smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)c1 13474622 FRMOMXCMQJRNOS-UHFFFAOYSA-N 348.450 5.122 0 1 EKAF CON(C)CCCCCCCCCCCCCCc1cccnc1 14885509 WQCSPPPMWNLBNV-UHFFFAOYSA-N 334.548 5.799 0 1 EKAF biogenic CCCCCCC(=O)CC/C=C\C/C=C\C=C\CCCCC(=O)O 26270641 XYOBLSGKQLQNHF-LEUHVFIFSA-N 334.500 6.010 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccc(F)cc3)cc2)c(=O)c1Cl 45168511 JAVHVSZFFAUYOW-UHFFFAOYSA-N 343.785 5.244 0 1 EKAF COC(=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1 45287042 KYCYTEMIIRTWRD-UHFFFAOYSA-N 332.355 5.455 0 1 EKAF C[C@@]12C=C(/C=C\c3ccccc3)[C@@](C)(C1)[C@H](c1ccccc1)CC2=O 66167155 LGLMIMABSGWABG-QSHGHRDASA-N 328.455 5.799 0 1 EKAF OC1=C2Sc3cc(F)ccc3N=C2C[C@H](c2ccc(Cl)cc2)C1 100796246 OTHRPXZOUNCYQW-NSHDSACASA-N 345.826 6.005 0 1 EKAF O=C1C[C@@H](c2ccccc2OCc2cccc(F)c2)Oc2ccccc21 299855982 BKHNKKKOEWSRGA-QFIPXVFZSA-N 348.373 5.111 0 1 EKAF Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCCCC3)cc2c1 299866173 OPAWENVXJKJQFM-UHFFFAOYSA-N 348.372 5.030 0 1 EKAF Cc1ccc(C)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063663 YHQHJQCHZJIGKM-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF CCc1cccnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107428 RLCVEXHPZPYZRN-UHFFFAOYSA-N 336.394 5.071 0 1 EKAF CCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587208096 YYSFHLCKYFHRRK-UHFFFAOYSA-N 349.433 6.066 0 1 EKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(F)c2[nH]1 587247964 ZYVAJOWPYDGIGQ-UHFFFAOYSA-N 347.393 5.117 0 1 EKAF O=C(c1cc(Cl)sc1Cl)c1coc2ccc(Cl)cc12 587278517 IBWXDWBBRFUTHG-UHFFFAOYSA-N 331.607 5.686 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)c1cccc(Cl)c1)CC2=O 587461967 MBUHKCWACCIBDI-BLVKFPJESA-N 344.838 5.136 0 1 EKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(C)C 587512051 KGDCUOVBVJUQFB-OAQYLSRUSA-N 337.463 5.271 0 1 EKAF FC(F)(F)c1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1 1857761632 MHXHFIIKZXFJNV-UHFFFAOYSA-N 329.321 6.241 0 1 EKAF CC[C@H](C)CCCCCCCCC=CCCC=CCCCC(=O)O 2356307048 MSSRAIBXLMBRKT-NRFANRHFSA-N 336.560 7.301 0 1 EKAF CCCC[C@H](C)C[C@]1(CC)C=C(CC)[C@@]2(C=C(CC(C)C)C(=O)O2)O1 2356805001 ZNEOQZOOEAMULR-MTNREXPMSA-N 348.527 5.944 0 1 EKAF CC(C)c1cc(-c2cc(-c3ccccc3)on2)nc(NC2CCCC2)n1 13660301 POEFNQTVTXTIRX-UHFFFAOYSA-N 348.450 5.277 0 3 EKAF Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc12 13672204 YXHTYDSOIVPINR-UHFFFAOYSA-N 342.446 5.237 0 1 EKAF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(Br)c1 25965210 RLDATGZVIQOGNJ-CVEARBPZSA-N 349.268 5.548 0 1 EKAF C[C@H](c1ccc2oc3ccccc3c2c1)n1cc(-c2ccccc2)nn1 84654252 GJVRAGDDQZOJOS-OAHLLOKOSA-N 339.398 5.454 0 1 EKAF CC(C)N(CCOc1ccccc1CCC1CCCCC1)C(C)C 169333017 HIPUAPVITPMTIO-UHFFFAOYSA-N 331.544 5.697 0 1 EKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586888535 KNGZGWNUHCSYRQ-MGPLVRAMSA-N 335.234 5.015 0 1 EKAF C[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587098348 QNPXEBNCLSGKBE-ZETCQYMHSA-N 344.258 5.151 0 1 EKAF Fc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587145724 PZLUJGMEXKEFEW-UHFFFAOYSA-N 330.281 5.120 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(F)c1Cl)CC2=O 587466868 PTFZMGQJNPKUQL-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CC1(C)CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526168 RLSUJAGRTAZJQT-DEOSSOPVSA-N 346.470 5.498 0 1 EKAF Fc1ccc2[nH]cc([C@@H](c3c[nH]c4ccccc34)C(F)(F)F)c2c1 1857558646 SNOZIFIZPBISFR-QGZVFWFLSA-N 332.300 5.483 0 1 EKAF CC1=C(C)CC23CC(C)=C(C)CC2(C1)CN(C(=O)C1CCCCC1)C3 1857633562 HBVHXZATFIAMRF-UHFFFAOYSA-N 341.539 5.642 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21 13302252 VVMIBRAYCQENEA-FDFHNCONSA-N 342.479 5.024 0 1 EKAF biogenic CCCC(=O)c1cnc2c(C=O)cccc2c1Nc1ccccc1C 13742216 YQAXVVQUBKZGMU-UHFFFAOYSA-N 332.403 5.082 0 1 EKAF CCCCCCOc1ccc(C(=O)NC[C@@H]2CCCC(C)(C)C2)cc1 13864682 CHQQIHRGHALTIR-GOSISDBHSA-N 345.527 5.592 0 1 EKAF Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 34432754 UQLTWMVMIDAOMX-UHFFFAOYSA-N 335.350 5.684 0 1 EKAF Oc1cc(CC2=CCCC=C2)ccc1Oc1ccc(Cl)cc1Cl 39232487 PCLKIEFQUKGRMB-UHFFFAOYSA-N 347.241 6.310 0 1 EKAF in-vitro C[C@](Cc1ccccc1)(C1=Cc2ccccc2C1)[C@@H](O)c1ccccc1 71416563 PUWJPZHWARIESC-DQEYMECFSA-N 340.466 5.609 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(F)cc1 96940145 DOBWTOWZBBFHAY-UHFFFAOYSA-N 344.385 5.883 0 1 EKAF Cc1ccc2nc3c(cc2c1)C=NN=C(Nc1c(C)cccc1C)S3 98084160 IEKRDNMPMBGBDO-UHFFFAOYSA-N 346.459 5.068 0 1 EKAF CCOC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1-c1ccccc1 103209363 FCKIRKLDUUTSQA-UHFFFAOYSA-N 348.446 5.014 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 586898370 IXNSDNPQVGZAJF-UHFFFAOYSA-N 340.426 5.481 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3ccc4ncccc4c3[nH]2)cc1 586899131 UNRYOSUIPSERFH-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF CC1=CC[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587099501 LHRJRPWVVANLFI-INIZCTEOSA-N 339.438 5.968 0 1 EKAF Cc1ccnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587123633 FFABGVLPLGLXTK-QPJJXVBHSA-N 335.354 5.049 0 1 EKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1CC3 587210231 KMIMJIMSSZDKSS-UHFFFAOYSA-N 329.321 5.207 0 1 EKAF Cc1cccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496835 GDKZQSBROQSXNR-GOSISDBHSA-N 326.823 5.234 0 1 EKAF CCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811738 GYUDUFDEYHINLI-SJKOYZFVSA-N 342.296 5.308 0 1 EKAF Cc1cc(OCCn2c(C)cc3c2CCCC3)c(C(C)C)cc1Cl 587943036 JNQBAOFMMZQWQW-UHFFFAOYSA-N 345.914 5.840 0 1 EKAF Cc1cc([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)cc(C)c1F 962666476 MLEPOIWYZJZRQT-XMMPIXPASA-N 345.461 5.519 0 1 EKAF C[C@@H](CC1CCCCC1)[C@H]1NCCc2cccc(-c3ccccc3)c21 962666823 LRNGBRWCAUKBAD-MHECFPHRSA-N 333.519 6.147 0 1 EKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(C1CCCCC1)C1CCC1 963112263 XGHRWLDFGJTPTE-RBBKRZOGSA-N 327.487 5.422 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1772599418 ZHDLEFUWWZMTQD-RTQHUTGTSA-N 329.572 5.906 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772655612 SFCAWQRQEKFDTH-LZTJMKBJSA-N 347.502 5.607 0 1 EKAF CCCCCC=CCCCCCCC=CC=CC(=O)NCC(C)C 2356639415 PCWWIOUZYOPZHT-UHFFFAOYSA-N 333.560 6.348 0 1 EKAF CC(=O)O[C@@H]1CC[C@](C)(O)C=C[C@@H]2CC[C@H](C(C)C)[C@@]2(C)CC=C1C 2356794174 KZBAFHDIJTZFSN-POHUPDAJSA-N 348.527 5.044 0 1 EKAF CC(C)=CCc1c(O)ccc2c1O[C@@H]1c3cc4ccoc4cc3OC[C@@H]21 5854628 VAVHXRDWDOYXSV-HTAPYJJXSA-N 348.398 5.257 0 1 EKAF biogenic O=S1C(Cl)=C(c2ccc(Cl)cc2)c2ccc(Cl)cc21 6221890 KRQWXYQYYVKGQP-UHFFFAOYSA-N 329.635 5.070 0 1 EKAF FC(F)(F)c1ccc(O[C@H](CCn2ccnc2)c2ccccc2)cc1 28386974 XXBMUFKLXRCIFB-GOSISDBHSA-N 346.352 5.112 0 1 EKAF C[C@H]1CCc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572601 KHYPPUBLNCEADC-ZETCQYMHSA-N 335.156 5.248 0 1 EKAF CCCCCCC1=Cc2ncnc(N)c2[C@](C)(CCCCCC)C1 29045705 WMCWIKUCGJJFBD-OAQYLSRUSA-N 329.532 6.044 0 1 EKAF C[n+]1ccccc1/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 40873159 SCMBZRXSKZVROZ-VOTSOKGWSA-N 331.222 5.248 0 1 EKAF O=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12 71334343 SDIOEEPCYSUHDX-UHFFFAOYSA-N 347.201 5.496 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC(F)F)cc2)n1 72101416 LGYDOBLZLFMBJT-ZDUSSCGKSA-N 338.398 5.001 0 1 EKAF CCCCCC[C@H](C)CCCCCCCCCCCC[C@@H](O)CO 102186346 HVCZYABNQXPMMX-FCHUYYIVSA-N 342.608 6.627 0 1 EKAF CCCCC/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)O 136438114 UTYSUTLIZWEFQS-BTJBOJAASA-N 346.511 5.744 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1cccs1)[C@H]1C(=O)CC(C)(C)CC1=N2 169690671 PZOQTZIHCOGITR-MOPGFXCFSA-N 338.476 5.301 0 1 EKAF CC/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2 238733513 FMPYPHJPXNPQNT-XSOBDOKWSA-N 340.419 5.070 0 1 EKAF Clc1cnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587051501 SVZOVPAIGXGJFU-DTWKUNHWSA-N 338.625 5.189 0 1 EKAF CC(C)(C)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138627 NLRIGTRCCAMWFH-UHFFFAOYSA-N 332.369 5.063 0 1 EKAF CC(C)[C@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208180 QYATWYQKFUATAJ-HUUCEWRRSA-N 341.454 6.083 0 1 EKAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1c1nc2cccc4c2c(c1CC3(C)C)CC4 587216104 ZLUZCLCZSPYFTN-HXKVFGNASA-N 331.503 5.826 0 1 EKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587625942 ADZXXTGQCJAUTO-LLVKDONJSA-N 336.863 5.278 0 1 EKAF Clc1cccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)c1 587920331 HPQIWMTVJSORRL-UHFFFAOYSA-N 342.851 5.314 0 1 EKAF Fc1ccc(OCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1 14950 SNXVBAOOINCPOX-UHFFFAOYSA-N 349.449 5.270 0 1 EKAF CCO[P@@](C)(=O)[C@@H](Nc1ccc(F)cc1)c1ccc(F)cc1 1645998 QONJQAUHSKXQFB-OPAMFIHVSA-N 325.295 5.020 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccno1 4759237 RBGXPUBOKUORNP-SPHVDITISA-N 341.495 5.082 0 1 EKAF Cc1c(NCCc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O 13589028 VWIFHPCMNJUFAT-UHFFFAOYSA-N 335.447 5.054 0 1 EKAF CN(C)[C@@H]1C=C[C@]2(CC1)c1ccccc1CCc1ccc(Cl)cc12 13649951 QPNVVIACYJVUOX-KNQAVFIVSA-N 337.894 5.005 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)C 13797895 RBOGOUAWIJCUFT-GKFVBPDJSA-N 332.572 7.557 0 1 EKAF Cc1ccc(CN(C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc1 40847336 RXHLAALOQHJKHJ-JOCHJYFZSA-N 333.475 5.457 0 1 EKAF CCOc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1 49109538 RESUKSBAYZBGEC-UHFFFAOYSA-N 332.378 5.230 0 1 EKAF c1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccncc4)cc3s1)CO2 49109587 ANARSAAFHJUWIH-KRWDZBQOSA-N 344.439 5.077 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@@H]1C2 87721997 QUFRNANIXKUCID-AQKUHFDBSA-N 348.527 5.347 0 1 EKAF Cc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1C 95580877 YHBSZKUCSQEUNF-UHFFFAOYSA-N 347.527 5.287 0 1 EKAF Cc1ccc(-c2cc3c(=N)sc(=S)[nH]c3n2-c2ccccc2)cc1 169313040 KACQKHTWWMDTIB-UHFFFAOYSA-N 349.484 5.204 0 1 EKAF Cc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700105 XTMNWGZJALEQJN-UHFFFAOYSA-N 336.822 5.212 0 1 EKAF CCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O 238778250 GJUNKDKCJGOYBV-LRKAYDMASA-N 330.512 6.773 0 1 EKAF Cn1cc([C@H]2CC(=O)c3cccc(Cl)c3S2)c2ccccc21 299829640 HTCYTJBTKANYSX-QGZVFWFLSA-N 327.836 5.252 0 1 EKAF c1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)cc1 473249680 YBHCPSGFEULLEH-UHFFFAOYSA-N 325.436 6.048 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cc1 586879858 KNYZYJXLLXMJEL-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Fc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1C(F)(F)F 586884336 HCQXRCQUACQTDL-ACJLOTCBSA-N 346.327 5.092 0 1 EKAF CCCC(Br)(CCC)c1nc2cnc3ccccc3c2[nH]1 586971426 ROLWMMWXVKENRV-UHFFFAOYSA-N 346.272 5.302 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3)nc3ccc(O)c1c23 586991101 IGUNWGMFSRTLQI-ZHACJKMWSA-N 349.389 5.322 0 1 EKAF O=C1C[C@]2(CCc3cccc(Cl)c32)Oc2c1ccc1c2CCCC1 587498517 IVEJRTUPXQXZBY-NRFANRHFSA-N 338.834 5.026 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 587564928 QAUGHQDLGACJNM-UHFFFAOYSA-N 342.870 5.791 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587951839 TZQUFFAJWRZKPH-JTQLQIEISA-N 342.320 5.273 0 1 EKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587952027 WLMAWLNNXIFTLP-UHFFFAOYSA-N 348.324 5.060 0 1 EKAF COc1cccc(-c2c(-c3ccccc3)oc3c(OC)cccc23)c1O 1772601165 LDCGCNZCYTVHBU-UHFFFAOYSA-N 346.382 5.490 0 1 EKAF CCC=CCC=CC=C[C@H](O)CC=CCC=CCC=CCCC(=O)O 2356345481 SEVOKGDVLLIUMT-NRFANRHFSA-N 344.495 5.520 0 1 EKAF C=CC(C)=CC[C@H]1[C@@]2(C)CCC[C@](C)(COC(C)=O)[C@H]2CC[C@@]1(C)O 2356382797 ODZIXXROBXQYOH-OQEHDIDLSA-N 348.527 5.046 0 1 EKAF CCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1 2356413271 VNUMDBCQWDYHOF-UHFFFAOYSA-N 346.555 7.114 0 1 EKAF COc1cc(Cl)c(Oc2cc(OC)cc(Cl)c2O)c(Cl)c1 14769894 FDQGUJAYRAIJFK-UHFFFAOYSA-N 349.597 5.162 0 1 EKAF biogenic Cc1cc(C(=O)c2c(N)sc3c2CCC3)cc2ccc(Cl)cc12 27899523 FGRBNWKWOQZMPJ-UHFFFAOYSA-N 341.863 5.165 0 1 EKAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29318561 BSEAIIVNBLDSER-SJCJKPOMSA-N 339.788 5.545 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2ccco2)s1 40916075 CLZMSEHWSJFOKL-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF Clc1cccc(O[C@@H](c2ccccc2)C2CCNCC2)c1Cl 42989160 AMLGZPQHVSFYSD-SFHVURJKSA-N 336.262 5.113 0 1 EKAF COc1cccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)c1 45168424 BPHQITCWYHSIMG-UHFFFAOYSA-N 344.389 5.299 0 1 EKAF O=C(OCc1ccccc1)N1C=C[C@H]2C[C@@H]1c1c(Cl)cccc12 61942409 XELSDQWBSMOHJJ-WMLDXEAASA-N 325.795 5.035 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(CCCC)cc2)n1 72103689 VDAWBGQGULWBCU-KRWDZBQOSA-N 328.500 5.743 0 1 EKAF N=C(N)Cc1cccc2c(-c3ccc(C(F)(F)F)cc3)cccc12 95596295 ZSBVWUFJQWGXRA-UHFFFAOYSA-N 328.337 5.004 0 1 EKAF c1ccc(CCCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753868 YPYBLULGXVPCAF-AUSIDOKSSA-N 344.502 5.643 0 1 EKAF CC(C)N(CC[C@H](O)c1ccc2ccccc2c1)Cc1ccccc1 145189747 CLOPHTQFLXAHNG-QHCPKHFHSA-N 333.475 5.174 0 1 EKAF CCOC(=O)/C=C(C)/C(F)=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 145917967 XPMUOSSKBRSJAP-ABGMEOPGSA-N 346.486 6.378 0 1 EKAF COc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1 148048856 JVAQWKFBYWPNEL-UHFFFAOYSA-N 342.438 5.696 0 1 EKAF c1ccc(Oc2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884953 RTXARCHONMBZBU-NBZRVGKJSA-N 344.458 5.823 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586904340 SGWANFFUFNSWLN-UHFFFAOYSA-N 348.299 5.696 0 1 EKAF Clc1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 587024812 DEUMCTCIERIINI-UPHRSURJSA-N 339.645 5.211 0 1 EKAF Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095421 YHMOSNBBGGOFKK-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF Fc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587145881 UJLFWUHFMWYNKZ-UHFFFAOYSA-N 336.341 5.087 0 1 EKAF Cc1c(-c2ccc(Br)s2)nc2cccc3c2c1CC3 587360149 LXMSVLKZDGEIOG-UHFFFAOYSA-N 330.250 5.133 0 1 EKAF C[C@]1(CCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501958 BAIPIODXJKQPGY-QFIPXVFZSA-N 338.422 5.061 0 1 EKAF Cc1ccc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1C 587920985 OSUMFNVHWOQOSE-UHFFFAOYSA-N 333.378 6.113 0 1 EKAF CCc1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 240586 MRSMRFLZIWXGKF-UHFFFAOYSA-N 331.415 5.093 0 1 EKAF CCCCCCOc1ccc(C(=O)NC[C@@H]2CCCCC2(C)C)cc1 13864680 UVNZZRWPQHARRZ-IBGZPJMESA-N 345.527 5.592 0 1 EKAF Clc1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28129468 CPHWJZIZOPNFTC-SZPZYZBQSA-N 346.861 5.367 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccncc3)C2)c1 40972809 YYGJKNMDBGPVCJ-FQEVSTJZSA-N 332.428 5.145 0 1 EKAF CC(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 71317960 DTKAXQUFTLZFFH-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)CC2 205795823 ZATUNKOSOLFDCW-UHFFFAOYSA-N 329.365 5.392 0 1 EKAF Fc1cc(F)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587047972 DDIAZSNEZCXRJX-BDAKNGLRSA-N 339.172 5.419 0 1 EKAF FC(F)C(F)(F)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587089114 JGQYDOWRGDSFSA-UHFFFAOYSA-N 326.318 5.071 0 1 EKAF Cc1ccc2c(ccc3nc(Cc4ccccc4C(F)(F)F)[nH]c32)n1 587108489 RIBVJEGVMVLJCT-UHFFFAOYSA-N 341.336 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C[C@H]1CC=C(C)C1(C)C)CC2=O 587476710 ALLMCMSPFYBRME-CABCVRRESA-N 328.452 5.061 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C)sc1C)CC2=O 587493526 RSCROCZICMRQFV-FQEVSTJZSA-N 344.476 5.294 0 1 EKAF CC(C)(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533509 WNTFGAOEXJTFIA-KRWDZBQOSA-N 340.488 5.631 0 1 EKAF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629919 NUDFQXZYWYYFEN-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF Cn1c(-c2c(-c3ccccc3)[nH]c3cccc(F)c23)nc2ccccc21 587636399 ZXYNKPWWEKKBRI-UHFFFAOYSA-N 341.389 5.528 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(F)c(C)c3[nH]2)cc1 587933909 ZLSOUSAZDRXJAP-HXUWFJFHSA-N 346.405 5.199 0 1 EKAF COc1ccc2c(c1)[C@]1(CC[C@H](c3ccccc3)C1)N(C(C)C)CC2 962096194 XLYYTZRDGPMPHZ-NZQKXSOJSA-N 335.491 5.125 0 1 EKAF Oc1ccc(-c2cn(Cc3ccccc3)cc2-c2ccc(O)cc2)cc1 1772614702 INKPXWPUZCQSBI-UHFFFAOYSA-N 341.410 5.282 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccc2)c2oc3ccccc3c2n1 1772642204 ZRYUSQLZBZTBNC-UHFFFAOYSA-N 337.378 6.021 0 1 EKAF CCCCCC=CCC=CCC=CCCCCCCC=CC(=O)OC 2356311773 PBNRIUGKKJDWRS-UHFFFAOYSA-N 346.555 7.085 0 1 EKAF CC(C)(C)OC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 13680289 LIZHEUAWHXAQOZ-UHFFFAOYSA-N 325.433 5.274 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]2C1(C)C 14410551 PHSKKUGTTBRRRA-SJBKTWHCSA-N 344.495 5.087 0 1 EKAF biogenic Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043647 GVCONUYHNJTACG-ZDUSSCGKSA-N 338.882 6.494 0 1 EKAF CCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 29051906 UVNVPJFKMOECTF-UHFFFAOYSA-N 347.462 5.114 0 1 EKAF Clc1ccc(/C=C/C=C/C2=Cc3cc(Cl)ccc3OC2)cc1 64532194 ZALYAVWPXQTTDY-ZPUQHVIOSA-N 329.226 6.039 0 1 EKAF Oc1ccc(C(=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2ccc(O)cc2)cc1 136338083 MMDMIFJZBQXIPJ-RCOXNQKVSA-N 332.443 5.356 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCC(=O)O 169622228 UOFNKTZBIIBWQR-OUJQXAOTSA-N 332.528 6.997 0 1 EKAF O=C(c1ccccc1)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1 196157685 ZBAIZFAQQKVLNC-UHFFFAOYSA-N 332.790 5.114 0 1 EKAF C=C1OC(=O)C(CCCCCC/C=C\C=C\C=C\CCCC)=C1O 238734426 PTYIAJIIGQFXSA-ZUGARUELSA-N 330.468 6.068 0 1 EKAF Cc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl 587070203 QPFXMPVPNGZPRG-NSHDSACASA-N 347.245 5.555 0 1 EKAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c(C)c1 587626947 KWIHIHSBCMYCCM-UHFFFAOYSA-N 340.854 5.616 0 1 EKAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2ccc([C@@H](C)CC)cc12 587639918 AQBATNHYHRWFLG-ZDUSSCGKSA-N 339.410 5.664 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(Cc3c(Cl)cccc3Cl)n1)O2 587873335 ZHKKBSLRIVMJKD-UHFFFAOYSA-N 335.165 5.150 0 1 EKAF Fc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956994 XSPCHKKIEULHJO-INIZCTEOSA-N 334.369 5.216 0 1 EKAF Cc1ccccc1C1CC2(C1)NCCc1cccc(-c3ccccc3)c12 962666941 UGXBDCKLMVYEET-UHFFFAOYSA-N 339.482 5.581 0 1 EKAF CC12CCCC(C(=O)Nc3nc4ccc(Cl)cc4s3)(CCC1)C2 1857649143 SVXQAVCWYQVOEL-UHFFFAOYSA-N 348.899 5.639 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356614582 ABMHRZWSHXQICN-NXLVEIQXSA-N 348.527 5.046 0 1 EKAF Fc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1 72135114 QABSCKLJBHARTE-UHFFFAOYSA-N 342.373 5.477 0 3 EKAF CC(C)c1ccc(O[C@H](C(=O)O)[C@@H](C)c2ccc(Cl)cc2)cc1 13604899 RHJPGUNXIJGGHN-UGSOOPFHSA-N 332.827 5.099 0 1 EKAF CCCC[C@@H](CC)C/C=C1\C[C@H](C(=O)OCC)Oc2ccccc21 13816085 YIUAKHWCTFVMNC-UXEIYZETSA-N 330.468 5.391 0 1 EKAF O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978949 AYQLRMNZMKEEKX-YADHBBJMSA-N 343.426 5.154 0 1 EKAF Clc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2CCC3)cc1 27706004 GOUKFKRPAQNYGR-UHFFFAOYSA-N 329.230 5.335 0 1 EKAF Oc1ccc(/C=C/c2ccc(/C=C/c3cc(O)cc(O)c3)cc2)cc1 64539049 MMWRMJAZPFUPMP-BSWSSELBSA-N 330.383 5.144 0 1 EKAF CCCC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 96922770 YCKFRYSPGOOMTP-UHFFFAOYSA-N 343.494 5.515 0 1 EKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 100290493 ZJNVIVRSORGHEF-CVEARBPZSA-N 342.523 6.821 0 1 EKAF OC1=C2Sc3cc(Cl)ccc3N=C2C[C@H](c2ccccc2)C1 100796334 KMLXQGGKAVIFQI-LBPRGKRZSA-N 327.836 5.865 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 103255312 HWDGFXFLCBGAAK-KRWDZBQOSA-N 347.289 6.347 0 1 EKAF CCCC/C=C\C/C=C/CCCCCCc1cccc(OC)c1OC 238785741 QKVPVZPGUUHBMD-QEFCTBRHSA-N 344.539 6.890 0 1 EKAF Cc1c(F)ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050574 PVQXORPVAMSYBK-NXEZZACHSA-N 335.209 5.588 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)nc1 587098205 SBZNRVFEKWAHTF-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1C1CCCC1)-c1ccccc1C3=O 587099891 WVTNCNMDWUSGIE-UHFFFAOYSA-N 327.427 5.721 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccc1)CC3 587206630 FVKMDMRQDOYKJT-MRXNPFEDSA-N 347.417 5.524 0 1 EKAF CC(C)[C@@H]1CCc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587207122 HYSIMJLAORPMPB-CABCVRRESA-N 341.454 5.768 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)CC[C@H](C)CC(C)(C)C)O2 587406785 VETWSYIWCSYVAJ-ZBQZNYHESA-N 331.500 5.400 0 1 EKAF O=C1C[C@]2(CC=C(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587520636 ACYPHAGPIMMQHI-XMMPIXPASA-N 344.454 5.537 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccccc3F)c(-c3ccccc3)[nH]c12 587624360 HVNXSASPYKCPRV-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(C)c2c1 587642523 TZNILXDAWYGRLL-LBPRGKRZSA-N 327.855 6.319 0 1 EKAF CCc1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587875304 CXHROXJPLYMXTF-UHFFFAOYSA-N 337.379 4.956 0 1 EKAF Fc1cccc2c1[C@H](CCCCOc1ccccc1)N1CCC[C@@H]1C2 963102831 GDSDUEPPSWEMGH-NQIIRXRSSA-N 339.454 5.137 0 1 EKAF CCCCCn1c(C(=O)NC(C)(C)c2ccccc2)cc2ccccc21 1857584916 SOKCSCGHDMGKSG-UHFFFAOYSA-N 348.490 5.497 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccc1 1857762779 WLRUCVIZFKNFOO-ABVATSDPSA-N 348.530 6.004 0 1 EKAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356534751 QDSWHJNTSPBQME-WUHBCXKYSA-N 330.468 5.164 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(NC=O)ccc1O 2356796268 NAVRWCCAZBUSNJ-DHWLSRIRSA-N 341.495 5.302 0 1 EKAF CCc1ccc(O[C@]2(C)CCN(Cc3ccc(SC)cc3)C2)cc1 61906913 PVFRVVPUHNGBPE-OAQYLSRUSA-N 341.520 5.014 0 3 EKAF Fc1ccc([C@@H](Oc2cccc3ccccc23)[C@H]2CCCNC2)cc1 13530793 IPDCCVKJMHCEER-PGRDOPGGSA-N 335.422 5.099 0 1 EKAF O=C(CCCN1CCC[C@H](/C=C\c2ccccc2)C1)c1ccccc1 29310479 UECMBYLQGRGHDV-XPNMMBGKSA-N 333.475 5.075 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@@H]2CC[C@H]1N2C 29323239 RBRMVWHMOIEQRO-UGWCHPGDSA-N 349.518 5.509 0 1 EKAF Cc1ccc2c(c1)c(Sc1ccccc1Cl)c(C)n2CC(=O)O 73160708 SHWWFGVUTSBGRN-UHFFFAOYSA-N 345.851 5.147 0 1 EKAF CC(=O)c1cccc(C(C)(C)OC(=O)Nc2ccc(Cl)cc2)c1 95574589 CHRJASPKGJUMRU-UHFFFAOYSA-N 331.799 5.026 0 1 EKAF COc1cc(C)cc(Oc2cc(C)cc(OC(=O)c3ccccc3)c2)c1 95592525 ASBWLOLXASWFLH-UHFFFAOYSA-N 348.398 5.324 0 1 EKAF CCC[C@H](C(=O)O)c1c(C)nc2sccc2c1-c1ccc(C)cc1 113122621 PKHWDZOUHZKQMX-INIZCTEOSA-N 339.460 5.548 0 1 EKAF COc1cccc2c1CCN=C2c1sc2cccc(C)c2c1Cl 144720149 KLSYRSCXWQXIHH-UHFFFAOYSA-N 341.863 5.265 0 1 EKAF FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)CCC2 205795849 VICNTYBECKDXGL-UHFFFAOYSA-N 343.392 5.782 0 1 EKAF Cc1nc(C)c(-c2ccc(/C=C\c3ccccn3)cc2)c(O)c1Cl 299855847 GUXDIBLOOVIKPZ-FLIBITNWSA-N 336.822 5.290 0 1 EKAF Cc1c(Cl)ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899451 XIACJHHSLJXUKD-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF CC(C)(C)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992064 TXXQEBKDAKWFSQ-UHFFFAOYSA-N 331.415 5.131 0 1 EKAF FC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCCC1 587131915 WXBOFZFCSSGDFN-UHFFFAOYSA-N 331.616 5.108 0 1 EKAF Fc1ccc(/C=C/c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 587149659 PADWMSJHOONOTC-DUXPYHPUSA-N 325.145 5.318 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3O)nc3cccc1c23 587207257 PDCTYPGFFNPQHK-OUKQBFOZSA-N 349.389 5.322 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)C)cc1)CC2=O 587491610 XOLVUYQOGYWMJE-QFIPXVFZSA-N 338.447 5.349 0 1 EKAF Cc1c(F)ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587505604 MEBHRMQAIFPORZ-SFHVURJKSA-N 344.813 5.373 0 1 EKAF O=C1C[C@@H](c2cccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587509791 WQFAUCOWFQMLLV-KRWDZBQOSA-N 330.786 5.064 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3C(F)(F)F)c(C)c2c1 587639795 CUEZSIPUHBDSMI-LLVKDONJSA-N 349.371 6.815 0 1 EKAF O=C(c1ccccc1Cl)c1scnc1-c1cccc(Cl)c1 1857656932 QOGDNNNOYQGADR-UHFFFAOYSA-N 334.227 5.348 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCCC(=O)O)CCC[C@@]21C 27707231 GNNWYNIVILNUKO-MMXRJIGESA-N 336.560 6.536 0 1 EKAF CC(C)Cc1cn(-c2ccccc2C(=O)O)c2cc(Cl)ccc12 29044543 OJOJGNMTSBDKPN-UHFFFAOYSA-N 327.811 5.181 0 1 EKAF CCCCN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1 29566956 QDCUXSGHOJHXPC-UHFFFAOYSA-N 346.474 5.666 0 1 EKAF Cc1nccc2c3ccc(OCc4ccccc4)cc3n(CC(C)C)c12 49802929 XIXDIIXHKDUSLW-UHFFFAOYSA-N 344.458 5.733 0 1 EKAF Clc1ccc(Nc2ncnc3c2Cc2ccccc2O3)c(Cl)c1 49807574 VNLWUUPDZDUKCL-UHFFFAOYSA-N 344.201 5.224 0 1 EKAF Cc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCCC3)n12 95553328 HZBSEQJHQHNHPJ-UHFFFAOYSA-N 347.487 5.120 0 1 EKAF CC(C)(O)CCCCc1cccc(/C=C/[C@]2(C)CC[C@@H](O)CC2)c1 100738300 VUPXSZKJILWBPI-RNLIKRBWSA-N 330.512 5.125 0 1 EKAF Cc1c(CCCC(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990697 FBMHPEDQSYOOQJ-UHFFFAOYSA-N 345.442 5.439 0 1 EKAF Clc1ccc(-c2nc(-c3nc4c(Cl)ccnc4[nH]3)cs2)cc1 587016284 UFGAXRXLIDEFRM-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Cl 587131730 SINANSFCDWYRME-UHFFFAOYSA-N 332.781 5.406 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2n1 587152990 JKFGHQSWMDLMQK-UHFFFAOYSA-N 345.421 5.729 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc12 587165996 KNWSIINCOMTACL-UHFFFAOYSA-N 333.410 5.300 0 1 EKAF Cc1nc(C(F)(F)F)c(C(=O)c2coc3ccc(Cl)cc23)s1 587279024 UKWQFNFTAFQJEF-UHFFFAOYSA-N 345.729 5.101 0 1 EKAF C[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587520656 BDAPDMYUDMPKJV-DEOSSOPVSA-N 346.470 5.325 0 1 EKAF C[C@H]1CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524861 NQEIFGNWXSRHNW-WNSKOXEYSA-N 332.443 5.008 0 1 EKAF Fc1cccc2c1[C@@H](CCCCOc1ccccc1)N1CCC[C@H]1C2 963102827 GDSDUEPPSWEMGH-GHTZIAJQSA-N 339.454 5.137 0 1 EKAF CCCCCc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963111647 QUVXOPYJTWTGEM-JTHBVZDNSA-N 337.482 5.668 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccsc2)o1 963228600 MBYZFMIUHDFCIJ-BTYIYWSLSA-N 337.488 5.754 0 1 EKAF Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C(C)(C)C 1857650010 JOWMKZXUFYZUTD-UHFFFAOYSA-N 347.418 5.547 0 1 EKAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=CC[C@H]2C 2356381982 ITGQMLUIQUJILK-CYBMUJFWSA-N 340.419 5.280 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356683543 YWHGASVUJAMQSY-RBBKRZOGSA-N 332.528 6.219 0 1 EKAF COc1ccccc1-c1oc2ccccc2c1-c1ccc2c(c1)OCO2 36388956 CKOYRYPZEZRBCO-UHFFFAOYSA-N 344.366 5.504 0 3 EKAF O=C1c2ccc(O)cc2CC[C@H]1Cc1ccc(-c2ccccc2)cc1 13675290 WSDRZGNMHVUJFX-FQEVSTJZSA-N 328.411 5.047 0 1 EKAF Cc1cc(CCCc2ccccc2)c(CCCCCCC(=O)O)s1 13726631 KLFUWYTYDFTCPX-UHFFFAOYSA-N 344.520 5.809 0 1 EKAF Cc1c(O)c2ccccc2c2c1sc(NCC(C)C)[n+]2CC(C)C 27731749 BFBURMZNVKJXRZ-UHFFFAOYSA-O 343.516 5.080 0 1 EKAF O=C(O)CC1=C/C(=C\c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 40866372 SQPNVCUGHYUOEK-KPKJPENVSA-N 348.295 5.257 0 1 EKAF Cc1cccc(C)c1CNc1cc(-c2ccco2)cn2c(C)c(C)nc12 40974795 NUUQKRDJXWZEIG-UHFFFAOYSA-N 345.446 5.440 0 1 EKAF Cc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1 40976770 MLMXKZMBMJSSRG-INIZCTEOSA-N 342.446 5.210 0 1 EKAF O=Cc1ccc([C@H](CN2CC23CCCCC3)C2CCCCC2)cc1 85547951 OELMYHZWMSUJPW-FKHAVUOCSA-N 325.496 5.182 0 1 EKAF biogenic,in-vitro O=C(O)CCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184808 LNZVFVDXQMOFRR-QHAGKNOLSA-N 332.528 5.900 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1ccccc1Cl)C2 103258434 TWLKFPACEDMNGQ-OOSNJVJTSA-N 341.882 5.071 0 1 EKAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)CCC[C@@H]2C 238748941 QQAWVLSYYFBHKY-TZQNSNDFSA-N 342.435 5.199 0 1 EKAF CCc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1CC 586878184 AXLBXFNIKDZNJP-UHFFFAOYSA-N 329.241 5.117 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncncc4[nH]3)cc2)CC1 586881956 YCZXVVVYYIOMRI-WKILWMFISA-N 334.467 5.484 0 1 EKAF Clc1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 587025361 IUQFRAYYOLCCGM-UPHRSURJSA-N 339.645 5.211 0 1 EKAF Cc1ccc2c(ccc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c32)n1 587079670 KACLKWCJAKUOQP-UHFFFAOYSA-N 346.821 5.076 0 1 EKAF Cc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1C 587083378 QUUVSFVXCBWWEJ-UHFFFAOYSA-N 342.229 5.702 0 1 EKAF Fc1ccc(S)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587140720 JOWGRTHIYUEPLV-UHFFFAOYSA-N 344.358 5.270 0 1 EKAF Cc1cc(Br)c2[nH]c(/C=C\c3ccc(C)c(F)c3)nc2c1 587146214 DFVFOGOBCJCLBY-WAYWQWQTSA-N 345.215 5.252 0 1 EKAF CC[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352515 JVQGXFSOEGVQGA-NQZBTDCJSA-N 342.410 5.085 0 1 EKAF CC(C)Oc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922388 NTNNWNZUOZCICS-UHFFFAOYSA-N 331.387 5.543 0 1 EKAF C/C(=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C1CCCCC1 587969532 YYKFDWHCEBWBKU-YFHOEESVSA-N 326.337 5.704 0 1 EKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2ccc3ccccc3c21 1772652560 WVTLXWYTYRBLHG-QHCPKHFHSA-N 349.449 5.095 0 1 EKAF CCOc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1 1857596170 PJYKVPOJSMOYQH-UHFFFAOYSA-N 349.821 5.115 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)C[C@H](O)[C@@H]12 2356406960 MHVGGXRUWKWUJE-PGPONNFDSA-N 348.527 5.044 0 1 EKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356478196 VNTGXCRNEJTLEX-PZSZKOGDSA-N 343.555 5.085 0 1 EKAF CCCCCCNC(=O)c1cccc(-c2ccc(C)c3ccccc23)n1 8680109 UEHZIHWSMRNNNF-UHFFFAOYSA-N 346.474 5.520 0 3 EKAF COc1ccccc1-c1cc2c(Nc3cccc(F)c3)nccc2n1C 74387083 JXVPPNPWVPVQKQ-UHFFFAOYSA-N 347.393 5.132 0 3 EKAF C[C@H](C(=O)O)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)c(F)c1 13672516 SWCLDFSCLHXNAM-ZDUSSCGKSA-N 336.362 5.053 0 1 EKAF CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 40393481 GGHVSJLGVRNPQI-CQSZACIVSA-N 347.289 5.606 0 1 EKAF O=C(CC1CCCCC1)c1ccc(OC(F)F)c(OC(F)F)c1 40846570 DIBFAFWXUWEHTI-UHFFFAOYSA-N 334.309 5.043 0 1 EKAF CN(c1ccccc1)[C@@H](c1ccccc1)c1cn(C)c2ccccc12 71333613 UEGUIZXFANDJHZ-QHCPKHFHSA-N 326.443 5.404 0 1 EKAF Oc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1 95557899 IMRYINNXHMYATJ-AATRIKPKSA-N 332.186 5.123 0 1 EKAF CN(C)c1ccc([C@H](C[C@H](N=O)c2ccccc2)c2ccccc2)cc1 169730271 YEKDMJNHXWXNCA-PKTZIBPZSA-N 344.458 5.782 0 1 EKAF CC(C)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586992093 UGILIYRQHRPXIR-UHFFFAOYSA-N 331.415 5.399 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cs2)o1 587016204 HWVASLCHIYMZEV-UHFFFAOYSA-N 349.337 5.274 0 1 EKAF CCCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O 587103411 HKKVSGZYKLRQPX-UHFFFAOYSA-N 341.332 5.418 0 1 EKAF Cc1cc(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160973 JOXLQDVMQIFQPR-UONOGXRCSA-N 345.215 5.044 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)F)c2c1 587642763 PZVYKALTYWMWJV-LBPRGKRZSA-N 327.374 5.796 0 1 EKAF Cc1cc(C)n(C[C@@H](C)c2nc(-c3cccc(Cl)c3)cs2)n1 587920867 OWFLIGVBNFVSNC-LLVKDONJSA-N 331.872 5.081 0 1 EKAF Cc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1C 587951179 XHSUBUKDELCOTH-SEYXRHQNSA-N 340.426 6.142 0 1 EKAF Cc1cnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 587957167 HUMCEZYTPQWSFF-UHFFFAOYSA-N 345.487 5.185 0 1 EKAF O=C1C[C@@H](c2ccccc2)Cc2nc3ccccc3c(-c3ccccc3)c21 1772599107 MVMMLSZOHDXGPS-IBGZPJMESA-N 349.433 5.815 0 1 EKAF Cc1ccc2nc(-c3cccs3)c(N[C@@H](C)c3ccccc3)n2c1 1772625002 LSWAAWVXXDMEEL-HNNXBMFYSA-N 333.460 5.544 0 1 EKAF CCCCCC1=C(C=C[C@H](O)CCCCC(=O)O)C[C@@H]2CC=CC[C@H]12 2356306558 GIENRQRTOYZLRR-SXLOBPIMSA-N 346.511 5.412 0 1 EKAF CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356675267 NHYSRKKHKHCRGR-UHFFFAOYSA-N 332.528 6.695 0 1 EKAF CCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941620 XGJBQLUMKAYNAP-ACRUOGEOSA-N 342.914 5.346 0 1 EKAF C[C@@H](c1ccccc1)c1cc2ccccc2nc1SCCN(C)C 26378636 RUFZXULYHPVNAT-INIZCTEOSA-N 336.504 5.040 0 1 EKAF CC[C@@H](C)[C@H](c1cccc(O)c1)[C@H](c1cccc(O)c1)[C@H](C)CC 29407987 ZIXUNTQIAANKPI-AJAKECSLSA-N 326.480 6.057 0 1 EKAF CC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1 71316448 OJZOQHDCXXISRK-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF Clc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1 72124336 VYBFDRKPRDWXQU-UHFFFAOYSA-N 348.258 5.138 0 1 EKAF CCCCCCNc1nc(SCCCCC)nc2ncccc12 72182071 MYBPOCKWCFDGDF-UHFFFAOYSA-N 332.517 5.299 0 1 EKAF Cc1ccccc1Cc1c(NC2CCCC2)c2ccccc2oc1=O 101480675 QVWLYHLUBWHBER-UHFFFAOYSA-N 333.431 5.047 0 1 EKAF COc1ccc(-c2cc3ccccc3nc2C(=O)c2ccccc2)cc1 169312336 LYKWQJZSKOPNPD-UHFFFAOYSA-N 339.394 5.141 0 1 EKAF COc1ccc(-c2c[nH]c3ncc(-c4ccccc4C)cc23)cc1OC 299828228 MAPPGIUFPWIQOB-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)s1 587014229 JNFRHHNGVPRUHX-LBPRGKRZSA-N 343.496 5.390 0 1 EKAF Cc1cncc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072349 ZGJLOUUIDWZDBM-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF Fc1cc(F)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587077185 SPSIYVXVALSFIB-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Clc1cc(Cl)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587085961 QFTVTVZVZWPSHE-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1cc(Cl)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955342 HQBAMQQGGXGVEE-LJQANCHMSA-N 346.861 5.899 0 1 EKAF CSc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961526 LHNRNXCDTLCRCB-UHFFFAOYSA-N 330.456 5.543 0 1 EKAF Cc1cccc(Oc2ccc(C(=O)N(C)c3cccc(C)c3)cc2)c1 653785968 AEHJWBUGBVMBFQ-UHFFFAOYSA-N 331.415 5.372 0 1 EKAF c1ccc(-c2ccc3c(c2)CCN[C@]32CCCCc3ccccc32)cc1 962674826 YXGLHXYJUCRCDC-VWLOTQADSA-N 339.482 5.469 0 1 EKAF Cc1ccc(Cn2cc(CN3CCCCC3)c3cc(C)ccc32)cc1 1857642558 IEVRQNHCANGOFM-UHFFFAOYSA-N 332.491 5.292 0 1 EKAF CC1=C[C@@H]2c3cc(O)c(C)cc3O[C@@]23O[C@@H](C=C3C)CC(C)=CCC1 2356479825 FWAFECHDILCSFU-SFGWALBWSA-N 338.447 5.295 0 1 EKAF Fc1ccc([C@H](Oc2cccc3ccccc23)[C@H]2CCCNC2)cc1 13530796 IPDCCVKJMHCEER-AVRDEDQJSA-N 335.422 5.099 0 1 EKAF Nc1nc2c(s1)Cc1cc(-c3ccc(Cl)c(Cl)c3)ccc1-2 13671336 FIPIHPFIBAXKEC-UHFFFAOYSA-N 333.243 5.270 0 1 EKAF c1ccc(C2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13728601 JHLJHQQFPBTTJE-UHFFFAOYSA-N 332.491 5.370 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 14691405 YHSXZFQEBITFKT-BPNKPRMTSA-N 326.480 6.338 0 1 EKAF C[C@H](NC1=NCCCCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C 39369526 PITQSMWCUJOCHW-INIZCTEOSA-N 340.555 5.831 0 1 EKAF CCC1=C/C=C/[C@@H](CO)[C@]2(C)CCCC[C@]34CC(C)(C)C[C@@]3(C)C1=C24 64513839 FZODMLXLGWSYPA-KILNMMLYSA-N 340.551 6.204 0 1 EKAF CC[C@@H]1CCCCN1c1cc(Oc2ccc3ccccc3c2)ncn1 82067313 NSWAXGXHBWZBFR-GOSISDBHSA-N 333.435 5.191 0 1 EKAF CC1CCN(c2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)CC1 82067466 CJAXHDKCHMGAIX-UHFFFAOYSA-N 345.446 5.172 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)Oc2ccc(C(C)(C)C)cc2)c1 84742414 NIOHQJNSDDFDMZ-UHFFFAOYSA-N 325.452 6.027 0 1 EKAF O=C(O)c1oc2ccccc2c1CCCOc1cccc2ccccc12 95598013 XCFJIAWXXGRBEJ-UHFFFAOYSA-N 346.382 5.296 0 1 EKAF COc1ccc2c(c1)[C@@]13CCC[C@@H](C)[C@H]1[C@@H](C2)N(C=C1CCC1)CC3 101228259 GXHZDJZDYXULJN-PMQPGWGVSA-N 337.507 5.067 0 1 EKAF c1csc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1 299821702 LYAJVDRCCOKEBG-UHFFFAOYSA-N 331.465 6.110 0 1 EKAF COc1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cc1OC 586880014 WRBPBJMVLKPSQS-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF CC(C)Oc1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587033500 JEGUFTSEEDDRQI-GFCCVEGCSA-N 326.465 5.203 0 1 EKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1 587052100 YTPYGEWKXRSAET-UHFFFAOYSA-N 348.233 5.131 0 1 EKAF CCc1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 587067209 YWADCPHUAGSXQZ-UHFFFAOYSA-N 335.838 5.545 0 1 EKAF Fc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1F 587083755 JPBMKOJVQKBEAW-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CCCC[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099953 AYARHBKXAGZPMB-OAHLLOKOSA-N 341.454 5.975 0 1 EKAF Cc1cc(Cl)cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c12 587171102 YOGGCAQWRKFSPY-LLVKDONJSA-N 334.847 5.560 0 1 EKAF C[C@@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(F)(F)F 587210863 XSMJUZPLNSLBQW-GFCCVEGCSA-N 327.349 5.504 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C(C)C)c1C)CC2=O 587469398 DNZBKNKBNRVAJV-FQEVSTJZSA-N 341.451 5.050 0 1 EKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(C3CC3)c12 587633031 WTHKFXRVGBAACH-UHFFFAOYSA-N 330.200 5.614 0 1 EKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2cc(F)ccc12)C(F)F 587634456 ZPBFIMOROCHLKC-UHFFFAOYSA-N 339.316 5.575 0 1 EKAF CCC(CC)(CC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818778 JLQRIACTWYVTJT-ZBEGNZNMSA-N 342.296 5.380 0 1 EKAF Cc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 587949944 OHKXYOITFJJFEK-WYMLVPIESA-N 327.387 5.229 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587954754 FJJSTUJXCNHIJT-UHFFFAOYSA-N 342.442 5.990 0 1 EKAF Fc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587956256 PFAPAXUWUHPTCX-MRXNPFEDSA-N 334.369 5.216 0 1 EKAF CCC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356731064 XTSCVFJBNHHMKD-AXTVOXPPSA-N 332.528 5.129 0 1 EKAF Cc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)o2)c2ccccc12 8680099 FYHQPNZZVXKHJM-UHFFFAOYSA-N 345.373 5.800 0 3 EKAF aggregator Cc1cc(/C=C/c2ccc(C=O)cc2)c2c(C)ccc(C(C)C)cc1-2 26842390 WOJBCHSUQZLEES-ZRDIBKRKSA-N 328.455 6.515 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\[C@H](O)CCCO 28341478 RSVJYGYZYLKTOX-QEKWMURSSA-N 344.539 5.818 0 1 EKAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1cc2ccccc2s1 29127760 INDKAFFKCPLOGO-UHFFFAOYSA-N 345.423 5.526 0 1 EKAF COC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)OCCC(C)C 29316052 FIQLFYWBMZVRQO-NKDKUSEQSA-N 338.532 5.700 0 1 EKAF Clc1ccc([C@@H](Cc2ccccc2)Cn2ccnc2)c(Cl)c1 33493888 XAGGETAZARUMKO-HNNXBMFYSA-N 331.246 5.216 0 1 EKAF CC(=O)O[C@@H](/C=C(\C)CCC=C(C)C)C/C(C)=C/CC/C(C)=C/CO 40402300 LDGUVHWDRNJSCF-NOCSFPBJSA-N 348.527 5.666 0 1 EKAF CC(C)(C)c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1 66111804 SEURAVYEJIWUDB-UHFFFAOYSA-N 344.502 5.147 0 1 EKAF CCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21 95562332 RGGYZVGAMKFQSH-UHFFFAOYSA-N 347.845 6.089 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 96271878 WTJUBXLYTGHLNL-JSIIKIRASA-N 349.518 5.255 0 1 EKAF O[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247410 RGSFRNAPJDYGIT-FHOPOIAVSA-N 337.438 5.088 0 1 EKAF O=C(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O 169323592 NMBIEDDOWOHSHI-UHFFFAOYSA-N 332.186 5.105 0 1 EKAF O=Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)o1 587215324 FSUPYPLZJWVGPI-UHFFFAOYSA-N 325.367 5.073 0 1 EKAF CCc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587244942 SGWMSJRWAZITPD-UHFFFAOYSA-N 341.414 5.045 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1SC(C)(C)C)O2 587409942 OIOSLDYZUWLSAD-KRWDZBQOSA-N 341.476 5.174 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587501537 BFRYUMZMPOGQBS-SFHVURJKSA-N 347.241 5.579 0 1 EKAF Cc1c(F)ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c12 587508513 YZGXYDUHJVFSGB-FQEVSTJZSA-N 349.405 5.201 0 1 EKAF O=C1C[C@@H](c2cc3ccccc3s2)Oc2c1ccc1c2CCCC1 587536378 VNVFUYDCYBJGHT-SFHVURJKSA-N 334.440 5.487 0 1 EKAF Cc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Cl 587566005 PBZCGWVAYWNFCM-UHFFFAOYSA-N 344.842 5.139 0 1 EKAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628770 PGVRUARHQSOYDM-UHFFFAOYSA-N 338.165 5.067 0 1 EKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633922 OULRVBIQJQDKDD-UHFFFAOYSA-N 337.316 5.825 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)cnc3Cl)c2c1 587640688 IKPFVLMVGCDDIA-SNVBAGLBSA-N 333.262 6.359 0 1 EKAF CCCCC/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817975 FUEKPLYKASFDHD-ZXCURVTESA-N 340.280 5.300 0 1 EKAF O=C(CCCCN1CCCCCC1)n1c2ccccc2c2ccccc21 653713037 PTYMSVFQSWOEER-UHFFFAOYSA-N 348.490 5.481 0 1 EKAF CC(=O)O[C@H]1C(C(C)C)=CC=C(C)CCC=C(C)CCC=C(C)[C@H]1O 2356498811 JSCFEQUPOIVPOF-YADHBBJMSA-N 346.511 5.274 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(OC=C(C)CCC=C(C)C)cc1O 2356501256 SKTDZBVNXYOMFX-HNNXBMFYSA-N 332.440 5.356 0 1 EKAF C[C@@H](Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 8860582 KQYCMTHDFZXIDG-QGZVFWFLSA-N 340.426 6.182 0 1 EKAF CC/C(C)=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13490433 WLEYQRHXERCYNY-XKZIYDEJSA-N 349.449 6.634 0 1 EKAF CC1(C)[C@H]2CC[C@]1(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)C2 13517927 XLXBFPDBOJGPBC-GAJHUEQPSA-N 334.459 5.746 0 1 EKAF COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 13762337 CPEOJTVXNBACKS-UHFFFAOYSA-N 340.426 5.523 0 1 EKAF CC1(C)[C@@H]2CC[C@]3(C)Oc4ccc5c([nH]c6ccc(C=O)cc65)c4[C@@H]1[C@@H]23 14611196 HRQRFLWDLQJEKQ-FRFQIPGTSA-N 345.442 5.434 0 1 EKAF biogenic CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCC2CCCC2)CC1 27405885 OFYLQLHUQGLKBY-UHFFFAOYSA-N 349.946 5.372 0 1 EKAF C/C=C(\c1ccccc1O[C@H](C)c1cccc(Cl)c1)n1ccnc1 28764674 BOLHNCIMSMWFJJ-WTBRLYPISA-N 338.838 5.586 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@@H]2c2ccc3c(c2)[C@H]2CC[C@@H]3C2)cc1 29320792 JXPKDVUVFSQUEH-XKPGHWPRSA-N 332.443 5.499 0 1 EKAF CCCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40918107 SFCPSRYEQYHJEI-UHFFFAOYSA-N 345.442 5.909 0 1 EKAF CC(C)(C)[C@H](C(=O)Nc1ncc(Cl)s1)c1ccc(Cl)cc1 45392851 BGHIUGMVXLYQHX-LBPRGKRZSA-N 343.279 5.218 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccc(N)c1)N2 49014727 TVQLHXWTNLBPNJ-YYWHXJBOSA-N 336.479 5.201 0 1 EKAF NC[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1 72114438 ABMWLOGCDSAWPT-HXUWFJFHSA-N 339.891 5.582 0 1 EKAF Cn1ncc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21 140557603 RYJMOMWVULKBHW-UHFFFAOYSA-N 346.434 5.126 0 1 EKAF Cc1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Br 586881788 VVXYRQDXOYGKJN-UHFFFAOYSA-N 341.252 5.568 0 1 EKAF c1coc(-c2nc(Cc3nc4cc5ccccc5cc4[nH]3)cs2)c1 587018343 ZXELJKNIHZAFCH-UHFFFAOYSA-N 331.400 5.023 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1C 587084278 WMBVNUIGVOJRKD-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF COc1ccc2cc(-c3cc4c5c(cccc5n3)CC4)ccc2c1Cl 587209803 XZWNWEGSZGEGEI-UHFFFAOYSA-N 345.829 5.816 0 1 EKAF CC(C)=CCC/C(C)=C\CC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402238 AUHIRYHNIGJPCG-RSAMLISRSA-N 341.495 5.774 0 1 EKAF CC(C)(C)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521574 CURJITDSMORDHG-OAQYLSRUSA-N 334.459 5.569 0 1 EKAF Cc1cc(Cl)cc2c(OCc3ccccc3)c(C(F)(F)F)[nH]c12 587624445 MIKDUWRAZGBELG-UHFFFAOYSA-N 339.744 5.728 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccco3)c2c1 587641601 NKJZUHFKMKMLAF-JTQLQIEISA-N 335.325 5.524 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(OC(C)C)nc3)n2)cc1 587924798 JVZRQSOJFLBFCW-UHFFFAOYSA-N 342.489 5.381 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587951615 HSRSPCHURHJXPL-MMPTUQATSA-N 341.282 5.916 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587954618 BYJGPCITYCXYEP-UHFFFAOYSA-N 334.341 5.096 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587970011 XMVUVDDOLUPPHZ-SDNWHVSQSA-N 326.443 6.184 0 1 EKAF COc1ccc(C(=O)CCc2ccccc2)c(OC)c1CC=C(C)C 2356523600 XUZVWVRBYYSCTP-UHFFFAOYSA-N 338.447 5.028 0 1 EKAF CC1(C)[C@H]2CC[C@@H]3n4c(cc5ccccc54)C[C@]3(C)[C@]2(C)CC[C@H]1O 2356543342 LXDQTTNJDBZTFG-PMNYKWLYSA-N 337.507 5.342 0 1 EKAF CC(=CC=C[C@H](C)C(=O)O)C1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356804726 ZKLBXGLVQXCIRO-NJNPRVFISA-N 330.512 6.153 0 1 EKAF CCCCCC=CCC=CCCC[C@@H]1CC(=O)[C@H]2CCCC[C@H]2N1C 2356856692 SCTYQWLAJFDWLI-BHIFYINESA-N 345.571 6.072 0 1 EKAF CCc1cn(-c2ccc(F)cc2C)c2c1cnc1c(OC)cccc12 8609 FFOQRXWLIHIUFX-UHFFFAOYSA-N 334.394 5.197 0 1 EKAF CN(Cc1ccccc1)c1cc(Oc2cccc3ccccc23)ncn1 82067485 LJGSLNWUYIQMBI-UHFFFAOYSA-N 341.414 5.059 0 1 EKAF Oc1ccc(-c2c(-c3cc(O)cc(O)c3)sc3ccccc23)cc1 95554703 FGKRQGYGMVHADC-UHFFFAOYSA-N 334.396 5.352 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2C1 95570996 NURLUZSESLQRGG-UONOGXRCSA-N 336.866 5.964 0 1 EKAF CCS[C@H]1SC(c2ccccc2)(c2ccccc2)c2ccccc21 96903417 KQGRJLLVBPJGTK-NRFANRHFSA-N 348.536 6.477 0 1 EKAF c1ccc2c(-c3nc(CN4CC[C@@H]5CCCC[C@H]5C4)co3)cccc2c1 195316753 PWVISLDROKLOPJ-HKUYNNGSSA-N 346.474 5.507 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1cccs1)CC2=O 587493352 GEHHZOXYUNPQKB-HXUWFJFHSA-N 344.476 5.313 0 1 EKAF CC[C@H](C)Oc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1Cl 963024505 NPTDRKKFZAGQLS-VOJFVSQTSA-N 349.927 5.431 0 1 EKAF Clc1ccc(-c2cc(-c3ccoc3)c3oc4ccccc4c3n2)cc1 1772586066 MJGBHCIICGDPFQ-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF CC(=O)O[C@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)C[C@@]2(C)O 2356730768 GXXLLEDKYVEOQW-CLAROIROSA-N 348.527 5.332 0 1 EKAF CCCCC(=O)OCc1c(-c2cccc(OC)c2)ncc2ccccc12 36388750 CAIVXALEIOPZEM-UHFFFAOYSA-N 349.430 5.144 0 3 EKAF CC1=CC(C)(C)N(C)c2cc3nc(Cl)cc(C(F)(F)F)c3cc21 27411497 LZSOTBPUPCYYJR-UHFFFAOYSA-N 340.776 5.539 0 1 EKAF CCCCCn1c(C)c(C(=O)Cc2cccc(OC)c2)c2ccccc21 28460348 QZLRCHSRCYFMFK-UHFFFAOYSA-N 349.474 5.574 0 1 EKAF in-vivo CC(=O)O[C@@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\C)C1)CC[C@@]2(O)C(C)C 38317997 WHLNVYDYKOZJJL-KBTRKBTHSA-N 348.527 5.188 0 1 EKAF c1ccc(Nc2ccc([C@@H](c3ccccc3)n3ccnc3)cc2)cc1 40393810 YHEUXBRFAKWNKQ-JOCHJYFZSA-N 325.415 5.264 0 1 EKAF Clc1ccc(-c2coc(-c3cccc(Oc4ccccc4)c3)n2)cc1 43025310 RTBWFFWXTSDILS-UHFFFAOYSA-N 347.801 6.454 0 1 EKAF Cc1cccc2c1cc1n2-c2ccccc2N[C@H]1c1ccc(O)cc1 71341012 QOZLHKCUCCTRFB-QFIPXVFZSA-N 326.399 5.159 0 1 EKAF Cc1ccc(N(C)Cc2coc(-c3cccc4ccccc34)n2)cc1 72182408 PAIFPCMZEINHME-UHFFFAOYSA-N 328.415 5.440 0 1 EKAF CCCCC[C@H](O)CC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1 73197155 MIZCMCLDFGJDHS-SFHVURJKSA-N 348.527 5.472 0 1 EKAF O=c1oc(-c2ccccc2)c(-c2ccccc2)c2sc3c(c12)CCC3 84653152 GDQDWFIHHLXJOZ-UHFFFAOYSA-N 344.435 5.677 0 1 EKAF COc1cc(Cl)ccc1C(=S)Nc1cccc(C(F)(F)F)c1 84733022 QEVKSJIOMXADDO-UHFFFAOYSA-N 345.773 5.155 0 1 EKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 115346325 FMPUWHUXNOPVQS-ZJOUEHCJSA-N 341.882 5.071 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(C)CC3)ncc2c1 169699922 ZZCCBBCFWAISIJ-UHFFFAOYSA-N 334.394 5.088 0 1 EKAF COc1cc(C)c2c(c1)CC[C@](C)(CC/C=C(/C)CCC=C(C)C)O2 238757591 ZEHCEKRAEHFZNS-RXATWSHQSA-N 342.523 6.560 0 1 EKAF CC/C=C/C/C=C/C/C=C\C/C=C\CC/C=C\CCCC(=O)OC 238785513 RRPJCVGNLPATGI-HRWXUQBHSA-N 330.512 6.471 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3ccc(Cl)c(C)c3)cs2)c1 473084207 FWVOMQPMIRAXQP-UHFFFAOYSA-N 346.908 5.659 0 1 EKAF CCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350012 DBDLQZKYXBUMQR-CTNGQTDRSA-N 342.410 5.229 0 1 EKAF CC(C)(C)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534024 AHQCTBVGPFNHAQ-MRXNPFEDSA-N 341.476 5.026 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 587536663 YYDKXIVKZZTLNS-IBGZPJMESA-N 348.467 5.795 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)F)c2c1 587643903 YNZVYJFRWXXYSA-JTQLQIEISA-N 333.403 5.858 0 1 EKAF Cc1cncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783460 BKFABFUBTJWBLQ-FMIVXFBMSA-N 341.414 5.016 0 1 EKAF Fc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784689 UQLSWIYVFKPQTR-JYRVWZFOSA-N 344.389 5.451 0 1 EKAF CCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811739 GYUDUFDEYHINLI-YVEFUNNKSA-N 342.296 5.308 0 1 EKAF Clc1cccc(-c2csc(-c3c(Cl)cccc3Cl)n2)c1 587921442 XNOFQHKQQOCCOF-UHFFFAOYSA-N 340.662 6.437 0 1 EKAF Fc1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1 587923245 XQOMYJBOFBMPID-UHFFFAOYSA-N 347.414 6.409 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587951001 HXCYIEIKDZPJSK-HNNXBMFYSA-N 344.458 6.154 0 1 EKAF CCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653763880 ROHWSMWWNVHMEH-OAQYLSRUSA-N 343.474 5.504 0 1 EKAF C[C@@H](O)C=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356413712 IXAMNXQQWDOFMN-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF CCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC 26979995 DRWUCXQPGUYPKG-UHFFFAOYSA-N 344.325 5.035 0 1 EKAF CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)c1)c1ccccc1 38317989 PZCTXAXFFNZQQI-HXUWFJFHSA-N 348.446 5.416 0 1 EKAF COc1cc2c(c(OC)c1)[C@H](C)N(c1cccc3ccccc13)[C@H](C)C2 40934187 HWSHIXIKQKOUBE-CVEARBPZSA-N 347.458 5.369 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)O[C@H](C)[C@@H]2C 58502014 RWJYFOPTQIOOKN-BXTJHSDWSA-N 333.475 5.103 0 1 EKAF Cc1ccc(SCc2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1 586965142 RLJNJSYJNRBTFM-UHFFFAOYSA-N 326.465 5.259 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3CC3(Cl)Cl)nc3cccc1c23 587103788 LLAFMLWQEKTJDU-AWEZNQCLSA-N 340.209 5.107 0 1 EKAF CCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350018 DBDLQZKYXBUMQR-FPOVZHCZSA-N 342.410 5.229 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@@H]3C2)c1 587366200 JUYHNKQFTGQVKL-CABCVRRESA-N 341.410 6.021 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CCCC[C@H]3C1)CC2=O 587478284 FOBRGSJOKUVFPV-GXZWQRSESA-N 328.452 5.039 0 1 EKAF CCCc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 587493446 HNIWXGHNFSGPOI-HXUWFJFHSA-N 344.476 5.239 0 1 EKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638393 KLGYLNHLHRYNOG-UHFFFAOYSA-N 348.229 5.792 0 1 EKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)c(C)c2[nH]1 587926687 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342.564 6.330 0 1 EKAF CCCC(=O)OC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 2356797729 OJFZHKQTMZVLDW-UHFFFAOYSA-N 332.403 5.082 0 1 EKAF CCc1cc2c(nc1CC)CCCN2Cc1ccccc1C(F)(F)F 199726684 PNZKIWCSLAALLM-UHFFFAOYSA-N 348.412 5.178 0 3 EKAF COC(=O)[C@H]1CCCCCCCCCCC12SCCCS2 1642112 VZODJMCAGIPYGN-OAHLLOKOSA-N 330.559 5.257 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(CC(=O)O)c2c1 3746065 WUFWFXNODJTLMC-GFCCVEGCSA-N 325.383 5.115 0 1 EKAF CC(=O)OC/C=C(\C)CCC[C@H](C)CC[C@H]1[C@@H](C)CCCC1(C)C 13384104 UMBAAYHFKZFIKK-RYVHGODHSA-N 336.560 6.545 0 1 EKAF CCc1ccc([C@H](CC)[C@@H](CC)c2ccc(CC)c(O)c2)cc1O 27655833 XPIVKAOXXQLXRY-PMACEKPBSA-N 326.480 5.910 0 1 EKAF Cc1ccc(Oc2cccc(/C=C3/SC(=S)N=C3O)c2)cc1 28703295 GFGRQMVPYKSSOI-XNTDXEJSSA-N 327.430 5.116 0 1 EKAF CCCCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2C 28955678 OTZPRHFXLZVDOV-JOCHJYFZSA-N 347.458 5.124 0 1 EKAF Nc1ccc2nccc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 29346882 QKUQWQYTQTZYIU-UHFFFAOYSA-N 347.462 5.520 0 1 EKAF CCc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 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348.439 5.065 0 1 EKAF Cc1cc(C)c2sc(NC(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)nc2c1 1857771815 XGDFSTRJWJEPKI-TZMCWYRMSA-N 330.497 5.314 0 1 EKAF CC(=O)O[C@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)OC2(C)C 2356555004 FPHDVZHOKLNUJI-RZUBCFFCSA-N 348.527 5.739 0 1 EKAF Cc1ccc(Cc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)cc1 61921473 