smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cccc(C2=Nc3nnnn3[C@H](c3ccc(N(C)C)cc3)C2)c1 13127581 ACOUEIVZEKVRSQ-SFHVURJKSA-N 348.410 2.862 10 1 EFCF COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(O)c1)[N+](C)(C)CC2 73170018 LRDONTYFFJMAIU-OAHLLOKOSA-O 330.404 2.728 10 1 EFCF COc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(O)c1O 587786002 RAKBDPFVXFASSS-NCSHICFUSA-N 340.339 2.877 10 1 EFCF COc1ccc([C@@H]2CC(c3ccc(O)cc3O)=NN2C(C)=O)cc1 13560437 RFYFFRYDVWJAKD-KRWDZBQOSA-N 326.352 2.804 10 1 EFCF COc1cc(C=C2C[C@H](c3ccc(O)c(O)c3)OC2=O)ccc1O 2356702999 GYUUYVMTCTVWCZ-MRXNPFEDSA-N 328.320 2.884 10 1 EFCF COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952401 URQVNWRSGALGBH-YWPYICTPSA-N 340.345 2.922 10 3 EFCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)[C@H](O)[C@@H](O)C3 2356687904 FGOXTYTYQPKJAF-LSVSEMBBSA-N 348.439 2.702 10 1 EFCF Cc1cccc(COc2cccc(C=C3C(=O)N(C)N(C)C3=O)c2)c1 40938467 BXXDNNPSXWRBHO-UHFFFAOYSA-N 336.391 2.803 10 1 EFCF CNc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O 95552700 UTVAWPABNJHKFI-UHFFFAOYSA-N 333.391 2.603 10 1 EFCF COc1c(O)c(O)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc12 95099452 CCWULBVFGQYUNN-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro [N-]=[N+]=NCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O 98056253 RWZMURYMUDDFCW-CQSZACIVSA-N 338.408 2.808 10 1 EFCF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(CN(C)C)c1)[C@@H](C2)C3=O 587430157 RYSSBFPTXSOEAQ-MGPUTAFESA-N 339.391 2.951 10 1 EFCF Cn1c(O)c(N=NC(=O)CNC(=O)c2ccccc2)c2ccccc21 253961065 SMWSDNDXDFCVTL-UHFFFAOYSA-N 336.351 2.924 10 1 EFCF COC(=O)C[C@@H](CCc1ccc(N)cc1)c1cccc(C(=N)N)c1 13776603 HVOVFAYWILWKPI-OAHLLOKOSA-N 325.412 2.832 10 1 EFCF COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2O)cc1 6018461 JLFOFYBNCNKHOL-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro COC(=O)c1c(O)c(O)c2oc3c(C(=O)O)c(C)cc(O)c3c2c1C 14636959 SOYKXBPYKFFOBL-UHFFFAOYSA-N 346.291 2.804 10 1 EFCF biogenic O=C1c2c(ccc(O)c2O)CN1Cc1c(F)c(F)c(F)c(F)c1F 43121365 WORZSFJYFJHEDI-UHFFFAOYSA-N 345.223 2.949 10 1 EFCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CCO)cc1 28950953 IKQTWXBPWHWYRF-AWEZNQCLSA-N 343.379 2.802 10 1 EFCF CCN(CC)CC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O 72106806 MFKSJGDLVBJUHB-UHFFFAOYSA-N 342.420 2.804 10 1 EFCF O=c1cc(Cn2cc(-c3ccccc3)nn2)c2cc(O)c(O)cc2o1 1857569243 GRSCKQBWFRSZBD-UHFFFAOYSA-N 335.319 2.511 10 1 EFCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1c(O)cccc1O 963614866 ZMGIUAQMZBSSQW-JEOXALJRSA-N 329.396 2.913 10 1 EFCF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc(O)c(O)c1 138934438 GWOSVBIYCRFNFK-VYAXBHEWSA-N 340.331 2.626 10 1 EFCF CN1c2ccccc2C(=O)N2[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]12 96940370 QSOXJKJJXRDDNM-WMZOPIPTSA-N 347.374 2.768 10 1 EFCF COc1c(O)c(OC)c2c(c1OC)C(=O)c1ccc(C)cc1C2=O 205264006 ASKPZCVUFLMVIW-UHFFFAOYSA-N 328.320 2.502 10 1 EFCF CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(O)cc1O 72119591 YWKSWCPWMZECQV-AWEZNQCLSA-N 341.363 2.909 10 1 EFCF COc1cccc(-c2ccc(O)c(CN[C@H]3CN4CCC3CC4)c2)n1 20541661 WPZFRLQXQORDGY-SFHVURJKSA-N 339.439 2.647 10 1 EFCF COc1cc2c(cc1O)C=C[N+]1(C)c3cc4c(cc3[C@H](O)[C@@H]21)OCO4 238730657 PTMLJRCRTUQGGP-LFPSWIHMSA-O 340.355 2.839 10 1 EFCF CCCCNC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Cl)cc2c1 1857558787 CZWCBXUGAXZICA-UHFFFAOYSA-N 337.759 2.500 10 1 EFCF Cc1cc2nc(-c3ccc(N(C)CCO)cc3)[nH]c2cc1[N+](=O)[O-] 587192893 IWSDGGNSJUVXGS-UHFFFAOYSA-N 326.356 2.875 10 1 EFCF CCN1C(=O)C(=Cc2cnc3ccccc3c2)C(=O)N(CC)C1=S 13487538 UGFNDAZIFOHQDK-UHFFFAOYSA-N 339.420 2.614 10 1 EFCF COC(=O)CCC(=O)Nc1cccc2c1C(=O)C(=O)c1ccccc1-2 13862818 IIEJKCICXMCYNS-UHFFFAOYSA-N 337.331 2.624 10 1 EFCF COc1cccc2c1C(=O)c1c(cc3c(c1O)[C@H]1C=CO[C@H]1O3)C2=O 2356562761 CJXCSULUGMXGAP-HOGDKLEQSA-N 336.299 2.522 10 1 EFCF COc1ccc([C@H]2CC(=O)c3c(O)c(O)c(OC)c(OC)c3O2)cc1 14644123 XEIQAZDFOBLNSU-GFCCVEGCSA-N 346.335 2.830 10 1 EFCF biogenic CC=C1C[N@@+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356740790 JTTRGCDSKZRQPP-BWWCYPAOSA-O 339.459 2.885 10 1 EFCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Br)cc1 169325783 KMUKJMGGGCHKSR-CCEZHUSRSA-N 340.206 2.754 10 1 EFCF O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN3CCCCC3)cc21 6093800 XROLGGNNCOCURZ-UHFFFAOYSA-N 337.375 2.859 10 1 EFCF CC1(C)C=CC2=C(O)[C@@H]3C(=O)c4ccc(O)c(O)c4O[C@@H]3C=C2O1 2356508886 UETNIIAIRMUTSM-CHWSQXEVSA-N 328.320 2.732 10 1 EFCF CC1(C)O[C@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)cc21 14723349 QEJAXMORBPLKCL-IRXDYDNUSA-N 330.336 2.819 10 1 EFCF biogenic CN(CCc1ccccc1)S(=O)(=O)/C=C/c1ccc(O)c(O)c1 96917394 SWKRFPNPRZJQAP-ZRDIBKRKSA-N 333.409 2.573 10 1 EFCF CCN(CC)C(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299833228 MUYSINUJYSQTRQ-UHFFFAOYSA-N 329.377 2.711 10 1 EFCF COc1cc(-c2cccs2)cc([C@H]2N[C@H](C(=O)O)CS2)c1O 169699731 AXRSCCUEBKBDSD-HZMBPMFUSA-N 337.422 2.918 10 1 EFCF COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(O)c3O)O2)cc1OC 2356573619 UOCMSMUZLBMNRP-LBPRGKRZSA-N 346.335 2.830 10 1 EFCF COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)c(O)c3o2)cc1 14645345 ADYFNEZQEKBCJL-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic Oc1cc2c(cc1O)C[C@@H](N[C@@H]1CCc3cc(O)c(O)cc3C1)CC2 26971290 BMWKPVFVSFFXHB-IYBDPMFKSA-N 341.407 2.513 10 1 EFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1c(O)cccc1O 963614873 ZMGIUAQMZBSSQW-WYRIXSBYSA-N 329.396 2.913 10 1 EFCF [N-]=[N+]=NCCOc1nc(-c2ccccc2)cn2cc([N+](=O)[O-])nc12 1857575975 QWTYEUAFHCMSBV-UHFFFAOYSA-N 325.288 2.994 10 1 EFCF COc1cc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)ccc1O 653740485 VPKNINFLENOGKP-CQSZACIVSA-N 327.409 2.796 10 1 EFCF CNC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857649736 KCPGOVSYAZCUIV-QPJJXVBHSA-N 325.320 2.976 10 1 EFCF COc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)cc(O)c1O 587785848 OUENBTIKKKYUCR-GORDUTHDSA-N 326.308 2.851 10 1 EFCF CC[C@@H]1C(=O)N(CC2CC2)c2sc3cc(OC)ccc3[n+]2C1=O 100979453 PHGRQFXTRNKODV-GFCCVEGCSA-N 331.417 2.620 10 1 EFCF Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2c(F)cccc21 28955144 RRELKTPBPXLMHZ-YFHOEESVSA-N 326.356 2.691 10 1 EFCF CO[C]1C=C(O)C=C2OC(c3cc(O)c(O)c(OC)c3)=C(O)C=C12 2356845727 IWCKRDFDBBOWME-UHFFFAOYSA-N 331.300 2.807 10 1 EFCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2O 2356604606 AYSMCZZCSXVWLQ-DEWZPKMOSA-N 332.396 2.697 10 1 EFCF O=C(O)C=Cc1ccc(O)c(OC(=O)C=Cc2ccc(O)c(O)c2)c1 2356602638 HNNACUJXXGBKTG-UHFFFAOYSA-N 342.303 2.520 10 1 EFCF Oc1cc2c(cc1O)C[C@H](N[C@@H]1CCc3cc(O)c(O)cc3C1)CC2 26971281 BMWKPVFVSFFXHB-HZPDHXFCSA-N 341.407 2.513 10 1 EFCF COc1ccc([C@@H]2C[C@@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 28334950 PLCPLNHCNIZCSJ-IRXDYDNUSA-N 328.368 2.646 10 1 EFCF CC1(C)OC[C@]2(COc3cc(O)ccc3-c3cc(O)c(O)cc3C2)O1 238762788 FLHFHSWNWPIOFP-IBGZPJMESA-N 344.363 2.927 10 1 EFCF COc1ccccc1[C@H]1Oc2c(ccc(OC)c2OC)C(=O)C1=O 957811071 PTPQXHYTOUEWKE-MRXNPFEDSA-N 328.320 2.598 10 1 EFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(Br)c1 43022346 PFYVCRFMVXEPGW-UHFFFAOYSA-N 348.152 2.657 10 1 EFCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnccn1 96934711 RHROTMDHVLGYOZ-YLJYHZDGSA-N 332.359 2.734 10 1 EFCF CN1c2ccc(O)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 95553832 CMFSLFXNJPMLPH-SFHVURJKSA-N 335.363 2.726 10 1 EFCF COc1cc2c(cc1C)C(=O)c1cc(OC)c(O)c(OC)c1C2=O 238747774 ZKAKLMUHNWTICH-UHFFFAOYSA-N 328.320 2.502 10 1 EFCF COc1ccc(C(=O)C(=O)c2ccncc2)c2cc(C(F)(F)F)nn12 96933407 RARCYWIEWUGXNA-UHFFFAOYSA-N 349.268 2.822 10 1 EFCF COc1cc2c(cc1O)CC[N+]1(C)c3cc4c(cc3C[C@@H]21)OCO4 13411653 GQIZBMAOHHBERD-OOJLDXBWSA-O 326.372 2.920 10 1 EFCF COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[N+]1(C)CC2)OCO4 1760911 IKSFKQZQIJEJKE-OOJLDXBWSA-O 326.372 2.920 10 1 EFCF CN(C)c1ccc2c(c1)CCN=C(NCc1ccc3c(c1)OCO3)N2 1772590023 FUOHDPOMXHXQDK-UHFFFAOYSA-N 338.411 2.595 10 1 EFCF COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430695 AYVCNRSGQGHQAM-DYZYQPBXSA-N 343.291 2.503 10 1 EFCF COc1ccc(C[C@@H]2c3c(cc4c(c3O)OCO4)CCN2C)cc1O 2356525317 NBEREFJAHQPIOC-CYBMUJFWSA-N 343.379 2.607 10 1 EFCF COC(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587785957 QJNXLHFWHXKXPT-ZZXKWVIFSA-N 340.335 2.940 10 1 EFCF Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(-c3cccnc3)c(O)c1C2=O 1857744118 AHQCCRJAPLOMBQ-UHFFFAOYSA-N 347.326 2.949 10 1 EFCF COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2cc(C)ccc23)cc1 28824745 CCZABUCLUWARCL-KRWDZBQOSA-N 325.393 2.807 10 1 EFCF Cc1ccc(-c2cnnc(N3CC[C@H](c4ccc(O)c(O)c4)C3)n2)o1 103224716 KJSQMAGJTVYNTC-ZDUSSCGKSA-N 338.367 2.845 10 1 EFCF CN1CCc2cc(SCCN)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 72105045 JNVDABKFDDZRON-OAHLLOKOSA-N 342.464 2.901 10 1 EFCF [N-]=[N+]=N[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)OCc2ccccc2)C1 95578181 CRXCLWPNSBSEQL-GJZGRUSLSA-N 343.387 2.699 10 1 EFCF COc1cc2c(c(OC)c1OC)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 14643969 PYMGYISATWYZMS-CYBMUJFWSA-N 346.335 2.830 10 1 EFCF biogenic Cc1cc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1C 963529216 WBUIKYRYQSMVPW-OXJNMPFZSA-N 341.407 2.885 10 1 EFCF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(O)c(O)cc1[N+](=O)[O-] 27895924 PDDORDHFMPCGCN-UHFFFAOYSA-N 332.356 2.705 10 1 EFCF Oc1ccccc1CNc1ncnc2c1ncn2[C@@H]1CCCCO1 40915806 IXRFBXWSADAWMQ-AWEZNQCLSA-N 325.372 2.843 10 1 EFCF C[C@H]1[C@@H](O)[C@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@@]1(C)C/C=C1\C=COC1=O 85842027 RSQXBETWRJNQJN-SVEQYZLQSA-N 344.407 2.658 10 1 EFCF CN(C)c1ccc(/C=C2/C(=O)NC(=S)N=C2O)c2ccccc12 5848917 RINKBXGSJOUDMJ-UHFFFAOYSA-N 325.393 2.660 10 1 EFCF CCN1C(=O)C(=Cc2ccc3ccccc3n2)C(=O)N(CC)C1=S 13487539 CEVSPDKCGVMYJH-UHFFFAOYSA-N 339.420 2.614 10 1 EFCF COc1cc(OC)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1O 15113633 PAGBIWRSIJRQBS-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro COc1c(C(C)(C)C)cc(I)c(O)c1CN 29217801 WAHXPMLACCWAMI-UHFFFAOYSA-N 335.185 2.762 10 1 EFCF CC(C)N(C(C)C)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127454 OZXKYXIEUYQIDB-LGMDPLHJSA-N 327.297 2.793 10 1 EFCF COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169306255 URQVNWRSGALGBH-XUJVJEKNSA-N 340.345 2.922 10 1 EFCF Nc1ccc(Cn2cnc3c(Nc4cccc(N)c4)ncnc32)cc1 40878469 QBOMJXVMPXJVIM-UHFFFAOYSA-N 331.383 2.783 10 1 EFCF NC1CC(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 587255187 HPYZGHSWNLPGHB-UHFFFAOYSA-N 331.375 2.618 10 1 EFCF COc1cc(/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(O)c1O 587785169 IKJRNDSHVOYKIY-NSCUHMNNSA-N 344.298 2.990 10 1 EFCF COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)ccc1O 95586939 UOIUPQCZHQVCBO-INIZCTEOSA-N 326.352 2.804 10 1 EFCF Cc1oc2c(c1C(=O)Oc1cccc(N)c1)C(=O)c1ncccc1C2=O 1857749293 MKOXUBRPWVNUIR-UHFFFAOYSA-N 348.314 2.560 10 1 EFCF COc1ccccc1[C@H]1CC(c2ccc(O)cc2O)=NN1C(C)=O 13560436 FXEKMJTZMPNOOW-MRXNPFEDSA-N 326.352 2.804 10 1 EFCF O=C(O)/C=C/c1ccc(OC(=O)/C=C\c2ccc(O)c(O)c2)c(O)c1 115388363 OVUKUCRWFALMTD-JHYGWMECSA-N 342.303 2.520 10 1 EFCF C[C@]1(c2cc(Br)cc(N)c2O)NCCc2ccc(O)cc21 963328415 FRBAVZUKPNVFHZ-INIZCTEOSA-N 349.228 2.852 10 1 EFCF COc1cc(CC[C@H](O)CC(=O)CCc2ccccc2)cc(O)c1O 2356550429 TUHQEHSIXLLTOG-KRWDZBQOSA-N 344.407 2.992 10 1 EFCF COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC 26384916 FWOUQLGHGBDLRO-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF Cc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1F 586949605 WCEAETQVDRIPLL-UHFFFAOYSA-N 335.360 2.755 10 1 EFCF O=C(O)[C@@H]1CS[C@@H](c2ccccc2O)N1C(=O)Cc1ccccc1 71316183 USTFVYHTLAKPKJ-YOEHRIQHSA-N 343.404 2.662 10 1 EFCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnccn1 103152126 RHROTMDHVLGYOZ-PXNSSMCTSA-N 332.359 2.734 10 1 EFCF C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@]1(C)CC=C1C=COC1=O)[C@@]32C 2356683356 RSQXBETWRJNQJN-XFDYHLBWSA-N 344.407 2.658 10 1 EFCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCSCC1)C(C)(C)C2 26166208 LIDCCPLQDDNRQP-SFHVURJKSA-N 348.512 2.797 10 1 EFCF CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1 26398916 CQDSIOOEDHNMMW-OAHLLOKOSA-N 337.832 2.809 10 1 EFCF C[C@H]1CC[C@@H]2[C@@H](C)C[C@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@]4(C)C(=O)[C@]32C1=O 139868680 RHJYRZFDCONQET-GTMXLZBXSA-N 330.424 2.627 10 1 EFCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cc(F)ccc1O 45298811 DQVRBRDXPSTBGQ-CMPLNLGQSA-N 343.376 2.967 10 1 EFCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)[C@H](O)[C@H](O)C3 2356687902 FGOXTYTYQPKJAF-AEJVEICRSA-N 348.439 2.702 10 1 EFCF O=[N+]([O-])c1ccc(/N=N\[CH-]c2ccc(O)c(O)c2O)c([N+](=O)[O-])c1 169721404 RNCVSSKBXYBDGY-PFONDFGASA-N 333.236 2.914 10 1 EFCF O=C(NCc1ccccc1)c1ccc(=NCc2ccccc2O)[nH]c1 621430172 HYUCVGGNKTUHKE-UHFFFAOYSA-N 333.391 2.751 10 1 EFCF C[S@](=O)Cc1cc(O)c(O)c(Br)c1Br 13450609 SGHYNKCYNLIFCM-CQSZACIVSA-N 344.024 2.501 10 1 EFCF biogenic Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCCO2 299849362 LESBBTCESAFRCY-UHFFFAOYSA-N 337.339 2.934 10 1 EFCF Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1C 586948339 NPEDVBKKOXKGJH-UHFFFAOYSA-N 331.397 2.924 10 1 EFCF COc1ccc([C@@H]2Oc3ccc(OC)cc3C(=O)C2=O)c(OC)c1 957811067 OIKFKUVMPCDPDG-SFHVURJKSA-N 328.320 2.598 10 1 EFCF COC1=C(C)C(O)=C[C@H]2C(=O)c3c(ccc(OC)c3OC)C(=O)[C@H]12 1857568362 GWWHYDVXKNKFNB-QMTHXVAHSA-N 330.336 2.691 10 1 EFCF C[C@@H](CCc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)c(O)cc2C1 27895741 QJGRBAPTZFOLGD-BLLLJJGKSA-N 343.423 2.977 10 1 EFCF COc1ccc([C@H]2CC(c3c(O)cccc3O)=NN2C(C)=O)cc1 38208022 JMTSXXXUEHMHOF-OAHLLOKOSA-N 326.352 2.804 10 1 EFCF COc1ccc([C@H](C(C)=O)[C@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 28474353 MXEPKEONPZQGBS-GVDBMIGSSA-N 345.439 2.530 10 1 EFCF CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1O 28392727 AGDCSEZEBUOTSS-UHFFFAOYSA-N 331.328 2.883 10 1 EFCF COc1cc([C@H]2CC(=O)c3ccc(O)c(O)c3O2)cc(OC)c1O 14644103 XVYAMQQLTDMAMG-GFCCVEGCSA-N 332.308 2.527 10 1 EFCF biogenic CCN1C(=O)C(=Cc2cc3ccccc3[nH]2)C(=O)N(CC)C1=S 13487537 YARKVGIJCANAFV-UHFFFAOYSA-N 327.409 2.547 10 1 EFCF Oc1cc2c(cc1O)C[C@@H](N[C@@H]1CCc3c(ccc(O)c3O)C1)CC2 26975141 HUPOJGQXYGBNCR-LSDHHAIUSA-N 341.407 2.513 10 1 EFCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1cc(O)c(O)cc12 962958831 VBCYEEZKWLCUKF-WVDJIFEKSA-N 349.390 2.699 10 1 EFCF Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(-c3ccncc3)c(O)c1C2=O 1772623774 WSTIMBNUCNFLDI-UHFFFAOYSA-N 347.326 2.949 10 1 EFCF CC[C@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@@H]1CCO 238733022 ICMITNISGNSBIG-YDHLFZDLSA-N 335.444 2.737 10 1 EFCF C[C@@H]1CCC(/N=N\c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 100761840 NOSHROKZQHUIQG-GBXISSPXSA-N 326.356 2.864 10 1 EFCF COc1cc2c(cc1O)[C@H]1Cc3cc(OC)c(O)cc3[N+]1(C)CC2 14947541 CWKRVCVOEADAEH-IWPPFLRJSA-O 328.388 2.906 10 1 EFCF endogenous,in-man C[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2c(ccc(O)c2O)C1 27903748 LVQVVOQPRQRXGA-RISCZKNCSA-N 329.396 2.587 10 1 EFCF COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 59808081 URQVNWRSGALGBH-SLEUVZQESA-N 340.345 2.922 10 3 EFCF COC(=O)C=Cc1ccc(OC(=O)C=Cc2ccc(O)c(O)c2)cc1 2356520725 XJNYOFXGMISJPS-UHFFFAOYSA-N 340.331 2.903 10 1 EFCF COc1cc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)ccc1O 653740484 VPKNINFLENOGKP-AWEZNQCLSA-N 327.409 2.796 10 1 EFCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(ccn2C)N(C)[C@H]31 473089368 LHKZXYJNQMSYQE-SFHVURJKSA-N 336.395 2.662 10 1 EFCF COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)ccc1O 95588990 AHOSEJPZTBNBJQ-HNNXBMFYSA-N 326.352 2.804 10 1 EFCF CN(C)CCCn1c2c(c3ccncc3c1=O)C(=O)c1ccccc1-2 