smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccc(Oc2ccc(-c3cc(N4CCOCC4)[nH]n3)cc2)cc1 28869256 XTXYJSGSFORJKH-UHFFFAOYSA-N 336.395 3.288 10 1 EGCF CC[C@@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O 101348951 KCHMXUWJBJGRSL-CYBMUJFWSA-N 329.445 3.392 10 1 EGCF COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1 28824749 IPZPSWBUSLBCBI-MRXNPFEDSA-N 345.811 3.152 10 1 EGCF CC(C)=CCc1cc2c(=O)c3c(O)cc(O)cc3oc2c(O)c1O 238777909 VWNZYFOIFIVART-UHFFFAOYSA-N 328.320 3.277 10 1 EGCF Cc1cc(OCCN(C)C)cc2oc3c(c12)C(=O)c1ccccc1C3=O 13651665 QWNOWDDTSFLVSY-UHFFFAOYSA-N 349.386 3.457 10 1 EGCF CC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32 27898591 BAEBTATWQHOXOU-KUMCFWLYSA-N 340.423 3.260 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)[C@H]1N2C 95556899 DNEGUQDAKBJRTF-IBGZPJMESA-N 349.390 3.029 10 1 EGCF COc1c2c(cc3ccoc13)C(=O)c1cc(C(C)(C)O)oc1C2=O 238781209 CIBGIXXWGAEWLV-UHFFFAOYSA-N 326.304 3.037 10 1 EGCF COc1cc(N(C)C)ccc1CN(C)CCc1ccc([N+](=O)[O-])cc1 28396454 FBQWWPWFSXCSQN-UHFFFAOYSA-N 343.427 3.344 10 1 EGCF CCOC(=O)c1cccc(N2N=C(C)/C(=C/c3ccncc3)C2=O)c1 1857765567 LOBZQNJOIWRBHR-BOPFTXTBSA-N 335.363 3.064 10 1 EGCF COc1cccc([C@H]2CN(c3ccc(OC)c(OC)c3)CC[C@@H]2N)c1 28821831 JIDSRABYUSVIKD-MSOLQXFVSA-N 342.439 3.034 10 1 EGCF CC(=O)Nc1ccc(-c2cccnc2NCc2ccccc2O)cn1 621430439 WFNSNYAPPPFIEC-UHFFFAOYSA-N 334.379 3.420 10 1 EGCF N=NCC(=O)OC(COCc1ccccc1)COCc1ccccc1 73369420 ROXXZCFSXLDIDJ-UHFFFAOYSA-N 342.395 3.363 10 1 EGCF CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@H]1C(=O)c1ccco1 5838539 UOOGYSAHQAMOKC-INIZCTEOSA-N 348.358 3.346 10 1 EGCF CC1=NC(=O)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]1C(=O)OC1CCCC1 169719507 MNZMLTIMKRWYRB-SJORKVTESA-N 343.427 3.080 10 1 EGCF CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N)cc1 28762562 GTHGMQHQPVDFRV-UHFFFAOYSA-N 335.835 3.225 10 1 EGCF CN(C)c1ccc(CNCCCNCc2ccc(N(C)C)cc2)cc1 34042929 UCVBNHJQXVIAEU-UHFFFAOYSA-N 340.515 3.088 10 1 EGCF COc1ccc2c(c[n+](C)c3c4cc(O)c(O)cc4ccc23)c1OC 45259358 SIYWDWQSUREEIV-UHFFFAOYSA-O 336.367 3.399 10 1 EGCF Oc1cccc2c1CN[C@H](CN1CCC3(CCc4ccccc43)CC1)C2 34659324 LSDHJVNCQHDVCX-IBGZPJMESA-N 348.490 3.387 10 1 EGCF CN(C)c1ccc(C=C2SC(=N)N(c3nccs3)C2=O)cc1 1857619873 WNCXQEROKFAAEA-UHFFFAOYSA-N 330.438 3.265 10 1 EGCF Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1 26380407 MQFYXEQJKHBYSZ-CYBMUJFWSA-N 339.313 3.100 10 1 EGCF Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)NCc1ccco1 420678 NQWOPGSQUFRKKK-UHFFFAOYSA-N 345.399 3.228 10 3 EGCF O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952422 KIEAPLSWUVOPKW-WDMOLILDSA-N 344.308 3.125 10 1 EGCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(O)c1O)CC2=O 587489039 MGTPRAKGHBHDBS-OAHLLOKOSA-N 330.336 3.168 10 1 EGCF Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 28888594 SIIZQCBBSNBPKG-LCYFTJDESA-N 328.418 3.457 10 1 EGCF CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 95555228 PLPWVVCBUWODOH-SFHVURJKSA-N 337.354 3.160 10 1 EGCF COc1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1 28955761 JXZVCMWWCLKOND-UHFFFAOYSA-N 325.456 3.102 10 1 EGCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCCCCc1ccccc1 96917380 LTFZFSRATHQEQR-ACCUITESSA-N 347.436 3.011 10 1 EGCF Oc1nc(CSC(=S)NCc2ccccn2)nc2ccccc12 653691064 GCYWFFICDRTKJE-UHFFFAOYSA-N 342.449 3.038 10 1 EGCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1ccc(Cl)cc1O 1857575035 FDBWZGMIZWBPDL-UHFFFAOYSA-N 344.846 3.278 10 1 EGCF CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)CC3 13379895 PFAGNKVPEVROSU-SJLPKXTDSA-N 342.391 3.239 10 1 EGCF biogenic O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(O)c1 261123414 JVXYSLOVQHIULD-UHFFFAOYSA-N 336.376 3.187 10 1 EGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccn3)[nH]c21 28643901 RLDKVMCWOQMHIG-UHFFFAOYSA-N 325.327 3.400 10 1 EGCF CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 28456447 PWZSWARFJDGWPT-UHFFFAOYSA-N 333.343 3.352 10 1 EGCF COc1cc2c(cc1OC)[C@@](C)(c1cccc(N)c1O)N(C)[C@@H](C)C2 962570803 NUTZSLABZUCKMC-FKIZINRSSA-N 342.439 3.132 10 1 EGCF NCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28639750 KDEIFLYWIFIENV-UHFFFAOYSA-N 332.403 3.342 10 1 EGCF O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(O)c2)n1 584905546 USZFAGSFWNNZLX-UHFFFAOYSA-N 325.295 3.236 10 1 EGCF in-vitro CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O 100780315 UXVPWKDITRJELA-PFRQMTDMSA-N 346.423 3.258 10 1 EGCF endogenous,in-man CC1=NN(C(=O)CN2C[C@@H](C)C[C@@H](C)C2)[C@H](c2ccccc2O)C1 653729246 PHHUIJTZVSABJB-VBQJREDUSA-N 329.444 3.019 10 1 EGCF O=C(CCNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 13543926 SUMOKPIHVGAOAB-DQRAZIAOSA-N 336.351 3.304 10 1 EGCF CCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 103297444 IFHQKKXJNWFYHA-POZUXBRTSA-N 339.483 3.055 10 1 EGCF O=C1c2ccsc2C(=O)c2c(I)cccc21 653790966 PZACQZPLQHVPQS-UHFFFAOYSA-N 340.141 3.128 10 1 EGCF CC(C)=CC[C@]12O[C@H](C(C)(C)O)C[C@H]1C(=O)c1ccccc1C2=O 238769170 MRHRLPQBVGIOOL-FTRWYGJKSA-N 328.408 3.337 10 1 EGCF COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O 587418619 ABQRHDJCLRANLQ-DYZYQPBXSA-N 332.739 3.249 10 1 EGCF [N-]=[N+]=N[C@@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O 73258601 AEPONWAIPDMTRB-IBGZPJMESA-N 332.363 3.454 10 1 EGCF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4cccc(O)c4O)o3)oc2c1 1857584896 CIGAFJIFVCSFCN-UHFFFAOYSA-N 339.263 3.469 10 1 EGCF COc1cccc2c1C(=O)N[C@]21Oc2cc(C)cc3ccc(O)c1c23 2356327677 GPENGJFTMNVPAP-FQEVSTJZSA-N 333.343 3.199 10 1 EGCF CCc1cc(Nc2cc(=O)n(CCCCN=[N+]=[N-])c(=O)[nH]2)ccc1C 13522409 VHSOOOVDJZZZLS-UHFFFAOYSA-N 342.403 3.242 10 1 EGCF CNC1=NC(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)S1 198310193 MPCYJIHJJZOVPW-OQLLNIDSSA-N 329.400 3.423 10 3 EGCF O=C(CCN1CCC[C@@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] 253632389 BKDRVVQGOJOLEJ-GXTWGEPZSA-N 348.399 3.233 10 1 EGCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(C)c1 103252728 AABXKSSFGQCWAA-HNNXBMFYSA-N 344.459 3.444 10 1 EGCF O=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 101752115 SUMOKPIHVGAOAB-QURGRASLSA-N 336.351 3.304 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356576198 QWVWSERSLAJTNG-JRJVTICQSA-N 338.451 3.043 10 1 EGCF CCCc1cc(OC)cc2c1C(=O)c1c(OC(C)=O)cccc1C2=O 35088075 SZYSRWZUEIUPBQ-UHFFFAOYSA-N 338.359 3.348 10 1 EGCF biogenic O=C1c2ccccc2C(=O)c2[nH]c(-c3ccnc4ccccc34)nc21 1857766234 ASURLKQZKJUQMG-UHFFFAOYSA-N 325.327 3.400 10 1 EGCF CCCNC(=O)C[C@@H]1CCN(Cc2ccc(OC)cc2O)C[C@H]1CC 2356858146 SWLCPRHHYQNELC-CVEARBPZSA-N 348.487 3.165 10 1 EGCF CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C 5858283 OPCSQRSUUMAUCI-ZFWWWQNUSA-N 329.312 3.247 10 1 EGCF COc1ccc2c(c1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)C)OCO4 14612792 SEVMOGRSZTVBKT-GJZGRUSLSA-O 340.399 3.101 10 1 EGCF CCN(CC)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 95592830 AXTQCFKNRQCRPG-UHFFFAOYSA-N 333.391 3.180 10 1 EGCF COc1cc(C)c([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963609559 NNNOSFCDBKHAQH-ODXCJYRJSA-N 343.423 3.350 10 1 EGCF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1O 40974961 ZCDJWPYGEPDDES-UHFFFAOYSA-N 332.352 3.194 10 1 EGCF COc1ccc(N2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587397236 YJDASYCHAGAUEO-HXUWFJFHSA-N 338.407 3.200 10 1 EGCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2OC)cc1 28950830 UOXAGFFUNGHFNM-GOSISDBHSA-N 329.352 3.023 10 1 EGCF CCCCn1c2c([n+](CCCC)c1C)C(=O)c1ccccc1C2=O 1857585935 QDODIYVBBCOVHV-UHFFFAOYSA-N 325.432 3.460 10 1 EGCF Cc1c2ccc3c(c2c[n+]2ccc4cc5c(cc4c12)OCO5)OCO3 238745333 TUPPMLVVOPWOPV-UHFFFAOYSA-N 332.335 3.498 10 1 EGCF O=C1c2c(O)cccc2Cc2cc(Cc3ccc(O)c(O)c3)cc(O)c21 13736897 HOIFAQLJOREXHE-UHFFFAOYSA-N 348.354 3.235 10 1 EGCF CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@H]1C=CC=C(O)[C@H]1C3=O 2356460108 JWKDBPWZFDSZNS-FZMZJTMJSA-N 336.343 3.437 10 1 EGCF O=C(NC[C@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1 28823007 HDPFMCMDLYCCFT-CWIOURORSA-N 339.391 3.177 10 1 EGCF Oc1nc(CSC(=S)NCc2ccncc2)nc2ccccc12 653697844 UHXJUCDZWGWMHT-UHFFFAOYSA-N 342.449 3.038 10 1 EGCF Cc1cc(C)c(C2C(=O)N3C[C@H]4CCCC[C@@H]4CN3C2=O)c(C)c1 103274743 MPGMKMFNGKMGDH-HZPDHXFCSA-N 326.440 3.101 10 1 EGCF Nc1c2ccccc2nc2c(C(=O)NCCN3CCCCC3)cccc12 29249882 XUSGYXPYASDERJ-UHFFFAOYSA-N 348.450 3.186 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@](O)(OC3)C2=O 13383642 QSIDWHUMYVSCLI-YSIASYRMSA-N 346.423 3.200 10 1 EGCF CCN1C(=O)/C(=C/C=C/c2cccc3ccccc23)C(=O)NC1=S 1857746066 GLVPOCYTZXVYNM-RTTAIKLSSA-N 336.416 3.043 10 1 EGCF O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2cc(O)c(O)cc21 13737759 LFSDKGGCJYTRPG-UHFFFAOYSA-N 335.315 3.305 10 1 EGCF COc1ccc(N2CC[C@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC 28821829 DQJXBZGPJVSWFI-MSOLQXFVSA-N 326.440 3.333 10 1 EGCF COc1ccc(OC)c(-c2ccc(O)c(CNCCCN(C)C)c2)c1 53193481 LWFIFMCNENFYKO-UHFFFAOYSA-N 344.455 3.118 10 1 EGCF COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1OC 587786823 YENFMSNPQBHYGY-PLNGDYQASA-N 342.351 3.170 10 1 EGCF CN(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NC(=O)N2)cc1 103162017 ORTGPCSALZQBGR-MRXNPFEDSA-N 338.367 3.305 10 1 EGCF CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H](c1ccc(O)c(O)c1)CC3 13379893 PFAGNKVPEVROSU-FUHWJXTLSA-N 342.391 3.239 10 1 EGCF biogenic COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(C(=O)O)cc2)c1 169723232 IFRGDVYCLVLQPU-CZIZESTLSA-N 338.323 3.492 10 1 EGCF Oc1ccccc1CN[C@H]1CCCC[C@@H]1NCc1ccccc1O 45168575 AUKMFZCZQNIMED-ROUUACIJSA-N 326.440 3.288 10 1 EGCF CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 40872312 AFMCJUGPIJIAOB-JNXQLMTMSA-N 345.439 3.098 10 1 EGCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1 96934706 SWELDZSHHQGRTA-WIYYLYMNSA-N 331.371 3.339 10 1 EGCF Cc1cc(C)c(O)c(CN2CCN(C(C)C)CCN(C(C)C)CC2)c1 19365658 FTKZZHSDJJJMRC-UHFFFAOYSA-N 347.547 3.245 10 1 EGCF COc1ccccc1NCc1nc2c(o1)-c1ccccc1C(=O)C2=O 653715972 BWZQAPGAGCNGRC-UHFFFAOYSA-N 334.331 3.341 10 1 EGCF COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3 14725338 OECMNJJHZOYHIF-CYBMUJFWSA-O 342.415 3.012 10 1 EGCF O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@H]12 169329587 IAZDPBQFVGPXEJ-SJORKVTESA-N 348.276 3.431 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N 1572459 NFXKGLBUURRKEA-JPUXWFAOSA-N 345.439 3.224 10 1 EGCF in-man O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc3c(c(O)c21)C=CCCO3 2356460593 BTIIMTBXBCEZPA-OAHLLOKOSA-N 340.331 3.306 10 1 EGCF COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2N(C)C1 29487602 XVMWFBHUQPZHDJ-HHXXYDBFSA-N 340.467 3.430 10 1 EGCF O=C1c2ccccc2C(=O)c2c(-c3cc(Cl)c(O)cc3O)noc21 84704650 KRTSBYWQIQMSOT-UHFFFAOYSA-N 341.706 3.182 10 1 EGCF COc1ccc(S(=O)(=O)Nc2ccc(O)c3c2CCCC3)cc1 299835259 XDEGYZDBWBIXHK-UHFFFAOYSA-N 333.409 3.080 10 1 EGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1O)O2 587391924 URTRIRHPODWBCF-QGZVFWFLSA-N 349.390 3.483 10 1 EGCF O=C(NCCc1ccc(Cl)cc1)N1CCc2cc(O)c(O)cc2C1 29131771 BEVKMBYRCPSWIG-UHFFFAOYSA-N 346.814 3.062 10 1 EGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc2ccccc2c1 1911576423 GAVPBIWPBMFORA-UHFFFAOYSA-N 325.327 3.196 10 1 EGCF CC(=O)N1N[C@@H](c2ccc(O)cc2O)C[C@H]1c1ccc(Cl)cc1 28333460 PHFSNTOOVDYWOA-CVEARBPZSA-N 332.787 3.290 10 1 EGCF CC(=O)C[C@H](C)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O 2356855413 RCZRUKYNTZBHDI-JTQLQIEISA-N 330.336 3.010 10 1 EGCF CC(=O)N1N=C(c2c(O)cccc2O)C[C@H]1c1ccc(Cl)cc1 35876003 HNZOTFPWWGTZJC-AWEZNQCLSA-N 330.771 3.449 10 1 EGCF Cc1nc(N)sc1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 101602022 CXQQIYUROQSAER-VHEBQXMUSA-N 328.401 3.247 10 1 EGCF COc1cccc(C/N=N/c2nc3ccccc3n3cnnc23)c1O 169691987 FWAGIDRTQHVADW-DYTRJAOYSA-N 334.339 3.276 10 1 EGCF COc1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O 587786782 XDSFONPHCFUNPU-NSCUHMNNSA-N 335.722 3.341 10 1 EGCF CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)c1ccccc1C2=O 73240438 KJNYEQYOEFMWNG-UHFFFAOYSA-N 347.370 3.454 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N 5649041 NFXKGLBUURRKEA-RKURPORMSA-N 345.439 3.224 10 1 EGCF endogenous,in-man Cc1ccc(S(=O)(=O)N[C@H](CN=[N+]=[N-])Cc2ccccc2)cc1 40875163 FISLNHLJKWZRQX-HNNXBMFYSA-N 330.413 3.195 10 1 EGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@H]21 95557771 APDMAGXYUFMWLF-SFHVURJKSA-N 348.362 3.223 10 1 EGCF COc1ccc2c(c1)[C@](C)(CCOc1ccc(N(C)C)cc1)C(=O)N2 1772596895 RHIPPLBIVAYXBN-FQEVSTJZSA-N 340.423 3.440 10 1 EGCF CCOc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC)c2c1 205029137 VRDGDFQKJLUFSD-UHFFFAOYSA-N 334.379 3.358 10 1 EGCF O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCC3 96907907 YEAYEEAEMASIJH-UHFFFAOYSA-N 328.393 3.332 10 1 EGCF Cc1cc(C)c([C@@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1 299847290 MPGMKMFNGKMGDH-ALXJQNPVSA-N 326.440 3.101 10 1 EGCF O=C1/C(=C\Nc2cc[nH]n2)C(c2ccccc2)=NN1c1ccccc1 72175940 WWWOXRYQWXPRGG-SSZFMOIBSA-N 329.363 3.157 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1 27895729 SLPSVJIWZMVKLA-BBRMVZONSA-N 327.424 3.272 10 1 EGCF COc1ccc(N2CC[C@@H](N)[C@@H](c3ccc(C)cc3)C2)cc1OC 28821824 COFQOLZLTHNISM-QZTJIDSGSA-N 326.440 3.333 10 1 EGCF O=C1C[C@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587532809 OAVUURDQKDTRLN-MRXNPFEDSA-N 326.348 3.389 10 1 EGCF Cc1cc2c(cc1F)[C@H](c1ccc(N3CCN(C)CC3)cc1)NCC2 962381678 ZKZSFBJXZBLORI-NRFANRHFSA-N 339.458 3.121 10 1 EGCF CN(CCO)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587193031 QADNZMRKRBEWEE-UHFFFAOYSA-N 339.292 3.215 10 1 EGCF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)c(OC)c1)CC2=O 587481587 QOJCJDAWIFRYNY-INIZCTEOSA-N 344.363 3.471 10 1 EGCF Cc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C(=O)C3=O)cc1 96917424 WNUXHKPIJJIQBA-UHFFFAOYSA-N 340.342 3.146 10 1 EGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCOCC3CC3)[nH]c21 587783401 QSFBAANBFFJLPW-UHFFFAOYSA-N 346.386 3.307 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 95554803 JOYRCFZPMKTWFJ-IBGZPJMESA-N 333.391 3.323 10 1 EGCF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O 587785962 QMQPASVLOWRSKE-ARJAWSKDSA-N 341.323 3.370 10 1 EGCF C[C@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C 13480662 YAEYZUNXGHROJK-SSDOTTSWSA-N 328.320 3.122 10 1 EGCF biogenic CCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccco2)c2ccccc21 102667589 TURQXJIGOFGXLZ-VXPUYCOJSA-N 340.339 3.000 10 1 EGCF O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1O 35242418 JFOQNTNATRAQKE-UHFFFAOYSA-N 336.269 3.276 10 1 EGCF O=C1c2ccccc2C(=O)c2sc(-c3ccc([N+](=O)[O-])cc3)nc21 196710437 AIMJGDYLRHWZEI-UHFFFAOYSA-N 336.328 3.494 10 1 EGCF COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(O)c1O 238750692 TVMFAGHLQARTAM-CQLKUDPESA-N 330.336 3.252 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 45261713 NBTJLUQKBYDWKJ-QROBEVECSA-N 334.456 3.240 10 1 EGCF biogenic CCc1noc(-c2cc3c(s2)C(=O)c2c(OC)cccc2C3=O)n1 299831459 BVGXLVUXEHLGTE-UHFFFAOYSA-N 340.360 3.145 10 1 EGCF COc1cc(CCCOC(=O)C=Cc2ccccc2)cc(O)c1O 2356668632 WOBGSVRSEAQMSW-UHFFFAOYSA-N 328.364 3.296 10 1 EGCF O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2ccc(Cl)cc2)n1 