PRKHZQILLNSTJA-UHFFFAOYSA-N 330.406 5.348 0 3 EKAF C[C@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1 13672524 BFUWIUJNCVHEMS-VIFPVBQESA-N 328.717 5.214 0 1 EKAF Cc1cc(C)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1 35654122 KTZNKEGRXDKARH-UHFFFAOYSA-N 337.426 5.489 0 1 EKAF Cc1cc(Cl)ccc1N(Cc1ccccc1)c1ccnc(Cl)n1 45189205 GBESJWHGTNKKMX-UHFFFAOYSA-N 344.245 5.430 0 1 EKAF COc1cc2c(cc1[C@@H](C)N[C@@H](C)c1ccccc1)C=CC(C)(C)O2 96932069 WUOFAOLDOMTPHF-JKSUJKDBSA-N 337.463 5.291 0 1 EKAF CC(C)(O)CCCCc1ccc(CC[C@]2(C)CC[C@@H](O)CC2)cc1 100828933 ACLUTGGMNKIXIY-GRGXKFILSA-N 332.528 5.044 0 1 EKAF C/C1=C/[C@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CC/C(C)=C\CC1 169334039 IZTPZZVRYDCHRL-PDCYTRADSA-N 342.479 5.656 0 1 EKAF c1ccc(CCCCN2[C@H]3CCC[C@H]2c2c([nH]c4ccccc24)C3)cc1 195182599 OPUKVGUEIVRYRA-CVDCTZTESA-N 344.502 5.643 0 1 EKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)s1 206843856 KRDHFLLXTGXJKE-FQEVSTJZSA-N 348.471 5.077 0 1 EKAF O=[P@@]1(c2ccccc2)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1 299814923 YSMZAYVFDLZNBM-ACHVPNTGSA-N 332.383 5.951 0 1 EKAF C[C@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299822899 PVSHHPHKLAOXAY-GOSISDBHSA-N 346.835 5.064 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586882084 SVRLKHPOXLRDLE-UHFFFAOYSA-N 334.250 5.619 0 1 EKAF Cc1c(Br)ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885878 XIVQBNYVSYSICF-PAKFGRKTSA-N 345.284 5.102 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586963148 LAIIUYBQSPBMGM-SNVBAGLBSA-N 337.275 5.864 0 1 EKAF C[C@H](c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1C(F)(F)F 587098202 OIOGQOIXBWWVSG-QMMMGPOBSA-N 326.268 5.012 0 1 EKAF Cc1c([C@H](C)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587107919 XKAVKXYWWAAMOA-OAHLLOKOSA-N 349.433 5.906 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587235875 RLVOORCWWCZPLL-UHFFFAOYSA-N 335.357 5.217 0 1 EKAF Cc1oc(-c2ccccc2)nc1C(=O)c1coc2ccc(Cl)cc12 587279031 UQVLBRBKRRUCEH-UHFFFAOYSA-N 337.762 5.281 0 1 EKAF c1ccc(Cc2ccc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587360730 PGDSGULFZOZMKH-UHFFFAOYSA-N 327.452 5.653 0 1 EKAF COc1cccc(-c2cc(C(F)(F)F)nc3c2oc2ccccc23)c1 587360959 WAJXMKYHQPIUNH-UHFFFAOYSA-N 343.304 5.675 0 1 EKAF O=C1C[C@H](c2ccc(F)c3ccoc23)Oc2c1ccc1c2CCCC1 587506629 LAUASJRRHCXQMN-LJQANCHMSA-N 336.362 5.157 0 1 EKAF Cc1ccccc1[C@@H]1C[C@H]1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523274 KORSRTNGRYJCEJ-IMSXRSKXSA-N 346.470 5.401 0 1 EKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629675 WVJYGBOKEDCECE-UHFFFAOYSA-N 341.691 5.214 0 1 EKAF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587630138 UVPSWVJRAUMFIC-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF CC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959220 MXRQXWYQBNRATH-UHFFFAOYSA-N 326.399 5.023 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3c(C)ccc(C)c3[nH]2)cc1 587959808 QKFQPOXDTITSIM-UHFFFAOYSA-N 326.443 5.746 0 1 EKAF CCCCCSc1ccc2nc(NC(=O)OCCC)sc2c1 1857769375 UEOFLOXLGYPBMS-UHFFFAOYSA-N 338.498 5.537 0 1 EKAF CCCCC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356519330 WSNNRICCQOXNBM-LNQCWKBBSA-N 334.544 5.065 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356620055 CZUWIMDOXXXJRE-NXLVEIQXSA-N 348.527 5.046 0 1 EKAF O[C@@H](c1cccc(Cl)c1)c1nc(/C=C/c2ccccc2)cs1 61904012 ONLHSNZXEUVTAC-FVNWOWOISA-N 327.836 5.049 0 3 EKAF CCCC1CCC2(CCCN2CCOC(=O)Nc2ccccc2)CC1 205709670 GPYOKHLBKNSXSF-UHFFFAOYSA-N 344.499 5.060 0 3 EKAF CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C 13826395 UCRABRKSDLESNY-UHFFFAOYSA-N 326.465 5.158 0 1 EKAF C[C@@H](Cc1ccccc1)NCCC(C1CCCCC1)C1CCCCC1 27753496 SPLCQVKXJWNDFG-FQEVSTJZSA-N 341.583 6.374 0 1 EKAF C/C=C(/c1ccccc1O[C@@H](C)c1cccc(Cl)c1)n1ccnc1 28764672 BOLHNCIMSMWFJJ-JISPJJBOSA-N 338.838 5.586 0 1 EKAF C/C(=C\CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1)C/C=C\C(C)(C)O 38894263 HNSJSAWPTOJTEL-MOAHZESKSA-N 342.479 5.309 0 1 EKAF biogenic,in-vitro Cc1ccc(-c2nc(CN[C@H](C)c3cccc4ccccc34)co2)cc1 72185706 HTRLVBDFOIPSMC-QGZVFWFLSA-N 342.442 5.654 0 1 EKAF CCOc1ccc(-c2cc(N[C@@H](C)c3ccc(C)cc3)ncn2)cc1 82162247 WOFODNPAICPTOS-INIZCTEOSA-N 333.435 5.024 0 1 EKAF CC(C)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O 95589084 BZUWQISDPPBBPF-VQIMIIECSA-N 339.479 5.047 0 1 EKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3[C@@H]1CC=CCC1 103945465 WUTIMTDELQMQQE-QVKFZJNVSA-N 344.458 6.065 0 1 EKAF FC(F)(F)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587025143 DVTKNECDNYFPKG-UHFFFAOYSA-N 328.384 5.077 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Cl)ccc2[nH]1 587066612 OMDIRWMURPCCBV-UHFFFAOYSA-N 342.229 5.636 0 1 EKAF Cc1cc(Cl)cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c12 587098020 OONXPKCVMZECRY-JTQLQIEISA-N 338.760 5.695 0 1 EKAF CSc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175515 VCKAJMWEPQYYQQ-UHFFFAOYSA-N 331.803 5.226 0 1 EKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587408269 AAFSWLUBBHGUBK-SFHVURJKSA-N 349.455 5.321 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C1CCCCC1)(C1CC1)CC2=O 587487626 FUSNVZCFQIPIEK-OAQYLSRUSA-N 328.452 5.039 0 1 EKAF CCCC[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516617 YQIDGCLJQGZLFG-JOCHJYFZSA-N 335.447 5.011 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3F)c(C)c2c1 587642173 QBGFRNBSPUJBAI-NSHDSACASA-N 349.371 6.815 0 1 EKAF CC[C@H](C)c1ccc([C@@]2(CC)NCCc3ccc(F)c(C)c32)cc1 962091091 LFICICWAYYZKFA-OYHNWAKOSA-N 325.471 5.447 0 1 EKAF Cc1c(F)ccc2c1[C@](c1ccc3c(c1)CCC3)(C(C)(C)C)NCC2 962369869 BOEHPYGTJZSWLE-HSZRJFAPSA-N 337.482 5.058 0 1 EKAF CC[C@@]1(c2ccc(O)cc2C)NCCc2cccc(-c3ccccc3)c21 962662565 DVZFTLLFRAQENY-DEOSSOPVSA-N 343.470 5.167 0 1 EKAF CC[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1 1857637145 XMUNXIMVVHMCPT-IGDKPHCXSA-N 342.552 5.358 0 1 EKAF COc1cc(C)c(CC=C(C)CCC=C(C)C)c(O)c1CC=C(C)C 2356406788 GVAKGCSJYZTJHE-UHFFFAOYSA-N 342.523 6.453 0 1 EKAF O=C(C[C@H](C(=O)c1cccs1)c1ccsc1)c1ccsc1 6513112 UJIZUKHHTVTWMC-ZDUSSCGKSA-N 332.471 5.111 0 1 EKAF C[C@H](C(=O)c1ccccc1)c1nc(-c2ccccn2)cc2ccccc12 13781349 QOURHYLLJOLGLV-INIZCTEOSA-N 338.410 5.283 0 1 EKAF c1ccc(Nc2nc3ccccc3c3[nH]c(-c4ccccc4)nc23)cc1 13821066 XRWFRBRBWHEKNY-UHFFFAOYSA-N 336.398 5.522 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H]1CCC(=O)O1 14887847 WCLSJZFZJIIXNP-HBUOOPIGSA-N 326.480 6.000 0 1 EKAF CC(C)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3Cl)oc2c1 71316834 GDCWMJWWRYTXNY-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF CC(C)Oc1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894723 RZVZXDGGVDEYDI-UHFFFAOYSA-N 346.515 5.396 0 1 EKAF CC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050525 PGPAGDLJVJKRPN-NEPJUHHUSA-N 345.229 5.343 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 587067998 VRWZSKYRUNNYHZ-CYBMUJFWSA-N 340.854 5.544 0 1 EKAF FC(F)(F)c1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Cl 587069433 KUKNWVNVXNFOKO-UHFFFAOYSA-N 331.124 5.556 0 1 EKAF Clc1ccc(CN2CCC[C@H]2c2nc3cccc(Cl)c3[nH]2)cc1 587073774 MOPRTXHWWPPCLH-INIZCTEOSA-N 346.261 5.207 0 1 EKAF Cc1cc(C)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587075495 FPYCBLNCEGPIDE-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF FC(F)(F)c1cc(Cc2nc3ccccc3[nH]2)cc(C(F)(F)F)c1 587109711 JBTNLTMVGLFSFJ-UHFFFAOYSA-N 344.258 5.191 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242453 TZAJWHJCUNRWBY-UHFFFAOYSA-N 349.821 5.641 0 1 EKAF CCCc1ccc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404288 WGYNRGIPOXUHPI-QFIPXVFZSA-N 337.463 5.046 0 1 EKAF Oc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783545 CBHGBQQRJTVWCP-MDWZMJQESA-N 342.398 5.018 0 1 EKAF Cc1ccc(Cl)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1F 963103907 OKFGXCOOZKYRLQ-LIRRHRJNSA-N 333.809 5.037 0 1 EKAF CC(C)[C@@H]1C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963114151 WYVKXFVLJFNYGA-OXJNMPFZSA-N 346.301 5.526 0 1 EKAF COc1cc(O)cc(C=C2[C@H](C)CC[C@H]3C(C)(C)CCC[C@@]23C)c1O 2356583875 LDISHKNDKIDRQP-LNHNDHHWSA-N 344.495 5.752 0 1 EKAF Clc1cccc2nc3c(c(NCc4cccs4)c12)CCCCC3 13864106 AEVKUCQAIHQSCM-UHFFFAOYSA-N 342.895 5.831 0 1 EKAF CC(C)(CCCC/C=C(\c1cccnc1)c1cccs1)C(=O)O 26744450 OIDZFKHFAZUXHF-CXUHLZMHSA-N 329.465 5.246 0 1 EKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCC(=O)O 59206808 MBMBGCFOFBJSGT-CHRIZAQASA-N 328.496 6.549 0 1 EKAF in-vitro c1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@H](C2)S3)cc1 66259793 BNMCKPDOHSHTAN-UTKZUKDTSA-N 345.467 5.920 0 1 EKAF CC/C=C\C/C=C/C/C=C\C/C=C\CC/C=C\CCCC(=O)OC 238785510 RRPJCVGNLPATGI-DPZIXHENSA-N 330.512 6.471 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(CC2CCCCC2)s1 299858198 DIPHVRPXEZBANP-UHFFFAOYSA-N 334.529 5.565 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048467 HTEHFSSBSJUZBX-NXEZZACHSA-N 335.209 5.588 0 1 EKAF C[C@H]1CC(C)(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206661 GEZCYYZMTSJUCR-ZDUSSCGKSA-N 327.427 5.522 0 1 EKAF CCCCCCC1(CCCCCC)CC(=O)c2cc(C)cc(N)c2O1 587403147 KEBGSIJZKKBITF-UHFFFAOYSA-N 345.527 6.222 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cc1cccc(C(F)(F)F)c1 587630123 SZZVPZVKRJREHE-UHFFFAOYSA-N 341.735 5.878 0 1 EKAF COc1ccc(OCc2nc(-c3cccc(Cl)c3)cs2)cc1 587921362 UZNKYNMTBXGCTE-UHFFFAOYSA-N 331.824 5.051 0 1 EKAF CC/C(=C\c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(C)cc1 587967968 QOILEZNHGHRRGY-DHZHZOJOSA-N 332.234 5.524 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC=C(C)CCC=C1C)CC[C@]2(O)C(C)C 2356550777 LCCFAMBWEWEJKL-YSFYHYPLSA-N 348.527 5.188 0 1 EKAF CCC=CCC=CC[C@@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356604555 ZNEBXONKCYFJAF-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(NC=O)ccc1O 2356796269 NAVRWCCAZBUSNJ-JJCGOBCMSA-N 341.495 5.302 0 1 EKAF CN(CCc1ccccc1)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13557311 FVMDCJNCPHANNG-ILBGXUMGSA-N 341.498 5.308 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](C)Oc1ccc(Cl)cc1-3 13796827 IDGIKWDCKXJAES-LBPRGKRZSA-N 325.839 6.068 0 1 EKAF Cn1c(-c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1Cl 29043426 BGABPGXVDIOIGI-UHFFFAOYSA-N 338.625 5.109 0 1 EKAF CC(C)CSc1cc(SCC(C)C)nc(SCC(C)C)n1 40424380 LFOJKMYMKNNMCC-UHFFFAOYSA-N 344.615 5.721 0 1 EKAF CN(Cc1ccccc1)C12C[C@@H]3CC(C)(C[C@@H](C1)c1ccccc13)C2 102918043 PBUVIMNDEIWRGJ-CSKPTYFESA-N 331.503 5.722 0 1 EKAF CC(C)c1ccc2c(C(C)C)cc(C(C)C)c(S(=O)(=O)O)c2c1 169305366 YYULUYUZVZOOKX-UHFFFAOYSA-N 334.481 5.457 0 1 EKAF Cc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1C 587051687 SNUULSVZLMZKAF-UHFFFAOYSA-N 341.842 5.095 0 1 EKAF O=C1CC(C2CCCC2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587520843 BBPCNQZYXCVEGN-UHFFFAOYSA-N 338.491 5.650 0 1 EKAF O=C1C[C@H](c2ccc(C3CCC3)cc2)Oc2c1ccc1c2CCCC1 587523476 JDRILZAFXZKNED-JOCHJYFZSA-N 332.443 5.539 0 1 EKAF Cc1ccc2ncccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524123 JFGUKHYATCMPTE-OAQYLSRUSA-N 343.426 5.129 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)c(OC)c(F)c3)c(C)c2c1 587643152 RYNKCRBDUZQAAP-NSHDSACASA-N 329.390 5.944 0 1 EKAF CCC(C)(C)[C@@]1(c2ccc(C)cc2)NCCc2cc(Cl)ccc21 963390628 LRYZXQVPVGLHIG-NRFANRHFSA-N 327.899 5.474 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@@](C)(CO)CCC[C@]12C 2356536512 MCTLHBSXZUSYKL-YPAWHYETSA-N 348.527 5.191 0 1 EKAF CCCc1c(OCC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O 3648759 MUZJGRQOUCTDTF-UHFFFAOYSA-N 333.859 5.093 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1 3746099 ZKTVNDBEGSYEFM-LLVKDONJSA-N 343.373 5.254 0 1 EKAF COc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12 13809529 JZVBIJQWQCXGGZ-UHFFFAOYSA-N 347.370 5.110 0 1 EKAF CCCCOc1ccc([C@H](CCCC(=O)O)c2ccccc2)cc1 14978914 HTVPLQMOVLZBMT-HXUWFJFHSA-N 326.436 5.252 0 1 EKAF CO[C@H]1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27075107 DEHOTNIOLAUDNF-IBGZPJMESA-N 325.383 5.138 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@@H]14 84757305 UGGAILYEBCSZIV-VCTHZUDLSA-N 342.479 5.146 0 1 EKAF in-man C[C@@H](SCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963149 LBVIWUWREWLNNX-SECBINFHSA-N 338.263 5.259 0 1 EKAF C[C@H]1CCc2sc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2C1 587034665 XKOIXNMLCFHSMT-NSHDSACASA-N 325.481 5.109 0 1 EKAF CCOC1=Cc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587097811 ODEIGAIOTGVLCU-UHFFFAOYSA-N 341.410 5.078 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C1CC1)CC4)-c1ccccc1C2=O 587101773 VUTLEDNDRQMILW-AWEZNQCLSA-N 325.411 5.194 0 1 EKAF CSc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131429 HHDRQPSBQRNWJW-UHFFFAOYSA-N 330.403 5.166 0 1 EKAF CC(C)Oc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174012 BUNYTNIQJDYQHK-UHFFFAOYSA-N 343.789 5.291 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2c1 587242141 NSIRBOIWYGAYHP-UHFFFAOYSA-N 335.451 5.221 0 1 EKAF COc1cccc(-c2c([C@H]3CCOC3)cnc3c2oc2ccccc23)c1 587366434 PHUFRZHLAPRTAN-HNNXBMFYSA-N 345.398 5.161 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC1CC1)(c1ccccc1)CC2=O 587490761 URNRZKGMJAJKEP-JOCHJYFZSA-N 336.431 5.006 0 1 EKAF Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628031 FPMURNOBWPTALY-UHFFFAOYSA-N 342.628 6.166 0 1 EKAF O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCc2ccccc21 1857634874 CAVBMFHSZMDUGX-UHFFFAOYSA-N 337.806 5.193 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=CCO 2356634848 PDJCFUBZSXJGDN-LNRXMEIDSA-N 348.527 5.047 0 1 EKAF CC(=O)O[C@@H]1CC(C)=C(CCC(C)=CCO)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356756371 XEOIHOKVTGDPKG-KCZVDYSFSA-N 348.527 5.190 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCC 4822119 CGSXOJMKHVTTHQ-GKFVBPDJSA-N 332.572 7.559 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@H](C(C)(C)O)[C@@H]2C1 13412616 VAFPWCIGDGFJNB-QQMNAOGKSA-N 349.474 5.435 0 1 EKAF endogenous,in-man COc1ccc2c(c1)CCN(C)[C@H]2c1sc2ccccc2c1Cl 144696780 MWOWXXKUSVQERK-GOSISDBHSA-N 343.879 5.141 0 1 EKAF CC(C)=CCC/C(C)=C/CNC(=O)Oc1ccc(C(C)(C)C)cc1 299823728 TYRMKVOQKALZJB-SAPNQHFASA-N 329.484 5.765 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(C)cc(C)c4[nH]3)c(C)s2)cc1 587013495 YHVJPUCLAMJXFG-UHFFFAOYSA-N 333.460 5.587 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083326 OPGZQUPZAQAAAP-UHFFFAOYSA-N 346.192 5.532 0 1 EKAF Cc1cc(C)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587149837 NBEGMVODNOCRSO-OAQYLSRUSA-N 345.421 5.520 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(-c3ccccc3)c2c1 587641452 IYMKZABHTXMSTO-INIZCTEOSA-N 343.445 7.155 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCCCc3ccccc3)c2c1 587641865 ICGRPEQXRZYZMZ-MRXNPFEDSA-N 348.490 5.352 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1F 587958958 IOVHHMANRUTCHG-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF CN(C/C=C/c1ccc2ccccc2c1)Cc1coc2ccccc12 1772596761 DCXXKECZXOBDID-VOTSOKGWSA-N 327.427 5.731 0 1 EKAF CC(C)[C@@H]1C=C[C@]2(C)Oc3ccccc3C[C@@H]2CC[C@@](C)(O)CC1 2356454564 PHENPXQNEKYPGI-UDDWMFPDSA-N 328.496 5.150 0 1 EKAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]12 2356713698 PHXLGDRTLPKSHN-HJMUKELSSA-N 344.495 5.341 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)c4occc4CC[C@H]32)C1(C)C 2356792322 JOYRCQCBPRRDFA-JKODCVPLSA-N 344.495 5.268 0 1 EKAF Cc1cc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1C 13809532 AQLDIMXEYKJMHT-UHFFFAOYSA-N 345.398 5.718 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@]1(C)CC[C@@H]2[C@@H]1[C@H]4C2(C)C 14859661 YNDNDGLKKJXJED-VFFGQJHTSA-N 331.459 5.930 0 1 EKAF endogenous,in-man FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 27429177 MMXCWPWFOVFBCS-UHFFFAOYSA-N 332.205 5.650 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(C(F)(F)F)o1 34803675 GBJNNWLWHPYARC-UHFFFAOYSA-N 325.330 5.069 0 1 EKAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]ncc34)cc2)c1 35323981 PJSBFZAYJQMORO-UHFFFAOYSA-N 342.402 5.182 0 1 EKAF Clc1ccc(-c2cc(-c3ccoc3)cc(-c3ccsc3)n2)cc1 45335832 SXSHWSWTGAPQLK-UHFFFAOYSA-N 337.831 6.391 0 1 EKAF Oc1ccc(Cl)cc1Nc1ccnc2ccc(-c3ccccc3)cc12 58590534 BJWMDPZDQJVEFN-UHFFFAOYSA-N 346.817 6.004 0 1 EKAF CN1[C@@H]2CC[C@@H]1[C@@H](/C=C\c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 100720418 VQILFFVIWGYQHG-RVYSOMTASA-N 337.894 5.620 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCCC[C@]34C)[C@@H]1CC=C2n1ccnc1 169230338 GCTZOOXNVSJBTK-FJEIJJERSA-N 338.539 6.157 0 1 EKAF C[C@H](N=O)[C@@H]1CC=C2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 261141620 NEBOMMQPPZFFBC-ROQVDZSBSA-N 329.484 5.001 0 1 EKAF CCCCC1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 586888458 JSAHRNQGOOSVCI-UHFFFAOYSA-N 336.277 5.184 0 1 EKAF CCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1Br 586977390 MUTFMQYOMRTNQI-UHFFFAOYSA-N 329.241 5.172 0 1 EKAF C(=C/c1nc2cccc(OCc3ccccc3)c2[nH]1)\c1ccsc1 587026650 WKANFKVRFNCTMF-MDZDMXLPSA-N 332.428 5.374 0 1 EKAF Clc1ccc([C@@H]2CCc3c2nc2cccc4c2c3CC4)cc1Cl 587209187 JACMDEXRZUVCLJ-ZDUSSCGKSA-N 340.253 5.718 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccn(CC)c3c1)CC2=O 587474411 DNGMDAOFLQYZGH-OAQYLSRUSA-N 349.430 5.026 0 1 EKAF CC[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504366 IULMVMCIBNPGOU-NRFANRHFSA-N 342.385 5.114 0 1 EKAF CC(C)CC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521421 FOLWECQKTJJYHL-XMMPIXPASA-N 348.486 5.862 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(CC(=O)O)c2c1 587642341 MYBFQGNWDDFBAA-NSHDSACASA-N 343.373 5.254 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C1 587970137 ZPPCXJRJEDNEIY-QZTJIDSGSA-N 346.474 5.724 0 1 EKAF Cc1ccc2ccn(CCCOc3cc(C)c(Cl)c(C)c3)c2c1 1772652469 RMZRPFDSXOJMLD-UHFFFAOYSA-N 327.855 5.689 0 1 EKAF O[C@H]1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c21 1857760489 BTPZFIBPBMHMRF-DEOSSOPVSA-N 335.406 5.478 0 1 EKAF CO[C@H](C=C(C)CCCc1ccoc1)CC(C)=CCCc1ccoc1 2356590008 ASJBULIYJCSZNV-QFIPXVFZSA-N 342.479 6.126 0 1 EKAF O=Cc1ccc([C@H](C[N@@]2CC23CCCCC3)C2CCCCC2)cc1 2356777166 OELMYHZWMSUJPW-GGAORHGYSA-N 325.496 5.182 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@H]1CC=C2c1cccnc1 26499467 LAZGFPQCCUTDPH-HCSYDALLSA-N 331.503 6.204 0 1 EKAF Clc1ccc([C@@H](Cc2ccccc2Cl)Cn2ccnc2)cc1 33493872 WGYAJUKIGVRKLI-INIZCTEOSA-N 331.246 5.216 0 1 EKAF CCCC[n+]1ccn([C@H](c2ccccc2)c2cc3ccccc3o2)c1C 95587980 PFPFEUHGYNQGPQ-HSZRJFAPSA-N 345.466 5.268 0 1 EKAF Clc1ccc(Nc2[nH]c3ccccc3c3ncnc2-3)cc1Cl 101048120 DHCUNWGYHLYCAF-UHFFFAOYSA-N 329.190 5.113 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CS1 118921394 KEUSUQKYRBAZTR-WKBNOSBISA-N 332.553 5.042 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](C)C(=O)O 257457314 JQTZSEREVATIFK-HAGHYFMRSA-N 326.565 6.782 0 1 EKAF endogenous,in-man CC(C)S[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473110531 WRRZNYKYGMXVLR-SFHVURJKSA-N 344.867 5.213 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc1 586881452 WMTJYNWSOXHIOM-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884244 OZWVITVSDDMFTE-RVOMIOKESA-N 338.348 5.189 0 1 EKAF CC(C)(C)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079774 GVGBLIQBOITUBJ-UHFFFAOYSA-N 337.854 5.517 0 1 EKAF CC[C@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587527024 YAWKBGKWZCADSR-HSZRJFAPSA-N 334.459 5.453 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)cc1C 587624886 VXDOMEONZHLFSZ-UHFFFAOYSA-N 347.792 5.915 0 1 EKAF CC(C)c1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Cl)cc1 587629097 UGIQPFBVBRTCCI-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF Cc1c(F)ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587951437 ZXYOBURXDABPBI-UHFFFAOYSA-N 332.378 5.394 0 1 EKAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)C[C@@H]2C(C)(C)CCC[C@@]12C 2356512854 HGALRQOZWPGLJI-YMYKFTITSA-N 348.527 5.044 0 1 EKAF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=CC=C(C(C)C)CC[C@H]1C 2356593506 MMNOSRQYAMPCGC-DENIHFKCSA-N 332.528 6.383 0 1 EKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC)cc3C)ccnc21 13479608 RUTFTFMEKZOLLI-OAHLLOKOSA-N 337.467 5.339 0 1 EKAF CCSc1nnc(-c2ccccc2SCc2ccccc2)o1 28473860 UOTMSGTXVQZYPV-UHFFFAOYSA-N 328.462 5.141 0 1 EKAF CC(C)(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl 28898173 MEGFRYXTTWRDSY-UHFFFAOYSA-N 332.234 5.035 0 1 EKAF CC(C)CCc1cc(CCC(C)C)nc(NCc2ccccc2)n1 40422911 JDNITDJDXZLADF-UHFFFAOYSA-N 325.500 5.266 0 1 EKAF CCCCc1ccc(-c2cc(NC[C@H](C)c3ccccc3)ncn2)cc1 82160330 FGWVZZXKZMUFDJ-SFHVURJKSA-N 345.490 5.702 0 1 EKAF O=C(O)c1cccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 84687859 VACMCMGAOZNHHQ-UHFFFAOYSA-N 349.230 5.166 0 1 EKAF c1ccc2cc(-c3cnn4ccc(NC5CCCCC5)nc34)ccc2c1 96938013 CZOBCNFPTMNZHD-UHFFFAOYSA-N 342.446 5.294 0 1 EKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2c(F)cccc2Cl)CCC1 104081901 MCRLVEAHQXJNDF-IBGZPJMESA-N 342.801 5.714 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 586991383 NHHPDHWDSLRAQJ-UHFFFAOYSA-N 341.366 5.029 0 1 EKAF O=C(c1cccc(-c2ccccc2)c1)c1coc2ccc(Cl)cc12 587278518 PHBDXPOKIMLWGM-UHFFFAOYSA-N 332.786 5.984 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(C)=O)c2c1 587643328 ZTSIWHJGIVJNQE-GFCCVEGCSA-N 325.839 6.204 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C)N1 587812177 ISSNOHHJOHEEHJ-DIFFPNOSSA-N 342.296 5.164 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)C1 587968369 AVBMBEQJCXBFBL-NXEZZACHSA-N 339.252 5.394 0 1 EKAF O=C(NC1CCCCCCC1)c1cc2c(Cl)cc(Cl)cc2[nH]1 1857612470 NZZWUJVIVDMJES-UHFFFAOYSA-N 339.266 5.317 0 1 EKAF Clc1cc2nc(Cl)n(Cc3ccccc3Cl)c2cc1Cl 5933925 MWWGPELVXTWROB-UHFFFAOYSA-N 346.044 5.698 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@@H](SCC)C(C)C 29309904 GDSIONQIWSRATL-FVMZTCBMSA-N 326.546 5.636 0 1 EKAF NCCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 38563038 SHXYOOWNQCXHIT-UHFFFAOYSA-N 338.398 5.047 0 1 EKAF CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nnc(/C=C/c2ccccc2)o1 103275803 LRPNYOLXCZWMGV-FPPHFASXSA-N 335.234 5.299 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)C[C@]34C)[C@@H]1CC=C2c1cccnc1 169267749 XZGMJHSOWUKXSJ-UWYAYLEVSA-N 337.507 5.088 0 1 EKAF CCSc1c(Nc2c(C)cc(C)cc2C)ncnc1N(CC)CC 169310341 CBIJCMRZTHPOJN-UHFFFAOYSA-N 344.528 5.104 0 1 EKAF CC/C=C\C/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O 169344915 GGTVEFDAPOKWMQ-MRQLBRKVSA-N 342.523 6.939 0 1 EKAF O=C1C[C@H](c2c[nH]c3ccc(Cl)cc23)Sc2c(F)cccc21 299830461 IMMHQMDYDQPWNY-MRXNPFEDSA-N 331.799 5.380 0 1 EKAF c1ccc(Oc2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587042734 LNNRPOHTNAPOGB-HXUWFJFHSA-N 344.439 5.745 0 1 EKAF Cc1cc(N)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104325 QFXIYPHEWDXIAI-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF C[C@@H]1c2c(Br)cccc2-c2nc3cccc4c3c(c21)CC4 587209248 LPXHGHIODGBVCV-SNVBAGLBSA-N 336.232 5.228 0 1 EKAF CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)c1coc2ccccc12 587280902 HMHIXLRFDRPPFQ-UHFFFAOYSA-N 349.213 5.780 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)(C)C)(c1ccc(F)cc1)O2 587383600 CUJRNJZBXVGHEN-OAQYLSRUSA-N 341.426 5.013 0 1 EKAF CCCCCCc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587408636 CSAZNCKTIIJARS-GOSISDBHSA-N 343.492 5.468 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(CC)cccc13)CC2=O 587481896 ITCRFDGLDHKIQH-FQEVSTJZSA-N 349.430 5.095 0 1 EKAF O=C1C[C@@](c2ccccn2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587514047 FVZKCPSFOPQLCZ-QHCPKHFHSA-N 347.458 5.011 0 1 EKAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2c(C)cc(Cl)cc12 587624808 SPEPKSXEZBZLPZ-UHFFFAOYSA-N 331.774 5.113 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C)c2c1 587642295 MSHZLGLBONZZCH-GFCCVEGCSA-N 347.380 6.555 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccccc3F)c(C(=O)OC)c2c1 587643592 VVHDGHYDSHAYCQ-CYBMUJFWSA-N 339.410 5.198 0 1 EKAF CC(C)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812577 JFHRHSUSRFDYLB-SJCJKPOMSA-N 342.296 5.020 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)c(C)c(C)c2[nH]1 587970179 ZMGIFZLDVHHGBH-XFXZXTDPSA-N 347.300 6.092 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=CCC[C@@]43C)C1=CC=C2c1cccnc1 1772643956 JISWKDRJBMMNAN-ZNEWLNCYSA-N 329.487 6.124 0 1 EKAF Cc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F 1772647343 ANOJXKHCCKRTSY-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CCCCCC=CCC=CC=C[C@@H](O)CC=CCCCC(=O)OC 2356306142 FEVDXZUVWOIUKK-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF CCCCCC=CCC=CCC=CCCCCCCCCC(=O)O 2356445025 RILVNGKQIULBOQ-UHFFFAOYSA-N 334.544 7.221 0 1 EKAF C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 73313072 SKMFQTAOSOOOIV-KXBFYZLASA-N 344.499 5.296 0 3 EKAF Cc1ccc(C(=O)[C@H]2C=C(c3ccc(C)cc3)S[C@H]3C=CC[C@@H]32)cc1 5956337 UZPMSCYFVVIUEA-HKBOAZHASA-N 346.495 5.835 0 1 EKAF CC(C)c1ccc2c(c1Cl)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 14410998 OFNBZEHVLIXXFL-DBVUQKKJSA-N 334.887 5.558 0 1 EKAF biogenic c1ccc2c(c1)c1ccccc1n2Cc1ccc(Cn2ccnc2)cc1 49066856 DGMWPHWYONSBKZ-UHFFFAOYSA-N 337.426 5.088 0 1 EKAF CC[C@@H]1O[C@H]1CCCCCCCCCCCCCCCC(=O)O 72110055 WNFVVRZXZJGWHQ-OALUTQOASA-N 326.521 6.100 0 1 EKAF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)oc1C 82162519 DOCSSJPDJLYNFU-UHFFFAOYSA-N 348.450 5.160 0 1 EKAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]2CC1 169718539 YRAUEQUGXBLDBJ-QWRGUYRKSA-N 337.341 5.052 0 1 EKAF COc1cc(Cl)ccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587067045 YZYFDCQUUGXTCN-UHFFFAOYSA-N 327.598 5.199 0 1 EKAF COc1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083455 VDFFADPWZVOSST-UHFFFAOYSA-N 344.201 5.094 0 1 EKAF Cc1ccc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587146194 CUJQOOCNCPMFJV-DAXSKMNVSA-N 349.178 5.082 0 1 EKAF CC(C)[C@H]1CCc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587207127 HYSIMJLAORPMPB-HUUCEWRRSA-N 341.454 5.768 0 1 EKAF Cc1c2c(nc3sc(-c4ccccc4)cc13)-c1c(N)cccc1C2 587217223 UYHCOSVGUYBTIR-UHFFFAOYSA-N 328.440 5.425 0 1 EKAF Cc1noc(-c2ccccc2)c1C(=O)c1coc2ccc(Cl)cc12 587276229 OASMJYTWIGBVTL-UHFFFAOYSA-N 337.762 5.281 0 1 EKAF C[C@@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498724 GEZJMVLGESLBRJ-OAQYLSRUSA-N 340.850 5.185 0 1 EKAF Cc1ccc(CCC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587525429 PSGFRWYNEDXGCN-FQEVSTJZSA-N 348.486 5.539 0 1 EKAF COc1cc(C)ccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587925009 INTQYUDMWNSYIS-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF c1ccc(COc2ccc3nc(CC4CCCCCC4)[nH]c3c2)cc1 587961830 YTKHQRGQWLASPO-UHFFFAOYSA-N 334.463 5.655 0 1 EKAF CCCC[C@]1(C2CCCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962633455 TXULWBZDJCRMRO-AOMKIAJQSA-N 345.527 5.156 0 1 EKAF CSc1cccc(N=c2cc(-c3ccccc3)[nH]c3ccccc23)c1 1857562281 LTDJZGASGBIVLZ-UHFFFAOYSA-N 342.467 5.789 0 1 EKAF CC(=O)c1cc(-c2ccccc2)cc2cc(-c3ccc(F)cc3)[nH]c12 1857599669 FYZHWBOTCAQQKR-UHFFFAOYSA-N 329.374 5.844 0 1 EKAF CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470780 CXCNKUDUMXKAFZ-MRXNPFEDSA-N 335.447 5.813 0 1 EKAF Fc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 13728610 CHPQXURJLAVZHE-UHFFFAOYSA-N 348.465 5.419 0 1 EKAF CC/C=C(\C)[C@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C 14770945 COQVDOXGJFWFLT-SXMZHRFESA-N 342.479 5.402 0 1 EKAF C[C@H](CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1 26675039 LSGRVFKVXFZMMC-MRXNPFEDSA-N 349.430 5.172 0 1 EKAF O=C(O)c1cc(C2CC2)ccc1Cc1ccc(-c2ccccc2F)nc1 96173382 JVEBTAZRIANGCP-UHFFFAOYSA-N 347.389 5.054 0 1 EKAF Fc1ccc(F)c(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1 166963567 LLGHVJOWMKNIBP-QHHAFSJGSA-N 333.341 5.074 0 1 EKAF COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238772756 WRHCVRFRGNAASQ-WPLSPGFVSA-N 332.484 5.244 0 1 EKAF CC[C@@H]1C[C@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992783 ZOQBRJPRQYGNIW-QWHCGFSZSA-N 343.426 5.228 0 1 EKAF Fc1cc(Cl)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587056099 YWEVNPZDHZUUSN-PLNGDYQASA-N 341.600 5.833 0 1 EKAF Cc1cc(F)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587083678 GBANQDYOHFUIOG-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)s1)(C(C)C)CC2=O 587495841 UWISBFPPRTUUQN-HXUWFJFHSA-N 344.476 5.231 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCOC)c2c1 587640111 BYNCHIBVEVNRSU-AWEZNQCLSA-N 325.427 5.676 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccc(Cl)c(Cl)c3)c2c1 587641132 KIMGRKWXVAVGAM-LBPRGKRZSA-N 346.301 6.887 0 1 EKAF Cc1cc(Br)cc2nc(CC3CCC(C)(C)CC3)[nH]c12 587963935 WEXPAJXKCOFVJW-UHFFFAOYSA-N 335.289 5.393 0 1 EKAF CCCCCC=CCC=CCC[C@@H](O)C=CC=CC=CC(=O)OC 2356665883 FWTFYLONKJJMTJ-HXUWFJFHSA-N 332.484 5.052 0 1 EKAF CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C 3594086 IPVYZLACGWVYRC-IZGRLVBXSA-N 334.500 5.854 0 1 EKAF CC[C@H](C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O 13765079 MAHKREFCVQVJQL-INIZCTEOSA-N 342.442 5.169 0 1 EKAF O=C(O)c1ccc(NCCCCCCCCCc2ccccc2)cc1 29204321 HYSBLELZKOSEQL-UHFFFAOYSA-N 339.479 5.770 0 1 EKAF CCCCS[C@@H]([C@@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45394291 CRYLQIVORPQSTP-IRXDYDNUSA-N 338.904 5.346 0 1 EKAF CC(C)COC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12 49112001 OAGKXTAWOLYZJF-UHFFFAOYSA-N 343.814 5.088 0 1 EKAF CCCCCC1=NN(C(=O)NC2CCCCC2)C[C@@H]1c1ccccc1 62225222 PAIPVKUHPWZZHH-LJQANCHMSA-N 341.499 5.064 0 1 EKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2cc(C(C)(C)C)no2)N3C)cc1 202979468 OEUNHOYSAHYKJP-WKRCXCSHSA-N 338.495 5.014 0 1 EKAF O=C(O)C[C@@H](c1cccc(-c2cccc(Cl)c2)c1)c1nccs1 221078843 WAXCGWDMOGQZMV-INIZCTEOSA-N 343.835 5.070 0 1 EKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc(O)ccc3CC[C@@H]12 474608992 NGCQAWJJPMBLJJ-GPHNJDIKSA-N 326.480 5.018 0 1 EKAF Cc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1C 587242214 JHJAPBICXCKBPN-UHFFFAOYSA-N 329.403 5.296 0 1 EKAF Cc1ccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587523232 HSMRKHBXJQEWLU-NRFANRHFSA-N 331.415 5.062 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(C)cc(Br)c2[nH]1 587969417 SDFHPSFQQPJGKA-ZRDIBKRKSA-N 333.273 5.784 0 1 EKAF CSc1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1 653829297 AYMBXAXDSMBVAI-UHFFFAOYSA-N 325.824 5.153 0 1 EKAF CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356443127 ATEJLEVEJWUXMA-WDBDSZNMSA-N 344.539 5.007 0 1 EKAF COc1ccccc1CCn1cnc(-c2cccc(F)c2)c1C(C)C 169304151 XAXYSOIUXVBOQN-UHFFFAOYSA-N 338.426 5.064 0 3 EKAF C=C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1 28765456 CKDPRNYHLYLZCG-UHFFFAOYSA-N 345.229 5.288 0 1 EKAF CCC1(CC)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 28878669 RYPDLXBZMMQJEZ-UHFFFAOYSA-N 344.842 5.685 0 1 EKAF 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COc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Cl 587085182 OUIQTPYQPQHBPY-UHFFFAOYSA-N 344.201 5.094 0 1 EKAF COc1ccc2c(c1)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587107072 NMKYDIGREZAXOA-UHFFFAOYSA-N 349.389 5.026 0 1 EKAF Cc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1C 587137832 NKZMCNBIOXOZBE-UHFFFAOYSA-N 333.204 5.057 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)([C@H](C)c1ccccc1)CC2=O 587491272 VLGVQMBRHVQTPG-QRQCRPRQSA-N 338.447 5.262 0 1 EKAF C[C@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524859 NQEIFGNWXSRHNW-NPMXOYFQSA-N 332.443 5.008 0 1 EKAF CCCCC/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817971 FUEKPLYKASFDHD-GUQCVNHZSA-N 340.280 5.300 0 1 EKAF FC(F)(F)c1cnc2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587968666 NGKZOKLFQWWVCE-CMDGGOBGSA-N 339.320 5.300 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2)c1 1772646320 XVGAWVMMVIOVSW-UHFFFAOYSA-N 340.785 5.790 0 1 EKAF COc1ccc(-c2c(-c3cccc(C)n3)nn3c2[C@H](C)C(C)(C)C3)cc1 1857654129 PKVGMNWJRQHDGY-HNNXBMFYSA-N 347.462 5.072 0 1 EKAF Clc1ccccc1-c1nc(-c2ccccc2)[nH]c1-c1ccncc1 4617910 QUZUYBVTTGUAGJ-UHFFFAOYSA-N 331.806 5.459 0 1 EKAF c1csc(CCCCN2[C@H]3CC[C@@H]2Cc2[nH]c4ccccc4c23)c1 13861331 MVZQFWPPZDOLHW-QRWLVFNGSA-N 336.504 5.314 0 1 EKAF O=C(CCCCCCCc1ccccc1)c1nnc(-c2ccco2)o1 28119747 AAZWCUZCLAVHOJ-UHFFFAOYSA-N 338.407 5.096 0 1 EKAF Cc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1 40872671 HKGZARJASLGYHP-UHFFFAOYSA-N 345.446 5.416 0 1 EKAF CCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 73197220 FGUQEZOYIYHOAK-UHFFFAOYSA-N 347.527 5.233 0 1 EKAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCCCC 82186951 ULGLNFXLSDXOLQ-UHFFFAOYSA-N 345.535 5.207 0 1 EKAF Clc1cccc(-c2nnc(CCCc3c[nH]c4ccccc34)o2)c1 96917142 LBUHEPVPSNTDAJ-UHFFFAOYSA-N 337.810 5.047 0 1 EKAF CCCCc1cc2ccccc2nc1-c1cc(-c2ccc(F)cc2)no1 103251889 LJFNWKFTZVNKML-UHFFFAOYSA-N 346.405 6.039 0 1 EKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccncc4)cc3)cs2)n1 145267741 DMGVTIWLXCQBPH-UHFFFAOYSA-N 344.443 5.319 0 1 EKAF CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c(C)ccnc12 169338298 PNKQTJPXDDKRAD-IBGZPJMESA-N 348.918 5.132 0 1 EKAF CCCCCc1c([C@@H](O)CCCC)[nH]c2cc(C)c(C(=O)O)cc12 221354049 MBBMPGUBVMHAIT-SFHVURJKSA-N 331.456 5.131 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(C)cc(O)c(CC=C(C)C)c1O 238777393 PPRBUIHMPCALQT-GZTJUZNOSA-N 328.496 6.150 0 1 EKAF Fc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049666 DIFZSLTYHRAFKC-UHFFFAOYSA-N 347.176 5.936 0 1 EKAF Cc1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149202 HRTFDDHHNQEWKE-FQEVSTJZSA-N 331.394 5.212 0 1 EKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc12 587524793 KGCHPDXWDIFNGK-NRFANRHFSA-N 343.426 5.129 0 1 EKAF CCC[C@]1(c2ccc(C)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532686 RYXPGBMHEZVGOP-OAQYLSRUSA-N 340.488 5.596 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)F)c2c1 587643904 YNZVYJFRWXXYSA-SNVBAGLBSA-N 333.403 5.858 0 1 EKAF Cc1cc(C)cc([C@]2(CC(C)(C)C)NCCc3cc(C)c(F)cc32)c1 962094642 UAXQJQUQJAQNBT-QHCPKHFHSA-N 339.498 5.576 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)c1cccc(Cl)c1F 963228051 KLURVLDEVIPAIN-QVKFZJNVSA-N 345.889 5.789 0 1 EKAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@@]21C 2356733639 LMNZSAWWQSPBNF-UGKGYDQZSA-N 328.496 5.515 0 1 EKAF CCCCOP(=O)(CCCSc1ccncc1)OCCCC 13488977 ZPZNMHFTMKWGTB-UHFFFAOYSA-N 345.445 5.390 0 1 EKAF Oc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1 13673475 KYKWZUMHVAPNQH-UHFFFAOYSA-N 334.802 5.266 0 1 EKAF CCC(=O)[C@@H](C)CCC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1 14448042 KJCICXVOGJMFPE-SCKJGMHESA-N 349.540 5.338 0 1 EKAF Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043575 FFFOIRSYFQWGQH-ZDUSSCGKSA-N 338.882 6.494 0 1 EKAF C[C@@H](c1ccccc1)N(C)Cc1coc(-c2ccccc2Cl)n1 72102103 PLQQUXAPFLYDAE-AWEZNQCLSA-N 326.827 5.188 0 1 EKAF Fc1ccc(CN[C@H]2C[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 261189897 YSHLKHKUQDWFAE-VXKWHMMOSA-N 333.406 5.264 0 1 EKAF Cc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 587011463 HIFIVRYDOWXMCT-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF CCC[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206216 BMUJEMQUQVUNNF-CQSZACIVSA-N 327.427 5.666 0 1 EKAF Cc1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2cc1C 587529385 BBUWLPIBOLNCLB-JOCHJYFZSA-N 346.426 5.635 0 1 EKAF C[C@@]1(CSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533726 VDAUKUBUQUWIAM-NRFANRHFSA-N 338.472 5.082 0 1 EKAF CCc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1Cl 587628370 MRWICTMRXMKDMW-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF O=C(c1c(-c2cccc(Cl)c2)[nH]c2cc(F)ccc12)C(F)(F)F 587633992 SCXUMNGHCLISCS-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@H](C)NC(=O)OC(C)(C)C)c2c1 587643815 XNDWNVUIKYKKMA-TZMCWYRMSA-N 330.472 5.576 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(OC(F)(F)F)c1 963240546 KLDFIVUYJPRHOF-IFXJQAMLSA-N 349.396 5.331 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)[C@H]1C[C@@H]1c1ccc(OC)cc1 963245097 ZFGBLMRJFRKNAK-IZWGGKBUSA-N 349.518 5.371 0 1 EKAF O=C(Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)C1CC1 1857757727 AXYCPGMPAJANJL-UHFFFAOYSA-N 326.399 5.337 0 1 EKAF CCCCCC=CCC=CCCCc1cc(=O)c2ccccc2n1C 2356552237 JYQCHQIQAURYAG-UHFFFAOYSA-N 337.507 5.944 0 1 EKAF Fc1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 13200797 DVFPFDHTFCJOTK-OAHLLOKOSA-N 339.222 5.276 0 1 EKAF CSC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29306257 SDUDQZJKPHUYIS-UQHDCKCOSA-N 326.546 5.779 0 1 EKAF Clc1cccc(O[C@H](c2ccccc2)C2CCNCC2)c1Cl 42989162 AMLGZPQHVSFYSD-GOSISDBHSA-N 336.262 5.113 0 1 EKAF CC(C)c1ccc(-n2c(=S)oc3ccc(F)cc3c2=S)cc1 64573751 RDJBOQRIUGNRIH-UHFFFAOYSA-N 331.437 5.945 0 1 EKAF CCCCC/C=C(\c1cccnc1)c1c(C)c(O)c(C)c(C)c1O 169712484 SQTZKYZSLRJSPG-WOJGMQOQSA-N 325.452 5.430 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)c1F 587153185 WRQCNSMDTUFUMF-IUCAKERBSA-N 339.172 5.419 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587165480 WZPYVEFJBRZFBC-UHFFFAOYSA-N 348.446 5.976 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C3CCC3)cc1)CC2=O 587482675 PFCKQTUIPDCKJO-NRFANRHFSA-N 336.431 5.319 0 1 EKAF Cc1cc(C)n(C[C@H](C)c2nc(-c3ccc(C)c(C)c3)cs2)n1 587921087 ROSFNVDSYROMEK-AWEZNQCLSA-N 325.481 5.044 0 1 EKAF C/C(=C\c1nc2cc(F)cc(Br)c2[nH]1)C1CCCCC1 587967169 IHQALKIBWGQLJB-JXMROGBWSA-N 337.236 5.448 0 1 EKAF Cc1c(F)ccc2c1[C@@](CC(C)(C)C)(c1ccc(F)cc1F)NCC2 962369955 BYNVDUAFXXPNGC-OAQYLSRUSA-N 347.424 5.238 0 1 EKAF CC(C)(C)c1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1 1857606470 BCDPPIKOOWMPML-UHFFFAOYSA-N 346.474 5.453 0 1 EKAF CCCCCCC(C)=CC(=O)OC[C@@H](C)CCC[C@H](C)CC(=O)O 2356473511 HPMCDJQPMNPVHR-WMZOPIPTSA-N 340.504 5.364 0 1 EKAF CCC=CCCC=CCC=CCCC=CCCC=CCCC(=O)O 2356498268 PIFPCDRPHCQLSJ-UHFFFAOYSA-N 330.512 6.773 0 1 EKAF CC=CCC=CCC=CCCCCCCCCCc1ccc(C=O)[nH]1 2356803248 WWIXJGKMJMOQPZ-UHFFFAOYSA-N 341.539 6.959 0 1 EKAF CC/C=C/[C@@H](c1ccccc1)[C@H](C)[C@H](O)CC(=O)SC(C)(C)C 13828811 HOYRUMGOZHNEIA-DYYPGIJDSA-N 334.525 5.182 0 1 EKAF CC(/C=C/C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O 13911442 QDSJNVKXCJRDGA-AXZFEOQBSA-N 338.491 5.654 0 1 EKAF Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 26643672 JIQRYIXFQANSEL-UHFFFAOYSA-N 348.808 6.203 0 1 EKAF O[C@@H]1Cc2cc(Cl)ccc2N[C@H](c2c(Cl)cccc2Cl)C1 53230450 JTZIAPIQJYGNFI-ABAIWWIYSA-N 342.653 5.107 0 1 EKAF CC[C@H](c1ccccc1)[C@H]1C(=O)CC(CC(C)C)(CC(C)C)OC1=O 58512878 QSNGGUCNKQVWOS-QUCCMNQESA-N 344.495 5.143 0 1 EKAF Cc1cccc(CNc2cc(-c3ccc(C(C)(C)C)cc3)ncn2)c1 82160785 TYLREISYUKCAGL-UHFFFAOYSA-N 331.463 5.362 0 1 EKAF S=C(Nc1ccccc1)N1N=C2CCCC[C@H]2[C@@H]1c1cccs1 139898562 VQWKGIHKMXIZQJ-RHSMWYFYSA-N 341.505 5.048 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(=C\Cc1cc(O)ccc1O)C(=O)O 143562285 HVLZHPCKWVKAQH-WDBVYENDSA-N 344.451 5.124 0 1 EKAF CC(C)(C)N1CC(N2c3ccccc3CCc3ccc(Cl)cc32)C1 169333208 FRWHYFMPYXPMCU-UHFFFAOYSA-N 340.898 5.059 0 1 EKAF C=Cc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 586879871 ABLXKFJOZDQSLZ-UHFFFAOYSA-N 333.616 5.289 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2C1 587032844 BPVYUPNHUILIGT-VIFPVBQESA-N 336.382 5.435 0 1 EKAF FC(F)(F)c1cc(Cl)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 587034197 QWKMQHRAUURLOV-UHFFFAOYSA-N 342.773 5.452 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](C)C4)-c1ccccc1C2=O 587100590 LPFBVPLTMGIICT-UONOGXRCSA-N 327.427 5.125 0 1 EKAF O=C(c1csc(-c2ccccc2)n1)c1coc2ccc(Cl)cc12 587279222 PBVUXDRMCINSKI-UHFFFAOYSA-N 339.803 5.441 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCC1)CC2=O 587490765 URNVGKCTBJUCSL-JOCHJYFZSA-N 336.431 5.006 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)C(F)(F)F)c2c1 587640835 JSXLILFBEPWAOI-NSHDSACASA-N 346.352 5.488 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C3CC3)c(NC(=O)OC(C)(C)C)c2c1 587642538 MGZPSLUNXKAHRX-GFCCVEGCSA-N 328.456 5.906 0 1 EKAF CSc1ccc(-c2csc(Cc3ccc(Cl)cc3)n2)cc1 587924629 GOSJIXILVWNAOC-UHFFFAOYSA-N 331.893 5.776 0 1 EKAF Clc1cc(Cl)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951445 KYHRLVDVNPIJND-UHFFFAOYSA-N 333.218 5.468 0 1 EKAF COc1ccc(-c2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 1772610645 OBIOXKDRPXBION-UHFFFAOYSA-N 343.430 5.021 0 1 EKAF c1ccc(N2O[C@H](c3ccncc3)C[C@@H]2c2c[nH]c3ccccc23)cc1 1857649323 RYWBPTHAQKBUBF-YADHBBJMSA-N 341.414 5.187 0 1 EKAF C[C@H]([C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1)N(C)C 2356497512 PYDXFAVAROXWAK-ASJXOWPASA-N 343.555 5.085 0 1 EKAF CC(C)(C)Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1 3833990 KACJBPPRTAWEJJ-UHFFFAOYSA-N 342.226 5.214 0 1 EKAF CCOC(=O)c1ccc(NCCCCCCc2ccccc2)cc1 29203487 NAWHCWOOMMXOSA-UHFFFAOYSA-N 325.452 5.078 0 1 EKAF Cc1ccc([C@H](c2cn(C)c3ccccc23)N(C)c2ccccc2)cc1 71341117 VBNLLIFEKNSRFU-XMMPIXPASA-N 340.470 5.713 0 1 EKAF Fc1cc(F)c(-c2nc3ccccn3c2NC2CCCCC2)cc1F 72177467 UNGOIYAIYLQBGA-UHFFFAOYSA-N 345.368 5.163 0 1 EKAF c1ccc2c(-c3ccc([C@H](C4CC4)n4ccnc4)cn3)cccc2c1 96282883 HNRDWGMIZLZSQA-QFIPXVFZSA-N 325.415 5.098 0 1 EKAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)N=N1 253648807 XFRVTPWXXZOYFP-YGJNQFLQSA-N 328.500 5.108 0 1 EKAF C=Cc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 586882224 WMAPRNUCAIKWPB-UHFFFAOYSA-N 333.616 5.289 0 1 EKAF CCc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077313 RDABEIYSSBBNOG-IBGZPJMESA-N 339.870 5.116 0 1 EKAF Brc1cccc2c(-c3cc4c5c(cccc5n3)CC4)c[nH]c12 587208879 CZSRDQQGIZEGSF-UHFFFAOYSA-N 349.231 5.244 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@H](c1ccccc1)C(C)C)CC2=O 587487989 HIULOVIIUCMKDN-SFTDATJTSA-N 338.447 5.118 0 1 EKAF CCCCC(CCCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587488076 HSXWQUCOCQSVJJ-JOCHJYFZSA-N 346.511 6.065 0 1 EKAF O=C1C[C@@]2(CCCC[C@H]2c2ccccn2)Oc2c1ccc1c2CCCC1 587513693 DZVCRULCQQGSLZ-WMZHIEFXSA-N 347.458 5.022 0 1 EKAF O=C1C[C@@]2(CCC[C@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587521457 CBXWMCINSSXBRD-YADARESESA-N 346.470 5.312 0 1 EKAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587525409 PKJCIJPYDAEJTO-HSZRJFAPSA-N 332.443 5.107 0 1 EKAF Cc1c[nH]c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587527048 SVOCUFKXYLZZCZ-HSZRJFAPSA-N 349.474 5.035 0 1 EKAF Cc1ccnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587949909 NAVOMEGEJNWILK-QXMHVHEDSA-N 327.387 5.229 0 1 EKAF Cc1c(Cl)ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955006 DWUMXVHBGUQISR-SFHVURJKSA-N 346.861 5.899 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/CN)C(C)(C)C[C@@H](O)C1 1857591680 USENAIFUGPTHIQ-GBYGFPAISA-N 327.512 5.004 0 1 EKAF Cc1ccc2oc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc2c1 1857765043 AISVJYNPZCLFQZ-UHFFFAOYSA-N 343.386 5.447 0 1 EKAF Cc1cc2oc(-c3ccccc3)c(C)c(=O)c2c2c1OC(C)(C)S2 1630748 FROPCGUFZGGZAV-UHFFFAOYSA-N 338.428 5.297 0 1 EKAF Cc1ccc2nc(/C=C/c3ccccc3)c(NCc3ccccc3)n2c1 4172737 XDHTZIPOEDTZSK-BUHFOSPRSA-N 339.442 5.425 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@@H](C)O)C[C@@H]21 27632030 NLCXTZGJXGMFME-ZTFGCOKTSA-N 344.495 5.097 0 1 EKAF CCN(CC)CCCNc1ccnc2cc(Oc3ccccc3)ccc12 28127863 IEIHPPHULBJYPF-UHFFFAOYSA-N 349.478 5.171 0 1 EKAF C1C2CC3CC1CC(c1nnc(C45CC6CC(CC(C6)C4)C5)o1)(C2)C3 28654827 HWGAFZNFSGNHQU-UHFFFAOYSA-N 338.495 5.005 0 1 EKAF FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 28767742 JNLKWAQWVIGRFB-UHFFFAOYSA-N 333.193 5.045 0 1 EKAF CC(=O)O[C@@H]1Cc2c(cc3occc3c2C)[C@@]2(C)CCCC(C)(C)[C@H]12 43075448 WITNZPLCRJEDQU-RZUBCFFCSA-N 340.463 5.313 0 1 EKAF biogenic CC(C)=CCC/C(C)=C/[C@H](C)NCCNC1C2CC3CC(C2)CC1C3 45259373 XOTXAAKETWRCOX-BADTVKKDSA-N 344.587 5.072 0 1 EKAF Clc1cc(Br)ccc1Nc1ccc2ccccc2n1 73223176 TYXMXGVFJXFKAF-UHFFFAOYSA-N 333.616 5.394 0 1 EKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 100290498 ZJNVIVRSORGHEF-HOTGVXAUSA-N 342.523 6.821 0 1 EKAF N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1 169352378 WCCVFAXBWWJDHU-UHFFFAOYSA-N 334.485 5.500 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1cccs1)[C@H]1C(=O)CC(C)(C)CC1=N2 169690672 PZOQTZIHCOGITR-RTBURBONSA-N 338.476 5.301 0 1 EKAF CC(C)=CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990298 ATGKTIYWWKABLF-UHFFFAOYSA-N 329.399 5.051 0 1 EKAF Cc1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586994210 PUOUQXVCEGSEJO-UHFFFAOYSA-N 343.407 5.189 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1F 587103200 HMQHJUDXBRWILR-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF Nc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1F 587140009 DHZRBWDNMBYQFH-UHFFFAOYSA-N 335.407 5.102 0 1 EKAF C/C(=C/c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205800 FTPWZZLDHJWLBV-PEZBUJJGSA-N 347.417 6.007 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(Cl)cccc3s1)O2 587414354 LXENVGJIUNMKLV-OAHLLOKOSA-N 343.835 5.152 0 1 EKAF CCCC[C@@H](O)[C@@]1(CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587530861 VZAUARMAYSKRAM-IFMALSPDSA-N 344.495 5.011 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NC3CCCCCCC3)c2c1 587643137 RDISDFPKOWHCIK-HNNXBMFYSA-N 340.511 5.833 0 1 EKAF CCCOc1ccccc1-c1nc(-c2cccc(Cl)c2)cs1 587920029 ALHJPJBAHIHGOW-UHFFFAOYSA-N 329.852 5.919 0 1 EKAF CCCC[C@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962661951 IPSLXYZECQXABJ-URXFXBBRSA-N 333.519 6.075 0 1 EKAF CO[C@@H]1CC(=CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)[C@H](OC)O1 2356654547 BCNNXHSXFZXSIE-BWWVKXBNSA-N 348.527 5.467 0 1 EKAF CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccc2c(c1)OCO2 205706673 AMVGRWZVXHBAPZ-RPLTXICNSA-N 345.439 5.103 0 3 EKAF O=C(C[C@H](C(=O)c1cccs1)c1ccsc1)c1ccccc1 6578565 JGIALIGJEMTVJE-HNNXBMFYSA-N 326.442 5.049 0 1 EKAF O=C(OCCN1CCCCCC1)C(C1CCCCC1)C1CCCCC1 13864157 KENCWRXMHQACBT-UHFFFAOYSA-N 349.559 5.182 0 1 EKAF COc1ccccc1Cc1cc2ccccc2cc1-c1cccnc1 40431047 RYCHUECSTFEUFU-UHFFFAOYSA-N 325.411 5.501 0 1 EKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2ccccc2)cc1 45358185 FSKKTZPFXFTOGX-IBGZPJMESA-N 327.424 5.105 0 1 EKAF in-vivo Fc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 72118019 FFFGVWHJHXRJHI-UHFFFAOYSA-N 338.329 5.712 0 1 EKAF CC(C)(C)c1ccc(Cn2cc(/C=C/C(=O)O)c3ccccc32)cc1 84632890 NUPAWZWCNKCOQD-JLHYYAGUSA-N 333.431 5.085 0 1 EKAF Cc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1C 95556961 MOXBIRDHNDMBQV-UHFFFAOYSA-N 328.419 5.065 0 1 EKAF CCCC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920113 OGWVYTLFOOSLFA-NZKLXDHZSA-N 346.555 5.520 0 1 EKAF C[C@H]([C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1)N(C)C 255260223 PYDXFAVAROXWAK-IMZMVXOYSA-N 343.555 5.085 0 1 EKAF Oc1ccc([C@H]2CC(c3ccccc3)=NN2c2cccc(Cl)c2)cc1 299827042 WRZDYJDTSNUFDR-OAQYLSRUSA-N 348.833 5.401 0 1 EKAF CCc1cc2ccccc2n1CCCCOc1ccc(C)c(Cl)c1 473249334 UVGPHCKPOYMIMH-UHFFFAOYSA-N 341.882 6.025 0 1 EKAF CC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587055704 WPEUVGVLYSNATD-VURMDHGXSA-N 331.202 5.243 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2n1 587085780 HHQDEOVSFQMQBE-UHFFFAOYSA-N 336.826 5.124 0 1 EKAF Cc1c(C2CCCCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100063 ZJASEHICHJGKFS-UHFFFAOYSA-N 341.454 6.111 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)nc2cccc3c2c1CC3 587210302 NPAANXQAUCLYNY-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF Cc1nc(-c2ccccc2F)sc1-c1cc2c3c(cccc3n1)CC2 587214061 VRKXJCMPFGMCDX-UHFFFAOYSA-N 346.430 5.571 0 1 EKAF O=Cc1cccc(-c2ccsc2-c2cc3c4c(cccc4n2)CC3)c1 587216811 NLWYAQVMARCQNI-UHFFFAOYSA-N 341.435 5.541 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(C)c1Cl)CC2=O 587466933 QTBRLWSMODYBDN-INIZCTEOSA-N 348.801 5.152 0 1 EKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(F)cc1F 587635010 XTZAOAMIXBAJMA-UHFFFAOYSA-N 346.352 5.135 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(OC)c3[nH]2)c1 587780617 VYYRJBJAQKKMGJ-UHFFFAOYSA-N 344.414 5.304 0 1 EKAF Cc1ccc(C)c(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587959724 SXJQGIHUCLPUQO-UHFFFAOYSA-N 338.760 5.443 0 1 EKAF C[C@@H]1CCC2=C3[C@H](C[C@@H](O)C2(C)C)c2[nH]c4ccccc4c2C[C@@]31C 2356729500 MIQYAOWHEHWVNN-AQTRJIGRSA-N 335.491 5.331 0 1 EKAF COc1cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2cc1OC 13737701 FWZBIPJHRQHWLJ-UHFFFAOYSA-N 341.410 5.586 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1 14691399 OJZATKPMGAGZGS-BPNKPRMTSA-N 328.496 6.257 0 1 EKAF COC(=O)C[C@H](C)CC[C@]1(C)C2=C(CC[C@@H]1C)C(C)(C)C(=O)CC2 15266652 CUSRCNNOZUKUSM-WIEQDCTASA-N 334.500 5.088 0 1 EKAF biogenic Cc1ccc(O[C@H](CCCn2ccnc2)c2ccc(Cl)cc2)cc1 40894172 KBNCKPRDWIIYJU-HXUWFJFHSA-N 340.854 5.445 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccccc3)S4)on2)cc1 66260102 GGNBFDVFZAGDEV-RPHTVSPISA-N 347.483 5.877 0 1 EKAF C[C@@H](NCc1coc(-c2ccccc2F)n1)c1cccc2ccccc12 72182802 DBJRMTQNTVRWOO-OAHLLOKOSA-N 346.405 5.485 0 1 EKAF CC(C)CCCCCCCCCCCCCCC[C@@H](O)C(=O)O 143603475 PDJOEVWYWZPEDG-LJQANCHMSA-N 328.537 5.939 0 1 EKAF CC(C)Oc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1 169325725 NSSGWTVHLIFHPL-UHFFFAOYSA-N 338.428 5.139 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CCC1=N2 169722041 HPIKIUCVJUGZSD-OALUTQOASA-N 342.801 5.006 0 1 EKAF CCC[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990526 LIBRICFQVOXJTO-ZDUSSCGKSA-N 343.426 5.372 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n1 587078981 FCQQKSXCHNCJGK-MRVPVSSYSA-N 342.752 5.070 0 1 EKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(F)cc3[nH]2)c1 587239455 YMOLWSPSKIRMQG-UHFFFAOYSA-N 346.409 5.312 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3ccccc3o1)(C(C)(C)C)O2 587411794 KLFJPTWVGDFJQC-JOCHJYFZSA-N 349.430 5.230 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CCCc3cccc1c32 587483439 QGRPOFMKNXXJOI-IQMFZBJNSA-N 348.442 5.029 0 1 EKAF C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497414 AOKSPVQLBDAFBR-HXUWFJFHSA-N 326.823 5.099 0 1 EKAF CC(C)[C@@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521660 DATFRCDBUYEDDO-VXKWHMMOSA-N 334.459 5.339 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(NC(C)=O)c3)c(C(C)=O)c2c1 587640868 CDESWDDCTXEULB-ZDUSSCGKSA-N 348.446 5.509 0 1 EKAF CCCCCC1=C(C)CC[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963105502 MQHXCKPTIVIVOR-PGRDOPGGSA-N 327.487 5.732 0 1 EKAF Fc1ccccc1C[C@H]1COC[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772587928 DHIVDYLWIWFMQM-GJZGRUSLSA-N 339.237 5.180 0 1 EKAF O=C(CCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 13611930 DZTIVNKCUGXBSS-UHFFFAOYSA-N 348.446 5.503 0 1 EKAF CC[C@H](c1cc(O)cc(Cl)c1)[C@H](CC)c1cc(O)cc(Cl)c1 27653952 JUWIMOWOTINEJK-QZTJIDSGSA-N 339.262 6.092 0 1 EKAF c1ccc([C@H]2C[C@@H]2C2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28115679 VXNAGVBIUHVJDI-ACESQOTJSA-N 338.454 5.274 