473166210 DUBDZPXTUCXYHD-UHFFFAOYSA-N 333.391 2.560 10 1 EFCF CC1(C)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21 14723346 QEJAXMORBPLKCL-DLBZAZTESA-N 330.336 2.819 10 1 EFCF biogenic CC(C)OCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12 20439874 DJZCQWXUWVBXPE-UHFFFAOYSA-N 329.444 2.613 10 1 EFCF Fc1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1 33964003 OEFFTIMBYVFOPK-UHFFFAOYSA-N 328.387 2.919 10 1 EFCF COc1c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC 14645358 DAUMHRNXYGHXIC-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic CCN(CC)c1ccc2nc3c(C(N)=O)cc(O)c(O)c3[o+]c2c1 95626780 YAWTZTDMXHYGQM-UHFFFAOYSA-O 328.348 2.618 10 1 EFCF in-vitro O=C(O)/C=C/C=C/c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587970117 YQSAOZNDBHJMCK-FCXRPNKRSA-N 344.326 2.992 10 1 EFCF CNC(=O)OCc1cc2c(c3c1CCC3)C(=O)c1ccccc1C2=O 26722097 SXEURVSJPHDUFL-UHFFFAOYSA-N 335.359 2.807 10 1 EFCF C[C@]1(c2c(O)ccc3ccc(=O)oc23)NCCc2nc3ccccn3c21 962985728 RFWJHSDRPIIUIH-HXUWFJFHSA-N 347.374 2.556 10 1 EFCF Cc1ccnc2c1CCN[C@@H]2c1cc(O)cc(Br)c1O 963072834 ONEQBPUFWFZKCA-CQSZACIVSA-N 335.201 2.799 10 1 EFCF Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12 5823187 KOOPTPZSWXUUGA-UHFFFAOYSA-N 338.411 2.583 10 1 EFCF COc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(O)c1O 587784863 DRTVTMZZAQXMRT-NSCUHMNNSA-N 338.323 2.735 10 1 EFCF COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)NCCc2cc(C)c(F)cc21 962092818 NPPMVOXNVRZZGS-AWEZNQCLSA-N 327.296 2.609 10 1 EFCF COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3 238774154 JKANPJDPAOUNFX-CABZTGNLSA-N 338.359 2.792 10 1 EFCF O=C(O)[C@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@@H]12 12437295 CNQHYGCDWZHJEN-VMAXQDLPSA-N 341.148 2.830 10 1 EFCF Cc1cc2cc(C(=O)N3CCN(C)CC3)c(=O)oc2c2ccccc12 73158827 IJUKEVSUCVGXSI-UHFFFAOYSA-N 336.391 2.642 10 1 EFCF O=C(Cc1ccccc1)Nc1nnc(-c2cccc(O)c2O)s1 1772650895 KCPMFAQRCVJCAB-UHFFFAOYSA-N 327.365 2.798 10 1 EFCF CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@@H](CC)CN2C1=O 103192109 ZJUPWBFRLDXKRX-FUHWJXTLSA-N 344.455 2.598 10 1 EFCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncnc1 103152133 VQBVCVBIKPSGSG-PXNSSMCTSA-N 332.359 2.734 10 1 EFCF COc1cccc([C@@H]2Oc3c(ccc(OC)c3OC)C(=O)C2=O)c1 957811090 RTSIGKAQYSABCY-INIZCTEOSA-N 328.320 2.598 10 1 EFCF CCOC(O)=C1C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 1857622337 GOYMUEVLRVMZTP-OAHLLOKOSA-N 327.388 2.846 10 1 EFCF Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1 42235572 CCMGGDMGKDRMHX-MDWZMJQESA-N 344.436 2.579 10 1 EFCF COc1ccc([C@H]2C[C@@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 28334957 PLCPLNHCNIZCSJ-DLBZAZTESA-N 328.368 2.646 10 1 EFCF C[C@H](CCc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)c(O)cc2C1 27895747 QJGRBAPTZFOLGD-MLGOLLRUSA-N 343.423 2.977 10 1 EFCF CS(=O)(=O)Nc1cc2c(cc1Sc1nccs1)C(=O)CC2 18923 DXXOQPYKXLLPNU-UHFFFAOYSA-N 340.451 2.795 10 1 EFCF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 102734008 GOYMUEVLRVMZTP-VZHUHSAUSA-N 327.388 2.846 10 1 EFCF COCCOc1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)c(O)c1 962912233 PATXEIJWPLPETH-LJQANCHMSA-N 345.443 2.509 10 1 EFCF COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)N(C)CC3 5966815 SBGGUHPMRYOCBS-ZDUSSCGKSA-N 327.380 2.867 10 1 EFCF biogenic COc1cc(/C=C/C(=O)OCCc2ccc(N)cc2)cc(OC)c1O 653905228 SJQZHYDGQNYRNG-VMPITWQZSA-N 343.379 2.791 10 1 EFCF COc1cccc(-c2ccc(O)c(CN[C@@H]3CN4CCC3CC4)c2)n1 20541658 WPZFRLQXQORDGY-GOSISDBHSA-N 339.439 2.647 10 1 EFCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)ccc(F)c1Cl 42921007 UBRJBFPKZQHPLQ-UHFFFAOYSA-N 339.681 2.826 10 1 EFCF CC(C)CC=CC=CC(=O)Nc1cc(CCC(N)=O)cc(O)c1O 2356787437 BKZNPLXRPFDMGJ-UHFFFAOYSA-N 332.400 2.613 10 1 EFCF O=S(=O)(O)c1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1 2356849718 PLXKLRPLQPIPQP-UHFFFAOYSA-N 342.354 2.595 10 1 EFCF O=C(c1cccc(-c2cccc(O)c2F)n1)c1c(O)ccc(O)c1O 1772644176 ZXJGGXQOVJKPLS-UHFFFAOYSA-N 341.294 2.941 10 1 EFCF CN(C)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1 653708767 UFZKKGZOFSEWIN-ZVDOUQERSA-N 336.435 2.998 10 1 EFCF COc1ccccc1[C@@H]1Oc2c(ccc(OC)c2OC)C(=O)C1=O 957811070 PTPQXHYTOUEWKE-INIZCTEOSA-N 328.320 2.598 10 1 EFCF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)C2=O)cc1OC 957811101 UJKZHEDMKMJQBP-SFHVURJKSA-N 328.320 2.598 10 1 EFCF COc1ccc([C@@H](C(C)=O)[C@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 28474355 MXEPKEONPZQGBS-BRWVUGGUSA-N 345.439 2.530 10 1 EFCF CC1(C)OC[C@@]2(COc3cc(O)ccc3-c3cc(O)c(O)cc3C2)O1 2356722361 FLHFHSWNWPIOFP-LJQANCHMSA-N 344.363 2.927 10 1 EFCF CCOC(=O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29556394 DCYZIFGZYMPQGX-UHFFFAOYSA-N 346.471 2.689 10 1 EFCF COc1ccc2c(c1O)CN1CCc3ccc(OC)c(O)c3[C@H]1C2 13383919 VHMQRLIBVWAVSO-CQSZACIVSA-N 327.380 2.771 10 1 EFCF biogenic COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3[C@@H](C2)N1C 95913765 PLGXEPHZCXBYLP-ZIAGYGMSSA-N 327.380 2.941 10 1 EFCF biogenic,in-vitro O=c1c2cn[nH]c2c2ncc(-c3cccnc3)cc2n1CC(F)(F)F 220795784 GQZKTDKWPYTAJL-UHFFFAOYSA-N 345.284 2.897 10 1 EFCF Oc1cccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c1O 40403309 VJXDPFWAUJYGFM-ZDUSSCGKSA-N 341.371 2.549 10 1 EFCF C[C@H]1CN(c2ccc([C@@H]3c4c(cnn4C)CCN3C)cc2)C[C@@H](C)O1 963955722 RXMZEUOIBOFSSJ-ZRGWGRIASA-N 340.471 2.611 10 1 EFCF COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(O)c1)[N+](C)(C)CC2 73170016 LRDONTYFFJMAIU-HNNXBMFYSA-O 330.404 2.728 10 1 EFCF COC(=O)/C=C/c1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)cc1 238741836 XJNYOFXGMISJPS-YOYBCKCWSA-N 340.331 2.903 10 1 EFCF O=C1O[C@H](CCCOC(=O)c2cccc(O)c2O)c2ccccc21 14638296 DAGIZOAZHVXGHS-OAHLLOKOSA-N 328.320 2.947 10 1 EFCF biogenic Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1ncccc1C2=O 1857747375 VHWNNLZQEJDHBH-UHFFFAOYSA-N 349.298 2.683 10 1 EFCF COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)[C@@H](O)C[C@H](C)C3 2356664122 JKANPJDPAOUNFX-SKDRFNHKSA-N 338.359 2.792 10 1 EFCF COc1cc(-c2cc(=O)c3c(O)c(O)cc(OC)c3o2)ccc1O 14645048 ZHIWPTGNBDHONL-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic CC(C)(CO)[C@@H](O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586902130 ZEMVLCYQPAAWNC-INIZCTEOSA-N 327.384 2.989 10 1 EFCF CN(C)CCOc1ccc2c(c1)c1c(n2C)C(=O)c2ccccc2C1=O 39159460 CBQJTFPWEIPUHW-UHFFFAOYSA-N 348.402 2.894 10 1 EFCF COc1ccc([C@@H]2CC(=O)c3c(O)c(O)c(O)c(C)c3O2)cc1OC 2356397456 NGVLGOZLUXRTOY-LBPRGKRZSA-N 346.335 2.836 10 1 EFCF O=C(Cc1ccccc1)Nc1nnc(-c2ccc(O)c(O)c2)s1 1772594072 GHZCLNZCBAMXHW-UHFFFAOYSA-N 327.365 2.798 10 1 EFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc(O)cc1O 963639583 VRLGMYVFUJWMNV-WYRIXSBYSA-N 329.396 2.913 10 1 EFCF COCC=Cc1ccc2c(c1)O[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 2356697227 NISIPBVHOHIEJR-RBUKOAKNSA-N 344.363 2.631 10 1 EFCF COc1cc2oc(=O)cc(-c3ccc(O)c(O)c3)c2c(OC)c1OC 49049363 HRWIZMNANYFZLN-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(O)cc3[N+]1(C)CC2 13411121 CWKRVCVOEADAEH-OOJLDXBWSA-O 328.388 2.906 10 1 EFCF endogenous,in-man COc1c(O)cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 40916497 IEJFUSGUOVNJQY-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1cc(O)c(O)cc12 962958809 VBCYEEZKWLCUKF-CFMSYZGJSA-N 349.390 2.699 10 1 EFCF Cc1c(O)cc2c3c1OC(C)(C)[C@H](O)[C@H]3c1ccc(O)c(O)c1CC2 14724880 DHRCRPRUHZMPFM-QFBILLFUSA-N 342.391 2.874 10 1 EFCF biogenic O=C(O)/C=C/C=C\c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587970130 YQSAOZNDBHJMCK-KYPMKJFLSA-N 344.326 2.992 10 1 EFCF CC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586947943 IUYZWMJMPZHJHI-UHFFFAOYSA-N 345.380 2.510 10 1 EFCF Oc1ccc(Cl)cc1C1=NN=C(c2cc(Cl)ccc2O)NN1 40566745 XOKDZWPYCKGJNN-UHFFFAOYSA-N 337.166 2.621 10 1 EFCF CN(CCO)c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587193255 WLSZGEXKGSMVIF-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O)c1O 24635 ZSNYQENLWQYSRK-UHFFFAOYSA-N 334.368 2.917 10 1 EFCF biogenic CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2[C@@H](C)COC[C@@H](C)N2C1=O 299849043 WJLCNOFZDJXVSZ-UOIKSKOESA-N 344.455 2.596 10 1 EFCF COc1cccc(-c2ccc(C)n2CC[C@@H]2C[C@@H](O)CC(=O)O2)c1 26835999 ZUJYBBIDWOTFNW-NVXWUHKLSA-N 329.396 2.929 10 1 EFCF O=C(O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653807562 OMEKCYIPYGMURA-UHFFFAOYSA-N 337.150 2.984 10 1 EFCF COc1cc(OC)c2c(=O)cc(-c3cc(O)c(O)cc3O)oc2c1 14644361 WXKGXWMNWILBGO-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic O=C(CNC(=O)Cc1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 15884913 LFVJIPYIFZTJII-DQRAZIAOSA-N 336.351 2.843 10 1 EFCF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(O)c3C[N+]1(C)CC2 13484851 BGWQPJBRBKPLEO-BJQOMGFOSA-O 342.415 2.915 10 1 EFCF biogenic,in-vitro CC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc(O)c(O)cc12)OCO4 27850308 IOPHCHYXEOUUJE-GJZGRUSLSA-N 339.347 2.570 10 1 EFCF OCC[C@H]1CN(Cc2ccccc2O)CCN1CCc1ccccc1 22930823 NAEHUUGKOQIUMO-FQEVSTJZSA-N 340.467 2.504 10 3 EFCF Cc1[nH]nc(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864588 JHSHLXNJAVXXGD-WUKNDPDISA-N 348.340 2.945 10 1 EFCF COC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O 73240385 UHTMAZRWXAPGRH-UHFFFAOYSA-N 335.315 2.510 10 1 EFCF C[C@H]1CCC(N=Nc2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 253636060 NOSHROKZQHUIQG-NSHDSACASA-N 326.356 2.864 10 1 EFCF CN(C)c1ccc(/C=C/c2ccc(OCC(CO)CO)cc2)cc1 13673434 VHRRJPOHFUXUPA-ONEGZZNKSA-N 327.424 2.903 10 1 EFCF COC(=O)C(/C=C\c1ccc(O)c(O)c1)=C/Cc1ccc(O)c(O)c1 207055738 ATJCRATUAFXRMR-LCGLIYDKSA-N 342.347 2.864 10 1 EFCF Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccccc2)c2ccccc21 6557261 SMWSDNDXDFCVTL-MRCUWXFGSA-N 336.351 2.924 10 1 EFCF O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2cccc(F)c2)n1 13490160 JRGOPWKNZPOVCK-INIZCTEOSA-N 329.283 2.565 10 1 EFCF Oc1ccccc1CNc1ncnc2c1ncn2[C@H]1CCCCO1 40915808 IXRFBXWSADAWMQ-CQSZACIVSA-N 325.372 2.843 10 1 EFCF C[C@@H]1CC[C@@H]2C(COC(=O)C=Cc3ccc(O)c(O)c3)=CO[C@@H](O)[C@@H]21 2356338324 UCVCMZDDRNSEDX-WKGKGZNRSA-N 346.379 2.549 10 1 EFCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnccn1 96934710 RHROTMDHVLGYOZ-XLIONFOSSA-N 332.359 2.734 10 1 EFCF [18F]c1ccc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1 102906873 OEFFTIMBYVFOPK-LRFGSCOBSA-N 327.390 2.919 10 1 EFCF CC(=O)N1CCC(C2=NNC(=O)[C@H]2/N=N\c2ccc(Cl)cc2)CC1 102552413 ZVRZZOUKHHKXIN-ZJYNUGOYSA-N 347.806 2.537 10 1 EFCF COc1ccc2c(c1O)C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4 138076582 BVZAZEKCBCUWRB-BJQOMGFOSA-O 340.399 2.930 10 1 EFCF COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC 26377125 ZBPNNDQNWJYZGC-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF O=C(/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])OCCc1ccccc1 40933593 HTWWDOZFJDDOEC-VQHVLOKHSA-N 329.308 2.805 10 1 EFCF CC(=O)C[C@@]1(c2cc(F)ccc2O)c2ccsc2CCN1C(N)=O 962712042 NJELMJUQDHHAEJ-KRWDZBQOSA-N 348.399 2.752 10 1 EFCF CCN1CCN([C@@H](C)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1 1857768669 NRRHKYHOELBLRH-ZDUSSCGKSA-N 338.407 2.754 10 1 EFCF CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(O)c(O)c1 95554815 CRUVGBHJXQLEMU-AUWJEWJLSA-N 338.319 2.602 10 1 EFCF COc1ccc([C@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 28474358 MXEPKEONPZQGBS-YESZJQIVSA-N 345.439 2.530 10 1 EFCF COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)[C@H](O)C[C@H](C)C3 2356664120 JKANPJDPAOUNFX-BXKDBHETSA-N 338.359 2.792 10 1 EFCF COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)NCCc2cc(C)c(F)cc21 962092824 NPPMVOXNVRZZGS-CQSZACIVSA-N 327.296 2.609 10 1 EFCF CCc1cc(C)cc(CC)c1C1C(=O)N2C[C@H](C)O[C@@H](C)CN2C1=O 103169493 IVGGGNFYTXGQKK-KBPBESRZSA-N 344.455 2.596 10 1 EFCF Oc1ccc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O 14658102 CGEORJKFOZSMEZ-AUECHSEWSA-N 342.347 2.902 10 1 EFCF in-man Cc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2n1 62233397 BUXJDQVINJKXFZ-QPEQYQDCSA-N 344.417 2.829 10 1 EFCF Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)ccc(O)c1C3=O 2356793911 HPZISMOSIDZPCI-UHFFFAOYSA-N 336.299 2.746 10 1 EFCF COc1cc2c3c(c1O)-c1cc(O)c(O)cc1C[C@H]3[N+](C)(C)CC2 73170022 UFWLCNFQCFRGHS-CYBMUJFWSA-O 328.388 2.709 10 1 EFCF CN1C(=O)/C(=C/Nc2ccc(-c3ccccc3)cc2)C(=O)NC1=S 1772604896 KDWFMDNLBBZUQB-RVDMUPIBSA-N 337.404 2.523 10 1 EFCF [N-]=[N+]=NC[C@@H](O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 653897439 QBWIKULRJCPSRJ-LLVKDONJSA-N 346.346 2.884 10 1 EFCF COc1cc2c(c(OC)c1OC)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 14643972 PYMGYISATWYZMS-ZDUSSCGKSA-N 346.335 2.830 10 1 EFCF biogenic NC/C(=C\c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1 103245084 DJJZBXJYHXRBOO-UYHGDYIZSA-N 325.364 2.697 10 1 EFCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(F)cc2O)N1 963220645 FDLOTQPIBCBPNY-AEFFLSMTSA-N 338.338 2.768 10 1 EFCF COc1cc(CCC(=O)OCCc2ccc(O)c(O)c2)ccc1O 202446451 MTWQICWVYXLKHU-UHFFFAOYSA-N 332.352 2.531 10 1 EFCF C[C@@H]1CCCCN1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127341 VFDMNWXGLRHYIB-FCZKIDGVSA-N 325.281 2.549 10 1 EFCF CCCOC(=O)Cc1ccc2c(c1O)C(=O)c1sccc1C2=O 299834788 UGSCATGCOJYCKE-UHFFFAOYSA-N 330.361 2.725 10 1 EFCF C[C@@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)c(O)cc2C1 6020985 XIUQIZRSMPOLOC-XHDPSFHLSA-N 329.396 2.587 10 1 EFCF COc1ccc(/C=C2\SC(=S)N([C@H](C)CC(=O)O)C2=O)cc1 473249609 WTABTDVWAZYVTE-ZPBHHCQCSA-N 337.422 2.760 10 1 EFCF COc1cc(-c2cc(=O)c3cc(O)c(O)cc3o2)cc2c1OCO2 238757385 JHGLIHMJUOGAMR-UHFFFAOYSA-N 328.276 2.609 10 1 EFCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1Cl 169325772 YTANWPOSHNOSGU-CCEZHUSRSA-N 340.752 2.554 10 1 EFCF C[C@@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2C3=O)cn1 1857574688 BLEBRXZVIYLZGW-NSHDSACASA-N 346.342 2.971 10 1 EFCF O=C1c2ccncc2C(=O)c2c1ccn2CCCCCCCN1CC1 71341982 JBPLMOADWFQADI-UHFFFAOYSA-N 337.423 2.925 10 1 EFCF COC(=O)C(/C=C\c1ccc(O)c(O)c1)=C\Cc1ccc(O)c(O)c1 207055693 ATJCRATUAFXRMR-PMHYICLJSA-N 342.347 2.864 10 1 EFCF C[C@@H]1CC[C@@H]2C(COC(=O)C=Cc3ccc(O)c(O)c3)=CO[C@H](O)[C@H]21 2356338322 UCVCMZDDRNSEDX-JKTDROMQSA-N 346.379 2.549 10 1 EFCF O=c1cccc2n1C[C@H]1C[C@H]2CN(/N=N/c2cccc([N+](=O)[O-])c2)C1 101879144 AJLINNFJNFIEIS-OBHHLLIZSA-N 339.355 2.875 10 1 EFCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCSCC1)C(C)(C)C2 26166213 LIDCCPLQDDNRQP-GOSISDBHSA-N 348.512 2.797 10 1 EFCF COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430694 AYVCNRSGQGHQAM-BTDLBPIBSA-N 343.291 2.503 10 1 EFCF O=C(O)/C=C\c1ccc(O)c(OC(=O)/C=C\c2ccc(O)c(O)c2)c1 116487335 HNNACUJXXGBKTG-VHOZIDCHSA-N 342.303 2.520 10 1 EFCF CN1c2cccc(O)c2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95553811 YYJASAMSXVTKAE-GOSISDBHSA-N 335.363 2.726 10 1 EFCF Nc1ccc(CNC(=O)c2cc3cc(Cl)ccc3nc2N)cc1 95569925 CEOKJKKVYDIZJW-UHFFFAOYSA-N 326.787 2.983 10 3 EFCF O=C(O)/C=C/c1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 115388367 OVUKUCRWFALMTD-FCXRPNKRSA-N 342.303 2.520 10 1 EFCF C[C@@H]1CC[C@@H]2C(COC(=O)C=Cc3ccc(O)c(O)c3)=CO[C@@H](O)[C@H]21 2356338323 UCVCMZDDRNSEDX-KLRFSYFPSA-N 346.379 2.549 10 1 EFCF COc1cc(O)ccc1[C@@H]1CC(c2ccccc2O)=NN1C(C)=O 95586552 NXUQCTWLTYKOJE-INIZCTEOSA-N 326.352 2.804 10 1 EFCF C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@]1(C)CC=C1C=COC1=O)[C@]32C 2356683354 RSQXBETWRJNQJN-AVZCISJSSA-N 344.407 2.658 10 1 EFCF O=C(O)/C=C/c1ccc2c(c1)OC(=O)C[C@H](c1ccc(O)c(O)c1)O2 238739256 ZNBCFJJIRVOXTC-OYLQIYHASA-N 342.303 2.625 10 1 EFCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 14761013 NWLIPBOFAFTPJE-UHFFFAOYSA-N 340.331 2.793 10 1 EFCF biogenic COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)ccc1O 95586940 UOIUPQCZHQVCBO-MRXNPFEDSA-N 326.352 2.804 10 1 EFCF Cc1ccc(CCCNC(=O)Cc2cc(O)c(O)c(O)c2)cc1C 