64744442 BFGVNIGMEQBGAJ-UHFFFAOYSA-N 330.727 3.078 10 1 EGCF COc1cccc2cc3c(nc12)[C@@](C)(c1cc(F)ccc1O)NCC3 963056921 NMRKPEWWNRYSQI-HXUWFJFHSA-N 338.382 3.497 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCn3c(cc4ccccc43)[C@@H]1N2C 221951972 LOXHXWBLYXXODQ-LJQANCHMSA-N 333.391 3.254 10 1 EGCF O=[N+]([O-])c1cccc(/N=N\N(CCO)c2cccc([N+](=O)[O-])c2)c1 13154787 ZVOPJDWEKZVJSF-NXVVXOECSA-N 331.288 3.001 10 1 EGCF COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1C 587784743 CQRGOZHRWSGIKN-SNAWJCMRSA-N 326.352 3.470 10 1 EGCF COc1cc(C)c([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963609556 NNNOSFCDBKHAQH-MPBGBICISA-N 343.423 3.350 10 1 EGCF CN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 13447142 DHKYCFXOSLNAFZ-AWEZNQCLSA-N 348.240 3.480 10 1 EGCF O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 3834107 UHAYRLFHKPULPX-UHFFFAOYSA-N 335.315 3.305 10 1 EGCF Oc1ccc([C@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1 26388886 JIIHUNLFECGWFB-LLVKDONJSA-N 340.206 3.388 10 1 EGCF COc1cccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)c1 169723251 CPFIVTHGQWRDKP-CZIZESTLSA-N 325.328 3.198 10 1 EGCF O=C1CC[C@@H](c2ccc(O)c3c2C(=O)CCC3=O)c2cccc(O)c21 1857554615 UKSYTKLXXKYZMC-SNVBAGLBSA-N 336.343 3.365 10 1 EGCF O=C1N=C(NCc2ccccn2)S/C1=C\c1ccc2ncccc2c1 28821279 VUMVELURNGOAFL-BOPFTXTBSA-N 346.415 3.390 10 1 EGCF CCc1ccc2c(c1)C(=O)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 957811006 CKRKPMQPDVOTQP-IBGZPJMESA-N 326.348 3.152 10 1 EGCF Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2cc(Cl)ccc21 28572238 QKHVMAYJJONYLG-SDQBBNPISA-N 342.811 3.206 10 1 EGCF [N-]=[N+]=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 28007985 ZDDHNKMOQYTXAB-UHFFFAOYSA-N 348.450 3.027 10 1 EGCF O=C(O)c1ccc(/N=N/Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 169689844 NNLHRBLEWXHMQK-WUKNDPDISA-N 329.268 3.306 10 1 EGCF CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2356444585 AFMCJUGPIJIAOB-HOTGVXAUSA-N 345.439 3.098 10 1 EGCF COc1ccc(/C=C/c2cc(=O)c3ccc(O)c(O)c3o2)cc1OC 45347327 XLONGRCQWOIPIW-HWKANZROSA-N 340.331 3.392 10 1 EGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccccc45)[C@H]2C[C@H]1[C@H]3C(=O)OC 2356393622 OKYAOWBTRGINKO-LORHWOILSA-N 336.435 3.388 10 1 EGCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccccc1C(F)(F)F 1911584975 XPJLLPDBSQGADL-UHFFFAOYSA-N 343.264 3.062 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 86004460 GUNGXQJKXNQLMP-STYXZAMGSA-N 348.439 3.289 10 1 EGCF Oc1cc2c(c(Br)c1O)CCNC[C@H]2c1ccccc1 13447136 XKTGLDSNABUNGD-ZDUSSCGKSA-N 334.213 3.138 10 1 EGCF O=C(CSc1nnc(-c2ccc(O)c(O)c2)o1)c1ccccc1 1857744354 VOGAOPWYCQZVBB-UHFFFAOYSA-N 328.349 3.123 10 1 EGCF CCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29250827 RDCOFTHAAXCTOG-CQSZACIVSA-N 340.375 3.487 10 1 EGCF COc1cccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)c1 653716021 UHDVNQKBOKPTHQ-UHFFFAOYSA-N 334.331 3.341 10 1 EGCF Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3O)N(C)C2=S)cc1 653840662 AZQDQHWHAOSFQR-UVTDQMKNSA-N 340.404 3.011 10 1 EGCF O=C(c1ccc[nH]1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295564 HWIJNEYNLNZLHH-KRWDZBQOSA-N 332.363 3.107 10 1 EGCF CCCC[n+]1c2c(n(CC(C)C)c1C)C(=O)c1ccccc1C2=O 1857561165 RXFVYIBRTVBHPE-UHFFFAOYSA-N 325.432 3.316 10 1 EGCF CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O 26672759 QWLIKFWCIBHHIP-UHFFFAOYSA-N 339.391 3.018 10 1 EGCF Cc1cnc(N2CCC[C@H]2C)nc1NCc1ccc(N(C)C)cc1 82202751 VPUWEAWQJANRGZ-OAHLLOKOSA-N 325.460 3.452 10 1 EGCF O=C(O)c1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1 617995171 XNZSQEXBCNZTSN-UHFFFAOYSA-N 345.336 3.044 10 1 EGCF CC(C)=CCc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O 14763066 ACRGTLGOYYTGNX-UHFFFAOYSA-N 328.320 3.277 10 1 EGCF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CC4(COC4)C3)[nH]c21 586915237 JQNUAVJGEACEHC-UHFFFAOYSA-N 344.370 3.232 10 1 EGCF CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2O)NC(=O)N1 73314330 KUBAVBUXUJCRMO-KRWDZBQOSA-N 344.411 3.144 10 1 EGCF CCOCCOCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587778790 PVBWDSJZCHCHSU-UHFFFAOYSA-N 327.384 3.491 10 1 EGCF CC(C)=CCc1cc(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c12 238755203 OFHYTVADIBHTFQ-UHFFFAOYSA-N 328.320 3.277 10 1 EGCF COc1cccc(/C=C/n2cc(/C=C/c3ccc(O)c(O)c3)nn2)c1 653811151 ZOIYJSDHTGGCFW-GLVZAGOZSA-N 335.363 3.496 10 1 EGCF COc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1 101549576 FFADRNSNSAWWMA-ISLYRVAYSA-N 331.353 3.355 10 1 EGCF C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 27979047 SEVVMFQGAQZCPX-CXAGYDPISA-N 327.424 3.272 10 1 EGCF O=C(CNCc1cc(Cl)c2cccnc2c1O)Nc1ccccc1 1857603051 ZUFWYNDCNPXQNR-UHFFFAOYSA-N 341.798 3.322 10 1 EGCF O=C(NC[C@@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 28823008 HDPFMCMDLYCCFT-IDOMTICXSA-N 339.391 3.177 10 1 EGCF COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1 28824735 CRWOZUDCPSMNEQ-INIZCTEOSA-N 345.811 3.152 10 1 EGCF Oc1cc(/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O 98084313 ZYTZMRDZNJJENR-OWOJBTEDSA-N 339.141 3.148 10 1 EGCF CN(CCc1ccc(O)c(O)c1)C(=O)NCCc1ccc(Cl)cc1 1857619665 QLLATVPZVWYEJA-UHFFFAOYSA-N 348.830 3.178 10 1 EGCF COc1ccc(N2CC[C@H](N)[C@H](c3cccc(C)c3)C2)cc1OC 35942375 DQJXBZGPJVSWFI-ROUUACIJSA-N 326.440 3.333 10 1 EGCF in-vivo COc1ccc(C[C@@H]2c3c(ccc(OC)c3O)CC[N+]2(C)C)cc1 6068299 BHQMCLZFWRUADA-QGZVFWFLSA-O 328.432 3.326 10 1 EGCF biogenic,in-vitro O=c1c2c([nH]c3c(/N=N/c4ccccc4Cl)c(O)nn13)CCC2 377853405 YGGUJIOPYFPJQF-VHEBQXMUSA-N 329.747 3.286 10 1 EGCF O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1O 584904869 ACRZIJAMHSRKJJ-UHFFFAOYSA-N 343.285 3.375 10 1 EGCF in-vitro Oc1ccc([C@]2(Cc3ccccc3)NCCc3ccc(O)cc32)c(O)c1 963339686 AMSABKYWGANUGE-QFIPXVFZSA-N 347.414 3.435 10 1 EGCF CC1(C)O[C@H]2c3ccc(O)cc3OC[C@@]2(Cc2ccc(O)c(O)c2)O1 34165775 RLPKXRROWWXWLU-PKOBYXMFSA-N 344.363 3.001 10 1 EGCF biogenic,in-vitro Cc1ccc(Cn2nnnc2NCc2ccc(N3CCCC3)cc2)cc1 95665642 QFVIZOMZVQBDDY-UHFFFAOYSA-N 348.454 3.242 10 1 EGCF CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 5733911 NBPISYIASRZAOP-UHFFFAOYSA-N 338.367 3.338 10 1 EGCF O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccccc1 13737750 DZKOOIBPZMGIBF-UHFFFAOYSA-N 349.342 3.025 10 1 EGCF CC(=O)N1N[C@@H](c2ccc(O)cc2O)C[C@@H]1c1ccc(Cl)cc1 28333447 PHFSNTOOVDYWOA-HZPDHXFCSA-N 332.787 3.290 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@H](C(=O)OC)[C@H]2Cc1c3n(C)c2ccccc12 2356713319 FJSJTRHCWCJIQX-OAOYMFHYSA-N 336.435 3.215 10 1 EGCF COc1ccccc1-c1nc(/C=C2\SC(=S)NC2=O)cs1 1772600151 NSLSITPWYINOFU-WDZFZDKYSA-N 334.447 3.308 10 1 EGCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1 103152117 SWELDZSHHQGRTA-GHTZIAJQSA-N 331.371 3.339 10 1 EGCF O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1cc2c3c(cccc3n1)CC2 587210719 FEYSSBSOPJQCDI-SFHVURJKSA-N 344.326 3.404 10 1 EGCF CCN(CC)CCNC(=O)c1cccc2c(N)c3ccccc3nc12 5847368 CVEJSHZPRMTEAO-UHFFFAOYSA-N 336.439 3.042 10 1 EGCF Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1O 1857574422 HOPBRIGXVRXOKR-UHFFFAOYSA-N 334.173 3.349 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2N 257491841 NFXKGLBUURRKEA-FDRFZEDHSA-N 345.439 3.224 10 1 EGCF endogenous,in-man O=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccco3)ccnc21 1857760494 DTWUDARYPXPPOB-UHFFFAOYSA-N 326.289 3.087 10 1 EGCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2O)n1 142079556 CTYYSXAFOXUHEK-GXTWGEPZSA-N 342.399 3.337 10 1 EGCF O=C(COc1cccc2ccccc12)c1cc(O)c(O)c([N+](=O)[O-])c1 13585705 XNLSGJSIPLWDLG-UHFFFAOYSA-N 339.303 3.421 10 1 EGCF C[C@@]1(c2cc3c(cc2O)CCCC3)NCCc2c(C(=O)O)cccc21 963125806 UYANMRFOMJLQKX-OAQYLSRUSA-N 337.419 3.378 10 1 EGCF CCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(C)c1 103252672 IDCAZOYSDXUCSQ-AWEZNQCLSA-N 330.432 3.054 10 1 EGCF CC(C)CN1C(=O)C(=Cc2ccccc2)C(=O)N(CC(C)C)C1=O 299866491 VXJDWXDHKHVKGE-UHFFFAOYSA-N 328.412 3.173 10 1 EGCF C[C@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 253636953 XTFJLUYMPYNUJZ-GTNSWQLSSA-N 326.356 3.295 10 1 EGCF COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O 587784627 BLQZSLSKIXIRFK-AATRIKPKSA-N 327.296 3.061 10 1 EGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@@H]21 95557770 APDMAGXYUFMWLF-GOSISDBHSA-N 348.362 3.223 10 1 EGCF Cc1cc(N(C)C)cc(C)c1[C@H]1c2ccsc2CCN1C(N)=O 962716293 WNEKPTXNNMLUTH-QGZVFWFLSA-N 329.469 3.457 10 1 EGCF Cc1cc(/N=N/Cc2ccc(O)cc2O)nc(-n2nc(C)cc2C)n1 169686952 IZEWIQJHUDRKNN-DYTRJAOYSA-N 338.371 3.283 10 1 EGCF CCCOc1ccc(N2CCN(c3noc(CC)n3)C[C@@H]2C)cc1 103248864 NXWDRRVGSHPYMQ-AWEZNQCLSA-N 330.432 3.136 10 1 EGCF CCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 5821542 AGHKRGKRLNLFJD-RBUKOAKNSA-N 346.379 3.371 10 1 EGCF CCCCN(c1ccccc1)S(=O)(=O)c1cccc2nonc12 2457868 SEMXIXNAPAQMSP-UHFFFAOYSA-N 331.397 3.218 10 1 EGCF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccc(O)c(CN(C)C)c1O 963014077 SVUJDNGBIIXQAQ-IBGZPJMESA-N 346.496 3.247 10 1 EGCF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Br)c1 43063489 JYRRDSSJHXYTFB-UHFFFAOYSA-N 334.169 3.016 10 1 EGCF COC(=O)c1cc(CCc2cc(OC)ccc2N(C)C)ccc1O 40976679 HVASVAUYMLOTIQ-UHFFFAOYSA-N 329.396 3.039 10 1 EGCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccccc2Cl)n1 13490146 UEMOONNNBNQCPD-UHFFFAOYSA-N 343.722 3.229 10 1 EGCF Nc1ccc(Oc2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)cc1 586913197 JRLXIJRHZICUSB-SFHVURJKSA-N 339.395 3.397 10 1 EGCF CC(C)C[C@H](O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586900158 ALYFRTRSCDVSKF-HNNXBMFYSA-N 334.375 3.418 10 1 EGCF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)c(O)c1)CC2=O 587488929 LAKCWYXCACUZCB-INIZCTEOSA-N 330.336 3.168 10 1 EGCF COc1c(C)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1C 14727455 QDEUSJBJDJYZOM-UHFFFAOYSA-N 328.320 3.202 10 1 EGCF biogenic,in-vitro CC1(C)C=Cc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2O1 238788308 VKHODBAYJYLMGX-UHFFFAOYSA-N 326.304 3.247 10 1 EGCF CCOc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 1772637762 BOWDVCHMOSOTNH-CSKARUKUSA-N 328.364 3.296 10 1 EGCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cc(Cl)ccc1O 1857572672 JBHASLWRJYBPQP-UHFFFAOYSA-N 344.846 3.278 10 1 EGCF COc1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O 587786780 XDSFONPHCFUNPU-IHWYPQMZSA-N 335.722 3.341 10 1 EGCF Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 28888597 JGVULLLEYMPUEJ-ZROIWOOFSA-N 326.377 3.297 10 1 EGCF O=c1cc(-c2ccccc2)oc2c(Br)c(O)c(O)c(O)c12 13584573 PSPXRBBNOBKNPX-UHFFFAOYSA-N 349.136 3.339 10 1 EGCF CN(C)/N=N\c1ccnc2cc(I)ccc12 169317466 VNRQDYRLBHWBBX-PFONDFGASA-N 326.141 3.400 10 1 EGCF COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(O)c(O)c2)cc1OC 6484673 AJXWTTNLAGSZQY-HOTGVXAUSA-N 344.407 3.163 10 1 EGCF CC=C1CN2C[C@H]3c4c(n(C)c5ccccc45)[C@H]2C[C@H]1[C@@H]3C(=O)OC 2356393621 OKYAOWBTRGINKO-GFIVTLFCSA-N 336.435 3.388 10 1 EGCF C[C@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1 49072343 SFOIMDJIVNQIRF-YXYQAXARSA-N 339.413 3.148 10 1 EGCF O=C1c2ccccc2C(=O)c2c1cc(N1CCCC1)c1nsnc21 219759500 PGYQZMSTKAHGSN-UHFFFAOYSA-N 335.388 3.067 10 1 EGCF CC[C@]1(C)C(=O)c2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27979090 XDXSTWNRNGNHIG-CQSZACIVSA-N 331.151 3.252 10 1 EGCF O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/C=C/c1cccs1 1857746717 LRPFABRWUCECRW-QXAPVUDZSA-N 340.429 3.136 10 1 EGCF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(N)cc3)nc1-2 1857772429 MGKNYUNIAOVTKY-UHFFFAOYSA-N 336.424 3.080 10 1 EGCF C[C@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21 100761412 XTFJLUYMPYNUJZ-QMTMGVMDSA-N 326.356 3.295 10 1 EGCF COc1cc(/N=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N 13151850 GDLRISJAOGNLPD-MRCUWXFGSA-N 337.383 3.491 10 1 EGCF N=NNCc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 169718381 KJSOHAHEBXGLQQ-UHFFFAOYSA-N 337.358 3.226 10 1 EGCF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)c(O)ccc4oc23)O1 14780240 QFCIGJXDFQIUTI-UHFFFAOYSA-N 326.304 3.247 10 1 EGCF biogenic,in-vitro CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O 100807897 YAIJKHXXALVHKX-XNTDXEJSSA-N 340.766 3.488 10 1 EGCF CC[C@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O 100974883 GMPNUHPEJBLTLS-ZDUSSCGKSA-N 329.445 3.229 10 1 EGCF CCOC(=O)c1sc2nc(OCc3cccnc3)cc(C)c2c1N 95569039 IPRZDKJBCFSUGK-UHFFFAOYSA-N 343.408 3.338 10 3 EGCF CC1=NC(=O)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C(=O)OC1CCCC1 169719509 MNZMLTIMKRWYRB-IRXDYDNUSA-N 343.427 3.080 10 1 EGCF COc1ccccc1/C=C1\C(=O)N(C(=O)Cc2ccccc2)N=C1C 5842876 JEYDXNXMRWPXGG-LGMDPLHJSA-N 334.375 3.066 10 1 EGCF CN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2Br)C1 1911584475 XOPSFRSCGXGEPQ-AWEZNQCLSA-N 348.240 3.480 10 1 EGCF CN1C(=O)C[C@@H]2CN[C@H](c3c(O)cccc3Cl)c3cccc1c32 963025625 MKRDBNKOQBIUGB-MGNBDDOMSA-N 328.799 3.188 10 1 EGCF COc1ccc(Cn2c(C)nc3c2C(=O)c2ccccc2C3=O)cc1 13216725 PUYYBWVHNYXRJH-UHFFFAOYSA-N 332.359 3.024 10 1 EGCF NS(=O)(=O)c1c(F)c(F)c(/N=N/Cc2ccccc2)c(F)c1F 169729605 VENADANFECXHOL-FMQUCBEESA-N 347.293 3.174 10 1 EGCF O=C1NC(c2c[nH]c3ccccc23)=C/C1=C1/C(=O)Nc2ccccc21 85598796 OJUJNNKCVPCATE-AQTBWJFISA-N 327.343 3.045 10 1 EGCF C[C@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C 13125732 UMGNGSNVYJDUQS-SSDOTTSWSA-N 328.320 3.122 10 3 EGCF biogenic,in-vitro NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 3893907 DNJCOYQCPWJMLI-AZAGILFBSA-N 330.453 3.144 10 1 EGCF O=c1[nH]c(-c2cccc(O)c2O)nc2sc3c(c12)CCCCC3 96907910 FIGBQUAVHNBTFQ-UHFFFAOYSA-N 328.393 3.332 10 1 EGCF C[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 169689885 XPYCEFPLOABURS-WWHLIQMBSA-N 340.386 3.149 10 1 EGCF O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 13121636 LNUJHRYWQNZNCN-WBOBJJNYSA-N 341.298 3.463 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 27979040 SEVVMFQGAQZCPX-SUMWQHHRSA-N 327.424 3.272 10 1 EGCF CN1CCO[C@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1 169307097 YYNJJGDTZUNLPJ-SFHVURJKSA-N 328.437 3.026 10 1 EGCF O=C(NCCc1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857544847 JZNYARVQXYIDEL-UHFFFAOYSA-N 345.354 3.028 10 1 EGCF Oc1ccc2ccccc2c1[C@H](c1ccncc1)N1CCC(O)CC1 72178213 ANWMQIUHHCLJIN-NRFANRHFSA-N 334.419 3.487 10 1 EGCF O=C1c2cccc(O)c2C2=N[C@@H](CCCCCO)Oc3cccc1c32 96937631 MVVRRDFVSUBRSG-MRXNPFEDSA-N 337.375 3.045 10 1 EGCF CCOP(=O)(CCSC(=S)NCc1cccnc1)OCC 653711367 GLFBKUZEBGZSPU-UHFFFAOYSA-N 348.430 3.455 10 1 EGCF CN1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1 103262333 PMLNTBMWOYJECU-UHFFFAOYSA-N 336.435 3.477 10 1 EGCF COc1cccc(/N=N\c2c(N)nn3c(O)c4c(nc23)CCCC4)c1 102725477 BMAIUVFYUMWBIJ-MRCUWXFGSA-N 338.371 3.320 10 1 EGCF O=C1c2cccc(O)c2C(=O)c2c1oc1c2c(=O)oc2ccccc21 1857636613 ZNUZGQNDGGJDJB-UHFFFAOYSA-N 332.267 3.020 10 1 EGCF Oc1cccc2c1CN[C@@H](CN1CCC3(CCc4ccccc43)CC1)C2 34659325 LSDHJVNCQHDVCX-LJQANCHMSA-N 348.490 3.387 10 1 EGCF CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)c(O)c2)c[nH]c1=O 13373866 SFWFNVOTIWZXMZ-QWRGUYRKSA-N 345.395 3.414 10 1 EGCF biogenic,in-vitro O=C(c1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299831781 FLMLYZNKLBTMFK-UHFFFAOYSA-N 