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\[C@@H](O)CCCO 28341467 RSVJYGYZYLKTOX-CLBPEISGSA-N 344.539 5.818 0 1 EKAF CN[C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc21 29323746 FXIJJIKEXAMLJU-NZQKXSOJSA-N 329.443 5.665 0 1 EKAF Fc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)c2ccccc2)cc1 43439835 CNYKYXANFLSTCU-VXPUYCOJSA-N 342.335 6.347 0 1 EKAF CCOC(=O)c1ccc([C@H]2C[C@H]2c2ccc3c(c2)[C@@H]2CC[C@@H]3C2)cc1 100791266 JXPKDVUVFSQUEH-ZYOFANERSA-N 332.443 5.499 0 1 EKAF CCCCCCNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1 101278210 MTCYQOIUKTZGDN-UHFFFAOYSA-N 336.435 5.034 0 1 EKAF CCCCCCOc1ccc(-n2cnnc2CCc2ccccc2)cc1 103271853 KQLYLXPJNWYEHO-UHFFFAOYSA-N 349.478 5.012 0 1 EKAF C/C(=C\CCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 136246206 DARLMVMUSMRSIS-KZQGYNQESA-N 328.452 5.760 0 1 EKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCC(=O)OC 238748866 VQHJSIBYSWTMLS-NVXKSXBGSA-N 344.539 6.861 0 1 EKAF CC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 263614639 PUYXSOZDOLDUCC-UHFFFAOYSA-N 336.472 5.014 0 1 EKAF in-vitro COc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049001 KFJXTNUOQSHOIV-GHMZBOCLSA-N 333.218 5.149 0 1 EKAF CC/C=C\CCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587100010 CXMWIGSOFVBVMP-PLNGDYQASA-N 341.454 6.044 0 1 EKAF CCCCCC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587404009 SVSGHGWSXOUWOL-QFIPXVFZSA-N 337.463 5.408 0 1 EKAF O=C1C[C@H](c2c(F)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587507603 RKNPNAYQPGDFRN-MRXNPFEDSA-N 348.776 5.204 0 1 EKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)cc1 587633250 WTPYLISCFSLSHW-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(F)c3[nH]2)c1 587780243 PNCPMROOBDWJCB-UHFFFAOYSA-N 332.378 5.435 0 1 EKAF C/C(=C\c1nc2ccc(F)c(Br)c2[nH]1)C1CCCCC1 587967214 IPSKJXGXENOOEO-MDZDMXLPSA-N 337.236 5.448 0 1 EKAF CCCc1sc2ccccc2c1C(=O)c1cccc2ccccc12 1772603133 JAAUKJUHYAZVIG-UHFFFAOYSA-N 330.452 6.238 0 1 EKAF CC(=CCCc1cocc1Cc1ccoc1)CCC[C@H](C)CC(=O)O 2356530352 AUGJJCZFGQHVPY-KRWDZBQOSA-N 344.451 5.623 0 1 EKAF CC(C)=CCCC(C)=CCc1cc(O)cc(Br)c1O 2356595338 CVVXCXYSCZBENF-UHFFFAOYSA-N 325.246 5.096 0 1 EKAF COc1ccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)cs2)cc1 61930041 NYBDIOKMCJVDEH-HXUWFJFHSA-N 347.439 5.054 0 3 EKAF Cc1ccc2nc(-c3ccc(F)cc3)c(Cc3cccc(F)c3)n2c1 199363933 GXTUBJAQYVBEPE-UHFFFAOYSA-N 334.369 5.179 0 3 EKAF CC1(C)COc2c(C3CCCC3)cc(C(=O)CCCC3CC3)cc21 13779222 DQBUVASGOMAQID-UHFFFAOYSA-N 326.480 5.777 0 1 EKAF CCN(CC)CCS[C@@H]1Cc2ccccc2Oc2ccccc21 27556032 ZLNOSYSAPKRDEO-HXUWFJFHSA-N 327.493 5.151 0 1 EKAF c1ccc(C[C@@H](Nc2nc3ccccc3s2)c2ccccc2)cc1 28010614 XTODZPGNUMVFKH-LJQANCHMSA-N 330.456 5.692 0 1 EKAF CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 40900354 DRIJYOJIDRJOIY-QGZVFWFLSA-N 347.245 5.081 0 1 EKAF Cc1cccc(C)c1-c1ccc(OC(F)F)c(-c2nc(C)c(C)[nH]2)c1 45374094 ZWQWRYMQJOCJPK-UHFFFAOYSA-N 342.389 5.579 0 1 EKAF CCC/C=C\C/C=C/CCCCCCCc1cccc(O)c1C(=O)O 111955635 KAOMOVYHGLSFHQ-KXKKYDSASA-N 344.495 6.276 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1CC(F)(F)F)-c1ccccc1C3=O 586992159 DZQFEXABLMGNLO-UHFFFAOYSA-N 341.332 5.168 0 1 EKAF Oc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Cl)c1 587054261 NOMOLKMUEXKSIC-UHFFFAOYSA-N 336.778 5.381 0 1 EKAF Oc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163871 MGVHLAUPXSODAZ-GDNBJRDFSA-N 336.391 5.058 0 1 EKAF COc1cccc(-c2c(C3CC3)c(C)nc3c2oc2ccccc23)c1 587366101 RKTHHPAYUDQHOX-UHFFFAOYSA-N 329.399 5.842 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(Cl)cc1C)CC2=O 587458943 GERZYJFBAFJQKM-IBGZPJMESA-N 344.838 5.321 0 1 EKAF Cc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C)c12 587515408 MKXFUALDBFUVJO-OAQYLSRUSA-N 345.442 5.072 0 1 EKAF Cc1ccc([C@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587527404 VCJPYZMTHSIGPQ-QPPBQGQZSA-N 346.470 5.546 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)C(F)(F)F)c2c1 587640834 JSXLILFBEPWAOI-LLVKDONJSA-N 346.352 5.488 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)cc(C)c3[nH]2)c1 587780375 RBEADMPEFGDRRE-UHFFFAOYSA-N 342.442 5.912 0 1 EKAF CSc1ccc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)cc1 587924554 CEUXAAMMWAQNLR-UHFFFAOYSA-N 349.521 5.151 0 1 EKAF COc1ccc(-c2ncc(C(F)(F)F)c3c2[nH]c2ccccc23)cc1 621477629 FEIDRCHYPFCCPS-UHFFFAOYSA-N 342.320 5.411 0 1 EKAF Cc1ccccc1-c1cccc([C@H]2NCCc3ccc(F)c(C)c32)c1 962293835 AFQVJUGBBCDGDD-HSZRJFAPSA-N 331.434 5.345 0 1 EKAF CC(=O)O[C@@H]1OCC2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356313361 WTNWTMNADOABGR-UPZYVNNASA-N 346.511 5.577 0 1 EKAF CC(C)=CCC[C@@]1(C)C=Cc2cc3c(cc2O1)[nH]c1cc(O)c(C)cc13 2356456494 HHDQJDODXRZTMR-QHCPKHFHSA-N 347.458 6.246 0 1 EKAF COc1ccc(O)c(CC2=C(C)CCC[C@]2(C)C=CC=C(C)C)c1 2356538692 NCAUXCIBEDUXEZ-QFIPXVFZSA-N 326.480 5.972 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc(SCCC(C)C)cc1 26392619 BVRCHURJBACNHK-JQIJEIRASA-N 340.488 6.084 0 1 EKAF Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1 29125008 CRLQFKMWDMUITC-UHFFFAOYSA-N 334.419 5.036 0 1 EKAF Oc1c(Cc2ccccc2)ccc2c1[nH]c1ccc(Cl)c(Cl)c12 64549254 VJXGECHHOUASAO-UHFFFAOYSA-N 342.225 5.924 0 1 EKAF O=C(c1ccc(N2CCCCC2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64559751 CUONICBVAWIINN-UXHICEINSA-N 339.866 5.317 0 1 EKAF CC(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 71297059 SPXHPHKCLZBTKJ-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF CCOc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 95589128 YJONJCJIVGMVPU-ZDLGFXPLSA-N 338.378 5.027 0 1 EKAF O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(F)cc3S[C@@H]12 169715403 DFPCMGXOXSQNCF-ADLMAVQZSA-N 345.826 5.173 0 1 EKAF Cc1cc(F)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032567 KWPVSGTXALMUKU-UHFFFAOYSA-N 337.423 5.018 0 1 EKAF COc1cc(Cl)ccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587066767 RACLRTXQEHDIEW-UHFFFAOYSA-N 344.695 5.050 0 1 EKAF CC(C)(C)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587106349 AKFWYPXNAFHEID-UHFFFAOYSA-N 332.369 5.470 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(C)c1)CC2=O 587458698 DYBHCBSPCAEKID-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CCCCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524550 OIQDSVYHSOYZCK-XMMPIXPASA-N 348.486 5.789 0 1 EKAF CCC(C)(C)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587528237 ZLEIEGIAUPXZDY-UHFFFAOYSA-N 340.507 5.896 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3cccs3)[nH]c12 587624594 NSQAXZSEXZDADW-UHFFFAOYSA-N 325.767 5.306 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(C)(C)C)c2c1 587639848 DVPFJSBROLZJIN-SNVBAGLBSA-N 325.374 5.929 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C)c2c1 587642297 MSHZLGLBONZZCH-LBPRGKRZSA-N 347.380 6.555 0 1 EKAF CCCCc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587925683 SSCJFXBZEDNFOS-UHFFFAOYSA-N 339.529 6.542 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(Br)c(C)c2[nH]1 587968988 PEVUHYSOXZGESR-BENRWUELSA-N 333.273 5.784 0 1 EKAF C/C(=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C1CCCCC1 587969269 XLVMDFASPZKFOZ-JXMROGBWSA-N 326.337 5.704 0 1 EKAF Cc1cc2c(cc1F)[C@](C)(c1ccc(Oc3ccccc3)cc1)NCC2 962293884 AOYNOXZFJKOUPL-QHCPKHFHSA-N 347.433 5.336 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1c[nH]c2cc(F)ccc12 963241864 OEIMFOUMWGGTTN-NYHFZMIOSA-N 336.454 5.227 0 1 EKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356364685 ZVGQOQHAMHMMNE-NTNVJIBLSA-N 330.512 5.169 0 1 EKAF CCC=CC=C[C@@H](O)CC=CCC=CCC=CCC=CCCC(=O)O 2356672940 CSXQXWHAGLIFIH-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1ncc[nH]1 13587156 HCGNRZVYDGVQSM-UHFFFAOYSA-N 348.446 5.289 0 1 EKAF CC(C)c1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604801 JIGRGDVRYVTLCA-JOCHJYFZSA-N 340.463 5.398 0 1 EKAF CC1=C[C@H]2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)[C@@H]2CC1 14649970 DYHMKBLKWFFFSZ-WOJBJXKFSA-N 348.486 5.788 0 1 EKAF biogenic CCCCCC12CCC(CC1)[C@H](c1cc(=O)c3cc(O)ccc3o1)C2 27556238 PXDGXLKOYJQZMC-GXPWMBGSSA-N 340.463 5.743 0 1 EKAF c1cncc([C@H]2CCCN2C2c3ccccc3Oc3ccccc32)c1 28230729 UECUFYZWHKPDAS-LJQANCHMSA-N 328.415 5.114 0 1 EKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(Cl)cc2)cc1 40865671 FZNOCGAENRTENG-IBGZPJMESA-N 326.827 5.055 0 1 EKAF CC1(C)[C@H](C=C(Cl)Cl)[C@H]1c1nnc(-c2ccc(Cl)cc2)o1 103275814 JOJCXIAKLCKOAS-PWSUYJOCSA-N 343.641 5.449 0 1 EKAF CCN(CC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC 169309986 XNDIEQVMEDTNPQ-UHFFFAOYSA-N 344.528 5.022 0 1 EKAF C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)[C@H]1CCCC[C@H]1C 299816891 XVWDFPZSRGALNR-LTDCPUDJSA-N 344.499 5.152 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(C)c3[nH]2)s1 587014860 RWIDHYNZUIHQOF-JTQLQIEISA-N 335.860 5.054 0 1 EKAF CCc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077314 RDABEIYSSBBNOG-LJQANCHMSA-N 339.870 5.116 0 1 EKAF O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)F)nc3cccc1c23 587104566 UELGIOCTLGHYJA-UHFFFAOYSA-N 349.258 5.100 0 1 EKAF FC(F)(F)c1cccc([C@@H]2CCc3c2nc2cccc4c2c3CC4)c1 587210698 VYKRDCROTHJNGG-HNNXBMFYSA-N 339.360 5.430 0 1 EKAF CC(C)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cccc(Cl)c1 587638762 PLOCGRWFTBFEMX-UHFFFAOYSA-N 327.811 5.385 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2=CCCCC2)N1 587817261 BAMVIXUXYNXWGB-APPDUMDISA-N 338.264 5.054 0 1 EKAF Fc1c(Cl)cc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1F 587969360 RQOBZHBPAWGXJR-CMDGGOBGSA-N 340.760 5.818 0 1 EKAF CCCCc1ccc([C@@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950642 RZXMRGFJXMOZCQ-NTKDMRAZSA-N 346.518 5.698 0 1 EKAF C[C@H]1C[C@H](C(=O)Nc2nc3c(Cl)cccc3s2)CC(C)(C)C1 1857775190 IUYCRBYBLXZBLK-QWRGUYRKSA-N 336.888 5.351 0 1 EKAF CCOC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 13403116 SAJRXXIOFTUOHI-NLXHMFRLSA-N 334.544 6.155 0 1 EKAF biogenic CCSc1c(/C=C/C(=O)O)ccc2c1cc(C)n2-c1ccccc1 28524973 RHIJPCRTKAAVPK-ZRDIBKRKSA-N 337.444 5.149 0 1 EKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 84729759 XECLBYVJWQYBLT-QFIPXVFZSA-N 346.861 6.331 0 1 EKAF CCOC(=O)c1cc(-c2ccccc2)nc2c1ccc1c2ccn1CC 96286011 CBWKPQBFIMFFDU-UHFFFAOYSA-N 344.414 5.053 0 1 EKAF Clc1ccc2c(N[C@H]3CC[C@H](N4CCCCC4)CC3)ccnc2c1 102262072 SVJCZPVZDHLIEP-CALCHBBNSA-N 343.902 5.097 0 1 EKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2c(F)cccc2Cl)CCC1 104081897 MCRLVEAHQXJNDF-LJQANCHMSA-N 342.801 5.714 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)cc2)n1 141860884 LUFHTTZXBDDABR-LJQANCHMSA-N 349.865 5.595 0 1 EKAF Cc1cc2[nH]c(C(=O)CC(C)C)c(-c3ccccc3)c2cc1C(=O)O 221356707 WSTSNKNHEZJPND-UHFFFAOYSA-N 335.403 5.070 0 1 EKAF CCCC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC1 586877527 BXNAQAJGVUPRLJ-UHFFFAOYSA-N 347.487 6.061 0 1 EKAF Cc1nc(COc2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)cs1 587020534 UVSNKPOIYWTZBJ-UHFFFAOYSA-N 349.459 5.191 0 1 EKAF Clc1nc(-c2nc3cc4ccccc4cc3[nH]2)cc2ccccc12 587085808 IUGXLPMFJYILEF-UHFFFAOYSA-N 329.790 5.585 0 1 EKAF Cc1nc2cccc3c2c(c1[C@@H](C)CC(C)C)-c1ccccc1C3=O 587205733 DULMIZDUROVQMS-AWEZNQCLSA-N 329.443 5.904 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3)cc1)O2 587407207 YUQRKJZIQUPTCH-HSZRJFAPSA-N 343.426 5.125 0 1 EKAF CC[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509108 XALLPPDBPLPDKL-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF Cc1ccc2c(c1)cc([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C 587515078 JCNRQMKTQHZWJD-QFIPXVFZSA-N 345.442 5.072 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccccc1Br 587623240 BAKVTNRDELIFLX-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccccn3)c2c1 587644186 PHZYOLGWGIHIKU-KRWDZBQOSA-N 340.470 6.719 0 1 EKAF c1ccc(-c2ccccc2Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 587958713 HRAIMPNDGWJSFV-UHFFFAOYSA-N 338.454 5.700 0 1 EKAF CC/C(=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(C)cc1 587969082 YTUAMWGZCYLACQ-PTNGSMBKSA-N 346.409 5.147 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(F)c2)n1 653775415 SGXCMVCBFISAHM-LJQANCHMSA-N 333.410 5.081 0 1 EKAF COc1ccc(-c2nc3ccccc3n2-c2ccc(C(C)C)cc2)cc1 1772642611 BYACLEULUJCHRL-UHFFFAOYSA-N 342.442 5.825 0 1 EKAF C[C@@H](O)CCCCCCCCCCCC/C=C\CCCC(=O)O 1857586925 JUPRDUYCJGOWIW-LEVJEWGPSA-N 326.521 5.860 0 1 EKAF COc1ccc(CN2CCC[C@H](C)C2)cc1-c1cccc(Cl)c1 1857601300 WXTKZPYCIMNDEU-HNNXBMFYSA-N 329.871 5.248 0 1 EKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1c[nH]c(=N)s1 1857635372 BYPCXKNAGQIZCB-UHFFFAOYSA-N 349.484 5.322 0 1 EKAF CC(C)=C/C(=C(\C(=O)N1CCCC1)c1ccccc1)c1ccccc1 3604949 HBZWUKTXTPVZGA-QURGRASLSA-N 331.459 5.186 0 1 EKAF Cc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5930905 VZYVBWKYOIUGSB-UHFFFAOYSA-N 325.626 5.353 0 1 EKAF C1=C2/CC[C@H](Sc3ccccc3)[C@@H]2C2(CCCCC/1)OCCO2 6575519 IFZRGLLWHBHOTE-HCBUIAKMSA-N 330.493 5.191 0 1 EKAF CC1(C)O[C@H](C(F)(F)F)Nc2ccc(-c3cccc(Cl)c3)cc21 13439583 WCLGFCXIOBIRSU-OAHLLOKOSA-N 341.760 5.573 0 1 EKAF O=C([C@H]1C[C@@H]1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 43020413 QZBYSJNCNQZJAB-AESUNOQTSA-N 331.459 5.124 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@](C)(O)c1ccc(C(C)(C)C)cc1 49111780 QJUKQGRCPPAPND-ABQKOSDSSA-N 326.524 6.130 0 1 EKAF COc1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1 73296270 ZJBJCXOJEOKRHB-SDNWHVSQSA-N 332.447 5.832 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCC 169314869 XFTXDUUQZWTDSQ-NKXWDUBDSA-N 346.559 6.061 0 1 EKAF Cc1c(Br)ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885884 XIVQBNYVSYSICF-ZVZLLHMNSA-N 345.284 5.102 0 1 EKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)cc(F)c4[nH]3)c(Cl)c2c1 587175217 SNEKCHRETDEPPO-UHFFFAOYSA-N 338.144 5.296 0 1 EKAF COc1cccc(-c2cc([C@@H](C)N=O)nc3c2oc2ccccc23)c1 587360575 PAZILTIZBMYKNB-GFCCVEGCSA-N 332.359 5.484 0 1 EKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587625946 ADZXXTGQCJAUTO-NSHDSACASA-N 336.863 5.278 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2c(C(=O)O)cccc12 587637382 HUBXANWINQTYJX-UHFFFAOYSA-N 345.373 5.648 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(F)cc2[nH]1 587957704 QJPXFPJQLSUATG-UHFFFAOYSA-N 348.462 5.620 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Cl 587959864 RJNDHQYQLZADGQ-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF Cc1cc2c(cc1F)[C@H](c1ccc(Cl)cc1C(F)(F)F)NCC2 962093841 QFJQQTGGCQXTCK-INIZCTEOSA-N 343.751 5.041 0 1 EKAF CCCC[C@H](CC)[C@@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962095824 XPNZBMORUMEYPB-AVRDEDQJSA-N 340.486 5.135 0 1 EKAF CC(=CCC[C@@H](C)CC(=O)O)CCCc1coc(Cc2ccoc2)c1 2356589477 ZHCWVWHUMIPRDH-QGZVFWFLSA-N 344.451 5.623 0 1 EKAF COc1ccccc1CN[C@H]1CCC12CCC(c1ccccc1)CC2 205707688 IJQPPOKJGMBBOX-UTCTYZAISA-N 335.491 5.291 0 3 EKAF CC(C)(C)c1ccc(Cn2c(N)nc3cc(Cl)c(Cl)cc32)cc1 5834060 CJDUEHKMZDFLBE-UHFFFAOYSA-N 348.277 5.271 0 1 EKAF Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1 27728985 UUCRTNYYUCNASU-UHFFFAOYSA-N 336.866 6.445 0 1 EKAF O=C(O)Cc1cc(Cl)ccc1Oc1cc(Cl)ccc1Cl 28766273 GYIJBLVLFITDJQ-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF CCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21 95559752 KGXJBLWHKBDEOZ-UHFFFAOYSA-N 347.845 6.089 0 1 EKAF CC(=C(c1ccccc1)c1ccccc1)c1ccc([S@@](C)(=N)=O)cc1 103019639 BWPGPZMWVQLQMJ-VWLOTQADSA-N 347.483 5.701 0 1 EKAF CC(=O)O[C@@H]1/C=C(\C)CC[C@@](C)(CCC=C(C)C)[C@@H]2C[C@H]2[C@](C)(O)C1 238776867 LQNQQEXNXLBURL-FTWWWWHXSA-N 348.527 5.188 0 1 EKAF Cc1cc(F)c2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2c1 587011099 GOZBDMDFHVWYHZ-UHFFFAOYSA-N 337.423 5.033 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3ccccc3cc2[nH]1 587061675 HJWINMCTJXTVKM-GOSISDBHSA-N 336.822 5.900 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2cccc(C(F)(F)F)c2[nH]1 587156307 TXLCYNNDRWXCQA-ZDUSSCGKSA-N 338.304 5.251 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]3c3ccccc3)nc3cccc1c23 587207912 ONBJBCOCSWEGOZ-VQTJNVASSA-N 347.417 5.717 0 1 EKAF Nc1sc(-c2ccccc2)cc1-c1cc2c3c(cccc3n1)CC2 587217554 XDJJRQJBWJRRFZ-UHFFFAOYSA-N 328.440 5.311 0 1 EKAF COc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1NC(C)C 587631482 NQAIDMMCPRVSJN-UHFFFAOYSA-N 332.806 5.456 0 1 EKAF COc1ccc(C2(c3nc4cc(C)cc(C)c4[nH]3)CC3(CCC3)C2)cc1 587936597 VOYBZWRXLBJING-UHFFFAOYSA-N 346.474 5.439 0 1 EKAF CCCCC[C@@]1(C(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962697793 IAIHRKUSZWPEKJ-LAUBAEHRSA-N 349.559 5.621 0 1 EKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CC1CCC1)c1ccccc1 963109525 UZIUSXXTZKVCDH-JTHBVZDNSA-N 335.466 5.280 0 1 EKAF CC(=CCC[C@@]1(C)C=Cc2cc(O)c(C)cc2O1)Cc1cc(C)co1 2356611400 VSUOGDPUZWQBKJ-QFIPXVFZSA-N 338.447 5.736 0 1 EKAF CC(=CCCC1=Cc2c(O)cc(C)cc2O[C@@H]1C)CC(=O)CC(C)C 2356862829 UNTQJRZKAWYOEP-QGZVFWFLSA-N 342.479 5.597 0 1 EKAF CC(C)(C)c1ccc([C@@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1 61904015 KAIRZPMRXDXOLY-GOSISDBHSA-N 340.854 5.109 0 3 EKAF O=C(C[C@H](C(=O)c1ccsc1)c1cccs1)c1ccccc1 6578563 FBUUQQWJACMNKO-HNNXBMFYSA-N 326.442 5.049 0 1 EKAF CCC[C@H]1Cc2cc(OC)ccc2-c2c(C=O)c3ccc(OC)cc3n21 13606357 RQMFOHOQRSYMAX-HNNXBMFYSA-N 349.430 5.035 0 1 EKAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCCC3)cc1 13606854 YHWOIWRKZSFZLR-XNTDXEJSSA-N 333.475 5.515 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3 24611256 HISNBUNMDWGCPZ-UHFFFAOYSA-N 340.264 5.628 0 1 EKAF CN1CCC[C@@H](CN2c3ccccc3Sc3cc(Cl)ccc32)C1 28821633 HUTMXSAVJKSLCI-CQSZACIVSA-N 344.911 5.285 0 1 EKAF C/C=C(\C)CC(=C/C(=O)O)/C=C(C)/C=C1\CCCC(CC)=C1C(C)C 36241970 WYHSHAGPFOUSAQ-LUYUSAMYSA-N 342.523 6.773 0 1 EKAF CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C/[C@]12C[C@@]1(C)CCCC2(C)C 169301601 ZQAZXAXJQNKOAF-AKJAGRAASA-N 342.523 6.161 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)c(F)cc2[nH]1 586878044 AMBSYXCZPBCPII-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586879992 ASXGFPWDUVUMFB-UHFFFAOYSA-N 348.368 5.816 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092203 OBOOCHIJXUVHNH-UHFFFAOYSA-N 337.345 5.010 0 1 EKAF Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095451 ZLRHFMWOYUVBIM-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587096844 LBSQOPKHVAFWCA-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1C 587150874 UJMTVKBIQJYOSB-NRFANRHFSA-N 345.421 5.520 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587208119 ZGHKURCOEBOABU-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF O=C(c1ccc(Cc2ccccc2)cc1)c1coc2ccc(Cl)cc12 587278682 RBXXKRKLMBLCIU-UHFFFAOYSA-N 346.813 5.908 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587930774 PRHPGUNGKOCCPU-OPAMFIHVSA-N 334.463 5.314 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)c(C)cc4[nH]3)ccc2c1 587934221 FDCAUKLRNYRWSL-CQSZACIVSA-N 346.430 5.194 0 1 EKAF C[C@@]12C=C(C=Cc3ccccc3)[C@@](C)(C1)[C@@H](c1ccccc1)CC2=O 1857623088 LGLMIMABSGWABG-GMKZXUHWSA-N 328.455 5.799 0 1 EKAF CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=S 1857753454 HNPRFWJDWOXQLH-INIZCTEOSA-N 334.916 5.487 0 1 EKAF CC(=O)O[C@@H]1OCC2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H]21 2356313359 WTNWTMNADOABGR-GFRNBQLOSA-N 346.511 5.577 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100322721 OCAXFDULERPAJM-SBHAEUEKSA-N 341.882 5.071 0 3 EKAF in-vitro CCCC[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 7991738 IZVYKSOTNOCYLS-HFTRVMKXSA-N 331.843 5.230 0 1 EKAF aggregator COc1cccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3 13757626 PBBOPFQFJAEPAI-OAQYLSRUSA-N 341.454 5.018 0 1 EKAF c1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1 13821062 VUYDJBYOJKYWBY-UHFFFAOYSA-N 328.419 5.512 0 1 EKAF C[C@H](Nc1ncc(-c2ccc3ccccc3c2)n1C)c1ccccc1 29325769 NLEYRBZBSXZMBO-INIZCTEOSA-N 327.431 5.413 0 1 EKAF CC(C)(C)c1cc(C(=O)n2ccc3cc(N)ccc32)cc(C(C)(C)C)c1 40566791 MZMUEOHBYRBDDR-UHFFFAOYSA-N 348.490 5.507 0 1 EKAF Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1 66079163 BJIZSNKTBYAOCG-RXOYHEDQSA-N 347.502 5.082 0 1 EKAF CC(C)(C)CC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 96172283 YSFJOBVLRHRNLH-YADHBBJMSA-N 335.491 5.050 0 1 EKAF CC(C)CC[C@H]1S[C@@H](CCC(C)C)S[C@@H](CCC(C)C)S1 100950574 NTXLGTSNINCLPB-UYQNGYJDSA-N 348.687 7.487 0 1 EKAF C[C@@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCCC3 147122192 PPHTUZSVUNCAJF-LBPRGKRZSA-N 345.273 5.831 0 1 EKAF Fc1ccc(COc2ccc(CNC3CCCC3)cc2Cl)cc1 169326401 RVAFYVRYWFXUHJ-UHFFFAOYSA-N 333.834 5.090 0 1 EKAF CCCCC/C=C\CCCCCCCC(=O)c1c(O)cc(O)cc1O 218914229 XCGABNXKJUDILN-SREVYHEPSA-N 348.483 5.853 0 1 EKAF CC(C)=CCC/C(=C/CC/C(C)=C/Cc1cc(O)ccc1O)C(=O)O 238736753 GUUYAYWHUNNGTK-LNCUELKESA-N 344.451 5.124 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(O)cc3)n2)cc1 473135868 USAPTTCSMSUUIH-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF C[C@]1(c2cc3cc(F)ccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587511010 ZTSBSWLHACLZCG-JOCHJYFZSA-N 349.405 5.066 0 1 EKAF CCc1ccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2c1 587935232 RAGJBLSQROVPRA-CQSZACIVSA-N 330.431 5.439 0 1 EKAF CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 1857569750 PUVVGIGIGIJDPB-IAGOWNOFSA-N 328.496 6.081 0 1 EKAF CCCCCc1cc(O)c([C@H](O)C[C@H](C)CCC=C(C)C)c(O)c1 2356551406 FBGKSDGGQKSQAK-SJLPKXTDSA-N 334.500 5.637 0 1 EKAF Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)cc1 61921472 ZVLSDDQOXHTFOK-UHFFFAOYSA-N 346.861 5.862 0 3 EKAF COc1cc(Nc2ncc(-c3ccccc3C)o2)ccc1-c1cnco1 3594956 XOSKMGZJNRRPJA-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF Cc1ccc(Nc2nc(-c3cc(Cl)c(Cl)s3)cs2)nc1 13141334 DCHHIJQHMNHNMU-UHFFFAOYSA-N 342.276 5.625 0 1 EKAF c1ccc(CC2CCN(C[C@@H]3CCCc4ccccc4C3)CC2)cc1 13607190 BPMOOEDLDRJAKW-JOCHJYFZSA-N 333.519 5.136 0 1 EKAF CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 27719619 HGGVUZHIUHCATB-OOUGZNGESA-N 338.491 6.026 0 1 EKAF in-vitro C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 40395602 RKUCXCRONYMREG-VOTSOKGWSA-N 331.222 5.248 0 1 EKAF Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1 66079167 BJIZSNKTBYAOCG-VSYWRSJOSA-N 347.502 5.082 0 1 EKAF O=C(C[C@@H](Sc1ccccc1)c1ccco1)c1ccccc1Cl 103168704 CKOONGZRHDJGGL-LJQANCHMSA-N 342.847 6.039 0 1 EKAF CC(C)c1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 141265904 NLZYTUVWUDMOHY-UHFFFAOYSA-N 336.387 5.347 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586882938 DABSURQRVDQXBW-UHFFFAOYSA-N 327.309 5.105 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(F)ccc2[nH]1 587066912 VNVKEHDNGMNVKL-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)C12CC3CC(CC(C3)C1)C2 587214637 VNCPWBQYBLMJJL-RGHJJJJLSA-N 345.486 5.222 0 1 EKAF O=C(c1coc2ccccc12)[C@@H](Sc1ccccc1)c1ccccc1 587280998 NKXVWRDBOPNWFS-QFIPXVFZSA-N 344.435 6.149 0 1 EKAF O=C1CC2(CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587503538 HNQFMZDVHAMXBE-UHFFFAOYSA-N 338.369 5.022 0 1 EKAF O=C1C[C@@H](c2ccc(C(F)F)cc2)Oc2c1ccc1c2CCCC1 587505380 KOEXNHJOWFHVOM-SFHVURJKSA-N 328.358 5.210 0 1 EKAF CC(C)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533896 YISAEBHLZAOYOV-FQEVSTJZSA-N 326.461 5.144 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(C)c2c1 587643132 ZDYHJULBWUBHSR-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF Clc1cc(Cl)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587964739 HAGJHIMVDQVKIT-UHFFFAOYSA-N 333.262 5.709 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1 587966351 CROQOWXECMUCND-NBVRZTHBSA-N 346.474 6.292 0 1 EKAF CC(=O)O[C@@H]1C[C@]2(C)C(=C3CC=C(C)CC[C@@]31C)CC[C@@H]2C(C)C 2356397071 FTFLXFWZKWKBEX-GFRNBQLOSA-N 330.512 5.827 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCC[C@H](O)C(=O)O 2356462982 LMEGQFGNKLZNEC-UXHICEINSA-N 342.564 6.330 0 1 EKAF CCCCCC=CCC=CCC=CCCCCC=CCCC(=O)OC 2356741680 JXKCBSKPWHNCFL-UHFFFAOYSA-N 346.555 7.085 0 1 EKAF Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 13813980 TXDLAOFFCMWTRP-UHFFFAOYSA-N 340.422 6.052 0 3 EKAF aggregator Cc1cc(CCCOc2c(C)cc(-c3ccc(C)c(C)c3)cc2C)on1 28711019 DDAKZNBHTBXFDP-UHFFFAOYSA-N 349.474 5.895 0 1 EKAF O=C1c2cccn2-c2cccc(Cl)c2S[C@@H]1c1ccccc1 29223127 NMZYZIUWYURCDQ-QGZVFWFLSA-N 325.820 5.160 0 1 EKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3F)cc2)cc1 38149557 UGXJWTXKLFUPOE-UHFFFAOYSA-N 348.421 5.438 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O 62233085 CMIAQOJJEOLRAQ-VZRGJMDUSA-N 328.496 6.368 0 1 EKAF in-vitro Cc1ccccc1Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc12 72113095 CHWPGQPIBOVNNP-UHFFFAOYSA-N 347.368 5.627 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1 72184110 HNFXQYHDBDKWDZ-GOSISDBHSA-N 348.490 6.067 0 1 EKAF C[C@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1 73224210 CYEHQNDZHVQYCV-FQEVSTJZSA-N 348.534 5.324 0 1 EKAF CC(=O)O[C@@H]1CC/C(C)=C\CC/C(C)=C\C[C@@]2(C(C)C)CC[C@]1(C)O2 100060717 HVBACKJYWZTKCA-FXQLIYEYSA-N 348.527 5.739 0 1 EKAF in-vitro c1cc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)cnc2[nH]1 149462961 SYPDDRWCHZSHKA-UHFFFAOYSA-N 332.407 5.116 0 1 EKAF Oc1ccc(-c2cc(-c3ccccn3)c3c(n2)-c2ccccc2C3)cc1 473247173 ANVJNWNZYYTSDN-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(F)c3[nH]2)c1 586878567 KAZKJBBEHDJCLG-UHFFFAOYSA-N 344.389 5.217 0 1 EKAF Cc1cc(-c2nc3c(C)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878801 DSKMBVKXOAGBFB-UHFFFAOYSA-N 342.398 5.212 0 1 EKAF COc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(C(F)(F)F)c1 587098040 PEQQCNOJAXTMSS-UHFFFAOYSA-N 346.352 5.136 0 1 EKAF COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107093 NWYAHUJYIICKQG-UHFFFAOYSA-N 337.378 5.122 0 1 EKAF C[C@H]1c2ccccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206451 DDKAJOXWTMFDEU-ZDUSSCGKSA-N 333.390 5.578 0 1 EKAF COc1cccc(-c2c(CC(C)C)c(C)nc3c2oc2ccccc23)c1 587366188 UDXOOEKUJDKANY-UHFFFAOYSA-N 345.442 6.164 0 1 EKAF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587501450 ASEYLRUJURHNFO-NRFANRHFSA-N 340.850 5.408 0 1 EKAF Cc1cc2oc(-c3cc4ccccc4s3)cc(=O)c2cc1Cl 1857591929 IIAXZENNCCPVTH-UHFFFAOYSA-N 326.804 5.637 0 1 EKAF c1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1 1633406 UNWXUHPFCOSAFU-UHFFFAOYSA-N 334.469 5.651 0 1 EKAF CC(C)c1ccc(O[C@H](Cc2ccc3ccccc3c2)C(=O)O)cc1 13604732 UFLVUFJSNZVMCK-OAQYLSRUSA-N 334.415 5.038 0 1 EKAF CC[C@H](c1ccc(O)c(CCCOC)c1)[C@@H](CC)c1ccc(O)cc1 29399470 NSPUVVSLTLFNQS-LEWJYISDSA-N 342.479 5.364 0 1 EKAF Cc1cc(C)cc(COC[C@@H](O)C(c2ccccc2)c2ccccc2)c1 29556972 JPPUNFKZEZFACO-HSZRJFAPSA-N 346.470 5.013 0 1 EKAF Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 49792855 SDDPQRKDOGENES-RDPSFJRHSA-N 347.502 5.703 0 1 EKAF CCCCC[C@@](C)(O)CCC[C@H](CCCCCCC(=O)O)C(C)=O 59903441 BMOURHSOVAKOBH-AZUAARDMSA-N 342.520 5.118 0 1 EKAF Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1 72108729 WSJZCTDJZGZIAP-UHFFFAOYSA-N 334.810 5.330 0 1 EKAF O=C(Oc1cccc2oc(-c3ccccc3)cc12)c1ccc(Cl)cc1 96911048 YFLNSSJRHWOJFM-UHFFFAOYSA-N 348.785 5.972 0 1 EKAF CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(/C)c1oc(=O)c(C)c(O)c1C 105480349 IPVYZLACGWVYRC-LDHUZMSNSA-N 334.500 5.854 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586883773 NPGLFVPEXKAJPE-UHFFFAOYSA-N 344.311 5.849 0 1 EKAF CCCc1c(C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992793 ZTKMRGNCFORSND-UHFFFAOYSA-N 331.415 5.228 0 1 EKAF FC(F)(F)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037751 YCXAPDQBMZXIAA-ZDUSSCGKSA-N 340.395 5.022 0 1 EKAF Cc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587055560 VATAKNVCUCZTGH-AATRIKPKSA-N 337.637 6.002 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(C)(C)C)cc2[nH]1 587062273 QDJOQPQXAYLQLR-QGZVFWFLSA-N 342.870 6.044 0 1 EKAF CSc1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084836 HIDGJPMFGWORSQ-UHFFFAOYSA-N 325.824 5.153 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085360 PSQDVQVQLVEOJZ-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF Fc1cc(Cc2nc3ccc(Cl)cc3[nH]2)ccc1-c1ccccc1 587145685 NZCYHJAUNIMWLP-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF CCCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391583 SJGDYQNXPZOOGD-OAQYLSRUSA-N 348.446 5.039 0 1 EKAF CCSc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532098 LCTHVEKFWKBLSL-FQEVSTJZSA-N 338.472 5.384 0 1 EKAF CC(C)(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533510 WNTFGAOEXJTFIA-QGZVFWFLSA-N 340.488 5.631 0 1 EKAF CCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598530 BLHQZLVGZMMCLX-WIYYLYMNSA-N 340.419 5.083 0 1 EKAF c1ccc(-c2cccc(Cc3nc4cc5ccccc5cc4[nH]3)c2)cc1 587960535 DIZAONYKAPRQHZ-UHFFFAOYSA-N 334.422 5.974 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(F)cc1)C(C)(C)C 963236139 XMYCWHMZNKYKOO-GAJHUEQPSA-N 339.498 5.772 0 1 EKAF O=C(O)c1ccc(COc2cc3c(cc2-c2ccccc2)CCC3)cc1 1857550653 IQAYHPJNQXWKTD-UHFFFAOYSA-N 344.410 5.120 0 1 EKAF CC(C)=CC[C@@H]1C[C@@H](CC=C(C)C)C(C)(C)[C@H](C(=O)C(C)C)C1=O 2356489989 RSIDASPVNMMKMN-GUDVDZBRSA-N 332.528 5.772 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1 3746068 SXYZSEBBAWAKQU-LBPRGKRZSA-N 325.383 5.115 0 1 EKAF CC[C@H](C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 13493469 DDXKWKGIBLVYQU-SFHVURJKSA-N 340.898 5.190 0 1 EKAF Cc1cc(C)c(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c(C)c1 13604830 YZSMSWWZOOABFQ-QFIPXVFZSA-N 340.463 5.200 0 1 EKAF CC(C)c1ccc(O[C@@H](C(=O)O)[C@H](C)c2ccc(Cl)cc2)cc1 13604904 RHJPGUNXIJGGHN-FZKQIMNGSA-N 332.827 5.099 0 1 EKAF 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348.446 5.915 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC)(C1CCCCC1)CC2=O 587489244 NRSGWZNCIDRZEY-OAQYLSRUSA-N 330.468 5.429 0 1 EKAF CCCn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510629 BSRQJLVFEFCDLX-OAQYLSRUSA-N 337.463 5.100 0 1 EKAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(Cl)cc1Cl 587633229 VZCWWWCHENHVFE-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(F)c(F)c4[nH]3)ccc2c1 587934686 MKCFCAMGPYVBBS-LLVKDONJSA-N 338.357 5.155 0 1 EKAF Cc1cc2c(cc1F)[C@@H](c1sccc1Oc1ccccc1)NCC2 962296714 HDVXWKUOTKCGRF-IBGZPJMESA-N 339.435 5.223 0 1 EKAF CCCC[C@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962661954 IPSLXYZECQXABJ-XUZZJYLKSA-N 333.519 6.075 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)nc3c2Cc2ccccc2-3)c1 1772576348 NYHVEKBEFANJKL-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF C=CC1=CC[C@@H]2[C@H](C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]1C 2356411103 HYHIOWBLMCOLTB-QHMWIQTFSA-N 330.512 5.539 0 1 EKAF C=CC(C)=CC=C[C@](C)(C[C@@H](C=C(C)C)OC(=O)C(C)=CC)OC 2356645166 HMWSUTVUCYCWMI-TZIWHRDSSA-N 332.484 5.314 0 1 EKAF O[C@H](c1ccc(F)cc1)c1nc(-c2csc3ccccc23)cs1 61928894 PLMJEHCCIKQTGU-QGZVFWFLSA-N 341.432 5.246 0 3 EKAF C1=C/CCCCN(CCc2nccc3c2[nH]c2ccccc23)CCCC/1 24783 LUYZVPNPJGYOIP-OWOJBTEDSA-N 347.506 5.471 0 1 EKAF Cc1cccc(-c2nc(NCCC3=CCCCC3)c3ccccc3n2)c1 109516 VPZWMIYWWBNLQA-UHFFFAOYSA-N 343.474 5.908 0 1 EKAF CCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671461 MBUCBKWHVREBFB-VQZJJIPLSA-N 332.528 5.393 0 1 EKAF CCCCCCN1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1 25965741 IXWSQWDWBZOAFH-ZEQRLZLVSA-N 348.534 5.071 0 1 EKAF COc1ccc2cc(-c3cccnc3)ccc2c1-c1ccc(F)cc1 28979163 JAOKDIXGGYOEQU-UHFFFAOYSA-N 329.374 5.717 0 1 EKAF Clc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40862233 AZGVHXKCDAYGAE-GOSISDBHSA-N 347.245 5.400 0 1 EKAF O=c1oc(-c2ccccc2)cc(-c2ccc(O)cc2)c1-c1ccccc1 40972686 WXDCJBAEDCDTGX-UHFFFAOYSA-N 340.378 5.346 0 1 EKAF COc1ccc(C(=O)[C@]2(C)C=C(c3ccc(OC)cc3)[C@@H](C)C2)cc1 66167238 ZEAIBWYHGRCZBA-NYHFZMIOSA-N 336.431 5.016 0 1 EKAF 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CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C)c3C)c2c1 587643864 YDFSHAOXJOZMIG-CYBMUJFWSA-N 334.463 5.859 0 1 EKAF CCC(CC)(CC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818777 JLQRIACTWYVTJT-MEDUHNTESA-N 342.296 5.380 0 1 EKAF Clc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587950701 UDOHKDNDZWAOGH-JLHYYAGUSA-N 346.817 6.179 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)C1 587968890 HUMPMZFBKHHXBZ-NXEZZACHSA-N 339.252 5.394 0 1 EKAF CC(C)CN(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccccc1 653843546 ZFRQCSMTENKNSP-XMMPIXPASA-N 347.502 5.422 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1nc2ccc(F)cc2s1 963223711 DAPCTTOOFKGWOK-BFUOFWGJSA-N 340.467 5.181 0 1 EKAF C[C@@H](NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)C1CCCCC1 1772650760 LMNAMZMOYUNMMH-SNVBAGLBSA-N 339.266 5.173 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCc1nnc(S)n1N 1857634492 ZVAKZSWRKFBCSE-PDBXOOCHSA-N 348.560 5.023 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)c(C)cc2O1 2356649059 XTZOEHVCSSYKTB-QFIPXVFZSA-N 326.480 6.338 0 1 EKAF O=C(OCc1ccccc1)N1C=C[C@H]2C[C@H]1c1c(Cl)cccc12 102829573 XELSDQWBSMOHJJ-YOEHRIQHSA-N 325.795 5.035 0 3 EKAF CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccccc12 8138 KVWYMXMHIPUYMW-UHFFFAOYSA-N 340.492 5.088 0 1 EKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)ssc2=S)cc1 40421617 NOFWNDHYSVTSHA-UHFFFAOYSA-N 334.918 6.835 0 1 EKAF Nc1scc(-c2ccccc2F)c1C(=O)c1ccc(Cl)cc1 42923949 QGNGZZLMYLWBBM-UHFFFAOYSA-N 331.799 5.021 0 1 EKAF CCC[C@H]1OC2(CCN([C@H](C)c3ccccc3)CC2)c2ccccc21 66259215 HXQCSQKANKJRHG-XMSQKQJNSA-N 335.491 5.610 0 1 EKAF CC(C)(C)c1ccc(-c2cc(NCc3ccc(F)cc3)ncn2)cc1 82160762 WOOMMCFRCSYLLV-UHFFFAOYSA-N 335.426 5.192 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)cc1 473135453 PWHCHZWFGIPUKE-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF Cc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586989581 BTEFOBHCPUONOG-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF C[C@H]1CCc2sc(-c3nc4cc(Br)ccc4[nH]3)cc2C1 587034178 QFYGPRDVLBSYLA-VIFPVBQESA-N 347.281 5.179 0 1 EKAF Clc1ccc(-n2cccc2)cc1-c1nc2cnc3ccccc3c2[nH]1 587052856 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EKAF c1ccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)cc1 72178401 VKMAJPVPLKHIRB-UHFFFAOYSA-N 325.367 5.568 0 1 EKAF CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\[C@@]12C[C@@]1(C)CCCC2(C)C 100768932 ZQAZXAXJQNKOAF-FCMMSQECSA-N 342.523 6.161 0 1 EKAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N=N1 253648810 XFRVTPWXXZOYFP-ZSXPZZPQSA-N 328.500 5.108 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@@H](C)C(=O)O 257457315 JQTZSEREVATIFK-LWYYNNOASA-N 326.565 6.782 0 1 EKAF endogenous,in-man CN(C(=N)Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 299832012 JORSWMGATUBEQI-UHFFFAOYSA-N 343.352 5.342 0 1 EKAF c1ccc2cc(OCCCOc3ccc(-n4cccc4)cc3)ccc2c1 473114372 NFKWJPJRJHEQEN-UHFFFAOYSA-N 343.426 5.478 0 1 EKAF Cc1cc(Cl)cc2nc(CCCCCCCCCCCO)[nH]c12 586894516 JOFPUMUAWVKJIT-UHFFFAOYSA-N 336.907 5.570 0 1 EKAF C[C@H]1CCc2sc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2C1 587034277 RMBDNFPPCCIDAB-QMMMGPOBSA-N 337.275 5.723 0 1 EKAF Clc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587051017 RJBRDHPYHCKTBQ-JGVFFNPUSA-N 338.625 5.189 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1O 587206079 GUUJZJDQAGSDCH-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CC(C)[C@@]1(C)Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206509 FADYBHYRFZDSHK-HSZRJFAPSA-N 327.427 5.207 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(C)C)[C@H](C)C1)CC2=O 587483644 RGVKPPFRPWVBBF-PZPWOCDFSA-N 330.468 5.141 0 1 EKAF Cc1ccc(C[C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524683 PSWWSZAMFRYAPW-XMMPIXPASA-N 348.486 5.477 0 1 EKAF CCCCC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587526031 PTDJZVRBOWEQIE-UHFFFAOYSA-N 326.480 5.650 0 1 EKAF Cc1ccc(Nc2ccc3c(c2)[C@@H](CC2CCCCC2)C(=O)N3)cc1 1857539558 YJMKZVPIRHWEFJ-HXUWFJFHSA-N 334.463 5.745 0 1 EKAF CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356557490 QJNGVAWIYOINJU-URVIMVHSSA-N 346.555 5.375 0 1 EKAF C1=C2CC[C@H](Sc3ccccc3)[C@@H]2C2(CCCCC1)OCCO2 3589374 IFZRGLLWHBHOTE-RBUKOAKNSA-N 330.493 5.191 0 1 EKAF CCC1=C[C@H]2Cc3nc4cc(Cl)cc(Cl)c4c(N)c3[C@@H](C1)C2 13835514 RSDNICWRHUAZOZ-MNOVXSKESA-N 333.262 5.510 0 1 EKAF Oc1ccccc1Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc12 72114357 LNPDCWSVFDPRPD-UHFFFAOYSA-N 349.340 5.024 0 1 EKAF CC/C(C)=C\C(=O)OCc1c(C)coc1Cc1cccc(C)c1C 238730929 AUUABIKYBWIYMZ-UVTDQMKNSA-N 326.436 5.195 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)CC/C=C(\C)C[C@H](O)[C@@H]12 238769662 MHVGGXRUWKWUJE-ZEWQPTNTSA-N 348.527 5.044 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)C[C@@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 299806601 BYNSHSWWZXSBTC-BGJURXJTSA-N 346.511 5.060 0 1 EKAF Cc1ccc2c(ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c32)n1 587131593 PIDUGWYHJYVVLP-UHFFFAOYSA-N 349.384 5.301 0 1 EKAF CCc1c([C@H](CC)Sc2ccoc2C)nc2cccc3c2c1CC3 587217129 TZUVLLCNNRGWES-SFHVURJKSA-N 337.488 6.041 0 1 EKAF CC1=C(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(C)(C)CCC1 587404827 ZVTGHMPCRDSJOY-JOCHJYFZSA-N 341.495 5.608 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCCC13CCCCC3)CC2=O 587482566 OSONFIRADVXVME-JOCHJYFZSA-N 342.479 5.573 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccc(C)cc3c1C)CC2=O 587487932 ZFWRZCYXLBJXBD-FQEVSTJZSA-N 349.430 5.149 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](c1ccccc1)C(C)C)CC2=O 587487985 HIULOVIIUCMKDN-NHCUHLMSSA-N 338.447 5.118 0 1 EKAF Cc1c(F)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949431 GPAFPSXISRWOGP-KAMYIIQDSA-N 344.389 5.973 0 1 EKAF Cc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1C 587956076 RZXPUCNMFWUBNQ-FQEVSTJZSA-N 326.443 5.554 0 1 EKAF CSc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956114 URGDKYUCHWEJIN-IBGZPJMESA-N 344.483 5.659 0 1 EKAF CC[C@@H]1CCC[C@H]([C@H]2c3ccsc3CCN2Cc2ccco2)C1 962709771 OLPOMZYIRCJGJY-GUXCAODWSA-N 329.509 5.657 0 1 EKAF c1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc43)cc2)cc1 1857538145 AJSSDVOBENTWGF-UHFFFAOYSA-N 349.457 5.179 0 1 EKAF CC(C)CC[C@@H]1C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857560953 IMISRKLLHXNIPO-INIZCTEOSA-N 328.843 5.556 0 1 EKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)CC(C)(C)C1 1857775032 NLJWGMYYULUAFJ-GHMZBOCLSA-N 336.888 5.351 0 1 EKAF COc1cc2c(cc1O)C=C1[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]13C)O2 2356787581 BMXHGVBOLARWGS-COPCDDAFSA-N 342.479 5.562 0 1 EKAF C1=C2c3ccc4ccccc4c3OC[C@@H]2Oc2ccc3ccccc3c21 2356853757 RIXYWKOPWKUPCC-QHCPKHFHSA-N 336.390 5.687 0 1 EKAF CCCCC/C=C\C/C=C\[C@@H]1C[C@H]1/C=C\C/C=C\CCCC(=O)O 26504749 LCADNUHZEHTMSG-SVIZCTSPSA-N 330.512 6.463 0 1 EKAF Cc1c(-c2ccc(O)cc2)n(CC2CCCCC2)c2ccc(O)cc12 28767213 JQTCVVSEIIMLAT-UHFFFAOYSA-N 335.447 5.608 0 1 EKAF CC1(C)[C@H]2CC[C@@H](CNCc3coc(-c4ccc(Cl)cc4)n3)[C@@H]1C2 72101937 GPQXSQRDHNWABO-MPGHIAIKSA-N 344.886 5.157 0 1 EKAF CC(C)n1cncc1-c1cccc(OCc2cccc(Cl)c2)c1 103199984 IDCBRBAPUKRUKI-UHFFFAOYSA-N 326.827 5.363 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2F)nn1 103292454 JYOAZFSSNZPKTH-UHFFFAOYSA-N 347.315 5.354 0 1 EKAF CCCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O 238787013 GJUNKDKCJGOYBV-ZSMRCIJJSA-N 330.512 6.773 0 1 EKAF Oc1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc2c1CCCC2 586899150 XCOGABIGMICSON-UHFFFAOYSA-N 333.218 5.121 0 1 EKAF CC1(C)C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1(C)C 586992072 TZFGGHVXYLDEMZ-UHFFFAOYSA-N 343.426 5.301 0 1 EKAF CSc1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587096970 FRNGYMKUDRJJEX-JTQLQIEISA-N 336.382 5.455 0 1 EKAF CC(=O)c1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 587099123 ALYBLEITCUFGFR-UHFFFAOYSA-N 329.399 5.081 0 1 EKAF CCc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114656 WUIVLZIWUFQXHO-GFCCVEGCSA-N 332.369 5.490 0 1 EKAF Cc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128708 NQNNHNLGXOGYCJ-UHFFFAOYSA-N 341.386 5.599 0 1 EKAF Fc1cc(Cc2nc3cc(Cl)ncc3[nH]2)ccc1-c1ccccc1 587145699 OOXILTUNSRGWCF-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587234474 GKWIHHCBJCAWPS-UHFFFAOYSA-N 333.822 5.592 0 1 EKAF O=C(C[C@H](C(=O)c1ccsc1)c1cccs1)c1ccsc1 6513146 QMKYTDYBKYHNRR-ZDUSSCGKSA-N 332.471 5.111 0 1 EKAF CC[C@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 13680028 ZZXFVSNDCYCIHM-VIFPVBQESA-N 333.840 5.129 0 1 EKAF O=C(O)CCCCCCc1cc(CCCc2ccccc2)cs1 26851149 IRDGBCBHZFINFP-UHFFFAOYSA-N 330.493 5.501 0 1 EKAF Oc1c(C2=NCCCCC2)c2ccccc2n1-c1cccc(Cl)c1 27517798 WEGJBUBPNAZGKG-UHFFFAOYSA-N 338.838 5.353 0 1 EKAF CSc1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 38853461 FFOVIUVZTYPAIB-MRXNPFEDSA-N 346.521 5.168 0 1 EKAF CCCCOc1ccc(CN[C@H](C)Cc2ccc(SC)cc2)cc1 40848028 ITKQKEKQFMGBAT-QGZVFWFLSA-N 343.536 5.308 0 1 EKAF O=C(CC[C@H]1CCc2ccccc2[C@@H]1c1ccccc1)N1CCCCC1 64516501 IGWDATJSMRPGKW-ZJSXRUAMSA-N 347.502 5.174 0 1 EKAF C1=C(CCNCc2ccc(N3CCCc4ccccc43)cc2)CCCC1 66251467 AARVZQPNWZBFDD-UHFFFAOYSA-N 346.518 5.751 0 1 EKAF CCCCc1ccc(-c2cc(NCc3ccc(C)cc3)ncn2)cc1 82160645 SPZPNYFHKBLYQL-UHFFFAOYSA-N 331.463 5.407 0 1 EKAF O=C1O/C(=C\c2ccc(-c3ccccc3)cc2)C=C1Cc1ccccc1 103222654 VXCPTQAQSZJYPK-KQWNVCNZSA-N 338.406 5.420 0 1 EKAF C[C@H](N=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169684326 ZSFUTQJVESUVEG-ZVPCKFNKSA-N 333.516 5.161 0 1 EKAF CCCC[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299867623 QKEJACMJNKZASB-YLGSBGTBSA-N 349.518 5.926 0 1 EKAF Fc1cc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc(F)c1F 587138284 FNCSQTIOXFIUMD-UHFFFAOYSA-N 345.151 5.072 0 1 EKAF Cc1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1C 587921316 VYPBOQSXFXRIMK-UHFFFAOYSA-N 333.378 6.113 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2F)(C2CC2)N1 962961238 TYIOQGFMVYBLCT-SBUREZEXSA-N 348.465 5.079 0 1 EKAF Cc1sc2c(c1C)CCN[C@H]2c1ccc(Oc2ccccc2)cc1 963016478 ZCRDRDNUFGUXCS-FQEVSTJZSA-N 335.472 5.392 0 1 EKAF CN(C/C=C/c1cccc2ccccc12)Cc1coc2ccccc12 1772577707 KWVMUMIXCMIKEZ-YRNVUSSQSA-N 327.427 5.731 0 1 EKAF COC(=O)CCCCCCCC=CCCCCCCCC(=O)OC 2356746246 HGGLIXDRUINGBB-UHFFFAOYSA-N 340.504 5.350 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1cc2c(s1)CCCC2(C)C 26398025 QGSXXMWJBVHYFO-ACCUITESSA-N 326.461 5.621 0 1 EKAF Nc1scc(-c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 43119853 NDBLOFVCMFBGCT-UHFFFAOYSA-N 331.799 5.021 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@@H]4CC[C@H](C[C@H]3c3ccccc3)S4)on2)cc1 66111516 GGNBFDVFZAGDEV-JZZBYWGLSA-N 347.483 5.877 0 1 EKAF CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(Oc3ccccc3)c2)C1 84614703 HWQCYECTWACXDV-AVRDEDQJSA-N 339.479 5.468 0 1 EKAF Clc1ccc(Nc2nnc(-c3cc4ccccc4[nH]3)s2)cc1 84669627 KKQWNWZHFCRSTK-UHFFFAOYSA-N 326.812 5.083 0 1 EKAF C[C@@]12C=C(/C=C\c3ccccc3)[C@@](C)(C1)[C@@H](c1ccccc1)CC2=O 169355578 LGLMIMABSGWABG-SBNGKLCSSA-N 328.455 5.799 0 1 EKAF c1cc(-n2c3ccccc3c3ccncc32)c2c(c1)[nH]c1cnccc12 238771883 XRWCXNZQQGAPTE-UHFFFAOYSA-N 334.382 5.208 0 1 EKAF CCCC/C=C/C/C=C\CCCCCCc1cccc(OC)c1OC 238782388 QKVPVZPGUUHBMD-LFOHPMNASA-N 344.539 6.890 0 1 EKAF COc1ccc2c3ccn(Cc4ccc(Cl)cc4)c(C)c-3nc2c1 473121818 HBULLRHIUADVRH-UHFFFAOYSA-N 336.822 5.160 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 586882039 RQAMLVXVSKWLMU-UHFFFAOYSA-N 333.357 5.331 0 1 EKAF c1ccc(Oc2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884955 RTXARCHONMBZBU-QQVQHEQESA-N 344.458 5.823 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586885745 ABJBBRKYYJCIJW-ISVAXAHUSA-N 347.178 5.248 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)CC(C)(C)C4)-c1ccccc1C2=O 587100030 DTVRREQMQSWIKI-AWEZNQCLSA-N 341.454 5.831 0 1 EKAF Cc1nc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc1C 587207114 BMJDBWULWZREOQ-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(C)c1Cl)CC2=O 587466934 QTBRLWSMODYBDN-MRXNPFEDSA-N 348.801 5.152 0 1 EKAF Fc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1F 587922704 XBEYHIXWIHEUCK-UHFFFAOYSA-N 342.292 5.169 0 1 EKAF CCC=CCC=CCC=CCC=CCCC(=O)CCN(CC)CC 2356649258 GVZKQHNBCPTDAJ-UHFFFAOYSA-N 331.544 5.873 0 1 EKAF Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl 13553762 FWGUHPYSEBGSIU-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF CC(C)=CCC[C@@]1(C)C=Cc2c(CCc3ccccc3)cc(O)cc2O1 14490555 BJWKGFBYJPLIQS-DEOSSOPVSA-N 348.486 6.088 0 1 EKAF biogenic CCCCCOc1cc2ccnc(C(=O)c3ccccc3)c2cc1OC 27557921 JSRLYDXZQLCEFZ-UHFFFAOYSA-N 349.430 5.043 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CO)CCCC(=O)O 40505151 FLETVOYHEXEYPG-NMSFOHICSA-N 334.500 5.435 0 1 EKAF CCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21 42966384 NDMJIRUJOQIHLL-UHFFFAOYSA-N 341.454 5.998 0 1 EKAF Cc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)O)cc2)c1C(C)C 71294956 UJLALSFRZGXQFZ-UHFFFAOYSA-N 347.418 5.017 0 1 EKAF CC(C)(C)c1ccc(-c2nc(CNC3CCCCCC3)co2)cc1 72183220 HXPGIYFTZVFNND-UHFFFAOYSA-N 326.484 5.452 0 1 EKAF CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)OC 238738319 BBRHWQWHVYKTON-LIUPGZRDSA-N 332.484 5.052 0 1 EKAF CN1c2ccccc2[C@@H]2C=C(/C=C\c3ccc4ccccc4c3)C=C[C@H]21 253681371 ASCIXCTXNMXQCC-VTSKOVMASA-N 335.450 5.951 0 1 EKAF Cc1ccc2c(ccc3nc(-c4c(C)cccc4-c4ccccc4)[nH]c32)n1 586878096 BMBLBWIHYLQSEC-UHFFFAOYSA-N 349.437 6.062 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586886488 QAYOUIQZQOZUIQ-KBXCAEBGSA-N 346.327 5.092 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892792 WOKACFXCTPHUQE-FUXBKTLASA-N 347.178 5.248 0 1 EKAF CC[C@H]1CC[C@@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991117 IYSIHCOULVQQIE-OLZOCXBDSA-N 343.426 5.543 0 1 EKAF C(=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1)\c1ccsc1 587026601 VUGMILRBLPSDIX-TWGQIWQCSA-N 332.428 5.374 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587027759 JJZHLRKYVKQRRD-UHFFFAOYSA-N 349.246 5.297 0 1 EKAF CSc1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587096971 FRNGYMKUDRJJEX-SNVBAGLBSA-N 336.382 5.455 0 1 EKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C)cc4[nH]3)ccc2F)cc1 587139253 DWSVYXBUHBGMHS-UHFFFAOYSA-N 344.389 5.547 0 1 EKAF Cc1ccc(NC2(c3nc4cnc5ccccc5c4[nH]3)CCCC2)cc1 587236880 GXPHRZSRJLAVKA-UHFFFAOYSA-N 342.446 5.301 0 1 EKAF COc1ccc2sc(C(=O)c3coc4ccccc34)c(Cl)c2c1 587281170 ZROSBLZFUYQCBO-UHFFFAOYSA-N 342.803 5.541 0 1 EKAF CCO[C@@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366601 WWBYEEZDFMJNNA-GOSISDBHSA-N 345.398 5.290 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]c3ccccc13)CC2=O 587479724 AHZGOBFMRVOMGW-JOCHJYFZSA-N 349.430 5.097 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cn3)c2c1 587640657 HWEVSFGIRSRXJT-LLVKDONJSA-N 341.842 5.291 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(F)F)c2c1 587642013 LJRWGIQGMQTLIQ-LLVKDONJSA-N 345.393 5.013 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)F)c2c1 587643162 ZFXLVTXMYLUCKG-GFCCVEGCSA-N 345.364 6.093 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C(C)(C)C)cc2)N1 962962628 YFTCJCRUXYGLSV-HOYKHHGWSA-N 346.518 5.653 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@H]([C@H]1CCCCc3ccccc31)NCC2 963113187 VOMABHKDAMLUBB-PXNSSMCTSA-N 346.301 5.690 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc([C@@H]2CCCCO2)o1 963240608 KXFQUXCHDHVTEH-GTCCEBARSA-N 339.479 5.267 0 1 EKAF CCN(Cc1ccccc1)Cc1ccc(-c2nc3ccccc3o2)cc1 1857591727 AKTOHFPTHCOKBL-UHFFFAOYSA-N 342.442 5.517 0 1 EKAF CC(C)c1ccc(-c2ccc(NC3CCCCC3)c(C(N)=O)c2)cc1 1857633076 DAZIOIXLSQNRCO-UHFFFAOYSA-N 336.479 5.321 0 1 EKAF CC(C)=CCCC(C)=CCOc1cc(O)cc(O)c1C(=O)C(C)C 2356403687 RDVNGNVGNNWVTM-UHFFFAOYSA-N 332.440 5.008 0 1 EKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3[C@H](C)CC[C@@H]12 2356478926 YDDRLCGKYATUCE-XXOPLKFKSA-N 346.643 7.964 0 1 EKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 2356629311 ZLSUFAROARWHAD-IRNNPGBSSA-N 344.495 5.554 0 1 EKAF Cc1ccc(Cc2c(C3CCCCC3)nc3ccc(Cl)cn23)cc1 72138515 CGWNOGAQWRDTJM-UHFFFAOYSA-N 338.882 5.935 0 3 EKAF CCCN1CC[C@@H]2c3cc4ccccc4nc3[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 211060850 GHQALVWJILAFPS-KMMOIWBLSA-N 348.534 5.726 0 3 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2 13765606 RUDAUXBQLBAKOW-UHFFFAOYSA-N 340.419 5.118 0 1 EKAF biogenic,in-vitro CCCCCCn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 13833532 BRKLBGYURSSOSH-UHFFFAOYSA-N 347.506 5.227 0 1 EKAF COc1ccc2c3c(oc2c1CC=C(C)C)-c1ccc(O)cc1OC3 15115239 BYZVMAQRPFEPSV-UHFFFAOYSA-N 336.387 5.215 0 1 EKAF biogenic,in-vivo Cc1ccc(C(=O)[C@H]2C=C(c3ccc(C)cc3)S[C@@H]3C=CC[C@@H]32)cc1 17252452 UZPMSCYFVVIUEA-QHAWAJNXSA-N 346.495 5.835 0 1 EKAF Fc1ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n2c1 68198860 DLKJOGSCPKQKTQ-UHFFFAOYSA-N 343.833 5.538 0 1 EKAF CC(=O)O[C@]1(C)CC/C=C(/C)CC/C=C(/C)CC[C@@H]2C[C@H]1OC2(C)C 85668136 HRFZOWPZDZLMRV-GAOVBHDFSA-N 348.527 5.739 0 1 EKAF Cn1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccccc21 95563318 FGWOCLZHKUNUFA-OAQYLSRUSA-N 347.849 5.428 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccsc3)cc21 144723702 FHFWAGNKGYKNLG-KRWDZBQOSA-N 332.346 5.194 0 1 EKAF Cc1nc(NC(=O)CCC2CCCCC2)sc1Cc1ccccc1 299863666 LIKSSRXVMPSVQN-UHFFFAOYSA-N 342.508 5.341 0 1 EKAF Oc1c(Cl)cc(-c2cnccc2-c2ccc(F)cc2)cc1Cl 473087558 FWJNKYPUQRBACL-UHFFFAOYSA-N 334.177 5.567 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586891534 RLSLJQIHNPGEDV-TVQRCGJNSA-N 347.178 5.248 0 1 EKAF Fc1cc(F)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587047974 DDIAZSNEZCXRJX-IUCAKERBSA-N 339.172 5.419 0 1 EKAF Cc1c(F)ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587069402 JTCKXIHREQZHFS-SNVBAGLBSA-N 330.790 5.040 0 1 EKAF O=C(c1coc2ccccc12)[C@H](Sc1ccccc1)c1ccccc1 587280997 NKXVWRDBOPNWFS-JOCHJYFZSA-N 344.435 6.149 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC(F)(F)F)cc3)c2c1 587640071 BMKANWAMKLQIHJ-LBPRGKRZSA-N 347.380 6.555 0 1 EKAF Fc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783973 KJQRVGIVMYAIHH-SDNWHVSQSA-N 344.389 5.451 0 1 EKAF Cc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587951325 YMUQWOVFVJEXCL-OWBHPGMISA-N 326.399 5.834 0 1 EKAF Cc1c(O)cc(O)cc1CCCCCCCCCCCCC(C)C 2356340115 HPDJNGDPKFKPRN-UHFFFAOYSA-N 334.544 6.896 0 1 EKAF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356793626 KQWNYIGNELPPHS-SFGWALBWSA-N 342.479 5.432 0 1 EKAF Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1ccsc1 1861869 QXASDZSZSFDGGY-UHFFFAOYSA-N 327.499 6.211 0 1 EKAF CCOc1c(C(C)C)cc2ccc(C)c3c2c1O[C@@H](C=C(C)C)[C@@H]3O 14690317 OTUPBCGZQLZEQS-PXNSSMCTSA-N 340.463 5.431 0 1 EKAF biogenic Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@]1(C)CC[C@@H]2[C@H]1[C@H]4C2(C)C 14859659 YNDNDGLKKJXJED-LEJSXIJDSA-N 331.459 5.930 0 1 EKAF endogenous,in-man C[C@@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)C1CCCCC1 40434394 BQCAAQLKCYQZTH-TXTKFYIRSA-N 343.555 5.498 0 1 EKAF Cc1ccccc1OCc1ccccc1-c1nnc(-c2ccccc2)o1 64446767 UXLZQGUNACXHLN-UHFFFAOYSA-N 342.398 