13648937 LQUWDBUMGKNVME-UHFFFAOYSA-N 329.396 2.712 10 1 EFCF COc1cc(-c2cccs2)cc([C@H]2N[C@@H](C(=O)O)CS2)c1O 169699729 AXRSCCUEBKBDSD-YGRLFVJLSA-N 337.422 2.918 10 1 EFCF Nc1ccc2oc(=O)c3c4c(oc3c2c1)C(=O)c1c(O)cccc1C4=O 1857643736 FSQVKBOMGAMSPV-UHFFFAOYSA-N 347.282 2.602 10 1 EFCF CCc1ccc(C(=O)NC2=N[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1 6817802 DDHJVVMYIMOFEI-QGZVFWFLSA-N 335.407 2.904 10 1 EFCF CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCO3)c(O)cc1O 72120054 ULCHUCJOYLEPEM-ZDUSSCGKSA-N 327.336 2.867 10 1 EFCF COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1C2 43023227 QDELRKZETAHHEG-PJFSTRORSA-N 328.364 2.763 10 1 EFCF NC(=S)/N=N/c1c(O)[nH]c2ccc(I)cc12 6094108 HCLAUXCJQUNKKP-BUHFOSPRSA-N 346.153 2.805 10 1 EFCF CC=C1CN(C)[C@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@H]1[C@H]2CO 2356624585 HPORORPTQZAFFI-SUMDDJOVSA-N 338.451 2.792 10 1 EFCF CCn1cc(C(=O)NCc2ccc(N)cc2)c(=O)c2cc(F)ccc21 43063075 IMEBUGGCICOOOG-UHFFFAOYSA-N 339.370 2.673 10 1 EFCF COc1cc(O)ccc1[C@H]1CC(c2ccccc2O)=NN1C(C)=O 95586553 NXUQCTWLTYKOJE-MRXNPFEDSA-N 326.352 2.804 10 1 EFCF COC/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 38306908 NISIPBVHOHIEJR-XVXNLHAJSA-N 344.363 2.631 10 1 EFCF O=C(O)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3O)nc2c1O 71295042 QDJILHXEUOUJEX-QHHAFSJGSA-N 339.303 2.926 10 1 EFCF C[C@H]1CCC(/N=N/c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 100761845 NOSHROKZQHUIQG-JPFDUWQRSA-N 326.356 2.864 10 1 EFCF OCCN(CCO)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 103262328 CCMQHGGONWWALH-UHFFFAOYSA-N 341.407 2.516 10 1 EFCF COC(=O)C(/C=C/c1ccc(O)c(O)c1)=C/Cc1ccc(O)c(O)c1 207055786 ATJCRATUAFXRMR-UDVKKLRWSA-N 342.347 2.864 10 1 EFCF COc1cc(OC)c2c(=O)c(-c3cc(O)c(O)c(O)c3)coc2c1 238782312 RWFPHZZVULHJDJ-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CCCc1cc(C)cc(CCC)c1C1C(=O)N2CCOCCN2C1=O 103168566 LRCOIMCVIAYEAG-UHFFFAOYSA-N 344.455 2.600 10 1 EFCF O=C1O[C@@H](CCCOC(=O)c2cccc(O)c2O)c2ccccc21 14638294 DAGIZOAZHVXGHS-HNNXBMFYSA-N 328.320 2.947 10 1 EFCF biogenic CN[C@@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 169325175 VCAIQJBZGWLUNG-ZDUSSCGKSA-N 333.384 2.627 10 1 EFCF CN(C)Cc1c(O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O 5932644 DSFNYWHDFYBZEX-UHFFFAOYSA-N 334.375 2.721 10 1 EFCF COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1O 14644938 QXSBUADZOSXXPZ-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic O=C(CCCc1ccc(O)c(O)c1)C[C@H](O)Cc1ccc(O)cc1 49112305 UKIXAZNFQCSDPF-QGZVFWFLSA-N 330.380 2.689 10 1 EFCF COc1cccc2c1C(=O)c1c(cc3c(c1O)[C@H]1C=CO[C@@H]1O3)C2=O 2356562760 CJXCSULUGMXGAP-AYLIAGHASA-N 336.299 2.522 10 1 EFCF CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1ncccc1C2=O 40848729 IJWMQVWAYYZESL-UHFFFAOYSA-N 334.331 2.595 10 1 EFCF CN(C)c1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O 95556588 KSQCBBDFOVKCHF-UHFFFAOYSA-N 347.418 2.628 10 1 EFCF COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952399 URQVNWRSGALGBH-LALPHHSUSA-N 340.345 2.922 10 3 EFCF CN[C@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 169325178 VCAIQJBZGWLUNG-CYBMUJFWSA-N 333.384 2.627 10 1 EFCF COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(OC)c1)[C@@H](C2)C3=O 587445147 XJIWNJPSDRZONP-VOJFVSQTSA-N 328.320 2.604 10 1 EFCF Nc1ccc(Oc2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 586909104 FETRVKVGNNREBC-OAHLLOKOSA-N 325.368 2.895 10 1 EFCF COc1cc(O)c2c(=O)cc(-c3cccc(O)c3O)oc2c1OC 14644263 DOUYCUNGVRONJX-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587192753 BRSILHIJJTWGGT-UHFFFAOYSA-N 347.321 2.980 10 1 EFCF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)cc(O)c1O 587785201 JEZYPOUQLBOHMJ-NSCUHMNNSA-N 340.335 2.924 10 1 EFCF CCC1(CC)C[C@@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O 103202962 ZHZXQDPAOGEJRD-SFHVURJKSA-N 346.471 2.939 10 1 EFCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cccc(F)c1O 1857566669 LYEHTVOPAFYMHR-UHFFFAOYSA-N 328.391 2.764 10 1 EFCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2O 2356604605 AYSMCZZCSXVWLQ-AMVTXUCVSA-N 332.396 2.697 10 1 EFCF COc1c(O)cccc1-c1coc2cc(O)c(O)c(OC)c2c1=O 14645874 RIBMMGADYCZACO-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro C[C@@H](CCc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)c(O)cc2C1 27895753 QJGRBAPTZFOLGD-LRDDRELGSA-N 343.423 2.977 10 1 EFCF Cc1cccc(O)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230365 XTCWAOVPNCZFKE-APWZRJJASA-N 334.375 2.937 10 1 EFCF CCOC(=O)CN1C=C(CO)C(=CN=Nc2ccccn2)C(O)=C1C 1857567298 OQDFTULRDZIWML-UHFFFAOYSA-N 344.371 2.594 10 1 EFCF CCn1c2c(c3c(C(=O)OC)c(O)ccc31)C(=O)c1ccccc1C2=O 1663100 FADTUYZHAZAKNY-UHFFFAOYSA-N 349.342 2.929 10 1 EFCF O=Cc1cc(Cl)cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1O 962901794 TUKPBVUSXGDZEB-LSDHHAIUSA-N 349.745 2.686 10 1 EFCF COc1cc2c(cc1O)CN1CCc3ccc(OC)c(O)c3[C@H]1C2 2356781553 IVAIKLPWWORRPT-CQSZACIVSA-N 327.380 2.771 10 1 EFCF O=C(/C=C/c1ccc(O)c(O)c1)NCCc1c[nH]c2ccc(O)cc12 43078615 YXKFALZVRFVXFA-QHHAFSJGSA-N 338.363 2.657 10 1 EFCF in-vitro O=C(CCSC(=S)NCc1cccnc1)NCc1ccccc1 653711407 IHFFUOFGRLSSFG-UHFFFAOYSA-N 345.493 2.896 10 1 EFCF COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952400 URQVNWRSGALGBH-JMSVASOKSA-N 340.345 2.922 10 1 EFCF O=C(Cn1nnc(-c2ccccc2)n1)/N=N\c1c(O)[nH]c2ccccc12 18096502 CAHDXYSYCHQZOR-VXPUYCOJSA-N 347.338 2.838 10 1 EFCF Cc1ccc(C(=O)NS(=O)(=O)c2ccc(N=NN(C)C)cc2)cc1 253928437 GPKAAZRBYYBNGI-UHFFFAOYSA-N 346.412 2.674 10 3 EFCF CN(C)c1ccc([C@H](C#N)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 43737482 NRSULNRVANKMOG-SYNHAJSKSA-N 348.450 2.598 10 1 EFCF biogenic COc1cc2oc(-c3ccc(O)c(O)c3)c(C)c(=O)c2c(O)c1OC 13822665 YQPYXDOLUNYTFZ-UHFFFAOYSA-N 344.319 2.902 10 1 EFCF Cc1ccnc2c1CCN[C@@H]2c1cc(O)c(O)c(Br)c1 963071291 QNSSAODMCSTORM-CYBMUJFWSA-N 335.201 2.799 10 1 EFCF Cc1cn2cc(/C=C/c3ccc(N4CCNCC4)cc3)nc2c(C)n1 1772582236 XGEJXTPJMAJMIF-ZZXKWVIFSA-N 333.439 2.926 10 1 EFCF CN1c2cccc(O)c2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 95553812 YYJASAMSXVTKAE-SFHVURJKSA-N 335.363 2.726 10 1 EFCF Cc1cccc2c1/C(=C/c1ccc(N3CCN(C=O)CC3)cc1)C(=O)N2 13780151 GOJTWENDGDLCOU-AQTBWJFISA-N 347.418 2.766 10 1 EFCF COc1ccc2c(c1O)[C@H]1Cc3cc4c(cc3CN1CC2)OCO4 2356867161 VSCSJMRNBGGEEP-CQSZACIVSA-N 325.364 2.785 10 1 EFCF COCCCn1nc2c3c(ccc2c1O)C(=O)c1ccccc1C3=O 101509881 AFBOHANBLFMODT-UHFFFAOYSA-N 336.347 2.554 10 1 EFCF Cc1ccc(C)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12 586949640 WVAYRYXBWOYGCW-UHFFFAOYSA-N 331.397 2.924 10 1 EFCF COc1ccc(-c2ccc(C)n2CC[C@@H]2C[C@@H](O)CC(=O)O2)cc1 26835340 ZQIWXGRLHMBHIH-NVXWUHKLSA-N 329.396 2.929 10 1 EFCF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(N)cc1 29468987 KYOIJVWABZUHRV-UHFFFAOYSA-N 336.321 2.542 10 1 EFCF Nc1ccc(Oc2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)cc1 586909092 FETRVKVGNNREBC-HNNXBMFYSA-N 325.368 2.895 10 1 EFCF COc1c(-c2ccc(O)c(O)c2)oc2c(C)c(O)cc(O)c2c1=O 14647595 SAQWNSJWKCJGKQ-UHFFFAOYSA-N 330.292 2.599 10 1 EFCF biogenic C[C@@H]1CCC(N=Nc2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 253636057 NOSHROKZQHUIQG-LLVKDONJSA-N 326.356 2.864 10 1 EFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc(O)cc1O 963639579 VRLGMYVFUJWMNV-NSPYISDASA-N 329.396 2.913 10 1 EFCF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccccn2)n1 209440854 GJMIKBOBCKGXMT-CVEARBPZSA-N 348.406 2.728 10 1 EFCF COc1cc([C@H]2Oc3cc(O)cc(OC)c3C=C2O)cc(O)c1O 2356829413 IYESOFZZRDVMJL-QGZVFWFLSA-N 332.308 2.853 10 1 EFCF O=C(O)C=Cc1ccc2c(c1)OC(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356529258 ZNBCFJJIRVOXTC-OAHLLOKOSA-N 342.303 2.625 10 1 EFCF O=C1NN=C(c2ccccc2)/C1=C/Nc1cc(-c2ccccc2)[nH]n1 72175027 UWQQOSNATRNJRP-QINSGFPZSA-N 329.363 2.907 10 1 EFCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cc(F)cc(F)c1O 1857575906 DJHBMAWSCJBLDW-UHFFFAOYSA-N 346.381 2.903 10 1 EFCF COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)cc1 14645381 VPLTZBCCUJNRIE-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic,in-vitro COc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OC 653894802 LTTJFHZEQVOCJR-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](C2)C3=O 587445144 XJIWNJPSDRZONP-BBATYDOGSA-N 328.320 2.604 10 1 EFCF O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)cc1 137816435 BKHDOBRYLMZANE-INIZCTEOSA-N 330.380 2.689 10 1 EFCF Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc(N(C)C)cc1 4083186 VLXUNLGVUYYQJT-SFHVURJKSA-N 325.412 2.795 10 3 EFCF C[C@@H]1CCC(/N=N/c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 100761841 NOSHROKZQHUIQG-VFGLMNNVSA-N 326.356 2.864 10 1 EFCF [N-]=[N+]=N[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95603391 QSJHAHLEAGIDSS-NEPJUHHUSA-N 334.292 2.854 10 3 EFCF COc1ccc(N2CCN(CCCCNC(=O)C(C)(C)C)CC2)cc1 28237063 GFGNDIHZNWSGLN-UHFFFAOYSA-N 347.503 2.760 10 1 EFCF COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(O)c2)ccc1O 238738146 OBLBLCVQGCYZIH-UDORUHSDSA-N 344.363 2.887 10 1 EFCF O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1nncs1 26283508 VLKAURWKADMDBL-POHAHGRESA-N 334.451 2.809 10 1 EFCF CCNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O 72178614 QTYAYZAWGTXIHF-UHFFFAOYSA-N 325.364 2.546 10 1 EFCF CC(C)CN1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(CC(C)C)C1=O 299859063 HJQUBZLZMYZANN-UHFFFAOYSA-N 344.411 2.878 10 1 EFCF CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1ccc(Cl)cc1Cl 84715590 BYVWRUPWZYBGOZ-FFZUDHDGSA-N 330.200 2.907 10 1 EFCF NC(=S)N=Nc1c(O)[nH]c2ccc(I)cc12 261104070 HCLAUXCJQUNKKP-UHFFFAOYSA-N 346.153 2.805 10 1 EFCF CC[C@H]1C(=O)N(CC2CC2)c2sc3cc(OC)ccc3[n+]2C1=O 100979449 PHGRQFXTRNKODV-LBPRGKRZSA-N 331.417 2.620 10 1 EFCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(N)ccc2N(C)[C@@H]31 95556270 JBWWYXLPFLMSDT-LJQANCHMSA-N 348.406 2.906 10 1 EFCF O=C(O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])c2cccnc2c1O 95595856 RHWAPLGVGWUENF-YPMHNXCESA-N 345.355 2.582 10 1 EFCF CCN(CC)CCc1c(C)[nH]c(/C=C2\C(=O)NN=C2C2CC2)c1C 28395648 WDHJAHXBAARWKL-WJDWOHSUSA-N 328.460 2.795 10 1 EFCF COc1ccc(-c2cc3cc(O)c(O)cc3oc2=O)c(OC)c1O 15117926 MXTFMYZBXCDWNM-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1cc(O)c(O)cc12 962958817 VBCYEEZKWLCUKF-FVINQWEUSA-N 349.390 2.699 10 1 EFCF COc1ccc2c(c1)C(=O)C(=O)[C@H](c1cccc(OC)c1OC)O2 957811069 PCHFOJRNQYBURC-SFHVURJKSA-N 328.320 2.598 10 1 EFCF CCCCN1C(=O)NC(=O)/C(=C/N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1=O 1893884 CZDQBOZKBPDLHX-ZSSZLUGUSA-N 347.459 2.553 10 1 EFCF C[C@H]1CCC[C@@H](C)N1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127336 ZHJFJBMCTPEVTL-ABVBYKGISA-N 339.308 2.937 10 1 EFCF COc1cc(-c2cccs2)cc([C@@H]2N[C@H](C(=O)O)CS2)c1O 169699730 AXRSCCUEBKBDSD-IINYFYTJSA-N 337.422 2.918 10 1 EFCF C[C@H]1CCC[C@H](C)N1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127337 ZHJFJBMCTPEVTL-CRMSFDKBSA-N 339.308 2.937 10 1 EFCF C[C@H]1CC[C@@H]2C(COC(=O)/C=C/c3ccc(O)c(O)c3)=CO[C@@H](O)[C@H]12 84154210 UCVCMZDDRNSEDX-NMVCSJPFSA-N 346.379 2.549 10 1 EFCF biogenic,in-vitro COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434386 UHWDYDFNWVJFEX-BTDLBPIBSA-N 343.291 2.503 10 1 EFCF COc1ccc([C@@H]2CC(c3c(O)cccc3O)=NN2C(C)=O)cc1 38208021 JMTSXXXUEHMHOF-HNNXBMFYSA-N 326.352 2.804 10 1 EFCF COc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2C 1857624332 SNPFPWPVICIARV-UHFFFAOYSA-N 341.392 2.930 10 1 EFCF COc1cc(OC)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192849 GQZMUJQOXSPQEN-UHFFFAOYSA-N 327.384 2.676 10 1 EFCF CO/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)cc1 45356603 CYLIDDWGNZLNAO-JMAVEDQASA-N 327.336 2.578 10 1 EFCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CCO)cc1 28950955 IKQTWXBPWHWYRF-CQSZACIVSA-N 343.379 2.802 10 1 EFCF O=C(O)/C=C\c1ccc(O)c(OC(=O)/C=C/c2ccc(O)c(O)c2)c1 116487341 HNNACUJXXGBKTG-KYPMKJFLSA-N 342.303 2.520 10 1 EFCF O=C(O)/C=C\c1ccc(OC(=O)/C=C\c2ccc(O)c(O)c2)c(O)c1 115388361 OVUKUCRWFALMTD-VHOZIDCHSA-N 342.303 2.520 10 1 EFCF Nc1nn(C(=O)c2cccs2)c(N)c1/N=N/c1ccc(O)cc1 299858596 DWRWKUVQAONNLC-ISLYRVAYSA-N 328.357 2.919 10 1 EFCF CC=C1C[N@+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356740792 JTTRGCDSKZRQPP-IZRGXTEASA-O 339.459 2.885 10 1 EFCF [N-]=[N+]=N[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95603392 QSJHAHLEAGIDSS-RYUDHWBXSA-N 334.292 2.854 10 3 EFCF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)cc(O)c1O 587785199 JEZYPOUQLBOHMJ-IHWYPQMZSA-N 340.335 2.924 10 1 EFCF CNC(=O)CCc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857648148 HPHXXPQXWIVKMM-UHFFFAOYSA-N 327.336 2.895 10 1 EFCF O=C(O)C(C=Cc1ccc(O)c(O)c1)=CCc1ccc(O)c(O)c1 2356407220 SPTDWMUCTKUJRO-UHFFFAOYSA-N 328.320 2.776 10 1 EFCF COc1ccc(C[C@@H]2c3c(ccc(OC)c3O)CCN2C)cc1O 13509364 KLOWVUBJQSKTTK-CQSZACIVSA-N 329.396 2.887 10 1 EFCF biogenic CCN(CC)c1ccc(/C=C/C=C2\C(=O)NC(=S)N=C2O)cc1 5499460 PQAJYKROAHMHFM-AATRIKPKSA-N 329.425 2.844 10 1 EFCF O=C(O)C(=C\Cc1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1 238735363 SPTDWMUCTKUJRO-GBEJEUBCSA-N 328.320 2.776 10 1 EFCF O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc2ccccc2c1 200216218 AVNPDSFHVAPZTI-UHFFFAOYSA-N 343.404 2.772 10 1 EFCF CC(=O)[C@@H]1COC[C@@H]2[C@@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356401374 BCDGQPTVEFBAKZ-YESPVIGUSA-N 338.451 2.947 10 1 EFCF COc1ccc(-c2ccc(C(=S)N3CCN(C(C)=O)CC3)o2)cc1 190371 PUMZLQPHCLFCCV-UHFFFAOYSA-N 344.436 2.795 10 3 EFCF COc1ccc2c(c1O)[C@H]1Cc3cc4c(cc3[C@@H](C2)N1C)OCO4 238782215 TWCBVLWZBWYIRW-ZIAGYGMSSA-N 325.364 2.956 10 1 EFCF C[C@@H]1CN(c2ccc([C@H]3c4c(cnn4C)CCN3C)cc2)C[C@@H](C)O1 963955719 RXMZEUOIBOFSSJ-CLCXKQKWSA-N 340.471 2.611 10 1 EFCF COc1ccc([C@H]2C[C@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 28334968 PLCPLNHCNIZCSJ-IAGOWNOFSA-N 328.368 2.646 10 1 EFCF COc1ccc([C@H]2C[C@@H](c3ccccc3O)NN2C(C)=O)cc1OC 28137019 VRWFAJSOLIRHDX-JKSUJKDBSA-N 342.395 2.949 10 1 EFCF Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(C)c12 28954982 WPMQUOZBXYBLOJ-GHXNOFRVSA-N 337.408 2.564 10 1 EFCF CC(=Cc1ccc(O)c(O)c1)C(=Cc1ccc(O)c(O)c1)NC=O 2356782154 CYXCQKFRBSLZGY-UHFFFAOYSA-N 327.336 2.699 10 1 EFCF CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cccc(O)c1-2 71315996 FMPGCULIEWIVMH-UHFFFAOYSA-N 348.402 2.870 10 1 EFCF O=C(Cn1ccnc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 299862601 JWYTYYUDRMSNJR-SFHVURJKSA-N 346.390 2.967 10 1 EFCF O=C(O)c1cc2cc(O)c(O)cc2c(Cc2ccc3c(c2)OCO3)n1 13490144 KRXBYCWBZPUTOX-UHFFFAOYSA-N 339.303 2.664 10 1 EFCF CCc1noc(-c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)n1 299831561 CQOGHQKGBYSQMD-UHFFFAOYSA-N 326.333 2.842 10 1 EFCF CCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 5421637 ZYYMXDCJUUXDOG-FDQGKXFDSA-N 325.456 2.665 10 1 EFCF O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(O)c(O)c1O 1772613965 NDIMTZCJOPCTRD-UHFFFAOYSA-N 341.294 2.941 10 1 EFCF Cc1ccnc2c1CCN[C@]21CC(C)(C)Oc2cc(O)cc(O)c21 963077199 VQFZQPXEQWZTKB-IBGZPJMESA-N 326.396 2.752 10 1 EFCF C[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2cc(O)c(O)cc2C1 6036804 XIUQIZRSMPOLOC-IAQYHMDHSA-N 329.396 2.587 10 1 EFCF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(O)c1O 587400725 SPMLEDITOWIPIU-ZDUSSCGKSA-N 345.351 2.712 10 1 EFCF COc1ccc2c(c1)[C@]1(CCN2C)NCCc2nc3ccccn3c21 962987215 VFFVMROCSHZPAU-FQEVSTJZSA-N 334.423 2.572 10 1 EFCF COc1cc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc(OC)c1OC 14645304 AZIVITUBVOBEEA-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic COc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1 95564700 MSHLMDVNUXHYDV-UHFFFAOYSA-N 340.423 2.789 10 1 EFCF COc1cc2c3c(c1O)-c1cc(O)c(O)cc1C[C@@H]3[N+](C)(C)CC2 73170019 UFWLCNFQCFRGHS-ZDUSSCGKSA-O 328.388 2.709 10 1 