334.352 3.460 10 1 EGCF COc1ccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)cc1 653715975 DDODRORFNDVVLX-UHFFFAOYSA-N 334.331 3.341 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@H]21 587277535 XSTNKQMDXABTJC-MKBNYLNASA-N 348.366 3.396 10 1 EGCF O=C(Cn1ccnc1/N=N/c1ccc([N+](=O)[O-])cc1)N1CCCCC1 1772650947 PYSXUGNHYXHULH-VHEBQXMUSA-N 342.359 3.219 10 1 EGCF Cc1nnc(/N=N/Cc2cc(C)n(-c3ccc(F)cc3)c2C)n1N 169690015 AGOXAXBEUAEKKK-XUTLUUPISA-N 327.367 3.131 10 1 EGCF CCCCO[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 28364983 AGHKRGKRLNLFJD-RTBURBONSA-N 346.379 3.371 10 1 EGCF OCCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 103215246 XWFDHJWAHCWCRX-UHFFFAOYSA-N 343.814 3.419 10 1 EGCF Cc1ccc2nc3ccccc3c(NCCN3CCN(C)CC3)c2c1 45167814 LRDBGEBHNXMTOK-UHFFFAOYSA-N 334.467 3.356 10 1 EGCF CCOC(=O)c1cccc(/N=N/c2nc[nH]c2/C=C/C(=O)OC)c1 5801091 MVDXZMSQEGHTSK-QMDIKIHDSA-N 328.328 3.188 10 1 EGCF Oc1ccc(-c2c(O)c(O)c3c(oc4cc(O)c(O)cc43)c2O)cc1 14645686 KPLKPGSATMNRTH-UHFFFAOYSA-N 340.287 3.487 10 1 EGCF biogenic COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32NCCc3c(C)ccnc32)cc1 963065441 DPDFLYRPEHSKAW-TVTNDZMWSA-N 349.478 3.429 10 1 EGCF O=C(c1ccc[nH]1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295565 HWIJNEYNLNZLHH-QGZVFWFLSA-N 332.363 3.107 10 1 EGCF CCCN(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 95592160 QIXFKTJXQQVRLB-UHFFFAOYSA-N 333.391 3.180 10 1 EGCF COc1ccc2c(c1)[C@@]1(CC(=O)C(=O)c3ccccc31)N(C(C)C)CC2 962086823 DEROXJVVUGMROU-QFIPXVFZSA-N 349.430 3.361 10 1 EGCF CN(C)/N=N\c1ccnc2ccc(I)cc12 105391893 DWHAZHGFTYXVPA-PFONDFGASA-N 326.141 3.400 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2c(OC)cccc12 2356464005 UODIREBYLLUENO-DDBAPUKQSA-N 338.451 3.043 10 1 EGCF COc1cc2c(cc1OC)CN1CCc3ccc(OC)c(O)c3[C@H]1C2 13383907 HXHKKYNHNQVAAX-OAHLLOKOSA-N 341.407 3.074 10 1 EGCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCCCC3)[nH]c21 95587801 WCSHPDCBCDSOOF-UHFFFAOYSA-N 345.402 3.324 10 1 EGCF CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@@H](CC)C(=O)N1CC1CC1 100971740 UFAXABPZNIVOPU-ZDUSSCGKSA-N 345.444 3.011 10 1 EGCF Nc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 261137291 MIIIOCQOKONEOB-UHFFFAOYSA-N 335.392 3.063 10 1 EGCF CC1=NN(C(=O)CN2C[C@H](C)C[C@@H](C)C2)[C@H](c2ccccc2O)C1 653729244 PHHUIJTZVSABJB-CPUCHLNUSA-N 329.444 3.019 10 1 EGCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](/C=C/c2ccccc2)N1 103066403 SNSPYXAFPBEKAM-VNDWYCCKSA-N 344.370 3.318 10 1 EGCF CC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653700286 PTAGTYAFHNYPFJ-UHFFFAOYSA-N 335.178 3.489 10 1 EGCF CNCc1ccc(N2CCCN(C(=O)CCC3CCCC3)C2)cc1 263620411 FGLHMHLKBALILM-UHFFFAOYSA-N 329.488 3.373 10 1 EGCF in-vitro O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=N1 40914676 PSTZYUFORNONNS-HNNXBMFYSA-N 337.404 3.173 10 1 EGCF CCN(CC)S(=O)(=O)c1ccc(/N=N/Cc2ccc(O)cc2)nc1 169689649 XIMZHBKJKPGTDT-VHEBQXMUSA-N 348.428 3.102 10 1 EGCF O=c1cc(CNCc2ccccc2Cl)oc2ccc(O)c(O)c12 71331309 XAOYFPPKLSHFGL-UHFFFAOYSA-N 331.755 3.147 10 1 EGCF CC1(C)CCc2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)O1 84689612 NNWFEKLCJFLWGN-UHFFFAOYSA-N 328.320 3.167 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 95554802 JOYRCFZPMKTWFJ-LJQANCHMSA-N 333.391 3.323 10 1 EGCF COc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1 253960948 FFADRNSNSAWWMA-UHFFFAOYSA-N 331.353 3.355 10 1 EGCF O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2ccccc2Cl)n1 13490158 AKEUQXZWWMZEMM-INIZCTEOSA-N 345.738 3.079 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O 104370306 UXVPWKDITRJELA-WOCWXWTJSA-N 346.423 3.258 10 1 EGCF in-man CCCCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O 206703805 MRIZQUFULQDLNK-UHFFFAOYSA-N 326.348 3.312 10 1 EGCF O=C1OC[C@H]2CCN(Cc3ccccc3O)Cc3ccc(F)cc3N12 2356320053 CEQWNNJRIBUSBU-MRXNPFEDSA-N 342.370 3.262 10 1 EGCF Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12 29248636 YZHFTRDSTRXMDG-UHFFFAOYSA-N 342.402 3.338 10 1 EGCF O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1 587531806 HNGVAGSCWRAMMD-KRWDZBQOSA-N 326.348 3.389 10 1 EGCF COc1cccc([C@H]2CN(c3ccc(OC)c(OC)c3)CC[C@H]2N)c1 139177275 JIDSRABYUSVIKD-QZTJIDSGSA-N 342.439 3.034 10 1 EGCF CC(=O)N1N[C@H](c2ccc(O)cc2O)C[C@H]1c1ccc(Cl)cc1 28333467 PHFSNTOOVDYWOA-HOTGVXAUSA-N 332.787 3.290 10 1 EGCF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1O)CC2=O 587489038 MGTPRAKGHBHDBS-HNNXBMFYSA-N 330.336 3.168 10 1 EGCF CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NC(=O)N2)cc1 103162015 ORTGPCSALZQBGR-INIZCTEOSA-N 338.367 3.305 10 1 EGCF O=C1NC[C@H](c2ccc(N3CCCC3)cc2)N1c1ccn2ccnc2c1 144061097 VXCKVTSQVWVSCC-GOSISDBHSA-N 347.422 3.205 10 1 EGCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1O)O2 587391917 URTRIRHPODWBCF-KRWDZBQOSA-N 349.390 3.483 10 1 EGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40374415 OPSLFUQVYYSYDA-YXJHDRRASA-N 326.440 3.184 10 1 EGCF Cc1cn2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(C)nc2s1 40979701 HDKSLTJASNZBSB-NTUHNPAUSA-N 325.393 3.235 10 1 EGCF COC(=O)c1cc(N=Nc2sc(N)nc2C)cc(C(=O)OC)c1 299813195 CXJZFJNVSZSPIZ-UHFFFAOYSA-N 334.357 3.022 10 1 EGCF CCn1c(=O)c(C)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 653840653 AKEXXQMWWDULIU-UHFFFAOYSA-N 337.408 3.238 10 1 EGCF COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1 5940420 FGQDRDARUWHKTA-UHFFFAOYSA-N 340.383 3.278 10 1 EGCF CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12 5957572 AMFZHKPIXJORQY-UHFFFAOYSA-N 336.439 3.042 10 1 EGCF in-vitro C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1 27895735 SLPSVJIWZMVKLA-CJNGLKHVSA-N 327.424 3.272 10 1 EGCF O=C1C[C@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1 587531807 HNGVAGSCWRAMMD-QGZVFWFLSA-N 326.348 3.389 10 1 EGCF Cc1cc(N(CCO)CCO)ccc1/N=N\c1cc(F)ccc1F 18178629 GXZTYQUEABMZSU-MRCUWXFGSA-N 335.354 3.480 10 1 EGCF O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169293540 UFNAFOTWOKHFSY-XUJVJEKNSA-N 338.329 3.318 10 1 EGCF NS(=O)(=O)c1ccc(/N=N/C=C/[CH-]c2ccccc2[N+](=O)[O-])cc1 169700574 OODNEDLLGBHUTF-YREZNJBWSA-N 345.360 3.092 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)OC(=O)C=Cc1ccc(O)c(O)c1 2356482749 SLQHWTMMMMIIMN-ZDUSSCGKSA-N 328.364 3.381 10 1 EGCF CNCc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1 263621134 VOLHWJLFFDGPRY-UHFFFAOYSA-N 329.488 3.025 10 1 EGCF in-vitro Oc1ccccc1CN=c1[nH]cc2ncccc2c1-c1cccnc1 621430181 JCAHCNKDBJEQND-UHFFFAOYSA-N 328.375 3.431 10 1 EGCF O=C(Cc1ccc(Cl)cc1Cl)NCc1cc(O)c(O)cc1F 473249614 WVJRXDOWEGCLEP-UHFFFAOYSA-N 344.169 3.403 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2N 14688380 NFXKGLBUURRKEA-ITSWUFQBSA-N 345.439 3.224 10 1 EGCF endogenous,in-man COc1cc(O)c2c(C=O)c(-c3ccc(O)c(O)c3OC)oc2c1 15117903 VUKCFTVODWLXPK-UHFFFAOYSA-N 330.292 3.046 10 1 EGCF biogenic,in-vitro CCc1nc(N2CCN(c3ccc(OC(C)C)cc3C)C[C@@H]2C)no1 103252675 JETUWKUAWWKCSC-HNNXBMFYSA-N 344.459 3.443 10 1 EGCF CC[C@H]1CCCCN1CC(=O)N1N=C(C)C[C@H]1c1ccccc1O 84616129 BPCDFHZDDVMFIA-RDJZCZTQSA-N 329.444 3.306 10 1 EGCF Cc1cc(C)n2cc(/C=C/c3nc(-c4cscn4)cn3C)nc2n1 117874146 QNJUUFRANGRCSC-SNAWJCMRSA-N 336.424 3.374 10 1 EGCF CCc1ccc2c(c1)[C@@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2 28824733 FDIIFPSGYRSERJ-SFHVURJKSA-N 339.420 3.061 10 1 EGCF COc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1 7155179 LTQTZSNIAPXECG-WDZFZDKYSA-N 336.825 3.386 10 1 EGCF COc1cc2c3c(cc4cc(O)c(O)cc4c3c1O)[N+](C)(C)CC2 73170023 QCEHHTAHVZQVAJ-UHFFFAOYSA-O 326.372 3.241 10 1 EGCF Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CC(C)(C)C2 40393955 DPPHTZVOSLOGOI-UHFFFAOYSA-N 335.359 3.026 10 1 EGCF Oc1c(CN2CCN(c3ccc(F)cc3)CC2)ccc2cccnc12 84596695 OYUMPBPELXJTKX-UHFFFAOYSA-N 337.398 3.402 10 1 EGCF CCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29307745 NTTUVITZHCLAHC-ZDUSSCGKSA-N 326.348 3.097 10 1 EGCF C[C@@H](CCc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 15113342 JUZFAKSVZZEOIL-LZGFCCKTSA-N 344.363 3.087 10 1 EGCF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2N(C)C1 29487605 XVMWFBHUQPZHDJ-VDZJLULYSA-N 340.467 3.430 10 1 EGCF CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@@H](c1ccc(O)c(O)c1)CC3 13379896 PFAGNKVPEVROSU-AEFFLSMTSA-N 342.391 3.239 10 1 EGCF biogenic COc1ccc2c(c1)c([C@@H]1NCCc3nc4ccccn4c31)c(C)n2C 962988518 OULRGXJBTQGPGF-FQEVSTJZSA-N 346.434 3.378 10 1 EGCF COc1ccc2cc(/C=C3\SC(=S)NC3=O)c(Cl)nc2c1 1772648067 FGTOPILFJYNJFG-WZUFQYTHSA-N 336.825 3.386 10 1 EGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29484139 OPSLFUQVYYSYDA-HFTRVMKXSA-N 326.440 3.184 10 1 EGCF O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccccc1 13737751 XNUDZGSOZAWWNT-UHFFFAOYSA-N 349.342 3.025 10 1 EGCF Oc1ccc(C=C[C@H]2C[C@H](O)CCc3cc(O)c(O)cc32)cc1O 2356440081 MRNGQDIXPSBGLO-GXTWGEPZSA-N 328.364 3.003 10 1 EGCF CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@H](CC)C(=O)N1CC1CC1 100971747 UFAXABPZNIVOPU-CYBMUJFWSA-N 345.444 3.011 10 1 EGCF [N-]=[N+]=NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 169700708 ZNBNDHNWIUYYAW-CQSZACIVSA-N 333.355 3.192 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCn3c(cc4ccccc43)[C@H]1N2C 221952025 LOXHXWBLYXXODQ-IBGZPJMESA-N 333.391 3.254 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@H]1CC=CCC1)N2 13118279 DNJCOYQCPWJMLI-CTNYNGJSSA-N 330.453 3.144 10 1 EGCF CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCc2ccccc2)CCC1=O 36382885 AJLGXRQPXIMHGN-SFHVURJKSA-N 343.475 3.488 10 1 EGCF Cc1ccccc1[C@H]1CNCCc2c1cc(O)c(O)c2Br 89464597 ASXMASABHPVLSJ-CQSZACIVSA-N 348.240 3.446 10 1 EGCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)NCCc2ccc(O)cc21 963350860 DRQGZUPHSOQVOO-GOSISDBHSA-N 337.383 3.050 10 1 EGCF O=c1cc(CNCc2cccc(Cl)c2)oc2ccc(O)c(O)c12 43074183 OEBMCHWLROZTPG-UHFFFAOYSA-N 331.755 3.147 10 1 EGCF Oc1ccc2c(c1)[C@@H](c1ccc(OC(F)(F)F)cc1O)NCC2 963342062 QQKUUYGNWQAJIK-OAHLLOKOSA-N 325.286 3.232 10 1 EGCF Cc1ccc(C(=O)Nc2nnc(-c3ccc(O)c(O)c3)s2)cc1 1772642839 LQXUUZXBOKRIHW-UHFFFAOYSA-N 327.365 3.177 10 1 EGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1 103152114 SWELDZSHHQGRTA-RXVVDRJESA-N 331.371 3.339 10 1 EGCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(CN(C)C)c1)O2 587387343 PEIIOBCVCJBZTO-SFHVURJKSA-N 326.396 3.051 10 1 EGCF COc1c2c(cc3oc4c(O)c(O)ccc4c(=O)c13)O[C@H](C)C2(C)C 14768916 NMOCNJMHIXSVGS-MRVPVSSYSA-N 342.347 3.425 10 1 EGCF biogenic COC(=O)/C=C/c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 653861793 QQHQFJRXPYGNRS-RUDMXATFSA-N 328.324 3.099 10 1 EGCF O=C(NCc1cccc(F)c1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857559642 VGWKRWXKMPSOMF-UHFFFAOYSA-N 349.317 3.124 10 1 EGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29484142 OPSLFUQVYYSYDA-QGPMSJSTSA-N 326.440 3.184 10 1 EGCF O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc3c(c(O)c21)C=CCCO3 238754756 BTIIMTBXBCEZPA-HNNXBMFYSA-N 340.331 3.306 10 1 EGCF CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@@H]1C(=O)c1ccco1 5855418 UOOGYSAHQAMOKC-MRXNPFEDSA-N 348.358 3.346 10 1 EGCF C[C@@H]1Oc2cc(O)c3c(=O)c4cc(O)c(O)cc4oc3c2C1(C)C 13480669 WSGWOIHAZGXOFX-ZETCQYMHSA-N 328.320 3.122 10 1 EGCF biogenic CN1CCN([C@H]2Cc3ccccc3Sc3ccc(CN)cc32)CC1 64548844 JTFHPPAFIYXSHF-SFHVURJKSA-N 339.508 3.141 10 1 EGCF C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1 27895721 SLPSVJIWZMVKLA-CZUORRHYSA-N 327.424 3.272 10 1 EGCF CN1c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95556295 SXVBSSRRBCGXHS-SFHVURJKSA-N 348.362 3.223 10 1 EGCF COc1cc(C)c([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963609535 NNNOSFCDBKHAQH-FKIZINRSSA-N 343.423 3.350 10 1 EGCF COc1cccc2c1C(=O)c1c(oc3c1c(=O)oc1ccccc13)C2=O 1857630804 ANVXOWUHEHGKLJ-UHFFFAOYSA-N 346.294 3.323 10 1 EGCF O=C1OCc2c1cc1ccc3c(c1c2-c1ccc(O)c(O)c1)OCO3 45335494 ICHRBWSMWMEDRM-UHFFFAOYSA-N 336.299 3.317 10 1 EGCF COc1cccc(/N=N/c2c(N)nn3c(O)c4c(nc23)CCCC4)c1 101918351 BMAIUVFYUMWBIJ-QZQOTICOSA-N 338.371 3.320 10 1 EGCF CN(C(=O)Cc1ccc(N)cc1)[C@H](CN1CCCC1)c1ccccc1 26576053 FUYXSFOKFMPUTH-HXUWFJFHSA-N 337.467 3.107 10 1 EGCF CN1Cc2c(-c3cnc(N)nc3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772657477 XIMUBIIIERJMBZ-UHFFFAOYSA-N 346.369 3.358 10 1 EGCF CC(C)Cc1ccc([C@@H](C)C(=O)OCO/N=[N+](\[O-])N2CCCC2)cc1 13645613 JSRCNCYDUYCLNS-DSGGYQJVSA-N 349.431 3.394 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@H]1CC2 2356629679 NBTJLUQKBYDWKJ-RRBXVBTKSA-N 334.456 3.240 10 1 EGCF Cc1ccc(O)c2c1[C@@H](C)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962908144 UBGYIKXNDVQSOD-UYHHGJEOSA-N 341.382 3.189 10 1 EGCF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1C(=O)c1ccco1 5855429 SUZLJZVQFUEUQR-QGZVFWFLSA-N 348.358 3.346 10 1 EGCF COc1cc(OC)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 587785230 JNAAGDYSZYTITP-SNAWJCMRSA-N 342.351 3.170 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N 100784160 NFXKGLBUURRKEA-UDUZWTERSA-N 345.439 3.224 10 1 EGCF endogenous,in-man CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ncc[nH]1 299864274 REIKSWQMCGHUHP-UKTHLTGXSA-N 335.392 3.339 10 1 EGCF COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O 587786529 VDHHKYMMPAELMX-GORDUTHDSA-N 327.296 3.061 10 1 EGCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(C(=O)O)c(O)c1 6556366 LJGWRBBGCHLDRJ-VHEBQXMUSA-N 338.323 3.293 10 1 EGCF CCCNC(=O)C[C@@H]1CCN(Cc2ccc(OC)cc2O)C[C@@H]1CC 8300199 SWLCPRHHYQNELC-HOTGVXAUSA-N 348.487 3.165 10 1 EGCF biogenic C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2ccccc2F)CO1 1772579308 LNOGJUHPRMJBIN-PXAZEXFGSA-N 342.370 3.123 10 1 EGCF CCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12 73224031 ICLUHIGAXWCMQQ-UHFFFAOYSA-N 344.319 3.071 10 1 EGCF O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 15952442 UFNAFOTWOKHFSY-HUBLWGQQSA-N 338.329 3.318 10 1 EGCF COc1cc2c(cc1OC)C1=Cc3ccc(OC)c(O)c3CN1CC2 2356833167 IFACJIRNBRIBBE-UHFFFAOYSA-N 339.391 3.288 10 1 EGCF COc1cccc([C@@H]2CN(c3ccc(OC)c(OC)c3)CC[C@H]2N)c1 253655049 JIDSRABYUSVIKD-ZWKOTPCHSA-N 342.439 3.034 10 1 EGCF COc1ccc2c(c1)[C@]1(CCN2C)NCCc2cc(C)c(F)cc21 962298412 LUIDIWZMDHDGEU-HXUWFJFHSA-N 326.415 3.372 10 1 EGCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)CC)c1 18098601 METLTCJCYLJORR-QURGRASLSA-N 333.827 3.474 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@H]21 587275604 DXNSVODLSWQVGI-ZOWXZIJZSA-N 348.366 3.348 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N 33832040 NFXKGLBUURRKEA-IULIOSHDSA-N 345.439 3.224 10 1 EGCF biogenic,in-vitro COc1ccc2c3c(oc2c1)C(=O)c1c(OC)ccc(OC)c1C3=O 13652341 FNOAOZLBSXUZRM-UHFFFAOYSA-N 338.315 3.234 10 1 EGCF CC[C@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 13379070 YXEPHAVILJDRHK-SECBINFHSA-N 336.343 3.028 10 1 EGCF biogenic CN(C)CCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O 1856596 XJZGMWIAURUPFX-UHFFFAOYSA-N 330.387 3.114 10 1 EGCF CCc1cc(O)c2c(c1)C=C(O)[C@H]1C(=O)c3c(O)cccc3C(=O)[C@@H]21 2356805979 VLVMFRLFBOEDGO-MSOLQXFVSA-N 336.343 3.352 10 1 EGCF COc1nc2sc(C)cn2c1C=C1C(=O)N(C)c2ccccc21 1857598198 VXKAFFWETKBDPG-UHFFFAOYSA-N 325.393 3.230 10 1 EGCF COc1ccc(N2CC[C@@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC 28821828 DQJXBZGPJVSWFI-QZTJIDSGSA-N 326.440 3.333 10 1 EGCF