5.291 0 1 EKAF Cc1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 66104263 FRWQRGICJXEXCH-UHFFFAOYSA-N 345.324 5.206 0 1 EKAF C[C@H]1C[C@@H](C)O[C@@]12CC[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 103227113 XBTNMOPAIXKVGQ-MUBOZHMMSA-N 340.507 5.432 0 1 EKAF C(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccc2ccccc2c1 166812226 RWDBMDCJBPONOC-UXBLZVDNSA-N 347.421 5.949 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2C3)cc1 473247244 CFQISKHHVVABCQ-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CC/C=C\CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990821 HOYYNKBIGSYGQD-ARJAWSKDSA-N 343.426 5.441 0 1 EKAF CCCC[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099952 AYARHBKXAGZPMB-HNNXBMFYSA-N 341.454 5.975 0 1 EKAF CC[C@H](C)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366059 PRSFCZDKZVTBOD-HNNXBMFYSA-N 345.442 6.245 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC1CC1)(c1ccccc1)CC2=O 587490764 URNRZKGMJAJKEP-QFIPXVFZSA-N 336.431 5.006 0 1 EKAF C[C@H](C1CCCCC1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525276 RLEPXHATOKKKNV-QRQCRPRQSA-N 326.480 5.506 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(C)cc(F)c3[nH]2)cc1 587564618 MPGKFYKQXJKRPH-UHFFFAOYSA-N 326.415 5.277 0 1 EKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2Sc2nncs2)cc1 587634155 BPKIDKUAMDLJGY-UHFFFAOYSA-N 345.399 5.116 0 1 EKAF O=C(c1ccc(Cl)s1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634235 VOGTUVUVSXGHIV-UHFFFAOYSA-N 347.720 5.272 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cccc(Br)c3)c2c1 587638950 KPYOQELIFGGABZ-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C(F)(F)F)ccc3F)c(C)c2c1 587640238 GMWXBKKSJMZPLC-LLVKDONJSA-N 349.371 6.815 0 1 EKAF C[C@H](CC1CCCCC1)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962666820 LRNGBRWCAUKBAD-KOSHJBKYSA-N 333.519 6.147 0 1 EKAF CC[C@H](OC)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1 1857580127 TYOLBGAEDFHWIT-FQEVSTJZSA-N 337.419 5.327 0 1 EKAF COc1ccc(-c2nc(C3CCCCC3)c3cc(OC)ccc3n2)cc1 12726653 RTEVKHLRKJUXQU-UHFFFAOYSA-N 348.446 5.362 0 3 EKAF C/C=C(/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743076 ADPKGIMONMWKST-SWNXQHNESA-N 348.486 6.185 0 1 EKAF O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978952 AYQLRMNZMKEEKX-FCHUYYIVSA-N 343.426 5.154 0 1 EKAF CCC(CC)(c1ccc(O)cc1)C(CC)(CC)c1ccc(O)cc1 27985527 QXWJNRHSPDYKIR-UHFFFAOYSA-N 326.480 5.914 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OP(=O)(O)O)CCC[C@@]21C 28363370 QWULLKDMNZBLIE-DFBDCSAJSA-N 346.448 5.143 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@H](C(=O)O)c1cc2cc(O)ccc2o1 49088174 XZFXVBWSDABZIS-PSSQXEACSA-N 342.435 5.780 0 1 EKAF Clc1ccc(-c2ccc3[nH]c(-c4ccc5nc[nH]c5c4)nc3c2)cc1 66076593 HVJDYADFVSDVNQ-UHFFFAOYSA-N 344.805 5.427 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 72181520 ZWLVXRHTKNUQRZ-CYBMUJFWSA-N 340.389 5.419 0 1 EKAF CC(C)(C)c1ccc(CNCc2coc(-c3cccc(F)c3)n2)cc1 72183271 YJSLZCYMKQKRAT-UHFFFAOYSA-N 338.426 5.068 0 1 EKAF COc1ccc2c(CCCCN3[C@@H](C)CCC[C@H]3C)cccc2c1 95598697 JPNYXUQKRYPUHK-HDICACEKSA-N 325.496 5.434 0 1 EKAF CC(=O)O[C@H]1CC/C(C)=C/CC/C(C)=C/C=C(/C(C)C)CC[C@@H]1C 140515044 MMNOSRQYAMPCGC-MQOYFJTQSA-N 332.528 6.383 0 1 EKAF CSc1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898357 IBFIZPRQMRGFIK-UHFFFAOYSA-N 332.428 5.324 0 1 EKAF Cc1ccc(CSCCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 586971016 RNIFPXOZSYCMTN-UHFFFAOYSA-N 330.884 5.309 0 1 EKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc3c(c2[nH]1)CCCC3 587027636 YHHGXEYYNSJXTK-UHFFFAOYSA-N 349.459 5.057 0 1 EKAF COc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(C(F)(F)F)c1 587098048 PMTDGRHUJKQUGD-UHFFFAOYSA-N 344.695 5.050 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1C4)-c1ccccc1C2=O 587100626 MTDLTCGGWWTKEJ-UHFFFAOYSA-N 333.390 5.326 0 1 EKAF COc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1C 587165236 NHDSAJHAMCELAK-UHFFFAOYSA-N 338.407 5.415 0 1 EKAF Fc1ccc2c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)coc2c1 587174465 JNJOXJVMERTWOO-UHFFFAOYSA-N 344.345 5.908 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1C[C@H]3[C@H]2CCC[C@@H]21 587206061 AGYAFSLHOQSPAV-DSIZOQBWSA-N 337.422 5.447 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3C)cc1)O2 587405500 LSCCVGNTYLFXIW-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(C)C)[C@H](C)C1)CC2=O 587483647 RGVKPPFRPWVBBF-WIEQDCTASA-N 330.468 5.141 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C1CC1)CC2=O 587490158 RXPFZJYIZQTZFL-JOCHJYFZSA-N 336.431 5.103 0 1 EKAF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1F 587503206 FSJFVWYULWIGTE-QFIPXVFZSA-N 338.422 5.202 0 1 EKAF Cc1ccccc1[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527426 VKSUASOJDDEDFX-HSZRJFAPSA-N 332.443 5.145 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccn3)c2c1 587643049 YMGGXLFDOSMKME-LLVKDONJSA-N 346.352 5.326 0 1 EKAF CC(C)(C)Oc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922498 UJQDPTQVBGROLB-UHFFFAOYSA-N 345.414 5.933 0 1 EKAF CCC[C@@]1(c2ccc(C)s2)c2ccc(F)cc2C[C@H]2CCCN21 963115777 VZWUUJBDNOQADH-XLIONFOSSA-N 329.484 5.260 0 1 EKAF COC(=O)c1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1 1857581636 AHFHEUGDJKSPJL-BLHCBFLLSA-N 341.410 5.209 0 1 EKAF COc1ccccc1-c1oc2ccccc2c1-c1ccc2cc[nH]c2c1 36388960 XTGKMRAJCZTEQO-UHFFFAOYSA-N 339.394 6.257 0 3 EKAF COc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 22119 AKIUDQXGSMSBFM-UHFFFAOYSA-N 326.399 5.419 0 1 EKAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)cc1 13474623 PFNBHJNERDWZGD-UHFFFAOYSA-N 348.450 5.122 0 1 EKAF Cc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)c(C)c1 40863060 SRWNOCJTGKIJFL-FQEVSTJZSA-N 340.854 5.364 0 1 EKAF C[C@@H](Oc1cccc2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43072446 FTMVBXPUBUANMQ-CQSZACIVSA-N 349.821 5.214 0 1 EKAF CO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 73199372 IIUFBJITILOZMM-PDGQHHTCSA-N 329.827 5.089 0 1 EKAF COc1ccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)cc1 74386938 BVJFDFPSDRMKBV-UHFFFAOYSA-N 347.393 5.132 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@@H](C)c3ccc(F)cc3)ncn2)cc1 82162112 ZRAFLLHBPNOIDJ-HNNXBMFYSA-N 335.426 5.579 0 1 EKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2c2cc(C(C)(C)C)no2)N3C)cc1 100985449 OEUNHOYSAHYKJP-TWFHAPMSSA-N 338.495 5.014 0 1 EKAF CC[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3Cl)c21 103178574 AQQKJWQPZKBOBV-LBPRGKRZSA-N 328.843 5.162 0 1 EKAF CN1[C@H]2CC[C@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 169341191 VQILFFVIWGYQHG-SRCMVKNISA-N 337.894 5.620 0 1 EKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587026851 YZGAPRUXUFABRD-TWGQIWQCSA-N 330.412 5.026 0 1 EKAF Cc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1C 587083504 XFWGTUFRQVMYRD-UHFFFAOYSA-N 342.229 5.702 0 1 EKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2[nH]1 587112046 CXVJRNMAMPDZQZ-JTQLQIEISA-N 338.760 5.581 0 1 EKAF Cc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1F 587113770 ZXBVFZLIQVDWCT-UHFFFAOYSA-N 345.299 5.244 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587146181 CKIBUPTUMXDORG-SNAWJCMRSA-N 338.279 5.339 0 1 EKAF Fc1ccc(/C=C(/c2nc3cccc(F)c3[nH]2)c2cccs2)cc1 587162429 AWVGGBVNCUVMRH-SDNWHVSQSA-N 338.382 5.492 0 1 EKAF CC[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365364 GXNPTYZRWQLZNT-AWEZNQCLSA-N 343.426 6.096 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)(C)C)o1)CC2=O 587485421 VQBXMDYUAVYLRM-NRFANRHFSA-N 342.435 5.116 0 1 EKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CC1 587511213 FGKLPDCYNXTJLH-OAQYLSRUSA-N 335.447 5.025 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 587780431 UGRDXLDLNGAHOB-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF Cc1cncc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949900 MNKYEEGEGDFOBK-VAWYXSNFSA-N 327.387 5.229 0 1 EKAF CCCCc1ccc([C@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950640 RZXMRGFJXMOZCQ-DVECYGJZSA-N 346.518 5.698 0 1 EKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(Cl)nc3C)ccnc21 13487183 SZVSUKNPBOJOEA-LBPRGKRZSA-N 342.874 5.379 0 1 EKAF CN(C)CCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801236 IQWZFJFZIOQWMO-UHFFFAOYSA-N 339.527 5.038 0 1 EKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1C(CO)=CCCC1(C)C)C=C2 14708635 NPUGLJKNYBKFHS-GCJKJVERSA-N 342.479 5.000 0 1 EKAF biogenic CC(C)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 26289041 ORHRVRHDBVLGSO-UHFFFAOYSA-N 339.442 5.929 0 1 EKAF O=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1Cl)c1ccccc1 45496327 PXKJXWCSDWYYLH-RIYZIHGNSA-N 347.650 5.005 0 1 EKAF C[C@@H](Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl 72125174 HKWBSSPPZCQEOJ-LLVKDONJSA-N 345.830 5.184 0 1 EKAF CCCCCC[C@@H](C)NCc1coc(-c2ccccc2OCC)n1 72184406 WQKVFGYNKGXDHZ-MRXNPFEDSA-N 330.472 5.189 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1cccc(-c2ccccc2)c1 95559600 SMUWJZUNFWKLMT-GOTSBHOMSA-N 331.503 5.778 0 1 EKAF Cc1cccc(C)c1NC1=NN=Cc2cc3cccc(C)c3nc2S1 98083873 QGMAQPFUYLUWRT-UHFFFAOYSA-N 346.459 5.068 0 1 EKAF COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1 102868222 NINITLSHUAPIHQ-HUUCEWRRSA-N 332.447 5.320 0 1 EKAF Cc1ccccc1NC(=S)Nc1nc2c(ccc3ccccc32)s1 103293535 SFORDMWILSRNLO-UHFFFAOYSA-N 349.484 5.567 0 1 EKAF CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1C1CCCCC1 221354381 JUTQSPVZQICNAM-SFHVURJKSA-N 343.467 5.446 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C[C@@H](O)C[C@@]12C 238770703 CZUWIMDOXXXJRE-OQKISJNMSA-N 348.527 5.046 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C)c(Cl)cc3[nH]2)s1 587014159 HQSZHCWROXDYDY-SNVBAGLBSA-N 335.860 5.054 0 1 EKAF Clc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2nc1Cl 587088000 RCOMKLRNRCBOOV-UHFFFAOYSA-N 337.597 5.066 0 1 EKAF Cc1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c(C)n1 587123188 BXNUPSIKXDEJKA-YVMONPNESA-N 349.381 5.357 0 1 EKAF Cc1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149203 HRTFDDHHNQEWKE-HXUWFJFHSA-N 331.394 5.212 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)Br)c2c1 587643317 ZQUZTIXDXOTCOT-QMMMGPOBSA-N 344.199 5.160 0 1 EKAF CCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814240 SHGVBQYBBZFYFO-APPDUMDISA-N 342.296 5.164 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1 587936051 QFRFQEXTMKNKEU-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cccc2ccccc12 653773233 FIFWXPOXYQZXBG-WAIKUNEKSA-N 340.470 6.049 0 1 EKAF CCC(C)(C)[C@@]1(c2ccc(F)c(Cl)c2)NCCc2c(C)ccnc21 963094463 YCYPDSIZCZCLPP-FQEVSTJZSA-N 346.877 5.008 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3CC2)O1 2356624704 KYCQOTHEQWKLOW-IFRJPGMASA-N 346.555 6.107 0 1 EKAF C[C@]1(Cc2ccc(Cl)s2)C(=O)Nc2c(Cl)ccc(Cl)c21 61895879 WTEUUYGJZKXNQG-CQSZACIVSA-N 346.666 5.161 0 3 EKAF COc1cc(Nc2nc(C)c(-c3ccccc3)o2)ccc1-c1cnco1 3594932 BZTHBXDLWKFMFC-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF CCNC(=O)C[C@@H](C)CCC[C@@H](C)CCC1=C(C)CCCC1(C)C 6385253 OILOTJCBEZVVOB-MSOLQXFVSA-N 335.576 6.262 0 1 EKAF CC1(C)[C@H](c2ccccc2)[C@@]12CC[C@@]1(C2=O)[C@H](c2ccccc2)C1(C)C 17196071 KXLWBFPVIVAVFT-IHQJUFEGSA-N 344.498 5.969 0 1 EKAF O=C1c2cccn2-c2ccc(Cl)cc2S[C@@H]1c1ccccc1 29223519 DEUUVXSGSBHKLC-GOSISDBHSA-N 325.820 5.160 0 1 EKAF c1ccc(-c2ccc(-c3csc(Nc4ccncc4)n3)cc2)cc1 45334940 HKQFPOVFBXRXQK-UHFFFAOYSA-N 329.428 5.616 0 1 EKAF C(=C/c1cncnc1-c1ccc(-c2ccccc2)s1)\c1ccccc1 169327631 SRNGBYZODBSPKN-VAWYXSNFSA-N 340.451 6.043 0 1 EKAF c1ccc(-c2cc([C@H]3[C@@H](c4ccccc4)C[C@H]4CC[C@H]3S4)on2)cc1 195463184 GGNBFDVFZAGDEV-MCEIDBOGSA-N 347.483 5.877 0 1 EKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc([Si](C)(C)C)cc1 210806597 FEWBPLSIKSEHCC-GOSISDBHSA-N 347.578 5.578 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccnc(Cl)c2[nH]1 587050863 RAAYSMOYRCTWCT-YUMQZZPRSA-N 338.625 5.189 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(cnc4ccccc43)[nH]2)cc1 587165244 NIGMGDAMGXLTMI-UHFFFAOYSA-N 345.402 5.646 0 1 EKAF FC(F)(F)c1ccc([C@@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587210658 UUYCWMDMXMFBBS-HNNXBMFYSA-N 339.360 5.430 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587250229 KBGKFLXWXQMASQ-UHFFFAOYSA-N 337.785 5.272 0 1 EKAF CC(C)CC[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522659 GFEANRVRRLCUCJ-VGOFRKELSA-N 326.480 5.506 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccn2)cc1 587632091 FMHVDIFCBOKZJP-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cccs3)c2c1 587641398 IOALKMJQYLQOON-JTQLQIEISA-N 333.403 5.912 0 1 EKAF Cc1cc(C)c2nc(-n3nc4cc3Oc3ccc(F)cc3-4)cc(C)c2c1 587875142 NUAATHZINKJWAN-UHFFFAOYSA-N 345.377 5.258 0 1 EKAF Fc1c(F)c(F)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1F 587970188 ZQWFUMXJTVIYDF-CMDGGOBGSA-N 342.295 5.443 0 1 EKAF Cc1cc(C)c([C@H]2c3ccsc3CCN2Cc2ccco2)cc1C 962708836 KDZTYPHHWYXPMW-OAQYLSRUSA-N 337.488 5.414 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(C(F)(F)F)cc2)c1 1772615375 VRJODSUTTZDSLD-UHFFFAOYSA-N 337.341 5.748 0 1 EKAF Cc1nc2cc(-c3ccccc3)ccc2c(=O)n1-c1cccc(Cl)c1 1857545706 XFBSIHORRGTZPT-UHFFFAOYSA-N 346.817 5.015 0 1 EKAF CCCCCn1c(=O)sc2cc(C(=O)C3CCCCC3)ccc21 1857608758 COBCQVWRHWNVNS-UHFFFAOYSA-N 331.481 5.016 0 1 EKAF CCCCCC=CCC=CCCCCCCC[C@@H](O)CC(=O)OC 2356321760 RUZSDNSSGRCGGT-HXUWFJFHSA-N 338.532 5.724 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1ccccc12 2356629507 HYKYGURKMDNXGG-UHFFFAOYSA-N 347.458 6.074 0 1 EKAF CC(C)CCC[C@](C)(O)C[C@@H](O)C[C@@H](C)CCCCC1=CCCC1 13375178 GIZMJTQBWMNAQS-BVSLBCMMSA-N 338.576 6.012 0 1 EKAF biogenic CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC(C)=O)cc1 27522167 YKTYVKQIHIOUNN-RTWAWAEBSA-N 326.436 5.047 0 1 EKAF Clc1ccc(O[C@H](Cn2ccnc2)c2ccc3ccccc3c2)cc1 27842816 GTWLSVWMQWAHNY-OAQYLSRUSA-N 348.833 5.510 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nc(C(F)(F)F)co1 40865493 NLMTVNHTMJTYAC-UHFFFAOYSA-N 325.330 5.069 0 1 EKAF CC[C@H]1O[C@@H]1CCCCCCCCCCCCCCCC(=O)O 72110056 WNFVVRZXZJGWHQ-RTBURBONSA-N 326.521 6.100 0 1 EKAF C[C@H]1C[C@H](Nc2cncc(Oc3cccc(F)c3)n2)CC(C)(C)C1 82068837 JNBHMNYGLYZNGW-ZFWWWQNUSA-N 329.419 5.035 0 1 EKAF CCCCc1ccc(CCc2ccc(O)c(OC3CCCC3)c2)o1 85624498 JGOZRSYVXVIUDC-UHFFFAOYSA-N 328.452 5.434 0 1 EKAF biogenic,in-vitro COc1ccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc2c1 95563988 ZACXFPVXBRZLLS-UHFFFAOYSA-N 343.382 5.200 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C(C)(C)C)ncc2c1 144402468 WIAZQJWKXZAPGN-UHFFFAOYSA-N 336.410 5.334 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586883226 JBTXJVVTTQRAQM-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CCC[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990614 MEXVHWPPKSHVBF-ZDUSSCGKSA-N 343.426 5.057 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(F)(F)F)cc2[nH]1 587156528 UQGQRBDBMKDJMQ-AWEZNQCLSA-N 338.304 5.251 0 1 EKAF O=C1C[C@@H](c2ccc(OCC3CC3)cc2)Oc2c1ccc1c2CCCC1 587521661 DUFCGCUECHEOAV-QFIPXVFZSA-N 348.442 5.061 0 1 EKAF Cc1cccc([C@@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525861 SGMSYIGHJGFRRL-XMMPIXPASA-N 348.486 5.781 0 1 EKAF Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2ccc(F)c(Cl)c12 587631506 CPGMGXXNCHKNEB-UHFFFAOYSA-N 328.774 5.133 0 1 EKAF CCSc1ccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cc1 963101409 RLCHYYBTIXXDMR-DYESRHJHSA-N 341.495 5.222 0 1 EKAF Cc1ccc([C@H](c2ccccc2)[S@@](=O)Cc2cccs2)cc1 1772590671 PWZOWRNJWLJVFK-UGKGYDQZSA-N 326.486 5.095 0 1 EKAF CC[C@@H](C)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671500 HIGRNMBHEGUXBW-OGGGKMGXSA-N 346.555 5.375 0 1 EKAF CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 27656705 GAJVYAHRFQQYKV-QGZVFWFLSA-N 326.436 5.219 0 1 EKAF O=C1CCCC[C@H]1[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1F 66262498 ARVVITKZTJPAHB-KUHUBIRLSA-N 333.353 5.016 0 1 EKAF COc1ccc(C(NCC(C)C)(c2ccccc2)c2ccccc2)cc1 84740735 RNRCFSOENAHVIE-UHFFFAOYSA-N 345.486 5.233 0 1 EKAF Cc1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144739188 LZXMAOHOGXRTLH-FQEVSTJZSA-N 340.344 5.441 0 1 EKAF CC1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCCCC1 586992411 WDYNXACHSKLKPF-UHFFFAOYSA-N 343.426 5.374 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3)nc3cccc1c23 587104850 XKQIGMPMIJOIFX-UHFFFAOYSA-N 341.797 5.767 0 1 EKAF CC1=C(C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)CCC1 587520816 AWDOVHIMVRLLBY-QGZVFWFLSA-N 338.491 5.816 0 1 EKAF CC(C)Cc1[nH]c2cc(F)ccc2c1-c1ccc(Cl)cc1Cl 587633057 PUMMEKOEVVVZHO-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccc(C(F)(F)F)cc3)c2c1 587643233 SPIPWYDYBXRRFD-ZDUSSCGKSA-N 345.408 6.599 0 1 EKAF CCCC/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816448 YGTGMGZLHOAYBQ-HTJSDIMNSA-N 340.280 5.084 0 1 EKAF CC1=C[C@]2(NCCc3cccc(-c4ccccc4)c32)[C@H]2C[C@@H]1C2(C)C 962664380 GHDWQPWMLXINIO-HFMPRLQTSA-N 329.487 5.317 0 1 EKAF Cc1ccccc1-c1c(C)nc2c(c(C)nn2-c2ccccc2)c1C 1772611978 GRXVLIFBNIPVFX-UHFFFAOYSA-N 327.431 5.321 0 1 EKAF COc1ccc2c(c1)[nH]c1c(N3CCC[C@@H]3c3ccccc3)nccc12 1857630224 UURVWJFQRRGYMK-HXUWFJFHSA-N 343.430 5.066 0 1 EKAF CC(C)=CC[C@@H]1CC(C)=C2OC(C)(C)[C@@H]3CC[C@]1(C)[C@@]23C(=O)C(C)C 2356561437 DBACOFREEYSTTM-PNQHUFSXSA-N 344.539 6.073 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)CC[C@@H]12 2356619158 VIHYBRGBRJAHDB-PBVWOCPUSA-N 332.528 6.073 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC2)O1 2356624702 KYCQOTHEQWKLOW-ASXKRPDZSA-N 346.555 6.107 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@@]1(C)CCCC(C)(C)[C@H]1CC2 14695575 GOFVGQQVAVJCMR-IFMALSPDSA-N 328.496 5.766 0 1 EKAF biogenic CCc1noc(CC)c1CCCCCCOc1ccc(SC)cc1 27861580 HYVJRPJSEKQVNM-UHFFFAOYSA-N 347.524 5.703 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@H]2c2ccc3c(c2)[C@H]2CC[C@@H]3C2)cc1 29320797 JXPKDVUVFSQUEH-CTOYSFNJSA-N 332.443 5.499 0 1 EKAF Cc1cc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)o4)[nH]3)cc2c1C 29470788 GQZCJWVPBKVCEX-UHFFFAOYSA-N 335.359 5.311 0 1 EKAF O[C@H]1c2ccccc2CC[C@@]1(/C=C/c1ccccc1)Cc1ccccc1 71334466 WHLQSFMFSZFEKH-NHJATQADSA-N 340.466 5.609 0 1 EKAF Cc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Cl 587023950 SYAUIBDWVRAODV-UHFFFAOYSA-N 331.853 5.377 0 1 EKAF Cc1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 587057578 BXIICINHHYOIDE-UHFFFAOYSA-N 349.659 5.072 0 1 EKAF Cc1nccc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072163 WOANHGOYHQCWAT-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1oc3ccccc3c1C)CC2=O 587479589 INUFDONMGMLCSC-LJQANCHMSA-N 336.387 5.106 0 1 EKAF Fc1ccc(-c2c(C3CCOCC3)[nH]c3ccc(F)c(Cl)c23)cc1 587631056 WDPPOGGUJFYXCD-UHFFFAOYSA-N 347.792 5.661 0 1 EKAF CCC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632024 ATIAFJJTCHWRRY-UHFFFAOYSA-N 346.199 5.329 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)cc(C)c2[nH]1 587966742 GKQWPBYJGFYQCZ-WQLSENKSSA-N 333.273 5.784 0 1 EKAF Cc1cc2c(cc1F)[C@@](c1ccc(Cl)c(F)c1)(C1CCC1)NCC2 962093707 QYSAYQQGVMVLRK-FQEVSTJZSA-N 347.836 5.116 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2F)(C2CC2)N1 962961236 TYIOQGFMVYBLCT-HXOBKFHXSA-N 348.465 5.079 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1CCc1cnc2ccccc2c1 963236650 GJPBQYJUXWHOFE-UUOWRZLLSA-N 344.502 5.565 0 1 EKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1n3c(cc4ccccc43)C[C@@]12C 2356460278 OZJHCMYAXLCFKU-VNHKHXMHSA-N 335.491 5.550 0 1 EKAF CCCCN(CCCC)Cc1cc(=O)oc2cc(C)c(Cl)cc12 95569395 JTWYKMMHRWUZDI-UHFFFAOYSA-N 335.875 5.157 0 3 EKAF COc1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 1863766 RLPBSUWTWVVFHI-UHFFFAOYSA-N 345.427 5.448 0 1 EKAF CCCCCCN1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC 28568330 CWLAOZOVCXCXKJ-CZTZKLFOSA-N 331.544 5.741 0 1 EKAF C=C(c1ccccc1OCCCc1ccc(Cl)cc1)n1ccnc1 28765702 SXVYLQUTNQFORB-UHFFFAOYSA-N 338.838 5.067 0 1 EKAF Cc1ccc(-c2noc3cnc(N[C@@H](C)c4ccccc4)cc23)cc1 40951785 OKIPMNUDSPZOMT-HNNXBMFYSA-N 329.403 5.371 0 1 EKAF c1ccc(-c2ccc3c(c2)[C@H](Nc2nc4ccccc4[nH]2)CCC3)cc1 42888976 MJSHLQQAWDKNCC-HXUWFJFHSA-N 339.442 5.719 0 1 EKAF CCOc1ccc(-c2nc(CN[C@@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72182844 QRURZMVBMFXWEQ-NVXWUHKLSA-N 342.483 5.045 0 1 EKAF CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2cccc(Cl)c2)c1 96177534 SEQXROHQAPXFGA-UHFFFAOYSA-N 341.842 5.270 0 1 EKAF CC(=O)c1ccc2[nH]c3nccc(Nc4cccc(Cl)c4)c3c2c1 103297344 AUUINTJCBZOBLI-UHFFFAOYSA-N 335.794 5.316 0 1 EKAF CCCCC/C=C\C/C=C\CC[C@H](CCCCC(=O)O)OC(C)=O 140564119 OUMFXFXCXJCNNV-CRRUZKBJSA-N 338.488 5.426 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 169294178 IRFOEHYGMSKERJ-IIPCHUTBSA-N 349.449 5.046 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(C)ccc4[nH]3)cc2)CC1 586881236 RODCCRZCGIRBHH-IYARVYRRSA-N 347.506 6.397 0 1 EKAF Fc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1C(F)(F)F 587096881 DCDBZGATUKQVFS-UHFFFAOYSA-N 349.114 5.695 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](CC(C)C)C4)-c1ccccc1C2=O 587100425 JQTOOGVIJDLNIR-HNNXBMFYSA-N 341.454 5.516 0 1 EKAF CC(C)c1cc(O)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534805 YXDKDZBSLHFMHD-OAQYLSRUSA-N 336.431 5.101 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C)c(C)c4[nH]3)ccc2c1 587933993 DCZZOODWPZJWTC-OAHLLOKOSA-N 330.431 5.493 0 1 EKAF CC/C(=C\c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587968471 TWSQQKXWFRBMMQ-DHZHZOJOSA-N 332.234 5.524 0 1 EKAF Cc1ncsc1C(=O)Oc1ccc(-c2[nH]c3ccccc3c2C)cc1 1911575104 MHALNTHILLKLLE-UHFFFAOYSA-N 348.427 5.127 0 1 EKAF CCC=CCC=CCC=CCC=CC=C[C@H](O)CC=CCCC(=O)O 2356549040 OZXAIGIRPOOJTI-NRFANRHFSA-N 344.495 5.520 0 1 EKAF COC(=O)C(=CCCC(C)=CCCC(C)=CCO)CCC=C(C)C 2356557030 XKFLFUFHSYHQJS-UHFFFAOYSA-N 334.500 5.278 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C)CC1 15924700 JTXKHRKSOOYKLQ-QLOJAFMTSA-N 327.516 5.011 0 3 EKAF CN(CCc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1 195501503 LQWDBDLQDUIHEI-ROUUACIJSA-N 330.475 5.222 0 3 EKAF C=Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C 66098028 PIYPSTIVNHVVBW-RCDICMHDSA-N 346.474 5.455 0 1 EKAF c1ccc(-c2ccc(-c3nc(CNC4CCCCCC4)co3)cc2)cc1 72186013 KKRGMIDETXDDGH-UHFFFAOYSA-N 346.474 5.821 0 1 EKAF OC1=C2C(=Nc3ccc4ncccc4c3[C@@H]2c2cccc(O)c2)CCC1 101679178 WOBDOASPGMXUAV-FQEVSTJZSA-N 342.398 5.154 0 1 EKAF Cc1cccc(N(C)C(=O)c2ccc(-c3cccc(Cl)c3)s2)c1 299832975 HANOFHAXORHMGQ-UHFFFAOYSA-N 341.863 5.654 0 1 EKAF Cc1cc(O)c(C2=NO[C@@H](c3ccc(Cl)cc3)C2)c(C)c1Cl 299865189 SQHNVZXMGIBUEV-OAHLLOKOSA-N 336.218 5.182 0 1 EKAF Clc1ccc(CC2(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)cc1 587074073 QPINMQABLMKBQU-UHFFFAOYSA-N 336.866 5.369 0 1 EKAF Fc1ccc(/C=C\c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 587149660 PADWMSJHOONOTC-RQOWECAXSA-N 325.145 5.318 0 1 EKAF CCc1ccc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521440 FRBCTTOENGWOLD-QHCPKHFHSA-N 334.459 5.399 0 1 EKAF O=C1C[C@H](c2c(O)ccc3ccccc23)Oc2c1ccc1c2CCCC1 587531433 GITJJQPLFDKUCF-OAQYLSRUSA-N 344.410 5.131 0 1 EKAF O=C1C[C@@H](c2ccc3ccccc3c2O)Oc2c1ccc1c2CCCC1 587532282 KTSPADSIYYJNTM-NRFANRHFSA-N 344.410 5.131 0 1 EKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628024 GMNNEYKDCYRTNQ-UHFFFAOYSA-N 336.237 6.578 0 1 EKAF Clc1cc(Cl)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781547 WWIHOQGBXLIBRH-DAXSKMNVSA-N 333.218 5.100 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCCCC2)N1 587822064 ZISPTMHFSFFIGI-APPDUMDISA-N 340.280 5.134 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(C(F)(F)F)c2[nH]1 587952251 NJXNFLCHVHMTAX-XUJVJEKNSA-N 340.389 5.628 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(F)c(Br)c3[nH]2)CC1 587960665 AATFKTYRIZELFE-UHFFFAOYSA-N 339.252 5.223 0 1 EKAF COc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3o2)c1 1772569978 AUFGYBGCZSKDIE-CQSZACIVSA-N 345.402 5.072 0 1 EKAF CCCCCCn1cc(CN2CCCCCC2)c2c(F)cccc21 1772655225 NPOBPMCZQHZCNB-UHFFFAOYSA-N 330.491 5.737 0 1 EKAF COc1ccc(-c2c(-c3cccc(C)n3)nn3c2[C@@H](C)C(C)(C)C3)cc1 1857654130 PKVGMNWJRQHDGY-OAHLLOKOSA-N 347.462 5.072 0 1 EKAF CCCCCC=C[C@@H](O)C=CCC=CCC=CCCCC(=O)OCC 2356600585 QIAWNQWNJDEDRK-OAQYLSRUSA-N 348.527 5.666 0 1 EKAF CC(=O)O[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 2356654924 QFTDFAVFSULANQ-CPDPWVEUSA-N 336.516 5.120 0 1 EKAF C[C@H](Cc1ccc(O)cc1)NC[C@@H](c1ccccc1)C1CCCCC1 27766810 NBTFATDMJLDJTE-JPYJTQIMSA-N 337.507 5.277 0 1 EKAF Cc1c(C)c2ccc(OCc3ccc(C(C)C)cc3)c(C)c2oc1=O 28222830 JHDLMWPPMLTANW-UHFFFAOYSA-N 336.431 5.421 0 1 EKAF CO[C@@H](C)C1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC1 33953698 RKWVSFHNPUONCU-IFSLFAOESA-N 330.468 5.228 0 1 EKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1 84711878 JKRDXBZSEYPGAK-UHFFFAOYSA-N 339.822 5.078 0 1 EKAF Oc1c2c(nn1-c1cc(Cl)cc(Cl)c1)-c1ccccc1SC2 101341430 ZPYQBPTXZLTDBP-UHFFFAOYSA-N 349.242 5.157 0 1 EKAF Clc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083632 CTTBMNRQYMONIU-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF C[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)c1ccccc1C(F)(F)F 587097436 HMHUJKKLJWZLIN-LBPRGKRZSA-N 346.396 6.031 0 1 EKAF CCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099512 LKJNPOCNDKVSNV-UHFFFAOYSA-N 349.433 5.984 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 587099617 PBGMYKAVNGTYAP-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF Cc1cc(F)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 587164078 WBUJNDCKRIGPFE-UHFFFAOYSA-N 348.352 5.048 0 1 EKAF O=C(c1ccccc1-c1cccs1)c1coc2ccc(Cl)cc12 587278293 FEGXMABCXPYDDV-UHFFFAOYSA-N 338.815 6.046 0 1 EKAF COc1cccc(-c2cc(-c3ccoc3)nc3c2oc2ccccc23)c1 587366193 MQDGZGHUJZQZSW-UHFFFAOYSA-N 341.366 5.917 0 1 EKAF CC(C)N(C)c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504473 JPZBYABGGBDACN-QFIPXVFZSA-N 349.474 5.117 0 1 EKAF Cc1c(Cc2ccccc2Br)[nH]c2c(C)cc(Cl)cc12 587624024 WGGYTYRJJCOCNL-UHFFFAOYSA-N 348.671 5.791 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3OC)c2c1 587643492 UTNQEUKTNWXBTQ-CYBMUJFWSA-N 336.435 5.251 0 1 EKAF CC(C)CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811743 HASIXDXTKOHSTN-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccccc3C(F)(F)F)n2)c1 587921643 NNHFRYDAQRHDIR-UHFFFAOYSA-N 341.304 5.774 0 1 EKAF CC1CCN(CCCCCOc2cccc(-c3ccccc3)c2)CC1 1857533745 FNKAIORVBHRMGC-UHFFFAOYSA-N 337.507 5.635 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(-c5ccncc5)cc4CC[C@H]3[C@@H]1CCC2=O 1857634052 UCJUYUOVTUYUEG-JFYQVNSESA-N 331.459 5.174 0 1 EKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C1=CC(=O)OC1 2356347599 JIUWTCXNUNHEGP-VWIVDJIWSA-N 342.523 5.519 0 1 EKAF CC=CCCCCCCCCCCCCC[C@]1(OC)C=CC(=O)O1 2356589028 PIYYSSQIVZPOSN-OAQYLSRUSA-N 336.516 6.090 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H]1CC3(C)[C@H]4CC12C[C@H]43 2356627843 YGSPCCAAZJHJAH-KBLXZPBBSA-N 330.512 5.208 0 1 EKAF C[C@@H]1CCC2=C3[C@H](C[C@H](O)C2(C)C)c2[nH]c4ccccc4c2C[C@]31C 2356729501 MIQYAOWHEHWVNN-FKSMEJSVSA-N 335.491 5.331 0 1 EKAF CCO[P@](C)(=O)[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 1645995 QONJQAUHSKXQFB-AOMKIAJQSA-N 325.295 5.020 0 1 EKAF Cc1cccc(CNc2ncncc2-c2ccccc2C(F)(F)F)c1 4268362 UMBIWSCCNFMPBR-UHFFFAOYSA-N 343.352 5.083 0 1 EKAF CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C 14975030 GATYVUUKXLTIJT-UHFFFAOYSA-N 346.902 6.361 0 1 EKAF CN1CCC2(CC1)S[C@@H](c1cccc(Cl)c1)c1ccccc12 27874276 NNQDSJAHBYPXID-SFHVURJKSA-N 329.896 5.097 0 1 EKAF CC(C)=CCN1CCn2c(=S)[nH]c3cccc(c32)[C@H]1c1ccccc1 27876883 RDILZWOLENKESS-LJQANCHMSA-N 349.503 5.070 0 1 EKAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 28255013 NNNMYIGJZDQYQT-UHFFFAOYSA-N 334.250 5.212 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](C1CCCCC1)N2 53177109 QGZKHGLNCVRRIJ-YYWHXJBOSA-N 327.512 5.826 0 1 EKAF CCn1c2ccncc2c2cc(C(=O)c3ccc(Cl)cc3)ccc21 71316684 SVCHPIKZEKMOIH-UHFFFAOYSA-N 334.806 5.094 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)cc2F)[C@@H](c2ccc(O)cc2)C1 299828428 JJBMRFZJOAXKFF-QGZVFWFLSA-N 330.378 5.024 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586885746 ABJBBRKYYJCIJW-OQPBUACISA-N 347.178 5.248 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(C)(C)C)cc2[nH]1 587062272 QDJOQPQXAYLQLR-KRWDZBQOSA-N 342.870 6.044 0 1 EKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 587113954 PIMDHYWWXIIOBM-VIFPVBQESA-N 340.295 5.206 0 1 EKAF CC(C)CC[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208746 YWYLBMWWCJTFOR-HNNXBMFYSA-N 341.454 5.912 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H](c3ccccc3)C1)O2 587408990 SIMUBPSPUPJHMW-VGOFRKELSA-N 335.447 5.029 0 1 EKAF C[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502853 GCYFNXWGSXOHSS-FQEVSTJZSA-N 326.823 5.099 0 1 EKAF CC1(C)Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522751 GVKQEVMQWCJQFI-HSZRJFAPSA-N 332.443 5.008 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3cccs3)c(C(F)(F)F)[nH]c12 587624269 INOCDICTMSHKBW-UHFFFAOYSA-N 343.757 5.441 0 1 EKAF Cc1cc(Cl)cc2c(-n3ccnc3)c(-c3cccc(F)c3)[nH]c12 587624481 KCFMANGXSIJMEJ-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF Fc1ccc2[nH]c(-c3ncccn3)c(C3CCCCC3)c2c1Cl 587632306 JECZEGKKSMVLBC-UHFFFAOYSA-N 329.806 5.465 0 1 EKAF Clc1cccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)c1 587921340 UTHQUGVYHBRXPV-UHFFFAOYSA-N 336.847 5.921 0 1 EKAF CC1=NN(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)C1 653782554 DJSJEIIEWJMVIF-UHFFFAOYSA-N 341.414 5.269 0 1 EKAF O=C(O)c1ccc(-c2ssc(=S)c2-c2ccccc2)cc1 653875562 ZTDOHOYJYCVVKC-UHFFFAOYSA-N 330.455 5.571 0 1 EKAF Cc1c2c3c(c4ocnc14)[C@H](C)CC[C@@H]3[C@@H](C)[C@H]2C=CC(C)(C)O 2356445682 JSKUEIQCYRLEIS-QHSBEEBCSA-N 325.452 5.178 0 1 EKAF Cc1ccc2[nH]c3c4c(c(C)cc3c2c1)O[C@]1(C)CC[C@@H]2[C@H]1[C@@H]4C2(C)C 2356467511 UAEHAKMCIFYYGZ-XQEONZBOSA-N 345.486 6.239 0 1 EKAF O=C(NC1CCCCC1)c1cc(Nc2ccccc2)nc2ccccc12 3585721 RKOLECMYHBFEPL-UHFFFAOYSA-N 345.446 5.041 0 1 EKAF O=Nc1c(-c2c(O)[nH]c3cc(Cl)c(Cl)cc23)[nH]c2ccccc12 13559472 AYSFEKIVJXIJTM-UHFFFAOYSA-N 346.173 5.727 0 1 EKAF CC[C@@H](C)n1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21 27709113 LSSHDTYMJBZJNY-OAHLLOKOSA-N 330.431 5.836 0 1 EKAF Cc1cnccc1-c1cc(C2CCN(C)CC2)[nH]c1-c1ccc(F)cc1 28467542 RHIZJRZKYYCQKN-UHFFFAOYSA-N 349.453 5.000 0 1 EKAF Nc1nc(-c2ccc(C3CC3)o2)nc2sc(Cc3ccccc3)cc12 96908544 NVNOBGYXPMPAEC-UHFFFAOYSA-N 347.443 5.002 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\CCCC[C@@H]1CC=CC(=O)O1 140483058 NSHWWXNBJYFANB-IXEPPJHTSA-N 330.512 6.448 0 1 EKAF CC(C)=CCC/C(C)=C/Cn1cc(CN(C)C)c2cc(F)ccc21 141225875 XWQXSNCXKIPMMP-GZTJUZNOSA-N 328.475 5.535 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586891532 RLSLJQIHNPGEDV-RNCFNFMXSA-N 347.178 5.248 0 1 EKAF c1ccc(Oc2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587042733 LNNRPOHTNAPOGB-FQEVSTJZSA-N 344.439 5.745 0 1 EKAF O=C1c2ccccc2-c2cc(C[C@@H]3C[C@H]4CC[C@H]3C4)nc3cccc1c23 587206380 LTAUOJACNWKGCN-JYJNAYRXSA-N 339.438 5.425 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C)c(C)c1)CC2=O 587490645 SSEYERULOMGNOQ-QFIPXVFZSA-N 338.447 5.232 0 1 EKAF CC[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504431 WKTUAZPLEOOJSP-OAQYLSRUSA-N 340.850 5.490 0 1 EKAF O=C1C[C@H](c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587523999 JOXDPIPSVREHIC-JOCHJYFZSA-N 328.411 5.425 0 1 EKAF CC[C@@]1(c2ccc(C(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526358 VCBNREMGGNIWCO-DEOSSOPVSA-N 348.486 5.960 0 1 EKAF O=C(c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629858 LMIFUMGUAVERAH-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)(F)F)c2c1 587641270 LZHUSIXONZDSGA-SNVBAGLBSA-N 335.325 5.686 0 1 EKAF Clc1cccc(-c2csc(-c3cccc(Cl)c3Cl)n2)c1 587920091 DVPLCCDTDJSGRX-UHFFFAOYSA-N 340.662 6.437 0 1 EKAF C/C(=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCCCC1 587967093 GZVSWROCPTWGJC-JQIJEIRASA-N 348.515 6.698 0 1 EKAF Cc1cc2c(cc1F)[C@H](c1cc(-c3cccs3)cs1)NCC2 962146301 NTPDMBFYMASOTR-GOSISDBHSA-N 329.465 5.159 0 1 EKAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@]12C 2356311550 BNUOBHYLRSENSB-ALHBQKHBSA-N 330.512 5.517 0 1 EKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)CC(=O)O 2356317650 IZELUAUTIWSVHY-QGZVFWFLSA-N 344.451 5.623 0 1 EKAF COc1cc(C)c(CC[C@]2(C)C=Cc3cc(O)ccc3O2)c(C)c1C 14636901 HZEPJOVNVFPOGE-QFIPXVFZSA-N 338.447 5.123 0 1 EKAF biogenic CN[C@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc21 29312966 FXIJJIKEXAMLJU-REWPJTCUSA-N 329.443 5.665 0 1 EKAF CCCO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 40421285 LNEHQOAEJSUEEA-KBPDHXPTSA-N 346.555 5.639 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCC)cc2)n1 72182344 INAOUISPJXBTRG-INIZCTEOSA-N 330.472 5.189 0 1 EKAF CCCCc1ccc(-c2nc(-c3ccc4ccccc4c3)co2)cc1 72184964 SDFHUXRWUOFHMG-UHFFFAOYSA-N 327.427 6.504 0 1 EKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C1(c2cccs2)CC1 84669633 NDOGHMBHZXTNIT-UHFFFAOYSA-N 345.851 5.139 0 1 EKAF Cc1nn(-c2ccccc2)c(Oc2c(Cl)cccc2Cl)c1C=O 95563312 YICSHYRYLWASIX-UHFFFAOYSA-N 347.201 5.092 0 1 EKAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@@H]1C2 100930870 QUFRNANIXKUCID-OTODUSPQSA-N 348.527 5.347 0 1 EKAF C[C@H]1CC2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2=C(O)O1 101816732 GUCQPLYCDVLKKP-VOJFVSQTSA-N 340.810 5.158 0 1 EKAF C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1cccc2ccccc12 473091637 RGFLQOCNFXMGRZ-GQDGVJERSA-N 348.530 6.774 0 1 EKAF Cc1cc2c(Br)ccc(-c3nc4ccccc4[nH]3)c2o1 587002778 DFTKXVWSFFOFML-UHFFFAOYSA-N 327.181 5.047 0 1 EKAF Clc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c(Cl)n1 587023238 GHFRGXZFLDFCIV-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Fc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587051428 SLFXKRWNIXAUKZ-YUMQZZPRSA-N 339.172 5.419 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)nccc2[nH]1 587066169 GTNQTCZOKLYXLW-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2c(C)ccc(C)c2[nH]1 587240595 LDQRFXMJFZVAQU-UHFFFAOYSA-N 343.430 5.599 0 1 EKAF COc1ccc(CCCC(=O)c2coc3ccc(Cl)cc23)cc1 587276477 QRFLPSWRZXULHW-UHFFFAOYSA-N 328.795 5.300 0 1 EKAF Cc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1C(F)(F)F 587278383 LCRSSBIVPHJDLN-UHFFFAOYSA-N 338.712 5.644 0 1 EKAF C[C@@]1(Cc2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521332 BOCGHIUMXJQNLD-HSZRJFAPSA-N 345.442 5.013 0 1 EKAF Cc1cc(Br)ccc1-c1nc(-c2ccc(F)cc2)cs1 587923152 RHKOOLRZGNJOOU-UHFFFAOYSA-N 348.240 5.687 0 1 EKAF FC(F)(F)Oc1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965112 NSRVDHIGHPYJRG-UHFFFAOYSA-N 348.368 5.301 0 1 EKAF c1ccc2c(c1)ncn2CCCn1c2ccccc2c2ccccc21 1857538909 MJXUUNVJZJFCSQ-UHFFFAOYSA-N 325.415 5.235 0 1 EKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCCCc1ccccc1 1857620245 NIIRFARKSSJRKF-QFIPXVFZSA-N 332.491 5.466 0 1 EKAF CC(=CCc1cc(O)c(C)cc1O)CCC=C(C)Cc1cc(C)co1 2356620640 ADYURFIGBFVBDI-UHFFFAOYSA-N 340.463 5.766 0 1 EKAF O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc(Cl)c1 5403764 RWZLJBSQIUGGNV-ZRDIBKRKSA-N 339.847 5.720 0 1 EKAF COc1c(C(C)(C)C)cc(-c2nnc(S)s2)cc1C(C)(C)C 13826659 OOQUQJACOYHCKO-UHFFFAOYSA-N 336.526 5.097 0 1 EKAF CSc1ccc([C@@H]2CN3CCC[C@@H]3c3c(Cl)cccc32)cc1 26668446 TXNKGWKKEXRIAI-FUHWJXTLSA-N 329.896 5.344 0 1 EKAF COc1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccccc2)cc1 34649645 XKCWGSMQHCZQRK-JOCHJYFZSA-N 348.467 5.802 0 1 EKAF CCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1 36294636 CVADUNUZYYADMA-UHFFFAOYSA-N 339.438 5.949 0 1 EKAF in-vivo Cc1ccc(C(C)C)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 84740278 AMRILNBNWHWGEX-UHFFFAOYSA-N 329.443 6.038 0 1 EKAF CCc1sc2nc(C)c(CC(=O)O)c(-c3ccc(C)cc3)c2c1C 113123101 OIUNBEXMAQRORF-UHFFFAOYSA-N 339.460 5.078 0 1 EKAF Cc1c(O)c2ccccc2c2c1sc(=NCC(C)C)n2CC(C)C 377612342 BFBURMZNVKJXRZ-UHFFFAOYSA-N 342.508 5.083 0 1 EKAF CNc1c(F)cccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587135938 SHYXEHGXMMCIQF-UHFFFAOYSA-N 341.333 5.023 0 1 EKAF CC(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356688 RCDQVSRNAIVDTI-FPOVZHCZSA-N 342.410 5.085 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)o1 587629865 LPYRTVREXJIDCO-UHFFFAOYSA-N 345.679 5.274 0 1 EKAF O=C(c1c(C(F)F)[nH]c2cccc(F)c12)C12CC3CC(CC(C3)C1)C2 587634123 TVXXOCBZGSFGQU-UHFFFAOYSA-N 347.380 5.644 0 1 EKAF CCCCn1cc(CN2CCCCC2)c2cc(Br)ccc21 1857613541 MNDUZCSWXWDMGB-UHFFFAOYSA-N 349.316 5.190 0 1 EKAF CCCCCC=C[C@H](O)C=CCC=CCC=CCCCC(=O)OC 2356558620 GRRPXEZUTRCEEY-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4CCC[C@]5(C)C[C@]45CC[C@@H]3C2)O1 2356756870 XVSVCWJDKBTGFP-KONYGESCSA-N 346.555 5.941 0 1 EKAF O=c1c(-c2cccc(-c3ccccc3)c2)c(O)[nH]c2cc(Cl)ccc12 13775718 HLBCROJQYUOXJY-UHFFFAOYSA-N 347.801 5.221 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)c1 36387990 JWYBGPLSVSRAES-LSWJPFSZSA-N 349.449 5.190 0 1 EKAF Oc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 73196149 RJYDOBLREYWVCO-UHFFFAOYSA-N 338.410 5.535 0 1 EKAF CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1 95580346 XNXKEYCDXWQUQU-UHFFFAOYSA-N 325.496 5.060 0 1 EKAF Cc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Cl 587023903 RVLNYRJOOLDWSH-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2C1 587033728 LDGHKLJELXCQFW-SSDOTTSWSA-N 338.263 5.118 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2C1 587033729 LDGHKLJELXCQFW-ZETCQYMHSA-N 338.263 5.118 0 1 EKAF Cc1ccnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 587050965 WGPJGCGFVHNUPZ-UHFFFAOYSA-N 347.805 5.066 0 1 EKAF Cc1cc2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2cc1C 587066147 KFNMVHOUNVGSRJ-UHFFFAOYSA-N 335.838 5.599 0 1 EKAF Clc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Cl 587088367 YPSQBXSAOYWWBW-UHFFFAOYSA-N 336.609 5.671 0 1 EKAF CCCCC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522093 HHKJONTWQXTFDB-QFIPXVFZSA-N 328.496 5.896 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(C3CCOCC3)[nH]c12 587624806 SKNTVDJCVKCOTJ-UHFFFAOYSA-N 343.829 5.830 0 1 EKAF Oc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630083 QQBYRMIJVIDPAM-UHFFFAOYSA-N 329.680 5.352 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCCC2)N1 587819284 LPFYDVXFPAPQIQ-GTNSWQLSSA-N 340.280 5.134 0 1 EKAF CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1 13759317 XQAPPINGDDOWEW-HNNXBMFYSA-N 331.500 5.534 0 1 EKAF CCCCCCOc1ccc(C(=O)NC[C@H]2CCCCC2(C)C)cc1 13864681 UVNZZRWPQHARRZ-LJQANCHMSA-N 345.527 5.592 0 1 EKAF CCCCCC(=O)c1cccc(OCc2ccc3ccccc3n2)c1 25987006 LHFXTLCYZARWLB-UHFFFAOYSA-N 333.431 5.577 0 1 EKAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@@H]1C2 27558180 QUFRNANIXKUCID-JQCGRVNTSA-N 348.527 5.347 0 1 EKAF CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=Cc2ccc(Cl)cc21 38307053 FSWWFUYDRYQZBW-HSZRJFAPSA-N 348.766 5.286 0 1 EKAF COc1ccc(Nc2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 64499418 KRQYLPOYWMGHNK-UHFFFAOYSA-N 340.426 5.962 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@@H]1CC[C@@H]3O1 102880497 DSGQGIYWJKACCQ-IRXDYDNUSA-N 343.348 5.770 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Oc3ccccc3)cc21 143411275 PZCFFAOLNLVUNY-LJQANCHMSA-N 342.316 5.258 0 1 EKAF C[C@H](N=O)[C@@H]1CC=C2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 261141623 NEBOMMQPPZFFBC-YQVBJQERSA-N 329.484 5.001 0 1 EKAF CCCC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCC1 586877740 MZIPEUXEXMVCQV-UHFFFAOYSA-N 327.653 5.201 0 1 EKAF Clc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587070289 GYBBYQKJCYGBRS-UHFFFAOYSA-N 336.847 6.035 0 1 EKAF CC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504683 XQADHRBOIAEGAM-NRFANRHFSA-N 340.850 5.490 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)CC(C)C)c2c1 587640645 HOZNIXPPUSICDJ-NSHDSACASA-N 325.374 5.929 0 1 EKAF Cc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587954760 CCWVIRRHMFKPBN-SFHVURJKSA-N 330.406 5.385 0 1 EKAF CCSc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962668735 XQDILSBZVCHZOE-QHCPKHFHSA-N 345.511 5.701 0 1 EKAF Oc1ccc(-c2c(-c3ccc(F)cc3)oc3cc(O)ccc23)c(O)c1 1772616966 QVRBUFNNAMTPMH-UHFFFAOYSA-N 336.318 5.023 0 1 EKAF Cc1ccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)s1 1857544594 AJNHEZAHXKANEA-UHFFFAOYSA-N 342.851 6.021 0 1 EKAF Clc1ccc(-c2[nH]c3cc(Cl)ccc3c2Cn2ccnc2)cc1 1857634493 ZWWZFKUJCJZOFF-UHFFFAOYSA-N 342.229 5.387 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2cc(C)cc(O)c2C[C@@H]1O 2356496796 OELJEAVRDMYCHY-FCHUYYIVSA-N 344.495 5.228 0 1 EKAF CC(C)CCC[C@]1(C)CCc2cc(C(=O)O)cc(CCC(C)C)c2O1 2356717867 YAMHFDZGNSYRIT-JOCHJYFZSA-N 346.511 5.883 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@H]2CCc3cc(C(C)C)c(O)cc3[C@@]2(C)C1 2356875863 ZTRHRDVSZYCIJZ-BSLALVQMSA-N 344.495 5.087 0 1 EKAF CSc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 1618964 OCCPESPJCOOWOX-UHFFFAOYSA-N 342.548 6.300 0 1 EKAF CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 13437756 XPINZAYSUKBJNK-OAHLLOKOSA-N 343.486 6.140 0 1 EKAF in-vitro O=C(CCCCCCc1ccccc1)c1nc(-c2ccccc2)co1 40391468 XOLGPHAVLXMSGU-UHFFFAOYSA-N 333.431 5.718 0 1 EKAF in-vivo CC(=O)O[C@H]1C(=O)[C@@H]2[C@@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40896768 SOAIWELMVRCOAD-XZUUUYPNSA-N 346.511 5.252 0 1 EKAF CCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40901504 HFYMHEYJQWJALA-UHFFFAOYSA-N 331.415 5.519 0 1 EKAF COc1cccc([C@@H](C)NCc2cccc(-c3ccccc3OC)c2)c1 58591866 MQGLAQHKVWKXHV-QGZVFWFLSA-N 347.458 5.222 0 1 EKAF O=C1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247441 QKZZGHKUUSIDBB-YZQOYHPDSA-N 335.422 5.296 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 586882223 WLRYITJKDCGTHO-UHFFFAOYSA-N 329.447 5.774 0 1 EKAF CSc1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069367 IWFDWDWSDSLWIE-NSHDSACASA-N 344.867 5.315 0 1 EKAF Cc1c(Cl)ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587077741 XQVAAQMUYTUFNX-UHFFFAOYSA-N 331.246 5.648 0 1 EKAF Cc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082687 BGXLWIHSQFQVGE-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1C1CCCCC1)O2 587408561 PMZGMMLJVZJLEP-DYESRHJHSA-N 327.468 5.052 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc3ccccc3c1Cl)O2 587414448 MHQJSSOEHACBRZ-CQSZACIVSA-N 343.835 5.152 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCCC2)N1 587819286 LPFYDVXFPAPQIQ-PIGZYNQJSA-N 340.280 5.134 0 1 EKAF COc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1C 587959064 LQEKARISRBTUIK-UHFFFAOYSA-N 342.442 5.446 0 1 EKAF Cc1nc(-c2ccccc2)oc1-c1csc(Cc2ccccc2)n1 1772618489 HVMYFVYVKFIFHT-UHFFFAOYSA-N 332.428 5.364 0 1 EKAF C=Cc1c(OC)cc(/C=C/c2cccc(C(F)(F)F)c2)cc1OC 1857534573 QFPOXTCLNZLHRH-CMDGGOBGSA-N 334.337 5.536 0 1 EKAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CCCc1ccoc1 2356668675 YBQMKOGJNNSQNZ-OAQYLSRUSA-N 328.452 5.472 0 1 EKAF CC(=O)Nc1ccc([C@H](/C=C/c2ccccc2)Cc2ccccc2)cc1 203471948 IJRRMOULSIDHMI-MDRMPYQZSA-N 341.454 5.685 0 3 EKAF CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 13583446 IZUMHFDUSAWWQU-BQSWGBOTSA-N 342.523 5.360 0 1 EKAF Oc1c2c(nn1-c1cccc(Cl)c1Cl)-c1ccccc1SC2 100988448 JBCNPQWUOHWEIQ-UHFFFAOYSA-N 349.242 5.157 0 1 EKAF c1ccc(-c2cc([C@H]3[C@@H]4CC[C@@H](C[C@@H]3c3ccccc3)S4)on2)cc1 101388939 GGNBFDVFZAGDEV-UDKICSLYSA-N 347.483 5.877 0 1 EKAF CC(C)Cc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)c(Cl)c1 103286528 OHUYOLOWLOADPU-KRWDZBQOSA-N 349.808 5.335 0 1 EKAF CC[C@@H](C)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991065 QTXBNSPHBQVJDP-CHWSQXEVSA-N 343.426 5.228 0 1 EKAF CC[C@H]1C[C@@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992781 ZOQBRJPRQYGNIW-OLZOCXBDSA-N 343.426 5.228 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)c(C)s2)cc1 587013656 WJGQXLCUHRAWSU-UHFFFAOYSA-N 341.386 5.248 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cnc4[nH]3)c(C)s2)cc1 587013855 ZOXAVJGHCKDTFR-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Fc1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1C(F)(F)F 587098831 XJGDTHLKYRWHIU-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF Cc1ccc(C)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587163884 MRTLARSLBGKGOM-ATVHPVEESA-N 348.446 5.969 0 1 EKAF Cc1cccc([C@@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)c1 587208386 VDYQAHHEFIHOBM-IBGZPJMESA-N 347.417 5.443 0 1 EKAF CCCCc1c(CC(=O)c2ccccc2)nc2cccc3c2c1CC3 587213477 IXJKDKIEDXLAEK-UHFFFAOYSA-N 329.443 5.101 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C)cc(C)c1C)CC2=O 587476874 BSEYAVXMMYTWQZ-FQEVSTJZSA-N 338.447 5.285 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cc1cccc(C(F)(F)F)c1 587629880 MGRQMWJEWQOSEV-UHFFFAOYSA-N 341.735 5.878 0 1 EKAF CCC[C@H](C)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812147 ILPSJWDTWRBTPB-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1C 587921417 YFQDEALLCGOUOU-UHFFFAOYSA-N 349.377 5.993 0 1 EKAF Cc1ccc(CNc2c(-c3cccs3)nc3ccc(C)cn23)cc1 1772580354 AXEGYDFLHGQKAV-UHFFFAOYSA-N 333.460 5.292 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc(F)c2)s1 1857618870 GVLUFCBAFYCDJS-UHFFFAOYSA-N 346.814 5.852 0 1 EKAF CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1Cl 95554313 RPANVIVCJBQEMC-OAHLLOKOSA-N 342.870 5.073 0 3 EKAF CC(C)(C)C1CSC(c2ccc(Br)cc2)SC1 13733439 CGDRQCPHUMDROP-UHFFFAOYSA-N 331.344 5.590 0 1 EKAF Cc1cc2c(c3c1OCO3)[C@H](C)CC[C@@H]2[C@@H](C)CC(=O)CC(C)C 15268523 OOFUNMUFIROWEI-JKIFEVAISA-N 330.468 5.346 0 1 EKAF biogenic CCC[C@H]1CC[C@@](CC)(CC(=O)O)c2[nH]c3c(CC)cccc3c21 26279415 LESYMZHLJUQFMH-BTYIYWSLSA-N 327.468 5.530 0 1 EKAF C1=C(c2ccc(C3CCCCC3)cc2)N2CCN=C2c2ccccc21 26475772 YTQRDPJGFKPMHO-UHFFFAOYSA-N 328.459 5.308 0 1 EKAF CCOC(=O)c1cccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1 29310152 ZEFYMEWJMGSENQ-NETDEZLDSA-N 338.491 6.349 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CO)CCCC(=O)O 40505148 FLETVOYHEXEYPG-PSQVOQMNSA-N 334.500 5.435 0 1 EKAF c1ccc2cc(Cn3cc[n+](Cc4ccc5ccccc5c4)c3)ccc2c1 58502088 MRYKHZPXQWUCDY-UHFFFAOYSA-N 349.457 5.179 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCCOC(C)=O 59725393 ZTPDEIPEYUMKFD-YSTUJMKBSA-N 334.544 6.919 0 1 EKAF Cc1cc(C)cc(-c2cc3c(OC(=O)c4ccccc4)cccc3o2)c1 96911050 QETVPHBMUGLSHZ-UHFFFAOYSA-N 342.394 5.936 0 1 EKAF Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 104099690 NLKSPRUTTRHWEA-MRXNPFEDSA-N 341.842 5.222 0 1 EKAF CC(C)c1cc(-c2nc3cc(F)c(F)cc3[nH]2)c(O)c(C(C)C)c1 586896942 VBFUVAGRYXYWOP-UHFFFAOYSA-N 330.378 5.461 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(CO)cc2[nH]1 587073294 BAKXWEUZVZPKOC-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF CCOc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1OCC 587275677 DNAPUGWVGAAXIX-UHFFFAOYSA-N 344.794 5.115 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(C)c(F)cc3[nH]2)cc1 587563949 CWXLRFVUOMQLNT-UHFFFAOYSA-N 326.415 5.277 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2c(C)cc(Cl)cc12 587623734 NMGOWMJYFLIUJP-UHFFFAOYSA-N 340.637 6.118 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCCCCC2)N1 587819471 IHHIASSUNPALNC-GTNSWQLSSA-N 340.280 5.134 0 1 EKAF N=C(c1ccc(Cl)c(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874047 PABMQVYNLXPJLK-UHFFFAOYSA-N 348.164 4.975 0 1 EKAF COc1ccc(C2(c3nc4ccc(C)c(C)c4[nH]3)CC3(CCC3)C2)cc1 587936038 QAUWYDABPFDJIC-UHFFFAOYSA-N 346.474 5.439 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(F)(F)F)c2[nH]1 587952250 NJXNFLCHVHMTAX-JMSVASOKSA-N 340.389 5.628 0 1 EKAF CCc1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587955525 MFJPIOREAJMQJI-UHFFFAOYSA-N 347.245 5.248 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)cc1 587958595 ABYKLRKRZOSUAE-UHFFFAOYSA-N 334.369 5.407 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)cc(-c2cccc(Cl)c2)n1 653737689 YWGIPMLQUOIOJK-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCC[C@@H]1CCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962696492 FSXMVXFHGLPZTL-LLGFUMIMSA-N 347.543 5.375 0 1 EKAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963100699 IXSSDMOOVCPBGS-CJXIMXSGSA-N 339.498 5.134 0 1 EKAF CCCC(CCC)C(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 1772605186 CARPSTIWEVQJCH-SFHVURJKSA-N 348.874 5.037 0 1 EKAF CN(c1nc(-c2cccnc2)nc2ccccc12)C1CCCCCCC1 1857586152 AZRKSBPAQBPZIW-UHFFFAOYSA-N 346.478 5.241 0 1 EKAF CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 13408663 WYXLHJNYQBRALN-CXJHFUFTSA-N 344.539 5.907 0 1 EKAF biogenic O=C(Nc1ccc2ncccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 28972799 MGDBZNLDOYTHOG-UHFFFAOYSA-N 348.789 5.401 0 1 EKAF Cc1ccc(-n2nccc2-c2ccc3nc(NC(C)C)sc3c2)cc1 29041776 DAPURRNTVVKHEP-UHFFFAOYSA-N 348.475 5.278 0 1 EKAF CCOc1ccc2[nH]cc(Cc3c[nH]c4ccc(OCC)cc34)c2c1 34020757 MABNQFBCLQZWFA-UHFFFAOYSA-N 334.419 5.037 0 1 EKAF O=C(c1ccc(-c2ncc(-c3ccccc3)s2)s1)C(F)(F)F 40835484 YBIMQPGGWANZSL-UHFFFAOYSA-N 339.363 5.284 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccc(CC(=O)OC)o1 40895093 ZSZBMNAZPKOCHY-GJDCDIHCSA-N 328.452 5.343 0 1 EKAF COc1cccc(Cc2cc3ccccc3cc2-c2cccnc2)c1 40952838 XLDJQLVQCHGYLP-UHFFFAOYSA-N 325.411 5.501 0 1 EKAF CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O 95589083 BZUWQISDPPBBPF-LPHOPBHVSA-N 339.479 5.047 0 1 EKAF Cc1cccc(Nc2ccc(Oc3ncccc3C(F)(F)F)cc2)n1 139278342 IETBWTROZWYCIP-UHFFFAOYSA-N 345.324 5.340 0 1 EKAF Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3Cl)c2c1 169322610 STVCHCOXRMWXIB-UHFFFAOYSA-N 337.810 5.010 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@@]3(C)[C@H]4C[C@]12C[C@H]43 238782647 YGSPCCAAZJHJAH-VQWNRFBZSA-N 330.512 5.208 0 1 EKAF Fc1cc(Cl)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587080045 KQDKHEUPBGWCJZ-UHFFFAOYSA-N 334.181 5.012 0 1 EKAF CSC(C)(C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101465 GMHRUNVSYVIYJB-UHFFFAOYSA-N 347.483 5.439 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)c1F 587152545 PQIDPRJFKOIGFN-UWVGGRQHSA-N 339.172 5.419 0 1 EKAF Nc1ccc2oc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2c1 587252706 KFSRKQTURYORMW-UHFFFAOYSA-N 341.370 5.351 0 1 EKAF O=C1C[C@@H](c2ccc(C3CCC3)cc2)Oc2c1ccc1c2CCCC1 587523478 JDRILZAFXZKNED-QFIPXVFZSA-N 332.443 5.539 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(C(F)(F)F)cc1 587629560 BLLRZTYNUXUIJI-UHFFFAOYSA-N 341.735 5.878 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NC1CCCCCCC1 587631210 IZAROWFKKAYHCW-UHFFFAOYSA-N 336.838 5.112 0 1 EKAF CCc1ccccc1NC(=O)c1c(C)[nH]c2ccc([C@H](C)CC)cc12 587644009 YVOYYYPVKQTKAF-CQSZACIVSA-N 334.463 5.805 0 1 EKAF COc1ccc(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)cc1 587936690 YJOQEYQQBDJKFI-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC(=O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@H]12 621430876 DFTCDNAUEJSOJZ-WRXHGITGSA-N 