EFCF CC1(C)C=CC2=C(O)[C@H]3C(=O)c4ccc(O)c(O)c4O[C@@H]3C=C2O1 238738964 UETNIIAIRMUTSM-OLZOCXBDSA-N 328.320 2.732 10 1 EFCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 45334349 PXVCMNMIWGEPNV-JYRVWZFOSA-N 341.279 2.692 10 1 EFCF CCN1CCN([C@H](C)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1 1857768667 NRRHKYHOELBLRH-CYBMUJFWSA-N 338.407 2.754 10 1 EFCF COc1cc([C@H]2CC(c3ccc(O)cc3O)=NN2C(C)=O)ccc1O 95590637 YLYVYODJVSVBNF-OAHLLOKOSA-N 342.351 2.510 10 1 EFCF COc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(O)c1O 587786007 RAKBDPFVXFASSS-WAUBUAMCSA-N 340.339 2.877 10 1 EFCF O=C(Nc1cc(O)c(O)cc1Br)c1ccc(O)c(O)c1 142491135 CSTGCMOOYZBMLI-UHFFFAOYSA-N 340.129 2.524 10 1 EFCF COc1cc2c(cc1OC)CN1CCc3cc(O)c(O)cc3[C@H]1C2 205509736 BTUIZHMEGKWEMO-OAHLLOKOSA-N 327.380 2.771 10 1 EFCF COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 28824730 VLEWRHSYUKZHIL-QGZVFWFLSA-N 325.393 2.807 10 1 EFCF O=C(O)/C=C/c1ccc(O)c(OC(=O)/C=C\c2ccc(O)c(O)c2)c1 116487337 HNNACUJXXGBKTG-JHYGWMECSA-N 342.303 2.520 10 1 EFCF O=C1C(=O)C(c2coc3ccccc23)C(=O)C(=O)C1c1ccccc1 169716547 PAFBZUOIUMXRTE-UHFFFAOYSA-N 332.311 2.590 10 1 EFCF CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(S(C)(=O)=O)cc1 1857655820 CANKVYSTXRXRBZ-ATVHPVEESA-N 340.404 2.896 10 1 EFCF CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95555282 WYHQVEYNRLUUKN-GOSISDBHSA-N 334.379 2.603 10 1 EFCF COc1cccc2cc3c(nc12)[C@H](c1cc(CO)ccc1O)NCC3 963054689 JERAQVKFAMSJBT-FQEVSTJZSA-N 336.391 2.676 10 1 EFCF COc1cc2c(c(O)c1O)C[C@@H]1C(C)(C)c3ccccc3[C@@]1(O)C2=O 13383530 QMADYYQXCAFLSS-QRWLVFNGSA-N 340.375 2.640 10 1 EFCF biogenic COc1cc(/C=C\c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(O)c1O 587784864 DVMFNWOCPFWMBK-IHWYPQMZSA-N 344.298 2.990 10 1 EFCF CCNCc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O 29348158 BFAJOQADRGVWLI-UHFFFAOYSA-N 325.364 2.589 10 1 EFCF COc1c(-c2ccc(O)c(C)c2)oc2cc(O)c(O)c(O)c2c1=O 238737002 FFWOPSHZQHKRCZ-UHFFFAOYSA-N 330.292 2.599 10 1 EFCF CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccc(O)c1O 653819638 ISAIKWSYKJAIMB-RAXLEYEMSA-N 332.425 2.830 10 1 EFCF COc1ccc2c(c1O)CN1CCc3ccc(OC)c(O)c3[C@@H]1C2 31415280 VHMQRLIBVWAVSO-AWEZNQCLSA-N 327.380 2.771 10 1 EFCF biogenic CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1cc(Cl)ccc1Cl 102745236 OKQBWLBBYQONMR-FFZUDHDGSA-N 330.200 2.907 10 1 EFCF CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@@H](CC)CN2C1=O 103183057 OMTMWMAYFJRXBJ-RDJZCZTQSA-N 330.428 2.556 10 1 EFCF COc1cc([C@@H]2CC(c3ccc(O)cc3O)=NN2C(C)=O)ccc1O 95590636 YLYVYODJVSVBNF-HNNXBMFYSA-N 342.351 2.510 10 1 EFCF O=C(O)CN1C(=O)/C(=C/c2cc(-c3ccccc3)on2)SC1=S 62233331 VJTLPGXZPWOGFN-GHXNOFRVSA-N 346.389 2.627 10 1 EFCF O=C(O)CCN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S 66166977 ZESLDEAOZVJGQU-YHYXMXQVSA-N 329.349 2.641 10 3 EFCF C[C@H]1CN(c2ccc([C@H]3c4c(cnn4C)CCN3C)cc2)C[C@@H](C)O1 963955720 RXMZEUOIBOFSSJ-KHYOSLBOSA-N 340.471 2.611 10 1 EFCF CC(=O)c1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1 26490923 NQRWBXIALOZHSY-UHFFFAOYSA-N 338.319 2.778 10 1 EFCF O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)OCCc1ccccc1 40934606 WIKOXWOZNIRBTH-VOTSOKGWSA-N 329.308 2.805 10 1 EFCF COc1ccc2c(c1)C(=O)C(=O)[C@@H](c1cccc(OC)c1OC)O2 957811068 PCHFOJRNQYBURC-GOSISDBHSA-N 328.320 2.598 10 1 EFCF O=C(c1ccccc1)N1CCN(Cc2ccc3cccnc3c2O)CC1 53243050 ACODOJQEXGOBAH-UHFFFAOYSA-N 347.418 2.898 10 1 EFCF O=C(O)/C=C\c1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 115388365 OVUKUCRWFALMTD-KYPMKJFLSA-N 342.303 2.520 10 1 EFCF COc1c(O)c(O)c2oc(-c3ccccc3)c(OC)c(=O)c2c1O 59772433 CCHPJCPXKXVLAS-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CCOP(=O)(OCC)C1=C(N)C2(N=N1)C(=O)c1ccccc1C2=O 40918232 IYHGMQDWNZLIGF-UHFFFAOYSA-N 349.283 2.664 10 1 EFCF Cc1c(O)c(Br)c2c(c1O)C(=O)c1ccccc1C2=O 98085542 OBTYCAUDHWGILX-UHFFFAOYSA-N 333.137 2.944 10 1 EFCF O=C(O)CSc1nnc(-c2ccc(O)c(O)c2)n1-c1ccccc1 29339670 XCCFLJLARLGKNR-UHFFFAOYSA-N 343.364 2.522 10 1 EFCF COC1=C(C)C(O)=C[C@@H]2C(=O)c3c(ccc(OC)c3OC)C(=O)[C@H]12 1857568361 GWWHYDVXKNKFNB-IINYFYTJSA-N 330.336 2.691 10 1 EFCF COc1cc(/C=C2\OC(=O)C(c3ccc(O)cc3)=C2O)cc(O)c1O 1857758700 MYJVNAXQWDAVRD-ZSOIEALJSA-N 342.303 2.679 10 1 EFCF COc1ccc([C@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 103066539 KBNRKRBZDPXMCQ-OAHLLOKOSA-N 348.358 2.986 10 1 EFCF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(C)c(O)c(O)c(C)c1O2 238786943 SSOWCJPLHWZECI-UHFFFAOYSA-N 332.308 2.546 10 1 EFCF COc1cc2occ(Cc3ccc(O)c(O)c3)c(=O)c2c(O)c1C 13481906 BZTINPHZYKYNOY-UHFFFAOYSA-N 328.320 2.818 10 1 EFCF biogenic CCCCOCCOc1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1 45283373 RAMMMQBJVJRCRC-UHFFFAOYSA-N 348.424 2.637 10 1 EFCF Cc1cc(F)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 586948466 GZHSCIDAGIOEDJ-UHFFFAOYSA-N 335.360 2.755 10 1 EFCF COc1c(-c2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O 14641586 WRASMIGJWWJAAJ-UHFFFAOYSA-N 344.319 2.908 10 1 EFCF biogenic CN(C)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 653893406 CKSMKZYZZVYAAI-BSIFCXSSSA-N 336.435 2.998 10 1 EFCF CCN1c2ccccc2Oc2ccc(NC(=O)C[C@H](N)C(=O)O)cc21 28527618 HHAFVKMHJVEJOY-LBPRGKRZSA-N 341.367 2.691 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)[C@H]3O 6037372 MUNUJAJWLPOQBH-NIVTXAMTSA-N 336.343 2.727 10 1 EFCF biogenic,in-vitro CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncnc1 96934712 VQBVCVBIKPSGSG-XLIONFOSSA-N 332.359 2.734 10 1 EFCF COCC=Cc1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 2356697225 NISIPBVHOHIEJR-OALUTQOASA-N 344.363 2.631 10 1 EFCF C[C@H]1CCCCN1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127342 VFDMNWXGLRHYIB-KWSCKXNYSA-N 325.281 2.549 10 1 EFCF N=c1nc(O)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c[nH]1 587253536 LOLYCRXZYKMUHD-UHFFFAOYSA-N 334.339 2.513 10 1 EFCF O=Cc1cc(Cl)cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1O 962901792 TUKPBVUSXGDZEB-GJZGRUSLSA-N 349.745 2.686 10 1 EFCF Cc1ccc(C(=O)NS(=O)(=O)c2ccc(/N=N\N(C)C)cc2)cc1 102446628 GPKAAZRBYYBNGI-ZPHPHTNESA-N 346.412 2.674 10 1 EFCF Oc1cc2c(cc1O)C[C@@H](N[C@H]1CCc3c(ccc(O)c3O)C1)CC2 26975154 HUPOJGQXYGBNCR-GJZGRUSLSA-N 341.407 2.513 10 1 EFCF COc1cc(-c2coc3cc(OC)c(O)c(O)c3c2=O)ccc1O 14646003 NAHSMYUGRNPXBT-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1c(O)ccc2cc3c4cc5c(cc4c(O)c[n+]3cc12)OCO5 238743274 GVWQFOBKGLLDQC-UHFFFAOYSA-O 336.323 2.880 10 1 EFCF Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21 101750201 GVGWEHOTLVXQIX-VHEBQXMUSA-N 326.312 2.517 10 1 EFCF COc1ccc(-c2oc3c(O)c(O)ccc3c(=O)c2OC)cc1O 112979117 SRXQHCHRSKPNFX-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CC(=CCc1c(O)cc2c(c1O)CNC2=O)CCC=C(C)C(=O)O 2356515401 NPGOXHBMJMZANB-UHFFFAOYSA-N 331.368 2.641 10 1 EFCF COc1cc(-c2cc(=O)oc3c(O)c(O)ccc23)cc(OC)c1OC 1911581050 AVJGHUOMLXVETQ-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF CN1c2ccc(N)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 95555283 WYHQVEYNRLUUKN-SFHVURJKSA-N 334.379 2.603 10 1 EFCF CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587193009 OXWHXPDYCHTDBO-UHFFFAOYSA-N 336.395 2.543 10 1 EFCF COc1cc2nc(-c3ccc(N(C)CCO)cc3)[nH]c2cc1OC 587192801 DHTTYDJWTZELNF-UHFFFAOYSA-N 327.384 2.676 10 1 EFCF C[C@@]1(c2c(O)ccc3ccc(=O)oc23)NCCc2nc3ccccn3c21 962985724 RFWJHSDRPIIUIH-FQEVSTJZSA-N 347.374 2.556 10 1 EFCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@H]2C[C@H]1CCO 2356481210 ICMITNISGNSBIG-UMVBOHGHSA-N 335.444 2.737 10 1 EFCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NC1CC1 8300209 FIUPJJFBVIJNJR-GJZGRUSLSA-N 346.471 2.918 10 1 EFCF biogenic O=C(O)c1ccc2nc(C(=O)O)cc(Cc3ccc(O)c(O)c3)c2c1 13490176 QDPLGPHDISCDTD-UHFFFAOYSA-N 339.303 2.633 10 1 EFCF O=C(Nc1ccccc1)c1cc(=O)c(O)c2c(O)c(O)c(F)cc2c1 1857576857 CHDRRKGNPYMOTL-UHFFFAOYSA-N 341.294 2.708 10 1 EFCF CCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 101520003 GOYMUEVLRVMZTP-DPEHCCBOSA-N 327.388 2.846 10 1 EFCF COc1cc2occ(-c3cccc(O)c3OC)c(=O)c2c(O)c1O 14645876 QVKHUFGXDVBHGN-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro OCCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 27107623 BOZSJIIRPXMPSE-HNNXBMFYSA-N 333.815 2.734 10 1 EFCF O=C(Cn1ccnc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 299862600 JWYTYYUDRMSNJR-GOSISDBHSA-N 346.390 2.967 10 1 EFCF CC(=O)[C@@H]1COC[C@H]2[C@@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356401373 BCDGQPTVEFBAKZ-NWUDTAHTSA-N 338.451 2.947 10 1 EFCF C/C=C/C(=O)N[C@@H]1[C@@H](N=[N+]=[N-])CC(C(=O)O)=C[C@H]1OC(CC)CC 73293051 RKERPOIPKHTWHF-GUQNGCDESA-N 336.392 2.715 10 1 EFCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc(O)cc1O 963639581 VRLGMYVFUJWMNV-WLRWDXFRSA-N 329.396 2.913 10 1 EFCF Nc1ccc(Oc2ccc3nc(C4(O)CCOCC4)[nH]c3c2)cc1 586913124 IKZWKAXFGBFYMT-UHFFFAOYSA-N 325.368 2.935 10 1 EFCF O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3O)o2)S1 35962272 AEGDYADXTPTSAK-SDQBBNPISA-N 331.305 2.674 10 1 EFCF COc1ccc([C@H]2CC(=O)c3c(O)c(O)c(O)c(C)c3O2)cc1OC 238777379 NGVLGOZLUXRTOY-GFCCVEGCSA-N 346.335 2.836 10 1 EFCF C[C@@H]1CCC[C@@H](C)N1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 29127335 ZHJFJBMCTPEVTL-UCXQEBQRSA-N 339.308 2.937 10 1 EFCF O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br 84596839 OFWUAMBDYSENHF-UHFFFAOYSA-N 325.114 2.503 10 1 EFCF NCCCCCNc1ccc(F)c2c1C(=O)c1ccncc1C2=O 1911581806 GKNXBWFUWYSJRS-UHFFFAOYSA-N 327.359 2.537 10 1 EFCF Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F 73158005 SXICCGPFVRVNMD-UHFFFAOYSA-N 344.386 2.625 10 1 EFCF COc1ccc([C@@H]2C[C@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 28334963 PLCPLNHCNIZCSJ-SJORKVTESA-N 328.368 2.646 10 1 EFCF COc1ccc2c(c1)/C(=C\c1c(OC)nc3sccn13)C(=O)N2C 84670869 SNPFPWPVICIARV-FMIVXFBMSA-N 341.392 2.930 10 1 EFCF COc1cc(C[C@@H]2CNCc3cc(O)c(O)cc32)cc(OC)c1OC 169322171 RCASQMGTQDGYNY-GFCCVEGCSA-N 345.395 2.553 10 1 EFCF CS(=O)(=O)/C=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586925980 LHEHCXYOCPPJCU-CMDGGOBGSA-N 329.381 2.953 10 1 EFCF C/C(=C/CCc1ccc2c(c1)C(=O)c1cc(O)c(O)cc1C2=O)CO 238776365 HUQNGKAAZKBQQR-JYOAFUTRSA-N 338.359 2.744 10 1 EFCF [N-]=[N+]=N[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95603394 QSJHAHLEAGIDSS-NWDGAFQWSA-N 334.292 2.854 10 3 EFCF COC(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587785956 QJNXLHFWHXKXPT-UTCJRWHESA-N 340.335 2.940 10 1 EFCF CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2C[C@H](C)O[C@H](C)CN2C1=O 299847599 IVGGGNFYTXGQKK-ZSBFGKGUSA-N 344.455 2.596 10 1 EFCF COc1ccc2c(c1)[C@@H](O)C[C@@H]1c3c(O)cc(OC)c(C)c3C(=O)N21 28950989 QEYAKVIZRGJMDB-KGLIPLIRSA-N 341.363 2.856 10 1 EFCF CN(CCO)c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587193140 UJPKDHARRRPPEL-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF CN(C)Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 40916104 ICSYRRPMGFFPSY-UHFFFAOYSA-N 327.336 2.638 10 1 EFCF COc1ccc(C[C@H]2c3c(cc4c(c3O)OCO4)CCN2C)cc1O 238736726 NBEREFJAHQPIOC-ZDUSSCGKSA-N 343.379 2.607 10 1 EFCF COc1ccc(N2[C@@H]3CC[C@@H]2CC(c2cnc(N)nc2N)C3)cc1 101186098 XYCNWZBKACZMAU-ZIAGYGMSSA-N 325.416 2.565 10 1 EFCF COc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC 1857635443 VSUWUPBJFVALAP-VMPITWQZSA-N 344.363 2.914 10 1 EFCF C[C@@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c(ccc(O)c2O)C1 27903728 LVQVVOQPRQRXGA-SMDDNHRTSA-N 329.396 2.587 10 1 EFCF COc1ccc2c(=O)c(OC)c(-c3cc(O)c(O)c(OC)c3)oc2c1 14644463 CXNYWXODOUUFAW-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic O=C(O)CN1C(=O)/C(=C/c2ccc3cc(O)ccc3c2)SC1=S 98084943 LPXOTDAXPFCUAE-MLPAPPSSSA-N 345.401 2.831 10 1 EFCF Cc1ccc(C(=O)Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 84687992 HZQATECBCJGZIB-UHFFFAOYSA-N 325.320 2.942 10 1 EFCF Cc1oc2c(c1C(=O)Nc1ccccc1O)C(=O)c1ncccc1C2=O 1857744415 RPUKBEXAIITXLQ-UHFFFAOYSA-N 348.314 2.716 10 1 EFCF Cc1ccnc2c1CCN[C@H]2c1cc(O)cc(Br)c1O 963072833 ONEQBPUFWFZKCA-AWEZNQCLSA-N 335.201 2.799 10 1 EFCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(F)cc1)CC2 1857581162 PMDAYZXMJIRSIZ-UHFFFAOYSA-N 346.427 2.712 10 1 EFCF CCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1=O 137771654 CZDQBOZKBPDLHX-RHGHMEGQSA-N 347.459 2.553 10 1 EFCF CC(C)(C)ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 13735404 GWOCJNRJJDLQLF-UHFFFAOYSA-N 346.383 2.875 10 1 EFCF CCOc1cccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1O 962924653 LCPWIHSXOWYVAG-SFHVURJKSA-N 340.423 2.728 10 1 EFCF COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(O)cc3[N@@+]1(C)CC2 257400870 CWKRVCVOEADAEH-MGPUTAFESA-O 328.388 2.906 10 1 EFCF endogenous,in-man Cc1cc(C)n2cc(/C=C/c3nc(-c4cnccn4)cn3C)nc2n1 117863878 QVAJUMWVUCWYPM-SNAWJCMRSA-N 331.383 2.707 10 1 EFCF COc1cc2c(cc1O)[C@H]1Cc3cc(OC)c(O)cc3[N@+]1(C)CC2 257400871 CWKRVCVOEADAEH-QRWLVFNGSA-O 328.388 2.906 10 1 EFCF endogenous,in-man COC1=C(C)C(O)=C[C@H]2C(=O)c3c(ccc(OC)c3OC)C(=O)[C@@H]12 1857568363 GWWHYDVXKNKFNB-YGRLFVJLSA-N 330.336 2.691 10 1 EFCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(F)cc2O)N1 963220647 FDLOTQPIBCBPNY-FUHWJXTLSA-N 338.338 2.768 10 1 EFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Cl)cc3[nH]2)c1 586949614 WHWCPSGXWKEYLN-UHFFFAOYSA-N 337.788 2.960 10 1 EFCF Cc1oc2c(c1C(=O)Oc1cccc(O)c1)C(=O)c1ncccc1C2=O 1857758263 ZSOOAWZJBYBOPW-UHFFFAOYSA-N 349.298 2.683 10 1 EFCF O=C(c1ccc(/C=C/c2ccc(O)c(O)c2)cc1)N1CCOCC1 34005334 BYBVQJWJARRPCK-OWOJBTEDSA-N 325.364 2.741 10 1 EFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1 96917382 BFVSOXVGGWXYFE-BQYQJAHWSA-N 339.800 2.842 10 1 EFCF COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc(O)c1O 587785955 QJKQGJFRVMKQQH-HYXAFXHYSA-N 326.352 2.688 10 1 EFCF Cn1c2c(c3ccc(/C=C/C(=O)O)cc3c1=O)C(=O)c1ccccc1-2 95584235 QWLOTBYOTXHRJL-VQHVLOKHSA-N 331.327 2.848 10 1 EFCF CC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc(O)c(O)cc12)OCO4 100970821 IOPHCHYXEOUUJE-LSDHHAIUSA-N 339.347 2.570 10 1 EFCF COc1cc(/C=C/C(=O)OCCc2ccc(O)c(O)c2)ccc1O 139603628 BLIAUOIDBJVVHO-QPJJXVBHSA-N 330.336 2.611 10 1 EFCF COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169306253 URQVNWRSGALGBH-TYNCELHUSA-N 340.345 2.922 10 3 EFCF Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2ccc(Cl)cc21 28955060 JUWFJUSPYOGXKH-WCIBSUBMSA-N 343.799 2.601 10 1 EFCF COc1ccc2c(c1)CN(c1ccc(OC)cc1OC)CN2C=O 238769755 XQSOWMGSNYLXLK-UHFFFAOYSA-N 328.368 2.653 10 1 EFCF COc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc(O)c1O 587786219 RUHQJCBANWVRKW-IHWYPQMZSA-N 348.409 2.521 10 1 EFCF CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(O)ccc1-2 40421082 QCVTYVVIQVLCJC-UHFFFAOYSA-N 348.402 2.870 10 1 EFCF COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1OC 14644859 QIEMGQKOGFTYLN-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic CC[n+]1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 1857538353 JWXJGPWUMBLQFC-UHFFFAOYSA-N 338.774 2.609 10 1 EFCF O=C(CCc1ccc(O)c(O)c1)NCCc1c[nH]c2ccc(O)cc12 103220071 PMGKIXZONNHJMW-UHFFFAOYSA-N 340.379 2.576 10 1 EFCF C[S@@](=O)Cc1cc(O)c(O)c(Br)c1Br 13450603 SGHYNKCYNLIFCM-AWEZNQCLSA-N 344.024 2.501 10 1 EFCF biogenic C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC=C1C=COC1=O)[C@]32C 2356683355 RSQXBETWRJNQJN-LZERDKHBSA-N 344.407 2.658 10 1 EFCF CC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc(O)c(O)cc12)OCO4 27850316 IOPHCHYXEOUUJE-HUUCEWRRSA-N 339.347 2.570 10 1 EFCF O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2cccc(F)c2)n1 13490161 JRGOPWKNZPOVCK-MRXNPFEDSA-N 329.283 2.565 10 1 EFCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)O2 587388659 FSJUGYMFSPDZKQ-AWEZNQCLSA-N 330.296 2.603 10 1 EFCF CCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O 4392039 FNFBCXUSCQLQFP-UHFFFAOYSA-N 326.304 2.524 10 1 EFCF biogenic