CCCc1c(OCCc2cccc(O)c2O)ccc(C(=O)O)c1O 27089378 RLFUICCHOVBIMI-UHFFFAOYSA-N 332.352 3.076 10 1 EGCF CN(C)Cc1ccc2c(sc3nc4n(c(=O)c32)CCCCC4)c1O 25953064 RROULCJRFKQOLA-UHFFFAOYSA-N 343.452 3.105 10 1 EGCF CN(C)c1ccc2c3c(ccc2c1)OB(O)C(c1ccc(O)c(O)c1)=C3 1857543673 GGJJXUCKIQDTFU-UHFFFAOYSA-N 347.179 3.270 10 1 EGCF CCCCCC(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 85627200 GJJJOQOTMBDIPP-UHFFFAOYSA-N 335.444 3.161 10 1 EGCF biogenic,in-vitro CCOCc1cc(O)c(O)c(Br)c1Br 13450397 KEOOZBGAPIEERQ-UHFFFAOYSA-N 325.984 3.159 10 1 EGCF biogenic CC(C)OC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29545929 MZQKBTCJCIBXCJ-UHFFFAOYSA-N 346.471 3.149 10 1 EGCF COc1cc2c([nH]c3ccc(O)c(O)c32)c(Cc2ccc(O)cc2)n1 96086112 PILNLZBGFDTUIN-UHFFFAOYSA-N 336.347 3.432 10 1 EGCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCO 13652358 SAKGFQVDFZLOQC-UHFFFAOYSA-N 333.387 3.376 10 1 EGCF CN(CCO)c1ccc(C/N=N/c2c(F)c(F)nc(F)c2F)cc1 169690378 XNOGJZULXQSAIP-LSDHQDQOSA-N 342.296 3.350 10 1 EGCF COc1ccc(N2CC[C@H](N)[C@@H](c3ccc(C)cc3)C2)cc1OC 28821825 COFQOLZLTHNISM-MSOLQXFVSA-N 326.440 3.333 10 1 EGCF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O)c3[C@@H](C2)N1C 238781266 LRUYSFLNJRGVCZ-HUUCEWRRSA-N 341.407 3.244 10 1 EGCF O=C(O)c1cc(-c2ccnn2-c2cccc(Cl)c2)cc(O)c1O 49072790 CUYHFJIAGBFPCE-UHFFFAOYSA-N 330.727 3.302 10 1 EGCF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=N1 40914677 PSTZYUFORNONNS-OAHLLOKOSA-N 337.404 3.173 10 1 EGCF O=C1c2c(OCc3ccc(C(F)(F)F)cc3)cccc2C(=O)[C@@H]2O[C@H]12 169329583 IAZDPBQFVGPXEJ-DLBZAZTESA-N 348.276 3.431 10 1 EGCF C[C@@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)OC1(C)C 2356546205 CXVIOKUKRAYTPO-SSDOTTSWSA-N 328.320 3.338 10 1 EGCF N=c1[nH]cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1 587078196 KNMIUXNVWYFMQY-RBZYPMLTSA-N 338.802 3.197 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2 169295055 DNJCOYQCPWJMLI-SCFUHWHPSA-N 330.453 3.144 10 1 EGCF O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(Cl)c(Cl)c1 43024459 WHPAFCNOHAJCPK-UHFFFAOYSA-N 338.146 3.201 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 45506696 MWLHJCBZAWPKEY-CIUBHMFOSA-N 346.423 3.259 10 1 EGCF C[C@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 253636950 XTFJLUYMPYNUJZ-APPDUMDISA-N 326.356 3.295 10 1 EGCF O=C1C[C@@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587532808 OAVUURDQKDTRLN-INIZCTEOSA-N 326.348 3.389 10 1 EGCF COc1cccc2c1C(=O)c1oc3c(c1C2=O)c(=O)oc1ccccc13 1857748092 WQZSOAYWZXENMK-UHFFFAOYSA-N 346.294 3.323 10 1 EGCF COc1cccc([C@@H]2CN(c3ccc(OC)c(OC)c3)CC[C@@H]2N)c1 28821830 JIDSRABYUSVIKD-ROUUACIJSA-N 342.439 3.034 10 1 EGCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)NCCc2ccc(O)cc21 963350863 DRQGZUPHSOQVOO-SFHVURJKSA-N 337.383 3.050 10 1 EGCF CC(=O)O[C@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C 5858237 OPCSQRSUUMAUCI-HIFRSBDPSA-N 329.312 3.247 10 1 EGCF O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c(O)cc(O)c12 72124365 GKJFTAHRQKCPRS-UHFFFAOYSA-N 337.375 3.467 10 1 EGCF CN1C(=O)C[C@@H]2CN[C@@H](c3c(O)cccc3Cl)c3cccc1c32 963025638 MKRDBNKOQBIUGB-MLCYQJTMSA-N 328.799 3.188 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2sccc2N(C)[C@@H]31 474609299 PACCKFJVEDSGDQ-QGZVFWFLSA-N 339.420 3.385 10 1 EGCF Cc1ccc(O)c([C@H](CCN2CCN(c3ccccn3)CC2)N=O)c1 169719692 RLWXIUSPYJDYAT-KRWDZBQOSA-N 340.427 3.115 10 1 EGCF Oc1ccc2ccccc2c1[C@@H](c1ccccn1)N1CCC(O)CC1 72178644 OVKGEQKZRPZLFE-OAQYLSRUSA-N 334.419 3.487 10 1 EGCF Oc1ccc([C@]2(c3ccccc3O)NCCc3ccc(O)cc32)cc1 963343862 XTYGMNJSBVKXDP-OAQYLSRUSA-N 333.387 3.241 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356576197 QWVWSERSLAJTNG-FPWFTKFVSA-N 338.451 3.043 10 1 EGCF Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1 420682 YKUHIMLLSZRAJY-UHFFFAOYSA-N 333.432 3.331 10 3 EGCF O=C(O)Cn1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c2ccccc21 169690812 CRJWDNJQGIWKKH-VHEBQXMUSA-N 339.311 3.313 10 1 EGCF COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O 587418613 ABQRHDJCLRANLQ-BTDLBPIBSA-N 332.739 3.249 10 1 EGCF CCc1cc(O)c2c(c1)C=C(O)[C@@H]1C(=O)c3c(O)cccc3C(=O)[C@@H]21 2356805981 VLVMFRLFBOEDGO-ROUUACIJSA-N 336.343 3.352 10 1 EGCF S=C(NCc1cccnc1)SCCc1nnc(-c2ccco2)o1 653699189 DFTXCNFTYHWXPM-UHFFFAOYSA-N 346.437 3.075 10 1 EGCF COc1cc2c(cc1O)C[C@H]1CCN(C)c3cc(O)c(OC)c-2c31 2356457376 NOOBBKVZCWLNOB-SNVBAGLBSA-N 327.380 3.262 10 1 EGCF Cn1nc(-c2ccc(O)c(O)c2)cc1-c1coc2ccccc2c1=O 1857774302 PFRDAMJPZGRHNZ-UHFFFAOYSA-N 334.331 3.272 10 1 EGCF Cc1nc2ccc(CSC(=S)NCc3ccco3)cc2c(=O)[nH]1 28336606 JUPPSIKAOOEPPT-UHFFFAOYSA-N 345.449 3.132 10 1 EGCF CCc1ccc2c(c1)[C@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2 28824732 FDIIFPSGYRSERJ-GOSISDBHSA-N 339.420 3.061 10 1 EGCF COn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O 28459908 REHGHXIEMXLWQW-UHFFFAOYSA-N 328.327 3.023 10 1 EGCF CC1(C)C=Cc2c(cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O1 14780235 YVKKTHMMGGTCGP-UHFFFAOYSA-N 326.304 3.247 10 1 EGCF biogenic CCn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O 84757561 SRJSAPKMISGVFB-UHFFFAOYSA-N 342.354 3.223 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@H]1CC2 238741343 JTTFLJVTIPLSHC-ASNKJTAVSA-N 334.456 3.196 10 1 EGCF CN(CCO)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587192762 BXCAQDMZEHZOIO-UHFFFAOYSA-N 337.210 3.360 10 1 EGCF O=C1c2cccc(O)c2C2=N[C@H](CCCCCO)Oc3cccc1c32 96937630 MVVRRDFVSUBRSG-INIZCTEOSA-N 337.375 3.045 10 1 EGCF CCc1ccc2c(c1)C(=O)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 957811007 CKRKPMQPDVOTQP-LJQANCHMSA-N 326.348 3.152 10 1 EGCF Oc1ccc(C=C[C@@H]2C[C@H](O)CCc3cc(O)c(O)cc32)cc1O 2356440084 MRNGQDIXPSBGLO-TZMCWYRMSA-N 328.364 3.003 10 1 EGCF CN1C(=O)C[C@H]2CN[C@H](c3c(O)cccc3Cl)c3cccc1c32 963025656 MKRDBNKOQBIUGB-YPMLDQLKSA-N 328.799 3.188 10 1 EGCF CC1=NC(=O)N[C@H](c2ccc(N(C)C)cc2)[C@H]1C(=O)OC1CCCC1 169719510 MNZMLTIMKRWYRB-DLBZAZTESA-N 343.427 3.080 10 1 EGCF CC(=O)C(=O)[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)O 2356424220 QWLGLRAGSFVBDI-YTFOQLDISA-N 336.428 3.047 10 1 EGCF COc1ccc(/C=C2\SC(=S)N(Cc3ccncc3)C2=O)cc1 169327327 OPMIDOQIPYAPEM-GDNBJRDFSA-N 342.445 3.492 10 1 EGCF COc1cc(CCCOC(=O)/C=C/c2ccccc2)cc(O)c1O 238777369 WOBGSVRSEAQMSW-MDZDMXLPSA-N 328.364 3.296 10 1 EGCF CC1=NN(C(=O)CN2CCCCC2)[C@@H](c2cc(Cl)ccc2O)C1 299862586 JVICLEPGJIPPNP-OAHLLOKOSA-N 335.835 3.181 10 1 EGCF Cn1c(O)c(/N=N/C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 101571309 GAXICPNENSDXRJ-CVTQAYBASA-N 337.335 3.334 10 1 EGCF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(O)cc1O)CC2=O 587489078 MVBQKRUXJOVZBK-KRWDZBQOSA-N 330.336 3.168 10 1 EGCF CC(C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64393143 OPMWPKGBXFCEOL-UHFFFAOYSA-N 328.320 3.364 10 1 EGCF OCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1 36381139 MMHBCLFKVFGOOP-VMPITWQZSA-N 334.419 3.196 10 1 EGCF CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 40872308 AFMCJUGPIJIAOB-MYIWKSEUSA-N 345.439 3.098 10 1 EGCF CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 40872310 AFMCJUGPIJIAOB-HFZJXRFXSA-N 345.439 3.098 10 1 EGCF CC1(C)CCc2c(cc3oc4c(O)c(O)ccc4c(=O)c3c2O)O1 238741365 KUIMTOYMMVZRDV-UHFFFAOYSA-N 328.320 3.167 10 1 EGCF O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952440 UFNAFOTWOKHFSY-ZOWXZIJZSA-N 338.329 3.318 10 1 EGCF CC1=NN(C(=O)CN2C[C@@H](C)C[C@@H](C)C2)[C@@H](c2ccccc2O)C1 653729245 PHHUIJTZVSABJB-JKIFEVAISA-N 329.444 3.019 10 1 EGCF CCc1ccn2c3c(c(C(=O)OC)c2c1)C(=O)c1ccccc1C3=O 73220798 MKDGMDTVQFWSGD-UHFFFAOYSA-N 333.343 3.064 10 1 EGCF COc1ccc(N2CC[C@H](N)[C@H](c3ccc(C)cc3)C2)cc1OC 40587824 COFQOLZLTHNISM-ROUUACIJSA-N 326.440 3.333 10 1 EGCF Cc1cccc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12 618008634 OAGABTOOWNSMLX-UHFFFAOYSA-N 330.369 3.245 10 1 EGCF Cn1c(O)c(N=NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 253960960 GAXICPNENSDXRJ-HNNXBMFYSA-N 337.335 3.334 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@@H]21 587275598 DXNSVODLSWQVGI-JMSVASOKSA-N 348.366 3.348 10 1 EGCF CC(C)[C@@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586889945 ODXYBYYBDVVPOS-HXUWFJFHSA-N 334.375 3.202 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 3893906 DNJCOYQCPWJMLI-OWCBBSPXSA-N 330.453 3.144 10 1 EGCF O=C1C(=O)c2c(nc3ccc(Br)cn23)-c2ccccc21 139809924 UQXHMDDSVSOYHR-UHFFFAOYSA-N 327.137 3.143 10 1 EGCF CCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 231389969 MEZFHISVIISPBT-UHFFFAOYSA-N 344.319 3.071 10 1 EGCF O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1cc2c3c(cccc3n1)CC2 587210716 FEYSSBSOPJQCDI-GOSISDBHSA-N 344.326 3.404 10 1 EGCF O=C(Cn1ccc(C(F)(F)F)n1)/N=N\c1c(O)[nH]c2ccccc12 13123016 KMFZEZYHFOTPBO-VXPUYCOJSA-N 337.261 3.399 10 1 EGCF Cc1nc(N)sc1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O 6545656 CXQQIYUROQSAER-HNENSFHCSA-N 328.401 3.247 10 1 EGCF O=c1c2ccccc2c(=O)c2c1c(O)cc1[nH]c3ccccc3[nH]c12 101100279 LCEVOWBTRGTTAG-UHFFFAOYSA-N 328.327 3.382 10 1 EGCF in-vivo CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)CC3 13379894 PFAGNKVPEVROSU-WMZOPIPTSA-N 342.391 3.239 10 1 EGCF biogenic CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1 96934708 ZKWCQHZWGLYSKQ-WIYYLYMNSA-N 331.371 3.339 10 1 EGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)c(OC)c1)CC2=O 587481589 QOJCJDAWIFRYNY-MRXNPFEDSA-N 344.363 3.471 10 1 EGCF CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95553863 PLPWVVCBUWODOH-GOSISDBHSA-N 337.354 3.160 10 1 EGCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(Cl)cc1 13560432 HVOUDQYHUCMRDA-INIZCTEOSA-N 330.771 3.449 10 1 EGCF CN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66074309 MMZBXOUZUBNDST-OAHLLOKOSA-N 329.371 3.198 10 1 EGCF O=C1N=C(NCc2ccccc2)S/C1=C\c1c[nH]c2ncccc12 40411135 IDACMLAHOLNUAW-DHDCSXOGSA-N 334.404 3.323 10 1 EGCF COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CNCC2 28092886 XYNLJBRCCYTMSL-CYBMUJFWSA-N 328.387 3.224 10 1 EGCF [N-]=[N+]=N[C@@H]1CC[C@@H](N=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)O)ccc21 13488681 ANELOJBUGMHPPW-GHMZBOCLSA-N 328.288 3.410 10 1 EGCF C[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 169689884 XPYCEFPLOABURS-AWZIEEHFSA-N 340.386 3.149 10 1 EGCF O=C1c2ccccc2C(=O)c2c1cc(N1CCCCC1)c1nsnc21 219767552 JMEAFAVEBXDIIF-UHFFFAOYSA-N 349.415 3.457 10 1 EGCF COc1cc2c(cc1OC)[C@@](C)(c1cccc(N)c1O)N(C)[C@H](C)C2 962570804 NUTZSLABZUCKMC-MPBGBICISA-N 342.439 3.132 10 1 EGCF Cc1nc2c(C(=O)NCCC3=CCCCC3)cnn2c(O)c1Cl 4437678 FRGZLXDVWBJHRU-UHFFFAOYSA-N 334.807 3.017 10 1 EGCF O=C(OCc1cccs1)c1cc2c(o1)C(=O)c1ccccc1C2=O 95554161 NDINQOKZIDQTBN-UHFFFAOYSA-N 338.340 3.474 10 1 EGCF CCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49066838 CJAXPEVRJYPGMK-UHFFFAOYSA-N 331.733 3.441 10 1 EGCF O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 299813223 LNUJHRYWQNZNCN-CQSZACIVSA-N 341.298 3.463 10 1 EGCF O=C(COc1ccc2ccccc2c1)c1cc(O)c(O)c([N+](=O)[O-])c1 13585701 CIIOEKLXJRPCDG-UHFFFAOYSA-N 339.303 3.421 10 1 EGCF CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@@H]1C=CC=C(O)[C@H]1C3=O 2356460109 JWKDBPWZFDSZNS-RISCZKNCSA-N 336.343 3.437 10 1 EGCF C[C@H](CCc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 15113344 JUZFAKSVZZEOIL-UVMWJGKXSA-N 344.363 3.087 10 1 EGCF COc1cc(O)c([C@@H]2N[C@@H]3CC[C@@H]3c3ccc(OC)cc32)c(OC)c1 962995217 MOHIBIXPFJYZFF-AKCHCHLHSA-N 341.407 3.357 10 1 EGCF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(CN)cc32)CC1 64548843 JTFHPPAFIYXSHF-GOSISDBHSA-N 339.508 3.141 10 1 EGCF CCCc1c(OCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 27083104 APWNLLKWQUOJIB-UHFFFAOYSA-N 346.379 3.466 10 1 EGCF Cc1cccc([C@H]2CNCCc3c2cc(O)c(O)c3Br)c1 89464577 HGQXWXQQBNFBJT-CQSZACIVSA-N 348.240 3.446 10 1 EGCF COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2N(C)C1 169312472 XVMWFBHUQPZHDJ-WDYCEAGBSA-N 340.467 3.430 10 1 EGCF COc1cc(C/N=N/c2nn3cnnc3c3ccccc23)ccc1O 169686775 BEBCONBUKYTGAB-CZIZESTLSA-N 334.339 3.276 10 1 EGCF COc1cc(OC)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 587785228 JNAAGDYSZYTITP-PLNGDYQASA-N 342.351 3.170 10 1 EGCF COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1C 587784741 CQRGOZHRWSGIKN-PLNGDYQASA-N 326.352 3.470 10 1 EGCF CC(=O)N1N=C(c2c(O)cccc2O)C[C@@H]1c1ccc(Cl)cc1 35876004 HNZOTFPWWGTZJC-CQSZACIVSA-N 330.771 3.449 10 1 EGCF O=C1c2c(ccc(O)c2O)CN1Cc1c(F)ccc(F)c1Cl 43023710 URBAPQAOIGHZAE-UHFFFAOYSA-N 325.698 3.185 10 1 EGCF C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C 6201008 FRMSDUBHDPSWOE-QZHJKPJSSA-N 348.439 3.397 10 1 EGCF biogenic CCCCc1c(O)c(C)c(O)c2c1C(=O)c1c(O)cccc1C2=O 28704298 IVQKRDHUECCAJE-UHFFFAOYSA-N 326.348 3.230 10 1 EGCF biogenic CCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21 14973578 GOZSIGIHYMBLDA-UHFFFAOYSA-N 349.438 3.277 10 1 EGCF Cc1nnc(N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)n1N 617980878 PWIGGWXOPRKEJH-UHFFFAOYSA-N 347.382 3.424 10 1 EGCF CCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 473085458 WQYXPFJFLFWYHK-UHFFFAOYSA-N 334.327 3.145 10 1 EGCF CC(C)CCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O 206703740 GTVYHQZSCWBDMJ-UHFFFAOYSA-N 326.348 3.167 10 1 EGCF O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 101650459 LNUJHRYWQNZNCN-YYZBOFOMSA-N 341.298 3.463 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 27979054 SEVVMFQGAQZCPX-GUYCJALGSA-N 327.424 3.272 10 1 EGCF Clc1cc(/N=N/N2CCCC2)cc(Cl)c1NC1=NCCN1 100688216 WJMFHCMXFVRNLY-FMQUCBEESA-N 327.219 3.459 10 1 EGCF Nc1ccc(CN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 103254221 VSRFFDMTPYCHJR-UHFFFAOYSA-N 347.330 3.126 10 1 EGCF Cc1cc(N/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)n[nH]1 72175185 YVEMKKJWGGYNSQ-LGMDPLHJSA-N 343.390 3.465 10 1 EGCF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(O)c(O)c2)c1)C(=O)O 653686943 YJBTUZASSXCAEK-NSHDSACASA-N 342.178 3.026 10 1 EGCF Nc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1 1857584812 PXLJRBKDJVSTTQ-UHFFFAOYSA-N 347.466 3.288 10 1 EGCF COc1cc([C@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(O)c1O 2356417987 TVMFAGHLQARTAM-RBHXEPJQSA-N 330.336 3.252 10 1 EGCF Cc1cc(C)n2cc(/C=C/c3nc(-c4cccnc4)cn3C)nc2n1 117851912 QKWOMKVZSXQLED-VOTSOKGWSA-N 330.395 3.312 10 1 EGCF Cn1c2c(c3ccc(CCCC(=O)O)cc3c1=O)C(=O)c1ccccc1-2 95583255 BQKSNSVXYYPRHC-UHFFFAOYSA-N 347.370 3.157 10 1 EGCF Cc1cc2c(cc1F)[C@@H](c1ccc(N3CCN(C)CC3)cc1)NCC2 962381738 ZKZSFBJXZBLORI-OAQYLSRUSA-N 339.458 3.121 10 1 EGCF CN1C(=O)C[C@H]2CN[C@@H](c3c(O)cccc3Cl)c3cccc1c32 963025646 MKRDBNKOQBIUGB-XTZNXHDOSA-N 328.799 3.188 10 1 EGCF Nc1ccc(Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1 473150999 OAKZJHWEHHAVPE-UHFFFAOYSA-N 338.432 3.174 10 1 EGCF COc1ccc(C[C@@H]2c3c(ccc(OC)c3O)CC[N+]2(C)C)cc1O 13410017 LTSMJXDONNFDNO-OAHLLOKOSA-O 344.431 3.031 10 1 EGCF Cc1cc([N+](=O)[O-])ccc1/N=N/c1c(N)[nH]n(-c2ccccc2)c1=O 169319989 CROAHZBZORYJHI-VHEBQXMUSA-N 338.327 3.380 10 1 EGCF O=C(NCc1ccccc1O)Nc1nc(-c2ccncc2)cs1 165780804 AAJJTYFYVYZEFM-UHFFFAOYSA-N 326.381 3.232 10 1 EGCF Oc1ccc([C@@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1 26388883 JIIHUNLFECGWFB-NSHDSACASA-N 340.206 3.388 10 1 EGCF NC(=O)N=Nc1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12 