334.500 5.079 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2ccc(F)cc2F)N1 962949351 LTPGKZWHQKOPDA-LHSJRXKWSA-N 340.417 5.024 0 1 EKAF C=CC(C)=CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]21C 2356382798 ODZIXXROBXQYOH-PVIWCNJMSA-N 348.527 5.046 0 1 EKAF CC(=CC[C@@H](O)[C@@H](C)CCCc1ccoc1)CCCc1ccoc1 2356621611 JSDMCZGFWDFWNE-GHTZIAJQSA-N 330.468 5.552 0 1 EKAF CCCC/C(=C(\CCCC)[C@@H]1C=CC(O)=CC1)c1ccc(O)cc1 33753644 NQAUIXWEWHWTQZ-UGNPLGLKSA-N 326.480 6.544 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)Nc2ccccc2)no1 95580108 TUTIOBQSNRDFLS-IENJSVCTSA-N 336.435 5.323 0 1 EKAF CCc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1CC 586878993 ISRWXBBGLXVILY-UHFFFAOYSA-N 336.332 5.513 0 1 EKAF Cc1ccc(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1 586964139 WFVIEXYBAXEKHO-UHFFFAOYSA-N 338.263 5.174 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc(Cl)cc2[nH]1 586971867 ZRNJSVYCBOESIL-UHFFFAOYSA-N 329.669 5.407 0 1 EKAF Cc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587060035 YSNSSXVCXJKMCU-UHFFFAOYSA-N 349.659 5.072 0 1 EKAF Cc1ccc2c(ccc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c32)n1 587085947 PMSSWWTUFAKVIM-UHFFFAOYSA-N 344.805 5.288 0 1 EKAF Cc1c(F)ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113862 OENCWHCUXCWNDU-SNVBAGLBSA-N 336.332 5.375 0 1 EKAF CCC[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207166 JGIBWDYFYSAZFF-AWEZNQCLSA-N 327.427 5.351 0 1 EKAF c1ccc(COc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 587213799 LKCURLJEFVYYSJ-UHFFFAOYSA-N 337.422 5.579 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)C)(c1ccc(Cl)cc1)O2 587379790 WRIFPOBVYJCZHB-HXUWFJFHSA-N 343.854 5.137 0 1 EKAF CCCC[C@@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 587487734 HARUPFJGAIVBLP-QFIPXVFZSA-N 338.447 5.396 0 1 EKAF O=C1C[C@](CC2CC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587524514 NYCRYOYHHOPKGU-HSZRJFAPSA-N 332.443 5.226 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(-c2ccccc2)no1 963241659 NGAKYWINFFCARM-AOMKIAJQSA-N 332.447 5.088 0 1 EKAF CC(=O)OC(C)(C)[C@H]1C=C2C=C2CCC=C(C)CCC=C(C)CC1 2356790038 FAMFGSIYALRNBN-OAQYLSRUSA-N 328.496 6.058 0 1 EKAF CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863314 DPXNHQRHUSQCJX-UHFFFAOYSA-N 346.430 5.185 0 1 EKAF Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2[C@H]2CC[C@@H]3C2)cc1 17252460 VUYJQNGDBIDWOQ-KDURUIRLSA-N 330.496 7.064 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1 72184111 HNFXQYHDBDKWDZ-SFHVURJKSA-N 348.490 6.067 0 1 EKAF CCCCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 95552755 OWGWQXYERIAGRG-SNVBAGLBSA-N 331.637 5.017 0 1 EKAF C/C=C/C=C\CCCCCCCCCCC[C@]1(OC)C=CC(=O)O1 206834765 TXXJITWKACQCHC-DEFOZPDESA-N 334.500 5.866 0 1 EKAF Oc1cccc(-c2cc(-c3ccsc3)cc(-c3ccccc3O)n2)c1 473135451 PTMCXHZHWIBVLP-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF COc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1OC 587055820 XUVRYCVGHHUSDO-VOTSOKGWSA-N 349.217 5.057 0 1 EKAF CCCC[C@H](CO)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101776 QBHRZDURNCPBKL-OAHLLOKOSA-N 345.442 5.021 0 1 EKAF Clc1ccccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)o1 587209564 RKEWGZNPQHQXDV-UHFFFAOYSA-N 331.802 5.914 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C3CCC3)c(NC(=O)OC(C)(C)C)c2c1 587640582 BGULBWQCZICQHG-CYBMUJFWSA-N 342.483 6.296 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(C)cc(C)c3)c2c1 587641872 ICUARARNFOZBQA-OAHLLOKOSA-N 334.463 5.859 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)F)c2c1 587642760 PZVYKALTYWMWJV-GFCCVEGCSA-N 327.374 5.796 0 1 EKAF O=C(Cn1ccc2c3ccccc3nc-2c1)c1ccc2ccccc2c1 1772580555 OPEUEROOUTWPQQ-UHFFFAOYSA-N 336.394 5.177 0 1 EKAF CCCCCCSc1ccc(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1 1857611221 XANFNVUDCJCYTD-JLTOFOAXSA-N 339.932 5.289 0 1 EKAF Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@H]2CC(C)C)n1 12448280 QHMQAJKQNLVVLL-OAQYLSRUSA-N 333.479 5.017 0 3 EKAF Oc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1 6096034 GHLIXCKZQCRDAX-LJQANCHMSA-N 345.486 5.365 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2[nH]c2ccc(C=O)cc23)O1 14611187 NOHLJRMJSLRNGL-HSZRJFAPSA-N 345.442 6.044 0 1 EKAF biogenic C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO 14691389 ZQCPSDWUSDOQTE-PSMGVCQDSA-N 344.495 5.230 0 1 EKAF CN(CCSC1=Cc2ccccc2Oc2ccccc21)CC1CC1 27557524 RQOFBHQGCMDOGJ-UHFFFAOYSA-N 337.488 5.365 0 1 EKAF CC[C@H](C)n1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21 27709119 LSSHDTYMJBZJNY-HNNXBMFYSA-N 330.431 5.836 0 1 EKAF Clc1ccc(C2=NO[C@@H](c3ccc(Cl)c(Cl)c3)O2)cc1 40412788 IPDSDHBOQIJVLD-AWEZNQCLSA-N 328.582 5.054 0 1 EKAF CC(C)(C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=S)cc1 64549784 IKOJKDYNVJNCMB-UHFFFAOYSA-N 345.851 5.264 0 1 EKAF CC(C)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 71296674 CKLYGVQEJIOHTB-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF CCN(CC)CCc1c(-c2ccccc2)sc2ccc(Cl)cc12 169319176 WYRIGGPDVFBNQE-UHFFFAOYSA-N 343.923 6.106 0 1 EKAF CC(C)(C)N1CC(N2c3ccccc3Sc3ccc(Cl)cc32)C1 169333192 SGJXQZZWGAROBK-UHFFFAOYSA-N 344.911 5.425 0 1 EKAF CC(C)=CCC[C@]1(C)Oc2cc(C)cc3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 238788378 XJZUAVILVOHKCU-XQTRSNPVSA-N 326.480 5.927 0 1 EKAF Cc1cnc(Cl)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 587054300 OBDRFZFDEVVXHE-AATRIKPKSA-N 338.625 5.397 0 1 EKAF Cc1ccc2c3c(cc([C@@H]4C[C@@H]5C=C[C@H]4C5)nc13)-c1ccccc1C2=O 587099511 LJMUXGOXURXVHC-ZRGWGRIASA-N 337.422 5.434 0 1 EKAF C[C@@H]1c2ccccc2Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206471 DLPJNSNDGKDTEH-CQSZACIVSA-N 347.417 5.502 0 1 EKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587241651 GFCDKCXKSVXLGH-UHFFFAOYSA-N 349.478 5.512 0 1 EKAF CCCC/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815544 NNRLIRDBADIKRG-UOHNLSDESA-N 340.280 5.084 0 1 EKAF CC1=C(C[C@H]2c3ccc(F)cc3C[C@H]3CCCN23)C(C)(C)CCC1 963118872 XVWCULCITWRUOR-NQIIRXRSSA-N 327.487 5.804 0 1 EKAF O=C1C[C@H](c2ccccc2)Cc2nc3ccccc3c(-c3ccccc3)c21 1772599108 MVMMLSZOHDXGPS-LJQANCHMSA-N 349.433 5.815 0 1 EKAF Cc1scc(C[S@@](=O)C(c2ccccc2)c2ccccc2)c1C 1772623870 CATFUQWMHHVFPO-HSZRJFAPSA-N 340.513 5.403 0 1 EKAF CCc1nc2ccc(C)cc2n1CCCCNc1cccc(Cl)c1 1857644854 ANWHLGHMLUDAGY-UHFFFAOYSA-N 341.886 5.453 0 1 EKAF CC=C1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356322440 FGSFYZNXYHDZKI-NNXZOMJWSA-N 344.539 5.907 0 1 EKAF CC(C)c1cccc(-c2nc3/c(=N/c4cccc(F)c4)[nH]ccc3[nH]2)c1 74386765 YHPBOVYGNNJWGL-UHFFFAOYSA-N 346.409 5.053 0 3 EKAF COc1cccc2c1CCC[C@@H]2CCCCN1CCCC(C)(C)C1 13781285 WEUUSZNKIJMTMI-SFHVURJKSA-N 329.528 5.407 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)OCC 34363627 OWKGEPMKWDOLFO-XEGANCEHSA-N 348.527 5.666 0 1 EKAF CSCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45257983 NIMZZWGHIZCSPU-UHFFFAOYSA-N 343.536 5.649 0 1 EKAF CCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45371719 QDIOFGGSTXUCLN-UHFFFAOYSA-N 337.419 5.667 0 1 EKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2Cc2cc3ccccc3n21 49047914 NEPLKJAINOWIJL-JFSTXAPLSA-N 335.491 5.334 0 1 EKAF CCC(=O)[C@@H]1[C@H](c2ccc3cc(C(C)C)ccc3c2)C[C@H]2CC[C@H]1N2C 136902357 OBQNBIYHGKLYKZ-JTOYRKQZSA-N 349.518 5.509 0 1 EKAF CC(=O)O[C@@H]1C/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC/C=C/1C 140187642 VBJWNHGUYDLOJR-VIDNTLQTSA-N 330.512 6.304 0 1 EKAF C(=C/c1n[nH]c2cc(-c3cccc4[nH]ccc34)ccc12)\c1ccccc1 167132461 YYACQUMIBGJZAT-FMIVXFBMSA-N 335.410 5.882 0 1 EKAF CO[C@@H]1C=C(C)[C@]2(C)CC[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2C1 238761178 CGVBOYIYAFIARZ-BXTFPHJYSA-N 336.516 5.301 0 1 EKAF CC/C=C\C=C/C=C\C=C\CCCCCCCCOC(=O)CC(C)C 238766110 QVLFQVORFCICKZ-JDMHARMQSA-N 346.555 6.941 0 1 EKAF CCCCC1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 586893811 YUWBIARBKCPGRS-UHFFFAOYSA-N 325.283 6.334 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(F)F)CC3 587103974 PCYXUONLWBVGQD-GFCCVEGCSA-N 349.380 5.206 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587152259 KXOFRBNEUCGYLU-YUMQZZPRSA-N 340.707 5.044 0 1 EKAF CC(C)(C)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2n1 587174773 LHSQDCSPKWHCIJ-UHFFFAOYSA-N 342.805 5.196 0 1 EKAF Cc1cc(O)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207663 UVMOMJHAIANRTL-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF O=C1C[C@H](c2csc3c2CCCC3)Oc2c1ccc1c2CCCC1 587535780 ONJGTEMXNFXQPM-LJQANCHMSA-N 338.472 5.212 0 1 EKAF Oc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784277 OJYIMQARVLMJRH-KAMYIIQDSA-N 342.398 5.018 0 1 EKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)cc1 587865949 QGBRRSWVZAWACZ-UHFFFAOYSA-N 346.352 5.265 0 1 EKAF CCCCCC1=C(C)CC[C@]12c1c(F)cccc1C[C@H]1CCCN12 963105504 MQHXCKPTIVIVOR-XMSQKQJNSA-N 327.487 5.732 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@H](C)C(=O)c1ccccc1 963225613 FNNHEZKPYWFZSJ-PNCHPQGNSA-N 335.491 5.077 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C[C@@]12CS2 2356501930 RAGKRCXTWZPJJM-ZBOQVXOYSA-N 332.553 5.330 0 1 EKAF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=CC=C(C(C)C)CC[C@@H]1C 2356593508 MMNOSRQYAMPCGC-SIKLNZKXSA-N 332.528 6.383 0 1 EKAF CCC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CCC 13557160 MKSJBHCJLVFXFE-HZPDHXFCSA-N 348.486 5.953 0 1 EKAF CC(C)c1ccc(S[C@@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 13604925 BNBRNLQOFINBDV-IBGZPJMESA-N 348.895 5.642 0 1 EKAF Cc1cccc(-c2noc3cnc(N[C@@H](C)c4ccccc4)cc23)c1 40951784 RMKFZACOOVWLAE-HNNXBMFYSA-N 329.403 5.371 0 1 EKAF CCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 43078383 WRIOMNWYCFMMEY-UHFFFAOYSA-N 341.454 6.052 0 1 EKAF Cc1cc(=O)c(-c2ccc(Sc3ccc(Cl)cc3)cc2)c(C)[nH]1 45316377 VFXZYVNBCZBCOJ-UHFFFAOYSA-N 341.863 5.463 0 1 EKAF C/C1=C/C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H](O)C(C)(C)CCC1 169342389 JRSLQKPYZJDQRG-MJAVELMTSA-N 342.479 5.066 0 1 EKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3ccccc3O)n2)cc1 473136101 XDMGKSZLZDIARS-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(C)c(F)cc2[nH]1 586971298 QQUUUWCIIMUJGI-UHFFFAOYSA-N 327.241 5.201 0 1 EKAF Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 587048855 ZHVWQAVKIMBTDO-UHFFFAOYSA-N 339.225 6.204 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)cccc2[nH]1 587066168 GTHCWWUSDADKOQ-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF Cc1cc(C)cc(O[C@H](C)C(=O)c2coc3ccc(Cl)cc23)c1 587276189 MWPUVBRGLGSZMI-CYBMUJFWSA-N 328.795 5.353 0 1 EKAF COc1cccc(-c2cc(/C=C/N(C)C)nc3c2oc2ccccc23)c1 587361164 XDLUBCLCTZUVLW-VAWYXSNFSA-N 344.414 5.189 0 1 EKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524650 PLSOVQVFLCTMRO-MIZPHKNDSA-N 332.443 5.093 0 1 EKAF Clc1ccnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587949645 JUONYBXGVVZKEB-KHPPLWFESA-N 347.805 5.574 0 1 EKAF c1ccc2cc(N=c3[nH]c(-c4cc5ccccc5o4)cs3)ccc2c1 621429377 SPUIAXZLMKRGOC-UHFFFAOYSA-N 342.423 5.875 0 1 EKAF O=C(Cc1ccc(-c2ccc3[nH]ccc3c2)cc1)OCc1ccccc1 653799905 FBPQSZFCIPQKSX-UHFFFAOYSA-N 341.410 5.121 0 1 EKAF CC(C)=CCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 1772593453 LIDTVZWSKYLLRO-UHFFFAOYSA-N 330.815 5.329 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2OC 14410907 KEQVPNIOSICVBG-HYFFOGBASA-N 346.511 5.699 0 1 EKAF biogenic CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCCCC(=O)O 14449083 MGUZOUCQDDHSGO-RFPXNJKWSA-N 346.511 5.744 0 1 EKAF Cc1ccc(SCCCCC[C@@H](CN)c2ccc(F)cc2)cc1 27765197 JJBWIXHOEBRSFT-SFHVURJKSA-N 331.500 5.529 0 1 EKAF CC1(C)C(=C(c2ccc(O)cc2)c2ccc(O)cc2)[C@@]2(C)CC[C@@H]1C2 29344778 QAUMFYYKPXCJLD-HXOBKFHXSA-N 334.459 5.746 0 1 EKAF CNc1cc(Nc2ccc(-c3nc4ccccc4s3)cc2)ccn1 40872929 SPSMUNLXZBAXDD-UHFFFAOYSA-N 332.432 5.144 0 1 EKAF Cc1ccc(OCc2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 82011559 UIPYWGXBBFFEEL-UHFFFAOYSA-N 344.414 5.029 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@@H]1CC[C@@H]3O1 101854119 PXSMEPRWQNYAIL-PMACEKPBSA-N 331.459 6.049 0 1 EKAF CN(C)c1ccc([C@@H](C[C@H](N=O)c2ccccc2)c2ccccc2)cc1 169730270 YEKDMJNHXWXNCA-GOTSBHOMSA-N 344.458 5.782 0 1 EKAF COc1cccc(-c2ccc(-c3nc4c(C)ccnc4[nH]3)c(Cl)c2)c1 587052312 NJDYPFIWIPPDNC-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Fc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1F 587112087 KJWGDWGOOOHTOC-UHFFFAOYSA-N 349.262 5.075 0 1 EKAF Cc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113187 SSCRFVWHANSVEA-UHFFFAOYSA-N 327.309 5.105 0 1 EKAF CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2c(C)cc(Cl)cc12 587623968 AZIBMIPDGZPPRF-UHFFFAOYSA-N 335.737 5.000 0 1 EKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cccc(F)c12 587636726 FZOMTVBDCAWEDX-OAHLLOKOSA-N 332.419 5.078 0 1 EKAF CCCOc1ccccc1-c1nc(-c2ccc(F)c(F)c2)cs1 587922736 YPZXQFQAYGGBGM-UHFFFAOYSA-N 331.387 5.544 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1 587923039 MOYWFIGUQAMDRP-UHFFFAOYSA-N 325.408 5.548 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587930281 NVICNKMOIGWBIW-ZHRRBRCNSA-N 334.463 5.314 0 1 EKAF Cc1cc(C)cc([C@@]2(C(C)(C)C)NCCc3cc(C)c(F)cc32)c1 962141402 CISCKGXTZVJYGY-JOCHJYFZSA-N 325.471 5.186 0 1 EKAF Cc1cc2c(cc1F)[C@](c1c(C)cccc1C)(C(C)(C)C)NCC2 962148128 RDINQAPPPUFYNL-QFIPXVFZSA-N 325.471 5.186 0 1 EKAF CCCCCC=CCC=CCCCCCCC[C@H](O)CC(=O)OC 2356321759 RUZSDNSSGRCGGT-FQEVSTJZSA-N 338.532 5.724 0 1 EKAF COC(=O)[C@@H]1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356584896 WRHCVRFRGNAASQ-BMOGTECYSA-N 332.484 5.244 0 1 EKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCCCC(=O)OC 2356649144 BBRHWQWHVYKTON-HXUWFJFHSA-N 332.484 5.052 0 1 EKAF COc1cccc(Nc2nccc3c2cc(-c2ccsc2)n3C)c1 74386950 GRDGWRSZZOMOPL-UHFFFAOYSA-N 335.432 5.054 0 3 EKAF CC(C)=CCC[C@@]1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1 14585296 VEZSSHVWEILOAM-QHCPKHFHSA-N 345.442 6.044 0 1 EKAF endogenous,in-man Fc1ccc(Oc2cc(NCc3cccc4ccccc34)ncn2)cc1 82067831 NGTZXXJOXNCXCS-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@@H]41)O3 104352314 SCQKOFCBSCEEQG-QZMQVMSPSA-N 331.459 5.886 0 1 EKAF in-man C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/CN=O 169684383 JBSOEEVELDJWHD-IHJFQJIVSA-N 329.484 5.003 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@H]1[C@H](C)C[C@H]3C(C)(C)CCC[C@]34CO[C@@H]2[C@@H]14 238760127 ADRYYXMGPFFUGO-PUNMGSMHSA-N 342.479 5.002 0 1 EKAF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3O)[C@]2(C)CCCC=C12 253704506 PFMMKGGPOLDMEE-OXFOUTFXSA-N 344.583 6.507 0 1 EKAF Cc1cc2c(Br)ccc(-c3nc4ccc(F)cc4[nH]3)c2o1 587002672 CHXSESRNCREHFR-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF Cc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1C 587017835 QUMZJUTZBJNNEA-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587151930 WWLOGJUKNWZDLG-SSDOTTSWSA-N 343.160 5.288 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587171132 ZTCYYASGKNXCNI-MRVPVSSYSA-N 340.345 5.015 0 1 EKAF CCCC1(CCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358846 YSQVHEWCZOXQNV-LJQANCHMSA-N 342.410 5.229 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](c1ccccc1)C(C)C)CC2=O 587487987 HIULOVIIUCMKDN-RTWAWAEBSA-N 338.447 5.118 0 1 EKAF Cc1cc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499416 IVRCMHFKVHBKNM-LJQANCHMSA-N 326.823 5.234 0 1 EKAF CC(C)(C)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521754 FYUQAWOSPYDWOR-XMMPIXPASA-N 348.486 5.744 0 1 EKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631101 GGPPRNLJGPQQMD-SECBINFHSA-N 340.826 5.109 0 1 EKAF CCCCc1oc2ccccc2c1[C@@H]1NCCc2c1sc(C)c2C 963008863 KESSXKQTQFEBQM-FQEVSTJZSA-N 339.504 5.689 0 1 EKAF CSC1=Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1C(C)C 1857640987 OKFDMOCZGNMFDF-KRWDZBQOSA-N 342.895 5.609 0 1 EKAF CC(C)N(CC1=C(Cl)c2cc(Cl)ccc2SC1)C(C)C 1857769458 LQXWCKXWJNNRPZ-UHFFFAOYSA-N 330.324 5.514 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@@H](C)CCCc1ccoc1 2356632487 DARLMVMUSMRSIS-SFHVURJKSA-N 328.452 5.760 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)C(=O)O 13540452 CQJGVSCAFSXDSB-FGTMMUONSA-N 326.521 5.715 0 1 EKAF in-vitro c1ccc(CN2CC[C@H]3C(=C(c4ccccc4)c4ccccc43)C2)cc1 28261224 RYRBJSFQIXSOOF-JOCHJYFZSA-N 337.466 5.492 0 1 EKAF O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cn1)c1ccccc1 40429546 RGPBUIWGKGNPEW-UHFFFAOYSA-N 342.320 5.020 0 1 EKAF c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 64447988 PKHYHVWOZRJTDV-UHFFFAOYSA-N 342.533 5.298 0 1 EKAF Cc1ccc2c(c1)C(=O)N(c1ccccc1)[C@@H](c1ccc(C)s1)N2 95582803 HWWJBKBWBSJLIY-IBGZPJMESA-N 334.444 5.136 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2n1 586896306 AGNRZLIAORWAAA-UHFFFAOYSA-N 343.430 5.295 0 1 EKAF CCCC(Br)(CCC)c1nc2c(C)cnc(Cl)c2[nH]1 586971846 YZURPOBYDQEPHV-UHFFFAOYSA-N 344.684 5.110 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2n1 587098085 QUDBRFALFNRIKS-UHFFFAOYSA-N 337.320 5.080 0 1 EKAF Cc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099679 RZFNLWIKIAPTMD-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587405214 JUBSXOVGTNEZBF-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccco3)c1)CC2=O 587480911 LNXCOIYZFRCHGR-OAQYLSRUSA-N 348.398 5.311 0 1 EKAF O=C1C[C@@]2(CCCC[C@@H]2c2ccccn2)Oc2c1ccc1c2CCCC1 587513689 DZVCRULCQQGSLZ-AUSIDOKSSA-N 347.458 5.022 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Cc1ccc(Br)cc1 587623431 GNYCQPYWNVAMCD-UHFFFAOYSA-N 348.671 5.791 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(F)(F)F)c2c1 587643900 YNORDMYXXAYICL-GFCCVEGCSA-N 333.353 6.247 0 1 EKAF Cc1c2c3c(c4ocnc14)[C@H](C)CC[C@@H]3[C@H](C)[C@H]2C=CC(C)(C)O 2356445679 JSKUEIQCYRLEIS-AYRXBEOTSA-N 325.452 5.178 0 1 EKAF Cc1ccc2c(c1SC(Cl)=CCl)C(=O)c1ccccc1C2=O 3845057 IDWQMGIDWXFRRP-UHFFFAOYSA-N 349.238 5.139 0 1 EKAF biogenic CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1c(O)ccc(O)c1O 14858375 RKQAGRNQCPPFNA-STCFGPAYSA-N 330.468 5.145 0 1 EKAF biogenic CCOC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(O)c1 28890642 JYDBWBMDSHFRMZ-QIYIKKHUSA-N 344.451 5.040 0 1 EKAF Fc1c(Cl)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1F 587024145 WUTHTGYCPXIKNS-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF Fc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c(F)c1F 587024736 BJSGZSAMIXRJAU-UHFFFAOYSA-N 330.334 5.376 0 1 EKAF CC(C)(C)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036455 BUAHVWVSQAFCKS-INIZCTEOSA-N 328.506 5.301 0 1 EKAF Cc1c(F)ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050575 PVQXORPVAMSYBK-UWVGGRQHSA-N 335.209 5.588 0 1 EKAF Cc1ccc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1F 587146397 KMTWPTRAPLFJGD-XFXZXTDPSA-N 344.389 5.973 0 1 EKAF Cc1ccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587405220 JUIFKASUCNJTMB-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF Cc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587516458 SXTCQQBPRQIIPN-QFIPXVFZSA-N 345.442 5.072 0 1 EKAF O=C1C[C@@H](c2cccc(-c3ccco3)c2)Oc2c1ccc1c2CCCC1 587534587 WKJUEJRNKORFSR-QFIPXVFZSA-N 344.410 5.532 0 1 EKAF CC[C@H](C)C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587813924 QQTKKNYZFORYKE-JKDFXYPNSA-N 342.296 5.164 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(F)cc(F)c4[nH]3)ccc2c1 587934333 JUFUODNORQCTDE-LLVKDONJSA-N 338.357 5.155 0 1 EKAF CCC[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C 587954868 HBDGMJHUPVMFSO-SNVBAGLBSA-N 329.669 5.519 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(O)cc2[nH]1 587957734 RROTZCZTOLPCBO-UHFFFAOYSA-N 346.471 5.187 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]2(C)c1cccc(-c2ccccc2)c1 963011318 PDZSPCXCHJFRTC-QFIPXVFZSA-N 333.500 5.441 0 1 EKAF CC(=O)O[C@H]1CC(C(C)C)=CC=C(C)CCC=C(C)CCC=C1C 2356543882 VBJWNHGUYDLOJR-QFIPXVFZSA-N 330.512 6.304 0 1 EKAF C[C@]1(Cc2ccccc2Cl)C(=O)Nc2c(Cl)ccc(Cl)c21 61906367 NLHRCBMUXNXGKA-MRXNPFEDSA-N 340.637 5.099 0 3 EKAF COc1ccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)C(C)(C)C)cc1 102879412 HTUPCAPIZVAUOT-DYESRHJHSA-N 349.474 5.169 0 3 EKAF CC(C)[C@H]1CC[C@@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O 3896089 JLBHTGXFDNZNJL-ZINXYGQCSA-N 336.475 5.274 0 1 EKAF c1ccc(CCNCCC2c3ccccc3Sc3ccccc32)cc1 13685329 BTFWDABQNDILAN-UHFFFAOYSA-N 345.511 5.506 0 1 EKAF CC(=O)c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 13743617 QXFUZAYIMAGSKV-SFHVURJKSA-N 348.489 5.100 0 1 EKAF O=C(O)CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl 27102658 KAQPSHJZRXDHMW-UHFFFAOYSA-N 336.818 5.149 0 1 EKAF CCN(CC)c1cc(/C=C\c2ccc3ccccc3c2)ccc1OC 28113088 DQERTKIZFFLPRL-KHPPLWFESA-N 331.459 5.865 0 1 EKAF CCCn1c(-c2cc(-c3c(C)cccc3C)ccc2OC)nc(C)c1C 45358314 YLYOFCABHCRWNJ-UHFFFAOYSA-N 348.490 5.869 0 1 EKAF COc1cc(Cl)ccc1C(=S)Nc1ccc(C(F)(F)F)cc1 84741320 RYJRTUCEQMVTHA-UHFFFAOYSA-N 345.773 5.155 0 1 EKAF Cc1ccc(NC2=NN=Cc3cc4cc(C)ccc4nc3S2)c(C)c1 98082438 FXIHSQXLYRANKZ-UHFFFAOYSA-N 346.459 5.068 0 1 EKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccccc2)CCCC1 103298738 SBKJDWNLMOZBLQ-UHFFFAOYSA-N 332.491 5.008 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3ccccc3)cccc21 143326920 IGTFWUFOBIZASQ-IBGZPJMESA-N 326.317 5.132 0 1 EKAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1CCCCc1ccccc1 149267087 SOTXRBRECFGWCR-AVRDEDQJSA-N 348.465 5.392 0 1 EKAF Cc1ccc(-c2cnc(C3(NCCC(C)(C)C)CCCC3)[nH]2)cc1 473090163 NCPGWDDDGHUNDT-UHFFFAOYSA-N 325.500 5.180 0 1 EKAF c1ccc(Sc2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1 586900860 FUJMYWZLBJUJCQ-UHFFFAOYSA-N 332.428 5.852 0 1 EKAF COc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587050142 OUZLECHXYMHAIP-MNOVXSKESA-N 347.245 5.458 0 1 EKAF Clc1ccccc1-c1nc(-c2nc3cc4ccccc4cc3[nH]2)co1 587061230 RUAIVDTYHCVVAG-UHFFFAOYSA-N 345.789 5.692 0 1 EKAF Cc1cc(F)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587077509 ZXXZHDRMSKSSFV-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF COc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(C(F)(F)F)c1 587096891 DIMJQDDVHXIRER-UHFFFAOYSA-N 344.695 5.050 0 1 EKAF Fc1cc(F)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587112687 QBZFNPWFGIFMFM-UHFFFAOYSA-N 349.262 5.075 0 1 EKAF Cc1cc(C)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587146104 ZQMCMDNIZLEUBC-UHFFFAOYSA-N 334.369 5.792 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3c(C)cccc3c1C)CC2=O 587482716 JXZLOQAEGZDYLV-LJQANCHMSA-N 349.430 5.149 0 1 EKAF CCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503002 KCEVKNSEFCFWFT-QFIPXVFZSA-N 338.422 5.365 0 1 EKAF CCCCCC[C@]1(CCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526633 VYRDLBYIDCAYHM-JOCHJYFZSA-N 328.496 6.040 0 1 EKAF CC(C)(C)c1ccc(C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527429 VWVBUQPJABIFSB-IBGZPJMESA-N 348.486 5.439 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cccc(C(F)(F)F)c1 587629939 OJXIPOHNJZZTCM-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 587636985 RNNRNDSHDGGCIF-INIZCTEOSA-N 332.419 5.078 0 1 EKAF COc1cc(C)ccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587924732 CVZRTVNVALKIBA-UHFFFAOYSA-N 346.455 5.698 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(O)c2[nH]1 587957183 HXZSNZDYJWSFSX-UHFFFAOYSA-N 346.471 5.187 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(Cl)cc3)n2)cc1 653737634 MWGXIXAHCSQYGE-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF C[C@@H]1C[C@H](C(=O)Nc2nc3c(Cl)cccc3s2)CC(C)(C)C1 1857775189 IUYCRBYBLXZBLK-MNOVXSKESA-N 336.888 5.351 0 1 EKAF CC(C)=CCCC=C(C)COc1c2ccoc2cc2oc(=O)ccc12 2356381611 SKKREZRZABBPNE-UHFFFAOYSA-N 338.403 5.611 0 1 EKAF C=CC(C)=CC[C@H]1[C@@]2(C)CCC[C@@](C)(COC(C)=O)[C@H]2CC[C@@]1(C)O 2356382796 ODZIXXROBXQYOH-LLVBAIKDSA-N 348.527 5.046 0 1 EKAF COc1ccc(-c2ccc(-c3ccccn3)o2)cc1OC1CCCC1 7517 XWVSZQHLLOXQKA-UHFFFAOYSA-N 335.403 5.339 0 1 EKAF Cc1ccc(C(=O)CSC(=S)SCc2ccccc2)cc1 28709961 MXCVGEMRVKYOCD-UHFFFAOYSA-N 332.515 5.129 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2cccc(C(=O)O)c2)c(O)c1 28822135 BSCVBLAAUQIHKD-UHFFFAOYSA-N 340.463 6.005 0 1 EKAF O=C(CCCc1ccccc1)Nc1cc(-c2ccccc2)ccc1O 29127586 SVLOPJCWWVPSSD-UHFFFAOYSA-N 331.415 5.021 0 1 EKAF CCc1nc(-c2ccc(C)cc2OC)c(CC)nc1NC(CC)CC 34042998 XNUQKEHOARAXIL-UHFFFAOYSA-N 341.499 5.186 0 1 EKAF CCc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40864326 KSLFZSFKLYRNIU-FQEVSTJZSA-N 340.854 5.309 0 1 EKAF O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(/C=C\c3ccccc3)c21 42966157 ZPNXTAJKEFNJMW-GMGKOPGTSA-N 342.394 5.269 0 1 EKAF CNc1ccc(/C=C/c2ccc(OCCCCCCF)nc2)cc1 45291533 OWDHQEBKQDHVIT-VOTSOKGWSA-N 328.431 5.202 0 1 EKAF Cc1cccc(Nc2nc(-c3ccnc(-c4ccccc4)c3)cs2)c1 72114324 AKBNICONIIGNLZ-UHFFFAOYSA-N 343.455 5.924 0 1 EKAF CC(C)(C)Cc1csc(N)c1C(=O)c1ccc(Cl)c(Cl)c1 103229446 VBPSMJZZSYROPX-UHFFFAOYSA-N 342.291 5.457 0 1 EKAF CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C2CCNCC2)C1 103274448 MFDGVYAVICCSCC-VCFYHUQZSA-N 343.599 6.345 0 1 EKAF CN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 169293308 WFNKSKBXGDSPKW-CABCVRRESA-N 334.438 5.319 0 1 EKAF CC/C=C/C/C=C/C/C=C\C/C=C\CCCCCCCCC(=O)OC 213298498 XKZIJJIPQXQYBG-CRVULPDVSA-N 346.555 7.085 0 1 EKAF CC(=O)O[C@@H]1/C=C(\C)CC[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)C/C=C(\C)C1 238734207 WHLNVYDYKOZJJL-SKULSAEASA-N 348.527 5.188 0 1 EKAF Cc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990742 GHTBIUJGQCGOPB-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF Cc1ccc2c3c(c4c(nc13)Cc1ccccc1C4)-c1ccccc1C2=O 587100440 KCSSFRJFFJTDDG-UHFFFAOYSA-N 347.417 5.250 0 1 EKAF Fc1cc(Cc2nc3cc(Cl)cnc3[nH]2)ccc1-c1ccccc1 587145164 GIGFKRAFWLBQGH-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF COc1cc(OC)c2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2c1 587152898 GOGRNHWUCNSHMA-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2cccc3c2c1CC3 587212572 BODWBZOZPLFQNQ-UHFFFAOYSA-N 337.422 6.101 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2c1 587241940 GHWXNCZOIHEKKQ-UHFFFAOYSA-N 329.403 5.296 0 1 EKAF O=C1C[C@H](c2cccc(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587527483 XBVNWYGSYBVLSD-JOCHJYFZSA-N 348.442 5.061 0 1 EKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccncc2)cc1 587630545 KSZJONTZVXTUAZ-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(F)cc3F)c2c1 587643399 TZHURPKARXGIOQ-LLVKDONJSA-N 342.389 5.520 0 1 EKAF CSc1ccc(-c2csc(-c3ccccc3OC(C)C)n2)cc1 587924846 LNPQCBKIKJITKP-UHFFFAOYSA-N 341.501 5.986 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@@H]2C[C@H]2c2cccs2)N1 962945029 IQIRUMKVBMGSQT-HKHONHPRSA-N 336.504 5.173 0 1 EKAF CC(C)(C)[C@@]1(c2cccs2)NCCc2c(Cl)cc(Cl)cc21 963126282 WLXILJZQZTWPKC-QGZVFWFLSA-N 340.319 5.490 0 1 EKAF C=COc1cc(-c2ccc(OCCC)cc2)nc2c(OC)cccc12 1857634879 DQEXWZYGBOPDKD-UHFFFAOYSA-N 335.403 5.222 0 1 EKAF CO[C@@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccccc2)C1 1911572346 YMPJBKLLEMBQMA-KNQAVFIVSA-N 348.490 5.137 0 1 EKAF CC(C=CC[C@@](C)(O)C=CCc1ccoc1)=CCCc1ccoc1 2356469957 IYMLKVYDGVNSLE-OAQYLSRUSA-N 326.436 5.248 0 1 EKAF CCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 1543678 OZPPXEJMNBVQQU-UHFFFAOYSA-N 341.495 6.237 0 1 EKAF Fc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5933289 PLBMTONBFSMWGQ-UHFFFAOYSA-N 329.589 5.184 0 1 EKAF Oc1cccc(CCCCCCCCCCCCc2ccccc2)c1 14651586 OBJCWODHUKKNOI-UHFFFAOYSA-N 338.535 7.078 0 1 EKAF biogenic Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103283620 YRZLFZZRHOSEGI-QGZVFWFLSA-N 330.431 5.108 0 1 EKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586887243 HRUFHKBEBZVDDH-HWPZZCPQSA-N 335.234 5.015 0 1 EKAF Cc1ccc2c3c(cc(-c4ccc(N)cc4)nc13)-c1ccccc1C2=O 586998094 YABFKAXTJURUHX-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF Cc1c(Cl)ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587074421 XLLHQJOLTJKXDM-UHFFFAOYSA-N 331.246 5.452 0 1 EKAF CCCc1c(C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099590 NWPWROVSOXKANT-UHFFFAOYSA-N 329.443 5.831 0 1 EKAF CC[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526119 PTEONJXIAGIKKQ-HSZRJFAPSA-N 345.442 5.317 0 1 EKAF COc1ccc(Cl)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(C)C 587624967 XKTQTLKDRYHXKD-UHFFFAOYSA-N 348.273 6.582 0 1 EKAF Fc1cc2c(-c3ccccc3F)c(-c3ccccc3)[nH]c2cc1Cl 587629277 HZGFUMKOGAXMLR-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(Cl)c3)c2c1 587642108 OTJOHACBYVDJIQ-GFCCVEGCSA-N 340.854 5.896 0 1 EKAF c1ccc2cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc3cc2c1 587950914 OUNSEDPBOUJVOQ-UHFFFAOYSA-N 332.447 5.202 0 1 EKAF CCCN1[C@H](c2c(-c3ccccc3)noc2C)c2ccccc2C[C@H]1C 963241220 MSEICVCOVAFENK-MWTRTKDXSA-N 346.474 5.396 0 1 EKAF Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccc(F)cc1 1857756753 NQKRAVOXNXTHEY-UHFFFAOYSA-N 336.454 5.123 0 1 EKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccsc2n1 13384 MENMZNJMMPLZBJ-UHFFFAOYSA-N 346.459 5.511 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)C(=O)O 13540453 CQJGVSCAFSXDSB-OKZBNKHCSA-N 326.521 5.715 0 1 EKAF in-vitro C/C(=C\C(=O)N1CCCCC1)c1ccc(O[C@H](C)c2ccccc2)cc1 13782680 DLQHPQMFSBHZOA-ZELAZJAISA-N 349.474 5.242 0 1 EKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3ccc(OC)cc32)cc1 13829840 CUVDZKHXIYZNDB-OFNKIYASSA-N 346.426 5.360 0 1 EKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CCC[C@@H]2/C=C/c1cccc(C(=O)O)c1 29345435 MDXUELSLJRDCPN-CSJKLXBTSA-N 342.479 5.002 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 84688019 CFZDQYWRTXZXFE-GOSISDBHSA-N 338.491 6.026 0 1 EKAF CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 95553631 OWGWQXYERIAGRG-JTQLQIEISA-N 331.637 5.017 0 1 EKAF O=C1C[C@@H](c2c[nH]c3ccc(Cl)cc23)Sc2ccc(Cl)cc21 299841003 XHFTYCNSGMIZMQ-KRWDZBQOSA-N 348.254 5.895 0 1 EKAF Cc1ccc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)cc1C 324245743 HJDXRKADMWYPJG-UHFFFAOYSA-N 331.481 5.046 0 1 EKAF CC(C)c1cc(-c2nc3cncc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896182 JREFSMMHGMBYHV-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF Cc1cc(Cl)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587077663 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2356713697 PHXLGDRTLPKSHN-CZKXMQLUSA-N 344.495 5.341 0 1 EKAF CCCCCC12CCC(c3nnc4n3CCCCCC4)(CC1)CC2 6717978 HISKJZZJMYSEGO-UHFFFAOYSA-N 329.532 5.567 0 1 EKAF CCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccccc1 13558370 AFVCAVOMLFGOQX-UHFFFAOYSA-N 340.426 5.474 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CCCO5)CC[C@@]43C)[C@@H]1CCC2=O 13671519 RYPQMODPXMALLX-JAMPEYMFSA-N 330.512 5.147 0 1 EKAF COc1cc(C(=O)O)ccc1/C=C(C)/C=C/C1=C(C)CCCC1(C)C 28756522 VXWUTFILVRGFFN-ZHHJNAGPSA-N 340.463 5.880 0 1 EKAF Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccc(Oc2ccccc2)cc1 29128425 OYAYGYKHGXPNEC-UHFFFAOYSA-N 348.446 5.449 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\[C@H](O)CCCO 169345755 RSVJYGYZYLKTOX-COTFQZRISA-N 344.539 5.818 0 1 EKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 299869366 UNLFMCMHNOLPLN-UHFFFAOYSA-N 348.333 5.041 0 1 EKAF Nc1ccc(F)c(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587141720 ATCPXAJXZSQLFJ-UHFFFAOYSA-N 349.434 5.026 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Cl)cc(Cl)c2[nH]1 587156301 TWDBDCVAKCLCMN-ZDUSSCGKSA-N 339.197 5.539 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccccc1Cl)CC2=O 587462207 NPLKWLMGFVMNTE-FQEVSTJZSA-N 344.838 5.269 0 1 EKAF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624226 GNVKPBRNDOWVEK-UHFFFAOYSA-N 339.744 5.824 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1Cl 587628333 KUMOTGZLYNWEMF-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587629080 ZQKOVMNUNVNLRJ-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF COc1ccc(Cl)cc1-c1[nH]c2cc(F)ccc2c1C(F)(F)F 587634437 YROVXJDWLFAZQG-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637140 CMLSHUXIRYSEQD-UHFFFAOYSA-N 347.336 5.504 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(CC(=O)O)c2c1 587641823 KEJMLLFLTBXSCO-NSHDSACASA-N 343.373 5.254 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)[C@@H](C)C(=O)c1ccccc1 963225610 FNNHEZKPYWFZSJ-IEGUWTFLSA-N 335.491 5.077 0 1 EKAF CC=CCCCCCCCCCCCCC[C@@]1(OC)C=CC(=O)O1 2356589027 PIYYSSQIVZPOSN-NRFANRHFSA-N 336.516 6.090 0 1 EKAF Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1 72134879 KFKWLAYGLQRAOX-UHFFFAOYSA-N 342.826 5.446 0 3 EKAF CC1=C(c2ccc(C)cc2)NC(=S)[C@@H](C)C(c2ccc(C)cc2)=N1 5156845 DPBJTXPZRKQNTD-HNNXBMFYSA-N 334.488 5.048 0 1 EKAF CCCC/C=C/CCCCCCCCCc1cc(O)cc(OC)c1 14639259 NKOPRUNFJQCUCF-VOTSOKGWSA-N 332.528 6.811 0 1 EKAF CCCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 29237184 NRDKZQMKGUXRPL-UHFFFAOYSA-N 344.798 5.415 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c1 40380032 HAWJYJKVVJPFCT-NRFANRHFSA-N 347.439 5.456 0 1 EKAF CCCCCCOc1ccc(CCCCC(=O)C(F)(F)F)cc1 40873936 AKKQOQJOIIZUSW-UHFFFAOYSA-N 330.390 5.490 0 1 EKAF in-vivo CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(C(C)(C)C)cc1 49785018 NYAAVALHCMHJEL-AYOQOUSVSA-N 331.500 5.533 0 1 EKAF CCOC(=O)c1ccc([C@H]2C[C@@H]2c2ccc3c(c2)[C@H]2CC[C@H]3C2)cc1 195194278 JXPKDVUVFSQUEH-PEYKTXOXSA-N 332.443 5.499 0 1 EKAF Fc1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1C(F)(F)F 586882845 CHNGLCXOJFCCHH-NOTQWWDFSA-N 338.348 5.189 0 1 EKAF Cc1csc(SCc2ccc(-c3nc4ccccc4[nH]3)cc2)n1 587021576 NVBJKYAIATXYBK-UHFFFAOYSA-N 337.473 5.287 0 1 EKAF C[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098352 QPYGFNJVEORHHK-MRVPVSSYSA-N 342.723 5.526 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)CC4)-c1ccccc1C2=O 587100365 HYVPKCAKXAKLPS-UHFFFAOYSA-N 327.427 5.270 0 1 EKAF CC[C@@H]1C[C@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206704 GVVVWZQFWXHCRL-UONOGXRCSA-N 327.427 5.522 0 1 EKAF CC1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 587212678 PZDIDVGXFPKYHT-UHFFFAOYSA-N 328.459 5.237 0 1 EKAF C[C@@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524857 NQEIFGNWXSRHNW-IQMFZBJNSA-N 332.443 5.008 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(C)c(F)cc4[nH]3)ccc2c1 587935332 SYHRPJCBSZQRSJ-CYBMUJFWSA-N 334.394 5.324 0 1 EKAF CC[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587955930 MDOPIRYRCJMABF-NSHDSACASA-N 339.277 5.264 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)c(F)cc2[nH]1 587956160 YKORPIFNHARXIB-UHFFFAOYSA-N 347.231 5.099 0 1 EKAF Oc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793856 GQJCXHWNAOFJPH-INIZCTEOSA-N 340.854 5.634 0 1 EKAF CCSc1ccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cc1 963101414 RLCHYYBTIXXDMR-UTKZUKDTSA-N 341.495 5.222 0 1 EKAF CCCCCC1=C(C)CC[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963105496 MQHXCKPTIVIVOR-AVRDEDQJSA-N 327.487 5.732 0 1 EKAF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=O)c2c1 3675385 OGNGXVKOWRXVPZ-UHFFFAOYSA-N 345.364 6.009 0 1 EKAF COc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5853917 LGPPJWDJGHIEDL-UHFFFAOYSA-N 341.625 5.053 0 1 EKAF CC(C)(C)[C@@H](c1cccc(O)c1)[C@@H](c1cccc(O)c1)C(C)(C)C 29407993 HCDROJIWEMCCPM-BGYRXZFFSA-N 326.480 6.057 0 1 EKAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)c(C)cc12 35328483 GRKZXIUNVAROBR-UHFFFAOYSA-N 336.479 5.839 0 1 EKAF Clc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccn3)c2)o1 45387621 HXZQLHAAWHSDLB-UHFFFAOYSA-N 338.819 5.786 0 1 EKAF COC(=O)c1ccc(/C=C(C)\C=C\[C@@]23C[C@@]2(C)CCCC3(C)C)cc1 101185304 IBEMBIRFSWLHPM-MDQVOZAJSA-N 338.491 6.039 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 586882027 RHKGSXCDHIVCPN-UHFFFAOYSA-N 333.357 5.331 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)o1 586903251 NJLXQMVFLDVYFA-UHFFFAOYSA-N 344.748 5.730 0 1 EKAF CC(C)=C/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992382 WAQGYHVMEPEBQK-FNORWQNLSA-N 327.383 5.131 0 1 EKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2n1 587030523 GHVNCHVMRWZYMH-LBPRGKRZSA-N 348.475 5.225 0 1 EKAF CCc1cc(OCc2nc3cc(C)c(Cl)cc3[nH]2)ccc1Cl 587052715 JJSYWAGFFFBQTH-UHFFFAOYSA-N 335.234 5.320 0 1 EKAF COc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Cl 587085645 YPIVTKVPLARUKG-UHFFFAOYSA-N 344.201 5.094 0 1 EKAF Cc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)o1 587097638 OWDYCUYVWUFLGG-UHFFFAOYSA-N 340.382 5.026 0 1 EKAF CCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350023 DBDLQZKYXBUMQR-TZIWHRDSSA-N 342.410 5.229 0 1 EKAF CC[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504429 WKTUAZPLEOOJSP-NRFANRHFSA-N 340.850 5.490 0 1 EKAF Cc1cccc2c1c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587514504 GMXWBFVFWGHENI-NRFANRHFSA-N 345.442 5.072 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cccc(Cl)c3[nH]2)cc1 587565138 YJDFSHDZEPJZOZ-UHFFFAOYSA-N 328.843 5.483 0 1 EKAF CCO[C@H](C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2N)cc1 587631460 MUGFMUDTDOECHR-SNVBAGLBSA-N 332.806 5.307 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(CN(C)C(=O)OC(C)(C)C)c2c1 587640567 BBKNFXJIPFPAAQ-CYBMUJFWSA-N 330.472 5.357 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2=CCCCC2)N1 587818490 HYJRPHNJFYYRNJ-IAQYHMDHSA-N 338.264 5.054 0 1 EKAF CC[C@@H]1CCC[C@@H]([C@H]2c3ccsc3CCN2Cc2ccco2)C1 962709774 OLPOMZYIRCJGJY-QINHECLXSA-N 329.509 5.657 0 1 EKAF CC[C@@H]1C[C@H](C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962712494 UTZFROIEXRBFRX-QINHECLXSA-N 329.509 5.441 0 1 EKAF CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347898 QSHQKIURKJITMZ-YLSIGKLCSA-N 330.600 7.472 0 1 EKAF Cc1cccc2cc(-c3ccc(OCCCN4CCCCC4)cc3)cn12 1909681 IMIAKLZGXOWQAL-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF Cc1cccc(Cc2nc(SC3CCCCC3)nc(Cl)c2C)c1 6523084 JXOOXNPQNVINKB-UHFFFAOYSA-N 346.927 5.762 0 1 EKAF COc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1C(C)(C)C 13780157 CVNRNJTZYYQYLI-DHDCSXOGSA-N 341.838 5.139 0 1 EKAF Cc1cc(-c2nc3c4ccccc4ccc3n2C)cc(C)c1N(C)C 27710168 KVMJHLJARMHVHS-UHFFFAOYSA-N 329.447 5.076 0 1 EKAF Cc1cc(-c2cc(C3CCN(C)CC3)[nH]c2-c2ccc(F)cc2)ccn1 28472243 AUOITMPSLFBTFB-UHFFFAOYSA-N 349.453 5.000 0 1 EKAF CN(Cc1ccccc1)C12C[C@@H]3CC(C)(C[C@H](C1)c1ccccc13)C2 73224804 PBUVIMNDEIWRGJ-TUUBTQOTSA-N 331.503 5.722 0 1 EKAF COC(=O)c1ccc(/C=C(C)\C=C\[C@]23C[C@]2(C)CCCC3(C)C)cc1 101185300 IBEMBIRFSWLHPM-GEVMDNQWSA-N 338.491 6.039 0 1 EKAF Cc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)cc1CO 117929567 SYSZVMCDVNDLPP-UHFFFAOYSA-N 348.833 5.122 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1C[C@@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@@H]21 231930510 LXZYGXNGSMYQAG-CFHQQDSESA-N 330.512 5.366 0 1 EKAF O=C(O)/C=C/C[C@@H]1[C@@H]2C=CC=C[C@@H]2[C@H]1C/C=C/C=C/c1ccccc1 238757665 AUNSFXNQIFBBRL-GDMZWQAZSA-N 332.443 5.281 0 1 EKAF CCCCC/C=C/C/C=C/CC[C@@H](O)/C=C/C=C/C=C/C(=O)OC 238773264 FWTFYLONKJJMTJ-BZEHZYOGSA-N 332.484 5.052 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 586880896 IEMZBTYXGRRYAA-UHFFFAOYSA-N 344.256 5.075 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)o1 586905368 MYFFQKPWYQLZKZ-UHFFFAOYSA-N 328.415 5.677 0 1 EKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587024111 VYHGDNRFPDYCJM-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Cc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587230284 RKBVDFYNAVWEHO-UHFFFAOYSA-N 348.837 5.199 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c3ccccc13)CC2=O 587479716 AHHOHOJNVFGBCP-JOCHJYFZSA-N 349.430 5.015 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587529815 DXHZDLPEXZYPDC-HXUWFJFHSA-N 332.399 5.327 0 1 EKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)c2cccc(C)c2n1 587874744 JMDWAYPYMYCTRU-UHFFFAOYSA-N 331.350 4.949 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587952383 PVJBCAYARGGLJR-DZKIICNBSA-N 329.488 5.302 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1c[nH]c2cc(F)ccc12 963241866 OEIMFOUMWGGTTN-QRQCRPRQSA-N 336.454 5.227 0 1 EKAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2[C@H](C)CC[C@H](C)CC(C)(C)C 963728600 GZHFITXBHAXELA-RZQQEMMASA-N 325.540 6.390 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CS1 13835181 KEUSUQKYRBAZTR-FJWDNACWSA-N 332.553 5.042 0 1 EKAF COc1ccc2c(c1)[C@H](N(C)C)C[C@@H]2c1ccc(Cl)c(Cl)c1 29483315 WJBOEJSDTQYWJJ-RDTXWAMCSA-N 336.262 5.140 0 1 EKAF CC/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 34961934 XLYRHVKBJYDBOS-JTFGAIIUSA-N 342.479 5.536 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1ccccc1OC 71294614 YDXXBJOBZMLODM-QHCPKHFHSA-N 348.490 5.096 0 1 EKAF CCCCC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1Cc1ccccc1 221356464 FZMKPAFVMLIFMM-UHFFFAOYSA-N 349.430 5.138 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC=C(C)[C@@H]2CC/C(C)=C/CO 238746508 PDJCFUBZSXJGDN-GBHCZHHOSA-N 348.527 5.047 0 1 EKAF CC[C@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100602 LYVAEENISXHLNB-XMMPIXPASA-N 341.454 5.660 0 1 EKAF COc1cccc(-c2cc([C@@H]3CCCO3)nc3c2oc2ccccc23)c1 587367080 YIDVHGZLJPCLBK-FQEVSTJZSA-N 345.398 5.508 0 1 EKAF CC[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505406 MWYHQCPULVXKMB-NRFANRHFSA-N 342.385 5.114 0 1 EKAF O=C1C[C@H](C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 587524048 JUAFMKAJDHJWSS-PACMTNNTSA-N 336.475 5.116 0 1 EKAF CC1(C)CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525425 PQMJHKKHPNHHJI-DEOSSOPVSA-N 346.470 5.399 0 1 EKAF Cc1ccccc1[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525907 SVYDIABGXJOWRC-HSZRJFAPSA-N 334.459 5.391 0 1 EKAF C[C@@]1(CCC2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525996 UMXMDTFOBYWVHD-JOCHJYFZSA-N 326.480 5.650 0 1 EKAF Fc1cc2c(Cc3ccccc3)c(C(F)(F)F)[nH]c2cc1Cl 587630077 QKWKXTQNXGCYIG-UHFFFAOYSA-N 327.708 5.570 0 1 EKAF CC(C)=CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812778 KIDZPFQAEFEMME-SJKOYZFVSA-N 340.280 5.084 0 1 EKAF Cc1cc2nc(C(C)(C)c3ccccc3C)[nH]c2cc1Br 587955567 QDKUJTRPNLNHPF-UHFFFAOYSA-N 343.268 5.268 0 1 EKAF CC(=O)[C@]1(C)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356744680 ZSLFGNQZRMYDJQ-CLUDFLJMSA-N 344.539 5.151 0 1 EKAF CC(=O)OC(C)(C)[C@H]1CC=C(C)CCC=C(C)C[C@@H](O)C=C(C)CC1 2356802307 SBZJHVNXTCIAGI-LEWJYISDSA-N 348.527 5.498 0 1 EKAF CCCCc1c2c(nc3c1CCC[C@H]3O)/C(=C/c1ccccc1)CCC2 13214793 FDVUQCGLZRMZJI-WTYVIMSDSA-N 347.502 5.671 0 1 EKAF CC[C@]1(c2cccc(Cl)c2)Cc2ccccc2-n2cccc2C1=O 13675371 BBHRXLPMHTVRTP-OAQYLSRUSA-N 335.834 5.218 0 1 EKAF CC[C@H](Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1 28956266 WREQFRHVBVFFIS-SFHVURJKSA-N 348.450 5.152 0 1 EKAF CC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCCCCCC(=O)OC 32183267 KDWSWRXUIMELKF-WMDQAZIPSA-N 334.544 5.989 0 1 EKAF biogenic CC(=O)c1sc(Nc2ccccc2)c(C(=O)c2ccccc2)c1C 40914910 NLKFYSZQQMQGLY-UHFFFAOYSA-N 335.428 5.234 0 1 EKAF CC1(C)C=Cc2c(ccc3c2oc2ccc4c(c23)C=CC(C)(C)O4)O1 66252676 GDNNVKQPIDVBCO-UHFFFAOYSA-N 332.399 5.954 0 1 EKAF CCOC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 70457437 LVOCSKOFMXWOOV-HZFQQVEYSA-N 348.527 5.137 0 1 EKAF biogenic,in-vitro CC(C)c1nccn1Cc1coc(-c2ccc(Cl)cc2Cl)n1 72185598 IGQWLMFYNLAAFG-UHFFFAOYSA-N 336.222 5.017 0 1 EKAF Cc1ccc(-c2cc(NCc3cccc4ccccc34)ncn2)cc1 82161224 ZJVIDCKSKJFACF-UHFFFAOYSA-N 325.415 5.217 0 1 EKAF FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1Cc1ccccc1 84602866 BVIZPUHJNAGZAS-UHFFFAOYSA-N 336.744 5.340 0 1 EKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccco3)c2)c1 95554604 RPKGNTBARWDYQB-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Cc1ccc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1 586963488 KFRPHNOGVSLKBZ-UHFFFAOYSA-N 337.275 5.779 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(C)cc(C)c4[nH]3)cs2)cc1 587015398 CFUQGLJTIYYYNZ-UHFFFAOYSA-N 333.460 5.533 0 1 EKAF COc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049003 KFJXTNUOQSHOIV-QWRGUYRKSA-N 333.218 5.149 0 1 EKAF CC(C)(C)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073768 MKCUJNKPYAPDPV-UHFFFAOYSA-N 338.882 5.788 0 1 EKAF Cc1ccc2c3c(cc(C[C@H](C)CC(C)C)nc13)-c1ccccc1C2=O 587099912 XLWGEVWHUGMDBT-OAHLLOKOSA-N 343.470 5.979 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3F)nc3cccc1c23 587102602 BKIAGHAOFRISIW-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587151931 WWLOGJUKNWZDLG-ZETCQYMHSA-N 343.160 5.288 0 1 EKAF CCCCCCc1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587206900 PEVJIKFIQJLLPB-UHFFFAOYSA-N 329.443 5.877 0 1 EKAF C[C@H]1c2nc3cccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O 587207890 OJACMPTXLAKRQF-JLTOFOAXSA-N 347.417 5.695 0 1 EKAF O=C(c1cc(F)c(Cl)cc1F)c1coc2ccc(Cl)cc12 587279228 ZDZQSFUZMLDYCS-UHFFFAOYSA-N 327.113 5.249 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)cc1F)O2 587384225 BWTANOFWAZWXTE-NRFANRHFSA-N 347.389 5.090 0 1 EKAF CCCCCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587405503 LSOJUISAFDCMCV-JOCHJYFZSA-N 337.463 5.191 0 1 EKAF CCC[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C 587954738 BWHREDIKQCDUGI-HNNXBMFYSA-N 349.503 6.379 0 1 EKAF Cc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587954752 CCWVIRRHMFKPBN-GOSISDBHSA-N 330.406 5.385 0 1 EKAF Cc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1 653774497 GUMVOWKJJPKRPD-MDZDMXLPSA-N 338.447 5.435 0 1 EKAF COc1ccc(Nc2nc(C)nc3sc(C)c(C)c23)cc1Cl 753794 JJCGYUSUOGDJEE-UHFFFAOYSA-N 333.844 5.022 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CO)c1 28822158 VIUVURBDFPEWAT-UHFFFAOYSA-N 338.535 6.711 0 1 EKAF CCc1cc(O)ccc1[C@H](CC)[C@@H](CC)c1ccc(O)cc1CC 40466130 NGRQTZPPDYHJSO-WOJBJXKFSA-N 326.480 5.910 0 1 EKAF Fc1cccc(F)c1-c1nc2ccccn2c1NC1CCCCC1 72177665 FRJYHAJBUVTLGB-UHFFFAOYSA-N 327.378 5.024 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 84688018 CFZDQYWRTXZXFE-SFHVURJKSA-N 338.491 6.026 0 1 EKAF COc1ccc(-c2cc3ccc(OCc4ccccc4)cc3o2)cc1 84712371 SYGHBXSMINOSQJ-UHFFFAOYSA-N 330.383 5.687 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3 85945722 SCQKOFCBSCEEQG-QQMNAOGKSA-N 331.459 5.886 0 1 EKAF endogenous,in-man Cc1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586883740 LCTYGADNAPNQPU-RSLFNQERSA-N 345.284 5.102 0 1 EKAF Oc1ccccc1C1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 586896997 OTCWBANIWPQCCT-UHFFFAOYSA-N 342.398 5.141 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C)c(Cl)cc2[nH]1 587061765 JVIQIZRGZLBMEZ-OAHLLOKOSA-N 335.234 5.708 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587163861 MDPLVBZUDSJUQM-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF Cc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1C 587206378 LSPYUOQWVQSAHL-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF O=C1C[C@]2(CCC[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587528179 YUPLYFABKCYAQI-OFNKIYASSA-N 332.443 5.237 0 1 EKAF Fc1cc2c(-c3ccccc3)c(-c3ccccc3F)[nH]c2cc1Cl 587629329 KSVQNEHKXGXGRN-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(F)c(F)c3)c2c1 587640872 FQGHBJRMOPAJTQ-LLVKDONJSA-N 342.389 5.520 0 1 EKAF CC(C)CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811740 HASIXDXTKOHSTN-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF CC/C(=C\c1nc2cccc(Br)c2[nH]1)c1ccc(C)cc1 587967581 OTFTXGRSGVNJDH-ACCUITESSA-N 341.252 5.584 0 1 EKAF Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1 653813434 VZOKZOMTCAPLMG-UHFFFAOYSA-N 327.899 5.227 0 1 EKAF CC[C@@H]1CCC[C@H]([C@H]2c3ccsc3CCN2Cc2cccn2C)C1 962373390 LPZSJNGBVHMPNT-WWMYMODYSA-N 342.552 5.402 0 1 EKAF c1coc(CN2CCc3sccc3[C@H]2c2ccc(C3CCC3)cc2)c1 962719161 XMGPHWSFODFSHX-JOCHJYFZSA-N 349.499 5.756 0 1 EKAF CO[C@@H](C=C(C)CCCc1ccoc1)CC(C)=CCCc1ccoc1 2356590007 ASJBULIYJCSZNV-JOCHJYFZSA-N 342.479 6.126 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCC 13797938 MFNPOXBAFADXSN-GKFVBPDJSA-N 347.543 6.488 0 1 EKAF CC[C@H](C)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(O)cc1)[C@H](C)CC 29406206 XFKQQYMPYXGQEK-NLZGTENKSA-N 326.480 6.057 0 1 EKAF CC1(C)[C@H]2CC[C@@H](CNCc3ccc(-c4ccccc4)s3)[C@@H]1C2 72103164 SLILKKAKBTYAJJ-LNLFQRSKSA-N 325.521 5.577 0 1 EKAF Clc1cccc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)c1Cl 587053642 HSSLVIVLZMOWCM-LUAWRHEFSA-N 343.257 5.919 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C(C)(C)CCC4)-c1ccccc1C2=O 587100648 NIGFEGFYPHBUTL-UHFFFAOYSA-N 327.427 5.369 0 1 EKAF Cc1ccc2c3c(cc(-c4ccsc4)nc13)-c1ccccc1C2=O 587102068 ORHZPXSYIJNJBG-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587151658 ULXDRNOGNVUHTM-SSDOTTSWSA-N 343.160 5.288 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)c(Cl)c1)CC2=O 587459028 BBZXEVBOHRLSCK-GOSISDBHSA-N 330.811 5.013 0 1 EKAF Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1 587630768 CJTSEZLUFNDOGB-UHFFFAOYSA-N 336.797 5.877 0 1 EKAF CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2cc(F)ccc12 587632250 HWOORBSEQKIBGH-UHFFFAOYSA-N 346.243 5.997 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](C)NC(=O)OC(C)(C)C)c2c1 587643812 XNDWNVUIKYKKMA-GXTWGEPZSA-N 330.472 5.576 0 1 EKAF Fc1ccc2sc3c(c2c1)CCN(Cc1cncc2ccccc12)C3 1772605432 DXTANTBLYQDQCL-UHFFFAOYSA-N 348.446 5.147 0 1 EKAF COc1cc(O)c(C)c(CCCCCCCCCCCCC(C)C)c1 2356341298 LBARNKZRWLNELK-UHFFFAOYSA-N 348.571 7.199 0 1 EKAF C[C@]1(c2ccccc2)OC(=O)[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]21 4005703 MULDAFDMOJEJEP-UKPGDCENSA-N 336.475 5.382 0 1 EKAF C[C@H](C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 13493471 HCFXLIDWFGBUOO-SFHVURJKSA-N 332.491 5.071 0 1 EKAF CC(C)C/N=C1\CC(C)(C)CC(O)=C1C(=S)Nc1ccccc1 13523375 MEJSPQAVJKYMRE-HMMYKYKNSA-N 330.497 5.155 0 1 EKAF Fc1ccc(-c2ccc3[nH]c(=S)n(C4CCCC4)c3c2)cc1Cl 28868988 FIWISAQRLDBRMJ-UHFFFAOYSA-N 346.858 6.273 0 1 EKAF Cc1cccc(OC(=O)C2=C(c3ccc(Cl)c(Cl)c3)CCC2)c1 28957321 DPGZNUSUOPLFNV-UHFFFAOYSA-N 347.241 5.845 0 1 EKAF CC(C)c1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1 29564530 FHTRODXTHPNDGP-UHFFFAOYSA-N 348.233 5.275 0 1 EKAF CC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 33841689 NHYSRKKHKHCRGR-RFRQLJORSA-N 332.528 6.695 0 1 EKAF COc1cc2c3cc1OC/C(C)=C/CC/C(C)=C/CC[C@](C)(C=C3)O2 34721829 WLSWTLDTEJZURW-PSMGVCQDSA-N 340.463 5.705 0 1 EKAF Clc1ccc(-c2cc(-c3ccsc3)nc(-c3cccs3)c2)o1 45323200 GNOJIHQYTISOSY-UHFFFAOYSA-N 343.860 6.452 0 1 EKAF Oc1ccc(Nc2ccnc3ccc(-c4ccc(Cl)cc4)cc23)cc1 58502027 CUBGQJGBOQTQER-UHFFFAOYSA-N 346.817 6.004 0 1 EKAF Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 66100584 DMEBSJDKEXDYPF-UHFFFAOYSA-N 327.383 5.167 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc(Cl)cc1 96922666 VOXVAMKRKWNIEZ-JKBKZWBZSA-N 338.834 5.040 0 1 EKAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587066582 NUJUVVMOCMNQCM-UHFFFAOYSA-N 344.695 5.050 0 1 EKAF Cc1ccc2c3c(cc(CCC4CCCC4)nc13)-c1ccccc1C2=O 587099605 OOEZWBODBKNXJI-UHFFFAOYSA-N 341.454 5.877 0 1 EKAF Cc1ccc(O[C@H](C)C(=O)c2coc3ccc(Cl)cc23)c(C)c1 587276170 MBZYZDJEBJZKMR-CYBMUJFWSA-N 328.795 5.353 0 1 EKAF