COc1ccc(C(=O)C(=O)c2ccccc2C(=O)N2CCCC2)cc1 26248398 MCVFKDUQWIOZHK-UHFFFAOYSA-N 337.375 2.997 10 1 EFCF COc1cccc2c1C(=O)c1c(cc3c(c1O)[C@@H]1C=CO[C@H]1O3)C2=O 2356562762 CJXCSULUGMXGAP-UGZDLDLSSA-N 336.299 2.522 10 1 EFCF O=S(=O)(O)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 17302758 BITYYJJEVOSYCE-UHFFFAOYSA-N 342.354 2.595 10 1 EFCF biogenic COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F 29047647 LKRKHXOERYGJJR-UHFFFAOYSA-N 348.326 2.926 10 1 EFCF COC(=O)CC[C@H](N)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587260406 VPJCHUDBQRQMFM-AWEZNQCLSA-N 340.383 2.890 10 1 EFCF Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2ccccc21 101784643 SMWSDNDXDFCVTL-QZQOTICOSA-N 336.351 2.924 10 1 EFCF COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc([N+](=O)[O-])cc3C(=O)C(=O)[C@H]12 2356870912 RLUFVZZTYLLBGR-RYQLBKOJSA-N 345.351 2.597 10 1 EFCF COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(OC)c(C)c1C2=O 238759781 FYRLRKMMPIWBFO-UHFFFAOYSA-N 328.320 2.502 10 1 EFCF CC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 28756115 PXFQAYDMKWSFIT-KRWDZBQOSA-N 325.364 2.682 10 1 EFCF O=C(CCc1ccc(O)c(O)c1)n1ncc2ccc(Cl)cc2c1=O 587651852 FYRUZTPRFFTUCG-UHFFFAOYSA-N 344.754 2.734 10 1 EFCF CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@H](CC)CN2C1=O 103192104 ZJUPWBFRLDXKRX-SJLPKXTDSA-N 344.455 2.598 10 1 EFCF COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(O)c3o2)cc1 14645344 ASAOSMVQLGTAQO-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF endogenous,in-man COc1c(O)cc2c3c1-c1c(ccc(O)c1O)C[C@@]3(C)N(C)CC2 2356660950 WMECLACQSDTZFD-LJQANCHMSA-N 327.380 2.738 10 1 EFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCCCc1ccccc1 96917378 NDTFSJXIKLDCSV-ZRDIBKRKSA-N 333.409 2.621 10 1 EFCF COc1cc([C@H]2Oc3ccccc3C(=O)C2=O)cc(OC)c1OC 957811119 WDFPWFYSQSFPDH-QGZVFWFLSA-N 328.320 2.598 10 1 EFCF COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2cc(C)ccc23)cc1 28824746 CCZABUCLUWARCL-QGZVFWFLSA-N 325.393 2.807 10 1 EFCF OCCN(CCO)CCCCN1c2ccccc2Oc2ccccc21 1535466 LEVXOSZFVAGSTI-UHFFFAOYSA-N 342.439 2.997 10 1 EFCF CCOc1ccc(OCC)c2c1C(=O)c1ccc(C(=O)O)cc1C2=O 27903972 WYMJJKLPFYXMSC-UHFFFAOYSA-N 340.331 2.958 10 1 EFCF CN1c2ccc(O)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95553831 CMFSLFXNJPMLPH-GOSISDBHSA-N 335.363 2.726 10 1 EFCF Oc1cc2c(cc1O)C[C@H](N[C@H]1CCc3c(ccc(O)c3O)C1)CC2 26975146 HUPOJGQXYGBNCR-CABCVRRESA-N 341.407 2.513 10 1 EFCF CN(C)c1ccc([C@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1 26398920 CQDSIOOEDHNMMW-HNNXBMFYSA-N 337.832 2.809 10 1 EFCF O=C1C(=O)c2c(nc3ncnn3c2-c2ccccc2)-c2ccccc21 96917767 LZIIJYAGEJHLOF-UHFFFAOYSA-N 326.315 2.837 10 1 EFCF C[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C 587192029 QPKSVXCEPFTBJB-LLVKDONJSA-N 333.391 2.831 10 1 EFCF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)ccc1O 14727138 OBLBLCVQGCYZIH-MBZVMHRFSA-N 344.363 2.887 10 1 EFCF COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(C)c(O)c2c1=O 14647575 JEIHCEATBDDAQS-UHFFFAOYSA-N 330.292 2.599 10 1 EFCF biogenic COC(=O)c1cnn2c(O)c(Cc3ccc(F)cc3Cl)c(C)nc12 8772817 RWAYAYWDGUNNTR-UHFFFAOYSA-N 349.749 2.913 10 1 EFCF COc1cc(C=C2C[C@@H](c3ccc(O)c(O)c3)OC2=O)ccc1O 2356702998 GYUUYVMTCTVWCZ-INIZCTEOSA-N 328.320 2.884 10 1 EFCF CCn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2cc(OC)ccc21 96929595 UKIBCGIKAAHGAO-UHFFFAOYSA-N 329.352 2.889 10 1 EFCF CCCNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O 72178915 IHBSROOWAWLUMY-UHFFFAOYSA-N 339.391 2.936 10 1 EFCF Oc1ccc(C2=Cc3cc(CN4CCOCC4)c(O)cc3OC2)cc1 473145723 BLWWOZKIALMCCY-UHFFFAOYSA-N 339.391 2.863 10 1 EFCF COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952402 URQVNWRSGALGBH-ZOWXZIJZSA-N 340.345 2.922 10 1 EFCF CC1(C)O[C@H]2O[C@H](CN=[N+]=[N-])[C@H](OC(=O)/C=C/c3ccccc3)[C@H]2O1 2178317151 OBQDUJGLDUPYJK-PYWVHAPBSA-N 345.355 2.798 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@H](C)[C@H]3O 13889775 MIBAJSFXKXYYJK-FWWORTMDSA-N 338.359 2.577 10 1 EFCF biogenic CN(C)CCCn1c2c(c3ccc(N)cc3c1=O)C(=O)c1ccccc1-2 95581834 NABOZFKQMMKPEB-UHFFFAOYSA-N 347.418 2.747 10 1 EFCF O=C(CNC(=O)Cc1ccccc1)N=Nc1c(O)[nH]c2ccccc12 254010576 LFVJIPYIFZTJII-UHFFFAOYSA-N 336.351 2.843 10 1 EFCF COc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(O)ccc2c1=O 14644621 LLXQONIKJLTKCF-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic,in-vitro COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(CN(C)C)c1)[C@@H](C2)C3=O 587430162 RYSSBFPTXSOEAQ-YWZLYKJASA-N 339.391 2.951 10 1 EFCF COc1ccc([C@H]2CC(c3ccc(O)cc3O)=NN2C(C)=O)cc1 13560438 RFYFFRYDVWJAKD-QGZVFWFLSA-N 326.352 2.804 10 1 EFCF O=C1c2cnc3ccccc3c2C(=O)c2c1c1ccccc1n2CCO 84759410 QSVOCHFYEQEAJV-UHFFFAOYSA-N 342.354 2.957 10 1 EFCF COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434387 UHWDYDFNWVJFEX-DYZYQPBXSA-N 343.291 2.503 10 1 EFCF COc1cc(O)c2c(=O)c(C)c(-c3ccc(O)c(O)c3)oc2c1OC 13822659 NCTBPFJJDLNYLR-UHFFFAOYSA-N 344.319 2.902 10 1 EFCF C[C@@H]1CC[C@@H]2C(COC(=O)C=Cc3ccc(O)c(O)c3)=CO[C@H](O)[C@@H]21 2356338321 UCVCMZDDRNSEDX-IHHCABKOSA-N 346.379 2.549 10 1 EFCF COc1cc(OC)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1OC 15113637 TVFPDKMJCGPQST-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2cc(Cl)ccc21 28954997 NVTQMOXCVPJULX-WCIBSUBMSA-N 343.799 2.601 10 1 EFCF COc1ccc(C[C@H]2c3c(ccc(OC)c3O)CCN2C)cc1O 13410009 KLOWVUBJQSKTTK-AWEZNQCLSA-N 329.396 2.887 10 1 EFCF biogenic COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OC 14644849 YSPUEGILIMCUPB-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COC1=C(C)C(O)=C[C@@H]2C(=O)c3c(ccc(OC)c3OC)C(=O)[C@@H]12 1857568360 GWWHYDVXKNKFNB-HZMBPMFUSA-N 330.336 2.691 10 1 EFCF CC(=O)N1CCC(C2=NNC(=O)[C@@H]2/N=N\c2ccc(Cl)cc2)CC1 102552408 ZVRZZOUKHHKXIN-MEUCICPISA-N 347.806 2.537 10 1 EFCF O=c1cc(-c2ccccc2)oc2cc(OCCCO)c(O)c(O)c12 1857768792 FNAGDJHJOHDJEE-UHFFFAOYSA-N 328.320 2.632 10 1 EFCF O=C(O)c1ccc2ccc(CCc3ccc(O)c(O)c3)nc2c1O 5933578 KKXJVJVTYASYEF-UHFFFAOYSA-N 325.320 2.835 10 1 EFCF Cc1ccnc2c1CCN[C@H]2c1cc(O)c(O)c(Br)c1 963071292 QNSSAODMCSTORM-ZDUSSCGKSA-N 335.201 2.799 10 1 EFCF OCCCNC[C@@H]1O[C@@H](C2CCCCC2)Cc2c1ccc(O)c2O 26573613 CUYXSVNDDNBRBL-MSOLQXFVSA-N 335.444 2.633 10 1 EFCF CC(=O)c1cccc2c1C(=O)c1c(C(C)=O)cc(C(=O)O)cc1C2=O 27899689 FBDXKWXEVNTFLE-UHFFFAOYSA-N 336.299 2.565 10 1 EFCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncnc1 96934714 VQBVCVBIKPSGSG-FXAWDEMLSA-N 332.359 2.734 10 1 EFCF COc1cc2c(cc1O)C[C@H]1c3c(ccc(OC)c3O)CCN1C2 13383910 NGBDVHCLWGVLEN-AWEZNQCLSA-N 327.380 2.771 10 1 EFCF biogenic CCOC(=O)C(=[N+]=[N-])[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512566 YQQRRNMMWFFRRP-SFHVURJKSA-N 328.368 2.523 10 1 EFCF O=C(c1cccnc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299831330 BJHWRYSWTJGXGK-UHFFFAOYSA-N 335.340 2.855 10 1 EFCF Cc1cc(C)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 586948234 LOFHPOYASIBYLX-UHFFFAOYSA-N 331.397 2.924 10 1 EFCF CC1(C)OC(=O)C(=CN(CCCCCCO)c2ccccc2)C(=O)O1 3850962 UEWOOHJAMZRFPB-UHFFFAOYSA-N 347.411 2.766 10 1 EFCF biogenic Cc1cccc(O)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230368 XTCWAOVPNCZFKE-QFBILLFUSA-N 334.375 2.937 10 1 EFCF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C(=O)C2=O)cc1 957811075 QHNHQSRCDOIKNF-MRXNPFEDSA-N 328.320 2.598 10 1 EFCF COc1cc(-c2cn(-c3ccc(N)cc3)nn2)cc(OC)c1OC 28567030 GKBRKIUMLJLLCZ-UHFFFAOYSA-N 326.356 2.542 10 1 EFCF CCN(CC)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 5848501 PNADJBUVOYYXEJ-UHFFFAOYSA-N 325.364 2.715 10 1 EFCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@@H]1CCO 2356481208 ICMITNISGNSBIG-IPYPFGDCSA-N 335.444 2.737 10 1 EFCF Cn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O 84757559 XSRRVGVAWCAYHP-UHFFFAOYSA-N 328.327 2.740 10 1 EFCF OCCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 27107620 BOZSJIIRPXMPSE-OAHLLOKOSA-N 333.815 2.734 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)[C@H]3O 3781993 MUNUJAJWLPOQBH-DYBLOJMWSA-N 336.343 2.727 10 1 EFCF biogenic Cc1cccc(O)c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230367 XTCWAOVPNCZFKE-LPHOPBHVSA-N 334.375 2.937 10 1 EFCF COc1ccc([C@H]2C[C@H](c3ccccc3O)NN2C(C)=O)cc1OC 28137031 VRWFAJSOLIRHDX-HZPDHXFCSA-N 342.395 2.949 10 1 EFCF COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC)cc1 59769461 OIQSGZWRLLAFNQ-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF COc1c(O)c(O)c2c(=O)cc(-c3ccccc3O)oc2c1OC 14644418 WNYGMOFSSVQQLA-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1cc(-c2oc3c(O)c(O)ccc3c(=O)c2OC)ccc1O 14644620 TXDNAISBHQZGNX-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NC1CC1 2356820166 FIUPJJFBVIJNJR-CABCVRRESA-N 346.471 2.918 10 1 EFCF CN(C)c1ccc([C@@H](C#N)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 43737481 NRSULNRVANKMOG-OXFYSEKESA-N 348.450 2.598 10 1 EFCF biogenic CCOc1cccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1O 962924650 LCPWIHSXOWYVAG-GOSISDBHSA-N 340.423 2.728 10 1 EFCF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(N)cc2)cc1OC 203674689 NOHZGKPADQKPNP-DOTOQJQBSA-N 341.407 2.860 10 1 EFCF CCc1ccc(C(=O)NC2=N[C@H](c3ccc(C)cc3)CC(=O)N2)cc1 6817800 DDHJVVMYIMOFEI-KRWDZBQOSA-N 335.407 2.904 10 1 EFCF Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2c(Cl)cccc21 28955031 GALKTCBMIDPLTN-UITAMQMPSA-N 343.799 2.601 10 1 EFCF COc1ccc([C@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1 40743225 MXEPKEONPZQGBS-ULQDDVLXSA-N 345.439 2.530 10 1 EFCF CCOC(=O)c1c(C)cc2cnn(-c3ccc(N)cc3)c(=O)c2c1C 28757883 RAKSKBDFCNXSFE-UHFFFAOYSA-N 337.379 2.761 10 1 EFCF COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@@H]3N(C)CC2 14725306 FNHRMNVLZGCBIE-LBPRGKRZSA-N 327.380 2.867 10 1 EFCF biogenic CN(Cc1ccccc1)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 36380540 UWACVLWMDVJIGP-CYVLTUHYSA-N 347.287 2.806 10 1 EFCF O=C(Cn1nnc(-c2ccccc2)n1)N=Nc1c(O)[nH]c2ccccc12 254005313 CAHDXYSYCHQZOR-UHFFFAOYSA-N 347.338 2.838 10 1 EFCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)cc1[N+](=O)[O-])O2 587389158 JJKDFWBQIAGXTB-OAHLLOKOSA-N 330.296 2.603 10 1 EFCF CCc1cc(C)cc(CC)c1C1C(=O)N2C[C@@H](C)O[C@H](C)CN2C1=O 103169491 IVGGGNFYTXGQKK-ZIAGYGMSSA-N 344.455 2.596 10 1 EFCF COc1ccc2c(c1)O[C@@H](c1ccc(OC)cc1OC)C(=O)C2=O 957811057 NAFGBLGVLLDKIN-SFHVURJKSA-N 328.320 2.598 10 1 EFCF O=C1C(=O)C(c2cccc3ccccc23)C(=O)C(=O)C1c1ccccc1 169716548 VWKUJRNBECSYTE-UHFFFAOYSA-N 342.350 2.997 10 1 EFCF Cc1c(O)cc2c3c1OC(C)(C)[C@@H](O)[C@@H]3c1ccc(O)c(O)c1CC2 14724886 DHRCRPRUHZMPFM-APWZRJJASA-N 342.391 2.874 10 1 EFCF biogenic O=C1N=C(N2CCNCC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174475 KKLSSSNEYRQTME-WQLSENKSSA-N 342.251 2.869 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](C)[C@@H]3O 13889777 MUNUJAJWLPOQBH-YYSFKGJASA-N 336.343 2.727 10 1 EFCF biogenic CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1cccnc1C2=O 40392589 RPESDIWLFSAZET-UHFFFAOYSA-N 334.331 2.595 10 1 EFCF Nc1cncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587253530 BQKAEGZMFZIASX-UHFFFAOYSA-N 340.342 2.983 10 1 EFCF COc1cccc([C@H]2Oc3c(ccc(OC)c3OC)C(=O)C2=O)c1 957811091 RTSIGKAQYSABCY-MRXNPFEDSA-N 328.320 2.598 10 1 EFCF CC(=O)N1[C@H]2Cc3cc(O)c(O)cc3[C@H]1Cc1cc3c(cc12)OCO3 100970814 IOPHCHYXEOUUJE-CABCVRRESA-N 339.347 2.570 10 1 EFCF Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2cc(F)ccc21 28572415 ILMIOJQFFIDLSZ-SDQBBNPISA-N 326.356 2.691 10 1 EFCF COc1cc2c(c(O)c1O)C[C@@H]1C(C)(C)c3ccccc3[C@]1(O)C2=O 13383531 QMADYYQXCAFLSS-FOIQADDNSA-N 340.375 2.640 10 1 EFCF biogenic Nc1n[nH]c2nc(=O)n(-c3ccc(/N=N/c4ccccc4)cc3)nc12 45290937 YPYNTTVLCBJEDZ-FMQUCBEESA-N 332.327 2.501 10 1 EFCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(ccn2C)N(C)[C@@H]31 473089367 LHKZXYJNQMSYQE-GOSISDBHSA-N 336.395 2.662 10 1 EFCF COc1ccc2c(c1)[C@@]1(CCN2C)NCCc2nc3ccccn3c21 962987217 VFFVMROCSHZPAU-HXUWFJFHSA-N 334.423 2.572 10 1 EFCF CCC(=O)C(=O)CCC[C@H](O)CC(=O)CCCCCCCC(=O)O 14512130 DRPDZKNSZVIOQR-HNNXBMFYSA-N 342.432 2.840 10 1 EFCF endogenous,in-man C[C@@H]1CC[C@@H]2[C@H](C)C[C@@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@@]4(C)C(=O)[C@]23C1=O 2356463171 RHJYRZFDCONQET-DQGZKAQRSA-N 330.424 2.627 10 1 EFCF CNC1=NC(=O)/C(=C/c2c(C)nn(-c3ccc(F)cc3)c2C)S1 73138068 AMAUHZWVXPOHEZ-ZSOIEALJSA-N 330.388 2.818 10 1 EFCF COC(=O)c1cccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c12 587785276 JZKGMQUNHFRFMZ-VOTSOKGWSA-N 340.335 2.940 10 1 EFCF Cc1cc(O)c2c(c1)C(=O)c1c(c(O)c3cccc(O)c3c1O)C2=O 2356829723 JBKLAJFFUAGODR-UHFFFAOYSA-N 336.299 2.746 10 1 EFCF COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc(O)c1O 587785954 QJKQGJFRVMKQQH-HWKANZROSA-N 326.352 2.688 10 1 EFCF COc1cc(O)c(O)cc1-c1cc(=O)c2c(O)c(OC)ccc2o1 14644311 PXWFRHRMFAGWHP-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1ccc([C@H]2CC(=O)c3c(cc(OC)c(O)c3O)O2)cc1OC 95910708 UOCMSMUZLBMNRP-GFCCVEGCSA-N 346.335 2.830 10 1 EFCF biogenic,in-vitro COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(O)cc3[N@+]1(C)CC2 255204636 CWKRVCVOEADAEH-YWZLYKJASA-O 328.388 2.906 10 1 EFCF endogenous,in-man COc1ccc(-c2oc3c(C)c(O)c(O)c(O)c3c(=O)c2O)cc1 238782286 HDOYYMAPOUSCHY-UHFFFAOYSA-N 330.292 2.599 10 1 EFCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O 238773637 AYSMCZZCSXVWLQ-YBKUAAOGSA-N 332.396 2.697 10 1 EFCF CN(C)CCNC(=O)c1cc(Cl)cc2c(N)c3ccccc3nc12 27546664 SXQVCAZJOSLUQP-UHFFFAOYSA-N 342.830 2.915 10 1 EFCF Oc1ccc(C/N=N/c2ccc3nnc(C(F)(F)F)n3n2)c(O)c1 43080231 RQYJBNDSCYXUIJ-ISLYRVAYSA-N 338.249 2.838 10 1 EFCF Oc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F] 102906356 SXICCGPFVRVNMD-LRFGSCOBSA-N 343.389 2.625 10 1 EFCF CC1(C)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)cc21 14723348 QEJAXMORBPLKCL-SJORKVTESA-N 330.336 2.819 10 1 EFCF biogenic COc1ccc([C@@H]2C[C@H](c3ccccc3O)NN2C(C)=O)cc1OC 28137025 VRWFAJSOLIRHDX-CVEARBPZSA-N 342.395 2.949 10 1 EFCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cc(OC)ccc1O 1857551284 ALPGIDIFTDYYPI-UHFFFAOYSA-N 340.427 2.633 10 1 EFCF COc1cccc(/N=N/c2c(N)[nH]n3c(=O)c4c(nc23)CCCC4)c1 169688293 MBCWSAQIZKXNNE-QZQOTICOSA-N 338.371 2.908 10 1 EFCF COc1cc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)ccc1O 95588991 AHOSEJPZTBNBJQ-OAHLLOKOSA-N 326.352 2.804 10 1 EFCF COc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(O)c1O 587786005 RAKBDPFVXFASSS-OMUXJLDVSA-N 340.339 2.877 10 1 EFCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(C(=O)O)cc1 169723255 ADEICDVMHGTDPX-CZIZESTLSA-N 339.311 2.887 10 1 EFCF CCN(C)C(=O)Oc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1 1857746278 MZYUZOUXEPSPMU-UHFFFAOYSA-N 346.339 2.506 10 1 EFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(Cl)c3[nH]2)c1 586948629 KRMZKSRPPBZUPT-UHFFFAOYSA-N 337.788 2.960 10 1 EFCF CCOc1cccc2c1C(=O)c1c(OCC)cc(C(=O)O)cc1C2=O 3810503 ZQRVFMIQTBFRPP-UHFFFAOYSA-N 340.331 2.958 10 1 EFCF COc1ccc(C[C@@H](C)NCCc2ccc(O)c(O)c2)cc1OC 26985805 IKJQDWFCCFMWQI-CYBMUJFWSA-N 331.412 2.878 10 1 EFCF COc1cc2c(c(O)c1OC)C(=O)C[C@H](c1cccc(O)c1O)O2 2356720861 LWTUPVMZACEQIR-LLVKDONJSA-N 332.308 2.527 10 1 EFCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)[C@@H](O)[C@@H](O)C3 2356687903 FGOXTYTYQPKJAF-DIIGROEQSA-N 348.439 2.702 10 1 EFCF C=Cc1c(OC)cc2c(c1O)C(=O)c1c(cc(OC)c(C)c1O)C2=O 13484846 RLWNVEDQBMXEPU-UHFFFAOYSA-N 340.331 2.842 10 1 EFCF biogenic COc1ccc([C@H]2Oc3ccc(OC)cc3C(=O)C2=O)c(OC)c1 957811066 OIKFKUVMPCDPDG-GOSISDBHSA-N 328.320 2.598 10 1 EFCF COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 59808078 URQVNWRSGALGBH-HUBLWGQQSA-N 340.345 2.922 10 1 EFCF O=C(CNC(=O)/C=C/c1ccco1)/N=N/c1c(O)[nH]c2ccccc12 101797994 GGPCJJVFMPFICZ-ONTRWARTSA-N 338.323 2.906 10 1 EFCF Cc1c(C(=O)CSc2nccs2)[n+](=O)c2ccccc2n1O 653827658 CLHBVCBEROSWHI-UHFFFAOYSA-N 334.402 2.533 10 1 EFCF O=C(COc1ccccc1)Nc1nnc(-c2cccc(O)c2O)s1 