617978360 AOZUSUHKVYJEGP-UHFFFAOYSA-N 337.339 3.148 10 1 EGCF COc1cccc2c1C(=O)c1sc(C(=O)c3cccnc3)cc1C2=O 299834718 SOIHKPHJVUVWSX-UHFFFAOYSA-N 349.367 3.158 10 1 EGCF COc1cc2c(cc1OC)[C@@H]1N(C)c3ccccc3[C@@]13CCN[C@H]3C2 206037896 RCKQLCUYRZWZDE-PCCBWWKXSA-N 336.435 3.051 10 3 EGCF COc1cc(OC)c(-c2oc3cc(O)c(O)cc3c2C=O)c(OC)c1 42878416 OUBWKVRCMQAWKH-UHFFFAOYSA-N 344.319 3.349 10 1 EGCF biogenic CCCOc1ccc(N2CCN(c3noc(CC)n3)CC2)c(C)c1 103252723 MHNDUMDXMGPBQB-UHFFFAOYSA-N 330.432 3.056 10 1 EGCF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(F)cc(Cl)c1O)NCC2 962926430 OMRCOADLZVWQQC-INIZCTEOSA-N 348.805 3.122 10 1 EGCF O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(Cl)cc2n1 13490179 DDVUQQZZOXKKDD-UHFFFAOYSA-N 345.738 3.294 10 1 EGCF CN1c2ccsc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 474609745 UJNXQCRYWBUUFA-INIZCTEOSA-N 325.393 3.082 10 1 EGCF Oc1ccc(/C=C/[C@@H]2C[C@@H](O)CCc3cc(O)c(O)cc32)cc1O 70455199 MRNGQDIXPSBGLO-QSNCJDHVSA-N 328.364 3.003 10 1 EGCF biogenic,in-vitro CC[C@@]1(c2cccc(F)c2O)NCCc2ccc(C(=O)N(C)C)cc21 962919653 CJAZLVGNXPJULC-FQEVSTJZSA-N 342.414 3.032 10 1 EGCF O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169296831 KIEAPLSWUVOPKW-SUNKGSAMSA-N 344.308 3.125 10 1 EGCF CN1CCCN(CCn2ccc3ccc(-c4cccnc4)cc32)CC1 22940022 RFMMLQOWCBUYON-UHFFFAOYSA-N 334.467 3.341 10 1 EGCF COc1ccc2c(=O)cc(/C=C/c3ccc(O)c(O)c3)oc2c1OC 45352774 KDDLEILPCASNFH-HWKANZROSA-N 340.331 3.392 10 1 EGCF Nc1ccc(CN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 103254210 CBMHVLRVZAIIRO-UHFFFAOYSA-N 347.330 3.126 10 1 EGCF CN(C)Cc1cc(/C=C/c2ccc(O)c(CN(C)C)c2)ccc1O 82152935 KLIBVIKPNLZYSQ-AATRIKPKSA-N 326.440 3.391 10 1 EGCF COc1cc(O)c([C@@H]2N[C@@H]3CC[C@H]3c3ccc(OC)cc32)c(OC)c1 962995222 MOHIBIXPFJYZFF-YYFZDKIDSA-N 341.407 3.357 10 1 EGCF Cc1cc2c(cc1Cl)S[C@H](c1ccccc1O)NS2(=O)=O 6522203 WTXOLHNCRJWRKM-CQSZACIVSA-N 341.841 3.437 10 1 EGCF O=c1cc(CNCc2ccc(Cl)cc2)oc2ccc(O)c(O)c12 43018076 JROPJZCFMVXIOG-UHFFFAOYSA-N 331.755 3.147 10 1 EGCF O=C(NCc1ccccc1O)c1cc(C(=O)c2ccccc2F)c[nH]1 53295894 YCLBKVIKAJIQDV-UHFFFAOYSA-N 338.338 3.020 10 1 EGCF CN(C)c1ccc([C@@H]2SCCN2C(=O)COc2ccccc2)cc1 40575836 GQWIWUVZKSPEKN-IBGZPJMESA-N 342.464 3.406 10 1 EGCF CN(C)Cc1cc(C(C)(C)C)cc(I)c1O 27844730 XCTGWUBSZMSEJY-UHFFFAOYSA-N 333.213 3.356 10 1 EGCF COc1cc2cc3c(c(-c4ccc(O)c(O)c4)c2cc1O)C(=O)OC3 238753323 NQBOMJLVTCBDBV-UHFFFAOYSA-N 338.315 3.303 10 1 EGCF Oc1ccc([C@@]2(c3ccccc3O)NCCc3ccc(O)cc32)cc1 963343861 XTYGMNJSBVKXDP-NRFANRHFSA-N 333.387 3.241 10 1 EGCF O=C1c2c(O)cccc2Cc2ccc(Cc3ccc(O)c(O)c3)c(O)c21 13736931 QLNVCPCSZYFVQY-UHFFFAOYSA-N 348.354 3.235 10 1 EGCF Cc1ccnc2c1CCN[C@H]2c1cc(C(F)(F)F)c(F)cc1O 963094450 YBQXJPDXKAHNIS-HNNXBMFYSA-N 326.293 3.489 10 1 EGCF O=c1[nH]n2c(O)c3c(nc2c1/N=N/c1ccccc1Cl)CCC3 299860414 JGUJDUJYYCQORV-VHEBQXMUSA-N 329.747 3.286 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccsc2N(C)[C@H]31 474602199 APANCILIETWZMT-INIZCTEOSA-N 339.420 3.385 10 1 EGCF S=C(NNc1ccccc1)Nc1ccc(-c2nnc(S)o2)cc1 72171005 QGOUAPQTBOPUAI-UHFFFAOYSA-N 343.437 3.339 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 14774231 GUNGXQJKXNQLMP-FYYVMTAXSA-N 348.439 3.289 10 1 EGCF biogenic Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1 121998 KJIWCEPEJPQENT-ZANVPECISA-N 345.298 3.153 10 1 EGCF CCC=CC[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 2356444586 AFMCJUGPIJIAOB-HZPDHXFCSA-N 345.439 3.098 10 1 EGCF COc1ccc2c(c1O)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2 13383918 BEIZGBSEZACCGQ-OAHLLOKOSA-N 341.407 3.074 10 1 EGCF biogenic COc1ccc(N2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587397235 YJDASYCHAGAUEO-FQEVSTJZSA-N 338.407 3.200 10 1 EGCF Cc1cccc2c3c(ccc12)-c1occ(CN(C)CCO)c1C(=O)C3=O 1772612766 FGROZLDFTFRECO-UHFFFAOYSA-N 349.386 3.211 10 1 EGCF COc1cc(/C=C/Cc2ccc(OC)c(O)c2O)ccc1OC(C)=O 28712325 TTXFPLYHXYOJGT-SNAWJCMRSA-N 344.363 3.296 10 1 EGCF CN(CCO)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587193081 RUFDNIZQNZYOLF-UHFFFAOYSA-N 337.210 3.360 10 1 EGCF Cc1cc([N+](=O)[O-])ccc1N=Nc1c(N)[nH]n(-c2ccccc2)c1=O 299847341 CROAHZBZORYJHI-UHFFFAOYSA-N 338.327 3.380 10 1 EGCF COc1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1 98085583 DJBLTJTVJPZRAE-RBUKOAKNSA-N 334.379 3.099 10 1 EGCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(F)cc(Cl)c1O)NCC2 962926431 OMRCOADLZVWQQC-MRXNPFEDSA-N 348.805 3.122 10 1 EGCF C[C@H]1Oc2cc3oc4ccc(O)c(O)c4c(=O)c3c(O)c2C1(C)C 2356410048 ZVMPNRZUHNMPKN-SSDOTTSWSA-N 328.320 3.122 10 1 EGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1 96934709 ZKWCQHZWGLYSKQ-RXVVDRJESA-N 331.371 3.339 10 1 EGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)c(O)c1)CC2=O 587488930 LAKCWYXCACUZCB-MRXNPFEDSA-N 330.336 3.168 10 1 EGCF CC(C)CN1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 95566970 WEFOOJBXYPBEAA-UHFFFAOYSA-N 325.460 3.229 10 3 EGCF C[C@@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C 13125731 UMGNGSNVYJDUQS-ZETCQYMHSA-N 328.320 3.122 10 3 EGCF biogenic COc1ccc(N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1O 27749139 FWGZCSPYOGSXCF-UHFFFAOYSA-N 333.384 3.063 10 1 EGCF O=C(O)c1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1 103939330 XNZSQEXBCNZTSN-ISLYRVAYSA-N 345.336 3.044 10 1 EGCF COc1cccc2c1C(=O)c1c(cc3cc([C@@H](C)O)ccc3c1O)C2=O 15204913 MRQBUXYQSVPJOZ-SNVBAGLBSA-N 348.354 3.383 10 1 EGCF biogenic CN(CCO)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587192795 DCBQORADSSIZRM-UHFFFAOYSA-N 346.228 3.421 10 1 EGCF COc1ccc(-c2nsc3c2C(=O)c2cccc(O)c2C3=O)cc1 1911571464 DCXJQUCTSCHOJW-UHFFFAOYSA-N 337.356 3.300 10 1 EGCF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccc(O)c(O)c4)o3)oc2c1 1857574679 ZKYLRUPJQDAEFK-UHFFFAOYSA-N 339.263 3.469 10 1 EGCF Cc1cnc(N2CCC[C@@H]2C)nc1NCc1ccc(N(C)C)cc1 82202749 VPUWEAWQJANRGZ-HNNXBMFYSA-N 325.460 3.452 10 1 EGCF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc(O)c(O)c12 45372920 UGDCYONWMSTCOX-UHFFFAOYSA-N 329.264 3.019 10 1 EGCF CC[C@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O 101330679 RZLNMBMFWWRXGJ-AWEZNQCLSA-N 327.429 3.126 10 1 EGCF Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccccc1C(F)(F)F 473154784 LSQJLDCEMVGXLT-JYRVWZFOSA-N 349.312 3.293 10 1 EGCF O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 59932870 UFNAFOTWOKHFSY-TYNCELHUSA-N 338.329 3.318 10 3 EGCF COc1cc2c(cc1O)[C@@H]1CCc3cc(OC)c(OC)cc3N1CC2 238738289 PYZSGSJHVLTFAH-HNNXBMFYSA-N 341.407 3.468 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N 100784162 NFXKGLBUURRKEA-NYYTWLDWSA-N 345.439 3.224 10 1 EGCF endogenous,in-man Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cccc(C(F)(F)F)c1 169325510 NDNLOGFEEIBEMS-ISLYRVAYSA-N 329.307 3.011 10 1 EGCF CN1c2ccsc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 474609746 UJNXQCRYWBUUFA-MRXNPFEDSA-N 325.393 3.082 10 1 EGCF COc1ccc(NCC(=O)N2N=C(C)C[C@H]2c2ccccc2O)cc1 653729262 RUDVJTKYGVAERK-KRWDZBQOSA-N 339.395 3.162 10 1 EGCF Oc1ccc(CCN[C@@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1 29344228 KFGZLTVENKLMDC-CYBMUJFWSA-N 333.815 3.146 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@H]21 587275562 DSQVVFYXEOHLNZ-JKDFXYPNSA-N 348.366 3.396 10 1 EGCF COc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccc(O)cc34)[C@@H]1N2C 95556898 DNEGUQDAKBJRTF-LJQANCHMSA-N 349.390 3.029 10 1 EGCF C[C@@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 40465556 XTFJLUYMPYNUJZ-VNJZOLLTSA-N 326.356 3.295 10 1 EGCF O=C1C[C@@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1 587531469 GNINKZLDFSAKKL-SFHVURJKSA-N 326.348 3.389 10 1 EGCF O=C(CCN1CCC[C@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] 13677679 BKDRVVQGOJOLEJ-OCCSQVGLSA-N 348.399 3.233 10 1 EGCF N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(O)c(O)c2)c1)C(=O)O 653686942 YJBTUZASSXCAEK-LLVKDONJSA-N 342.178 3.026 10 1 EGCF NC(=O)n1nc(-c2ccc(F)cc2)c(/N=N/c2cccnc2)c1O 169307467 UHNHJLIIMMJCLT-FMQUCBEESA-N 326.291 3.132 10 1 EGCF C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 27979063 SEVVMFQGAQZCPX-DYVFJYSZSA-N 327.424 3.272 10 1 EGCF CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 38208466 AFMCJUGPIJIAOB-JGPFYOFESA-N 345.439 3.098 10 1 EGCF COc1cc(/C=C2\SC(NCc3ccccc3)=NC2=O)ccc1O 95755324 AHXCBXSEWKEAOW-YBEGLDIGSA-N 340.404 3.161 10 3 EGCF Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1 121995 KJIWCEPEJPQENT-RNCFNFMXSA-N 345.298 3.153 10 1 EGCF CN(C)C(=O)Cn1ccc2ncc(-c3cncc(C(F)(F)F)c3)cc21 1857544130 XILJFHPHPOSVQM-UHFFFAOYSA-N 348.328 3.205 10 1 EGCF Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1O 299851472 GTGUDMVWQJVGNX-UHFFFAOYSA-N 326.304 3.254 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 95557215 YERIEFHURHTWDA-IBGZPJMESA-N 333.391 3.323 10 1 EGCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1 103152122 ZKWCQHZWGLYSKQ-GHTZIAJQSA-N 331.371 3.339 10 1 EGCF O=C(CC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 238740626 APDXFEASFJBTAO-UHFFFAOYSA-N 331.165 3.474 10 1 EGCF Cc1cc(C)n2cc(/C=C/c3nc(-c4cncs4)cn3C)nc2n1 117873229 FYEUHVMQYDAENI-SNAWJCMRSA-N 336.424 3.374 10 1 EGCF CN(CCO)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587193228 VIERRRLTEVYGJJ-UHFFFAOYSA-N 337.210 3.360 10 1 EGCF CN(C)c1ccc([C@H]2SCCN2C(=O)COc2ccccc2)cc1 40575834 GQWIWUVZKSPEKN-LJQANCHMSA-N 342.464 3.406 10 1 EGCF C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@]21C 6201009 FRMSDUBHDPSWOE-WWHJXGCHSA-N 348.439 3.397 10 1 EGCF biogenic CC[C@@H]1CCCCN1CC(=O)N1N=C(C)C[C@@H]1c1ccccc1O 195510330 BPCDFHZDDVMFIA-NVXWUHKLSA-N 329.444 3.306 10 1 EGCF COc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Cl 587192934 LERSOWUVLPHKDM-UHFFFAOYSA-N 331.803 3.320 10 1 EGCF CC(=O)N1N[C@H](c2ccc(O)cc2O)C[C@@H]1c1ccc(Cl)cc1 28333454 PHFSNTOOVDYWOA-JKSUJKDBSA-N 332.787 3.290 10 1 EGCF COc1ccc(N(C)C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 26719789 BGXQNEJEOAGRKU-FPOVZHCZSA-N 339.483 3.344 10 1 EGCF COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3 14725340 OECMNJJHZOYHIF-ZDUSSCGKSA-O 342.415 3.012 10 1 EGCF biogenic,in-vitro Oc1ccc(C=C[C@@H]2C[C@@H](O)CCc3cc(O)c(O)cc32)cc1O 2356440083 MRNGQDIXPSBGLO-OCCSQVGLSA-N 328.364 3.003 10 1 EGCF COc1cc2c(cc1O)[C@@H](C)Cc1cc3c(cc1N(C)CC2)OCO3 1563946 YZPDSEKIUDLBBQ-LBPRGKRZSA-N 341.407 3.468 10 1 EGCF CN1CCc2cc(O)c(O)cc2[C@@H](c2ccccc2Br)C1 1911584476 XOPSFRSCGXGEPQ-CQSZACIVSA-N 348.240 3.480 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(CO)CCCC(C)(C)[C@@H]1CC2 13302506 JTTFLJVTIPLSHC-RAJNIJHNSA-N 334.456 3.196 10 1 EGCF biogenic COc1cc2c(c(O)c1Cl)C(=O)c1c(OC)cc(C)cc1C2=O 13386750 JEZNLIICYHTXFL-UHFFFAOYSA-N 332.739 3.147 10 1 EGCF biogenic COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1F 587786389 SYQGZFYEGYPPJK-ARJAWSKDSA-N 330.315 3.301 10 1 EGCF Oc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O 38692004 AUKMFZCZQNIMED-QZTJIDSGSA-N 326.440 3.288 10 1 EGCF NC(=O)N1CCc2sccc2[C@@H]1c1ccc2cccnc2c1O 962717809 VMJVFALNBSAWHV-OAHLLOKOSA-N 325.393 3.028 10 1 EGCF Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1 1631754 PLEMHYBSIBNSNB-UHFFFAOYSA-N 334.358 3.495 10 1 EGCF COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1OC 587786825 YENFMSNPQBHYGY-SNAWJCMRSA-N 342.351 3.170 10 1 EGCF Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1 122001 KJIWCEPEJPQENT-NOZJJQNGSA-N 345.298 3.153 10 1 EGCF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(O)c1 963609561 NNNOSFCDBKHAQH-YUNKPMOVSA-N 343.423 3.350 10 1 EGCF Oc1cccc2c1CN(C(=S)NCCc1ccc(Cl)cc1)C2 29131658 RHZNSWYMJOWUEH-UHFFFAOYSA-N 332.856 3.478 10 1 EGCF COc1cccc2c1[C@]1(NC2=O)Oc2cc(C)cc3ccc(O)c1c23 2356790305 FKYBEOJBJVVMDD-FQEVSTJZSA-N 333.343 3.199 10 1 EGCF O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 59846725 KIEAPLSWUVOPKW-COPLHBTASA-N 344.308 3.125 10 3 EGCF CC(=O)C(=O)[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC(=O)O 2356424217 QWLGLRAGSFVBDI-JSVGYJQLSA-N 336.428 3.047 10 1 EGCF COc1ccc(NCc2cc(C)c3c(c2O)C(=O)O[C@H](C)C3)cc1 1857588060 LJWOBJUEEGFXAS-GFCCVEGCSA-N 327.380 3.423 10 1 EGCF Nc1nc(-c2cc(O)c(O)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 49112584 LXIDRNMWVDFPTL-UHFFFAOYSA-N 329.337 3.379 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2sccc2N(C)[C@H]31 474609298 PACCKFJVEDSGDQ-KRWDZBQOSA-N 339.420 3.385 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)C2=O 14688360 SWVDNEGGBBYXGS-HLIPFELVSA-N 344.407 3.407 10 1 EGCF biogenic,in-vitro CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N 85532074 NFXKGLBUURRKEA-FVINJOMDSA-N 345.439 3.224 10 1 EGCF biogenic,in-vitro COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[N+]1(C)CC2 13411118 SZCMAXJHSXYEIZ-BJQOMGFOSA-O 342.415 3.209 10 1 EGCF C[C-](CCC(C)C)/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 169693882 IRDOFACYNWDYHZ-FOCLMDBBSA-N 327.386 3.314 10 1 EGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COC(F)(F)F)[nH]c21 587125307 RNTQQGKWMJEBTR-UHFFFAOYSA-N 346.264 3.375 10 1 EGCF NC(=O)N1CCc2sccc2[C@H]1c1ccc2cccnc2c1O 962717807 VMJVFALNBSAWHV-HNNXBMFYSA-N 325.393 3.028 10 1 EGCF COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@H]3[N+](C)(C)CC2 14725308 BNLBUVFPTCUHTE-CYBMUJFWSA-O 342.415 3.012 10 1 EGCF CCc1cc(O)c2c(c1)C=C(O)[C@H]1C(=O)c3c(O)cccc3C(=O)[C@H]21 2356805980 VLVMFRLFBOEDGO-QZTJIDSGSA-N 336.343 3.352 10 1 EGCF CC(C)(C)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587258469 CZBMNHURASAZSV-GOSISDBHSA-N 333.391 3.384 10 1 EGCF CC(=O)C(=O)[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC(=O)O 238761820 QWLGLRAGSFVBDI-OYUDYFSCSA-N 336.428 3.047 10 1 EGCF Cc1sc2c(c1C)CCN[C@]2(C)c1ccc(O)c(CN(C)C)c1O 963014095 SVUJDNGBIIXQAQ-LJQANCHMSA-N 346.496 3.247 10 1 EGCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCCCC1)C(C)(C)C2 26171547 DSKCJCCSYAUFED-LJQANCHMSA-N 330.472 3.235 10 1 EGCF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O 587785595 NYWSTELHNNOXOS-NSCUHMNNSA-N 345.286 3.200 10 1 EGCF COc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 95557407 AVLFPUHBJIXSIY-IBGZPJMESA-N 333.391 3.323 10 1 EGCF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O 587451915 SBSPMKHTXVRCRW-XOBRGWDASA-N 340.375 3.245 10 1 EGCF C[C@@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1 49072341 SFOIMDJIVNQIRF-KWINOFQJSA-N 339.413 3.148 10 1 EGCF Oc1cc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl 27106039 CCYHQDLUGFLVEE-NSHDSACASA-N 340.206 3.388 10 1 EGCF COc1ccc(NCC(=O)N2N=C(C)C[C@@H]2c2ccccc2O)cc1 653729263 RUDVJTKYGVAERK-QGZVFWFLSA-N 339.395 3.162 10 1 EGCF CCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21 14973574 CLIRFEGEDUGTMQ-UHFFFAOYSA-N 335.411 3.267 10 1 EGCF O=C(Cn1ccc(C(F)(F)F)n1)N=Nc1c(O)[nH]c2ccccc12 253978833 KMFZEZYHFOTPBO-UHFFFAOYSA-N 337.261 3.399 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@@H]21 587275573 DSQVVFYXEOHLNZ-QFSBIZTOSA-N 348.366 3.396 10 1 EGCF Oc1ccc2ccccc2c1[C@@H](c1ccncc1)N1CCC(O)CC1 72178212 ANWMQIUHHCLJIN-OAQYLSRUSA-N 334.419 3.487 10 1 EGCF C[N+](C)=N[CH-]c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 169693796 MUASEFQKQYQKJF-UHFFFAOYSA-N 336.329 3.481 10 1 EGCF aggregator Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@H]21 587275569 DSQVVFYXEOHLNZ-PRXAMGSTSA-N 348.366 3.396 