COc1ccc2oc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587533257 PCBXMUDMACOCGL-OAQYLSRUSA-N 348.398 5.027 0 1 EKAF O=C1C[C@H](c2cccc(-c3ccco3)c2)Oc2c1ccc1c2CCCC1 587534586 WKJUEJRNKORFSR-JOCHJYFZSA-N 344.410 5.532 0 1 EKAF CSc1ccc(-c2csc(C(C)(C)c3ccccc3)n2)cc1 587924510 AXEKZFJDITUTCA-UHFFFAOYSA-N 325.502 5.858 0 1 EKAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(-c3ccccc3)cc1)NCC2 962377740 SGKASXXYTQYKOX-HSZRJFAPSA-N 331.434 5.210 0 1 EKAF O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2[C@@H]2CCCCN12 72122031 FGNCSVAQPOYSKF-INIZCTEOSA-N 331.337 5.053 0 3 EKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1 10226 SAVMGTBAEUTHDE-UHFFFAOYSA-N 340.430 5.450 0 1 EKAF CN(C)c1nc(Cl)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1 1650421 FIJYMEBCCPHXOU-UHFFFAOYSA-N 349.821 5.276 0 1 EKAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCC1CCCCC1 13600227 DSZMSGNMBKTZOU-DEOSSOPVSA-N 346.518 5.980 0 1 EKAF Cc1c2c(cc3c(C(F)(F)F)cc(F)nc13)[C@@H](C)CC(C)(C)N2 27415905 UELQYAHFAKRYJN-QMMMGPOBSA-N 326.337 5.399 0 1 EKAF Nc1ncc(-c2ccsc2)c2ccc(-c3ccc4cn[nH]c4c3)cc12 45238492 VHKIACCHHHMMQM-UHFFFAOYSA-N 342.427 5.089 0 1 EKAF Clc1cccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)c1 72115070 HWWHKICIRJKDOX-FQEVSTJZSA-N 349.865 5.139 0 1 EKAF CCC12C[C@H]3CC(NCc4ccccc4)(C[C@H](C1)c1ccccc13)O2 101927197 GFSPDHKTADFBNS-NAMINWQUSA-N 333.475 5.107 0 1 EKAF C1=C\CCCN(CCc2nccc3c2[nH]c2ccccc23)CCCCC/1 238786682 QPNAHRWWTIPNEH-IWQZZHSRSA-N 347.506 5.471 0 1 EKAF Fc1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880710 PUMLWRFGYKCGFL-UHFFFAOYSA-N 345.215 5.399 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(F)c2[nH]1 587073703 KEQWRQNFDJWIOO-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF CC/C=C\CCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587486995 YEMNFQRHQHYEQE-KJPDOMRESA-N 330.468 5.595 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c(C)c1 587626095 CXKBJCTWSLEDQD-UHFFFAOYSA-N 326.827 5.307 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587642012 LHVGGPXEDCADGX-NSHDSACASA-N 345.364 5.989 0 1 EKAF CCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1F 587920053 CAZTWYCXWRQTBJ-UHFFFAOYSA-N 333.815 5.668 0 1 EKAF COCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923280 ZHOOXMSTPBURCP-UHFFFAOYSA-N 338.407 5.244 0 1 EKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587967411 OKLAGOYVYQGTOX-QXFUBDJGSA-N 346.274 5.280 0 1 EKAF CC[C@H](c1ccc(C)cc1)[C@]1(CC)N[C@H]2CC[C@H]2c2ccc(OC)cc21 962999551 YORUPXGPGYPZPY-DVKRWUGUSA-N 349.518 5.652 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)c(-c5ccccc5)c4CC[C@H]3[C@@H]1CCC2=O 1772635882 DZOYDPUMOBYIMX-OMANQYLTSA-N 346.470 5.484 0 1 EKAF CC1=C2C[C@@]3(CN4CC4)CC[C@H](C4CCCCC4)[C@@]2(CC1)C3(C)C 2356354473 KELPXURMLUGWLS-UEVCKROQSA-N 327.556 5.805 0 1 EKAF CC1=C2C[C@@]3([C@@H]4C=C[C@@H]5CCC[C@]56C[N@@]46)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356366126 AODNXKJFRNSFJW-AIAWQLDCSA-N 337.551 5.722 0 1 EKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@H]1n3c(cc4ccccc43)C[C@@]12C 2356460277 OZJHCMYAXLCFKU-NNLJWKLDSA-N 335.491 5.550 0 1 EKAF COc1cc2c3cc1OCC(C)=CCCC(C)=CCC[C@@](C)(C=C3)O2 2356642823 WLSWTLDTEJZURW-QFIPXVFZSA-N 340.463 5.705 0 1 EKAF Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccsc2n1 13386 WYCSVRZGHFEOOU-UHFFFAOYSA-N 346.459 5.795 0 1 EKAF CCC(=CCN1Cc2c(Cl)ccc3[nH]c(=S)n(c23)C[C@H]1C)CC 15550 PJGGXOOMJFDSQO-GFCCVEGCSA-N 349.931 5.303 0 1 EKAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2occc2c1 13761421 QRNBKFCYBIHITE-IBGZPJMESA-N 349.474 5.036 0 1 EKAF Cc1c(CCc2nc3ccccc3s2)cccc1OCC(C)C 27428356 QWHVKZKAOJVPJT-UHFFFAOYSA-N 325.477 5.425 0 1 EKAF CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)o1 28755718 JNCQRXHVTLQYQJ-KYUUQUQASA-N 328.452 5.942 0 1 EKAF Cc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4F)[nH]3)cc12 29465243 JJCSVWHVHRUUQU-UHFFFAOYSA-N 349.361 5.549 0 1 EKAF COC(=O)c1ccccc1/C=C1\Cc2ccc3ccccc3c2[C@H]1C 31897849 WSPBEHDWGJNAIU-SJPXOZHESA-N 328.411 5.370 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2cccs2)o1 40394884 LNGGGIGILNPUHI-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 49035509 SDDPQRKDOGENES-HYBUGGRVSA-N 347.502 5.703 0 1 EKAF Cc1ccc(C)c(-c2cc(C)c(C(=O)Nc3c(C)cccc3C)o2)c1 72183491 BGKKNACJCUASLF-UHFFFAOYSA-N 333.431 5.741 0 1 EKAF CCCCCC/C(O)=C\C/C=C\C/C=C\C=C\CCCCC(=O)O 100657146 SFPYNTAVIURSKM-SRLOJJFGSA-N 334.500 6.493 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 100834493 FMPUWHUXNOPVQS-PLACYPQZSA-N 341.882 5.071 0 1 EKAF Oc1ccc2scc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1 587032387 JCPMRWVWRBPFBU-UHFFFAOYSA-N 335.215 5.457 0 1 EKAF CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)c1coc2ccc(Cl)cc12 587275998 JEWCXXJYLGZNIG-GOSISDBHSA-N 342.822 5.743 0 1 EKAF COc1cccc(-c2cc([C@H]3CCCO3)nc3c2oc2ccccc23)c1 587367081 YIDVHGZLJPCLBK-HXUWFJFHSA-N 345.398 5.508 0 1 EKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501644 BVZXAHGLQBTJPG-IBGZPJMESA-N 326.823 5.234 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C)cc3[nH]2)cc1 587938032 RXJWZMOFFMCZHY-OAQYLSRUSA-N 328.415 5.060 0 1 EKAF C[C@@H]1CCCc2ccccc2[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963096424 DQJBFOUXKROUFS-CGYQNGNCSA-N 335.466 5.062 0 1 EKAF CC1=C2[C@H](/C=C(\C)C(=O)NCc3cccc(F)c3)CC[C@@H](C)[C@H]2CC1 1772592288 FNRQKKGAOVAEOI-ABUSLMHJSA-N 341.470 5.161 0 1 EKAF CCCCCC=CCC=CCC[C@H](CCCCC(=O)O)OC(C)=O 2356442121 OUMFXFXCXJCNNV-LJQANCHMSA-N 338.488 5.426 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)COc1cc(C(F)(F)F)ccc1-3 13490447 DRJGFDIOQNMFDF-UHFFFAOYSA-N 345.364 5.872 0 1 EKAF CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1 13745597 XBYWXUUTLMJGRO-UHFFFAOYSA-N 330.516 5.435 0 1 EKAF CC1(C)[C@H]2CC[C@@]3(C)Oc4ccc5c([nH]c6ccc(C=O)cc65)c4[C@@H]1[C@@H]23 14611197 HRQRFLWDLQJEKQ-TUZUBFTQSA-N 345.442 5.434 0 1 EKAF Cc1cc(-c2c(C3=CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1 29126235 UUEUJSGSFIBGEZ-UHFFFAOYSA-N 340.810 5.102 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1CO 29335649 XLXUDCXVPRULHG-UHFFFAOYSA-N 343.401 5.509 0 1 EKAF CC(C)c1ccc([C@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 43025231 BYXYVCMRTACHGF-GOSISDBHSA-N 327.880 6.334 0 1 EKAF CC1CCC(Nc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)CC1 82162347 HCQJECJNJWNLPK-UHFFFAOYSA-N 335.373 5.153 0 1 EKAF NC1(c2ccc(-c3c(-c4ccccc4)ccn4ccnc34)cc2)CCC1 84705474 XJHBNEIYDGMVER-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF CCCC[C@H](CC)CNc1ccc2c(Cl)c(OC)oc(=O)c2c1 95585977 ZQDZTUAZDXROPL-LBPRGKRZSA-N 337.847 5.083 0 1 EKAF Cc1ccccc1Cc1c(NC2CCCCC2)c2ccccc2oc1=O 101410783 RZVHLJZCPXFWSL-UHFFFAOYSA-N 347.458 5.437 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@@H]1CC[C@@](C)(O)C[C@@H]21 238752766 XGSIRVCZJNNOBQ-SEPYTNNBSA-N 349.474 5.435 0 1 EKAF CSc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 299824687 WNFXOSKAAGUVMC-UHFFFAOYSA-N 332.881 5.929 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)o1)(C(C)(C)C)CC2=O 587475947 BGDPSGLCZBVERN-OAQYLSRUSA-N 342.435 5.153 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)(C)C)o1)CC2=O 587485426 VQBXMDYUAVYLRM-OAQYLSRUSA-N 342.435 5.116 0 1 EKAF O=C1C[C@H](c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587509720 WJMKYYFJAXLSGP-GOSISDBHSA-N 347.241 5.579 0 1 EKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587628038 FSZDSFCWQAKNMM-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cc2ccccc2o1 1772574264 XGQCJGMHLVMBGO-SNAWJCMRSA-N 345.364 5.597 0 1 EKAF CC=CCCCCCCCCC=CC=Cc1cc(OC)cc(=O)o1 2356447770 DNFXGOXBILBXTD-UHFFFAOYSA-N 330.468 5.915 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2OC 13302657 KEQVPNIOSICVBG-GSHUGGBRSA-N 346.511 5.699 0 1 EKAF biogenic Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C 13376907 CUSONBTUCOAEMV-LONFEIEESA-N 331.459 5.930 0 1 EKAF endogenous,in-man CC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1 13672562 BRRLRVSLZIYEQP-UHFFFAOYSA-N 340.438 5.903 0 1 EKAF O=C(O)CCCCCCc1ccc(Cc2ccc(Cl)cc2)cc1 13726554 ZMXAUBGVZRHYMV-UHFFFAOYSA-N 330.855 5.508 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/[C@H](O)CCC(=O)O 27643170 IFRKCNPQVIJFAQ-HLJDRFFESA-N 344.495 5.520 0 1 EKAF in-man Cc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc21 40424303 LLHUMXQCBQCMPT-INIZCTEOSA-N 342.446 5.210 0 1 EKAF Cc1c2c(c3cc(Cc4cccs4)oc3c1C)CCC(C)(C)O2 42920510 WJKQTZVFSXDDDU-UHFFFAOYSA-N 326.461 5.806 0 1 EKAF C[C@H]1C[C@@H](NCc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 72183892 TZPLRLKMTNURFL-NWDGAFQWSA-N 338.904 5.361 0 1 EKAF O=c1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)oc2ccccc12 96937341 LKTGUYKHNKELNW-UHFFFAOYSA-N 332.786 5.780 0 1 EKAF CCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938367 WGERETUYZPYUKK-UHFFFAOYSA-N 334.463 5.221 0 1 EKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ncc[nH]1 103244912 ZQJUNMKUHZNGTJ-SFHVURJKSA-N 336.826 5.054 0 1 EKAF O=C(Nc1ccc(F)cc1)Nc1nc2c(ccc3ccccc32)s1 103293618 NLUUBWAFJHHICY-UHFFFAOYSA-N 337.379 5.233 0 1 EKAF c1ccc(-c2cc(-c3cccs3)nc3c2Cc2ccccc2-3)cc1 299825023 UTMTVXKDPZMJML-UHFFFAOYSA-N 325.436 6.048 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587153120 WCTAXKPTRVGSFS-UWVGGRQHSA-N 338.279 5.131 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1CC3 587208041 QLQFWJBDBVKORW-UHFFFAOYSA-N 333.390 5.212 0 1 EKAF O=C(c1ccc(OC(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587278693 RRIIYNXTVAWCOA-UHFFFAOYSA-N 340.684 5.216 0 1 EKAF CC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356721 RGLCCWZTQNXDOH-NQIIRXRSSA-N 342.410 5.085 0 1 EKAF COc1cccc(-c2cc([C@H]3OC3(C)C)nc3c2oc2ccccc23)c1 587367673 YMKJWCFBHXJUMQ-OAQYLSRUSA-N 345.398 5.507 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C(C)(C)C)O2 587375907 APWPJPOYTGHAPN-FQEVSTJZSA-N 343.854 5.137 0 1 EKAF CCCCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527377 UOWAEFRLROUMRH-JOCHJYFZSA-N 334.459 5.615 0 1 EKAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624302 KGQRYQAIDMQGPQ-UHFFFAOYSA-N 349.764 5.307 0 1 EKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2cccc(F)c12 587634317 GAGPCOKUICWLQJ-UHFFFAOYSA-N 336.179 5.438 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1C 587920355 IKEXHBHZXXXJRO-UHFFFAOYSA-N 341.479 6.761 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 587960798 BZJUMGGDAXROBF-UHFFFAOYSA-N 346.474 5.553 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC3(CCCCC3)CC2)N1 962955662 XUSKGSXGCJCMHC-QGZVFWFLSA-N 336.523 5.812 0 1 EKAF CCN(CCCCc1ccccc1)[C@H]1CCc2ccsc2CC1 1911580473 OYGHKCXDQJIARA-FQEVSTJZSA-N 327.537 5.340 0 1 EKAF Cc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cc1 95570820 IDTQOIIHVITMSE-UHFFFAOYSA-N 348.449 6.054 0 3 EKAF Cc1cccc(C)c1SC(=O)NC(=O)Sc1c(C)cccc1C 13738039 WISCQHRZQZLZNG-UHFFFAOYSA-N 345.489 5.634 0 1 EKAF CN(C)CCCCOc1ccccc1/C=C/c1cccc(Cl)c1 27712575 GGNHHDHAKCAFLR-OUKQBFOZSA-N 329.871 5.231 0 1 EKAF CC(C)(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40406872 GSWQELSBISKQCA-UHFFFAOYSA-N 345.442 5.908 0 1 EKAF Oc1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40973680 LNNZPBINNIGZDG-NRFANRHFSA-N 347.439 5.456 0 1 EKAF CC(C)c1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)nc23)cc1 74386304 BZZPAYWJVRASBW-UHFFFAOYSA-N 346.409 5.631 0 1 EKAF C[C@H]1C[C@@H](Nc2cncc(Oc3cccc(F)c3)n2)CC(C)(C)C1 82068839 JNBHMNYGLYZNGW-DZGCQCFKSA-N 329.419 5.035 0 1 EKAF CCCCC[C@H](C)CCCCCCCCCCCC[C@H](O)CO 102186321 CWVKRPMEOLUEOW-SFTDATJTSA-N 328.581 6.237 0 1 EKAF Cc1c(CO)cccc1-c1ccc2nc(-c3ccc(Cl)cc3)cn2c1 117925821 VZLRCZDREWSVNK-UHFFFAOYSA-N 348.833 5.122 0 1 EKAF Cc1cccc2sc(C3=NCCc4c(F)cccc43)c(Cl)c12 144713067 HYMAQKBDPIIBKM-UHFFFAOYSA-N 329.827 5.396 0 1 EKAF COc1ccc2c(c1)[C@H](c1sc3cccc(C)c3c1Cl)NCC2 204928378 QAHGUCBMXVNVBW-GOSISDBHSA-N 343.879 5.107 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586886489 QAYOUIQZQOZUIQ-KDOFPFPSSA-N 346.327 5.092 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1cc(O)ccc1C4)-c1ccccc1C2=O 587102279 UTZDVGCQNGLFHU-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF Cc1c(Cl)ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587162961 DUAHFCKDQSGDQX-UHFFFAOYSA-N 342.826 6.059 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)c1 587235004 KNRNFPAOVVRMEU-UHFFFAOYSA-N 331.394 5.386 0 1 EKAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2c(C)cc(Cl)cc12 587623454 HPCGVAOAZNOURB-UHFFFAOYSA-N 334.202 5.237 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccco3)c(C(=O)c3ccccn3)c2c1 587644155 OKRPYYCSBDODFL-AWEZNQCLSA-N 344.414 5.567 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C)N1 587810413 CMPVLDYYPNJRMP-DIFFPNOSSA-N 342.296 5.164 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cc(Cl)ccc12 963240729 LJYOVHWUBCDXKT-LHSJRXKWSA-N 338.882 5.567 0 1 EKAF COc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2o1 1772580767 CECSTOQTHLNIFZ-CQSZACIVSA-N 345.402 5.072 0 1 EKAF CN(C/C=C/c1ccc(C(F)F)cc1)Cc1coc2ccccc12 1772592972 PNWCMGQNWRPJKX-SNAWJCMRSA-N 327.374 5.516 0 1 EKAF Cc1cc(C)c2sc(NC(=O)[C@H]3C[C@H](C)CC(C)(C)C3)nc2c1 1857771813 XGDFSTRJWJEPKI-JSGCOSHPSA-N 330.497 5.314 0 1 EKAF CC1=C[C@@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CCC(C)=CCC1 2356410346 IZTPZZVRYDCHRL-LEWJYISDSA-N 342.479 5.656 0 1 EKAF CCCCC[C@@H](O)C=CCCCCCCCc1cc(O)cc(O)c1 2356561685 JAIDXIXLHIPVKV-LJQANCHMSA-N 334.500 5.478 0 1 EKAF CC(=CC=C[C@H](C)C(=O)O)C1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356804728 ZKLBXGLVQXCIRO-SPEDKVCISA-N 330.512 6.153 0 1 EKAF COC(=O)[C@H](C)C=CC=C(C)C1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356805750 ZWNCGUAPZPVWIM-MSYCTHLASA-N 344.539 6.241 0 1 EKAF CCCCCC[C@@H](C)CCCCCCCCCOC[C@@H](O)CO 15261817 MUFIFXIVKHSXDD-UXHICEINSA-N 330.553 5.084 0 1 EKAF biogenic CC(C)(C)[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 34433771 ZACDYWASKXZPGH-WSNCLUHLSA-N 346.555 5.375 0 1 EKAF COc1ccc(CCOc2c3ccccc3cc3sccc23)cc1 35080147 YBJLBVQNSASJMJ-UHFFFAOYSA-N 334.440 5.685 0 1 EKAF Nc1scc(-c2ccc3ccccc3c2)c1C(=O)c1ccccc1 43017377 MDUZXAHAJTUSQG-UHFFFAOYSA-N 329.424 5.382 0 1 EKAF C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cccc2ccccc12 96930060 KDQZVKMGGXHOSY-GOSISDBHSA-N 331.503 6.330 0 1 EKAF CO[C@@H]1C2=C(CC[C@H]1C(C)C)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 238774459 NAFHEAGJURRYHU-LJBHTKMOSA-N 334.500 5.055 0 1 EKAF CC(=O)O[C@H]1C=C(C)CCC=C(C)CC[C@@H](C(C)C)C=C[C@@](C)(O)C1 299808882 BKJINAIBPPZCQQ-BHIFYINESA-N 348.527 5.354 0 1 EKAF Cc1cccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299840679 YMKIEQRAGKLOPM-SFHVURJKSA-N 336.262 5.031 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c(CSCc3ccsc3)nc2c1 587026901 NGNFAQBVZBCQRX-UHFFFAOYSA-N 346.374 5.216 0 1 EKAF Cc1cnc(Cl)c2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc12 587097248 HOWSIHGNKUGTLT-VIFPVBQESA-N 339.748 5.090 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2C[C@@H]2C3)c1 587365314 GQUUBBDJTUMLRJ-CZUORRHYSA-N 327.383 5.316 0 1 EKAF O=C1C[C@H](c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587523385 IHJKJYHEBPIIKW-JOCHJYFZSA-N 328.411 5.425 0 1 EKAF Cc1sc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536062 QQVKLUQKWXTITJ-LJQANCHMSA-N 348.467 5.795 0 1 EKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2)cc1 587630557 LAEZMBBSMSIQSA-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC(C)Cc1[nH]c2cccc(F)c2c1-c1ccc(Cl)cc1Cl 587632935 OHIJAIYRVIMYIW-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 587930965 IXQMLOATJMLALI-UHFFFAOYSA-N 342.398 5.108 0 1 EKAF CCCCCc1ccc([C@]2(C)NCCc3c2sc(C)c3C)cc1 963031158 SXCWXZCIMJZXSC-NRFANRHFSA-N 327.537 5.507 0 1 EKAF Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(C)C 27435531 RGQLQQIHOLKQLR-UHFFFAOYSA-N 342.533 5.912 0 1 EKAF Cc1c(C(=O)C2CCCCC2)oc2cc(-c3ccccc3)cc(O)c12 27520884 YZJPQNDBGLWXGF-UHFFFAOYSA-N 334.415 5.877 0 1 EKAF CCCCC/C=C\C/C=C\C(C)(C)/C=C\C/C=C\CCCC(=O)O 33954600 HUYLBZXQCLRYHC-CSUDKNDISA-N 332.528 6.853 0 1 EKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45367672 IPAMIWZVGZQITB-HOTGVXAUSA-N 338.904 5.345 0 1 EKAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100930873 QUFRNANIXKUCID-SFDRBOEBSA-N 348.527 5.347 0 1 EKAF O=C(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1 169312339 XQPOUGAVSXWEIL-UHFFFAOYSA-N 327.358 5.272 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@@H]2[C@@H]([C@H](C)CCC=C(C)C)CC/C(C)=C\CC[C@@H]12 169370897 SOAIWELMVRCOAD-KVFYKQRSSA-N 346.511 5.252 0 1 EKAF CN(C)c1ccc([C@H](C[C@H](N=O)c2ccncc2)c2ccccc2)cc1 169730251 GAOIASSLHDSFLE-YADHBBJMSA-N 345.446 5.177 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586882278 ZDROEXDHZDUQPL-UHFFFAOYSA-N 333.262 6.224 0 1 EKAF Clc1ccc(C2(c3nc4cc5ccccc5cc4[nH]3)CCC2)cc1 587073853 MMQSEHRDLSBHCL-UHFFFAOYSA-N 332.834 5.840 0 1 EKAF CCCCCc1c(CCC)nc2cccc3c2c1-c1ccccc1C3=O 587207764 UWWGNESJIROASA-UHFFFAOYSA-N 343.470 6.131 0 1 EKAF COc1cccc(-c2cc([C@@H](C)OC)nc3c2oc2ccccc23)c1 587363260 QOEXWHJKHKGXIR-CYBMUJFWSA-N 333.387 5.364 0 1 EKAF COc1c(F)cc(-c2[nH]c3ccc(F)c(Cl)c3c2C)cc1F 587629477 RPJBBRNOGNEZFP-UHFFFAOYSA-N 325.717 5.223 0 1 EKAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(Cc3ccccc3)cc1)NCC2 962092461 NCQCZDUFVPHREZ-XMMPIXPASA-N 345.461 5.134 0 1 EKAF Cc1nc(-c2ccccc2)oc1-c1csc(-c2ccc(F)cc2)n1 1772598883 LSPIAADJWSFDLB-UHFFFAOYSA-N 336.391 5.580 0 1 EKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 2356364689 ZVGQOQHAMHMMNE-XZNYGTFNSA-N 330.512 5.169 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 14883699 FCFUSYHGZLEMJM-WUDLNNLVSA-N 346.511 5.123 0 1 EKAF endogenous,in-man CCCn1c2ccccc2c2nnc(N)c(-c3ccc(C(C)C)cc3)c21 27092877 KXPLPKSKQWIKPS-UHFFFAOYSA-N 344.462 5.367 0 1 EKAF CC[C@H](c1cc(O)cc(Cl)c1)[C@@H](CC)c1cc(O)cc(Cl)c1 27653944 JUWIMOWOTINEJK-HDICACEKSA-N 339.262 6.092 0 1 EKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043579 ZAINQQRFGATLID-ZDUSSCGKSA-N 338.882 6.494 0 1 EKAF Cc1c2c(c3cc(CCc4cccnc4)oc3c1C)CCC(C)(C)O2 43075895 LQMLGPSTBLCXSK-UHFFFAOYSA-N 335.447 5.333 0 1 EKAF CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)no1 72114866 YCMKHVBGZOIYLM-UHFFFAOYSA-N 342.483 5.093 0 1 EKAF CCCC/C=C\CCCCCCCC/C=C/CCC(=O)C(F)(F)F 103173877 ZGZRIICZPCUMBS-IYUNJCAYSA-N 346.477 7.321 0 1 EKAF CCCCC[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCCC=C12 253710711 XMTVISLAECGBLA-AJLPJJNLSA-N 342.567 6.715 0 1 EKAF CC[C@@]12CC[C@@H](C1)c1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990651 MZHFLJDMSQGDJR-DAOPMYJZSA-N 341.410 5.081 0 1 EKAF Cc1cc(C)c2[nH]c(CCCOc3ccc(Cl)cc3C)nc2c1 587066132 JRELMGKHNVTUEA-UHFFFAOYSA-N 328.843 5.153 0 1 EKAF CC[C@@H](C)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587102302 ZZHKWRWBWZZHOZ-UKRRQHHQSA-N 341.454 5.516 0 1 EKAF Cc1cncc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124047 HYUPUMZLUWTXOG-QPJJXVBHSA-N 335.354 5.049 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)c1 587234891 JPNLZDIIYQMGSZ-UHFFFAOYSA-N 347.849 5.900 0 1 EKAF CC[C@]1(c2ccc(C)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531014 IDAPKMRTTWGXEY-HXUWFJFHSA-N 326.461 5.206 0 1 EKAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(Cl)cc1 587638424 KWHYWUCVRKZJBK-UHFFFAOYSA-N 341.838 5.408 0 1 EKAF Fc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1F 587951324 YMARXCMXWBPXOY-ZHACJKMWSA-N 348.352 5.804 0 1 EKAF Clc1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956473 RNNUMQOPDLDOHV-QGZVFWFLSA-N 332.834 5.591 0 1 EKAF CC=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356311180 SKSOMRHTXHIGIB-CDXCJDFSSA-N 342.523 5.827 0 1 EKAF CCC[C@]1(C)[C@H](C)CC=C2[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]21C 2356400697 HFWWPLGQXNNDTF-JWDKOIGTSA-N 332.572 6.364 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356553128 OSIWGYVBAGGXDY-URVUXULASA-N 348.527 5.047 0 1 EKAF Cc1cccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)c1 5931231 VZKKIOBIDORTTC-UHFFFAOYSA-N 325.626 5.353 0 1 EKAF Cc1cccc([C@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)c1 13814294 CJVYKLQZFNSTAU-QNWVGRARSA-N 331.459 5.051 0 1 EKAF Oc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 73200224 VXOMJGYRSSCPKA-UHFFFAOYSA-N 325.371 5.084 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 100579665 OCAXFDULERPAJM-SFHLNBCPSA-N 341.882 5.071 0 1 EKAF CC(C)c1cc([C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)on1 100985562 VORLYPMDEILSSB-QQTQMKHKSA-N 344.886 5.185 0 1 EKAF CC(=O)O[C@H]1CC(C)=CCC[C@@H](C)C=C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 254018034 QPIUBKNTZMBLLI-PGPONNFDSA-N 348.527 5.044 0 1 EKAF COc1ccnc2ccc(N(C)c3c(Cl)cccc3Cl)cc12 584904787 IQXIXPLQQDFASE-UHFFFAOYSA-N 333.218 5.318 0 1 EKAF in-vitro Cc1cc(F)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074040 PGXDIAMOPPHTNH-KRWDZBQOSA-N 343.833 5.001 0 1 EKAF Cc1c(Cc2ccco2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102228 UBTWFZBIYNQXIB-UHFFFAOYSA-N 339.394 5.247 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587111778 HOGJNDGBBHGSAB-UHFFFAOYSA-N 341.336 5.414 0 1 EKAF CCc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587206911 PIOINHBZPIWIII-UHFFFAOYSA-N 335.406 5.676 0 1 EKAF Cc1c(F)ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242850 VISDCXSKCKPEEN-UHFFFAOYSA-N 333.366 5.127 0 1 EKAF CC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359151 ZPWBRANFSJCFLK-NQIIRXRSSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(C)(C)C)CC1)CC2=O 587479601 IPCADPYYYPKZQF-QRQCRPRQSA-N 344.495 5.675 0 1 EKAF CC(C)C[C@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526159 RFMQQESMELNWRT-GGAORHGYSA-N 348.486 5.729 0 1 EKAF CCc1cc(CC)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528279 ZZURKVRORCKQKD-QFIPXVFZSA-N 334.459 5.397 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1C(F)(F)F 587629766 GVCXICRCNSISOZ-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2-n2ccnc2C(C)C)cc1C 587636160 SISQZCDCTMRNHO-UHFFFAOYSA-N 347.437 5.900 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(CC(=O)OC)c(-c3ccccc3F)c2c1 587643133 RTUNEVFXFOUGHE-ZDUSSCGKSA-N 339.410 5.203 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(F)cc4[nH]3)c2)cc1 587936182 SUONYEYHSFHCQB-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@]1(CCC[C@H]1c1ccccc1)NCC2 963115960 BJHQENSJUAPKHC-LPHOPBHVSA-N 332.274 5.302 0 1 EKAF CC[C@@H]1C[C@]23OC(=O)C(=C2O)C[C@@H](C)C[C@H](C)CCC[C@]3(C)C=C1C 3802195 TWZNZLPMIFOBPA-ZJDUZLJUSA-N 346.511 5.713 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2O 13302652 HCQUMJYLWCSLLR-MRUHUIDDSA-N 332.484 5.045 0 1 EKAF biogenic,in-vitro Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 26574051 WBTZEYLGSORECL-UHFFFAOYSA-N 329.378 5.253 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 27555284 QUFRNANIXKUCID-VWFUWPSQSA-N 348.527 5.347 0 1 EKAF Cc1cc(Cl)c(Oc2ccc(Cl)cc2CC(=O)O)cc1C 28767461 FGRZMNREICFDOF-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(Nc2ccccc2)n1 28824789 JMSIJLPYNMYLMV-UHFFFAOYSA-N 329.325 5.214 0 1 EKAF COc1c(C)cnc(CC[C@@]2(C)Nc3cc(Cl)ccc3S2)c1C 29563631 NQMGUDLJJLXYEB-SFHVURJKSA-N 348.899 5.227 0 1 EKAF CC[C@@H]1[C@@]2(C)C=C(C)C=C(C)[C@H]2[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 34503972 IQPZJQHBDGXCCK-VZVVXEKASA-N 342.479 5.091 0 1 EKAF Cc1cc(NC(=O)Nc2ccc3sccc3c2)c2ccccc2n1 45319716 MZMYFGJCNUBAKE-UHFFFAOYSA-N 333.416 5.402 0 1 EKAF CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c21 96905989 LGIVATMJCZXKMJ-UHFFFAOYSA-N 329.443 6.270 0 1 EKAF CC[C@@H](C)CCC[C@](C)(CCCC(C)C)[C@@H]1C=C(C)CC[C@@H]1C(C)C 102191733 BSFSYBSOZFHRHQ-DFXJHMEVSA-N 348.659 8.664 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)CC 169353083 CCBPBZSPLSJBNV-AIBIWWTJSA-N 345.571 6.658 0 1 EKAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 254156530 QPIUBKNTZMBLLI-IJNTTYKLSA-N 348.527 5.044 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586886490 QAYOUIQZQOZUIQ-KSSFIOAISA-N 346.327 5.092 0 1 EKAF Fc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c(F)c1F 587050046 MIZOIVLRMKYPSB-UHFFFAOYSA-N 347.727 5.091 0 1 EKAF CCCC/C=C/CCCCCCCCc1cnc2cccc3c2c1CC3 587213586 KRFKVIHZASJJTC-AATRIKPKSA-N 349.562 7.353 0 1 EKAF CCCCC(CCCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442339 LHMHGIXLNCZMCM-UTKZUKDTSA-N 330.468 5.198 0 1 EKAF O=C1C[C@]2(CCc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587500604 MIXWVCRBVSZFNT-NRFANRHFSA-N 338.834 5.026 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)c1 587921920 BTNGZHBLQHVKAE-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF CC(C)(C)c1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)cn1 962661189 FIUHKULELFPDGM-HSZRJFAPSA-N 342.486 5.281 0 1 EKAF COc1ccc(CSC=CCSCc2ccc(OC)cc2)cc1 1857623579 DCJPURSQPPRYKG-UHFFFAOYSA-N 346.517 5.384 0 1 EKAF CCCC1(CCC)CCC2(CCN(CCCN3CCCCC3)C2)CC1 1535472 FPYDSYNEQOHKET-UHFFFAOYSA-N 348.619 5.715 0 1 EKAF CCCCc1cccc2c(OC)c(CC)c(CC)c(OC(C)=O)c12 5832357 NZLVZVUMXZOYJX-UHFFFAOYSA-N 328.452 5.241 0 1 EKAF c1ccc(-c2c[nH]cc2[C@H](c2cccc3ccccc23)n2ccnc2)cc1 5974751 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Cc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992097 CVTOKBWMJKAUAE-UHFFFAOYSA-N 327.305 5.082 0 1 EKAF Fc1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1Cl 587020958 DSEXMJAYAYBKRD-UHFFFAOYSA-N 343.814 5.070 0 1 EKAF CCc1c([C@H](C)CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099836 VPRPOFMAXJTVFH-CYBMUJFWSA-N 329.443 5.831 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3ccccc3cc2[nH]1 587171840 TUSYDFAKRSXNHZ-ZDUSSCGKSA-N 336.435 5.751 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)o1)(C(C)(C)C)CC2=O 587475945 BGDPSGLCZBVERN-NRFANRHFSA-N 342.435 5.153 0 1 EKAF COc1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587960000 UHIDWTRVWYFKFZ-UHFFFAOYSA-N 328.415 5.138 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@@]45C[C@@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772571665 QIZMKKCGLBWKJQ-PSHINFLMSA-N 347.502 5.009 0 1 EKAF CC(=O)O[C@@H]1CC(C)=C(CCC(C)=CCO)[C@@]2(C)CCCC(C)(C)[C@H]12 2356756372 XEOIHOKVTGDPKG-RZUBCFFCSA-N 348.527 5.190 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4CCC[C@@]5(C)C[C@]45CC[C@@H]3C2)O1 2356756873 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5.405 0 1 EKAF CN1[C@@H]2CC[C@@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 100720389 VQILFFVIWGYQHG-ZSPZSKNPSA-N 337.894 5.620 0 1 EKAF C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100844450 FUMBLBJFVJXVBV-VWMXVWASSA-N 346.518 5.364 0 1 EKAF Clc1ccccc1-c1ccc2cc(Nc3ccccn3)ncc2c1 144326741 MQVZNVRBLROWNA-UHFFFAOYSA-N 331.806 5.694 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\CN=O 169684363 JBSOEEVELDJWHD-URUINYPESA-N 329.484 5.003 0 1 EKAF CC(C)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990679 NMUFQXWOIZMGTP-CYBMUJFWSA-N 343.426 5.228 0 1 EKAF Fc1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128734 OVXSOBPCBVXEOV-UHFFFAOYSA-N 345.349 5.430 0 1 EKAF CC(C)Oc1ccc([C@@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587211580 HOFBZNOIBPEWBY-SFHVURJKSA-N 329.443 5.199 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ccccc3c1)CC2=O 587479198 CAGVZVJGELABOC-HSZRJFAPSA-N 346.426 5.379 0 1 EKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)c(C)c1 587862971 NNRZWMLMQLDDNR-UHFFFAOYSA-N 346.352 5.184 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(Cl)cc2[nH]1 587950721 CGPCVGQQDHCSJJ-MKBNYLNASA-N 336.863 5.271 0 1 EKAF CCCCCCNC(=O)Oc1cccc(-c2ccc(C)cc2F)c1 653739120 YLRAKWYISAZTMJ-UHFFFAOYSA-N 329.415 5.470 0 1 EKAF CCCCCC[C@H](OC)[C@@H](C)CCCCCCCCCC(=O)OC 2356437984 OBCWEULYYNZUFM-PMACEKPBSA-N 342.564 6.292 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C 2356553126 OSIWGYVBAGGXDY-RZUBCFFCSA-N 348.527 5.047 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@@H]3[C@@H]1[C@@H]2C3(C)C 13376905 CUSONBTUCOAEMV-ALIIGJLFSA-N 331.459 5.930 0 1 EKAF endogenous,in-man Cc1sc(N)c(C(=O)c2cc(C)c3cc(Cl)ccc3c2)c1C 13493370 XABPOVOSVLTFAK-UHFFFAOYSA-N 329.852 5.293 0 1 EKAF CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)OC 14449727 DTRIZYGHKMRYJM-RJJVSIALSA-N 332.484 5.052 0 1 EKAF CN(C)C[C@@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 26986824 IOEICCJZXSKQEL-VXPIKJJWSA-N 337.551 5.574 0 1 EKAF CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27746698 UWYQDLYLKSLKNZ-BGGMYYEUSA-N 340.507 6.597 0 1 EKAF COc1cccc(CCc2ccccc2NCc2cccc(OC)c2)c1 29134737 DRROXUBCBJIALG-UHFFFAOYSA-N 347.458 5.101 0 1 EKAF C[C@@H]1C[C@@H](C)CN(c2ccc(-c3cccc(Cl)c3Cl)cn2)C1 45254848 ACCKQVGBHUBTQL-CHWSQXEVSA-N 335.278 5.538 0 1 EKAF O=C(O)c1oc2ccccc2c1CCCc1cccc2ccccc12 95594138 FJJCJILQICJOAD-UHFFFAOYSA-N 330.383 5.460 0 1 EKAF COc1ccc2c(c1)[C@]13CCC[C@@H](C)[C@H]1[C@@H](C2)N(C=C1CCC1)CC3 101228267 GXHZDJZDYXULJN-LTFXSFKNSA-N 337.507 5.067 0 1 EKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 103232762 HCSPUUGFMREMHT-NRFANRHFSA-N 344.410 5.201 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587028375 UTQRAQPIUAHXNU-UHFFFAOYSA-N 349.246 5.297 0 1 EKAF Cc1ccc(C)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587052171 XLUAPVJNHURSSF-NWDGAFQWSA-N 331.246 5.758 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(F)c(F)cc2[nH]1 587066177 HEWITQQYDZBGES-UHFFFAOYSA-N 343.764 5.261 0 1 EKAF Cc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1C 587068611 DBTPCHTXGULOKY-GFCCVEGCSA-N 326.827 5.210 0 1 EKAF Cc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104461 VMLATXHKCHUBAJ-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(C)cc1C)CC2=O 587489443 OOEWDXCBJZQHSQ-QFIPXVFZSA-N 338.447 5.151 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(C)(C)C)s1)CC2=O 587495529 RTUSLVBBHFPTIQ-MRXNPFEDSA-N 344.476 5.410 0 1 EKAF O=C1C[C@@H](CCc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587501662 PTFUDEDXBABCNP-QGZVFWFLSA-N 340.850 5.185 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccccc3N)[nH]c12 587626913 KABYZCVNKQYRST-UHFFFAOYSA-N 332.834 6.046 0 1 EKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2cccc(F)c12 587633558 GLGSGFOBVUPYNQ-UHFFFAOYSA-N 338.813 5.716 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(CC(C)C)c(C(=O)C(F)(F)F)c2c1 587641598 NHHSIYRBEVIRJD-NSHDSACASA-N 325.374 5.625 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)cc1 587936665 XXUOXRZXUHFFRD-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Cc1c(F)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949432 GPAFPSXISRWOGP-SDNWHVSQSA-N 344.389 5.973 0 1 EKAF 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C[C@@H]1C[C@H](Nc2cc(-c3ccc(F)cc3F)ncn2)CC(C)(C)C1 82162307 BKXGVUMMWRWPTA-OCCSQVGLSA-N 331.410 5.049 0 1 EKAF COc1ccc2c3ccnc(C)c3n(CCCc3ccccc3)c2c1 90548424 QCBWWAXVPKCGNA-UHFFFAOYSA-N 330.431 5.139 0 1 EKAF Cc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1F 587010841 DRTWXDIVSGUXCT-UHFFFAOYSA-N 337.423 5.033 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(F)c(F)ccc3[nH]2)cc1 587162503 CCRJYQRQSPCKGJ-UHFFFAOYSA-N 330.334 5.376 0 1 EKAF Cc1cc(Cl)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587163834 LTEREKQEMMERBT-UHFFFAOYSA-N 342.826 6.059 0 1 EKAF FC(F)(F)c1cccc(CCc2cnc3cccc4c3c2CC4)c1 587210657 USCPHMMIEFEIMG-UHFFFAOYSA-N 327.349 5.137 0 1 EKAF CCCCCC[C@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587478270 FKRPJUFYVCYCFK-KSFYIVLOSA-N 344.495 5.819 0 1 EKAF Cc1ccc2[nH]c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587521357 BVKGMWSGOXRVEF-OAQYLSRUSA-N 345.442 5.370 0 1 EKAF C[C@]1(c2nc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535745 OABXPDDCKTYENH-OAQYLSRUSA-N 349.455 5.056 0 1 EKAF Fc1cccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)c1 587634518 INWOUDWEEONKAY-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCC2)N1 587817034 HKDVPFJXSVQOLZ-LBPRGKRZSA-N 340.280 5.062 0 1 EKAF FC(F)(F)c1ccncc1-c1nc(-c2cccc(Cl)c2)cs1 587920289 HGNLWFBYYDYFSI-UHFFFAOYSA-N 340.757 5.544 0 1 EKAF CC(C)(C)Oc1ccc(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944148 YXFGTTPXLOHFEJ-UHFFFAOYSA-N 343.373 5.305 0 1 EKAF C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)NCCc2ccc(O)cc21 963339668 AEVPXCVYAJMPRL-QFIPXVFZSA-N 349.861 5.122 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@@]1(C)CCCc2ccoc21 2356682158 NQLMQSZWWCKWNA-OAQYLSRUSA-N 326.436 5.395 0 1 EKAF C[C@@H]1CC=C[C@](C)([C@@H]2CCC[C@@H](Cc3cc(O)cc(CCO)c3)C2)C1 2356778783 DMKKXGUPBVXGNO-JHBZICRXSA-N 342.523 5.268 0 1 EKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)Cc1ccccc1 26168651 SEDWEXQZFOWMDT-VVSUKSJXSA-N 326.524 5.779 0 1 EKAF Fc1ccc(CSc2nc3ccc(F)c(F)c3s2)cc1F 103186616 IAOONDPKNNROFN-UHFFFAOYSA-N 329.343 5.145 0 1 EKAF O=C(O)C[C@H](O)CCCCCCCCCCCCCCCCCO 219961581 HWPIBZBKWABMAW-LJQANCHMSA-N 344.536 5.056 0 1 EKAF in-vitro COc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Cl 586964245 VVNDXNZOHJGGCD-NSHDSACASA-N 332.856 5.219 0 1 EKAF C[C@H]1c2ccccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992219 ZVWBSZYPZKJDLY-LBPRGKRZSA-N 349.389 5.284 0 1 EKAF C(=C\c1nc2cccc(OCc3ccccc3)c2[nH]1)\c1ccsc1 587026649 WKANFKVRFNCTMF-KTKRTIGZSA-N 332.428 5.374 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)c1 587103254 JQBQFRMDPBOVRC-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF Oc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587126325 XNRXBAQLNRURGV-RMKNXTFCSA-N 336.338 5.051 0 1 EKAF Cc1cc(F)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587194955 ADYZKPHVSGDVIG-UHFFFAOYSA-N 345.421 5.217 0 1 EKAF O=C1C[C@@H](c2cc(F)c(F)cc2Cl)Oc2c1ccc1c2CCCC1 587502325 DGUWYZCQSHYIBY-SFHVURJKSA-N 348.776 5.204 0 1 EKAF Oc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949270 DOCSDIUIBMCICF-RAXLEYEMSA-N 328.371 5.231 0 1 EKAF CCC(C)(C)[C@]1(c2ccc(F)c(Cl)c2)NCCc2c(C)ccnc21 963094466 YCYPDSIZCZCLPP-HXUWFJFHSA-N 346.877 5.008 0 1 EKAF CCC=CCC=CCC=CC=CC=CC=CCC=CCCC(=O)O 2356345355 ONCVIMINFCGUNI-UHFFFAOYSA-N 326.480 6.325 0 1 EKAF CC(C)=CCC=C(C)[C@@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 2356469890 FOCRIHXZXHBZHM-FQEVSTJZSA-N 340.463 5.500 0 1 EKAF COc1c(O)c(C(C)C)cc2c1[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13302675 HOQDFKUSWWBYGK-KKSFZXQISA-N 330.468 5.195 0 1 EKAF biogenic CC1=C(/C=C/C(C)=C/c2ccc(C(=O)O)cc2F)C(C)(C)CCC1 28755994 FYQMKTRTZFHYDH-ZZZNDOSKSA-N 328.427 6.010 0 1 EKAF CCC/C=C/C/C=C\CCCCCCCCCc1cc(O)ccc1O 34594703 ZFBPWHPPYONXTQ-HTKRNXBHSA-N 344.539 7.064 0 1 EKAF biogenic,in-vitro Cc1ccc2c(c1C)CN(C(=O)c1ccccc1)C[C@H]2c1ccccc1 40556582 YCMUPXOCXDCLCL-QHCPKHFHSA-N 341.454 5.091 0 1 EKAF CCCCc1ccc(-c2nc(CNC3CCCCCC3)co2)cc1 72186636 HGZFNFDRVPCIQU-UHFFFAOYSA-N 326.484 5.497 0 1 EKAF CCCc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)ccn1 299828327 MRSQPLTVCSQPRY-UHFFFAOYSA-N 348.393 5.843 0 1 EKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586887245 HRUFHKBEBZVDDH-MGPLVRAMSA-N 335.234 5.015 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 586899104 TUJMAOJNISLFIZ-UHFFFAOYSA-N 336.394 5.756 0 1 EKAF Clc1cnc(Cl)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587025902 PCNMKAFGSOWXER-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2C1 587033161 FWFUUUBWDZCKJH-SECBINFHSA-N 336.382 5.435 0 1 EKAF C[C@@]1(c2cc(Cl)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502361 DIXQDXCDFFWXBC-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF Cc1[nH]c2cccc(F)c2c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C 587637176 XEHMNEVWFOHHCU-INIZCTEOSA-N 346.446 5.468 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCCCC2)N1 587820018 NTWSWOQSIQFYDX-BZNIZROVSA-N 340.280 5.134 0 1 EKAF Clc1cccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)c1 587920031 AMTDDILFMQPRFT-UHFFFAOYSA-N 340.662 6.437 0 1 EKAF CC(C)(C)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962720 WKZKICPFZRCESC-UHFFFAOYSA-N 340.470 6.118 0 1 EKAF COC(=O)C1=CCC=C(C)CCC=C(C)CC[C@H](C(C)C)C(=O)C1 2356795548 MEXVGRUJOIKXSN-LJQANCHMSA-N 332.484 5.174 0 1 EKAF CCCc1cc(Cl)c2c(c1O)[C@@H](C)[C@H](Cc1ccc(OC)cc1)O2 13453170 VSLLNGYXZIKKLY-SJCJKPOMSA-N 346.854 5.114 0 1 EKAF CC(C)C[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2 13741444 VLJOZQWJEGNYAL-SFHVURJKSA-N 340.463 5.182 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O 14410901 HCQUMJYLWCSLLR-XFQAVAEZSA-N 332.484 5.045 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@@]12C[C@]1(C)CCCC2(C)C 28235814 ZQAZXAXJQNKOAF-CZISUCMTSA-N 342.523 6.161 0 1 EKAF O[C@H]1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1 34007673 MKQLRHOJRHPAHP-DQEYMECFSA-N 338.450 5.145 0 1 EKAF CO[C@@H](c1cc(C)no1)c1ccccc1/C=C/c1ccc(Cl)cc1 103183728 OVBUJNNFMICYNX-JRMCHAMMSA-N 339.822 5.543 0 1 EKAF C[C@@H](NCc1cc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 200339550 BVBYQIRTNZSZEM-QGZVFWFLSA-N 326.443 5.686 0 1 EKAF Cc1cnc(Cl)c2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc12 587097246 HOWSIHGNKUGTLT-SECBINFHSA-N 339.748 5.090 0 1 EKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC1CCCCC1 587210037 BRYBDRJEDGTTET-UHFFFAOYSA-N 347.433 5.851 0 1 EKAF COc1ccc2cc(CCc3cc4c5c(cccc5n3)CC4)ccc2c1 587214209 NXQSQYDPFVBLOQ-UHFFFAOYSA-N 339.438 5.280 0 1 EKAF CC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354811 OUQMRHXNAVNXAT-CTNGQTDRSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1CC)CC2=O 587460006 KKFUATOVVADPPQ-GOSISDBHSA-N 344.838 5.267 0 1 EKAF CCCCC(CCCC)[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489266 OAILXNKFSIJSAC-HXUWFJFHSA-N 332.484 5.675 0 1 EKAF CC[C@H](C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523307 LBPFFXFBXQCOBY-FYSMJZIKSA-N 348.486 5.960 0 1 EKAF Cc1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623237 AZRLAHHVFVTJQC-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF O=C(c1ccc(Cl)s1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633826 NLYOXTAAOXKGSU-UHFFFAOYSA-N 347.720 5.272 0 1 EKAF COc1cc(C)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587926300 WMAVYULXNYLWKG-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cccc(Cl)c4[nH]3)ccc2c1 587934929 IESDPSBWBVGXQC-GFCCVEGCSA-N 336.822 5.530 0 1 EKAF O=C(c1cccc2ccccc12)n1c(C2CCCC2)nc2ccccc21 1772593666 YEAPPULZCJSLHC-UHFFFAOYSA-N 340.426 5.536 0 1 EKAF CCCCOc1ccc(/C=C/c2cc(O)cc(OCCCC)c2)cc1 1857644269 LFSQRIMBCPAKHO-BQYQJAHWSA-N 340.463 5.920 0 1 EKAF Fc1ccc(Nc2nccc3[nH]c(-c4cccs4)nc23)cc1Cl 74386668 IBPXMGIYKYCQIE-UHFFFAOYSA-N 344.802 5.223 0 3 EKAF CCCC(=O)c1cnc2c(F)cccc2c1Nc1ccc(O)cc1C 10922 YPIQODXWCFFJGR-UHFFFAOYSA-N 338.382 5.114 0 1 EKAF CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)CC3)ccc21 1543312 LKUHOPIEBQOBPT-UHFFFAOYSA-N 348.486 5.814 0 1 EKAF COc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)C)cc1C(C)C 13522221 LPWCYKDBURUOIZ-HNBVHFCESA-N 342.479 5.932 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C 13761098 NARAPOUIUKBGJL-GKFVBPDJSA-N 345.571 6.657 0 1 EKAF CC[C@H](c1ccc(O)cc1Cl)[C@@H](CC)c1ccc(O)cc1Cl 40639540 QMFXLTJKQUFMNV-OKILXGFUSA-N 339.262 6.092 0 1 EKAF Cc1ccccc1CSc1nc(Cl)cc(Cc2ccccc2)n1 49067934 UNXADJWDAYRPTN-UHFFFAOYSA-N 340.879 5.322 0 1 EKAF C[C@@H]1[C@H]2Cc3ccc(Cl)cc3[C@@]1(C)CCN2Cc1ccccc1 169360853 SFRKZPDHORQPCB-LPTQZCDUSA-N 325.883 5.064 0 1 EKAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587011785 KHFRFKJRQNAKDW-UHFFFAOYSA-N 341.333 5.030 0 1 EKAF Clc1cc(Cl)c2[nH]c(CCc3ccccc3Cl)nc2c1 587058956 JXFRKYTTYFOEAU-UHFFFAOYSA-N 325.626 5.308 0 1 EKAF Clc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2nc1Cl 587085805 IRPSEWUZOGBZGK-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)C[C@@H]4C)-c1ccccc1C2=O 587100312 GFJQTTIVBABLBA-OCCSQVGLSA-N 327.427 5.440 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(Cl)cc1C)CC2=O 587460358 FMBKLEGQYJNTJF-SFHVURJKSA-N 344.838 5.321 0 1 EKAF Cc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521348 FDNLFLGNCWPHNN-HSZRJFAPSA-N 334.459 5.371 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2cc1F 587933175 UUERBBVYHCNGRO-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)ncc3[nH]2)cc1 587959369 MKKRVLHZGYAJBO-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CN(CCCCn1ccc2ccccc21)Cc1ccc(Cl)cc1 1772593489 MLYXKECSNCOUPI-UHFFFAOYSA-N 326.871 5.207 0 1 EKAF Brc1cc(Nc2ccccc2)ccc1Oc1ccccc1 1857755396 INRWWSFGFIGXAF-UHFFFAOYSA-N 340.220 5.985 0 1 EKAF CC=Cc1ccc(O[C@@H](C)[C@@H](C)c2ccc(O)c(OC)c2)c(C)c1 2356504072 DGSFXPJUZQZPMR-CVEARBPZSA-N 326.436 5.313 0 1 EKAF CCCCCC[C@H](O)CC=CCCCCCCCCCC(=O)O 2356666764 OONXYOAWMIVMCI-IBGZPJMESA-N 326.521 5.860 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2O1 195499787 WPQHMJJUKITZNQ-WOJBJXKFSA-N 332.447 5.111 0 3 EKAF CCOC(=O)c1ccc([C@H]2C[C@H]2c2ccc3c(c2)[C@H]2CC[C@@H]3C2)cc1 29312059 JXPKDVUVFSQUEH-XQTRSNPVSA-N 332.443 5.499 0 1 EKAF Oc1cc(Nc2cccnc2)cc(-c2cccc3[nH]cc(Cl)c23)c1 34602320 HRHNLBOKCKSDNB-UHFFFAOYSA-N 335.794 5.333 0 1 EKAF Nc1scc(-c2cccc(F)c2)c1C(=O)c1ccc(Cl)cc1 43011657 YLGHPAKJNJKRMA-UHFFFAOYSA-N 331.799 5.021 0 1 EKAF ClC1(Cl)[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 44005542 XYWBEFGHECGBKG-IBGZPJMESA-N 339.265 5.944 0 1 EKAF CCCCS[C@H]([C@@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45394295 CRYLQIVORPQSTP-DLBZAZTESA-N 338.904 5.346 0 1 EKAF CC[C@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=S)cc1 64235701 HHMOBPKKTQMMKW-NSHDSACASA-N 345.851 5.480 0 1 EKAF Clc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 72186437 RCGCEJNYLDZZJB-UHFFFAOYSA-N 342.870 5.053 0 1 EKAF CCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 95563660 LBFQANDXZUXJCY-UHFFFAOYSA-N 331.390 5.575 0 1 EKAF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 100834490 FMPUWHUXNOPVQS-IRFCIJBXSA-N 341.882 5.071 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)ncc4[nH]3)c(C)s2)cc1 587013547 QDXJEBOKZQQWIM-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Fc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587051421 SLFXKRWNIXAUKZ-JGVFFNPUSA-N 339.172 5.419 0 1 EKAF CC(C)Cc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O 587207185 JNPYHZCOXDGMTA-UHFFFAOYSA-N 327.427 5.522 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](F)C3)c1 587361080 VUHNBOKSCBYDST-AWEZNQCLSA-N 347.389 5.483 0 1 EKAF CCCCC/C=C/CC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479296 HSEVZGZPQPHGCX-ROJDOSBLSA-N 330.468 5.595 0 1 EKAF C[C@@H](Cc1ccccc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524518 OASQOSOHQQMFGT-HJPURHCSSA-N 334.459 5.168 0 1 EKAF Cc1cc(F)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587951398 ZKAFQKLQCNGBNG-QXMHVHEDSA-N 344.389 5.973 0 1 EKAF Oc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc2occc12 962664488 OIGPUTLTPNKXHQ-QHCPKHFHSA-N 341.410 5.041 0 1 EKAF CCCN1[C@H](c2cccc(C)c2OC(F)F)c2ccccc2C[C@H]1C 963241143 LUXPBAFAYFZYCR-BEFAXECRSA-N 345.433 5.342 0 1 EKAF O=C(c1ccccc1Cl)c1sccc1-c1cccc(Cl)c1 1857655328 QJWJTKDTZHOFSP-UHFFFAOYSA-N 333.239 5.953 0 1 EKAF Cc1cc(-c2cccc3c(Nc4ccccc4)c(N)sc23)ccn1 1857773654 JIKWEVVFEGVNRQ-UHFFFAOYSA-N 331.444 5.598 0 1 EKAF O=C(C[C@@H](C(=O)c1ccc(F)cc1)c1ccsc1)c1cccs1 1636185 SIFSFCWTJLQYKJ-OAHLLOKOSA-N 344.432 5.188 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)O)c2c1 3746027 YZVDMFATCGKDLI-GFCCVEGCSA-N 341.838 5.629 0 1 EKAF CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=S)[nH]c1C 13826405 IVRVASYPWHAIIN-UHFFFAOYSA-N 332.856 5.195 0 1 EKAF CC/C=C\CCCCCCCCCCOc1cccc(O)c1C(=O)O 26739480 PMZIBMVFRYVAJE-ARJAWSKDSA-N 348.483 5.946 0 1 EKAF CCCC[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27073509 ACXANRVNFDEJLV-FQEVSTJZSA-N 333.475 6.585 0 1 EKAF CCCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100705275 RHUNIBBFMKNRGF-UHFFFAOYSA-N 349.459 5.123 0 1 EKAF CCOC(=O)/C(=C/Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 101435330 ZANZAWYVXZVXOC-LFIBNONCSA-N 336.218 5.010 0 1 EKAF Clc1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192751 BQEHDQNAJBOBKB-UHFFFAOYSA-N 347.849 5.423 0 1 EKAF CC(C)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208402 VLXFJRPAPHTNMU-AWEZNQCLSA-N 327.427 5.522 0 1 EKAF Clc1ccc([C@@H]2CCCCc3c2nc2cccc4c2c3CC4)cc1 587209008 FGRRGQMDMKEATF-KRWDZBQOSA-N 333.862 5.845 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)C(=O)c1coc2ccc(Cl)cc12 587278095 GQIUCNXDDDOEHP-LLVKDONJSA-N 349.213 5.698 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)C)(c1ccc(Cl)cc1)O2 587379788 WRIFPOBVYJCZHB-FQEVSTJZSA-N 343.854 5.137 0 1 EKAF CCc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1772631655 CGZUUUGGDNUKFO-ROUUACIJSA-N 349.301 5.604 0 1 EKAF CCN(CC)c1ccc(NCc2c(-c3ccccc3)noc2C)cc1 1857611256 CEFLEINEIXCVHB-UHFFFAOYSA-N 335.451 5.108 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\Cn1cc(-c2ccccc2)nn1 1857769421 BQDNHCZPLFKYMM-WKMNSNIKSA-N 349.522 6.364 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O 3896091 JLBHTGXFDNZNJL-YPVJZLTNSA-N 336.475 5.274 0 1 EKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 5447615 YUFFSWGQGVEMMI-GCPVBREVSA-N 330.512 6.773 0 1 EKAF C=C(c1cccc(N)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1 166886144 SXWPTPPPPHVKTK-JLHYYAGUSA-N 337.426 5.377 0 1 EKAF O=C(O)/C=C/CCCCCCCCCCCCCCCCCCO 219957245 CKLPOWVYEZATJE-HTXNQAPBSA-N 340.548 6.251 0 1 EKAF in-vitro CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C(=O)C(=O)O 256156630 CQJGVSCAFSXDSB-BZSNNMDCSA-N 326.521 5.715 0 1 EKAF in-vitro Cc1ccc2c3c(cc(CCC(F)(F)F)nc13)-c1ccccc1C2=O 586992672 IIYVGTVWDHBZGE-UHFFFAOYSA-N 341.332 5.250 0 1 EKAF Cc1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587159352 ZQMXGRFCCPFKRP-UHFFFAOYSA-N 330.362 5.157 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@@]1(C)CCC(C)=C(C)C1)CC2=O 587482333 NOYPZBLBROWLCD-FPOVZHCZSA-N 328.452 5.205 0 1 EKAF C[C@]1(c2cccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507244 PJMHNODXBQDUSC-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF O=C1C[C@]2(C[C@H]3CCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587529122 JJFDTGREVXAVAO-OSPHWJPCSA-N 344.454 5.250 0 1 EKAF CC/C(=C\c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587965532 BOJSJHOUNDHNDG-ACCUITESSA-N 330.353 5.841 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(Br)c(C)c2[nH]1 587968990 PEVUHYSOXZGESR-ZRDIBKRKSA-N 333.273 5.784 0 1 EKAF COc1ccccc1C(=O)c1sccc1-c1cccc(Cl)c1 1857773089 DSIYRAHIZDXKRO-UHFFFAOYSA-N 328.820 5.308 0 1 EKAF CO[C@H]1C=C(C)CCC=C(C)CCC=C(C)Cc2cc(O)c1cc2O 2356414565 ZHZZOPYJIJGANS-QFIPXVFZSA-N 342.479 5.741 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CC(=O)C[C@@]12C 2356470018 LABJRCCKHONGEZ-SJBKTWHCSA-N 346.511 5.254 0 1 EKAF CCC=C(C)[C@@H]1C(C)=C[C@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356480690 MKULNXUVQXEUEY-LVOPCWDJSA-N 342.479 5.091 0 1 EKAF CC(=CCCc1ccoc1)C[C@H](O)C[C@H](C)CCCc1ccoc1 2356621217 SFDYMPBPKHWFDV-NQIIRXRSSA-N 330.468 5.552 0 1 EKAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=CC[C@@H]2CO[C@@H](OC(C)=O)[C@H]12 2356652116 PJDVTRLTGORAAO-PXDUREFJSA-N 332.484 5.021 0 1 EKAF Cc1ccc2ccc(-c3ccccc3)c3c2c1C(=O)c1ccccc1C3=O 1619790 IPGFYNSYRXBKTQ-UHFFFAOYSA-N 348.401 5.591 0 1 EKAF CCC(CC)Oc1c(C)c(C)nc(Oc2c(C)cc(C)cc2C)c1C 14974979 RZROJZBUEHSKIG-UHFFFAOYSA-N 341.495 6.292 0 1 EKAF CC(C)(C)c1ccc([C@]2(c3ccccc3)C(=O)Nc3ccccc32)cc1 29551145 RCHBMNGUHAYLDP-DEOSSOPVSA-N 341.454 5.271 0 1 EKAF Oc1ccc(CCCCCCCCCc2c(O)cccc2O)cc1 40938742 GJRGOZGOAXXZFQ-UHFFFAOYSA-N 328.452 5.319 0 1 EKAF biogenic CC(C)c1ccc(-n2c(=S)oc3cc(Cl)ccc3c2=S)cc1 64560357 CTUAESOXDWIVGE-UHFFFAOYSA-N 347.892 6.459 0 1 EKAF CCCCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 238761141 VQHJSIBYSWTMLS-IUMLYUAESA-N 344.539 6.861 0 1 EKAF OCCCCCCCCCCCc1nc2cc(Cl)c(F)cc2[nH]1 586894851 WHUVIRGIGCIEAO-UHFFFAOYSA-N 340.870 5.401 0 1 EKAF Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992716 YKOAUMARAFYVKS-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CCC[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101110 RBMWRQOJQABLDN-CQSZACIVSA-N 327.427 5.585 0 1 EKAF O=C1c2ccccc2-c2cc(-c3coc4ccccc34)nc3cccc1c23 587205671 BTGGJXYZZUVUMT-UHFFFAOYSA-N 347.373 5.859 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C1CCCC1)CC2=O 587480390 JVAZSSNMNCNMCJ-LAUBAEHRSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3c(C)cccc13)CC2=O 587485233 QTLVFKTUFRVQEP-LJQANCHMSA-N 349.430 5.149 0 1 EKAF Cc1c(-c2cccc(Br)c2)[nH]c2c(C)cc(Cl)cc12 587624125 XWVYFJDOFFLDIF-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(OC(F)F)cc1 587629355 LPKCUUNUAYARAT-UHFFFAOYSA-N 339.744 5.461 0 1 EKAF Clc1cnc2[nH]c(/C=C\c3cccc4ccccc34)nc2c1Cl 587966419 CNLFKIZZZXYTCE-HJWRWDBZSA-N 340.213 5.588 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@]1(CCC[C@@H]1c1ccccc1)NCC2 963115966 BJHQENSJUAPKHC-VQIMIIECSA-N 332.274 5.302 0 1 EKAF BrC(=C(Br)c1ccccc1)c1ccccc1 2356589916 XNJYRGMCZCPTJE-UHFFFAOYSA-N 338.042 5.302 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356683542 YWHGASVUJAMQSY-IRLDBZIGSA-N 332.528 6.219 0 1 EKAF CCCOc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517709 LQPMXXZUCWXGDX-UHFFFAOYSA-N 339.479 5.040 0 1 EKAF CCCC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2 13741443 CNSKLJKHQGIUGM-QGZVFWFLSA-N 340.463 5.327 0 1 EKAF c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CN1CCCCC1 34849739 KPTFXOABKWRVBF-UHFFFAOYSA-N 348.534 5.325 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)ccc2ncoc12 38962050 LXWIJLMRFWGTQK-SFPRVHAESA-N 339.479 5.875 0 1 EKAF biogenic C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccccc2)c1 66156688 GZFJICOQZVTGKA-UHFFFAOYSA-N 337.531 5.790 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC(=O)O)O2 85589186 RXYXCDMLSTZSRY-LRTDBIEQSA-N 348.483 5.072 0 1 EKAF endogenous,in-man C/C(=C\CC[C@@]1(C)C=Cc2c(O)cc(C)cc2O1)CC(=O)CC(C)C 143558183 VUVNQZRURYVICD-RWHUQTJRSA-N 342.479 5.597 0 1 EKAF COC(OC)[C@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238755492 WYIQMFYYLDLRBC-UXTOGGPVSA-N 334.544 5.654 0 1 EKAF CCc1cc(OCc2nc3cc4ccccc4cc3[nH]2)ccc1Cl 587052803 NHPNDUFEHVNODE-UHFFFAOYSA-N 336.822 5.511 0 1 EKAF Clc1cccnc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587065657 WIOUOFFDVAXQHD-UHFFFAOYSA-N 337.835 5.430 0 1 EKAF Clc1cc2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2cn1 587084477 BBDVUXSPHQJEMG-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF CSc1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110197 VSHQTMXETJYKHE-UHFFFAOYSA-N 326.318 5.110 0 1 EKAF Cc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587146272 GXGMGRHQOYFIIV-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccs3)c1)O2 587412273 ILZVXKFGFIDZQQ-GOSISDBHSA-N 335.428 5.012 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587950299 AWAIOJQACFVPKS-NHCYSSNCSA-N 342.270 5.311 0 1 EKAF Cc1cncc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587956798 BGQNZWYTNPLJEO-UHFFFAOYSA-N 