1772627464 QRUJMYARPBHMED-UHFFFAOYSA-N 343.364 2.634 10 1 EFCF O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)Oc1ccccc1 1857629768 AUGVJIZRKQDGGW-UHFFFAOYSA-N 344.348 2.846 10 1 EFCF COc1cc(-c2cc(=O)c3cc(O)c(O)cc3o2)cc(OC)c1O 14645029 MREYMOHETAHVAQ-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 14725304 FNHRMNVLZGCBIE-GFCCVEGCSA-N 327.380 2.867 10 1 EFCF biogenic COc1cc(O)c2c(=O)cc(-c3c(OC)ccc(O)c3O)oc2c1 238764926 FOFPMCBKQYNSSW-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF S=C(NCc1cccnc1)SCCc1nnc(-c2cc[nH]c2)o1 653708998 FZGUTFFTYMVBCD-UHFFFAOYSA-N 345.453 2.810 10 1 EFCF COc1c(O)c2c(c(OC)c1OC)C(=O)c1ccc(C)cc1C2=O 200003667 IOXHSWASAINFRG-UHFFFAOYSA-N 328.320 2.502 10 1 EFCF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(O)c3CN1CC2 13484850 SUHDGQSJNMIRRN-OAHLLOKOSA-N 327.380 2.771 10 1 EFCF biogenic CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccc(C)cc1C2=O 13334390 OVHKXYHRJSWMDN-UHFFFAOYSA-N 338.315 2.621 10 1 EFCF biogenic Cc1oc2c(c1C(=O)Oc1ccc(N)cc1)C(=O)c1ncccc1C2=O 1857744940 VLVNMALSGHQSSE-UHFFFAOYSA-N 348.314 2.560 10 1 EFCF C[C@@H]1CC[C@@H]2[C@H](C)C[C@@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@]4(C)C(=O)[C@@]23C1=O 2356463172 RHJYRZFDCONQET-KNYBQXLUSA-N 330.424 2.627 10 1 EFCF COC(=O)c1ccc(-c2c(-c3ccc(O)c(O)c3O)n[nH]c2C)cc1 1857593802 SDWHFYHMXDPCHU-UHFFFAOYSA-N 340.335 2.956 10 1 EFCF COc1cc([C@@H]2Oc3cc(O)cc(OC)c3C=C2O)cc(O)c1O 2356829412 IYESOFZZRDVMJL-KRWDZBQOSA-N 332.308 2.853 10 1 EFCF CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C(=O)c1ccccc1C2=O 13334384 UGYOSUKGHHXAEC-UHFFFAOYSA-N 338.315 2.621 10 1 EFCF biogenic COC(=O)/C=C/c1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95584577 HDRTXMQKCYEBHT-CSKARUKUSA-N 345.354 2.936 10 1 EFCF COc1cc(NC2=NCCc3cc(O)c(O)cc32)cc(OC)c1OC 13760856 APHBGWNPNNHZML-UHFFFAOYSA-N 344.367 2.538 10 1 EFCF COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc([N+](=O)[O-])cc3C(=O)C(=O)[C@@H]12 2356870909 RLUFVZZTYLLBGR-BPQIPLTHSA-N 345.351 2.597 10 1 EFCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(F)cc2O)N1 963220651 FDLOTQPIBCBPNY-WMZOPIPTSA-N 338.338 2.768 10 1 EFCF O=C1C(=O)C(c2ccc3ccccc3c2)C(=O)C(=O)C1c1ccccc1 169716546 DUGIAAXHICRUKU-UHFFFAOYSA-N 342.350 2.997 10 1 EFCF O=C(CNC(=O)/C=C/c1ccco1)/N=N\c1c(O)[nH]c2ccccc12 102706691 GGPCJJVFMPFICZ-LELGYBIGSA-N 338.323 2.906 10 1 EFCF CCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O 82157778 CORKRJLKKMTFGT-UHFFFAOYSA-N 349.342 2.900 10 1 EFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 586948531 IBISXKJQGNKNGH-UHFFFAOYSA-N 339.323 2.585 10 1 EFCF COc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)cc(O)c1O 587787082 ZDWWDKZEGYIGNF-WAYWQWQTSA-N 326.308 2.851 10 1 EFCF COc1ccc(N2CCN(CCc3c[nH]c4ncccc34)CC2)cc1 27654752 DUTVAWSMMMBCQT-UHFFFAOYSA-N 336.439 2.936 10 1 EFCF N[C@@H]1CC[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 587247674 XDLKUJGOXYJWQI-WDEREUQCSA-N 331.375 2.933 10 1 EFCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2ccccc12 28711245 ZXQWPYBSFPAGRZ-UHFFFAOYSA-N 334.375 2.570 10 1 EFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2O)N1 103065516 XDUIXEUPQVPBSO-ZDUSSCGKSA-N 334.331 2.683 10 1 EFCF O=C(O)C(C=Cc1ccc(O)c(O)c1)C=Cc1ccc(O)c(O)c1 2356647917 ZFSFGESHUWJBQD-UHFFFAOYSA-N 328.320 2.936 10 1 EFCF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3O)C[C@@H]21 31516413 XFXUXIQZJARYEF-HNNXBMFYSA-N 327.380 2.771 10 1 EFCF biogenic O=C1NC(=O)C(=CNc2ccc3cc4ccccc4cc3c2)C(=O)N1 1772576708 OVWWAVOXIZPVQX-UHFFFAOYSA-N 331.331 2.655 10 1 EFCF CCC(=O)C(=O)CCC[C@@H](O)CC(=O)CCCCCCCC(=O)O 14512127 DRPDZKNSZVIOQR-OAHLLOKOSA-N 342.432 2.840 10 1 EFCF endogenous,in-man CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@H](CC)CN2C1=O 103192107 ZJUPWBFRLDXKRX-AEFFLSMTSA-N 344.455 2.598 10 1 EFCF O=C(O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1ccc(O)c(O)c1 49807670 FSGMFKVEPTXIHC-KRXBUXKQSA-N 338.319 2.754 10 1 EFCF CC(=O)C[C@]1(c2cc(F)ccc2O)c2ccsc2CCN1C(N)=O 962712045 NJELMJUQDHHAEJ-QGZVFWFLSA-N 348.399 2.752 10 1 EFCF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([N+](=O)[O-])cc3C(=O)C(=O)[C@@H]21 2356870910 RLUFVZZTYLLBGR-CGTJXYLNSA-N 345.351 2.597 10 1 EFCF CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)C[C@@H]1c1cccs1 1911583552 OAYCFCHPFJISBS-LLVKDONJSA-N 347.352 2.765 10 1 EFCF CN(CCO)c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587192937 LLCIUFBWSIFVKY-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1c(O)cccc1O 963614868 ZMGIUAQMZBSSQW-NSPYISDASA-N 329.396 2.913 10 1 EFCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1cc(O)c(O)cc12 962958823 VBCYEEZKWLCUKF-SBKAZYGRSA-N 349.390 2.699 10 1 EFCF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(O)c3CN1CC2 13484849 SUHDGQSJNMIRRN-HNNXBMFYSA-N 327.380 2.771 10 1 EFCF biogenic C/C(=C\Cc1c(O)cc2c(c1O)CNC2=O)CC/C=C(\C)C(=O)O 299865378 NPGOXHBMJMZANB-NVOKHFLUSA-N 331.368 2.641 10 1 EFCF Oc1ccc(-c2ccc(F)cc2)cc1CNCCN1CCOCC1 45289160 SAINZNDBDVTNTG-UHFFFAOYSA-N 330.403 2.620 10 1 EFCF CCn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2cc([N+](=O)[O-])ccc21 96929597 JMRYIHTUYHEVQU-UHFFFAOYSA-N 344.323 2.789 10 1 EFCF COc1cc(C[C@H]2CNCc3cc(O)c(O)cc32)cc(OC)c1OC 169322173 RCASQMGTQDGYNY-LBPRGKRZSA-N 345.395 2.553 10 1 EFCF CC(=O)[C@@H]1COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356401371 BCDGQPTVEFBAKZ-BEUFEYIVSA-N 338.451 2.947 10 1 EFCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2O 2356604607 AYSMCZZCSXVWLQ-FJXLLPKBSA-N 332.396 2.697 10 1 EFCF COc1cc(CNC(=O)/C=C/c2ccc(N(C)C)cc2)ccc1O 13832545 IVQKBUMSJZUVNC-YRNVUSSQSA-N 326.396 2.796 10 1 EFCF CN(C)CCNC(=O)c1cccc2cc3c(nc12)-c1ccccc1C3=O 26170378 MBTIJGXSMFLPAV-UHFFFAOYSA-N 345.402 2.738 10 1 EFCF Oc1cccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c1O 40403312 VJXDPFWAUJYGFM-CYBMUJFWSA-N 341.371 2.549 10 1 EFCF CCOC(O)=C1C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 1857622336 GOYMUEVLRVMZTP-HNNXBMFYSA-N 327.388 2.846 10 1 EFCF Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1cccnc1C2=O 1857635324 MQNNPQRTDGKFNL-UHFFFAOYSA-N 349.298 2.683 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@@H](C)[C@H]3O 3781991 MIBAJSFXKXYYJK-IIUVHNRUSA-N 338.359 2.577 10 1 EFCF biogenic COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc(O)cc1O 963639576 VRLGMYVFUJWMNV-JEOXALJRSA-N 329.396 2.913 10 1 EFCF COc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(OC)c1)CC2=O 14643830 LWMYXRBELIIBKN-CYBMUJFWSA-N 332.308 2.527 10 1 EFCF biogenic COC(=O)C[C@H](CCc1ccc(N)cc1)c1cccc(C(=N)N)c1 13776604 HVOVFAYWILWKPI-HNNXBMFYSA-N 325.412 2.832 10 1 EFCF C[C@H]1CCC(/N=N\c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 100761843 NOSHROKZQHUIQG-IWIFPUAOSA-N 326.356 2.864 10 1 EFCF CN(C)CCCn1c2c(c3cnccc3c1=O)C(=O)c1ccccc1-2 653825282 VEHGJNKIAVQNKN-UHFFFAOYSA-N 333.391 2.560 10 1 EFCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(O)cc(O)cc1O 963059142 SNZLQVISAFYMMK-IBGZPJMESA-N 338.363 2.595 10 1 EFCF Cn1c(O)c(N=NC(=O)CNC(=O)c2ccco2)c2ccccc21 299813259 GVGWEHOTLVXQIX-UHFFFAOYSA-N 326.312 2.517 10 1 EFCF Cc1oc2c(c1C(=O)Oc1ccccc1)C(=O)c1ncccc1C2=O 1857746668 YXSVLRFIGPDDAD-UHFFFAOYSA-N 333.299 2.978 10 1 EFCF CC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64437142 OFZYURCUSQCQBT-UHFFFAOYSA-N 328.276 2.502 10 1 EFCF Cc1cc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1C 963529214 WBUIKYRYQSMVPW-JXFKEZNVSA-N 341.407 2.885 10 1 EFCF Cc1cc(O)c2c3c(c(O)c(O)c2c1)C(=O)c1c(O)cccc1C3=O 43207882 CLRVJGRGPFFSCE-UHFFFAOYSA-N 336.299 2.746 10 1 EFCF biogenic Cc1c(F)ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586949703 YDBMWZXFJGACLR-UHFFFAOYSA-N 335.360 2.755 10 1 EFCF COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2 1649938 LKLWVKCEYSPQHL-UJONTBEJSA-O 342.415 2.915 10 1 EFCF O=C(c1ccc(O)c(O)c1)c1c(Cl)c(O)c(O)c(O)c1Cl 53294284 KTADQKZWMKTJIN-UHFFFAOYSA-N 331.107 2.752 10 1 EFCF COc1ccc(/C=C2\SC(=S)N([C@@H](C)CC(=O)O)C2=O)cc1 473249608 WTABTDVWAZYVTE-RILYUOAZSA-N 337.422 2.760 10 1 EFCF O=C(O)CN1C(=O)/C(=C/c2cccc(N3CCCC3)c2)SC1=S 62233386 JSGUDOLDZSZXPC-LCYFTJDESA-N 348.449 2.573 10 1 EFCF COc1c2c(cc3occ(-c4ccc(O)c(O)c4)c(=O)c13)OCO2 238788994 DCSKXOUUQVHYPQ-UHFFFAOYSA-N 328.276 2.609 10 1 EFCF CCN(CC)C(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O 473121675 QNLBFWBKEUOGIL-UHFFFAOYSA-N 347.374 2.592 10 1 EFCF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(O)cc(O)cc1O 963059144 SNZLQVISAFYMMK-LJQANCHMSA-N 338.363 2.595 10 1 EFCF C[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32 27894466 LPODMCYVZWDRJJ-UXOLTFTNSA-N 326.396 2.870 10 1 EFCF C[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c(ccc(O)c2O)C1 27903735 LVQVVOQPRQRXGA-BXUZGUMPSA-N 329.396 2.587 10 1 EFCF COc1ccc(-c2coc3c(O)c(O)c(OC)cc3c2=O)cc1O 14646142 NLXUKROVVNDXPB-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic [N-]=[N+]=N[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95603393 QSJHAHLEAGIDSS-VXGBXAGGSA-N 334.292 2.854 10 3 EFCF CC(C)c1cc2c(c(O)c1O)[C@]13CO[C@H]2C[C@H]1C(C)(C)[C@@H](O)[C@H](O)C3 238787134 FGOXTYTYQPKJAF-ZQEZPZGISA-N 348.439 2.702 10 1 EFCF Cc1ccnc2c1CCN[C@@]21CC(C)(C)Oc2cc(O)cc(O)c21 963077204 VQFZQPXEQWZTKB-LJQANCHMSA-N 326.396 2.752 10 1 EFCF CC1(C)C=CC2=C(O)[C@H]3C(=O)c4ccc(O)c(O)c4O[C@H]3C=C2O1 2356508888 UETNIIAIRMUTSM-STQMWFEESA-N 328.320 2.732 10 1 EFCF O=C(COc1ccccc1)Nc1nnc(-c2ccc(O)c(O)c2)s1 1772640925 IMLHVPKVWARFAT-UHFFFAOYSA-N 343.364 2.634 10 1 EFCF Cc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1C 586948088 CBVUMCPULJNJGL-UHFFFAOYSA-N 331.397 2.924 10 1 EFCF O=C1CSC(=S)N1Cc1nnc(-c2ccc(Cl)cc2)o1 103265645 KZSAHDKQUBQPKL-UHFFFAOYSA-N 325.802 2.750 10 1 EFCF COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)[C@@H]3O 238768211 MIBAJSFXKXYYJK-IYYXKQCESA-N 338.359 2.577 10 1 EFCF COc1ccc([C@@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 28474360 MXEPKEONPZQGBS-IXDOHACOSA-N 345.439 2.530 10 1 EFCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650733 SFXCLHQCMIPWGH-UHFFFAOYSA-N 332.381 2.691 10 1 EFCF Cc1cc2c(cc1O)[C@](C)(c1ccc(C)c(C)c1O)N[C@H](C(=O)O)C2 963505950 CZLNXFRBCAWPDV-JXFKEZNVSA-N 341.407 2.885 10 1 EFCF OCCCNC[C@@H]1O[C@H](C2CCCCC2)Cc2c1ccc(O)c2O 13823846 CUYXSVNDDNBRBL-ROUUACIJSA-N 335.444 2.633 10 1 EFCF Cc1nnsc1C1=NNC(=O)/C1=C\c1c[nH]c2ccc(Cl)cc12 28954951 PUSFJFQVIPADDX-WCIBSUBMSA-N 343.799 2.899 10 1 EFCF COc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)cc(O)c1O 587787079 ZDWWDKZEGYIGNF-AATRIKPKSA-N 326.308 2.851 10 1 EFCF Cc1nnc(/N=N/Cc2ccc(-c3cccc(C(=O)O)c3)o2)n1N 169692004 ANFIIPIUULEXJT-HTXNQAPBSA-N 326.316 2.542 10 1 EFCF CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1O 71928207 TYIQOVNMKOQECY-OIISXLGYSA-N 334.372 2.515 10 1 EFCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCO 1857619010 HHLGKUWNWQRCCY-FMIVXFBMSA-N 328.430 2.816 10 1 EFCF COc1cc(C=C2OC(=O)C(c3ccc(O)cc3)=C2O)cc(O)c1O 2356334769 MYJVNAXQWDAVRD-UHFFFAOYSA-N 342.303 2.679 10 1 EFCF COc1cc(/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(O)c1O 587785168 IKJRNDSHVOYKIY-IHWYPQMZSA-N 344.298 2.990 10 1 EFCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2O)N1 103065517 XDUIXEUPQVPBSO-CYBMUJFWSA-N 334.331 2.683 10 1 EFCF COc1ccc2c(c1)O[C@H](c1cccc(OC)c1OC)C(=O)C2=O 957811042 LOQDOGNVUMTIEG-GOSISDBHSA-N 328.320 2.598 10 1 EFCF COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)CC2=O 14643827 LWMYXRBELIIBKN-ZDUSSCGKSA-N 332.308 2.527 10 1 EFCF biogenic,in-vitro COc1ccc([C@@H]2CC(=O)c3c(O)c(O)c(OC)c(OC)c3O2)cc1 14644121 XEIQAZDFOBLNSU-LBPRGKRZSA-N 346.335 2.830 10 1 EFCF biogenic COc1cc(NC(=O)/C=C/c2cccc(O)c2O)cc(OC)c1OC 169312389 LVVLDMCIVGWYAL-BQYQJAHWSA-N 345.351 2.776 10 1 EFCF C[C@H]1[C@@H](O)[C@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@@]1(C)C/C=C1/C=COC1=O 38493879 RSQXBETWRJNQJN-YLBZHWJGSA-N 344.407 2.658 10 1 EFCF c1ccc(Cn2nnnc2NCc2ccc(N3CCCC3)cc2)cc1 95665654 XYYHEJHPBAMYAZ-UHFFFAOYSA-N 334.427 2.934 10 1 EFCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2cccc(F)c2)n1 13490147 PEJYALXLSOUWCD-UHFFFAOYSA-N 327.267 2.714 10 1 EFCF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@H]23)ccc1O 14727136 OBLBLCVQGCYZIH-WXPXUSHHSA-N 344.363 2.887 10 1 EFCF biogenic COc1cc(CC2=NCCc3cc(O)c(O)cc32)cc(OC)c1OC 87722068 YUYGQRIHMBMCFP-UHFFFAOYSA-N 343.379 2.712 10 1 EFCF C[C@H](CO)Cc1cc(O)c(O)c(Br)c1Br 13450195 OUUGKEIIBYTMCH-YFKPBYRVSA-N 340.011 2.794 10 1 EFCF biogenic CN(CCO)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587192990 OBXRJFVMQPWKLW-UHFFFAOYSA-N 330.319 2.706 10 1 EFCF CCOC(=O)C(=[N+]=[N-])[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512565 YQQRRNMMWFFRRP-GOSISDBHSA-N 328.368 2.523 10 1 EFCF C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@@]1(C)CC=C1C=COC1=O 2356683353 RSQXBETWRJNQJN-AEGFIFMBSA-N 344.407 2.658 10 1 EFCF CC(=CCCc1ccc2c(c1)C(=O)c1cc(O)c(O)cc1C2=O)CO 2356514510 HUQNGKAAZKBQQR-UHFFFAOYSA-N 338.359 2.744 10 1 EFCF O=C(Nc1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br 142479546 INCSNXYPCWROCE-UHFFFAOYSA-N 340.129 2.524 10 1 EFCF Cc1cc2c(cc1O)[C@@](C)(c1ccc(C)c(C)c1O)N[C@H](C(=O)O)C2 963505951 CZLNXFRBCAWPDV-OXJNMPFZSA-N 341.407 2.885 10 1 EFCF COc1cc2oc(-c3cc(O)c(O)cc3OC)cc(=O)c2cc1OC 238733559 DIFUSYXXQWTKKD-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1N=Nc1ccc(F)cc1 263597134 GKQWVBRPLBCQTM-CQSZACIVSA-N 325.303 2.732 10 1 EFCF CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@H](CC)CN2C1=O 103183059 OMTMWMAYFJRXBJ-NVXWUHKLSA-N 330.428 2.556 10 1 EFCF CCCN(CCC)[C@@H]1CCc2cccc(OCC(=O)C=[N+]=[N-])c2C1 28088720 LKSAKYMJCQZYNX-MRXNPFEDSA-N 329.444 2.914 10 1 EFCF CCCCNCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 29346604 VPPQFQPRCJEPAD-UHFFFAOYSA-N 325.364 2.763 10 1 EFCF CCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 147960217 DJPXWRPQEOTGRW-UHFFFAOYSA-N 330.292 2.681 10 1 EFCF Nc1ccc(Oc2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)cc1 587043416 LJRUZPZEVSYUON-OAHLLOKOSA-N 340.408 2.842 10 1 EFCF Oc1cc2c(cc1O)C[C@@H](N[C@H]1CCc3cc(O)c(O)cc3C1)CC2 26971302 BMWKPVFVSFFXHB-HOTGVXAUSA-N 341.407 2.513 10 1 EFCF CC=C1C[N@+]2(C)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356740791 JTTRGCDSKZRQPP-CLNPKCODSA-O 339.459 2.885 10 1 EFCF COc1cc(-c2coc3cc(O)c(O)cc3c2=O)cc2c1OCO2 14646081 CBYMNYOVHFOXTA-UHFFFAOYSA-N 328.276 2.609 10 1 EFCF biogenic O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(F)cc2O)N1 963220649 FDLOTQPIBCBPNY-SJLPKXTDSA-N 338.338 2.768 10 1 EFCF Cc1cc(C)nc(-n2nc(N)c(/N=N/c3ccc(F)cc3)c2N)n1 98084150 QALVQTQDMFCYBD-QURGRASLSA-N 326.339 2.998 10 1 EFCF CC(=O)NC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)=NN1 238755533 ZAZJWMLKJIQDIN-UHFFFAOYSA-N 328.759 2.525 10 1 EFCF CC1(C)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21 14723344 QEJAXMORBPLKCL-IAGOWNOFSA-N 330.336 2.819 10 1 EFCF biogenic COc1ccc(C(=O)C(=O)c2cn(CCc3ccccc3)nn2)cc1 96932347 BZGRBQNPNHRYTN-UHFFFAOYSA-N 335.363 2.595 10 1 EFCF COc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(O)c1O 587786006 RAKBDPFVXFASSS-RTZWDOBSSA-N 340.339 2.877 10 1 EFCF O=C(O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29558878 DGNBIAPJVIRYIU-UHFFFAOYSA-N 332.444 2.601 10 1 EFCF COc1cc(N(C)C)cc(CNCCc2ccc([N+](=O)[O-])cc2)c1O 28394725 PBKWFQXZOSIIAD-UHFFFAOYSA-N 345.399 2.707 10 1 EFCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 96929410 YCCSYYTVMCCLGE-WJDWOHSUSA-N 336.347 2.742 10 1 EFCF COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3O)oc2c1 238777490 XXKASSJRPFSJAE-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CN(C)CCNC(=O)c1cccc2c(N)c3c(Cl)cccc3nc12 27546604 VHEOIEINQXOGCU-UHFFFAOYSA-N 342.830 2.915 10 1 EFCF Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c(Cl)cccc21 36338798 JYBFSCWKBNIHOJ-XFFZJAGNSA-N 337.770 2.539 10 1 