10 1 EGCF COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O 587786528 VDHHKYMMPAELMX-DJWKRKHSSA-N 327.296 3.061 10 1 EGCF CC[C@@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O 100974888 GMPNUHPEJBLTLS-CYBMUJFWSA-N 329.445 3.229 10 1 EGCF CNC1=NC(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S1 73141069 MPCYJIHJJZOVPW-DHDCSXOGSA-N 329.400 3.423 10 1 EGCF O=C(NC[C@@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1 28823006 HDPFMCMDLYCCFT-LIMHQNJXSA-N 339.391 3.177 10 1 EGCF Cc1cc2c(cc1Cl)S[C@@H](c1ccccc1O)NS2(=O)=O 6522211 WTXOLHNCRJWRKM-AWEZNQCLSA-N 341.841 3.437 10 1 EGCF O=C1c2cccc(O)c2C(=O)c2c1ccc(Cc1ccccc1)c2O 13454742 ZSGODHJXXNFJIM-UHFFFAOYSA-N 330.339 3.464 10 1 EGCF O=C(CCN1CCC[C@@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] 13677677 BKDRVVQGOJOLEJ-JSGCOSHPSA-N 348.399 3.233 10 1 EGCF COc1c2c(cc3oc4c(O)c(O)ccc4c(=O)c13)O[C@@H](C)C2(C)C 14768912 NMOCNJMHIXSVGS-QMMMGPOBSA-N 342.347 3.425 10 1 EGCF biogenic Cc1ccnc2c1CCN[C@@]2(C)c1c(O)cccc1Br 963066486 HQVFTHBFSFYZJG-INIZCTEOSA-N 333.229 3.267 10 1 EGCF COc1cc2cc(-c3ccc(O)c(O)c3)[n+](C)c(C)c2cc1OC 45315655 ZCRXXGUCVLZSKQ-UHFFFAOYSA-O 326.372 3.068 10 1 EGCF O=C(NC[C@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 28823009 HDPFMCMDLYCCFT-REMYHPOOSA-N 339.391 3.177 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2 13118281 DNJCOYQCPWJMLI-MJXUCMMTSA-N 330.453 3.144 10 1 EGCF Oc1cc(O)c2c(c1)CCN[C@@H]2Cc1ccc(Br)cc1 103173763 ZRGHJFPBRWVZQV-CQSZACIVSA-N 334.213 3.290 10 1 EGCF CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 2356444584 AFMCJUGPIJIAOB-CVEARBPZSA-N 345.439 3.098 10 1 EGCF CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccccc2O)NC(=O)N1 73314332 KUBAVBUXUJCRMO-QGZVFWFLSA-N 344.411 3.144 10 1 EGCF CCOCc1c(OC)cc2c(c1OC)C(=O)c1ccccc1C2=O 98083744 YEIXBQLNJAGNKS-UHFFFAOYSA-N 326.348 3.016 10 1 EGCF O=c1cc(-c2ccc(Br)cc2)oc2cc(O)c(O)c(O)c12 82156324 KCYWCHRAMNPITM-UHFFFAOYSA-N 349.136 3.339 10 1 EGCF CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2O)C1 653721475 JVWLIJVJPQFGBL-HNNXBMFYSA-N 325.324 3.264 10 1 EGCF O=S1(=O)N=C(/N=N\c2c(O)[nH]c3ccccc23)c2ccccc21 102600101 HZJOUUKKJISNMW-ZCXUNETKSA-N 326.337 3.106 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 238743550 GUNGXQJKXNQLMP-QRVQBPJGSA-N 348.439 3.289 10 1 EGCF COc1cc2c(cc1OC)[C@](C)(c1cccc(N)c1O)N(C)[C@H](C)C2 962570811 NUTZSLABZUCKMC-ODXCJYRJSA-N 342.439 3.132 10 1 EGCF CC[C@@]1(C)C(=O)c2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27979083 XDXSTWNRNGNHIG-AWEZNQCLSA-N 331.151 3.252 10 1 EGCF COc1ccc(N2CC[C@@H](N)[C@H](c3ccc(C)cc3)C2)cc1OC 143996073 COFQOLZLTHNISM-ZWKOTPCHSA-N 326.440 3.333 10 1 EGCF Cc1ccc(O)c2c1[C@@H](C)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962908131 UBGYIKXNDVQSOD-ORBZYBPHSA-N 341.382 3.189 10 1 EGCF CSc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948924 VJYBDPMMLLVXDB-UHFFFAOYSA-N 349.437 3.029 10 1 EGCF CCn1c(-c2ccc(OC)cc2)nc2c1C(=O)c1ccccc1C2=O 13215847 UGXWNEHJXLKPLD-UHFFFAOYSA-N 332.359 3.354 10 1 EGCF O=C1CC[C@H](c2ccc(O)c3c2C(=O)CCC3=O)c2cccc(O)c21 2356326129 UKSYTKLXXKYZMC-JTQLQIEISA-N 336.343 3.365 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2N 230104427 NFXKGLBUURRKEA-CCVOSLTKSA-N 345.439 3.224 10 1 EGCF endogenous,in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCC[C@@](C)([C@@H]1CC2)[C@H](O)OC3=O 1857550183 UJSRRPXGXDAPTC-YXHXOZEPSA-N 346.423 3.087 10 1 EGCF COc1ccc2nc(C)cc(OCC(=O)Nc3ccc(N)cc3)c2c1 653888080 WJHXPPPICFNYFB-UHFFFAOYSA-N 337.379 3.152 10 1 EGCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CC[C@@H](O)CC3)[nH]c21 586896006 GCFLDIDZWPNERI-TXEJJXNPSA-N 346.386 3.357 10 1 EGCF Cn1c(O)c(N=NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 253960964 GAXICPNENSDXRJ-OAHLLOKOSA-N 337.335 3.334 10 1 EGCF O=C(OCCCCCCCCO)OCCc1ccc(O)c(O)c1 1857639753 GSGCLDBGLKBQES-UHFFFAOYSA-N 326.389 3.126 10 1 EGCF Cc1ccc(C2=Nc3nnnn3[C@H](c3ccc(N(C)C)cc3)C2)cc1 13131289 VQLLRNIZCJEQBA-SFHVURJKSA-N 332.411 3.161 10 1 EGCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cccc(Cl)c1O 1857601204 FLUISABXMWQNMQ-UHFFFAOYSA-N 344.846 3.278 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)C[C@]1(O)CCCC(C)(C)[C@H]1CC2 2356629678 NBTJLUQKBYDWKJ-CBLJQSSYSA-N 334.456 3.240 10 1 EGCF COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CNCC2 28092892 XYNLJBRCCYTMSL-ZDUSSCGKSA-N 328.387 3.224 10 1 EGCF Clc1cc(N=NN2CCCC2)cc(Cl)c1NC1=NCCN1 253636871 WJMFHCMXFVRNLY-UHFFFAOYSA-N 327.219 3.459 10 1 EGCF COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1 13119871 NWPLWLUDJCOUAI-UHFFFAOYSA-N 349.434 3.123 10 3 EGCF COc1cc(C/N=N/c2ncnc3c2cnn3C(C)C)ccc1O 169685230 WSEOGZIWAJVWOS-XUTLUUPISA-N 326.360 3.405 10 1 EGCF C[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)OC1(C)C 85646247 CXVIOKUKRAYTPO-ZETCQYMHSA-N 328.320 3.338 10 1 EGCF biogenic,in-vitro COC(=O)c1cc(/N=N\c2sc(N)nc2C)cc(C(=O)OC)c1 6235761 CXJZFJNVSZSPIZ-ZCXUNETKSA-N 334.357 3.022 10 1 EGCF CN(C)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1 95584518 PXLODNLORBHSPY-UHFFFAOYSA-N 327.413 3.079 10 1 EGCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32NCCc3c(C)ccnc32)cc1 963065439 DPDFLYRPEHSKAW-NRJQMVOHSA-N 349.478 3.429 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O 100780317 UXVPWKDITRJELA-TVKQPGBESA-N 346.423 3.258 10 1 EGCF endogenous,in-man O=c1ccc2ccc(Oc3cc4cc(O)c(O)cc4oc3=O)cc2o1 15149399 IBZKIELXVOINHR-UHFFFAOYSA-N 338.271 3.103 10 1 EGCF biogenic COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1 28824748 IPZPSWBUSLBCBI-INIZCTEOSA-N 345.811 3.152 10 1 EGCF CCn1c2c(c3ccc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911576330 NFTPBCDRDZYEND-UHFFFAOYSA-N 331.375 3.300 10 1 EGCF Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1 122007 KJIWCEPEJPQENT-TVQRCGJNSA-N 345.298 3.153 10 1 EGCF COc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O 169723250 DLKYRZIONDUZAI-CZIZESTLSA-N 325.328 3.198 10 1 EGCF CC[C@]1(c2cccc(F)c2O)NCCc2ccc(C(=O)N(C)C)cc21 962919654 CJAZLVGNXPJULC-HXUWFJFHSA-N 342.414 3.032 10 1 EGCF O=C1C(=O)C(c2csc3ccccc23)C(=O)C(=O)C1c1ccccc1 169716549 IMXNTPHXISUPRU-UHFFFAOYSA-N 348.379 3.059 10 1 EGCF Cc1ccnc2c1CCN[C@]2(C)c1c(O)cccc1Br 963066491 HQVFTHBFSFYZJG-MRXNPFEDSA-N 333.229 3.267 10 1 EGCF O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 59846723 KIEAPLSWUVOPKW-UHIISALHSA-N 344.308 3.125 10 3 EGCF CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C 5857734 OPCSQRSUUMAUCI-DZGCQCFKSA-N 329.312 3.247 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1 27895716 SLPSVJIWZMVKLA-XJKSGUPXSA-N 327.424 3.272 10 1 EGCF C[C@H](CCc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356688717 JUZFAKSVZZEOIL-GFCCVEGCSA-N 344.363 3.087 10 1 EGCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2O)n1 142079759 CTYYSXAFOXUHEK-TZMCWYRMSA-N 342.399 3.337 10 1 EGCF [N-]=[N+]=N[C@H]1CC[C@H](N=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)O)ccc21 13488682 ANELOJBUGMHPPW-QWRGUYRKSA-N 328.288 3.410 10 1 EGCF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2N(C)C1 29487608 XVMWFBHUQPZHDJ-SZVBFZGTSA-N 340.467 3.430 10 1 EGCF CCN(CC)C(=O)c1ccccc1C(=O)C(=O)c1ccc(OC)cc1 26251133 FCDPWYBUWMHNMS-UHFFFAOYSA-N 339.391 3.243 10 1 EGCF C[C@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 40465561 XTFJLUYMPYNUJZ-PBAXFDQFSA-N 326.356 3.295 10 1 EGCF O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(O)c(O)c1 473247533 FGENBBAUPSSQBB-UHFFFAOYSA-N 332.787 3.189 10 1 EGCF O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@@H]12 169329582 IAZDPBQFVGPXEJ-IRXDYDNUSA-N 348.276 3.431 10 1 EGCF CC(=O)C(=O)[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC(=O)O 2356424219 QWLGLRAGSFVBDI-UDORUHSDSA-N 336.428 3.047 10 1 EGCF O=C(O)c1cc(O)c(O)cc1C(=O)c1cc(Cl)ccc1Cl 6525115 RFHUPZQTUAZDAR-UHFFFAOYSA-N 327.119 3.334 10 1 EGCF C[C@H](CCc1ccc(O)cc1)OC(=O)C=Cc1ccc(O)c(O)c1 2356482748 SLQHWTMMMMIIMN-CYBMUJFWSA-N 328.364 3.381 10 1 EGCF COc1cc2c(cc1O)[C@H]1CCc3cc(OC)c(OC)cc3N1CC2 238753054 PYZSGSJHVLTFAH-OAHLLOKOSA-N 341.407 3.468 10 1 EGCF COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2N(C)C1 29487611 XVMWFBHUQPZHDJ-KVSKMBFKSA-N 340.467 3.430 10 1 EGCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCCCC1)C(C)(C)C2 26171543 DSKCJCCSYAUFED-IBGZPJMESA-N 330.472 3.235 10 1 EGCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(CN(C)C)c1)O2 587387342 PEIIOBCVCJBZTO-GOSISDBHSA-N 326.396 3.051 10 1 EGCF O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 13121637 LNUJHRYWQNZNCN-JTKIUVGSSA-N 341.298 3.463 10 1 EGCF CC1=NN(C(=O)CN2C[C@H](C)C[C@@H](C)C2)[C@@H](c2ccccc2O)C1 653729243 PHHUIJTZVSABJB-CKEIUWERSA-N 329.444 3.019 10 1 EGCF Oc1nc(CSC(=S)NCc2cccnc2)nc2ccccc12 653691098 QNRGVYJVTIOZIE-UHFFFAOYSA-N 342.449 3.038 10 1 EGCF CN(CCO)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587192872 HQBJXIJWRKPAAZ-UHFFFAOYSA-N 346.228 3.421 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@@H]1CC=CCC1)N2 13118280 DNJCOYQCPWJMLI-PXMRGAAZSA-N 330.453 3.144 10 1 EGCF Cc1ccc(C2=Nc3nnnn3[C@@H](c3ccc(N(C)C)cc3)C2)cc1 13131291 VQLLRNIZCJEQBA-GOSISDBHSA-N 332.411 3.161 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@@H]21 587275565 DSQVVFYXEOHLNZ-PEBVRCNWSA-N 348.366 3.396 10 1 EGCF CCOC(=O)c1cccc(/N=N/c2ncc(/C=C/C(=O)OC)[nH]2)c1 5801089 PYTUTXSHGZPKPG-QMDIKIHDSA-N 328.328 3.188 10 1 EGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1 96934705 SWELDZSHHQGRTA-NQIIRXRSSA-N 331.371 3.339 10 1 EGCF COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)c(OC)c1 13560429 IAFZMTVQDVELPN-SFHVURJKSA-N 340.379 3.107 10 1 EGCF O=c1nc(CSC(=S)NCc2ccccc2)[nH]c2ccccc12 209468852 DHKYYEYMRQMHGN-UHFFFAOYSA-N 341.461 3.231 10 1 EGCF CCCN1C(=O)O/C(=C2/C(=O)N(c3ccccc3)N=C2C)C=C1C 29061000 MDZPZQITGURQNE-FOCLMDBBSA-N 325.368 3.429 10 1 EGCF O=C(CC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 238765176 JGNLUAWXOTYWAD-UHFFFAOYSA-N 331.165 3.474 10 1 EGCF C[C@@H](CCc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2356688718 JUZFAKSVZZEOIL-LBPRGKRZSA-N 344.363 3.087 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@@H]21 587277534 XSTNKQMDXABTJC-HSMVNMDESA-N 348.366 3.396 10 1 EGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@H]1C2 58475047 OPSLFUQVYYSYDA-ZVZYQTTQSA-N 326.440 3.184 10 1 EGCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@H](C)C2)c(C)c1 103252725 AABXKSSFGQCWAA-OAHLLOKOSA-N 344.459 3.444 10 1 EGCF COc1ccc2c(c1)N(C)[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O 95556344 QAXSEGNEDVZUMK-IBGZPJMESA-N 333.391 3.323 10 1 EGCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)cc1 100515714 UVWDSOCTVSQCTN-GHRIWEEISA-N 349.390 3.257 10 3 EGCF CCCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29250833 RDCOFTHAAXCTOG-AWEZNQCLSA-N 340.375 3.487 10 1 EGCF COc1ccc([C@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1 98085580 DJBLTJTVJPZRAE-MOPGFXCFSA-N 334.379 3.099 10 1 EGCF Cc1ccc(O)c([C@@H](CCN2CCN(c3ccccn3)CC2)N=O)c1 169719691 RLWXIUSPYJDYAT-QGZVFWFLSA-N 340.427 3.115 10 1 EGCF COC(=O)c1ccc(/N=N/N(C)COC(=O)c2ccccc2)cc1 27179228 MWPZMEKGOFZZDZ-VHEBQXMUSA-N 327.340 3.218 10 1 EGCF Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccccc1F 8042239 HKTBTWXWAWAHCJ-UHFFFAOYSA-N 329.400 3.385 10 1 EGCF O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3 238750832 YNXPTIDORKSKGE-INIZCTEOSA-N 340.331 3.306 10 1 EGCF COc1cc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc(CO)c1O 1857746405 UHYLMZBHWMQBPO-VHEBQXMUSA-N 348.355 3.334 10 1 EGCF Cc1ccccc1[C@@H]1CNCCc2c1cc(O)c(O)c2Br 89464594 ASXMASABHPVLSJ-AWEZNQCLSA-N 348.240 3.446 10 1 EGCF COc1ccc2c(c1)[C@@]1(CCN2C)NCCc2cc(C)c(F)cc21 962298411 LUIDIWZMDHDGEU-FQEVSTJZSA-N 326.415 3.372 10 1 EGCF CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21 101698745 TURQXJIGOFGXLZ-FMQUCBEESA-N 340.339 3.000 10 1 EGCF COc1ccc2c(c1)CC[C@@H]1c3c(O)cc(OC)c(C)c3C(=O)N21 28951005 LXSSLVAAEBMBHU-CQSZACIVSA-N 325.364 3.366 10 1 EGCF Nc1ccc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc1 40896529 QWMCRALNDACUEE-UHFFFAOYSA-N 339.376 3.066 10 1 EGCF CC(C)N(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 95587824 NNIJBYMILLHXNP-UHFFFAOYSA-N 333.391 3.179 10 1 EGCF C[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@]1(C)CC(=O)C(=O)C(C)(C)C 2356695846 YYEDWKZOZUEVSS-GIPWTMENSA-N 342.391 3.406 10 1 EGCF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2N(C)C1 58563856 XVMWFBHUQPZHDJ-IEZWGBDMSA-N 340.467 3.430 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cscc2N(C)[C@@H]31 474606872 HYXBBLJYVJDIAT-QGZVFWFLSA-N 339.420 3.385 10 1 EGCF CN(Cc1ccc(O)c(O)c1)C(=O)NCCc1ccc(Cl)cc1 1857540385 QYVUAKLJGCRNHG-UHFFFAOYSA-N 334.803 3.135 10 1 EGCF Cn1c(-c2ccc(N3CCNCC3)cc2)cc2c(Cl)ccnc21 1772632259 XULSDLWEOLKNON-UHFFFAOYSA-N 326.831 3.303 10 1 EGCF O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952420 KIEAPLSWUVOPKW-GYSYKLTISA-N 344.308 3.125 10 1 EGCF CC(=O)C(=O)[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC(=O)O 2356424218 QWLGLRAGSFVBDI-MTZMYHNQSA-N 336.428 3.047 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@H]21 587277536 XSTNKQMDXABTJC-OZVIIMIRSA-N 348.366 3.396 10 1 EGCF C[C@@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 39350686 MWLHJCBZAWPKEY-UEHSGRLWSA-N 346.423 3.259 10 1 EGCF Cn1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(F)c1O 587154594 BSFYGGNFEXJYJF-UHFFFAOYSA-N 339.330 3.183 10 1 EGCF [N-]=[N+]=N[C@H]1CC[C@@H](N=[N+]=[N-])c2ccc(C(=O)CC(=O)C(=O)O)cc21 13488683 ANELOJBUGMHPPW-MNOVXSKESA-N 328.288 3.410 10 1 EGCF COc1cccc2c1C(=O)c1c(cc3cc([C@H](C)O)ccc3c1O)C2=O 15204914 MRQBUXYQSVPJOZ-JTQLQIEISA-N 348.354 3.383 10 1 EGCF biogenic CCOCc1cc(Br)c(O)c(O)c1Br 38356134 VMBLTZAYZFEFDT-UHFFFAOYSA-N 325.984 3.159 10 1 EGCF biogenic CCCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2 29484136 OPSLFUQVYYSYDA-UWWQBHOKSA-N 326.440 3.184 10 1 EGCF CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3C=C[C@@H]12)C(=O)O[C@@H]4CO 653708746 NEGOZOQQFHWGTN-JGRMJRGVSA-N 344.407 3.412 10 1 EGCF CC(C)c1cc(/C=C2\SC(NC(=N)N)=NC2=O)cc(C(C)C)c1O 13796266 KVRGMJQYLQFFQG-QPEQYQDCSA-N 346.456 3.092 10 1 EGCF [N-]=[N+]=N[C@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O 73258603 AEPONWAIPDMTRB-LJQANCHMSA-N 332.363 3.454 10 1 EGCF COc1cc2c(cc1OC)[C@](C)(c1cccc(N)c1O)N(C)[C@@H](C)C2 962570814 NUTZSLABZUCKMC-YUNKPMOVSA-N 342.439 3.132 10 1 EGCF CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C 5857687 OPCSQRSUUMAUCI-UKRRQHHQSA-N 329.312 3.247 10 1 EGCF Cc1onc(C(=O)O)c1[C@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169727561 CODUMMNITACBIB-ZLFHMPSZSA-N 349.259 3.343 10 1 EGCF CCN1CCN(CCNc2c3ccccc3nc3ccccc23)CC1 45324835 KWBANYKIUDVRJQ-UHFFFAOYSA-N 334.467 3.437 10 1 EGCF CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@@H]1C=CC=C(O)[C@@H]1C3=O 238733308 JWKDBPWZFDSZNS-BXUZGUMPSA-N 336.343 3.437 10 1 EGCF COc1cc2c(c(OC)c1Cl)C(=O)c1c(O)cc(C)cc1C2=O 13386749 KDBWFLJNGRWWNC-UHFFFAOYSA-N 332.739 3.147 10 1 EGCF biogenic CCc1cc2c(O)nc(O)nc2nc1-c1c(C)c2ccccc2n1C 587559281 WJYGLGYVMIBIBK-UHFFFAOYSA-N 334.379 3.466 10 1 EGCF COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCC(=O)O)c2c1 31853518 NFWSKLAUALATLI-UHFFFAOYSA-N 341.323 3.191 10 1 EGCF Oc1nc(CSC(=S)NCc2ccco2)nc2ccccc12 