345.487 5.185 0 1 EKAF CC(C)N(CC[C@H](O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 653843983 LLGVBTZZTUJXQH-QFIPXVFZSA-N 339.523 5.318 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@]12C 2356495265 LNFUVCZSCYWOTA-YJPXFSGGSA-N 344.451 5.167 0 1 EKAF CN1CCCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36161059 RDCAIAQIDQZKDR-FQEVSTJZSA-N 335.426 5.040 0 1 EKAF Cc1ccc2oc(-c3cc(Cc4ccccc4)ccc3O)cc(=O)c2c1 40972937 UHHVZGAPCPFAGJ-UHFFFAOYSA-N 342.394 5.065 0 1 EKAF COc1ccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)cc1 73157990 IQJNWBDZKFSMLG-XDHOZWIPSA-N 335.491 5.053 0 1 EKAF CC1(C)[C@@H]2CC[C@]1(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)C2 100795964 XLXBFPDBOJGPBC-UZUQRXQVSA-N 334.459 5.746 0 1 EKAF Cc1ccc(C2=NN[C@H](c3cc4cccc(C)c4nc3Cl)C2)s1 103205143 IXBMKOIKNAULKS-AWEZNQCLSA-N 341.867 5.005 0 1 EKAF Cc1ccc(-c2nnc(-c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 103208905 LBNRVFHSKZBYON-UHFFFAOYSA-N 336.778 5.625 0 1 EKAF Cc1ccc(C(=O)Oc2cc3cc(C)nc4cc(C)oc(c2)c34)cc1 169350129 BTTNLBXUFMGIJP-UHFFFAOYSA-N 331.371 5.125 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 587479470 IKBIKJCPRTVVMN-FQEVSTJZSA-N 338.447 5.349 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(C)cc(C)c3)c2c1 587641871 ICUARARNFOZBQA-HNNXBMFYSA-N 334.463 5.859 0 1 EKAF Cc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587955836 QPRURLUWSWXDEW-FQEVSTJZSA-N 326.443 5.554 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2[nH]c3ccccc3c2Cl)N1 962943351 GQHQPBPFIISCLQ-LAJNKCICSA-N 349.865 5.316 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12C=C[C@](C)(c1ccccc1)CC2 963240557 KOONRNIJGMHFQY-DCEDVJGZSA-N 345.530 5.846 0 1 EKAF CC(C)(C)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)s1 3833989 OCLWZPDADKFUMC-UHFFFAOYSA-N 343.279 5.996 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@H]1CN2CCC1CC2 13757104 JYKGVYPJUOEYGA-DQUCQVDPSA-N 331.544 5.516 0 1 EKAF O=C(O)[C@H]1C[C@H]1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978955 AYQLRMNZMKEEKX-VXKWHMMOSA-N 343.426 5.154 0 1 EKAF CC1(C)CCC(C)(C)c2cc([C@H]3C[C@H]3c3ccc(C(=O)O)cc3)ccc21 29327400 MTIYIBBJPCLFQW-RBUKOAKNSA-N 348.486 6.005 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccsc1)N2 38356186 ZGVZXPRTLYOKED-SNRMKQJTSA-N 327.493 5.680 0 1 EKAF O=C(O)c1cccc(CSCc2ccc(Cl)cc2Cl)c1 66156776 HGKCARZTNCHYIF-UHFFFAOYSA-N 327.232 5.125 0 1 EKAF in-vitro CCOc1ccc(-c2nc(CN(CC)c3cccc(C)c3)co2)cc1 72184574 KHFKHJFWHGFIFO-UHFFFAOYSA-N 336.435 5.075 0 1 EKAF CC(C)/C=C\C[C@H](C)CCC[C@H](C)/C=C\CC/C=C\CCCC(=O)O 169636541 CNLCUGBJDBKIAL-GSYCGVHDSA-N 348.571 7.179 0 1 EKAF CC(C)c1ccc2c(c1)CN1c3ccc(C(C)C)cc3CN2C1N(C)C 200621940 FDABAPVMJVLKMS-UHFFFAOYSA-N 349.522 5.119 0 1 EKAF Clc1ccc(CNC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1 211030229 OCGHQROZTRFTIX-YOEHRIQHSA-N 345.273 5.368 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587052170 XLUAPVJNHURSSF-NEPJUHHUSA-N 331.246 5.758 0 1 EKAF Clc1ccc(C2(c3nc4cnc5ccccc5c4[nH]3)CCC2)cc1 587074657 ZFLQDADTCSFZFD-UHFFFAOYSA-N 333.822 5.235 0 1 EKAF Cc1c(-c2cccc(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103221 IEYWFXWAUJMRHA-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CCCC[C@@H]1CC3 587208380 UYTGMCHWXYWTNN-CABCVRRESA-N 339.438 5.666 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1 587565797 UEBDIZDRXLPUHY-UHFFFAOYSA-N 344.458 5.983 0 1 EKAF O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633640 IOVNICCVSNGDJY-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF CCC[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C 587954609 BTGRYZDJRPDLHB-QMMMGPOBSA-N 331.204 5.143 0 1 EKAF COc1ccc2c(c1)[C@]1(CC[C@@H](c3ccccc3)C1)N(C(C)C)CC2 962095908 XLYYTZRDGPMPHZ-NFBKMPQASA-N 335.491 5.125 0 1 EKAF CCCC[C@@H]1CCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962696489 FSXMVXFHGLPZTL-CBGDNZLLSA-N 347.543 5.375 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@]21C 2356376405 RLSZLHWSJHPNCK-IFMALSPDSA-N 342.479 5.406 0 1 EKAF CC(=O)O[C@@H](CC=C(C)C)C(C)=CCCC(C)=CCCc1ccoc1 2356529800 SOHPHTAYOPPFMJ-QFIPXVFZSA-N 344.495 6.173 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 5734081 ANAMDWGJXBYJEB-ZTENJDDASA-N 326.480 5.032 0 1 EKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2ccccc2Cl)cc1 12948792 BWJJILLEXQJLOI-HNNXBMFYSA-N 331.246 5.216 0 1 EKAF C/C(=C\CCc1ccoc1)CC(=O)C[C@@]1(C)CCCc2ccoc21 13415495 NQLMQSZWWCKWNA-FFWACIGYSA-N 326.436 5.395 0 1 EKAF CC(C)(C)C(=O)Sc1ccccc1NC(=O)C1(C)CCCCC1 26578106 WBCRBXAFIQXPJQ-UHFFFAOYSA-N 333.497 5.260 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)OCC 38146718 MFNPOXBAFADXSN-AIBIWWTJSA-N 347.543 6.488 0 1 EKAF CC/C=C/[C@H](CC)C[C@H](C)C[C@@]1(CC)C[C@]2(CC)OC(=O)C[C@@H]2O1 38608191 KYRQYILNTDFRHT-YKSJMHORSA-N 336.516 5.429 0 1 EKAF CC(C)(C)c1ccc(SC[C@@H](c2cccnc2)c2c[nH]cn2)cc1 64573961 YVGCLDBDDBQLIK-SFHVURJKSA-N 337.492 5.026 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC3CCC3)cc2)n1 72185721 JMFJJUGGBGJZNB-MRXNPFEDSA-N 342.483 5.331 0 1 EKAF OC1=C2C(=Nc3ccc4ncccc4c3[C@H]2c2cccc(O)c2)CCC1 101679176 WOBDOASPGMXUAV-HXUWFJFHSA-N 342.398 5.154 0 1 EKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cccnc4[nH]3)cs2)c1 587015564 PWAXHRZQBBGOHR-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1nccc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c12 587030699 JSNRYSJRUMRRHS-GFCCVEGCSA-N 348.475 5.225 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cncc(C)c2[nH]1 587073946 OEFQNCQOZYIIHD-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(C)(C)C)cccc3[nH]2)n1 587079311 IVAWBNSWEFUSJE-NSHDSACASA-N 330.863 5.348 0 1 EKAF CC(=O)c1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114215 RGROPDIDHOTGKX-LLVKDONJSA-N 346.352 5.131 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccc1)C3 587208401 VLULKNISUQSRPQ-SFHVURJKSA-N 333.390 5.134 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCC3(CCCCC3)CC1)CC2=O 587479606 IPLCDAOZSULBBF-UHFFFAOYSA-N 342.479 5.573 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC)(Cc1ccccc1)CC2=O 587489142 MSQFHHFHXYNRPK-JOCHJYFZSA-N 338.447 5.092 0 1 EKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587504995 KJFDIUYCQOJWRI-IBGZPJMESA-N 326.823 5.234 0 1 EKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(F)(F)F)c(F)c1 587629868 LSQXUGXVNPTPNS-UHFFFAOYSA-N 349.661 5.924 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 587641478 GBUFPSPBPJRHMU-HUUCEWRRSA-N 334.463 5.481 0 1 EKAF CCCCCc1cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1 1857765948 RWNCLLIABLIXAV-QUIOSVDYSA-N 343.559 6.430 0 1 EKAF C[C@@](O)(c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61906919 QCGYRYRTHMDUKR-QGZVFWFLSA-N 349.377 5.085 0 3 EKAF Fc1ccc(Nc2ccnc(-c3ccccc3C(F)(F)F)n2)cc1 4265789 WFDRERSLALMUAA-UHFFFAOYSA-N 333.288 5.045 0 1 EKAF Cn1cc([C@@H](c2ccccc2)c2ccc(Cl)s2)c2ccccc21 6737742 QSPRXKAXHQAPTA-HXUWFJFHSA-N 337.875 6.073 0 1 EKAF aggregator CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1Cl 13742204 AWTXZLKATZNERV-UHFFFAOYSA-N 338.838 5.923 0 1 EKAF C/C(=C\CCc1ccoc1)C[C@@H](O)C[C@H](C)CCCc1ccoc1 15222715 SFDYMPBPKHWFDV-RHKGMESRSA-N 330.468 5.552 0 1 EKAF O=C1c2ccccc2CCC[C@H]1CC1CCN(c2ccccc2)CC1 53246926 VRIRSGPSYJRDTE-FQEVSTJZSA-N 333.475 5.129 0 1 EKAF CCS[C@@H]1SC(c2ccccc2)(c2ccccc2)c2ccccc21 96903418 KQGRJLLVBPJGTK-OAQYLSRUSA-N 348.536 6.477 0 1 EKAF CCCCC/C=C\CCCCCCCC(=O)c1c(O)cccc1O 218914082 PIYOLRGHWLSGDE-SREVYHEPSA-N 332.484 6.148 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 299808423 SOAIWELMVRCOAD-UTOHAZMKSA-N 346.511 5.252 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 586897333 AZUYSEZWQRYSBX-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF Cc1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1C 587243101 AERKHLOHJJIMRW-UHFFFAOYSA-N 341.414 5.099 0 1 EKAF CC[C@@]1(c2cccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505658 PPAGAOTVJGJSCH-NRFANRHFSA-N 342.385 5.114 0 1 EKAF Cc1cccc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587527705 VQUQEUCNCPZPLC-HSZRJFAPSA-N 345.442 5.236 0 1 EKAF COc1cccc([C@@H](C)Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587931987 QPHQUHSFSMKJPP-JTQLQIEISA-N 335.234 5.225 0 1 EKAF C/C(=C\c1nc2cc(C)c(Br)cc2[nH]1)C1CCCCC1 587969164 VRUUKZSVTSEBBW-PKNBQFBNSA-N 333.273 5.617 0 1 EKAF CCCCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 618009827 LCLGEQFIQSZPFS-UHFFFAOYSA-N 347.506 5.193 0 1 EKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1sccc1-c1ccccc1)C2(C)C 1857633766 UDQWQTWXCKZYKW-SKWUIDRYSA-N 325.521 5.575 0 1 EKAF CC(C)=CCc1ccc2c(c1O)C(=O)C[C@@H](c1ccc(Cl)cc1)O2 1857651724 SWOXJHNRBMDZIQ-SFHVURJKSA-N 342.822 5.261 0 1 EKAF CCC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 2356698618 FMPYPHJPXNPQNT-XCLFUZPHSA-N 340.419 5.070 0 1 EKAF CC(C)=CCC[C@]1(Sc2ccccc2)C(=O)OC[C@H]1C=C(C)C 1862100 PHICXSXVRZDAIF-YLJYHZDGSA-N 330.493 5.403 0 1 EKAF CCNC(=O)C[C@H](C)CCC[C@H](C)CCC1=C(C)CCCC1(C)C 6385262 OILOTJCBEZVVOB-ZWKOTPCHSA-N 335.576 6.262 0 1 EKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)OCc3c(O)ccc(O)c3C[C@@H]12 13430303 BRWDZWVXKDCZIO-UGESXGAOSA-N 344.495 5.172 0 1 EKAF biogenic Oc1ccc(C/C=C2\C3C[C@@H]4C[C@H](C3)CC2(c2ccc(O)cc2)C4)cc1 13644979 RLOLVQCVUBTXHJ-DCWXNDJUSA-N 346.470 5.345 0 1 EKAF CC(=O)OC1=C(c2ccccc2)Sc2cc(C)ccc2-n2cccc21 13739879 AHLAUUYLWPVRKV-UHFFFAOYSA-N 347.439 5.280 0 1 EKAF c1ccc(Oc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)cc1 40957904 FJHNBHJQYNTDGX-HSZRJFAPSA-N 345.442 5.052 0 1 EKAF CC1(C)CC2=NN=C(c3ccccc3)C[C@H](c3ccccc3)C2=C(O)C1 104047523 KJHKOHCCMRFGHF-GOSISDBHSA-N 344.458 5.651 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 238773206 CZUWIMDOXXXJRE-HAYCEANTSA-N 348.527 5.046 0 1 EKAF Oc1cccc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586896530 SVMJIEIKENLNLQ-UHFFFAOYSA-N 346.455 5.205 0 1 EKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994677 BTMSFVMXVSQOIV-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF CC(C)Oc1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587084465 ATHGSZRSBFIXBC-UHFFFAOYSA-N 337.810 5.219 0 1 EKAF Cc1ccc([C@H](C)c2cnc3cccc4c3c2-c2ccccc2C4=O)o1 587207887 YMSNGGXPLZPKAN-CQSZACIVSA-N 339.394 5.499 0 1 EKAF CCCCCOc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278441 NFXJCCDSMDPSMN-UHFFFAOYSA-N 342.822 5.886 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628094 IAVHWMJIKQFIEG-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629290 IREZFOFWAQRREK-UHFFFAOYSA-N 339.744 5.580 0 1 EKAF Cc1ccc(C(C)C)n1-c1cnc2cc(Br)ccc2c1 587941142 SEBCUFPIUDYIFT-UHFFFAOYSA-N 329.241 5.220 0 1 EKAF CCc1ccc(C(=O)CCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587956938 MUISVPXBVSULMM-UHFFFAOYSA-N 334.463 5.238 0 1 EKAF COc1ccc2c(c1)[C@@]1(C)Cc3c([nH]c4ccccc34)C(C)(C)[C@H]1CC2 1857545998 BJWNNDSAWKTADI-ZJSXRUAMSA-N 345.486 5.531 0 1 EKAF CO[C@@H]1C=C(C)CCC=C(C)CCC=C(C)Cc2cc(O)c1cc2O 2356414564 ZHZZOPYJIJGANS-JOCHJYFZSA-N 342.479 5.741 0 1 EKAF CC(C)c1ccc(Sc2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1 3654294 DVTQMSBSWKXIKD-UHFFFAOYSA-N 344.867 5.195 0 1 EKAF c1ccc2c(c1)CC[C@H]1CN(Cc3ccc4ccccc4c3)CC[C@@H]21 26171581 DHGCVKUAXYUOLN-LADGPHEKSA-N 327.471 5.392 0 1 EKAF C[C@H](CCN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 28642410 NGVZNUKOMGCFRY-HXUWFJFHSA-N 329.487 5.979 0 1 EKAF CCOC(=O)c1ccc(NCCCCCCCc2ccccc2)cc1 29203252 GVYGECOMGFAWQL-UHFFFAOYSA-N 339.479 5.468 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@@H]2CC[C@H]1N2C 29323936 OBQNBIYHGKLYKZ-JVNMPXIPSA-N 349.518 5.509 0 1 EKAF Cc1ccc(CCNCc2coc(-c3cccc4ccccc34)n2)cc1 72185013 GBKKMHRGXCMDEX-UHFFFAOYSA-N 342.442 5.136 0 1 EKAF CCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1 95584983 IXVMCANTGMOZNZ-UHFFFAOYSA-N 329.487 5.322 0 1 EKAF CCNC(=O)/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 169365318 WKYDOCGICAMTKE-ACGOHHDDSA-N 327.512 5.654 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)o1 586902118 ABNPVHVSUHVCMS-UHFFFAOYSA-N 346.283 5.355 0 1 EKAF CCCCc1nc2ccc(O)c3c2c(c1CCC)-c1ccccc1C3=O 586991115 IWOABCCDKMNSMZ-UHFFFAOYSA-N 345.442 5.447 0 1 EKAF Cc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1C 587125860 UPIWFDXYHAQPAA-UXBLZVDNSA-N 348.393 5.962 0 1 EKAF O=C(Cc1cc(Cl)ccc1Cl)c1coc2ccc(Cl)cc12 587279223 YYMMHOWLGAMVKD-UHFFFAOYSA-N 339.605 5.818 0 1 EKAF O=C1C[C@@H](c2cc3cc(F)ccc3o2)Oc2c1ccc1c2CCCC1 587506457 KEGWRFXHFIPIBR-FQEVSTJZSA-N 336.362 5.157 0 1 EKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2cccc(F)c2)cc1 587634606 MHKPDXRAULXGCW-UHFFFAOYSA-N 335.353 5.789 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCCCCC2)N1 587824481 XAIRXPKCKWOVLA-GTNSWQLSSA-N 340.280 5.134 0 1 EKAF CC(=O)O[C@H](CC=C(C)C)C(C)=CCCC(C)=CCCc1ccoc1 2356529799 SOHPHTAYOPPFMJ-JOCHJYFZSA-N 344.495 6.173 0 1 EKAF Cn1cc(SCc2ccc(Br)cc2)c2ccccc21 425854 SGLUDCGIMUWLAM-UHFFFAOYSA-N 332.266 5.233 0 1 EKAF c1ccc(CN2CCC(CCc3nccc4ccccc34)CC2)cc1 1482904 XYBJWCKGZDRJOC-UHFFFAOYSA-N 330.475 5.080 0 1 EKAF CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2OC)C1 13581248 NCAKKDDHRADESJ-IBGZPJMESA-N 337.507 5.342 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C(\C(=O)O)C(C)C)C(C)(C)CCC1 13650250 NKQIYDSGIYJXSA-QNYHTRPVSA-N 342.523 6.629 0 1 EKAF CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)c(O)c1 29049752 MQSIKLFXBKTOER-UHFFFAOYSA-N 327.424 5.266 0 1 EKAF in-vivo Oc1ccc(-c2ccsc2-c2ccc(O)cc2Cl)c(Cl)c1 95587423 XPRHLASMRJSCFQ-UHFFFAOYSA-N 337.227 5.800 0 1 EKAF C[C@H]1c2ccsc2CCN1C(=O)Nc1c(Cl)cccc1Cl 197793051 ROIOPSYYWSWHLP-VIFPVBQESA-N 341.263 5.206 0 1 EKAF CC[C@H](C)CCCCC/C=C\[C@H](C)[C@H](O)CCCCCC(=O)O 238787563 KUETZEFEIMFMOF-GFPUJLQGSA-N 326.521 5.571 0 1 EKAF Cc1c(-c2cccs2)nc2cccc3c2c1-c1ccccc1C3=O 587208336 QHJSHBJUELPBID-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF O=C1C[C@@]2(CCC[C@@H](c3cccnc3)C2)Oc2c1ccc1c2CCCC1 587516025 TVGDBBSKQUJXKE-HXOBKFHXSA-N 347.458 5.022 0 1 EKAF C[C@H]1c2ccccc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524194 LABNZXWJSGRGRH-WNSKOXEYSA-N 332.443 5.019 0 1 EKAF CCCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533151 UNCNPSUSEJARRW-SFHVURJKSA-N 326.461 5.286 0 1 EKAF O=C1OCc2cc(-c3ccc(-c4ccccc4Cl)s3)ccc21 653689979 JFIVHKDKRSEPCB-UHFFFAOYSA-N 326.804 5.406 0 1 EKAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@H]12 2356641681 YUAQBFTWNHXSHR-CEIVAIHVSA-N 330.468 5.094 0 1 EKAF CCC=CC=C[C@H](O)CC=CCC=CCC=CCC=CCCC(=O)O 2356672939 CSXQXWHAGLIFIH-NRFANRHFSA-N 344.495 5.520 0 1 EKAF CC1(C)CCC(C)(C)c2cc3c(cc21)C=C(c1ccc(C(=O)O)cc1)C3 40465231 PXQLZDXSLKKNMV-UHFFFAOYSA-N 346.470 5.831 0 1 EKAF c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)cc1 40953341 QATGZSQRGVRBGH-HSZRJFAPSA-N 344.458 5.004 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)nc2ccccc12 64491959 RGGQQFHBFCULRI-UHFFFAOYSA-N 332.190 5.186 0 1 EKAF c1cc[n+](CCCCCCCCCC[n+]2ccc3ccccc3c2)cc1 103240450 TVYZGBBYZJIGGJ-UHFFFAOYSA-N 348.534 5.236 0 1 EKAF CC(C)(C)[C@]12CCN(CCc3ccccc3)[C@@H](Cc3ccccc31)C2 169366223 GNRWNWORPLYLAS-URXFXBBRSA-N 333.519 5.234 0 1 EKAF Cc1ccc2c(ccc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c32)n1 587016886 PFCQIOSAPAIAHR-UHFFFAOYSA-N 346.415 5.111 0 1 EKAF Cc1c(Br)cccc1C(=O)c1coc2ccc(Cl)cc12 587276154 LEGPMKOKFFHYSE-UHFFFAOYSA-N 349.611 5.388 0 1 EKAF O=C(c1sc2cc(F)ccc2c1Cl)c1coc2ccccc12 587281063 RZVFBJHZBWDVOM-UHFFFAOYSA-N 330.767 5.671 0 1 EKAF COc1cccc(-c2cc(-c3ccc[nH]3)nc3c2oc2ccccc23)c1 587362885 MLGUIQGBICSNEN-UHFFFAOYSA-N 340.382 5.652 0 1 EKAF COc1cccc(-c2c([C@@H]3CCOC3)cnc3c2oc2ccccc23)c1 587366436 PHUFRZHLAPRTAN-OAHLLOKOSA-N 345.398 5.161 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2C3)cc1 653733709 PHXRMOFHECXFMG-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF COC(=O)CCCCCCCC=CCCCCCCCC(=O)O 2356742854 GRZDROOKRHIWCK-UHFFFAOYSA-N 326.477 5.262 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC(=O)O 12495859 ORMFWDWAJNERRN-HSALFYBXSA-N 326.565 6.926 0 1 EKAF endogenous,in-man CCN(CC)CCCNc1cc(Cl)ccc1Sc1ccccc1 13763911 UBJVEFLUQPKGAG-UHFFFAOYSA-N 348.943 5.635 0 1 EKAF C/C(=C/CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 14690777 ISBNMFLPVWHCIH-FHVGVICVSA-N 338.491 5.181 0 1 EKAF endogenous,in-man CNc1c(C)c(O)c2c(c1O)[C@H](C)CC[C@@H]2[C@@H](C)CCC=C(C)C 15150366 KZZKJBOEEWEBSF-SQWLQELKSA-N 331.500 5.811 0 1 EKAF biogenic C[C@@H](NCc1cc2cc(Cl)ccc2[nH]1)c1cccc2ccccc12 26994582 HXVUGKXQJRPMTM-CQSZACIVSA-N 334.850 5.825 0 1 EKAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 27558182 QUFRNANIXKUCID-SHDRWHCGSA-N 348.527 5.347 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C1(/C=C\CCCC(=O)O)CC1 27866866 TXGBEZKLKPIFFD-WNWUEEALSA-N 330.512 6.607 0 1 EKAF Clc1ccc2sc(-c3ccccc3)c(CCN3CCCC3)c2c1 39223361 CACSKFLZBNLNGM-UHFFFAOYSA-N 341.907 5.860 0 1 EKAF Cc1cc2ccc(-c3c(C)cc(O)c4c(O)cccc34)c(O)c2c(C)n1 40584755 OHYMSFJUSINCFO-UHFFFAOYSA-N 345.398 5.097 0 1 EKAF CCOc1ccc2c(c1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)C2=O 49807357 NCLFAXCWLHCFCE-JTHBVZDNSA-N 344.410 5.186 0 1 EKAF CC(C)c1ccc(Nc2nccc3c2ncn3Cc2ccccc2)cc1 74386801 KPJWQXIXXWZBQV-UHFFFAOYSA-N 342.446 5.347 0 1 EKAF Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 84689894 PRAXVMOBNOHQJB-UHFFFAOYSA-N 346.426 5.258 0 1 EKAF CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CCCC(=O)O 205091745 KNTPSPKZGNVRML-UHFFFAOYSA-N 349.858 5.313 0 1 EKAF in-vitro CCc1cccc(-c2cc(N[C@@H](C)c3cccc(OC)c3)nc(C)n2)c1 205345455 FGDGWMGHMXJQFJ-HNNXBMFYSA-N 347.462 5.196 0 1 EKAF COc1ccc2c(c1)C[C@@H]1[C@@](C)(CC[C@H]3CC(C)(C)CC[C@]31C)O2 238743604 OTQYXSRTAPOZDP-NTSGDEEZSA-N 328.496 5.631 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586884728 INORUQHCEHMALC-UGSOOPFHSA-N 329.230 5.241 0 1 EKAF Clc1ccc2[nH]c3c(c2c1)CCc1c-3nc2cccc3c2c1CC3 587209828 YXGDLGYNOPAPDM-UHFFFAOYSA-N 330.818 5.234 0 1 EKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1-c1ccccc1 587210644 UDBLGQNOCKEVFP-UHFFFAOYSA-N 325.386 5.807 0 1 EKAF C[C@@]1(c2ccccc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526893 XOLGPAUYEWVUQJ-QHCPKHFHSA-N 332.443 5.323 0 1 EKAF C[C@]1(c2ccc3ncsc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587539029 UJEFEIGUYOAHST-OAQYLSRUSA-N 349.455 5.056 0 1 EKAF COc1cccc(C2(c3nc4ccc(C(C)(C)C)cc4[nH]3)CCCC2)c1 587933454 OVDIJGTZAHIPGZ-UHFFFAOYSA-N 348.490 5.729 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(Cl)c2)n1 653778397 JYCFYDSSJVCEKH-LJQANCHMSA-N 349.865 5.595 0 1 EKAF Cc1c(F)ccc2c1[C@H]([C@@H]1CC3=C(CCCC3(C)C)C[C@@H]1C)NCC2 962096725 ZJPSKTHEOOGNSY-OHOGDBNVSA-N 341.514 5.874 0 1 EKAF CC1=C(CC[C@]2(C)NCCc3c2c(C(C)C)nn3C)C(C)(C)CCC1 962917704 GFINXMGKOJVZCR-QFIPXVFZSA-N 343.559 5.211 0 1 EKAF Oc1ccccc1-c1cc(-c2ccsc2)nc2c1Cc1ccccc1-2 1772580031 IBGLOQGROLVIES-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF CCCCCC=CC=C[C@H](O)CC=CCC=CCCCC(=O)OC 2356455471 UXMIJODNYUZSNX-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CCCCc1c2c(nc3c1CCC[C@@H]3O)/C(=C/c1ccccc1)CCC2 5733260 FDVUQCGLZRMZJI-BKELBIJQSA-N 347.502 5.671 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H]1CCC(=O)O1 28338087 XXDCQILFOJEYSU-GABUGCEHSA-N 342.523 6.614 0 1 EKAF CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3)cc2s1 29041772 ONJXQDAGAHGGJM-UHFFFAOYSA-N 335.432 5.439 0 1 EKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(C)cc2Cl)cc1 40395211 JPUYHIJAMFRHGL-IBGZPJMESA-N 340.854 5.364 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(C)c(C)oc2c1-3 45365623 CQLSIMBCYSNKPJ-HXUWFJFHSA-N 331.459 5.582 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1ccc(OC)cc1 71282293 DMJRKYUIWNTCLC-QHCPKHFHSA-N 348.490 5.096 0 1 EKAF c1ccc(Nc2ccc(Oc3ncccc3-c3ccsc3)cc2)nc1 139347108 LTLDTSWFPOCDLW-UHFFFAOYSA-N 345.427 5.741 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@@H]2CC[C@@H]1N2C 169364283 OBQNBIYHGKLYKZ-KHUIQGCPSA-N 349.518 5.509 0 1 EKAF CCC(=O)[C@H]1[C@H](c2ccc(C(CC)CC)cc2)C[C@H]2CC[C@H]1N2C 253898157 QRTMYRXFCOZLFS-DYQZNNLLSA-N 327.512 5.136 0 1 EKAF Fc1ccc(CNc2nc(C3CCCCC3)nc3ccccc23)cc1 299829590 HRVVYUAASMASIW-UHFFFAOYSA-N 335.426 5.429 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586882049 RWFDBCDNJCHGLS-UHFFFAOYSA-N 334.250 5.619 0 1 EKAF Cc1c(Cl)ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587053809 ISDPVAWVAJYKET-YVMONPNESA-N 337.637 6.002 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587086252 ZFQOXYMLSGVAKN-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CCc1c(CC(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100069 ZLIUUOSSPJVJJX-UHFFFAOYSA-N 329.443 5.516 0 1 EKAF Oc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587126326 XNRXBAQLNRURGV-TWGQIWQCSA-N 336.338 5.051 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(F)cc(F)cc3[nH]2)cc1 587164766 WLSUREMYNCZDEI-UHFFFAOYSA-N 330.334 5.376 0 1 EKAF C/C(=C\c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205798 FTPWZZLDHJWLBV-JQIJEIRASA-N 347.417 6.007 0 1 EKAF Cc1cc2c(cc1C)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587207468 LDVDEDVFNPAUMP-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF CCCC[C@@H](OC)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587212693 UKEMUOFBIUSDRJ-JOCHJYFZSA-N 331.459 5.878 0 1 EKAF O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12 587634801 RRAOQOMMLZCQHA-UHFFFAOYSA-N 349.336 5.050 0 1 EKAF CCCc1c(-c2ccc(Cl)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587640304 HBCLMDFNCGOFKQ-AWEZNQCLSA-N 325.883 6.954 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587932199 VNRBTGOFCQRRPQ-XIKOKIGWSA-N 347.245 5.324 0 1 EKAF Cc1ccc(C)c(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587961655 SPPGEZHGDUJMCE-UHFFFAOYSA-N 343.268 5.150 0 1 EKAF Clc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2nc1Cl 587965020 MDQAXTNHYSXCBX-UHFFFAOYSA-N 334.250 5.104 0 1 EKAF c1coc(CN2CCc3sccc3[C@]23C[C@H]2C[C@@H]3[C@H]3CCC[C@H]32)c1 962705138 KCQNVCXEEOMJIH-HVHLAFJNSA-N 339.504 5.051 0 1 EKAF CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(N)cc1 1772574784 VYOXEPODRRKIAE-UHFFFAOYSA-N 331.415 5.049 0 1 EKAF COc1ccc(CN2c3ccccc3Sc3ccccc32)cc1O 1772588340 FRTSQHXZCSVXNK-UHFFFAOYSA-N 335.428 5.204 0 1 EKAF COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@H]2c1ccc(F)c(F)c1 1857634424 FBDASCMVNLCAQQ-SFTDATJTSA-N 338.353 5.239 0 1 EKAF CC(=CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 2356285388 ISBNMFLPVWHCIH-JVDITQEKSA-N 338.491 5.181 0 1 EKAF CC1=C(C)C(Cc2occ(C)c2COC(=O)C=CC(C)C)=CCC1 2356378836 WVTBXBYPYMHVRA-UHFFFAOYSA-N 328.452 5.443 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 6804217 CSVZRSLESIKPMY-NNLUDWOUSA-N 347.458 5.244 0 1 EKAF CC(C)Oc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796329 BCJNNDQKUPBJIG-UHFFFAOYSA-N 348.512 5.293 0 1 EKAF OCCCCCCCCCCCCCCCCCCCCCO 15269055 YDIUKXTYXBWRIP-UHFFFAOYSA-N 328.581 6.383 0 1 EKAF endogenous,in-man C[C@H](CCc1ccccc1)NC[C@H](c1ccccc1)C1CCCCC1 27759669 LEIWFJXUAFQCSD-HYBUGGRVSA-N 335.535 5.961 0 1 EKAF C[C@H](Cc1ccc(O)cc1)NC[C@H](c1ccccc1)C1CCCCC1 27766794 NBTFATDMJLDJTE-WZONZLPQSA-N 337.507 5.277 0 1 EKAF C=C(c1ccc(Cl)cc1OCc1ccc(Cl)cc1)n1ccnc1 28762495 KOIKAEPRPNVDMY-UHFFFAOYSA-N 345.229 5.288 0 1 EKAF CCCCCc1ccc(-c2nnc(-c3ccccc3Cl)n2C)cc1 29043250 SFHLSDXXFQLUTR-UHFFFAOYSA-N 339.870 5.535 0 1 EKAF CCOc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2=O 49807359 NCLFAXCWLHCFCE-GMAHTHKFSA-N 344.410 5.186 0 1 EKAF Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(O)c(C)c3)s2)c1 299831678 FHWDXZZQVMZMIV-UHFFFAOYSA-N 337.444 5.014 0 1 EKAF CCc1nc2ccc(O)c3c2c(c1[C@H](C)CC)-c1ccccc1C3=O 586992089 UGGAUEXGOOAAOH-GFCCVEGCSA-N 331.415 5.228 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c12 587022499 XVUIBUHQANDMGV-UHFFFAOYSA-N 348.475 5.063 0 1 EKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4ccncc4[nH]3)o2)c1 587052072 XOMOTCSGCZCSFC-UHFFFAOYSA-N 330.174 5.192 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3)s1)O2 587412465 ZCEYGNXABWULFR-NRFANRHFSA-N 349.455 5.186 0 1 EKAF CCCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520394 ADHPKRHTOAUKKD-OAQYLSRUSA-N 336.431 5.061 0 1 EKAF Cc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1F 587949392 FDDULQQOYFMDDN-VAWYXSNFSA-N 344.389 5.973 0 1 EKAF Cc1nc(-c2ccc(C=C3CCCC3)cc2)sc1-c1ccnc(N)n1 653826108 VYVIOMQWWDJCTO-UHFFFAOYSA-N 348.475 5.115 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(c3cccnc3)=NO2)cc1 1857749460 HKIFUTBPMILLBO-HXUWFJFHSA-N 339.398 5.096 0 1 EKAF C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccccc1 13218780 CECIKOFNEZAOAI-UHFFFAOYSA-N 349.437 5.791 0 3 EKAF COc1ccccc1Cc1c(C2CCCCC2)nc2ccc(C)cn12 72103045 RLUBDGBLOPBNLZ-UHFFFAOYSA-N 334.463 5.290 0 3 EKAF Nc1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 35259921 FFYPIAWDEMJSQC-UHFFFAOYSA-N 348.446 5.300 0 1 EKAF CCC(CC)Cn1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 43063062 DQJLUQWPCRBPIY-UHFFFAOYSA-N 347.890 5.002 0 1 EKAF Cc1cc(O[C@H](Cc2ccccc2)C(=O)O)cc(C)c1-c1ccccc1 95596115 FDKXDQKPXBSEPK-OAQYLSRUSA-N 346.426 5.045 0 1 EKAF Cc1c(Cl)ccc2nc(CCCCCCCCCCCO)[nH]c12 586894617 OYNUQARUHFURBG-UHFFFAOYSA-N 336.907 5.570 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)cs1 587021884 SSETYWJEXMAZGV-UHFFFAOYSA-N 336.464 5.287 0 1 EKAF O=C1c2ccccc2-c2cc(C3CCC(F)(F)CC3)nc3cccc1c23 587103881 NVTFDYLNTMEEHR-UHFFFAOYSA-N 349.380 5.739 0 1 EKAF Cc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1C 587125859 UPIWFDXYHAQPAA-POHAHGRESA-N 348.393 5.962 0 1 EKAF Cc1cc(F)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587146077 YEJFPXSGGVRKKO-UHFFFAOYSA-N 338.332 5.623 0 1 EKAF Fc1ccc2[nH]c(-c3nc4ccc5c(c4[nH]3)CCCC5)c(Cl)c2c1 587175678 XVOMPEYVDOHMTE-UHFFFAOYSA-N 339.801 5.383 0 1 EKAF C1=CCCCc2nc3cccc4c3c(c2CCCCCCCCC1)CC4 587214982 HFBPJSFYHIKNAX-UHFFFAOYSA-N 347.546 6.889 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C)c(C)c2[nH]1 587239899 AYRHGTVRQBXKTI-UHFFFAOYSA-N 343.430 5.599 0 1 EKAF COc1cccc(-c2cc(C(C)(C)OC)nc3c2oc2ccccc23)c1 587363716 UEISASNARQQEFH-UHFFFAOYSA-N 347.414 5.538 0 1 EKAF CCCC1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587523347 HXWAZIDENKDHLD-AEJJIKPWSA-N 326.480 5.506 0 1 EKAF Cc1cc(Cl)cc2c(Cc3ccc(Cl)cc3)c(C(C)(C)C)[nH]c12 587625000 YLRMHSACFSQEFW-UHFFFAOYSA-N 346.301 6.671 0 1 EKAF FC(F)(F)c1ccccc1-c1nc(-c2cccc(Cl)c2)cs1 587920354 IGIUYDWCDSEXNE-UHFFFAOYSA-N 339.769 6.149 0 1 EKAF CC(C)(C)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922723 XYENZXFKGXNZDF-UHFFFAOYSA-N 329.415 6.053 0 1 EKAF COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956978 XLMFVUMPVPXTTR-KRWDZBQOSA-N 346.405 5.085 0 1 EKAF CC/C(=C\c1nc2cc(OC)c(Cl)cc2[nH]1)c1ccc(C)cc1 587966489 IECWLGFXUSWPSW-UKTHLTGXSA-N 326.827 5.484 0 1 EKAF C[C@H]1C[C@@H](C(=O)Nc2nc3c(Cl)cccc3s2)CC(C)(C)C1 1857775191 IUYCRBYBLXZBLK-WDEREUQCSA-N 336.888 5.351 0 1 EKAF CC(=O)O[C@]12CC=C3C=C(C(C)C)CC[C@@H]3[C@]1(C)CCCC2(C)C 2356410748 QXGOVOYQEWWNSG-BVSLBCMMSA-N 330.512 5.827 0 1 EKAF CC=C(C)C(=O)OCc1c2c(C)cccc2c(OC)c2occ(C)c12 2356558313 ULYFPYZJDAAFDV-UHFFFAOYSA-N 338.403 5.221 0 1 EKAF CCC[C@@H](O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727187 QAGWRXTZANBLKN-GOSISDBHSA-N 336.435 5.129 0 1 EKAF COCC[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640895 RKRKYGRCYRXULL-RJQCYMMPSA-N 334.500 5.057 0 1 EKAF C[C@@H](Cc1ccccc1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28124276 JFCKACVLYQVVKW-OFAXGOBFSA-N 340.470 5.350 0 1 EKAF C[C@H](Nc1cncc(NCCc2ccc(F)cc2)c1)c1ccccc1 28360128 MXLZYJMFANQLHO-INIZCTEOSA-N 335.426 5.048 0 1 EKAF Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 36221547 BBBYVYIYJFRBCC-UHFFFAOYSA-N 342.502 5.847 0 1 EKAF COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)on2)cc1 64504174 SHBFWJAIYSNCDV-RVPDKONISA-N 333.387 5.033 0 1 EKAF c1ccc2c(-c3cc4ccc(NCC5CCCCC5)cc4[nH]3)n[nH]c2c1 66075381 OXPPLDJLXXLJRX-UHFFFAOYSA-N 344.462 5.703 0 1 EKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccccc2)s1 82163238 CCLVNJFHPCOUHA-CYBMUJFWSA-N 338.480 5.040 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CC)C[C@H]21 141467047 UVOVZMNNIFECMK-ZWKOTPCHSA-N 328.496 6.126 0 1 EKAF C[C@@H]1C[C@@H](C(F)(F)F)c2c([nH]c3cc(Cl)c(Cl)cc23)[C@H]1O 261099815 GBUNMTKFVRTLSV-MBYUQIQQSA-N 338.156 5.194 0 1 EKAF c1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299833712 WAGLSQSNDMHTEH-UHFFFAOYSA-N 336.398 5.522 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3cccc(O)c3)n2)cc1 473135245 MWWOUIBYXTXLHQ-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF Oc1cccc(-c2cc(-c3ccncc3)c3c(n2)-c2ccccc2C3)c1 473249930 ZNTULFKKZGBPRN-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF COc1cccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c12 586881066 RXDRFLLIFRBJST-UHFFFAOYSA-N 342.398 5.108 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@H]4C)-c1ccccc1C2=O 587100917 QAHNSAATEHCYNN-CQSZACIVSA-N 347.417 5.887 0 1 EKAF CCCCc1c(C(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587107454 SXQNFKGCYZBGJB-UHFFFAOYSA-N 343.470 6.086 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C1CCCC1)C3 587207966 PBTMWCFEGSFLLQ-HNNXBMFYSA-N 339.438 5.351 0 1 EKAF CCCCCCc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587408637 CSAZNCKTIIJARS-SFHVURJKSA-N 343.492 5.468 0 1 EKAF CC(C)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524621 LQPYFEDSWDZYMQ-JOCHJYFZSA-N 334.459 5.470 0 1 EKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccn1 587627668 HSSTXTRGIMVCRP-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(F)c(F)cc1Cl 963221854 AYWVGWYVTLTFAX-RBZFPXEDSA-N 349.852 5.538 0 1 EKAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CC=Cc1ccoc1 2356508215 SIXUXMXDQFOIKA-NRFANRHFSA-N 326.436 5.552 0 1 EKAF CC1=CCC[C@@]2(C)[C@@](C)(Cc3cc(O)ccc3O)[C@@H](C)CC[C@]12C 2356509551 TXJPJZWNYUQWCP-HAFPXEGZSA-N 328.496 5.829 0 1 EKAF CC(=O)OCC=C(C)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356571632 XAYGDGVRGSNBDV-FVTFTPSCSA-N 332.528 6.075 0 1 EKAF CC(C)=CCC/C(=C\CC/C(C)=C/Cc1cc(O)ccc1O)C(=O)O 14824666 GUUYAYWHUNNGTK-ZIFCOWSCSA-N 344.451 5.124 0 1 EKAF Oc1ccc(/C(=C(/c2ccc(O)cc2)C(F)(F)F)C(F)(F)F)cc1 25965304 GTONMJMXHVMVIJ-BUHFOSPRSA-N 348.242 5.133 0 1 EKAF CC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 26669478 WRYKYJFUCUGATQ-UHFFFAOYSA-N 330.453 5.201 0 1 EKAF FC(F)(F)c1ccc([C@H](c2ccc(Cl)cc2)n2ccnc2)cc1 27425095 JFNNJJCONRRYES-MRXNPFEDSA-N 336.744 5.193 0 1 EKAF c1ccc(CCCCCCSc2ncc(-c3ccccn3)o2)cc1 28353068 CJDVPGAHJKRTLK-UHFFFAOYSA-N 338.476 5.632 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C(=O)O)C(C)(C)CCC1 28648301 CWAIPBKZSWRXCS-SNVHKSNESA-N 326.480 6.159 0 1 EKAF CCCCCC[C@@H]1CC[C@H](OCCCCCC[n+]2ccccc2)O1 29315763 PLOBJHMUEHCYHY-NHCUHLMSSA-N 334.524 5.027 0 1 EKAF CC/C=C/C/C=C/CC/C=C/CC/C=C/CCCCCCC(=O)O 33820322 SGTUDMPUJCDZHD-RDQFZKTJSA-N 332.528 6.997 0 1 EKAF Cc1csc(C2=NN[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 103213690 KNOQLVAZKMXONW-OAHLLOKOSA-N 341.867 5.005 0 1 EKAF FC1(F)CCC(C(C[C@H]2CCCCN2)C2CCC(F)(F)CC2)CC1 220320649 ODZQWWGZCHXVIV-MRXNPFEDSA-N 349.456 5.786 0 1 EKAF FC(F)(F)c1ccc(-c2csc3nc(-c4ccccc4)cn23)cc1 299819410 CPEBSUWBJXLECG-UHFFFAOYSA-N 344.361 5.749 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587151210 WOXOZBUHRMHXMH-IBGZPJMESA-N 349.384 5.351 0 1 EKAF Cc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587207751 UQBAIGHGGHAYBW-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc2cccc3c2c1CC3 587210175 IDLDMCRLTLLKGK-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccccc1)O2 587402531 FAGCFWRDRQHFMQ-OAQYLSRUSA-N 345.398 5.076 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCCCC1)(C(C)(C)C)O2 587403689 PRDKVTMQFQLHAT-NRFANRHFSA-N 329.484 5.298 0 1 EKAF O=C1C[C@@]2(CCc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587498260 DQFYGEWLDDGQNM-OAQYLSRUSA-N 338.834 5.026 0 1 EKAF CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587517003 ZATQQXUDLJPUIQ-QFIPXVFZSA-N 345.442 5.247 0 1 EKAF CC/C=C\CCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527456 WHYMIIXLGGKMDC-JXCVUKRWSA-N 326.480 5.816 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c2c1 587640273 GSIZWCJORACKKN-LBPRGKRZSA-N 333.809 6.637 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cccc(C(F)(F)F)c3)c2c1 587643841 XJSKILUMTCHPGR-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF C/C(=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCCC1 587968081 ORFJBUKLZUGHLF-PKNBQFBNSA-N 340.414 6.158 0 1 EKAF CN(C/C=C/c1ccc2ccccc2c1)Cc1cccc2ccoc12 653875504 BIVGCUMWVFJNLM-AATRIKPKSA-N 327.427 5.731 0 1 EKAF CCCCCC1([C@@]2(C)NCCc3c2sc(C)c3C)CCC(=O)CC1 963011636 HBIAMGCOBWIAQZ-FQEVSTJZSA-N 347.568 5.436 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCc1ccc(Cl)cc1C2 963225584 FLTIZOXLBJSDGO-AOMKIAJQSA-N 339.910 5.381 0 1 EKAF FC(F)(F)c1ccc2[nH]c(-c3ccc4ccc(Cl)cc4n3)nc2c1 1772617841 NITKZVJJMHXIFQ-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF CC(=O)c1cc(-c2ccc(F)cc2)cc2cc(-c3ccc(F)cc3)[nH]c12 1857582407 WQQAUEAMGJQCEX-UHFFFAOYSA-N 347.364 5.983 0 1 EKAF CC(C)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857640702 ZLSISSXLGDAXHC-KRWDZBQOSA-N 342.895 5.345 0 1 EKAF CC(C)=CCC[C@]1(C)CCc2c(c(C)cc3c2[nH]c2ccccc23)O1 2356499386 CSFJTYGHPYESEQ-HSZRJFAPSA-N 333.475 6.460 0 1 EKAF CO[C@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCOC1 13725363 PQHZACGNAJDVHO-HSZRJFAPSA-N 348.442 5.071 0 1 EKAF c1ccc(-c2ccc(-c3c[nH]c(CCCC4CCCCC4)n3)cc2)cc1 27109013 PPZOEJFEHZJIHU-UHFFFAOYSA-N 344.502 6.647 0 1 EKAF CC(C)c1ccc([C@@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 43025228 BYXYVCMRTACHGF-SFHVURJKSA-N 327.880 6.334 0 1 EKAF O=C(/C=C/C1=C(c2ccccc2)c2ccccc2CC1)N1CCCCC1 64504079 VZRZHYUFLZINDE-FOCLMDBBSA-N 343.470 5.003 0 1 EKAF Clc1ccccc1-c1nc(CNCc2cccc3ccccc23)co1 72102022 MSHUSCRKXFPUNR-UHFFFAOYSA-N 348.833 5.438 0 1 EKAF C/C=C(/C=C/C=C/C=C(C)\C=C1/CCCC(CC)=C1C(C)C)C(=O)O 95554261 KRRKCGFSBZNROB-YRHBRCDZSA-N 340.507 6.549 0 1 EKAF c1ccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccsc2CC3)cc1 207194867 MAHNXTHVCQXSKY-UHFFFAOYSA-N 340.451 5.638 0 1 EKAF Clc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 299852111 NMBAKNSXUASOOK-UHFFFAOYSA-N 338.823 5.150 0 1 EKAF c1ccc(Oc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1 587031301 CSICYFMSTMRJRM-UHFFFAOYSA-N 348.427 5.156 0 1 EKAF C[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccccc1C(F)(F)F 587098664 RQJHFLIYQNALPD-LLVKDONJSA-N 347.384 5.426 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(OC(C)C)cc2[nH]1 587156010 QLFGKYHIARQJLW-QGZVFWFLSA-N 328.387 5.019 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C1CCCCC1)(C1CC1)CC2=O 587487622 FUSNVZCFQIPIEK-NRFANRHFSA-N 328.452 5.039 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c(-c3ccccc3)c2c1 587642264 KUXUUAHSTKPALD-INIZCTEOSA-N 340.470 6.598 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587968827 UUHNYGQAMIEJOK-VKAVYKQESA-N 344.458 5.944 0 1 EKAF Fc1ccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)cc1 653808390 NMXVPVUFOWVHPP-ACCUITESSA-N 348.402 5.775 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@@H](OC(C)C)c2ccccc2)N1 962944297 HNQLXJMEFRXYAG-VSDWSMLSSA-N 348.490 5.300 0 1 EKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356629310 ZLSUFAROARWHAD-IDZYALCFSA-N 344.495 5.554 0 1 EKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 5974746 DDOGGMRPOOHGHD-FQEVSTJZSA-N 333.822 5.169 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2OC 13302659 KEQVPNIOSICVBG-JKSBSHDWSA-N 346.511 5.699 0 1 EKAF biogenic,in-vitro CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 13761300 FMPUWHUXNOPVQS-JKWVGCSGSA-N 341.882 5.071 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]12 14410670 XWVGMPJQSWKTJV-FSSWDIPSSA-N 344.495 5.089 0 1 EKAF biogenic CCCCCn1c(C)c(C(=O)Cc2ccc(F)cc2)c2ccccc21 28468969 FUWNDRXBZLYFPS-UHFFFAOYSA-N 337.438 5.704 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCCP(=O)(O)O 29552520 AEYSUBKSILBNEA-CBXDKUCNSA-N 328.433 5.754 0 1 EKAF CC(=O)CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45315752 RRANDYHKXBZJMN-UHFFFAOYSA-N 339.479 5.266 0 1 EKAF COc1cc2c(cc1[C@H](C)OCCc1ccccc1)C=CC(C)(C)O2 96932028 KLUUOMBAHLAWDD-INIZCTEOSA-N 338.447 5.200 0 1 EKAF C[C@H](N=O)[C@@H]1CC=C2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 261141618 NEBOMMQPPZFFBC-BCZXPRDHSA-N 329.484 5.001 0 1 EKAF Cc1nccc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 587048761 FHQZWZMNGFSYMT-UHFFFAOYSA-N 347.805 5.066 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H]1C[C@@H](C4)C1(C)C)-c1ccccc1C2=O 587100306 GERLERVPWYESDP-FZKQIMNGSA-N 339.438 5.440 0 1 EKAF Cc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Cl 587170618 RNWVEYJEOQQYPD-LLVKDONJSA-N 334.847 5.560 0 1 EKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)nc2cccc3c2c1CC3 587210693 VXNAXWAYUIJIFZ-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF Clc1ccc(-c2ncc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587361217 SLELRMDRPNVABZ-UHFFFAOYSA-N 348.858 5.777 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)C)C3)c1 587367862 YRKSXMBAGNSDDL-KRWDZBQOSA-N 343.426 5.952 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccccc3)c1)O2 587403409 LVEADJQBKCULDF-NRFANRHFSA-N 345.398 5.076 0 1 EKAF O=C1C[C@@H](c2cc(Cl)c(F)cc2F)Oc2c1ccc1c2CCCC1 587506842 PZCWJFIBYSNYJQ-SFHVURJKSA-N 348.776 5.204 0 1 EKAF CSc1ccc(-c2csc(Cc3ccccc3Cl)n2)cc1 587925276 QQXVRVVBAMFDFT-UHFFFAOYSA-N 331.893 5.776 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587926322 XCXDOSJRFVYTAP-UHFFFAOYSA-N 327.474 5.598 0 1 EKAF Cc1cnc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587954806 CKWHEXSMQPNIEP-KRWDZBQOSA-N 347.849 5.294 0 1 EKAF COc1cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1C 2356334952 QIMOHLBPZKFSBJ-UHFFFAOYSA-N 342.523 6.671 0 1 EKAF CC(=O)O[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 2356654923 QFTDFAVFSULANQ-ARXXEPJESA-N 336.516 5.120 0 1 EKAF COc1cccc2ccc(-c3ccc4cccc(OC)c4c3O)c(O)c12 13377014 VCBDQZVZKRLTPA-UHFFFAOYSA-N 346.382 5.088 0 1 EKAF biogenic CO[C@@H]1CCC2=C(C[C@@H]3C([C@@H](C)CCC=C(C)C)=CC[C@@]3(C)O2)C1=O 14825226 SCZSSESJVCCONT-GDUHTRTMSA-N 344.495 5.126 0 1 EKAF biogenic Cc1cc([C@H](c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 28246665 KAEVFPPLIPHQPG-HXUWFJFHSA-N 328.525 5.049 0 1 EKAF CCCCC/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)OCC 34249998 SAMZIIYZCOLQTD-MMOJFAIYSA-N 348.527 5.666 0 1 EKAF CN1C(c2ccccc2)=Nc2ccccc2C[C@H]1c1ccc(F)cc1 49616180 FJFBHWSSMKSEGM-NRFANRHFSA-N 330.406 5.133 0 1 EKAF COc1cccc2cc(C(=O)c3ccc(Cl)cc3)c(=S)oc12 49803681 BYRLGWGZRFNUPF-UHFFFAOYSA-N 330.792 5.055 0 1 EKAF CC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO 73295315 NCTONOXJZGFRGY-UHFFFAOYSA-N 332.487 6.420 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)Oc2ccc(-c3ccccc3)cc2)c1 84742306 PMSONNCQMRASIR-UHFFFAOYSA-N 345.442 6.396 0 1 EKAF FC(F)(Cl)[C@@](F)(Cl)CCSc1nc2ccccc2s1 299863503 PFWBCMJDQQTGOD-SNVBAGLBSA-N 346.226 5.515 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)cc1 586881085 SEMANLNBXPSPMQ-UHFFFAOYSA-N 340.426 5.716 0 1 EKAF Cc1cc(C)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587083680 GBSHNBDSIQCSBC-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF FC(F)(F)c1ccc([C@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587210659 UUYCWMDMXMFBBS-OAHLLOKOSA-N 339.360 5.430 0 1 EKAF Cc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1F 587242229 KCNZTWYMLTWDOV-UHFFFAOYSA-N 333.366 5.127 0 1 EKAF O=C1C[C@@H]([C@@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587521957 DSFNKJXIRNUKEG-KNQAVFIVSA-N 332.443 5.019 0 1 EKAF O=C1C[C@](CC2CCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587523253 KKJOSZUDCMHRBG-XMMPIXPASA-N 346.470 5.616 0 1 EKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)cc1 587635049 ZDGIAFLMIUZMCH-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CCCC/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815543 NNRLIRDBADIKRG-LFWGUVDQSA-N 340.280 5.084 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772571664 QIZMKKCGLBWKJQ-OVKSEWBZSA-N 347.502 5.009 0 1 EKAF COc1ccc(CN2c3ccccc3Sc3ccccc32)c(F)c1 1772587116 POKNTKJVOVUUJA-UHFFFAOYSA-N 337.419 5.637 0 1 EKAF Fc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1 1857535063 PTKYOSKHWDDURT-UHFFFAOYSA-N 334.375 5.615 0 1 EKAF CCO[P@@](=O)(Oc1ccc(Cl)cc1)C(=O)Oc1ccccc1 3653684 DULOPIOHIVOMNX-JOCHJYFZSA-N 340.699 5.147 0 1 EKAF Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3cccnc3)nc2c1 28007864 XBLZSUJVDGECCV-SFHVURJKSA-N 335.451 5.655 0 1 EKAF O=C(OC1CCCCC1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957307 ODQZUOPUJDCECI-UHFFFAOYSA-N 339.262 5.807 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1CC(C)(C)C)-c1ccccc1C3=O 587099500 LGJNPELKEAFKKP-UHFFFAOYSA-N 329.443 5.652 0 1 EKAF CC(C)Oc1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250964 UWZMNFNMRZHDOP-UHFFFAOYSA-N 343.430 5.266 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3)cc1)O2 587404574 XWBVSZCCCFOJLN-NRFANRHFSA-N 345.398 5.076 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccco1)CC2=O 587476552 CUMVEZSYJSIIQV-OAQYLSRUSA-N 348.398 5.311 0 1 EKAF COc1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950725 UGOZFYJTWAJJCW-PFONDFGASA-N 342.398 5.534 0 1 EKAF CC(C)C[C@]1(C(C)C)c2ccsc2CCN1Cc1cccnc1 962998071 NWAWHIRFIJXCLV-FQEVSTJZSA-N 328.525 5.099 0 1 EKAF CCC[C@H](C)C[C@H](C)C[C@H](C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356565702 IPVYZLACGWVYRC-KKUMJFAQSA-N 334.500 5.854 0 1 EKAF Cc1cccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc12 1909673 SPZKICCPHDFFGX-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)o2)cc1 13558577 MKJVDYWHASOSHN-UHFFFAOYSA-N 328.367 5.692 0 1 EKAF Cc1ccc(C(=O)[C@@H]2C=C(c3ccc(C)cc3)S[C@@H]3C=CC[C@@H]32)cc1 17252447 UZPMSCYFVVIUEA-NJDAHSKKSA-N 346.495 5.835 0 1 EKAF C1=CCN(C2(c3cccc(OCc4ccccc4)c3)CCCCC2)CC1 26282221 PRAIJMWHKOVTIE-UHFFFAOYSA-N 347.502 5.687 0 1 EKAF CC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1 28568127 UYDKZSOZIDJSJS-QTGUNEKASA-N 337.507 5.013 0 1 EKAF CCOC(=O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 29203903 ACIRYVXBTYLTSG-UHFFFAOYSA-N 331.415 5.142 0 1 EKAF Clc1ccc(-c2cc(-c3cccnc3)nc(-c3ccsc3)c2)o1 45371245 LPKBXYOFZYDQRO-UHFFFAOYSA-N 338.819 5.786 0 1 EKAF Clc1ccccc1-c1ccc2cc(Nc3ncccn3)ncc2c1 144336000 AHYCCXUHFBQPPW-UHFFFAOYSA-N 332.794 5.089 0 1 EKAF C[C@H](NCc1cc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 200339513 BVBYQIRTNZSZEM-KRWDZBQOSA-N 326.443 5.686 0 1 EKAF COc1ccccc1Nc1nc(C2C3CC4CC(C3)CC2C4)cs1 299824793 XFWPZDAQVRGBLV-UHFFFAOYSA-N 340.492 5.435 0 1 EKAF CCCCc1c(CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990346 BOBQLACIHZXNFO-UHFFFAOYSA-N 331.415 5.057 0 1 EKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)cccc4[nH]3)c21 587030683 JCFJEMGJAOBXBA-GFCCVEGCSA-N 349.459 5.228 0 1 EKAF CC(C)Oc1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587099176 YLJDRESGUGAEEQ-GFCCVEGCSA-N 348.368 5.521 0 1 EKAF CCc1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144638 BHQIUYWGZSLICT-UHFFFAOYSA-N 334.369 5.738 0 1 EKAF Cc1c(F)ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150430 POUIAQOKKKTOQI-HXUWFJFHSA-N 349.384 5.351 0 1 EKAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1-c1ccccc1 587214476 QOXSNPNJRBZPEX-UHFFFAOYSA-N 337.422 5.676 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@@H]1C(C)C 587480400 JWGGWKZNOXMLBD-ZVGUJKQYSA-N 330.468 5.141 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(C13CCC(CC1)CC3)CC2=O 587490724 UJSKQVWXFPRNDM-RDCFFDHZSA-N 328.452 5.039 0 1 EKAF CC1=C(C)O[C@@](C)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587530524 CWDQHLSXYFQVAN-YADHBBJMSA-N 340.463 5.152 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)OC)c2c1 587642821 WDFALFRWHNTZHF-LBPRGKRZSA-N 341.838 5.788 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCc4ccoc4[C@]3(C)CC[C@H]2C1(C)C 2356792320 JOYRCQCBPRRDFA-DLWHVABMSA-N 344.495 5.268 0 1 EKAF Cc1ccc2c(NC(=O)C[C@@H](C)c3ccccc3)c(Cl)ccc2n1 6745268 XIPYHTSEWHVJKV-CYBMUJFWSA-N 338.838 5.329 0 1 EKAF CC(C)c1cc2c(cc1Cl)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC2 14410992 LRHCLIUTYPHWLV-IHPCNDPISA-N 334.887 5.558 0 1 EKAF biogenic CC(C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3)cc2s1 29041774 GRXSGJRDNFZOCC-UHFFFAOYSA-N 334.448 5.174 0 1 EKAF Cc1c(C)c(CCc2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O 33832611 WWQHGOVPEGRHPG-UHFFFAOYSA-N 326.480 5.350 0 1 EKAF biogenic,in-vitro C/C(=C\[C@H]1C[C@@H](CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 34582230 OIYBDVCLZOMQSJ-PZBSJLNOSA-N 342.435 5.096 0 1 EKAF c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 36221507 PMTRYEMIYDPQRC-UHFFFAOYSA-N 325.500 5.103 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NC 38146771 JOBBYDDNTZTZMO-FFTKBTNWSA-N 332.532 5.671 0 1 EKAF CC[C@@H]1CCCCN1c1cc(Oc2cccc3ccccc23)ncn1 82067409 OSSYNEHJTKWINT-QGZVFWFLSA-N 333.435 5.191 0 1 EKAF O=C(c1cccc2ccccc12)c1c(C2CC2)oc2cccc(O)c12 96922072 AREVVFRAWJUEKR-UHFFFAOYSA-N 328.367 5.400 0 1 EKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(C(C)(C)C)no2)N3C)cc1 195290966 OEUNHOYSAHYKJP-IKVWTGGYSA-N 338.495 5.014 0 1 EKAF Cc1c(F)ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c12 586897118 XSZPJBYNQARNQL-UHFFFAOYSA-N 326.415 5.630 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4CC[C@@H]3C4)nc3cccc1c23 587208201 RKFPAOXPOJCWOF-PMUMKWKESA-N 325.411 5.350 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C(C)C)(C1CCCCC1)CC2=O 587488258 IPNXUXMECVGDCK-OAQYLSRUSA-N 330.468 5.285 0 1 EKAF CCn1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587516936 XTODCOOBKPVIPY-JOCHJYFZSA-N 345.442 5.247 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cc(C)cc3C)c2c1 587641449 FYXOLQAVUKATHW-AWEZNQCLSA-N 348.490 6.167 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4ccccc4)cs3)n1)O2 587876896 WLFUANNIGGMKKF-UHFFFAOYSA-N 335.363 4.908 0 1 EKAF CC[C@]1(c2c(Cl)cccc2Cl)NCCc2c1sc(C)c2C 963023015 KXPNBSGPYNTQNC-QGZVFWFLSA-N 340.319 5.471 0 1 EKAF CC[C@H](C)c1ccc(NC(=N)Nc2ccc3c4c(cccc24)CC3)cc1 13780924 RCHSAAXITZQQRT-HNNXBMFYSA-N 343.474 5.911 0 1 EKAF C[C@@H](C(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978934 DGXOKRHYBTVBFD-MRXNPFEDSA-N 347.414 5.279 0 1 EKAF N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3)cc2c1 43072625 DCWFCQVHVIVKIS-UHFFFAOYSA-N 345.833 5.439 0 1 EKAF CCCN1CC[C@@H](CCCc2ccnc3ccc(O)cc23)[C@@H](CC)C1 45189332 RHLBGXZVWZZWSC-ZWKOTPCHSA-N 340.511 5.021 0 1 EKAF C=C(Br)/C(=C\Cl)CCC(Br)=C(C)C 140103013 XRSOAZAPIYLVSV-TWGQIWQCSA-N 328.475 5.487 0 1 EKAF CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC2)O1 238774223 KYCQOTHEQWKLOW-CTOYRMGLSA-N 346.555 6.107 0 1 EKAF Clc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2c(Cl)n1 587028665 ZHOAXMGCDAYLDH-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1cnc2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 587073714 KLKRJHTWUMVIJX-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF CCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205842 GEOMRSVXLSCXOC-UHFFFAOYSA-N 335.406 5.676 0 1 EKAF O=C1C[C@]2(CCC[C@@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587521450 CBXWMCINSSXBRD-DVECYGJZSA-N 346.470 5.312 0 1 EKAF CC(C)c1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Cl)cc1 587627735 BDZXHTQDTUFRNJ-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(CN(C)C(=O)OC(C)(C)C)c2c1 587640571 BBKNFXJIPFPAAQ-ZDUSSCGKSA-N 330.472 5.357 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(C)=O)cc4[nH]3)ccc2c1 587934267 HUJZWADSTVIRJZ-CYBMUJFWSA-N 344.414 5.079 0 1 EKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2ccccc2)n1 1772601333 GXSDPHHYBMHOTD-UHFFFAOYSA-N 336.391 5.580 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/CN)C(C)(C)CC[C@H]1O 1857606917 AAUCQQJFPASRLF-PZJPOLFKSA-N 327.512 5.004 0 1 EKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356478195 VNTGXCRNEJTLEX-NQNIXMJNSA-N 343.555 5.085 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccccc2)cc1O 2356702872 YPGQBVBJFQCVKA-UHFFFAOYSA-N 348.486 6.503 0 1 EKAF CN(Cc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc12 4268344 JSYSWFKXVQLRJR-UHFFFAOYSA-N 349.821 5.180 0 1 EKAF Cc1ccc2c(c1)[C@H](SCCN1CCCCC1)c1ccccc1O2 25967354 KEFYIKFDKAXRHH-OAQYLSRUSA-N 339.504 5.409 0 1 EKAF CCC(CC)CCCCCCCOC(=O)CCCCCNC(=O)O 29041674 BSHMQUHCVKRHKY-UHFFFAOYSA-N 343.508 5.134 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3ccccc3)cccc21 143326729 IGTFWUFOBIZASQ-LJQANCHMSA-N 326.317 5.132 0 1 EKAF COc1cc(C)c(C/C=C(\C)CCC=C(C)C)c(O)c1CC=C(C)C 238783579 GVAKGCSJYZTJHE-LDADJPATSA-N 342.523 6.453 0 1 EKAF CCC[C@H](C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991356 JNIWCQMNFOVOCU-LBPRGKRZSA-N 331.415 5.364 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccccc2[nH]1 587014493 MDHZSIRGMDGQIA-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Clc1cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2cn1 587084923 KNYKSJHPJMXAMC-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF CC[C@@H](C)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208391 VERHBBYHVLNZNL-ZIAGYGMSSA-N 327.427 5.522 0 1 EKAF Cc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587525454 NIAMBFJFNRVMKU-NRFANRHFSA-N 331.415 5.062 0 1 EKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2cccnc2)cc1 587625439 IOGZQOPNODKXSJ-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Cc1[nH]c2cc(F)ccc2c1-c1ccc(Cl)cc1Br 587633032 WTIUDUMEAHEWHK-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3cccc(NC(C)=O)c3)c2c1 587643316 SYVHZINBRJPCEE-ZDUSSCGKSA-N 348.446 5.179 0 1 EKAF O=C(O)[C@H]1C[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 1857589222 ICHZIOIWUBMYFR-WVSHTKLVSA-N 334.202 5.137 0 1 EKAF COC(=O)C[C@]1(C)C[C@@H]2C3=C(CC[C@H](C)[C@@]2(C)O1)C(C)(C)CCC3 2356406059 LWWWPWARMZZQBS-QUUBWDHISA-N 334.500 5.040 0 1 EKAF COc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1 74386932 CJIYNGIGORTMEJ-UHFFFAOYSA-N 333.366 5.121 0 3 EKAF CCOC(=O)c1ccc(/C=C(C)\C=C\C2=C(C)CCCC2(C)C)s1 28756190 PXVBTZKLLWIINF-VDRCGHCRSA-N 344.520 6.411 0 1 EKAF Cc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40862239 RZZQWNYDNUYYFB-LJQANCHMSA-N 326.827 5.055 0 1 EKAF CCC/C=C\CC/C=C\C=C/CC/C=C\C=C/C(=O)NCC(C)C 238785708 DSXKRJBQUCPJOW-PWWFKKQPSA-N 329.528 5.900 0 1 EKAF c1cc(-c2ccsc2)cc(-c2nc3cnc4ccccc4c3[nH]2)c1 587027647 YSFXBBOOKJUERK-UHFFFAOYSA-N 327.412 5.507 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N 587103005 CKUYNCFKFDEWQW-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(Cl)c2[nH]1 587114921 ZKQNZXIYCWMHPL-JTQLQIEISA-N 338.760 5.581 0 1 EKAF Cc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587149216 IGXDLXCKYZFBMX-HXUWFJFHSA-N 349.384 5.351 0 1 EKAF