EFCF COc1cc2c(cc1O)CN1CCc3ccc(OC)c(O)c3[C@@H]1C2 2356781551 IVAIKLPWWORRPT-AWEZNQCLSA-N 327.380 2.771 10 1 EFCF CCNC(=O)Nc1cn(CCOC)c2cc(-c3cccnc3)cnc12 653766981 VUEPAMRHIQDYCN-UHFFFAOYSA-N 339.399 2.886 10 1 EFCF O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12 13760668 UYJGDEQPQQGIHI-UHFFFAOYSA-N 344.754 2.732 10 1 EFCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccccc1)CCC2 29132735 QRNMAXQGMAXWLC-UHFFFAOYSA-N 342.464 2.963 10 1 EFCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2O 2356604608 AYSMCZZCSXVWLQ-UEABVUSTSA-N 332.396 2.697 10 1 EFCF CN(C)CCCn1c2c(c3ncccc3c1=O)C(=O)c1ccccc1-2 653827925 MYYHKIHLRHFPHC-UHFFFAOYSA-N 333.391 2.560 10 1 EFCF COc1ccc([C@H](C(C)=O)[C@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1 40743221 MXEPKEONPZQGBS-BBWFWOEESA-N 345.439 2.530 10 1 EFCF COc1cc2c(c(O)c1O)C[C@H]1C(C)(C)c3ccccc3[C@]1(O)C2=O 13383533 QMADYYQXCAFLSS-MGPUTAFESA-N 340.375 2.640 10 1 EFCF biogenic CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(O)cc1-2 71317337 CHYVDOVAOKEUOE-UHFFFAOYSA-N 348.402 2.870 10 1 EFCF OCC[C@@H]1CN(Cc2ccccc2O)CCN1CCc1ccccc1 22930820 NAEHUUGKOQIUMO-HXUWFJFHSA-N 340.467 2.504 10 3 EFCF COc1cccc2c1C(=O)c1c(OC)cc(C[N+](C)(C)C)cc1C2=O 95591655 OXQMQFPQAXCTPH-UHFFFAOYSA-N 340.399 2.685 10 1 EFCF CC1(C)C(=O)c2c3c(c4c([nH]c5ccccc54)c2C1=O)C(=O)NC3=O 29124070 PRFSSGBJBZLOCS-UHFFFAOYSA-N 332.315 2.610 10 1 EFCF CCCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O 13380594 JEIGNBBMWSECEL-UHFFFAOYSA-N 340.331 2.914 10 1 EFCF biogenic COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)c(OC)c3o2)cc1 14645346 FDKQAGATKAUCGK-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1cc(-c2cccs2)cc([C@@H]2N[C@@H](C(=O)O)CS2)c1O 169699728 AXRSCCUEBKBDSD-QMTHXVAHSA-N 337.422 2.918 10 1 EFCF Oc1ccc(CNC(=S)NCCc2ccc(Cl)cc2)cc1O 13601128 MCKQDCDQHIXRAK-UHFFFAOYSA-N 336.844 2.958 10 1 EFCF COc1ccc(OC)c2c1C[C@H]1c3cc(O)c(O)cc3CCN1C2 208084384 QNEFEUWSOPMZJT-HNNXBMFYSA-N 327.380 2.771 10 1 EFCF COc1cc(N=Nc2ccc(C)cc2S(N)(=O)=O)c(C)cc1N 254120973 VNPNPJCNLYTEET-UHFFFAOYSA-N 334.401 2.957 10 3 EFCF O=C1c2cnccc2C(=O)c2nc3cc(OC(F)(F)F)ccc3nc21 28642696 SYWNWPCWFDCNHC-UHFFFAOYSA-N 345.236 2.699 10 1 EFCF COc1cc(/C=C2\SC(Nc3ccccn3)=NC2=O)ccc1O 95755323 KLOUDXWXLQTXME-LCYFTJDESA-N 327.365 2.878 10 3 EFCF Cc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cc(O)cc1C3=O 238784805 GVMJELYJTXMGSX-UHFFFAOYSA-N 336.299 2.596 10 1 EFCF C[C@H](CCc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)c(O)cc2C1 27895759 QJGRBAPTZFOLGD-WBMJQRKESA-N 343.423 2.977 10 1 EFCF CN(C)CCCn1c2c(c3cccnc3c1=O)C(=O)c1ccccc1-2 653827923 MSWCRZLSBRLHJS-UHFFFAOYSA-N 333.391 2.560 10 1 EFCF COc1ccc2c(c1)O[C@H](c1ccc(OC)cc1OC)C(=O)C2=O 957811056 NAFGBLGVLLDKIN-GOSISDBHSA-N 328.320 2.598 10 1 EFCF COc1ccc(N2[C@H]3CC[C@@H]2CC(c2cnc(N)nc2N)C3)cc1 29207282 XYCNWZBKACZMAU-QXMXGUDHSA-N 325.416 2.565 10 1 EFCF COc1cc2c(cc1O)CC[N+]1(C)Cc3c(ccc(OC)c3O)C[C@H]21 2010651 JPZIEDNXIGBQCY-UJONTBEJSA-O 342.415 2.915 10 1 EFCF biogenic,in-vitro COc1ccccc1-c1ccc(C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26835406 WQWAGILDBLSBQH-HUUCEWRRSA-N 329.396 2.929 10 1 EFCF COC(=O)C(C=Cc1ccc(O)c(O)c1)=CCc1ccc(O)c(O)c1 2356738788 ATJCRATUAFXRMR-UHFFFAOYSA-N 342.347 2.864 10 1 EFCF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc(O)c1O 587785907 PNVPQDDXPSETEQ-NSCUHMNNSA-N 326.308 2.882 10 1 EFCF O=C(O)c1cc(/N=N/[C@H](Cc2ccc(O)cc2)C(=O)O)ccc1O 44086497 MAICECPDSCAUFF-OYLHUBKDSA-N 330.296 2.576 10 1 EFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1ccc(Cl)cc1Cl 84715594 BYVWRUPWZYBGOZ-PCWSXBEYSA-N 330.200 2.907 10 1 EFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 586948092 CDKFYEIPEYJCKQ-UHFFFAOYSA-N 339.323 2.585 10 1 EFCF Oc1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(O)c2)cc1O 28643922 OQSOTSIYXPYTRE-VVDPLQPHSA-N 330.336 2.584 10 1 EFCF in-vivo COc1ccc2c(c1)O[C@@H](c1cccc(OC)c1OC)C(=O)C2=O 957811043 LOQDOGNVUMTIEG-SFHVURJKSA-N 328.320 2.598 10 1 EFCF C[C-](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 169693129 XIESTINJWTUZMJ-CCEZHUSRSA-N 339.378 2.988 10 1 EFCF CCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 101519997 GOYMUEVLRVMZTP-IDTYTIONSA-N 327.388 2.846 10 1 EFCF CC1(C)COc2c(NCCO)ccc(C(=O)c3ccccc3)c2N1 27558064 ZGQOSUMTVMLJEX-UHFFFAOYSA-N 326.396 2.905 10 1 EFCF O=C1[C@H]([C@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 103282652 FWDXPZKJQCPPED-MAUKXSAKSA-N 327.380 2.570 10 1 EFCF Cc1cccc(O)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230369 XTCWAOVPNCZFKE-VQIMIIECSA-N 334.375 2.937 10 1 EFCF O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCc1ccccc1 1857644227 ZICIPMZRQGDZSF-DHZHZOJOSA-N 336.435 2.895 10 1 EFCF C[C@@H]1CN(c2ccc([C@@H]3c4c(cnn4C)CCN3C)cc2)C[C@@H](C)O1 963955721 RXMZEUOIBOFSSJ-SPYBWZPUSA-N 340.471 2.611 10 1 EFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1cc(Cl)ccc1Cl 16925827 OKQBWLBBYQONMR-PCWSXBEYSA-N 330.200 2.907 10 1 EFCF O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)Cc1ccccc1 71316182 USTFVYHTLAKPKJ-WMLDXEAASA-N 343.404 2.662 10 1 EFCF O=C(CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 34049552 XPEQUGZSJRBTLJ-UHFFFAOYSA-N 344.363 2.603 10 1 EFCF [N-]=[N+]=NC[C@H](O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 653897441 QBWIKULRJCPSRJ-NSHDSACASA-N 346.346 2.884 10 1 EFCF COc1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc(O)c1O 587786226 RUHQJCBANWVRKW-NSCUHMNNSA-N 348.409 2.521 10 1 EFCF COc1cc([C@@H]2Oc3ccccc3C(=O)C2=O)cc(OC)c1OC 957811118 WDFPWFYSQSFPDH-KRWDZBQOSA-N 328.320 2.598 10 1 EFCF COc1cc2c(cc1O)C[C@@H]1c3c(ccc(OC)c3O)CCN1C2 13383911 NGBDVHCLWGVLEN-CQSZACIVSA-N 327.380 2.771 10 1 EFCF biogenic O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(Cl)c(F)cc1F 43010846 ZKWAYQPWEGKBDT-UHFFFAOYSA-N 339.681 2.826 10 1 EFCF Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccc(N(C)C)cc1 492683 VLXUNLGVUYYQJT-GOSISDBHSA-N 325.412 2.795 10 3 EFCF O=C1NC(=S)NC(=O)C1=CNc1ccc2cc3ccccc3cc2c1 1772630736 OYWFEVPFMJWHMW-UHFFFAOYSA-N 347.399 2.820 10 1 EFCF Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccco2)c2ccccc21 5982203 GVGWEHOTLVXQIX-HNENSFHCSA-N 326.312 2.517 10 1 EFCF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([N+](=O)[O-])cc3C(=O)C(=O)[C@H]21 2356870911 RLUFVZZTYLLBGR-KBAYOESNSA-N 345.351 2.597 10 1 EFCF COc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2c(O)c1OC 14646014 YYEWFJTXAQPADA-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@@H](C2)N(C)CC3 2356484393 SBGGUHPMRYOCBS-CYBMUJFWSA-N 327.380 2.867 10 1 EFCF O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc(O)c(O)c1 2356566409 GWOSVBIYCRFNFK-CYBMUJFWSA-N 340.331 2.626 10 1 EFCF O=C(Cn1nnc(-c2ccccc2)n1)/N=N/c1c(O)[nH]c2ccccc12 13468127 CAHDXYSYCHQZOR-FMQUCBEESA-N 347.338 2.838 10 1 EFCF CCC1(CC)C[C@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O 103202960 ZHZXQDPAOGEJRD-GOSISDBHSA-N 346.471 2.939 10 1 EFCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@H]2C[C@@H]1CCO 2356481211 ICMITNISGNSBIG-VNHYZAJKSA-N 335.444 2.737 10 1 EFCF O=C1[C@H]([C@@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 103282656 FWDXPZKJQCPPED-YJBOKZPZSA-N 327.380 2.570 10 1 EFCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC)c1O 40918094 MHNXDSMXWXLYJL-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF O=C1C(=O)c2c(nc3ncnn3c2-c2cccs2)-c2ccccc21 96917420 LEDJKYVHWXACLW-UHFFFAOYSA-N 332.344 2.899 10 1 EFCF COc1ccc(-c2c[nH]nc2-c2ccc(O)c(O)c2O)cc1OC 1857656690 KUQWDSASBXCLLP-UHFFFAOYSA-N 328.324 2.878 10 1 EFCF CCOC(=O)CN1C=C(CO)/C(=C\N=Nc2ccccn2)C(O)=C1C 377805993 OQDFTULRDZIWML-HCIZNNGFSA-N 344.371 2.594 10 1 EFCF Cc1[nH]cnc1CSCCSC(=N)NCCCc1c[nH]cn1 29217932 LULHDJGDSCRDNW-UHFFFAOYSA-N 338.506 2.565 10 1 EFCF COc1cc2c(cc1O)[C@H]1Cc3cc(OC)c(O)cc3[N@@+]1(C)CC2 257400869 CWKRVCVOEADAEH-FOIQADDNSA-O 328.388 2.906 10 1 EFCF endogenous,in-man O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O 169717692 GBYZWYUHISKQHA-UHFFFAOYSA-N 345.354 2.522 10 1 EFCF CCCc1cc(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCC)C2=O 2356797617 OEDCUBVRDCVAAP-UHFFFAOYSA-N 340.379 2.877 10 1 EFCF COc1cccc2cc3c(nc12)[C@@H](c1cc(CO)ccc1O)NCC3 963054692 JERAQVKFAMSJBT-HXUWFJFHSA-N 336.391 2.676 10 1 EFCF O=C1C(=O)c2c(nc3ncnn3c2-c2ccc(F)cc2)-c2ccccc21 96917772 YYDQFVGXSLJRCZ-UHFFFAOYSA-N 344.305 2.976 10 1 EFCF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)C(=O)C2=O)cc1 957811074 QHNHQSRCDOIKNF-INIZCTEOSA-N 328.320 2.598 10 1 EFCF Nc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1 13778570 XAMQDVKTSUBZHD-UHFFFAOYSA-N 345.410 2.506 10 1 EFCF COC(=O)C(=C\Cc1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1 150026880 ATJCRATUAFXRMR-WARLJKBDSA-N 342.347 2.864 10 1 EFCF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc(O)c(O)c1 2356566410 GWOSVBIYCRFNFK-ZDUSSCGKSA-N 340.331 2.626 10 1 EFCF COc1cc2c(cc1O)C[C@H]1c3c(ccc(OC)c3O)CC[N+]1([O-])C2 13383912 RFIKLKGLLDYNEB-PVCZSOGJSA-N 343.379 2.783 10 1 EFCF COc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)cc(O)c1O 587785847 OUENBTIKKKYUCR-DJWKRKHSSA-N 326.308 2.851 10 1 EFCF O=C1CC(=O)C(=O)C(c2c[nH]c3c(-c4ccccc4)cccc23)C1=O 169717684 AZOYPTJCKSMUGV-UHFFFAOYSA-N 331.327 2.599 10 1 EFCF C[C@H](C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2C3=O)cn1 1857574687 BLEBRXZVIYLZGW-LLVKDONJSA-N 346.342 2.971 10 1 EFCF Cc1ccc(-c2cnnc(N3CC[C@@H](c4ccc(O)c(O)c4)C3)n2)o1 103224719 KJSQMAGJTVYNTC-CYBMUJFWSA-N 338.367 2.845 10 1 EFCF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(O)c3C[N+]1(C)CC2 15052540 BGWQPJBRBKPLEO-UJONTBEJSA-O 342.415 2.915 10 1 EFCF Cc1ccc(C(=O)NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)cc1 13111941 GPKAAZRBYYBNGI-HTXNQAPBSA-N 346.412 2.674 10 1 EFCF Oc1ccccc1CN1CCOC[C@@H]1c1ncc(-c2ccncc2)[nH]1 2356300768 XQEBXDHUXJOCEN-QGZVFWFLSA-N 336.395 2.751 10 1 EFCF COc1cc(-c2ncnn2-c2ccc(N)cc2)cc(OC)c1OC 49784258 QIEWECAZXRLAQI-UHFFFAOYSA-N 326.356 2.542 10 1 EFCF COC(=O)c1ccc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1 1857774481 VKPQBTFCCWHIKH-UHFFFAOYSA-N 332.315 2.639 10 1 EFCF COC/C=C/c1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 95913576 NISIPBVHOHIEJR-CJIROOEOSA-N 344.363 2.631 10 1 EFCF biogenic,in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)cc1[N+](=O)[O-])O2 587389157 JJKDFWBQIAGXTB-HNNXBMFYSA-N 330.296 2.603 10 1 EFCF COc1cc(C(=O)OCOC(C)=O)c(-n2c(C)ccc2C)cc1OC 219904616 GPVRGBLFCIRWLS-UHFFFAOYSA-N 347.367 2.789 10 1 EFCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(F)c(F)c2)n1 13490149 GMDXGQRKXVVGEA-UHFFFAOYSA-N 345.257 2.853 10 1 EFCF CC(C)n1ccc2c(Oc3ccc(N)cc3)nc(S(C)(=O)=O)nc21 95552011 QUNRIWZXMANHFJ-UHFFFAOYSA-N 346.412 2.790 10 1 EFCF COc1cc(/C=C2/C[C@@H](c3ccc(O)c(O)c3)OC2=O)ccc1O 238787917 GYUUYVMTCTVWCZ-VDTUPGDHSA-N 328.320 2.884 10 1 EFCF CN(C)CCNC(=O)c1cccc2c(N)c3ccc(Cl)cc3nc12 27525012 ACUCBKYLGSDFPM-UHFFFAOYSA-N 342.830 2.915 10 1 EFCF Cc1c(O)cc2c3c1OC(C)(C)[C@@H](O)[C@H]3c1ccc(O)c(O)c1CC2 14724884 DHRCRPRUHZMPFM-LPHOPBHVSA-N 342.391 2.874 10 1 EFCF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)O2 587388660 FSJUGYMFSPDZKQ-CQSZACIVSA-N 330.296 2.603 10 1 EFCF O=C(CCCc1ccc(O)c(O)c1)C[C@@H](O)Cc1ccc(O)cc1 49112304 UKIXAZNFQCSDPF-KRWDZBQOSA-N 330.380 2.689 10 1 EFCF COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1O 40917126 JGIZDMYNYXRHAN-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF COc1ccc2c(c1OC)C(=O)c1cc(O)c(C)c(OC)c1C2=O 95912262 BJOFRGLKZTZIPP-UHFFFAOYSA-N 328.320 2.502 10 1 EFCF biogenic,in-vitro CCOC1(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O 1857553930 HFYDWGPNESRMGO-UHFFFAOYSA-N 326.308 2.819 10 1 EFCF Nc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1 27735366 KZIVATWWPPVQOF-UHFFFAOYSA-N 331.383 2.790 10 1 EFCF O=C1c2ccccc2-c2onc3ccc(NCCCN4CCNC4)c1c23 72136445 FXAZMTYGRNMBDT-UHFFFAOYSA-N 348.406 2.704 10 1 EFCF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(O)c1O 587400722 SPMLEDITOWIPIU-CYBMUJFWSA-N 345.351 2.712 10 1 EFCF CN(CCO)c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587192854 GVLUQGJQSKUZEY-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(C)ccc1C2=O 13334383 GFHWGVROCLLPSP-UHFFFAOYSA-N 338.315 2.621 10 1 EFCF biogenic COc1cc(OC)c2c(c1OC)C(=O)c1cc(C)cc(OC)c1C2=O 14760832 BOLZPIHJSVFVCA-UHFFFAOYSA-N 342.347 2.805 10 1 EFCF biogenic COc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 957811035 KUPYZRRBUXWPRO-SFHVURJKSA-N 328.320 2.598 10 1 EFCF O=C1[C@@H]([C@@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 103282654 FWDXPZKJQCPPED-QAPCUYQASA-N 327.380 2.570 10 1 EFCF C[C@@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2c(ccc(O)c2O)C1 27903742 LVQVVOQPRQRXGA-FZMZJTMJSA-N 329.396 2.587 10 1 EFCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)ncnc32)cc1 40878458 LUTHASWSRMIURQ-UHFFFAOYSA-N 345.410 2.977 10 1 EFCF COc1c(Oc2ccc(O)c(O)c2)oc2cc(O)c(C)c(O)c2c1=O 95486285 SBASXXFQFBEOGE-UHFFFAOYSA-N 346.291 2.725 10 1 EFCF biogenic,in-vitro C=CC(=O)Nc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O 1857598514 QELYPVPPAKKZPQ-UHFFFAOYSA-N 337.331 2.604 10 1 EFCF O=C(O)c1cc(/N=N/[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1O 44086494 MAICECPDSCAUFF-BZSIDJSBSA-N 330.296 2.576 10 1 EFCF COc1ccc(N(Cc2nn[nH]n2)Cc2ccc(F)cc2F)cc1 473124574 NMHIDXIBHRBEOK-UHFFFAOYSA-N 331.326 2.693 10 1 EFCF CCOC(=O)c1cc(/C=C/c2ccc(N3CCN(C)CC3)cc2)on1 45244883 DXLBORJJOPDTTJ-RMKNXTFCSA-N 341.411 2.774 10 1 EFCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncnc1 96934713 VQBVCVBIKPSGSG-YLJYHZDGSA-N 332.359 2.734 10 1 EFCF Cn1c2c(O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 5734346 WRLDFVYHPFHDKW-UHFFFAOYSA-N 339.347 2.993 10 1 EFCF biogenic COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2 1649940 LKLWVKCEYSPQHL-BJQOMGFOSA-O 342.415 2.915 10 1 EFCF biogenic,in-vitro COc1ccc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2OC)cc1 14645219 VKDBWLYSNXBRNO-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF biogenic Oc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1O 95603181 SYSSCSLENQQDEV-UHFFFAOYSA-N 329.381 2.768 10 1 EFCF COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(OC)cccc1C2=O 238772806 CRWVODHPRIMLFM-UHFFFAOYSA-N 340.331 2.574 10 1 EFCF COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1N(C)C 299833702 ZHCGTSVQJKKHGO-UHFFFAOYSA-N 325.412 2.889 10 1 EFCF COc1cc2c(c(O)c1O)C[C@H]1C(C)(C)c3ccccc3[C@@]1(O)C2=O 13383532 QMADYYQXCAFLSS-YWZLYKJASA-N 340.375 2.640 10 1 EFCF biogenic Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2cc(Cl)ccc21 36338801 WKPBIDFACODBMC-MLPAPPSSSA-N 337.770 2.539 10 1 EFCF COc1cc(Cc2cnc(N)nc2N)ccc1Oc1ccc(N)cc1 45169164 JEFYIORXNUPTHD-UHFFFAOYSA-N 337.383 2.615 10 1 EFCF C[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)c(O)cc2C1 6036805 XIUQIZRSMPOLOC-ABAIWWIYSA-N 329.396 2.587 10 1 EFCF CN1CCN(Cc2cc(CNCc3ccccc3F)ccc2O)CC1 473110442 WAFNHHMBHBKVSZ-UHFFFAOYSA-N 343.446 2.569 10 1 EFCF COc1ccc(C[C@H](C)NCCc2ccc(O)c(O)c2)cc1OC 26985813 IKJQDWFCCFMWQI-ZDUSSCGKSA-N 331.412 2.878 10 1 EFCF CC=C1CN(C)[C@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@H]1[C@@H]2CO 2356624584 HPORORPTQZAFFI-AYBZRNKSSA-N 338.451 2.792 10 1 EFCF CN1c2ccccc2C(=O)N2CCc3c(n(CCO)c4ccccc34)[C@H]21 1772581183 NERZOTLXKSQMEF-FQEVSTJZSA-N 347.418 2.781 10 1 EFCF Cc1ccc(O)c(C2=NN[C@@H](c3ccc(N4CCOCC4)cc3)C2)c1 49034432 OKTANGIHDWZGQM-GOSISDBHSA-N 337.423 2.976 10 1 EFCF COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3O)C[C@H]21 85948976 XFXUXIQZJARYEF-OAHLLOKOSA-N 327.380 2.771 10 1 EFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 586949761 ZQBBEWLYLUWCPO-UHFFFAOYSA-N 339.323 2.585 10 1 EFCF COc1ccc2c(c1O)[C@@H]1Cc3cc4c(cc3CN1CC2)OCO4 2356867160 VSCSJMRNBGGEEP-AWEZNQCLSA-N 325.364 2.785 10 1 EFCF Nc1ccc(Oc2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)cc1 