653688562 VBUGKKBVVFWEOK-UHFFFAOYSA-N 331.422 3.236 10 1 EGCF Cc1ccc(O)c2c1[C@H](C)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962908124 UBGYIKXNDVQSOD-LQGCGHSZSA-N 341.382 3.189 10 1 EGCF CCn1c(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)nc2ccccc21 1772644965 POWHUVMYGDEPEO-JLHYYAGUSA-N 334.335 3.457 10 1 EGCF Cc1oc2c(c1C(=O)Nc1ccccc1)C(=O)c1ncccc1C2=O 1857632293 KBTRLWOGRDWBBC-UHFFFAOYSA-N 332.315 3.011 10 1 EGCF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(O)cc1O)CC2=O 587489080 MVBQKRUXJOVZBK-QGZVFWFLSA-N 330.336 3.168 10 1 EGCF O=C(O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 25697 AHIJTWCJGCWHMT-UHFFFAOYSA-N 333.343 3.078 10 1 EGCF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(O)c(O)c1)O2 587405662 XVOGFWKZGZTACR-IBGZPJMESA-N 327.380 3.345 10 1 EGCF COc1cc2c(cc1O)[C@H](C)Cc1cc3c(cc1N(C)CC2)OCO3 5389548 YZPDSEKIUDLBBQ-GFCCVEGCSA-N 341.407 3.468 10 1 EGCF Cc1cc(O)c2c(c1)C(=O)c1c(Cl)c(O)c(Cl)c(O)c1C2=O 13451760 ANEHFIKAXIZHIZ-UHFFFAOYSA-N 339.130 3.194 10 1 EGCF biogenic CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12 5850653 VDPPTSGZVLYGQR-UHFFFAOYSA-N 336.439 3.030 10 3 EGCF CCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64448703 KEPHBFIAQUQTIR-UHFFFAOYSA-N 328.320 3.366 10 1 EGCF O=C1c2c(ccc(O)c2O)CN1Cc1cc(Cl)c(F)cc1F 42919981 DYRMKKFFOISUPZ-UHFFFAOYSA-N 325.698 3.185 10 1 EGCF Cc1cc(C)c([C@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1 299847293 MPGMKMFNGKMGDH-VQFNDLOPSA-N 326.440 3.101 10 1 EGCF COc1cc([C@H]2Oc3c(O)ccc(C(C)=O)c3[C@@H]2C)cc(O)c1O 2356417986 TVMFAGHLQARTAM-QPFGOUBPSA-N 330.336 3.252 10 1 EGCF COc1cccc(N=Nc2c(N)nn3c(O)c4c(nc23)CCCC4)c1 253531722 BMAIUVFYUMWBIJ-UHFFFAOYSA-N 338.371 3.320 10 1 EGCF CC1=NC(=O)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C(=O)OC1CCCC1 169719508 MNZMLTIMKRWYRB-IAGOWNOFSA-N 343.427 3.080 10 1 EGCF CC[C@@H]1CCCCN1CC(=O)N1N=C(C)C[C@H]1c1ccccc1O 84616128 BPCDFHZDDVMFIA-WBVHZDCISA-N 329.444 3.306 10 1 EGCF Cc1ccc(O)c2c1[C@H](C)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962908138 UBGYIKXNDVQSOD-SZELWCTASA-N 341.382 3.189 10 1 EGCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2O)C1 71340986 HFSCUGRKIMEXGT-INIZCTEOSA-N 330.409 3.212 10 1 EGCF COc1cccc2cc3c(nc12)[C@H](c1ccc(O)c(C)c1O)NCC3 963057143 LQNGSSLXUQVPBU-IBGZPJMESA-N 336.391 3.198 10 1 EGCF C[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@]1(C)CC(=O)C(=O)C(C)(C)C 2356695847 YYEDWKZOZUEVSS-YBTHPKLGSA-N 342.391 3.406 10 1 EGCF CN(C)Cc1ccc(/C=C/c2ccc(CN(C)C)c(O)c2)cc1O 73197245 IVJSRMKBPTZQLD-AATRIKPKSA-N 326.440 3.391 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 169295054 DNJCOYQCPWJMLI-OYUZRVEBSA-N 330.453 3.144 10 1 EGCF COc1c(F)ccc(CNc2ncccc2-c2ncccn2)c1O 621430197 LMQANFDENNOUPB-UHFFFAOYSA-N 326.331 3.004 10 1 EGCF O=C(OCc1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 95555876 SHVIJXREDDHGOK-UHFFFAOYSA-N 332.311 3.412 10 1 EGCF O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 101650464 LNUJHRYWQNZNCN-PXKHIBQASA-N 341.298 3.463 10 1 EGCF Oc1ccc(CCN[C@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1 29344232 KFGZLTVENKLMDC-ZDUSSCGKSA-N 333.815 3.146 10 1 EGCF COc1cc(OC)c(OC)cc1CCCc1ccc(OC)c(O)c1O 66251643 JUBOCNOOUXAKKN-UHFFFAOYSA-N 348.395 3.308 10 1 EGCF CC1(c2cc(I)c(O)c(CN)c2)CCCC1 29220899 JKCYVESQMZLQKD-UHFFFAOYSA-N 331.197 3.287 10 1 EGCF COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(C(=O)O)cc31)cn2C 13538989 FCIIDEHWDIRWHN-PXNMLYILSA-N 348.358 3.378 10 1 EGCF CCN(CC)Cc1c(O)ccc2c(CCCCC(=O)O)cc(=O)oc12 26150773 IGBRKNBGTQBMJS-UHFFFAOYSA-N 347.411 3.138 10 1 EGCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(O)c(O)c1)O2 587405667 XVOGFWKZGZTACR-LJQANCHMSA-N 327.380 3.345 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O 100060769 LCAZOMIGFDQMNC-WVSUBDOOSA-N 346.423 3.258 10 1 EGCF in-man O=C1NC[C@@H](c2ccc(N3CCCC3)cc2)N1c1ccn2ccnc2c1 144061306 VXCKVTSQVWVSCC-SFHVURJKSA-N 347.422 3.205 10 1 EGCF COC(=O)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 5852897 YLBBHIUTKIEAIT-QHHAFSJGSA-N 337.331 3.309 10 1 EGCF C[C@@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21 100761410 XTFJLUYMPYNUJZ-OGBZKOSNSA-N 326.356 3.295 10 1 EGCF Oc1ccc([C@@]2(Cc3ccccc3)NCCc3ccc(O)cc32)c(O)c1 963339685 AMSABKYWGANUGE-JOCHJYFZSA-N 347.414 3.435 10 1 EGCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)C2 13601141 SHPGALYGTBWDRH-UHFFFAOYSA-N 348.855 3.184 10 1 EGCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Cl)cc1Cl 169325516 QXURMSDLFLMXBT-FOCLMDBBSA-N 330.200 3.299 10 1 EGCF COc1ccc(N2CC[C@@H](N)[C@H](c3cccc(C)c3)C2)cc1OC 143170263 DQJXBZGPJVSWFI-ZWKOTPCHSA-N 326.440 3.333 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O 13383635 UXVPWKDITRJELA-VIPLHTEESA-N 346.423 3.258 10 1 EGCF in-man CCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 205861192 VOOCDNWLHBWIJZ-UHFFFAOYSA-N 337.408 3.320 10 1 EGCF in-vitro Cc1ccc2[nH]c(O)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2c1 618008490 AEQVIUQQIMQNRU-UHFFFAOYSA-N 330.369 3.245 10 1 EGCF O=C(CCN1CCC[C@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] 253632390 BKDRVVQGOJOLEJ-TZMCWYRMSA-N 348.399 3.233 10 1 EGCF CC(C)CC=CC=CC(=O)Nc1cc(CCC(=O)O)cc(O)c1O 2356806283 VQSAISPZONMXCY-UHFFFAOYSA-N 333.384 3.212 10 1 EGCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2O)C1 71340987 HFSCUGRKIMEXGT-MRXNPFEDSA-N 330.409 3.212 10 1 EGCF Cn1c(O)c(/N=N\C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 13564141 GAXICPNENSDXRJ-DNTCVELPSA-N 337.335 3.334 10 1 EGCF O=S1(=O)N=C(/N=N/c2c(O)[nH]c3ccccc23)c2ccccc21 18181873 HZJOUUKKJISNMW-ISLYRVAYSA-N 326.337 3.106 10 1 EGCF CC(=O)C[C@@H](C)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O 2356855414 RCZRUKYNTZBHDI-SNVBAGLBSA-N 330.336 3.010 10 1 EGCF CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2O)C1 653721476 JVWLIJVJPQFGBL-OAHLLOKOSA-N 325.324 3.264 10 1 EGCF Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc3ccccc3[nH]2)C1=O 1857768855 WAJHWEZGRHLEKK-UHFFFAOYSA-N 345.358 3.143 10 1 EGCF O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3 2356560631 YNXPTIDORKSKGE-MRXNPFEDSA-N 340.331 3.306 10 1 EGCF Cc1ccnc2c1CCN[C@@H]2c1cc(C(F)(F)F)c(F)cc1O 963094454 YBQXJPDXKAHNIS-OAHLLOKOSA-N 326.293 3.489 10 1 EGCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2 13302511 JTTFLJVTIPLSHC-UFAGZECESA-N 334.456 3.196 10 1 EGCF biogenic CN(CCO)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587192987 NZVYCIWANBZCOC-UHFFFAOYSA-N 336.317 3.072 10 1 EGCF COC(=O)c1ccc(/N=N/N(C)COc2ccc([N+](=O)[O-])cc2)cc1 17888150 WEZZLRGFYXSRCN-ISLYRVAYSA-N 344.327 3.348 10 1 EGCF O=C(O)c1ccc(O)c(O)c1Cc1c(F)c(F)c(F)c(F)c1F 263620841 OKFLUGFRGVSRHK-UHFFFAOYSA-N 334.196 3.082 10 1 EGCF in-vitro CC[C@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O 101348947 KCHMXUWJBJGRSL-ZDUSSCGKSA-N 329.445 3.392 10 1 EGCF CC(=O)N1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(Cl)cc1 13560431 HVOUDQYHUCMRDA-MRXNPFEDSA-N 330.771 3.449 10 1 EGCF CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(N(C)C)ccc1O 28396884 VTZZFHYCFVDZRI-UHFFFAOYSA-N 329.400 3.041 10 1 EGCF O=C(O)c1cc(-c2ccc(O)c(O)c2)nc2n[nH]c(-c3ccccc3)c12 20134782 WZTYAOOSELRBHO-UHFFFAOYSA-N 347.330 3.401 10 1 EGCF C=C(c1ccc(N(C)C)c(N)c1)c1cc(OC)c(OC)c(OC)c1 474609674 SIVCWAWKBIIEFB-UHFFFAOYSA-N 328.412 3.422 10 1 EGCF CN(CCO)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587192899 JDDWUEACCYVZIZ-UHFFFAOYSA-N 336.317 3.072 10 1 EGCF CCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(OC)cccc1C3=O 200006605 DXJLXUTUMCHWBT-UHFFFAOYSA-N 348.354 3.448 10 1 EGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2 29484145 OPSLFUQVYYSYDA-KYJSFNMBSA-N 326.440 3.184 10 1 EGCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccccc1C(F)(F)F 169325775 QHJICCNZXUBFMC-ISLYRVAYSA-N 329.307 3.011 10 1 EGCF C[N+](C)(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 95585009 MVISRQUVDQNYMX-UHFFFAOYSA-N 347.438 3.309 10 1 EGCF CCN(CC)c1ccc(C(NC(=O)C(C)C)NC(=O)C(C)C)cc1 95576946 XSQCJDUSTSBDCT-UHFFFAOYSA-N 333.476 3.076 10 1 EGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(O)n3)[nH]c21 587016997 HBVPADCCYSCSTO-UHFFFAOYSA-N 347.355 3.167 10 1 EGCF COc1cccc2cc3c(nc12)[C@](C)(c1cc(F)ccc1O)NCC3 963056917 NMRKPEWWNRYSQI-FQEVSTJZSA-N 338.382 3.497 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cscc2N(C)[C@H]31 474606866 HYXBBLJYVJDIAT-KRWDZBQOSA-N 339.420 3.385 10 1 EGCF Oc1ccccc1CN[C@H]1CCCC[C@H]1NCc1ccccc1O 45168573 AUKMFZCZQNIMED-HDICACEKSA-N 326.440 3.288 10 1 EGCF O=C1c2ccccc2C(=O)c2c1cc(O)c(Cc1ccccc1)c2O 13376419 FQURQNLGRCILOM-UHFFFAOYSA-N 330.339 3.464 10 1 EGCF biogenic,in-vitro CC(C)CN1CCC(=O)N([C@H](CN=[N+]=[N-])Cc2ccccc2)CC1 12474229 RKSQLZOINYXIFC-KRWDZBQOSA-N 329.448 3.098 10 3 EGCF CN(C)CCNC(=O)c1cccc2nc3ccc4ccccc4c3nc12 5808508 ARKCBNOVQCRMQS-UHFFFAOYSA-N 344.418 3.228 10 1 EGCF O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952439 UFNAFOTWOKHFSY-YWPYICTPSA-N 338.329 3.318 10 3 EGCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)c(O)c1 587870844 TYXCDKVSJQQLAP-UHFFFAOYSA-N 342.326 3.188 10 1 EGCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCCO 1857586673 AIWNRRRDUXCGEE-JLHYYAGUSA-N 342.457 3.206 10 1 EGCF COc1cc(O)c([C@@H]2N[C@H]3CC[C@H]3c3ccc(OC)cc32)c(OC)c1 962995219 MOHIBIXPFJYZFF-DKICVRJWSA-N 341.407 3.357 10 1 EGCF Cc1ccc(C(=O)Nc2nnc(-c3cccc(O)c3O)s2)cc1 1772607541 SONCHNLUHXQDDF-UHFFFAOYSA-N 327.365 3.177 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@@H]21 587277537 XSTNKQMDXABTJC-WQGACYEGSA-N 348.366 3.396 10 1 EGCF COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1F 587786392 SYQGZFYEGYPPJK-ONEGZZNKSA-N 330.315 3.301 10 1 EGCF CN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1 13447139 DHKYCFXOSLNAFZ-CQSZACIVSA-N 348.240 3.480 10 1 EGCF CCN[C@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 169330222 SCBHHBJGVDRHPC-CQSZACIVSA-N 347.411 3.017 10 1 EGCF CCN[C@@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 169330221 SCBHHBJGVDRHPC-AWEZNQCLSA-N 347.411 3.017 10 1 EGCF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1C(=O)c1ccco1 5838582 SUZLJZVQFUEUQR-KRWDZBQOSA-N 348.358 3.346 10 1 EGCF Nc1ccc(Oc2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)cc1 586913196 JRLXIJRHZICUSB-GOSISDBHSA-N 339.395 3.397 10 1 EGCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccsc1 96922571 UZGRIDCYKSZMQN-ZROIWOOFSA-N 326.377 3.097 10 1 EGCF CC(C)Oc1ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1 587193244 VYYZLQKTHKABCY-UHFFFAOYSA-N 325.412 3.446 10 1 EGCF CCC=CC[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 2356444587 AFMCJUGPIJIAOB-JKSUJKDBSA-N 345.439 3.098 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@@H](C(=O)OC)[C@H]2Cc1c3n(C)c2ccccc12 2356713318 FJSJTRHCWCJIQX-DQEVTTJGSA-N 336.435 3.215 10 1 EGCF S=C(NCc1cccnc1)SCCc1nc2ccccc2[nH]1 653703946 LRPDOXHRAGZLTC-UHFFFAOYSA-N 328.466 3.308 10 1 EGCF CCN(C)C(=O)Oc1cccc(CCNCc2ccccc2O)c1 1857547018 MYSZKBUYXQLESR-UHFFFAOYSA-N 328.412 3.175 10 1 EGCF Oc1cc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl 27106040 CCYHQDLUGFLVEE-LLVKDONJSA-N 340.206 3.388 10 1 EGCF O=c1n(Cc2ccccc2O)c2ccccc2n1Cc1ccccc1O 621430478 WLZRUZPYYOPMDF-UHFFFAOYSA-N 346.386 3.311 10 1 EGCF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O 587785587 NYWSTELHNNOXOS-IHWYPQMZSA-N 345.286 3.200 10 1 EGCF COc1cc2c3c(cccc3c1)C(=O)N(Cc1ccc(N)cc1)C2=O 103254235 KLGOEVCOXFRKLC-UHFFFAOYSA-N 332.359 3.227 10 1 EGCF CC(C)(C)OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 13735410 JOARRVKABNAADS-UHFFFAOYSA-N 331.368 3.371 10 1 EGCF CC(C)=CCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 14763101 XRUKGBABAGTMIR-UHFFFAOYSA-N 328.320 3.277 10 1 EGCF biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccsc2N(C)[C@@H]31 474602209 APANCILIETWZMT-MRXNPFEDSA-N 339.420 3.385 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2N 238759363 NFXKGLBUURRKEA-RFHZUNJHSA-N 345.439 3.224 10 1 EGCF Cc1ccc2c(c1NC(=O)c1cccnc1)C(=O)c1ccccc1C2=O 3844315 XUEBGNGYXLFRDZ-UHFFFAOYSA-N 342.354 3.418 10 1 EGCF biogenic COc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 95557406 AVLFPUHBJIXSIY-LJQANCHMSA-N 333.391 3.323 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N 104383466 NFXKGLBUURRKEA-AEVYOOLXSA-N 345.439 3.224 10 1 EGCF in-man COc1cccc2c1[C@@]1(NC2=O)Oc2cc(C)cc3ccc(O)c1c23 2356790306 FKYBEOJBJVVMDD-HXUWFJFHSA-N 333.343 3.199 10 1 EGCF COc1ccc2c(c1)c([C@H]1NCCc3nc4ccccn4c31)c(C)n2C 962988524 OULRGXJBTQGPGF-HXUWFJFHSA-N 346.434 3.378 10 1 EGCF CC(C)Cc1ccc([C@H](C)C(=O)OCO/N=[N+](\[O-])N2CCCC2)cc1 13645618 JSRCNCYDUYCLNS-AYAKEVCGSA-N 349.431 3.394 10 1 EGCF O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 169296832 KIEAPLSWUVOPKW-MJVIPROJSA-N 344.308 3.125 10 1 EGCF O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952421 KIEAPLSWUVOPKW-MISXGVKJSA-N 344.308 3.125 10 3 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@@H]21 587275600 DXNSVODLSWQVGI-XUJVJEKNSA-N 348.366 3.348 10 1 EGCF CN1c2cscc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 474608533 MMDQIRSSFORXMT-INIZCTEOSA-N 325.393 3.082 10 1 EGCF COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 29341419 ZGTYWXSBRIBLNH-UHFFFAOYSA-N 326.179 3.397 10 1 EGCF Oc1cc2c(cc1O)[C@H]1c3cc(C(F)(F)F)ccc3CN[C@@H]1CO2 73221140 FEQLWURMQPIKEK-MLGOLLRUSA-N 337.297 3.113 10 1 EGCF Oc1ccc2ccccc2c1[C@H](c1ccccn1)N1CCC(O)CC1 72178645 OVKGEQKZRPZLFE-NRFANRHFSA-N 334.419 3.487 10 1 EGCF O=S1(=O)N=C(N=Nc2c(O)[nH]c3ccccc23)c2ccccc21 253979227 HZJOUUKKJISNMW-UHFFFAOYSA-N 326.337 3.106 10 1 EGCF CC1=NN(C(=O)CN2CCCCC2)[C@H](c2cc(Cl)ccc2O)C1 299862585 JVICLEPGJIPPNP-HNNXBMFYSA-N 335.835 3.181 10 1 EGCF Cn1c(O)c(/N=N/C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 101571313 GAXICPNENSDXRJ-FZFLATATSA-N 337.335 3.334 10 1 EGCF O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2ccccc2Cl)n1 13490159 AKEUQXZWWMZEMM-MRXNPFEDSA-N 345.738 3.079 10 1 EGCF O=C(NCc1ccc(F)cc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857588453 PRVYWTQPEZMKQO-UHFFFAOYSA-N 349.317 3.124 10 1 EGCF CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@H]1C=CC=C(O)[C@@H]1C3=O 2356460110 JWKDBPWZFDSZNS-SMDDNHRTSA-N 336.343 3.437 10 1 EGCF COc1ccc(S(=O)(=O)/N=N\c2c(O)[nH]c3ccccc23)cc1 17778832 FFADRNSNSAWWMA-ZCXUNETKSA-N 331.353 3.355 10 1 EGCF Cc1ccc([C@@H](C)Oc2cc(-c3ccn(C)c(=O)c3)cnc2N)cc1 1857579679 MGGOWLLXUKUFKF-CQSZACIVSA-N 335.407 3.478 10 1 EGCF COC(=O)c1cc(CCc2cc(N(C)C)ccc2OC)ccc1O 40974774 BAESDDQRWSATRP-UHFFFAOYSA-N 329.396 3.039 10 1 EGCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2OC)cc1 28950828 UOXAGFFUNGHFNM-SFHVURJKSA-N 329.352 3.023 10 1 EGCF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(O)c(O)c1 73222092 MMHQCENUMPAZLG-UHFFFAOYSA-N 345.358 3.392 10 1 EGCF Oc1cc2c(c(Br)c1O)CCNC[C@@H]2c1ccccc1 3792506 XKTGLDSNABUNGD-CYBMUJFWSA-N 334.213 3.138 10 1 EGCF Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1 26380405 MQFYXEQJKHBYSZ-ZDUSSCGKSA-N 339.313 3.100 10 1 EGCF CC(C)[C@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586889942 ODXYBYYBDVVPOS-FQEVSTJZSA-N 334.375 3.202 10 1 EGCF Oc1ccc(C=C[C@H]2C[C@@H](O)CCc3cc(O)c(O)cc32)cc1O 2356440082 MRNGQDIXPSBGLO-JSGCOSHPSA-N 328.364 3.003 10 1 EGCF [N-]=[N+]=N[C@H]1CC[C@@H](N=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)O)ccc21 13488680 ANELOJBUGMHPPW-WDEREUQCSA-N 328.288 3.410 10 1 EGCF CCN(CC)Cc1ccc(/C=C/c2cnc(C)c(O)c2CO)cc1O 1857570020 DHLQIQADZWXEQL-SOFGYWHQSA-N 342.439 3.306 10 1 EGCF O=C(Cn1ccc(C(F)(F)F)n1)/N=N/c1c(O)[nH]c2ccccc12 101955450 KMFZEZYHFOTPBO-FMQUCBEESA-N 337.261 3.399 10 1 EGCF Cc1cnc(N2CCSCC2)nc1NCc1ccc(N(C)C)cc1 82202834 PVONIFFNWWZGLT-UHFFFAOYSA-N 343.500 3.016 10 1 EGCF O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952419 KIEAPLSWUVOPKW-JTNHKYCSSA-N 344.308 3.125 10 3 EGCF CCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 29248057 KNOFOVFLDJIZRJ-UHFFFAOYSA-N 336.439 3.111 10 1 EGCF CC(/C=C/C=C/c1ccccc1)=C1/SC(=S)N(CC(=O)O)C1=O 27078425 SWMHAORQFMWWCJ-KSKLJSBSSA-N 345.445 3.475 10 1 EGCF COc1cc2c(cc1O)C[C@@H]1CCN(C)c3cc(O)c(OC)c-2c31 238749666 NOOBBKVZCWLNOB-JTQLQIEISA-N 327.380 3.262 10 1 EGCF COc1cccc(C/N=N/c2nn3cnnc3c3ccccc23)c1O 169686774 IICBBGPOMZCBMJ-CZIZESTLSA-N 334.339 3.276 10 1 EGCF O=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccccc3)ccnc21 1857635008 JCKCJIVSUGXIFN-UHFFFAOYSA-N 336.328 3.494 10 1 EGCF CC[C@@]1(c2ccc(C)cc2O)N[C@H](C(=O)O)Cc2cccc(F)c21 962897908 LRWNZFYBWDUBAH-KXBFYZLASA-N 329.371 3.092 10 1 EGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 95557214 YERIEFHURHTWDA-LJQANCHMSA-N 333.391 3.323 10 1 EGCF CCn1c(O)c(N=NC(=O)CNC(=O)c2ccco2)c2ccccc21 299813174 TURQXJIGOFGXLZ-UHFFFAOYSA-N 340.339 3.000 10 1 EGCF CCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 1857638086 FYWCXFOZPHVZNH-UHFFFAOYSA-N 328.320 3.366 10 1 EGCF C[C@H](C(=O)OCO/N=[N+](\[O-])N1CCCC1)c1cccc2ccccc12 13831448 PZQRVZQYNOGDOP-MPHHAOFMSA-N 343.383 3.349 10 1 EGCF CCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29307739 NTTUVITZHCLAHC-CYBMUJFWSA-N 326.348 3.097 10 1 EGCF Cc1onc(C(=O)O)c1[C@@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169727560 CODUMMNITACBIB-QDZNAHNCSA-N 349.259 3.343 10 1 EGCF Cc1c(O)c(CCC(C)C)c2c(c1O)C(=O)c1cccc(O)c1C2=O 28704296 WWUQQOQPOGZVSK-UHFFFAOYSA-N 340.375 3.476 10 1 EGCF biogenic NC(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 13601079 RQHBBZVAGTVCHP-UHFFFAOYSA-N 343.390 3.395 10 1 EGCF O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 59932874 UFNAFOTWOKHFSY-LALPHHSUSA-N 338.329 3.318 10 3 EGCF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O 587785969 QMQPASVLOWRSKE-ONEGZZNKSA-N 341.323 3.370 10 1 EGCF CN(C)CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 13651663 URJASGMRUHMAJX-UHFFFAOYSA-N 335.359 3.149 10 1 EGCF CN(C)/N=N\c1ccnc2c(I)cccc12 105364505 SMHWDPIIPGKFCW-PFONDFGASA-N 326.141 3.400 10 1 EGCF C[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)[C@H](c2cccc(F)c2)CO1 1772625208 CEEUUCMHBFYGQS-PXAZEXFGSA-N 342.370 3.123 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC3=O 104370301 UXVPWKDITRJELA-PDOICOKGSA-N 346.423 3.258 10 1 EGCF in-man COc1ccc2c(c1)N(C)[C@H]1c3[nH]c4ccccc4c3CCN1C2=O 95556343 QAXSEGNEDVZUMK-LJQANCHMSA-N 333.391 3.323 10 1 EGCF CN(C)CCNC(=O)c1cc2ccccc2c2nc3ccccc3nc12 5808504 VHRGASTUAXQBLT-UHFFFAOYSA-N 344.418 3.228 10 1 EGCF COC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857765252 QJHUORNAEBHZHP-QPJJXVBHSA-N 326.304 3.403 10 1 EGCF Oc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1O 58547696 WXJMHQNBAKWELH-UHFFFAOYSA-N 348.156 3.253 10 1 EGCF C[N+](C)(C)Cc1cc(-c2ccc(O)c(C[N+](C)(C)C)c2)ccc1O 36466000 JAXDNNWODZEONP-UHFFFAOYSA-P 330.472 3.177 10 1 EGCF Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccccc1O 40860036 WWZQNCPVCLRRMF-UHFFFAOYSA-N 342.786 3.246 10 1 EGCF N=c1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c[nH]1 587253556 BOVHZUANRQLSTC-UHFFFAOYSA-N 331.379 3.336 10 1 EGCF CC=C1CN2[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2c(OC)cccc12 2356464006 UODIREBYLLUENO-SPUZQDLCSA-N 338.451 3.043 10 1 EGCF C[C@@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 45261708 NBTJLUQKBYDWKJ-APXLUKDGSA-N 334.456 3.240 10 1 EGCF CN1c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95556294 SXVBSSRRBCGXHS-GOSISDBHSA-N 348.362 3.223 10 1 EGCF CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N(CC)CC)cc1 101448542 ZBNQVWGUGHPBSP-VLGSPTGOSA-N 340.449 3.022 10 1 EGCF COc1cccc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)c1 5842879 QXBSOYGWZPWBRH-PDGQHHTCSA-N 334.375 3.066 10 1 EGCF Oc1ccc2c(c1)[C@H](c1ccc(OC(F)(F)F)cc1O)NCC2 963342060 QQKUUYGNWQAJIK-HNNXBMFYSA-N 325.286 3.232 10 1 EGCF O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@H]2O[C@H]12 169329589 IAZDPBQFVGPXEJ-IAGOWNOFSA-N 348.276 3.431 10 1 EGCF Cn1cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103287064 ZKWPROKRMXLLPJ-UHFFFAOYSA-N 327.343 3.344 10 1 EGCF COc1ccc(C(=O)COc2ccc([N+](C)(C)C)cc2)cc1OC 13586889 JKKAWBRGAOZJBD-UHFFFAOYSA-N 330.404 3.162 10 1 EGCF C[C@@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 253636954 XTFJLUYMPYNUJZ-PIGZYNQJSA-N 326.356 3.295 10 1 EGCF COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1 28824736 CRWOZUDCPSMNEQ-MRXNPFEDSA-N 345.811 3.152 10 1 EGCF CN(C)[C@H]1CN(Cc2ccccc2O)C[C@@H]1c1cn(C)c2ccccc12 299843878 ZCESEIFCDJDLFP-CTNGQTDRSA-N 349.478 3.414 10 1 EGCF COc1cc(O)c([C@@H]2N[C@H]3CC[C@@H]3c3ccc(OC)cc32)c(OC)c1 962995221 MOHIBIXPFJYZFF-PTSWNOGYSA-N 341.407 3.357 10 1 EGCF CC[C@H]1CCCCN1CC(=O)N1N=C(C)C[C@@H]1c1ccccc1O 195510332 BPCDFHZDDVMFIA-DOTOQJQBSA-N 329.444 3.306 10 1 EGCF C[C@H](CCc1ccc(O)cc1)OC(=O)/C=C/c1ccc(O)c(O)c1 15113340 SLQHWTMMMMIIMN-SVTZGKHISA-N 328.364 3.381 10 1 EGCF COc1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1 98085582 DJBLTJTVJPZRAE-RTBURBONSA-N 334.379 3.099 10 1 EGCF Cc1ccc([C@H](C)Oc2cc(-c3ccn(C)c(=O)c3)cnc2N)cc1 1857579678 MGGOWLLXUKUFKF-AWEZNQCLSA-N 335.407 3.478 10 1 EGCF O=C1OCc2cc3ccc4c(c3c(-c3ccc(O)c(O)c3)c21)OCO4 96909752 YVOISEUYZGIFQT-UHFFFAOYSA-N 336.299 3.317 10 1 EGCF COc1ccc2c(c1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 13383917 BEIZGBSEZACCGQ-HNNXBMFYSA-N 341.407 3.074 10 1 EGCF biogenic COc1cc(/C=C/Cc2ccc(O)c(O)c2OC)ccc1OC(C)=O 28712331 HBVDUEKDXPQEBN-SNAWJCMRSA-N 344.363 3.296 10 1 EGCF CCCNC(=O)C[C@H]1CCN(Cc2ccc(OC)cc2O)C[C@H]1CC 2356858147 SWLCPRHHYQNELC-HZPDHXFCSA-N 348.487 3.165 10 1 EGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@H]21 587275595 DXNSVODLSWQVGI-HUBLWGQQSA-N 348.366 3.348 10 1 EGCF COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)c(OC)c1 13560430 IAFZMTVQDVELPN-GOSISDBHSA-N 340.379 3.107 10 1 EGCF Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 14945645 RAIKTPLTDIBFLU-UHFFFAOYSA-N 340.333 3.499 10 1 EGCF COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O 587784628 BLQZSLSKIXIRFK-WAYWQWQTSA-N 327.296 3.061 10 1 EGCF CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(Cc2ccccc2)CCC1=O 12474442 LWJGQEMCXCVVPG-KRWDZBQOSA-N 329.448 3.446 10 3 EGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2 40374412 OPSLFUQVYYSYDA-QILLFSRXSA-N 326.440 3.184 10 1 EGCF Cc1ccc(-c2ccc(F)cc2)n1CCC[C@@H]1C[C@@H](O)CC(=O)O1 26835884 SNRLXLKLVVFAQQ-IAGOWNOFSA-N 331.387 3.449 10 1 EGCF CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3CC[C@@H]12)C(=O)O[C@H]4CO 653791331 KBVVUWSGMLMTPO-PVUDRZGPSA-N 346.423 3.332 10 1 EGCF C[C@@H](CCc1ccc(O)cc1)OC(=O)/C=C/c1ccc(O)c(O)c1 15113338 SLQHWTMMMMIIMN-HJTPGIPUSA-N 328.364 3.381 10 1 EGCF O=C(NCc1ccccc1F)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857552582 REFVDGFBYZBUDT-UHFFFAOYSA-N 349.317 3.124 10 1 EGCF O=C1c2oc3c(c2C(=O)c2cccc(O)c21)c(=O)oc1ccccc13 1857749608 ZKZUWCSTPJSZDC-UHFFFAOYSA-N 332.267 3.020 10 1 EGCF CN(CCO)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587193022 POBOUHHQGGVKPQ-UHFFFAOYSA-N 346.774 3.220 10 1 EGCF CCc1cc(O)c2c(c1)C=C(O)[C@@H]1C(=O)c3c(O)cccc3C(=O)[C@H]21 2356805982 VLVMFRLFBOEDGO-ZWKOTPCHSA-N 336.343 3.352 10 1 EGCF COc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1 169723223 LFXQDIJNEDMSCB-CZIZESTLSA-N 325.328 3.198 10 1 EGCF COc1cc2c(cc1O)[C@@H]1CCc3cc(OC)c(O)cc3N1CC2 238776180 OYVCTPHFRYBPCW-AWEZNQCLSA-N 327.380 3.165 10 1 EGCF COc1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1 98085581 DJBLTJTVJPZRAE-OALUTQOASA-N 334.379 3.099 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N 104383461 NFXKGLBUURRKEA-PJKMLTEKSA-N 345.439 3.224 10 1 EGCF in-man CCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27760311 YDTMCAGPDAZSQV-UHFFFAOYSA-N 347.411 3.453 10 1 EGCF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O 587451913 SBSPMKHTXVRCRW-VBKZILBWSA-N 340.375 3.245 10 1 EGCF CN1CCc2c3c(cc4nc(N)sc24)-c2c(ccc(O)c2O)C[C@H]31 40934346 GEGIIDSRIPIFFT-GFCCVEGCSA-N 339.420 3.042 10 1 EGCF C[C@@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 253636951 XTFJLUYMPYNUJZ-DIFFPNOSSA-N 326.356 3.295 10 1 EGCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)cc1 103252732 DHMUOXBEXPDVJI-AWEZNQCLSA-N 330.432 3.136 10 1 EGCF COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2N(C)C1 169312474 XVMWFBHUQPZHDJ-AYBZRNKSSA-N 340.467 3.430 10 1 EGCF CCNC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857770299 ILJRUGGQFLSZDA-VMPITWQZSA-N 339.347 3.366 10 1 EGCF COC(=O)c1cc(/N=N/c2sc(N)nc2C)cc(C(=O)OC)c1 98085863 CXJZFJNVSZSPIZ-ISLYRVAYSA-N 334.357 3.022 10 1 EGCF NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 3893908 DNJCOYQCPWJMLI-FRQROOTJSA-N 330.453 3.144 10 1 EGCF C[C@]1(c2cc3c(cc2O)CCCC3)NCCc2c(C(=O)O)cccc21 963125804 UYANMRFOMJLQKX-NRFANRHFSA-N 337.419 3.378 10 1 EGCF C[C@@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C 13480663 YAEYZUNXGHROJK-ZETCQYMHSA-N 328.320 3.122 10 1 EGCF biogenic COc1ccc2c(c1)[C@]1(CC(=O)C(=O)c3ccccc31)N(C(C)C)CC2 962086820 DEROXJVVUGMROU-JOCHJYFZSA-N 349.430 3.361 10 1 EGCF O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 15952441 UFNAFOTWOKHFSY-SLEUVZQESA-N 338.329 3.318 10 3 EGCF Oc1cc(O)c2c(c1)CCN[C@H]2Cc1ccc(Br)cc1 103173767 ZRGHJFPBRWVZQV-AWEZNQCLSA-N 334.213 3.290 10 1 EGCF O=C1c2[nH]cc3c2C(=NCC3)c2c(-c3c[nH]c4ccccc34)c[nH]c21 14884373 XUKANBLDSRNPMH-UHFFFAOYSA-N 326.359 3.429 10 1 EGCF biogenic COc1cc(OC)c(CCCc2ccc(OC)c(O)c2O)cc1O 66260187 MFDOSUHLWKCGJQ-UHFFFAOYSA-N 334.368 3.005 10 1 EGCF CCCOc1ccc(N2CCN(c3noc(CC)n3)C[C@H]2C)cc1 261146266 NXWDRRVGSHPYMQ-CQSZACIVSA-N 330.432 3.136 10 1 EGCF Cc1ccc(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1C 13648943 MNMRBCHWHUPXKX-CSKARUKUSA-N 325.408 3.477 10 1 EGCF Cc1cc(N(C)C)cc(C)c1[C@@H]1c2ccsc2CCN1C(N)=O 962716288 WNEKPTXNNMLUTH-KRWDZBQOSA-N 329.469 3.457 10 1 EGCF Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)c(O)c1 1857612799 PVYSKFMPUKRGIN-UHFFFAOYSA-N 334.173 3.349 10 1 EGCF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2N(C)C1 169312471 XVMWFBHUQPZHDJ-SUMDDJOVSA-N 340.467 3.430 10 1 EGCF COc1cccc2c1C(=O)N[C@@]21Oc2cc(C)cc3ccc(O)c1c23 2356327678 GPENGJFTMNVPAP-HXUWFJFHSA-N 333.343 3.199 10 1 EGCF CN1CCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1 66066465 SBLUSCRTUNCVIR-UHFFFAOYSA-N 329.403 3.198 10 1 EGCF CN1CCO[C@@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1 169307094 YYNJJGDTZUNLPJ-GOSISDBHSA-N 328.437 3.026 10 1 EGCF O=C1CSC(=S)N1CCNc1ccnc2cc(Cl)ccc12 95588808 SGEAKSVONHTKPC-UHFFFAOYSA-N 337.857 3.160 10 1 EGCF O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 299813222 LNUJHRYWQNZNCN-AWEZNQCLSA-N 341.298 3.463 10 1 EGCF O=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O 584905288 OESDFRIOBRBPRO-UHFFFAOYSA-N 325.295 3.236 10 1 EGCF in-vitro Nc1ccc(C2(c3ccc(N)cc3)C(=O)c3ccccc3C2=O)cc1 98084409 LXLAWOILCYJHJC-UHFFFAOYSA-N 328.371 3.216 10 1 EGCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](/C=C/c2ccccc2)N1 103066399 SNSPYXAFPBEKAM-PLSXKVAHSA-N 344.370 3.318 10 1 EGCF O=C1C[C@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1 587531466 GNINKZLDFSAKKL-GOSISDBHSA-N 326.348 3.389 10 1 EGCF COc1cc2c(cc1OC)N1CCc3cc4c(cc3[C@@H]1CC2)OCO4 34086331 BKWGMBUSNLTNQE-HNNXBMFYSA-N 339.391 3.483 10 1 EGCF biogenic CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c(O)c1O 29464740 BHMAXGYZHGTXAG-UHFFFAOYSA-N 327.380 3.125 10 1 EGCF Cc1cccc([C@@H]2CNCCc3c2cc(O)c(O)c3Br)c1 89464572 HGQXWXQQBNFBJT-AWEZNQCLSA-N 348.240 3.446 10 1 EGCF CC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 13379071 YXEPHAVILJDRHK-VIFPVBQESA-N 336.343 3.028 10 1 EGCF biogenic,in-vitro C[C@@H]1Oc2cc3oc4ccc(O)c(O)c4c(=O)c3c(O)c2C1(C)C 238772114 ZVMPNRZUHNMPKN-ZETCQYMHSA-N 328.320 3.122 10 1 EGCF Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)cc1 1857768671 OKVLARLGMKELSE-UHFFFAOYSA-N 345.358 3.143 10 1 EGCF CC[C@@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O 101330682 RZLNMBMFWWRXGJ-CQSZACIVSA-N 327.429 3.126 10 1 EGCF CCc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1 212919 VMDSINVWKJFLCX-UHFFFAOYSA-N 331.397 3.000 10 1 EGCF NC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 587256878 SKDUQNIQVWGMSD-UHFFFAOYSA-N 345.402 3.323 10 1 EGCF COc1cccc2cc3c(nc12)[C@@H](c1ccc(O)c(C)c1O)NCC3 963057144 LQNGSSLXUQVPBU-LJQANCHMSA-N 336.391 3.198 10 1 EGCF CN(CCO)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587192847 GPFYKGBNDXATKX-UHFFFAOYSA-N 337.210 3.360 10 1 EGCF CC[C@]1(c2ccc(C)cc2O)N[C@H](C(=O)O)Cc2cccc(F)c21 962897907 LRWNZFYBWDUBAH-HNAYVOBHSA-N 329.371 3.092 10 1 EGCF O=C(CCNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2ccccc12 253966819 SUMOKPIHVGAOAB-UHFFFAOYSA-N 336.351 3.304 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C(=O)[C@@H]2OC3=O 13337165 LGMZDFRDZKIULZ-UWVAXJGDSA-N 344.407 3.466 10 1 EGCF O=[N+]([O-])c1ncn(CCCNc2c3ccccc3nc3ccccc23)n1 73168705 OQANMQYFWRFUQI-UHFFFAOYSA-N 348.366 3.390 10 1 EGCF Cc1nc(N)sc1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O 253977272 CXQQIYUROQSAER-UHFFFAOYSA-N 328.401 3.247 10 1 EGCF CN1c2cscc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 474608537 MMDQIRSSFORXMT-MRXNPFEDSA-N 325.393 3.082 10 1 EGCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1 96934707 ZKWCQHZWGLYSKQ-NQIIRXRSSA-N 331.371 3.339 10 1 EGCF Cn1c(O)c(/N=N\C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 13564143 GAXICPNENSDXRJ-MVZUJROASA-N 337.335 3.334 10 1 EGCF COc1ccc2c(c1)[C@@](C)(CCOc1ccc(N(C)C)cc1)C(=O)N2 1772596896 RHIPPLBIVAYXBN-HXUWFJFHSA-N 340.423 3.440 10 1 EGCF CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)C2=O 35845983 SWVDNEGGBBYXGS-ABSDTBQOSA-N 344.407 3.407 10 1 EGCF Nc1ncnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587080830 PWTGINKSKZOTPC-CWSCBRNRSA-N 338.802 3.415 10 1 EGCF Cc1n(CC(C)C)c2c([n+]1CC(C)C)C(=O)c1ccccc1C2=O 1857601970 AHFHWEZRHLVKGT-UHFFFAOYSA-N 325.432 3.171 10 1 EGCF CC(C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49112311 POKYHCUJXGDDRU-UHFFFAOYSA-N 331.733 3.439 10 1 EGCF COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@@H]2C)cc(O)c1O 2356417988 TVMFAGHLQARTAM-WNWIJWBNSA-N 330.336 3.252 10 1 EGCF COc1cc2c(cc1O)[C@H]1CCc3cc(OC)c(O)cc3N1CC2 2356683295 OYVCTPHFRYBPCW-CQSZACIVSA-N 327.380 3.165 10 1 EGCF C[C@H]1Oc2cc(O)c3c(=O)c4cc(O)c(O)cc4oc3c2C1(C)C 13480668 WSGWOIHAZGXOFX-SSDOTTSWSA-N 328.320 3.122 10 1 EGCF biogenic CCNc1nc(/N=N/Cc2ccc(N(C)C)cc2)nc(NCC)n1 169691371 ZDRAKBBXVGTZKJ-FCDQGJHFSA-N 328.424 3.085 10 1 EGCF CCOP(=O)(OCC)c1c(C)oc2c1C(=O)c1ccccc1C2=O 1857609793 DIYWSBSIEFNNGX-UHFFFAOYSA-N 348.291 3.255 10 1 EGCF