587043413 LJRUZPZEVSYUON-HNNXBMFYSA-N 340.408 2.842 10 1 EFCF CC1(C)C=CC2=C(O)[C@@H]3C(=O)c4ccc(O)c(O)c4O[C@H]3C=C2O1 2356508887 UETNIIAIRMUTSM-QWHCGFSZSA-N 328.320 2.732 10 1 EFCF O=C(CNC(=O)Cc1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 101790458 LFVJIPYIFZTJII-QURGRASLSA-N 336.351 2.843 10 1 EFCF O=c1cccc2n1C[C@@H]1C[C@H]2CN(/N=N/c2cccc([N+](=O)[O-])c2)C1 45287806 AJLINNFJNFIEIS-SGZQFHFOSA-N 339.355 2.875 10 1 EFCF COc1ccc([C@@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 103066535 KBNRKRBZDPXMCQ-HNNXBMFYSA-N 348.358 2.986 10 1 EFCF CC(C)(C)OC(=O)N1[C@H](c2cc(F)ccc2O)SC[C@H]1C(=O)O 45298813 DQVRBRDXPSTBGQ-JQWIXIFHSA-N 343.376 2.967 10 1 EFCF COc1cc(O)c(-c2oc3cc(O)c(O)cc3c2C(=O)O)c(O)c1 238749588 ZWCDJXJONACMCM-UHFFFAOYSA-N 332.264 2.629 10 1 EFCF COc1cc2c(cc1O)CC[N+]1(C)Cc3c(ccc(OC)c3O)C[C@@H]21 2010653 JPZIEDNXIGBQCY-BJQOMGFOSA-O 342.415 2.915 10 1 EFCF COc1ccc(N2CCN(C(=S)Nc3cc(C)ccn3)CC2)cc1 198403300 XJWOVLXMSOZSCS-UHFFFAOYSA-N 342.468 2.918 10 1 EFCF COC(=O)c1cnn2c(O)c(Cc3cc(C)ccc3C)c(C)nc12 259477 GNYPKCDURBQNGX-UHFFFAOYSA-N 325.368 2.738 10 1 EFCF COc1ccccc1[C@@H]1CC(c2ccc(O)cc2O)=NN1C(C)=O 13560435 FXEKMJTZMPNOOW-INIZCTEOSA-N 326.352 2.804 10 1 EFCF CN1c2ccccc2C(=O)N2CCc3c(n(CCO)c4ccccc34)[C@@H]21 1772581184 NERZOTLXKSQMEF-HXUWFJFHSA-N 347.418 2.781 10 1 EFCF COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1C 14647577 CXBGNRLGDYQLEX-UHFFFAOYSA-N 344.319 2.902 10 1 EFCF biogenic COC(=O)CCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O 13862819 NKSFSHDRSDYECZ-UHFFFAOYSA-N 337.331 2.624 10 1 EFCF Cc1ccc([C@@H]2CNC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 1857591822 RTNNSDLGHQDELT-VQTJNVASSA-N 337.467 2.680 10 1 EFCF CCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64447310 PIUGTHUMAUZUOD-UHFFFAOYSA-N 342.303 2.892 10 1 EFCF COc1ccc2c(=O)c(OC)c(-c3cc(O)c(O)c(O)c3)oc2c1 238747456 NCTYYIJBUOKZRV-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF C[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C 587192030 QPKSVXCEPFTBJB-NSHDSACASA-N 333.391 2.831 10 1 EFCF COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)[C@H](O)C[C@@H](C)C3 2356664121 JKANPJDPAOUNFX-JOYOIKCWSA-N 338.359 2.792 10 1 EFCF C[C@@]1(c2cc(Br)cc(N)c2O)NCCc2ccc(O)cc21 963328417 FRBAVZUKPNVFHZ-MRXNPFEDSA-N 349.228 2.852 10 1 EFCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnccn1 103152128 RHROTMDHVLGYOZ-FXAWDEMLSA-N 332.359 2.734 10 1 EFCF CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@H](CC)CN2C1=O 103183061 OMTMWMAYFJRXBJ-WBVHZDCISA-N 330.428 2.556 10 1 EFCF O=C(O)CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12 29570897 JQYLPNLDOCJHJS-UHFFFAOYSA-N 345.395 2.892 10 1 EFCF COc1cc(/C=C/c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(O)c1O 587784865 DVMFNWOCPFWMBK-NSCUHMNNSA-N 344.298 2.990 10 1 EFCF CC(C)=CCC/C(C)=C/C(=O)OCC(=O)NCc1ccc(O)c(O)c1 1857642503 TYBKSGRXKAFYHA-NTEUORMPSA-N 347.411 2.950 10 1 EFCF CC=C1C[N@@+]2(C)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccc(O)cc12 2356740789 JTTRGCDSKZRQPP-AAISOIRCSA-O 339.459 2.885 10 1 EFCF [N-]=[N+]=NCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 98064044 RWZMURYMUDDFCW-AWEZNQCLSA-N 338.408 2.808 10 1 EFCF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 102734005 GOYMUEVLRVMZTP-RIBQPWQFSA-N 327.388 2.846 10 1 EFCF CCC(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 96929293 NRVVRHQGDLSEKI-XBXARRHUSA-N 342.351 2.804 10 1 EFCF COc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 957811034 KUPYZRRBUXWPRO-GOSISDBHSA-N 328.320 2.598 10 1 EFCF O=C(O)/C=C/c1ccc(O)c(OC(=O)/C=C/c2ccc(O)c(O)c2)c1 116487343 HNNACUJXXGBKTG-FCXRPNKRSA-N 342.303 2.520 10 1 EFCF O=C(O)CCc1nc2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O 1855978 IRLFTYCKEWCNLX-UHFFFAOYSA-N 346.342 2.665 10 1 EFCF CN(CCO)c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587193058 RCVZXUCBGUZMGK-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF CC1=NN(c2ccc(Br)cc2Br)C(=O)C1=O 103294290 RJKFGHVQZZYPSR-UHFFFAOYSA-N 345.978 2.503 10 1 EFCF COCC=Cc1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2 2356697223 NISIPBVHOHIEJR-MOPGFXCFSA-N 344.363 2.631 10 1 EFCF CCC(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 64446854 XIMDLCCYNKUUDJ-UHFFFAOYSA-N 342.303 2.892 10 1 EFCF CS(=O)(=O)/C=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586925981 LHEHCXYOCPPJCU-HJWRWDBZSA-N 329.381 2.953 10 1 EFCF Cn1cc(S(=O)(=O)c2ccccc2)c2cc3c(cc21)CCNCC3 40917943 VQWUSTLVSKKFKL-UHFFFAOYSA-N 340.448 2.699 10 1 EFCF CO[C@@]12CC[C@]3(C)[C@@]45CCC[C@@](C)(C(=O)O4)[C@H]5CC[C@]3(C1)C(=O)C2=O 96903170 LDBFZESXQXQQHB-DFEQRXOXSA-N 346.423 2.596 10 1 EFCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCSC3)[nH]c21 95585996 WJDWCCLHCISNOO-UHFFFAOYSA-N 349.415 2.845 10 1 EFCF CN1C(=O)NC(=O)/C(=C\Nc2ccc3cc4ccccc4cc3c2)C1=O 1772602576 MUMSAMWQVTZAKD-GZTJUZNOSA-N 345.358 2.997 10 1 EFCF O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)c(O)c1 84742557 JMKHPXINXQISGR-UHFFFAOYSA-N 346.814 2.756 10 1 EFCF CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587193170 VGIQKXOUVXXDLB-UHFFFAOYSA-N 339.395 2.820 10 1 EFCF CCN1c2ccccc2Oc2ccc(NC(=O)C[C@@H](N)C(=O)O)cc21 28527616 HHAFVKMHJVEJOY-GFCCVEGCSA-N 341.367 2.691 10 1 EFCF COc1ccc(-c2oc3c(O)c(O)ccc3c(=O)c2O)cc1OC 653899259 CXJWDHBQDVNJKN-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1c(O)cccc1O 963614871 ZMGIUAQMZBSSQW-WLRWDXFRSA-N 329.396 2.913 10 1 EFCF COc1ccc(N2[C@H]3CC[C@H]2CC(c2cnc(N)nc2N)C3)cc1 101186103 XYCNWZBKACZMAU-KBPBESRZSA-N 325.416 2.565 10 1 EFCF COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 29047786 ZGJVQBQUDYSOHW-UHFFFAOYSA-N 330.336 2.787 10 1 EFCF CC(=O)N1N=C(c2cc(O)c(O)c([N+](=O)[O-])c2)C[C@H]1c1cccs1 1911583553 OAYCFCHPFJISBS-NSHDSACASA-N 347.352 2.765 10 1 EFCF COc1cc2c(c(O)c1OC)C(=O)C[C@@H](c1cccc(O)c1O)O2 238746259 LWTUPVMZACEQIR-NSHDSACASA-N 332.308 2.527 10 1 EFCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1[N+](=O)[O-] 1772649785 BSUVNSZGFJBKGU-SOFGYWHQSA-N 329.308 2.805 10 1 EFCF COc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)n1 169685250 KYXJSFPVPWTIIS-DARPEHSRSA-N 346.354 2.898 10 1 EFCF CCOc1ccc(-n2c3c([n+](C)c2C)C(=O)c2ccccc2C3=O)cc1 1857557515 RKFRGIBSCOKWCV-UHFFFAOYSA-N 347.394 2.784 10 1 EFCF CCCN(CCC)[C@H]1CCc2cccc(OCC(=O)C=[N+]=[N-])c2C1 28088728 LKSAKYMJCQZYNX-INIZCTEOSA-N 329.444 2.914 10 1 EFCF O=c1cccc2n1C[C@H]1C[C@@H]2CN(/N=N/c2cccc([N+](=O)[O-])c2)C1 45287809 AJLINNFJNFIEIS-ILRMXLBASA-N 339.355 2.875 10 1 EFCF O=c1cc(N2CCN(Cc3ccccc3O)CC2)c2ccccc2o1 103271661 ALSTUUYSHWUFGM-UHFFFAOYSA-N 336.391 2.821 10 1 EFCF Cc1c(OCc2nnn[nH]2)cc2c(c1Cl)C(=O)C1(CCCC1)C2=O 27986885 SEWKUUPTDDGLPT-UHFFFAOYSA-N 346.774 2.680 10 1 EFCF COc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(O)c1O 587784862 DRTVTMZZAQXMRT-IHWYPQMZSA-N 338.323 2.735 10 1 EFCF COc1cc2c(Cc3ccc(O)c(O)c3)cc(C(=O)O)nc2cc1N 13490181 NAVPOTSYAPETKK-UHFFFAOYSA-N 340.335 2.526 10 1 EFCF COc1ccc2c(c1)/C(=C/c1c(OC)nc3sccn13)C(=O)N2C 84670870 SNPFPWPVICIARV-XFXZXTDPSA-N 341.392 2.930 10 1 EFCF S=C(NCc1cccnc1)SCCn1nc2ccccc2n1 653709069 WNMBORAFHWLTMC-UHFFFAOYSA-N 329.454 2.634 10 1 EFCF CCc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948969 WHBUGNHBOAWQJN-UHFFFAOYSA-N 331.397 2.869 10 1 EFCF CC(=O)Oc1cccc2c1C(=O)c1ccc(C)c(OC(C)=O)c1C2=O 13334391 MMPHVEIGWUJNAU-UHFFFAOYSA-N 338.315 2.621 10 1 EFCF biogenic COc1cc([C@@H]2CC(=O)c3c(O)c(O)c(OC)c(C)c3O2)ccc1O 238759277 VMKLLYMXEWIDNM-LBPRGKRZSA-N 346.335 2.836 10 1 EFCF CCc1cc(C)cc(CC)c1C1C(=O)N2[C@@H](C)COC[C@H](C)N2C1=O 103192086 WJLCNOFZDJXVSZ-KBPBESRZSA-N 344.455 2.596 10 1 EFCF Cc1c(O)cc2c3c1OC(C)(C)[C@H](O)[C@@H]3c1ccc(O)c(O)c1CC2 14724882 DHRCRPRUHZMPFM-VQIMIIECSA-N 342.391 2.874 10 1 EFCF biogenic CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@H]1CCO 2356481209 ICMITNISGNSBIG-NFAWXSAZSA-N 335.444 2.737 10 1 EFCF C[C@@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2cc(O)c(O)cc2C1 6020986 XIUQIZRSMPOLOC-NHYWBVRUSA-N 329.396 2.587 10 1 EFCF COc1cc(CC[C@@H](O)CC(=O)CCc2ccccc2)cc(O)c1O 70455140 TUHQEHSIXLLTOG-QGZVFWFLSA-N 344.407 2.992 10 1 EFCF biogenic,in-vitro COc1cccc(C2=Nc3nnnn3[C@@H](c3ccc(N(C)C)cc3)C2)c1 13127582 ACOUEIVZEKVRSQ-GOSISDBHSA-N 348.410 2.862 10 1 EFCF COc1ccc2c(c1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4 14612791 TWCBVLWZBWYIRW-KBPBESRZSA-N 325.364 2.956 10 1 EFCF biogenic,in-vitro COCC=Cc1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 2356697229 NISIPBVHOHIEJR-RTBURBONSA-N 344.363 2.631 10 1 EFCF CCN1C(=O)C(=Cc2c[nH]c3c(C)cccc23)C(=O)N(CC)C1=S 13487541 CZMWMCFESYBLKQ-UHFFFAOYSA-N 341.436 2.855 10 1 EFCF COc1ccc([C@@H]2C[C@@H](c3ccccc3O)NN2C(C)=O)cc1OC 28137012 VRWFAJSOLIRHDX-HOTGVXAUSA-N 342.395 2.949 10 1 EFCF Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc1O 95626002 CGEORJKFOZSMEZ-JSVGYJQLSA-N 342.347 2.902 10 1 EFCF in-man COCCOc1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)c(O)c1 962912229 PATXEIJWPLPETH-IBGZPJMESA-N 345.443 2.509 10 1 EFCF CCOC(=O)c1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1 587193063 RFLZQFNHWUZDED-UHFFFAOYSA-N 339.395 2.835 10 1 EFCF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(O)c(O)c([N+](=O)[O-])c1 27894576 IALCRFZLEQENBW-UHFFFAOYSA-N 332.356 2.705 10 1 EFCF COc1ccccc1OCCNCCCOc1ccc(O)c(O)c1 1857560092 ISBAPZLLRFJIGB-UHFFFAOYSA-N 333.384 2.544 10 1 EFCF C[C@@H]1CC[C@@H]2[C@H](C)C[C@@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@@]4(C)C(=O)[C@@]23C1=O 2356463174 RHJYRZFDCONQET-URLNVWPJSA-N 330.424 2.627 10 1 EFCF COc1ccc(C2=NN[C@@]3(S2)C(=O)N(C)c2ccccc23)cc1 28824764 JMJRYYLNMVMZCW-KRWDZBQOSA-N 325.393 2.523 10 1 EFCF CCCCNC(=O)c1cc(O)c(O)c(O)c1NC(=O)c1ccccc1 96285597 IWZMHFXKLAUBEP-UHFFFAOYSA-N 344.367 2.586 10 1 EFCF CC1(C)CCc2c(cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)O1 299823408 FXFMNOHBFJIVEH-UHFFFAOYSA-N 330.336 2.844 10 1 EFCF COc1ccc(C2=NN[C@]3(S2)C(=O)N(C)c2ccccc23)cc1 28824765 JMJRYYLNMVMZCW-QGZVFWFLSA-N 325.393 2.523 10 1 EFCF O=C(O)C=Cc1ccc2c(c1)OC(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356529257 ZNBCFJJIRVOXTC-HNNXBMFYSA-N 342.303 2.625 10 1 EFCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)[C@@H](O)[C@H](O)C3 2356687905 FGOXTYTYQPKJAF-OFTBXTHCSA-N 348.439 2.702 10 1 EFCF O=C(CNC(=O)/C=C/c1ccco1)N=Nc1c(O)[nH]c2ccccc12 299813257 GGPCJJVFMPFICZ-KQTYFLINSA-N 338.323 2.906 10 1 EFCF O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(F)cc2n1 13490178 KXVFUHBCTIHXTR-UHFFFAOYSA-N 329.283 2.780 10 1 EFCF COc1cc([C@H]2CC(=O)c3c(O)c(O)c(OC)c(C)c3O2)ccc1O 2356414419 VMKLLYMXEWIDNM-GFCCVEGCSA-N 346.335 2.836 10 1 EFCF CCc1cc(C)cc(CC)c1C1C(=O)N2[C@H](C)COC[C@@H](C)N2C1=O 103192087 WJLCNOFZDJXVSZ-ZIAGYGMSSA-N 344.455 2.596 10 1 EFCF CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@@H](CC)CN2C1=O 103192112 ZJUPWBFRLDXKRX-WMZOPIPTSA-N 344.455 2.598 10 1 EFCF CCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 5836108 JIOFFDNDXDHRBJ-ZWKOTPCHSA-N 332.352 2.980 10 1 EFCF COc1ccc2c(=O)n3c([n+](C)c2c1)-c1[nH]c2ccccc2c1CC3 13434332 DXEQMLVCHAWCCB-UHFFFAOYSA-O 332.383 2.539 10 1 EFCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(N)ccc2N(C)[C@H]31 95556271 JBWWYXLPFLMSDT-IBGZPJMESA-N 348.406 2.906 10 1 EFCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc([N+](=O)[O-])c1 1772580243 OSOHSSLDSHVEDP-FNORWQNLSA-N 329.308 2.805 10 1 EFCF COc1cc([C@@H]2CC(=O)c3ccc(O)c(O)c3O2)cc(OC)c1O 14644100 XVYAMQQLTDMAMG-LBPRGKRZSA-N 332.308 2.527 10 1 EFCF biogenic CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccc(O)c(O)c2)cc1 200213199 XCHNHFSJEGAUII-UHFFFAOYSA-N 349.452 2.916 10 1 EFCF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(/N=N/c2cccc([N+](=O)[O-])c2)C1 101879153 AJLINNFJNFIEIS-QMMPLDEZSA-N 339.355 2.875 10 1 EFCF CC1(C)CC(=O)[C-](/N=N/c2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)C1 169692325 RFWSXGZGFZSHFG-ISLYRVAYSA-N 346.319 2.940 10 1 EFCF COC(=O)c1cccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c12 587785275 JZKGMQUNHFRFMZ-SREVYHEPSA-N 340.335 2.940 10 1 EFCF C=CC(=O)Nc1ccc(NC(=O)C=C)c2c1C(=O)c1ccccc1C2=O 5600899 OILWKNBHXAQZGW-UHFFFAOYSA-N 346.342 2.711 10 1 EFCF Cc1cc2c(n1-c1ccc(C(=O)NCCN(C)C)cc1)CCCC2 6877859 DVBCUESNSVRTKD-UHFFFAOYSA-N 325.456 2.956 10 1 EFCF N=c1cc[nH]cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587249648 QEYSQSICLSFUFQ-UHFFFAOYSA-N 340.342 2.813 10 1 EFCF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)C2=O)cc1OC 957811100 UJKZHEDMKMJQBP-GOSISDBHSA-N 328.320 2.598 10 1 EFCF COc1c(O)cc2c3c1-c1c(ccc(O)c1O)C[C@]3(C)N(C)CC2 238773301 WMECLACQSDTZFD-IBGZPJMESA-N 327.380 2.738 10 1 EFCF O=C1CSC(=S)N1Cc1nnc(-c2cccc(Cl)c2)o1 103265635 WHYORFONBBCSRM-UHFFFAOYSA-N 325.802 2.750 10 1 EFCF COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 28824729 VLEWRHSYUKZHIL-KRWDZBQOSA-N 325.393 2.807 10 1 EFCF Oc1cc2c(cc1O)C[C@H](N[C@@H]1CCc3c(ccc(O)c3O)C1)CC2 26975131 HUPOJGQXYGBNCR-HUUCEWRRSA-N 341.407 2.513 10 1 EFCF O=C1CSC(=S)N1Cc1nnc(-c2ccccc2Cl)o1 103265652 FDWBONZIBSYPTO-UHFFFAOYSA-N 325.802 2.750 10 1 EFCF O=C(O)C=Cc1ccc(OC(=O)C=Cc2ccc(O)c(O)c2)c(O)c1 2356407917 OVUKUCRWFALMTD-UHFFFAOYSA-N 342.303 2.520 10 1 EFCF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc(O)c1O 587785901 PNVPQDDXPSETEQ-IHWYPQMZSA-N 326.308 2.882 10 1 EFCF COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(O)c1O 96927040 OUYTUPXJQMYRAV-UHFFFAOYSA-N 328.242 2.763 10 1 EFCF CN1c2ccccc2C(=O)N2[C@@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@H]12 15211782 QSOXJKJJXRDDNM-SJLPKXTDSA-N 347.374 2.768 10 1 EFCF biogenic COc1cc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc(OC)c1O 40421379 MYEARWVJGJSPPI-UHFFFAOYSA-N 330.292 2.594 10 1 EFCF CCCCOC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Cl)cc2c1 1857560468 RBGGSQWGXKVDOF-UHFFFAOYSA-N 338.743 2.927 10 1 EFCF CC(=O)[C@@H]1COC[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@H]2N1C 2356401372 BCDGQPTVEFBAKZ-LPXKSRHMSA-N 338.451 2.947 10 1 EFCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O 238741850 UEKAWZIDGBZQOP-XXGZNAFDSA-N 348.439 2.835 10 1 EFCF COc1cc2c(cc1OC)CN1CCc3cc(O)c(O)cc3[C@@H]1C2 205509718 BTUIZHMEGKWEMO-HNNXBMFYSA-N 327.380 2.771 10 1 EFCF COc1cccc2c1-c1c3c(c(OC)c4c1C(=NCC4)C2=O)OCO3 40865121 CDEGYDHOSZWVIX-UHFFFAOYSA-N 337.331 2.641 10 1 EFCF biogenic CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(O)c1O 653819598 FTDRGUWUBSRADZ-RAXLEYEMSA-N 326.377 2.702 10 1 EFCF CN1C(=O)S/C(=C\c2cc(O)c(O)cc2Br)C1=O 1857551365 XUCBEVXLKDEGCU-OQFOIZHKSA-N 330.159 2.526 10 1 EFCF CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@@H](CC)CN2C1=O 103183055 OMTMWMAYFJRXBJ-DOTOQJQBSA-N 330.428 2.556 10 1 EFCF O=C(Cn1ccnc1/N=N/c1ccc([N+](=O)[O-])cc1)N1CCCC1 1772573469 MLWRRGDHFDDSNI-ISLYRVAYSA-N 328.332 2.829 10 1 EFCF C[C@@H]1CC[C@@H]2[C@H](C)C[C@@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@]4(C)C(=O)[C@]23C1=O 2356463173 RHJYRZFDCONQET-NCRSVYBDSA-N 330.424 2.627 10 1 EFCF CN(CCO)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587193048 QRJDUNCTRHIJPA-UHFFFAOYSA-N 347.216 2.816 10 1 EFCF Cc1ccc(O)c(C2=NN[C@H](c3ccc(N4CCOCC4)cc3)C2)c1 49034430 OKTANGIHDWZGQM-SFHVURJKSA-N 337.423 2.976 10 1 EFCF OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1CO)OCO3 96909444 IVGSVRSVEGRWGW-UHFFFAOYSA-N 340.331 2.631 10 1 EFCF c1ccc(Cn2nnc(NCc3ccc(N4CCCC4)cc3)n2)cc1 95665651 KZTBGSZDXCTGAM-UHFFFAOYSA-N 334.427 2.934 10 1 EFCF COc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1C 586948241 LZNWTQYXSOCLCP-UHFFFAOYSA-N 347.396 2.624 10 1 EFCF COc1ccc(-c2oc3c(OC)cc(O)c(O)c3c(=O)c2OC)cc1 14645040 KWMZJLJVRODPGP-UHFFFAOYSA-N 344.319 2.897 10 1 EFCF biogenic O=C1[C@@H]([C@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 103282650 FWDXPZKJQCPPED-CRAIPNDOSA-N 327.380 2.570 10 1 EFCF