CC(C)[C@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208181 QYATWYQKFUATAJ-LSDHHAIUSA-N 341.454 6.083 0 1 EKAF Fc1c(CCC(F)(F)F)cccc1-c1cc2c3c(cccc3n1)CC2 587210381 QNTANEYRFPBWAY-UHFFFAOYSA-N 345.339 5.634 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)o3)c(C(=O)C(F)(F)F)c2c1 587640805 JJBOQPNUULTYSW-SNVBAGLBSA-N 349.352 5.995 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3ccccc3cc2[nH]1 587950628 DOGOSJCXIUMWRQ-HNNXBMFYSA-N 338.410 6.009 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc(C)c2[nH]1 587954602 BOKYGJLZBVBAMU-UHFFFAOYSA-N 343.268 5.268 0 1 EKAF CCOC(=O)c1c(-c2cccc(C)c2)[nH]c2c1cc(O)c1ccccc12 1857766489 WOMXINGDBRDJII-UHFFFAOYSA-N 345.398 5.179 0 1 EKAF CCC=CCC=CC[C@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356604554 ZNEBXONKCYFJAF-NRFANRHFSA-N 344.495 5.520 0 1 EKAF CC[C@H](CC=CCCC(=O)O)CCCCCC[C@@H]1C=C(CO)CC1 2356737385 OQUAFGNAFAEBEL-OALUTQOASA-N 336.516 5.493 0 1 EKAF CC(C)=CCCC(C)=CCC=C1CO[C@H](c2cc(O)ccc2O)C1 2356845920 OITSMBXSRGHZRF-NRFANRHFSA-N 328.452 5.568 0 1 EKAF CC(C)c1ccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)cc1 74372955 BPBRJJMTPYGVPX-UHFFFAOYSA-N 345.421 6.236 0 3 EKAF O=C(c1ccccc1)[C@@](F)(Cc1ccccc1)c1ccc(Cl)cc1 230513795 YDJFKCBYVZPOIB-OAQYLSRUSA-N 338.809 5.630 0 3 EKAF C/C(=C/c1cccc(C(=O)O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C 5132312 FWELAWCPFZMRQA-SSZFMOIBSA-N 348.486 6.294 0 1 EKAF Cc1c2c(cc3c(C(F)(F)F)cc(Cl)nc13)[C@@H](C)CC(C)(C)N2 27415658 JHNZWHOSOLPGTO-QMMMGPOBSA-N 342.792 5.913 0 1 EKAF COc1ccc(-c2cc(CC=C(C)C)ccc2O)cc1CC=C(C)C 84587099 LHLNJFIEJXSFOW-UHFFFAOYSA-N 336.475 6.085 0 1 EKAF CC(C)n1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccccc1 103190197 QITKKMXXROYYGW-HTXNQAPBSA-N 329.856 5.078 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC(C)C 231934330 NARAPOUIUKBGJL-NKXWDUBDSA-N 345.571 6.657 0 1 EKAF C[C@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@]1(C)Cc1c[nH]c2ccccc12 238731112 KKNODFPXRCYCJH-DDFQMXDRSA-N 337.507 5.480 0 1 EKAF Cc1ccc2c3c(c(CC4CCCC4)cnc13)-c1ccccc1C2=O 587100029 DLKQGNZLEIUVRL-UHFFFAOYSA-N 327.427 5.487 0 1 EKAF Cc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C 587125508 REXIXPSZHDUVCE-VMPITWQZSA-N 348.393 5.962 0 1 EKAF CCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 587207953 ZJDXNZFWLRWXFL-UHFFFAOYSA-N 325.367 5.269 0 1 EKAF CC[C@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208219 SIFZXVCLHBYYNR-HSZRJFAPSA-N 327.427 5.351 0 1 EKAF Cc1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1C 587241465 DESREDACXPGFSZ-UHFFFAOYSA-N 335.451 5.221 0 1 EKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587409800 WRCOTFARIBABIY-HSZRJFAPSA-N 349.474 5.027 0 1 EKAF CC(C)(C)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526230 RURDNKMMSLQDIR-KNQAVFIVSA-N 326.480 5.506 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2cc(Cl)c(F)cc12 587630234 WKYBWHRKRUDOJP-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)OC)c2c1 587642818 WDFALFRWHNTZHF-GFCCVEGCSA-N 341.838 5.788 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(O)c2c1 587643859 XSHQFKUMIJPVCC-LLVKDONJSA-N 333.353 6.073 0 1 EKAF C1=Cc2cccc(c2)-c2ccccc2[C@H]2C[C@@H](C[C@H]3CCCCN32)OC1 2356347781 MTRZJAQTFNGSJM-PQNGQFLHSA-N 345.486 5.455 0 1 EKAF CCO[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]23C)C=C1C(C)C 2356466074 SEYOTWWUZJJIRX-PXIKZMAHSA-N 346.511 5.221 0 1 EKAF COc1ncc(-c2c(-c3ccccc3OC)sc3ccccc23)cn1 95570125 ZJQICEMUWIGCKT-UHFFFAOYSA-N 348.427 5.043 0 3 EKAF C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 5132309 NUSIBKZXKHKYDB-PEZBUJJGSA-N 348.486 6.294 0 1 EKAF CCCC/C=C\CCCCCCCc1cc(OC)c(C)c(OC)c1 14593797 HIBFQGJNHAMCHD-HJWRWDBZSA-N 332.528 6.642 0 1 EKAF Cc1c(C)c(CNc2ccccc2)c(C)c(C)c1CNc1ccccc1 28863035 PQFJPYAXFPDZSZ-UHFFFAOYSA-N 344.502 6.144 0 1 EKAF Brc1ccccc1[C@H]1Cc2[nH]c3ccccc3c2S1 43076127 BBNCCPSJBXYPLW-OAHLLOKOSA-N 330.250 5.320 0 1 EKAF C[C@H]1C[C@H](C)CN(c2ccc(-c3cccc(Cl)c3Cl)cn2)C1 45254846 ACCKQVGBHUBTQL-STQMWFEESA-N 335.278 5.538 0 1 EKAF Fc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1 58506672 XVGPSWKSWHIHGW-UHFFFAOYSA-N 330.236 5.985 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CCC1=N2 169722042 HPIKIUCVJUGZSD-RBUKOAKNSA-N 342.801 5.006 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@@H]3[C@@H]1[C@H]2C3(C)C 257400240 CUSONBTUCOAEMV-JYISGYRJSA-N 331.459 5.930 0 1 EKAF endogenous,in-man c1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)nc1 299823605 RJWINFQGJPLMLQ-UHFFFAOYSA-N 326.424 5.443 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2C1 587033217 HJJJIIHNQXJULP-ZETCQYMHSA-N 338.810 5.348 0 1 EKAF Cc1nc2cccc3c2c(c1[C@@H]1C[C@H]2CC[C@H]1C2)-c1ccccc1C3=O 587205542 BYDFLFXLJWHSOA-YZVOILCLSA-N 339.438 5.658 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(C)(C)C)c2c1 587639847 DVPFJSBROLZJIN-JTQLQIEISA-N 325.374 5.929 0 1 EKAF Cc1cc(C)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587955828 QIQQTEOCIMDAJZ-HXUWFJFHSA-N 326.443 5.554 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(F)cc1)C(C)(C)C 963236142 XMYCWHMZNKYKOO-HXOBKFHXSA-N 339.498 5.772 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCN2CCC(C)CC2)cc1 1857538332 UESFTYGAZXOTRU-UHFFFAOYSA-N 345.571 6.045 0 1 EKAF Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2CC(C)C)n1 12448279 QHMQAJKQNLVVLL-NRFANRHFSA-N 333.479 5.017 0 3 EKAF c1ccc(CC2CCN(C[C@H]3CCCc4ccccc4C3)CC2)cc1 13607193 BPMOOEDLDRJAKW-QFIPXVFZSA-N 333.519 5.136 0 1 EKAF COc1cc(Nc2nc(-c3ccccc3)cs2)ccc1-c1cnco1 13860205 FFOZYVABYOGJIU-UHFFFAOYSA-N 349.415 5.217 0 1 EKAF CCCC/C=C\CCCCCCCCCc1cccc(O)c1C(=O)O 14502343 UEOBFNCQTNUCCY-WAYWQWQTSA-N 346.511 6.500 0 1 EKAF Oc1c(Cl)cc(Cl)cc1/C=C/c1ccc(Cl)c(Cl)c1 29559422 DJSMXWVJMAYBIU-HNQUOIGGSA-N 334.029 6.176 0 1 EKAF Sc1nnc(-c2cccc(Oc3ccccc3)c2)n1-c1ccccc1 43009494 GBFDFEAIVADUGM-UHFFFAOYSA-N 345.427 5.015 0 1 EKAF Nc1ncc(-c2ccc3[nH]ccc3c2)c2ccc(-c3ccncc3)cc12 45231216 XXVGIJAMOONLHV-UHFFFAOYSA-N 336.398 5.027 0 1 EKAF CCc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151326 XDNAIFIVXIYJJT-NRFANRHFSA-N 345.421 5.466 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3C1CCCC1 587206039 AGKWDCXWYOLKIA-OAHLLOKOSA-N 339.438 5.666 0 1 EKAF C[C@H]1C[C@@H](C)C[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587208233 STATWWXGVSNCJO-ZSHCYNCHSA-N 341.454 5.986 0 1 EKAF Fc1c(Cc2cnc3cccc4c3c2CC4)cccc1C(F)(F)F 587210887 YFGHRCJZOPLSEY-UHFFFAOYSA-N 331.312 5.082 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CSCC3)c1 587365464 CYWDMYMOURDFGP-UHFFFAOYSA-N 347.439 5.446 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCCCCC2)N1 587824482 XAIRXPKCKWOVLA-PIGZYNQJSA-N 340.280 5.134 0 1 EKAF Cc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)c(C)c1 1772585639 GNIUDUMHUPAJLM-UHFFFAOYSA-N 349.503 5.808 0 1 EKAF COc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)s1 1857539605 PIGGFEWOYSTXAW-UHFFFAOYSA-N 334.396 5.197 0 1 EKAF CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S 1857755030 IIYOCBNZOLLZCM-INIZCTEOSA-N 346.858 5.094 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1[C@@H](C)c1ccccc1 169303124 CWCAIAPSHJFRJK-KRWDZBQOSA-N 334.463 5.511 0 3 EKAF Cc1ccc(Nc2c(Cl)cc(Cl)cc2Cl)c(CC(=O)O)c1 29060110 UZKUKYXDPJBSFW-UHFFFAOYSA-N 344.625 5.326 0 1 EKAF Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1 66079293 BJIZSNKTBYAOCG-NAMDQGSHSA-N 347.502 5.082 0 1 EKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)c4cocc4CC[C@@H]32)C1(C)C 138547539 DUYNKHFSOPGXQD-PAPPXSOASA-N 344.495 5.268 0 1 EKAF C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 169301152 HZJRRCMQPKSHRC-VVDPLQPHSA-N 348.273 5.220 0 1 EKAF CC(C)=CCC/C(C)=C/CNCCOC1C2CC3CC(C2)CC1C3 169347379 WQFPRNRSNLQWLT-REZTVBANSA-N 331.544 5.110 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)cs1 587021962 RNXIWIJIYVXIQM-UHFFFAOYSA-N 349.246 5.297 0 1 EKAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587089375 CBXJOEYLHDQXCW-CQSZACIVSA-N 344.695 5.279 0 1 EKAF Cc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587111987 CJXYFKHQKKAFGE-LLVKDONJSA-N 336.332 5.375 0 1 EKAF FC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCCC1 587131591 PCMGRTIRRCNRON-UHFFFAOYSA-N 331.616 5.108 0 1 EKAF Cc1cc(C)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587163485 JUMZWOYFDAJUCZ-SFQUDFHCSA-N 348.446 5.969 0 1 EKAF CC1=CC[C@@H](c2cnc3cccc4c3c2-c2ccccc2C4=O)C1(C)C 587208783 ZGGSAUIOHDOOEO-IBGZPJMESA-N 339.438 5.906 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(C1CCCCC1)O2 587406186 QPTVHGUOOFXWFK-QHCPKHFHSA-N 349.474 5.104 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1ccccc1)CC2=O 587487644 GAEJGHWEAPIASY-JOCHJYFZSA-N 338.447 5.252 0 1 EKAF CCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812618 JTUKQHATCHEOKX-APPDUMDISA-N 342.296 5.164 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCC2)N1 587819895 WXICKQYCZNGHHY-GFCCVEGCSA-N 340.280 5.062 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587952384 PVJBCAYARGGLJR-FMKPAKJESA-N 329.488 5.302 0 1 EKAF CC[C@@H](C)c1ccc([C@@]2(CC)NCCc3ccc(F)c(C)c32)cc1 962091088 LFICICWAYYZKFA-IVZQSRNASA-N 325.471 5.447 0 1 EKAF Cc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)n(O)c(=O)c1 1772637797 GNNXCXPUJGUUEC-UHFFFAOYSA-N 333.431 5.026 0 1 EKAF c1ccc(CC2CCN(C[C@@H]3CSC4(CCCC4)S3)CC2)cc1 1911578687 AIHHKXSJJYAYND-LJQANCHMSA-N 347.593 5.060 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@@H]2[C@@](C)(O)C1 2356392673 LQNQQEXNXLBURL-AANPDWTMSA-N 348.527 5.188 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@]1(C)C=CC(=O)OC1 2356443564 PDFUYNQQCGLVBA-TUNNFDKTSA-N 336.560 6.545 0 1 EKAF COC(=O)[C@@H]1CCCCCCCCCCC12SCCCS2 5955441 VZODJMCAGIPYGN-HNNXBMFYSA-N 330.559 5.257 0 1 EKAF CN1CCCC[C@H]1CCC1(c2cccs2)SCCCS1 13554203 DHAIVYQTIJWDDX-AWEZNQCLSA-N 327.584 5.036 0 1 EKAF Fc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1 13738850 ZWUNBPHDMGCKGM-LJQANCHMSA-N 347.477 5.799 0 1 EKAF CC1(C)CCC(C)(C)c2cc(Sc3ccc(C(=O)O)cc3)ccc21 13758053 VQSWHITYDQDEMN-UHFFFAOYSA-N 340.488 5.885 0 1 EKAF CCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1 13795739 VEHFIFIDIKSWFI-UHFFFAOYSA-N 343.486 5.112 0 1 EKAF NCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801228 BMSMAYYXXZZRQN-UHFFFAOYSA-N 339.527 5.215 0 1 EKAF CC1CCC(Nc2c(-c3ccc(Cl)cc3)nc3ncccn23)CC1 20996900 RVAAQOZEJLYXNI-UHFFFAOYSA-N 340.858 5.040 0 1 EKAF CN(C)C[C@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 26991820 IOEICCJZXSKQEL-BLECWDKRSA-N 337.551 5.574 0 1 EKAF CC/C=C/C/C=C/C/C=C/CCCCCCCCOC(=O)CCCN 27738508 DOYGIMMUQSNGHB-IUQGRGSQSA-N 349.559 5.858 0 1 EKAF CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O 33822339 MAGPQMMJCMNJQT-UHFFFAOYSA-N 340.548 6.682 0 1 EKAF CC1(C)C[C@](CCNc2cccc(Cl)c2)(c2ccccc2)CCO1 72110094 POOGSHLRUZCCQK-OAQYLSRUSA-N 343.898 5.669 0 1 EKAF C[C@@H]1C[C@@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 72185010 KJSWVLBIPGDZQQ-CZUORRHYSA-N 332.875 5.299 0 1 EKAF Cc1cc(C)n(-c2c(-c3cccs3)[nH]c3ccc(Cl)cc23)n1 96910151 CNUZLNJOVFYDSI-UHFFFAOYSA-N 327.840 5.352 0 1 EKAF Oc1cccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)c1 473248750 QKKUBAPYOVYESO-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586903723 NOJSKDUNWNBIEK-UHFFFAOYSA-N 346.308 5.437 0 1 EKAF Clc1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1Cl 587024697 APHQLKSOIRONLU-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629528 UKDPNTCSKPBPKT-UHFFFAOYSA-N 337.728 5.437 0 1 EKAF CCc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cc1 587633973 RDZKYHVSBSBMOW-UHFFFAOYSA-N 335.300 5.281 0 1 EKAF Oc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949622 JDVGEQWHVDOUGV-BUHFOSPRSA-N 328.371 5.231 0 1 EKAF Clc1ccc2nc(C3CCCCC3)c(Cc3ccsc3)n2c1 72136358 UQQUXXGQOFPQNB-UHFFFAOYSA-N 330.884 5.688 0 3 EKAF Cc1ccc(-c2nc3ccc(C)cn3c2Cc2cccc(F)c2)cc1 95569692 YLQNBLMXQUCOTI-UHFFFAOYSA-N 330.406 5.348 0 3 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCO[P@](=O)(O)C(=O)O 2022734 WRFUTYXFOCGGSP-NCZFFCEISA-N 344.388 5.676 0 1 EKAF CC1=CC(C)(C)Nc2ccc(-c3ccc(Br)s3)cc21 3832318 UCFWDQPOUVOHQR-UHFFFAOYSA-N 334.282 5.785 0 1 EKAF CCCCC/C=C\C[C@H]1S[C@H]1C/C=C\C/C=C\CCCC(=O)O 13587459 ZNCBZKKXWPUKQO-LZXKBWHHSA-N 336.541 6.145 0 1 EKAF Cc1ccc(-c2ccc3occ(-c4cccc([S@](C)=O)c4)c3c2)o1 45288238 WWMZPFWZVJIQDB-XMMPIXPASA-N 336.412 5.406 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21 148882058 AKTNZMGRTJYCJQ-UHFFFAOYSA-N 345.446 5.731 0 1 EKAF CC[C@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 163530496 LZLHAKQPGAYWPM-IBGZPJMESA-N 338.513 5.333 0 1 EKAF Oc1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)cc1 473248404 NRQISRPLVLHXIR-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF CCc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1CC 586879251 KCLDQGYKIQUNSL-UHFFFAOYSA-N 343.268 5.426 0 1 EKAF Cc1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083617 ZXWVLRODWWSTDI-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587148864 DLTZWXVEDXKNIJ-NSHDSACASA-N 330.378 5.279 0 1 EKAF Cc1ccc(NC2(c3nc4cc(F)c(F)c(F)c4[nH]3)CCCC2)cc1 587237187 MFKCQRLLBVREBS-UHFFFAOYSA-N 345.368 5.170 0 1 EKAF C[C@@]1(CCc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500834 DJVCTHUOYRVKDA-JOCHJYFZSA-N 338.422 5.061 0 1 EKAF O=C1C[C@@H](C2(c3ccccc3)CCCC2)Oc2c1ccc1c2CCCC1 587527969 YAPAVEMUHJFESF-QFIPXVFZSA-N 346.470 5.411 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccc(OC(F)F)cc3)c2c1 587641843 KJIJXXFERWQEQB-CYBMUJFWSA-N 343.417 6.182 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587932744 ZDZPBHBREBXRBU-FZKQIMNGSA-N 346.352 5.036 0 1 EKAF Cc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1F 587951206 YEYZYVWDFXBLCO-UHFFFAOYSA-N 332.378 5.394 0 1 EKAF CCCc1ccc([C@@]2(CC)c3ccccc3C[C@H](C)N2CCC)cc1 963235041 FKCJALYMXUBPDE-CYFREDJKSA-N 335.535 5.949 0 1 EKAF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@H]2O1 2356597804 UXORUSKBVACZHJ-ZSXPUABSSA-N 334.500 5.349 0 1 EKAF CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437707 CGERYLIZDURBOY-UHFFFAOYSA-N 329.459 5.579 0 1 EKAF Cc1cccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)n1 38156549 ROXGFQYZOZRHGK-UHFFFAOYSA-N 348.258 5.305 0 1 EKAF CCCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 45194948 LNONLUKVELABEO-HNNXBMFYSA-N 339.479 6.156 0 1 EKAF CC(C)=CCC[C@H]1C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 45338947 UKLOEFBVUZOVRX-INIZCTEOSA-N 333.431 5.856 0 1 EKAF biogenic,in-vitro CCOC(=O)c1ccc(OC[C@H](Cc2ccccc2)CC(C)C)cc1 103180402 IULNUIRKBPGZSM-IBGZPJMESA-N 340.463 5.147 0 1 EKAF O=C(O)CCCCCCCCC[C@H]1C[C@H]2[C@@H]1[C@H]1[C@H]2[C@H]2[C@H]3CC[C@H]3[C@H]21 231930513 LXZYGXNGSMYQAG-CLEBZWPDSA-N 330.512 5.366 0 1 EKAF C1=CCCCCN(CCc2nccc3c2[nH]c2ccccc23)CCCC1 299807090 LUYZVPNPJGYOIP-UHFFFAOYSA-N 347.506 5.471 0 1 EKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587195512 KZMXRQVSQFPFRK-SNVBAGLBSA-N 334.250 5.088 0 1 EKAF Cc1cccc2c1[C@@H](C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522233 FLDCDSUZHCRAFW-NPMXOYFQSA-N 332.443 5.242 0 1 EKAF CC/C=C/CCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527458 WHYMIIXLGGKMDC-WHLIDYPQSA-N 326.480 5.816 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587641239 LONQNHAEGHEDOT-MRVPVSSYSA-N 333.300 5.370 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(Cc3cccc(F)c3)c(COC)c2c1 587641438 IVGMQZFGRXUGPD-AWEZNQCLSA-N 325.427 5.558 0 1 EKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cn1 587922575 QOIGHZRNKXZFIQ-UHFFFAOYSA-N 344.480 5.902 0 1 EKAF CC(C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 14721942 SMZQYMVRMWFMGB-UHFFFAOYSA-N 348.514 5.904 0 1 EKAF biogenic COc1ccc(/C=C\c2cc(OC)c(CC=C(C)C)c(OC)c2)cc1 14819718 FDLKGACURJDMFZ-FPLPWBNLSA-N 338.447 5.392 0 1 EKAF CC1(C)CCC(C)(C)c2cc(CNc3cccc(C(=O)O)c3)ccc21 26397334 FADLZXUXVIQSMQ-UHFFFAOYSA-N 337.463 5.346 0 1 EKAF COc1ccc(-c2ccc(-c3cccnc3)o2)cc1OC1CCCC1 26963991 VBLHEIDYHAANFB-UHFFFAOYSA-N 335.403 5.339 0 1 EKAF CC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C/C/C=C\CCC(=O)O 27643226 LTERDCBCHFKFRI-BWNVAKHWSA-N 344.495 5.520 0 1 EKAF in-man COc1ccc(C(=O)C[C@H](Sc2ccccc2)c2ccccc2)cc1 72112759 NRYQYCBYVGGBHZ-QFIPXVFZSA-N 348.467 5.802 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCC(C)C)cc2)n1 72186635 BFBORBWBTGTGJA-KRWDZBQOSA-N 344.499 5.435 0 1 EKAF COc1cccc(NC[C@@H](F)Cn2c3ccccc3c3ccccc32)c1 96938610 OPNAHJXINFVJAV-MRXNPFEDSA-N 348.421 5.253 0 1 EKAF CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1-c1ccccc1 221354609 UJDGZEPGYJKQPN-SFHVURJKSA-N 337.419 5.065 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(c3cccc(O)c3)=CCC[C@@]21C 299859763 IIURWQSOCMKNOE-LZQXYRQZSA-N 340.551 7.064 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229468 GVAHTIPJQJEPHM-UHFFFAOYSA-N 348.837 5.199 0 1 EKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccccc3[nH]2)c1 587241364 UTCFNXTVSBEDPZ-UHFFFAOYSA-N 328.419 5.173 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Cc1ccc(C(F)(F)F)cc1 587624699 RTCWHNWBWNUJHD-UHFFFAOYSA-N 337.772 6.048 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(C)C)c(-c3ccc(Cl)cc3)c2c1 587639618 AQFIAVSRVVBJGI-CQSZACIVSA-N 325.883 7.125 0 1 EKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)cc1 587859123 BTNQFRQRAVOSIS-UHFFFAOYSA-N 347.245 5.553 0 1 EKAF CC1(C)CCC(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 587963824 UBNJAIXCFUUJGP-UHFFFAOYSA-N 328.353 5.480 0 1 EKAF Brc1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587964772 HQFNBFQELYCNGU-UHFFFAOYSA-N 343.268 5.165 0 1 EKAF CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S 1857646825 IIYOCBNZOLLZCM-MRXNPFEDSA-N 346.858 5.094 0 1 EKAF CC=C1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356322441 FGSFYZNXYHDZKI-RSRKLVJMSA-N 344.539 5.907 0 1 EKAF CCCCCC=CCC=CCC=CC=C[C@@H](O)CCCC(=O)OCC 2356675287 OWKGEPMKWDOLFO-OAQYLSRUSA-N 348.527 5.666 0 1 EKAF CC(=CC=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2356692295 QISFQSCEYMPVBC-JRGCBEDISA-N 326.480 5.650 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCc4ccoc4[C@@]3(C)CC[C@H]2C1(C)C 2356792321 JOYRCQCBPRRDFA-GWUZYQLFSA-N 344.495 5.268 0 1 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCCN1CCCC(C)(C)C1 13678045 SNLOFIRURZRKNV-SFHVURJKSA-N 329.528 5.407 0 1 EKAF C=C[C@]1(C)CC[C@@H]2[C@@H](c3c([nH]c4ccccc34)C2(C)C)[C@@H]1N=C=S 15216299 SKPZPLQBYCKOGH-CUYZEOOHSA-N 336.504 5.616 0 1 EKAF biogenic Cc1ccccc1-n1nccc1-c1ccc2nc(NC(C)C)sc2c1 29041779 ODLHYWWHOLFTGB-UHFFFAOYSA-N 348.475 5.278 0 1 EKAF CCC/C=C/C/C=C/CCCCCCCc1cc(O)c(C)c(O)c1 34139425 IZGYQWUVUWZOPQ-HHWLVVFRSA-N 330.512 6.592 0 1 EKAF biogenic,in-vitro Clc1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1 64491885 RQBNEFDXBOCNBV-UHFFFAOYSA-N 330.174 5.192 0 1 EKAF O=C(Nc1cccc(-c2ccc3c(O)cccc3c2)c1)c1ccccc1 66104454 DCOIVNISIJVLGB-UHFFFAOYSA-N 339.394 5.465 0 1 EKAF Cc1cccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103169651 MOORGNJVLOONSG-UHFFFAOYSA-N 344.336 5.572 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(C)(C)C)nc2[nH]1 587062560 VJJYRFUNYZIKQL-AWEZNQCLSA-N 343.858 5.439 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077159 RRGODBCSHKASQD-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1ccc2c3c(c([C@@H](C)CC(C)(C)C)cnc13)-c1ccccc1C2=O 587099864 WAVCIEXDRITPDX-HNNXBMFYSA-N 343.470 6.294 0 1 EKAF O=C1c2ccccc2-c2cc(Cc3cccc(F)c3)nc3cccc1c23 587102565 ANGGMEKORVVWTO-UHFFFAOYSA-N 339.369 5.176 0 1 EKAF Fc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1F 587113742 YPDHGFNDYUFMOC-UHFFFAOYSA-N 349.262 5.075 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C)c(C)ccc3[nH]1)CC2=O 587483229 LMQAOBXKFAYUIV-OAQYLSRUSA-N 349.430 5.149 0 1 EKAF Cc1cc(Cl)cc2c([C@@H](C)C(=O)O)c(-c3ccc(Cl)cc3)[nH]c12 587624846 UZNFOUUYSUHTHB-SNVBAGLBSA-N 348.229 5.638 0 1 EKAF COc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950722 UGOZFYJTWAJJCW-CCEZHUSRSA-N 342.398 5.534 0 1 EKAF CC1=C2[C@H](/C=C(\C)C(=O)NCCc3ccccc3)CC[C@@H](C)[C@H]2CC1 1772619985 UKJDZGMKCIFXFI-FVALVINRSA-N 337.507 5.064 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 1772638842 ZPWMNJIWPJWUPI-UHFFFAOYSA-N 337.466 6.866 0 1 EKAF COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 5879509 VDOHJVUJWMWXBP-UHFFFAOYSA-N 345.442 5.736 0 1 EKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830358 BUIPSHQTUUBPIM-FGZHOGPDSA-N 344.454 5.968 0 1 EKAF Cc1nc2c(s1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2 25982549 XXWBGEXPZRVOQN-UHFFFAOYSA-N 342.826 5.262 0 1 EKAF Nc1nc(-c2cccc(Cl)c2)cc(-c2cccc3ccccc23)n1 28707210 ZLWVTEVLDWNHDD-UHFFFAOYSA-N 331.806 5.199 0 1 EKAF CN[C@@H]1C[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29487699 YDABULYRFHFFMF-XJKSGUPXSA-N 325.761 5.155 0 1 EKAF CCCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 238787011 GJUNKDKCJGOYBV-XAJGXLQPSA-N 330.512 6.773 0 1 EKAF Fc1c(F)c(F)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1F 587026495 UYVGKAXAAREECO-UHFFFAOYSA-N 348.324 5.515 0 1 EKAF Clc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1Cl 587084481 NOAGAJJOJOQENC-UHFFFAOYSA-N 333.005 5.239 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C)[C@H]4C)-c1ccccc1C2=O 587100400 IVRRZGUKHNFXJO-GXTWGEPZSA-N 327.427 5.440 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)c3ccccc13)CC2=O 587478976 XMNSHILYSYZFAA-OAQYLSRUSA-N 349.430 5.026 0 1 EKAF CCCCCC[C@]1(CCC)CC(=O)c2ccc(O)c(CCC)c2O1 587491294 VWUBFFLCNVNWRP-OAQYLSRUSA-N 332.484 5.819 0 1 EKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587643179 ZKXUQTKINVLFFI-LBPRGKRZSA-N 346.301 7.218 0 1 EKAF CCCCC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814569 UJYQGMRKTFLNNJ-YVEFUNNKSA-N 342.296 5.308 0 1 EKAF CCCC[C@H](CC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818239 HAAZVKXCACVLFN-PRXAMGSTSA-N 342.296 5.380 0 1 EKAF CCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923095 ODJXHCAHOVROEU-UHFFFAOYSA-N 336.435 6.050 0 1 EKAF CC/C(=C/c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(C)cc1 587965952 DZUOXAJXAPXXDW-WQLSENKSSA-N 331.246 6.129 0 1 EKAF CCCC/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587966520 VLBFOEVIWTWHSF-AATRIKPKSA-N 347.178 5.548 0 1 EKAF Fc1cc(F)cc(Oc2ccc3c(-c4ccccc4F)noc3n2)c1 205218360 ZBJIBDNFLYRLCA-UHFFFAOYSA-N 342.276 5.099 0 3 EKAF Oc1cccc(CCCCCCC/C=C\CCCc2ccccc2)c1 14651574 ATOJCJZNFVZOTD-HYXAFXHYSA-N 336.519 6.854 0 1 EKAF CCCc1cc(-c2nc(-c3ccc(NCC4CC4)cc3)cs2)ccn1 72184210 FMHQDMWHNYEVMV-UHFFFAOYSA-N 349.503 5.647 0 1 EKAF CCC1=C[C@@H]2Cc3nc4cc(Cl)cc(Cl)c4c(N)c3[C@@H](C1)C2 100869888 RSDNICWRHUAZOZ-QWRGUYRKSA-N 333.262 5.510 0 1 EKAF Cc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)cc(=O)[nH]2)cc1 103259710 ITHZZPIHRORQMY-UHFFFAOYSA-N 334.419 5.144 0 1 EKAF CCC[C@@H](C(=O)O)c1c(C)nc2sccc2c1-c1ccc(C)cc1 113122618 PKHWDZOUHZKQMX-MRXNPFEDSA-N 339.460 5.548 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cc(OC(C)C)ccc4[nH]3)cc2)o1 586902678 GHNHYNZAGMCMOY-UHFFFAOYSA-N 332.403 5.586 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)s1 587014226 JNFRHHNGVPRUHX-GFCCVEGCSA-N 343.496 5.390 0 1 EKAF Cc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063577 WSMPRBCQAIFTSH-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC1=CC(C)(C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100377 IGXJQOFAPWPKPA-UHFFFAOYSA-N 339.438 5.740 0 1 EKAF FC(F)(F)c1ccc([C@@H]2CCc3nc4cccc5c4c(c32)CC5)cc1 587210075 DDKGWDLRAJIMAP-HNNXBMFYSA-N 339.360 5.430 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCC13CCCCC3)O2 587407708 KGOHBBQMLFZZBP-NRFANRHFSA-N 327.468 5.196 0 1 EKAF Cc1ccc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532314 PKSRSPNAZFYAAS-OAQYLSRUSA-N 340.488 5.452 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(F)c(F)c3[nH]2)cc1 587565095 VWNPBIKMIMVNFC-UHFFFAOYSA-N 330.378 5.108 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cccc(Br)c1 587623846 RYQCSMBHRLQXKD-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF Clc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2c(Cl)n1 587967308 GUYHDXAQGRHVMY-HJWRWDBZSA-N 340.213 5.588 0 1 EKAF C/C(=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCCCC1 587967919 NSJZFZOYTVEYMV-SAPNQHFASA-N 346.474 6.126 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(-c2ccccc2)noc1C 963241221 MSEICVCOVAFENK-QMHKHESXSA-N 346.474 5.396 0 1 EKAF CCCCC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356519329 WSNNRICCQOXNBM-IUSWFGLUSA-N 334.544 5.065 0 1 EKAF CC(C)c1ccc(CN2CC[C@@](C)(Oc3ccc(Cl)cc3)C2)cc1 61930544 UUBFLEHRYOYQFH-OAQYLSRUSA-N 343.898 5.507 0 3 EKAF Cc1ccccc1NC(=O)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019237 AJEVQKYJQBYWFD-YUVVGHDESA-N 349.474 6.050 0 3 EKAF COc1c2c(c(COC(=O)CC(C)C)c3c(C)coc13)[C@@H](C)CC=C2 13300547 SMXQJYKLBKWZEZ-ZDUSSCGKSA-N 342.435 5.360 0 1 EKAF biogenic C1=C(c2ccccc2)CC[C@H](CN2CC=C(c3ccccc3)CC2)C1 13738835 VFSHTRBJQOOJNL-HXUWFJFHSA-N 329.487 5.659 0 1 EKAF CCC[C@H]1CC[C@](CC)(CC(=O)O)c2[nH]c3c(CC)cccc3c21 26279420 LESYMZHLJUQFMH-YCRPNKLZSA-N 327.468 5.530 0 1 EKAF O=C(O)Cc1ccccc1Oc1c(Cl)cc(Cl)cc1Cl 28765999 TVMSVOAATLWZFL-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF Clc1ccc2sc(-c3ccccc3)c/c(=N\c3cccnc3)c2c1 32288438 JIBQHIGKGWXWLC-PTGBLXJZSA-N 348.858 5.849 0 1 EKAF O=C(O)c1sc2ccccc2c1CCCc1cccc2ccccc12 95596895 QDTXDGOGBYEEKV-UHFFFAOYSA-N 346.451 5.928 0 1 EKAF Cc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3C(=O)CC(C)(C)CC3=N2)cc1 169723776 QNUPIBHPMLFNJK-WMZHIEFXSA-N 343.470 5.580 0 1 EKAF FC(F)(F)c1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Cl 587023726 VMYZCKMBQYYACG-UHFFFAOYSA-N 338.141 5.012 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(C)C)(c1ccccc1)O2 587404704 YZLIJZNZXRKRHU-JOCHJYFZSA-N 337.463 5.264 0 1 EKAF Cc1ccc(F)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587509156 XKVYKJDGJSSSON-OAQYLSRUSA-N 342.385 5.033 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3cccc(Cl)c3)c2c1 587639857 FAGSJBFTVJFWIN-LBPRGKRZSA-N 325.839 5.874 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)Br)c(C(C)=O)c2c1 587641622 NPRGYBWFAGGZKC-QMMMGPOBSA-N 344.199 5.328 0 1 EKAF CCCCCn1c(=O)sc2ccc(C(=O)C3C(C)(C)C3(C)C)cc21 1857584433 FORPHPADEAEMRW-UHFFFAOYSA-N 345.508 5.118 0 1 EKAF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@H]2O1)CC 2356386551 MRLHJEHWGDONOP-GWWHBBDRSA-N 348.527 5.739 0 1 EKAF c1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cc1 61923584 PNJRBBBFQJTZIG-UHFFFAOYSA-N 334.422 5.745 0 3 EKAF CCC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 13739853 RLBFCTJFUDQGIX-UHFFFAOYSA-N 347.439 5.362 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@@H](C)C(=O)O 14649198 JQTZSEREVATIFK-VNTMZGSJSA-N 326.565 6.782 0 1 EKAF endogenous,in-man C[C@H](C(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978937 DGXOKRHYBTVBFD-INIZCTEOSA-N 347.414 5.279 0 1 EKAF CCCCC[C@@H](O)c1cccc(/C=C/c2ccc3ccccc3n2)c1 27212414 MRLFIGZIVXARJS-SERSOLAASA-N 331.459 6.019 0 1 EKAF CC(C)CCCCCCCCCCCCCCCCCCC(=O)O 33820159 HJVKLVGLKNGYGQ-UHFFFAOYSA-N 340.592 7.749 0 1 EKAF biogenic,in-vitro C[C@@H](N=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78313321 JTLWCTPCKXHSGE-NFJVIFTASA-N 331.500 5.081 0 1 EKAF Cc1ccnc(Nc2ccc(Oc3ncccc3C(F)(F)F)cc2)c1 139250791 MLUJXNAYJXRYSP-UHFFFAOYSA-N 345.324 5.340 0 1 EKAF C[C@H](CC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1 169729076 FLABEIHNLMJFOH-DQMJNTIXSA-N 340.470 5.665 0 1 EKAF CCc1ccccc1Oc1ccc(NCc2c(F)cccc2F)nc1 207723972 FQPAYCMWWYSEKT-UHFFFAOYSA-N 340.373 5.327 0 1 EKAF c1cncc(-c2ccc(-c3nc4cccnc4n3C3CCCC3)cc2)c1 299820997 IITVIUWCZZWENN-UHFFFAOYSA-N 340.430 5.275 0 1 EKAF CC(C)[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208240 SZRBUDRTPKTLMJ-CQSZACIVSA-N 327.427 5.522 0 1 EKAF CC1=CC[C@H](c2cnc3cccc4c3c2-c2ccccc2C4=O)C1(C)C 587208784 ZGGSAUIOHDOOEO-LJQANCHMSA-N 339.438 5.906 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccs3)cc1)O2 587412703 KCTOTKQPGJNIGC-SFHVURJKSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CCC(C)C)CC2=O 587477375 BZGUEJNXVOSEHH-VFNWGFHPSA-N 330.468 5.285 0 1 EKAF O=C1C[C@@H](c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508405 OTSHXUXNVFCUKT-SFHVURJKSA-N 346.348 5.291 0 1 EKAF CC[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522008 DZJJJXDMWMAUNO-UZUQRXQVSA-N 332.443 5.008 0 1 EKAF CCO[C@H](C)c1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2N)cc1 587627450 WTVFASLUXSEOGH-GFCCVEGCSA-N 328.843 5.476 0 1 EKAF CCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820011 NPMHHODDYULPDV-UOBOSBOUSA-N 338.264 5.076 0 1 EKAF COc1cccc(C2(c3nc4cc(C)c(Cl)cc4[nH]3)CCCC2)c1 587929959 BDXDBLJJPAWOTQ-UHFFFAOYSA-N 340.854 5.393 0 1 EKAF CCc1ccccc1COc1ccccc1-c1nc2cccnc2o1 1772646330 YQWHDBXINQBYNV-UHFFFAOYSA-N 330.387 5.031 0 1 EKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](C)[C@H](O)[C@@H]4C[C@@]43CC[C@@]12C 2356726896 ACKTWDWKZZRKCJ-CVCHTIFQSA-N 344.583 6.218 0 1 EKAF CN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 13452416 VMZWFUNEODYUEN-UHFFFAOYSA-N 340.829 5.142 0 1 EKAF CSc1ccc(-c2cscc2-c2ccc(SC)cc2)cc1 26741705 XQGZZVRZZDNXHR-UHFFFAOYSA-N 328.527 6.526 0 1 EKAF CCC(CC)n1cc2c3c(nc(C)cc31)N(c1ccc(OC)cc1)CC2 28958651 DPMLQDVLZKVMSV-UHFFFAOYSA-N 349.478 5.409 0 1 EKAF COc1ccc(CCc2c(Cl)ccc(O)c2Cl)cc1Cl 28972580 PBAYBNJYAVRJHR-UHFFFAOYSA-N 331.626 5.146 0 1 EKAF biogenic S=C(Nc1ccccc1)OCc1cccc(Oc2ccccc2)c1 40891904 WZMSTYKWIAKLQI-UHFFFAOYSA-N 335.428 5.393 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)cc1 49089847 MCBGILSXWGMMSH-NRFANRHFSA-N 347.439 5.456 0 1 EKAF CC(C)(C)CC[C@]1(C(=O)c2cc(Cl)c(Cl)s2)CCNC1 62225304 AIGSBZFJFSQVPD-HNNXBMFYSA-N 334.312 5.044 0 1 EKAF CCCCc1ccc(-c2nc(CN[C@@H](C)c3ccccc3)co2)cc1 72140935 JKMKJEUHCXJLGO-KRWDZBQOSA-N 334.463 5.535 0 1 EKAF Clc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 96903270 ZXRXHIJWIKJKGA-UHFFFAOYSA-N 329.856 5.066 0 1 EKAF Clc1cccc(Cl)c1/C=C1\CCN2Cc3ccccc3N=C12 101030277 VYXFRELMSOBDRS-ZRDIBKRKSA-N 329.230 5.326 0 1 EKAF S=C(Nc1ccccc1)N1N=C2CCCC[C@@H]2[C@@H]1c1cccs1 139898831 VQWKGIHKMXIZQJ-WMLDXEAASA-N 341.505 5.048 0 1 EKAF COc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1Cl 169350545 BMYKGYMFFKYRJH-UHFFFAOYSA-N 335.790 5.824 0 1 EKAF O=C1C[C@](c2ccccc2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587525407 PIZXLEGJUGRJQR-DEOSSOPVSA-N 346.470 5.616 0 1 EKAF Fc1cc2c(-c3ccccc3Cl)c(C(F)(F)F)[nH]c2cc1Cl 587629544 BAOZIZANECNLIC-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3cccc(C(F)(F)F)c3)c2c1 587641457 IYYHZNLLDKPMHX-ZDUSSCGKSA-N 345.408 6.599 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1C 587920434 KYXLDQHXWWWZMJ-UHFFFAOYSA-N 335.476 5.089 0 1 EKAF Fc1cc(F)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587950081 OZWQBHYZIGHFNW-UHFFFAOYSA-N 336.341 5.224 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2cc[nH]c2c1 1772612269 XVUKYPQPBIFBAO-NSCUHMNNSA-N 344.380 5.332 0 1 EKAF C[C@@H]1CC[C@@H]2[C@H](C1)c1c(O)cc(C=Cc3ccccc3)cc1OC2(C)C 2356420686 KCNFZTIIENBEPU-LSTHTHJFSA-N 348.486 6.253 0 1 EKAF CCCC=CC1(C=C2C(=O)O[C@H](CC)[C@@H]2O)CCCCCCCC1 2356722591 LAVVTAFRFZNUBP-RTBURBONSA-N 334.500 5.086 0 1 EKAF O=Cc1ccc([C@@H](C[N@]2CC23CCCCC3)C2CCCCC2)cc1 2356777168 OELMYHZWMSUJPW-JTHBVZDNSA-N 325.496 5.182 0 1 EKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)s2)cc1 13558579 HWMMJYGIAQSHCR-UHFFFAOYSA-N 344.435 6.160 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 15252686 TXHBNVYFCZMCPB-JOCHJYFZSA-N 340.463 5.804 0 1 EKAF biogenic O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1 34029679 CPQKZLNBCUOHCW-UHFFFAOYSA-N 346.474 5.043 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)c1Cl 45201718 GCZWPZLKPYDPHA-UHFFFAOYSA-N 327.786 5.118 0 1 EKAF Cc1ccc([C@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 84714674 YRFJSWZJODANPB-QFIPXVFZSA-N 341.435 5.313 0 1 EKAF COc1ccc2c(c1)[C@]13CCC[C@@H](C)[C@H]1[C@H](C2)N(C=C1CCC1)CC3 195228145 GXHZDJZDYXULJN-FBAPQVDSSA-N 337.507 5.067 0 1 EKAF CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OCC)c1 238768646 AEMUKTQSTGYTRH-XMHGGMMESA-N 344.539 6.759 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc(Cl)c(C)c2[nH]1 586970898 LYHOEGITGOMOPZ-UHFFFAOYSA-N 343.696 5.715 0 1 EKAF Cc1ccc2c(ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c32)n1 587073534 JPUBVSFNPYZJHU-UHFFFAOYSA-N 347.849 5.347 0 1 EKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1 587079105 GDIICXKKYAPOIZ-ZETCQYMHSA-N 343.645 5.358 0 1 EKAF Clc1cc(-c2nc3cc4ccccc4cc3[nH]2)c2ccccc2n1 587085575 UYOOKNPDYVQCFE-UHFFFAOYSA-N 329.790 5.585 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097762 NFOOZYBARQCCAA-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF CC[C@H](C)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102255 ZTTZGNVIBJUOPZ-ZFWWWQNUSA-N 341.454 5.831 0 1 EKAF CC(C)C[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587208793 ZKEQSODBRJMKCE-HNNXBMFYSA-N 341.454 5.597 0 1 EKAF Cc1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630036 OSEMADWFNWIJPR-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF COc1ccc2c(c1)[nH]c1c(N3CCC[C@H]3c3ccccc3)nccc12 1857630221 UURVWJFQRRGYMK-FQEVSTJZSA-N 343.430 5.066 0 1 EKAF CCCCCC[C@H](CC=CCCCCCCCC(=O)O)OC(C)=O 2356536646 OZNJPDLVWMTLKB-LJQANCHMSA-N 340.504 5.650 0 1 EKAF CC(=CCc1cc(O)c(C)cc1O)CCC=C(C)C[C@H](O)CC(C)C 2356737319 JUHGRLPYQZPVAA-HXUWFJFHSA-N 346.511 5.419 0 1 EKAF COc1c2c(c(COC(=O)CC(C)C)c3c(C)coc13)[C@H](C)CC=C2 13300549 SMXQJYKLBKWZEZ-CYBMUJFWSA-N 342.435 5.360 0 1 EKAF biogenic CC[C@@](Cc1ccc(Cl)cc1)(Oc1ccc(C(C)C)cc1)C(=O)O 13604895 SURINXVIHYGSRK-FQEVSTJZSA-N 346.854 5.318 0 1 EKAF Cc1ccc(Oc2c(C)cc(Cl)cc2Cl)c(CC(=O)O)c1 28767756 IBDFLWAGSHOMPI-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF COc1ccc2c(c1)[C@@H](N(C)C)C[C@@H]2c1ccc(Cl)c(Cl)c1 29483321 WJBOEJSDTQYWJJ-KDOFPFPSSA-N 336.262 5.140 0 1 EKAF Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)n2)ccc1O 29565190 BFQHXILWHBWRRV-UHFFFAOYSA-N 346.474 5.522 0 1 EKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163239 IKVALUWXTJLZEG-GFCCVEGCSA-N 338.480 5.094 0 1 EKAF O=C1CC(=O)CC(c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)C1 102929523 UQQGFACXUXLRNC-UHFFFAOYSA-N 349.213 5.191 0 1 EKAF CC(C)CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 103265778 XFSCRCQNAKRXLP-FQEVSTJZSA-N 339.870 5.065 0 1 EKAF C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)Nc2ccc(C)cc2)co1 103283701 PQKLRSIVXPRHSL-PFVIGBDXSA-N 335.447 6.156 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C[C@]34C)[C@@H]1CC=C2c1cccnc1 169267827 XZGMJHSOWUKXSJ-KPDDYGMPSA-N 337.507 5.088 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)nccc4[nH]3)cc2)CC1 586880619 NYAVNQKRPYSQIX-WKILWMFISA-N 349.478 5.795 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587052172 XLUAPVJNHURSSF-RYUDHWBXSA-N 331.246 5.758 0 1 EKAF Clc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Cl 587060160 COXQLMMRISMDOG-UHFFFAOYSA-N 326.614 5.135 0 1 EKAF Clc1ccccc1-c1nc(-c2nc3cnc4ccccc4c3[nH]2)co1 587060869 PKYLCXVVDVYWDQ-UHFFFAOYSA-N 346.777 5.087 0 1 EKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C)c(C)c2[nH]1 587067208 YUHJLNPEUSDACI-UHFFFAOYSA-N 328.843 5.153 0 1 EKAF Cc1ccc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc1C(F)(F)F 587095523 IUWAIAXGVPPBNU-UHFFFAOYSA-N 346.396 5.778 0 1 EKAF CC(C)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C 587526788 SERVZBLBKUIZHH-ULYRPOKDSA-N 326.480 5.362 0 1 EKAF CCCCCOc1cc2nc([C@H](C)CC)[nH]c2cc1Br 587957007 XXHBCWSCVWCXST-LLVKDONJSA-N 339.277 5.408 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 587960060 FDBOEASKHHTOHU-UHFFFAOYSA-N 334.463 6.114 0 1 EKAF Cc1ccc(-n2ncc3c2CC(C)(C)c2c-3[nH]c3ccccc23)cc1 621478145 DAQOVDGXNIWZIH-UHFFFAOYSA-N 327.431 5.163 0 1 EKAF CCc1nc(Nc2ccc(C)cc2C)c2c3c(sc2n1)CCCC3 1772617796 SPGIRMUEDOQIFE-UHFFFAOYSA-N 337.492 5.493 0 1 EKAF CCCCCC=C[C@H](O)C=CCC=CCC=CCCCC(=O)OCC 2356600584 QIAWNQWNJDEDRK-NRFANRHFSA-N 348.527 5.666 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CC=C[C@@H]1CCC(=O)O1 2356730627 WCLSJZFZJIIXNP-OAQYLSRUSA-N 326.480 6.000 0 1 EKAF Cc1ccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 61921043 MMNVNPXOJSMBGN-UHFFFAOYSA-N 332.834 5.554 0 3 EKAF O=C(O)C1(c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)CC1 13672564 CBZPNTGBQQEKFH-UHFFFAOYSA-N 338.422 5.657 0 1 EKAF c1ccc(CCCCN2[C@H]3CCC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 13827326 OPUKVGUEIVRYRA-WMZHIEFXSA-N 344.502 5.643 0 1 EKAF COc1cc2ccc(CCc3ccc4ccccc4c3)cc2cc1O 28111452 GSORHHBCZYLRMP-UHFFFAOYSA-N 328.411 5.492 0 1 EKAF COc1ccc2c(c1)[C@H](N(C)C)C[C@H]2c1ccc(Cl)c(Cl)c1 29483318 WJBOEJSDTQYWJJ-KBXCAEBGSA-N 336.262 5.140 0 1 EKAF CNCCS[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 34175207 YLLOMNULLDISSE-QGZVFWFLSA-N 335.925 5.041 0 1 EKAF C[C@@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5ccccc5[C@H]4CC[C@@]32C)OC1=O 40917770 YMZPSVHMSDTSBG-LWSVHVJFSA-N 338.491 5.255 0 1 EKAF COc1cccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1 72112389 LSDVOAZVJMBERH-UHFFFAOYSA-N 348.233 5.004 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@H]1N2C 100771892 AOGDHAKOMBZIIJ-YYTDSSBASA-N 339.523 5.280 0 1 EKAF Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 114744451 XQQVQNSOIVFNFD-UHFFFAOYSA-N 346.474 5.880 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 586882161 VIBOXIVVLOGRFI-UHFFFAOYSA-N 334.797 5.849 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586962884 IQHQQFIGVHNRLF-NSHDSACASA-N 336.382 5.576 0 1 EKAF Cc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1C 587113024 QZSIFHLDIPWIOY-UHFFFAOYSA-N 341.336 5.414 0 1 EKAF Cc1cc(Br)cc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587148982 LKFVDORENSSBBU-HWKANZROSA-N 349.178 5.082 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(SCC)c1)CC2=O 587491576 LPMBVZMQPXJJGX-LJQANCHMSA-N 342.460 5.163 0 1 EKAF Cc1ccc(F)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587509154 XKVYKJDGJSSSON-NRFANRHFSA-N 342.385 5.033 0 1 EKAF O=C1C[C@H](c2cccc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587533382 QUSRGPVQQPONQB-JOCHJYFZSA-N 344.410 5.131 0 1 EKAF COc1cccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)c1 587623878 BAOUQNIOYMXOFZ-UHFFFAOYSA-N 349.764 5.307 0 1 EKAF Cc1cc(Cl)cc2c(Cc3ccccc3)c(C(F)(F)Cl)[nH]c12 587624325 KXJPYXKISFHRRK-UHFFFAOYSA-N 340.200 6.009 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1 14585294 VEZSSHVWEILOAM-HSZRJFAPSA-N 345.442 6.044 0 1 EKAF endogenous,in-man Cc1c(CNc2nc3ccccc3s2)cccc1OCC(C)C 27434591 AQKGFIMSHACVNN-UHFFFAOYSA-N 326.465 5.252 0 1 EKAF Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1 66101968 YNLCDIVRFQTKLZ-UHFFFAOYSA-N 345.490 6.085 0 1 EKAF COc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccco2)cc1 103168700 RGOKIVGDMQRTMX-HXUWFJFHSA-N 338.428 5.395 0 1 EKAF CCCCC/C=C\C/C=C\C(C)(C)/C=C/C/C=C\CCCC(=O)O 169290079 HUYLBZXQCLRYHC-AXJWGELCSA-N 332.528 6.853 0 1 EKAF CCCC1(CCC)CC(=O)[C@@H]([C@H](c2ccccc2)C(C)(C)C)C(=O)O1 169715003 UFIWWBUKCPODDQ-OALUTQOASA-N 344.495 5.288 0 1 EKAF CC1=C[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H]3c4cc(O)c(C)cc4O[C@@]13O2 238755287 FWAFECHDILCSFU-OMTFSIPQSA-N 338.447 5.295 0 1 EKAF Cc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2n1 587063243 QQVXYHKSRTXZHZ-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4C1CC1)-c1ccccc1C2=O 587100491 LIQBVQHDHPJJBA-HNNXBMFYSA-N 339.438 5.585 0 1 EKAF FC(F)(F)c1ccccc1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587107507 UEFXOZLPFAPNFQ-UHFFFAOYSA-N 344.258 5.191 0 1 EKAF FC(F)(F)c1ccc2ncc(-c3nc4cccc(Cl)c4[nH]3)cc2c1 587112564 OBKXVHWKLRKSCN-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF Cc1ccsc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208652 DCMSSTKSOJHGRH-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF CC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354815 OUQMRHXNAVNXAT-FPOVZHCZSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C3CC3)c1)CC2=O 587479205 CAMZRKONFQJNKR-QFIPXVFZSA-N 336.431 5.103 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1cccc(C)c1)CC2=O 587489947 PZRFHPRUQPTGLA-QFIPXVFZSA-N 338.447 5.010 0 1 EKAF COc1c(F)cc(-c2[nH]c3cc(Cl)c(F)cc3c2C)cc1F 587629445 QLRDPWQMQGLZBR-UHFFFAOYSA-N 325.717 5.223 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccc(C(F)(F)F)cc3)c2c1 587643232 SPIPWYDYBXRRFD-CYBMUJFWSA-N 345.408 6.599 0 1 EKAF Cc1cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2cc1Br 587969302 LDHOUXOLRMZJCP-VXGBXAGGSA-N 335.289 5.564 0 1 EKAF C[C@@]1(Cc2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962671819 XERQVSYBKIJREP-QHCPKHFHSA-N 347.889 5.611 0 1 EKAF CCc1cccc(-c2nn3c(c2-c2ccc(O)cc2)[C@@H](C)C(C)(C)C3)n1 1857765060 HKUQMBLFKKCCHK-CQSZACIVSA-N 347.462 5.023 0 1 EKAF CC(C)=CCCC(C)=CCNC(=N)NCC=C(C)CCC=C(C)C 2356338405 WWGVMWNCEFTAEP-UHFFFAOYSA-N 331.548 5.486 0 1 EKAF Cc1c(C(=O)c2cccs2)oc2cc(-c3ccccc3)cc(O)c12 27521309 FBUORKOJMLUNMW-UHFFFAOYSA-N 334.396 5.406 0 1 EKAF CC(C)Oc1cccc([C@@H]2C[C@H]2c2ccc3cc(C(=N)N)ccc3c2)c1 141274715 AIYYJNSOLWDMRN-VXKWHMMOSA-N 344.458 5.182 0 1 EKAF CCCCC1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 586891435 QZFRPLUFCKCOMB-UHFFFAOYSA-N 336.277 5.184 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020789 BDDORMIUFDKTCV-UHFFFAOYSA-N 347.487 5.575 0 1 EKAF Cc1cc(F)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048471 HTEHFSSBSJUZBX-UWVGGRQHSA-N 335.209 5.588 0 1 EKAF CC[C@@]12CC[C@@H](C1)c1c2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100842 PMYRTMRPDKQAPI-LFPIHBKWSA-N 339.438 5.684 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCCc3cccc1c32 587483444 QGRPOFMKNXXJOI-NPMXOYFQSA-N 348.442 5.029 0 1 EKAF O=C1C[C@H](c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 587502546 CYZMHRWXUUXREZ-QGZVFWFLSA-N 347.241 5.579 0 1 EKAF Cc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1F 587503631 IDVRUEJUGHFIEC-NRFANRHFSA-N 342.385 5.033 0 1 EKAF CC1(C)[C@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527797 WRPOYPYDRQDEOI-GBXCKJPGSA-N 346.470 5.483 0 1 EKAF CCc1ccccc1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587626669 HDXMTYSTJDRMED-UHFFFAOYSA-N 326.827 5.253 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(Cl)ccc1Cl 587628410 OFCUWEKFTXXLTC-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587952077 LRRVZNJKDXEGNO-OSMZGAPFSA-N 341.377 5.023 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccccn2)cc1 963258612 PJTZEKMADHWPQE-MHECFPHRSA-N 342.486 5.495 0 1 EKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCC[C@H](C(C)(C)C)CC1 963602606 ABDFMNWIBODBMY-WCJKSRRJSA-N 345.527 5.060 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2cc[nH]c12 1772572345 WHYQPRNRKWYQAG-ONEGZZNKSA-N 344.380 5.332 0 1 EKAF C1=C(c2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 1857544678 XBNIRQLEMUTTLO-QFIPXVFZSA-N 334.418 6.405 0 1 EKAF CCCCC(=O)Oc1nc(-c2ccccc2)sc1-c1ccccc1 13822608 CRNNZIGNOAZMCQ-UHFFFAOYSA-N 337.444 5.573 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@H](C)N1CCC([C@@H](C)CO)CC1 13895061 CCOUQBSRJCGJNY-AABGKKOBSA-N 325.581 5.348 0 1 EKAF O=C(O)CCCCCCCCCCCCc1ccc2c(c1)OCO2 14591349 HVOXKQOMYYREAI-UHFFFAOYSA-N 334.456 5.334 0 1 EKAF biogenic,in-vitro Cc1ccn2c(CSCc3ccccc3)c(-c3ccccc3)nc2c1 27559099 WQNKEKJUHHSXSJ-UHFFFAOYSA-N 344.483 5.743 0 1 EKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1 28355444 JTADMRMOFDGEOG-UHFFFAOYSA-N 330.431 5.298 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccc(C)n3)cc2)n1 43195799 VJXWSROEQCKQGJ-UHFFFAOYSA-N 347.506 5.544 0 1 EKAF CN(c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 71331570 MPKLOYBHNYJZRD-QFIPXVFZSA-N 346.861 6.047 0 1 EKAF C[C@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C 72180289 HOWHTZZMBNDYEO-JTQLQIEISA-N 327.255 5.173 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 103178967 RPMPLFKVANMAFW-RMKNXTFCSA-N 349.257 6.044 0 1 EKAF C[C@H]1C[C@H](C)[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 103227115 XBTNMOPAIXKVGQ-YGTAYNOISA-N 340.507 5.432 0 1 EKAF O=C(NCCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 103231461 HCGQWLCVONOQEZ-UHFFFAOYSA-N 340.426 5.261 0 1 EKAF c1ccc(Oc2ccnc(-c3cc(Oc4ccccc4)ccn3)c2)cc1 145792059 KFCVPSMCQZRZAL-UHFFFAOYSA-N 340.382 5.728 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C[C@@]43C)[C@@H]1CC=C2c1cccnc1 169267667 XZGMJHSOWUKXSJ-PSQPFDPUSA-N 337.507 5.088 0 1 EKAF O[C@@H](c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1 169312334 YUEMTRQSSBNQHX-QFIPXVFZSA-N 347.364 5.262 0 1 EKAF Cc1cccc(Cl)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700101 MCWRDYCOSDQWDO-UHFFFAOYSA-N 336.822 5.212 0 1 EKAF O=C(O)CCCCCCCCC[C@H]1C[C@@H]2[C@@H]1[C@@H]1[C@H]3[C@H]([C@H]4CC[C@H]43)[C@@H]21 231930507 LXZYGXNGSMYQAG-BERIDWGISA-N 330.512 5.366 0 1 EKAF CC/C=C\C=C\C=C/C=C/CCCCCCCOC(=O)CC(C)C 238787395 MDNVKZNPVLCVQP-JNLIAWSNSA-N 332.528 6.551 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc[nH]c-4n3)cc2)CC1 586879590 GOLCBLGNAPQNDY-WKILWMFISA-N 334.467 5.436 0 1 EKAF C[C@@H]1c2ccccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586992218 ZVWBSZYPZKJDLY-GFCCVEGCSA-N 349.389 5.284 0 1 EKAF CCCC[C@@H](CC)c1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099417 HVFREGMSZIMRRO-MRXNPFEDSA-N 343.470 6.438 0 1 EKAF CC(C)=CCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099936 YJPBNBSGYGVHGT-UHFFFAOYSA-N 327.427 5.653 0 1 EKAF Cc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2n1 587164097 NWCICMFQUZXKBD-PTNGSMBKSA-N 335.407 5.056 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc1C 587205673 BXCMNDCSDVNOIO-UHFFFAOYSA-N 325.367 5.323 0 1 EKAF CC(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207743 UKFJTXCMDMMYCX-UHFFFAOYSA-N 349.433 6.237 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC(C)C)cc1)CC2=O 587476781 BDGXXQLAPIBDJB-OAQYLSRUSA-N 338.447 5.250 0 1 EKAF CC(C)(c1ccccc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521177 DFAFYYYVQNBIBD-HSZRJFAPSA-N 334.459 5.267 0 1 EKAF CCCCC/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817970 FUEKPLYKASFDHD-AVDDZBROSA-N 340.280 5.300 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc(C(C)(C)C)c2)N1 962942690 GADHYEJCKFTITK-KKSFZXQISA-N 348.490 5.185 0 1 EKAF CC(C)(C)OC(=O)Nc1ccc(-c2cc(-c3ccccc3)no2)cc1 1772601322 PZGXESPEDCVZQI-UHFFFAOYSA-N 336.391 5.356 0 1 EKAF COc1ccc([C@H](Cc2ccc(Cl)cc2Cl)n2ccnc2)cc1 28236618 XEBCLRDNKDPMCD-SFHVURJKSA-N 347.245 5.031 0 1 EKAF COC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)CC=C(C)C 34235870 HCXCHLMRBYGRPU-HMONXFHISA-N 334.500 5.276 0 1 EKAF biogenic,in-vitro CCCCS[C@@H]([C@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45394283 CRYLQIVORPQSTP-SJORKVTESA-N 338.904 5.346 0 1 EKAF CC(C)=CCC/C(C)=C/COc1ccc(/C=C/C(=O)O)cc1Cl 72125199 UYPXIBAPSHZUAR-WSZGUFMCSA-N 334.843 5.509 0 1 EKAF C=C(Br)/C(=C\Br)CCC(Cl)=C(C)C 140103098 AKXLQPIDMZTIOB-TWGQIWQCSA-N 328.475 5.487 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 238750118 CZUWIMDOXXXJRE-SHPISUKRSA-N 348.527 5.046 0 1 EKAF CSc1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896693 JGEVJGYDEASSLH-UHFFFAOYSA-N 332.428 5.324 0 1 EKAF CC(C)C[C@H](C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991190 LYOXDMSXDSRXNT-AWEZNQCLSA-N 345.442 5.377 0 1 EKAF Clc1ccc(CC2(c3nc4ccc5ncccc5c4[nH]3)CC2)cc1 587073113 BWKFWISRJQMWRM-UHFFFAOYSA-N 333.822 5.039 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(F)c1C3 587103424 GPZHXJUPYCCDSM-UHFFFAOYSA-N 337.353 5.157 0 1 EKAF O=C1C[C@@H](c2cc(O)cc3ccccc23)Oc2c1ccc1c2CCCC1 587529410 BOGGHHZJZIVJSJ-QFIPXVFZSA-N 344.410 5.131 0 1 EKAF O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2cc(F)ccc12)C(F)F 587633926 PGGDXULMNOYETA-UHFFFAOYSA-N 347.380 5.223 0 1 EKAF CCc1[nH]c2ccc([C@H](C)CC)cc2c1-c1ccc(Cl)cc1Cl 587642508 SVLHVZDTUMLMNY-GFCCVEGCSA-N 346.301 7.218 0 1 EKAF CCCC[C@]1(C2CCCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962633512 TXULWBZDJCRMRO-ZHRRBRCNSA-N 345.527 5.156 0 1 EKAF CC(C)c1ccsc1-c1cnc2[nH]c(COc3ccccc3)nc2c1 1857589506 AEEBOLKCUYHYCT-UHFFFAOYSA-N 349.459 5.389 0 1 EKAF COc1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)cnc1N 1857599675 HTQNCNANHRNFTR-UHFFFAOYSA-N 344.336 5.025 0 1 EKAF CCCCCC=CCC=CCCC[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2N1C 2356856693 SCTYQWLAJFDWLI-FSSWDIPSSA-N 345.571 6.072 0 1 EKAF C[C@@H](C(=O)O)c1ccc(-c2ccc(OC3CCCCC3)cc2)c(F)c1 13672511 JSVKMROCBOUOTF-CQSZACIVSA-N 342.410 5.392 0 1 EKAF CC[C@H](C)c1ccc(N2CCN(c3ccc([C@H](C)CC)cc3)C2=N)cc1 13780653 YRZYLLYQZAIQRS-HDICACEKSA-N 349.522 5.975 0 1 EKAF COC(=O)/C1=C\C=C(\C(C)C)CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1 15154400 DAHKLTNNCUHZKI-NQNKTFBXSA-N 332.484 5.126 0 1 EKAF Cc1cc(-c2cc(-c3ccccc3)cc(N3CCCC3)n2)ccc1O 29568818 URLFXMFCXRJZKX-UHFFFAOYSA-N 330.431 5.030 0 1 EKAF CCCC/C(=C(\CCCC)[C@H]1C=CC(O)=CC1)c1ccc(O)cc1 111460720 NQAUIXWEWHWTQZ-ZREAOVPFSA-N 326.480 6.544 0 1 EKAF Cc1ccc(Nc2cc(Cl)cnc2-c2ccccc2)c(C(=O)O)c1 113898577 LEDHCZLIAKEJKG-UHFFFAOYSA-N 338.794 5.152 0 1 EKAF C=C(N)c1cc2c(-c3cccc(-c4ccccc4)c3)cnc(N)c2s1 209732461 SHBWGYKUKOFCKR-UHFFFAOYSA-N 343.455 5.142 0 1 EKAF COc1ccc2[nH]cc([C@H](c3c[nH]c4ccccc34)C(F)(F)F)c2c1 221051094 ZGTGKQLLGMGKPJ-SFHVURJKSA-N 344.336 5.352 0 1 EKAF COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2 238779868 ZEHCEKRAEHFZNS-JBSURENYSA-N 342.523 6.560 0 1 EKAF CCc1ccc(OCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 473147689 FUFPLRFSDOPTTE-UHFFFAOYSA-N 345.442 5.105 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(OC(C)C)cc2[nH]1 587061348 DXKJVUVETNWRLG-KRWDZBQOSA-N 344.842 5.534 0 1 EKAF Cc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1C 587165777 DNJJFVXCDWAGFT-UHFFFAOYSA-N 333.410 5.300 0 1 EKAF CC(C)(C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522522 IPIPDASLXPJFHJ-XMMPIXPASA-N 348.486 5.744 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3O)c(C)c2c1 587638653 HMLNIXKVEMHGBZ-SNVBAGLBSA-N 348.273 6.669 0 1 EKAF COc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1O 587787117 QFZSMZUTMKGILC-UHFFFAOYSA-N 348.427 5.095 0 1 EKAF O=C(O)c1cc(Cl)cc2c1Nc1c(Cl)cc(Cl)cc1O2 621485721 HSLFCTYYRHSYBF-UHFFFAOYSA-N 330.554 5.194 0 1 EKAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963100702 IXSSDMOOVCPBGS-XMWCSXDSSA-N 339.498 5.134 0 1 EKAF COC(OC)[C@]1(C)CCC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]21 2356659985 AIJJLLDYGXOWRN-ILWGZMRPSA-N 346.511 5.145 0 1 EKAF C1=CCCCN(CCc2nccc3c2[nH]c2ccccc23)CCCCC1 2356721859 QPNAHRWWTIPNEH-UHFFFAOYSA-N 347.506 5.471 0 1 EKAF O=C(N[C@@H](CC1=CCCCC1)c1ccc2ccccc2c1)C(F)(F)F 38142331 IFYJTUGKEINYEM-SFHVURJKSA-N 347.380 5.450 0 3 EKAF Oc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1 13517909 YJEWKPAUMRNEES-UHFFFAOYSA-N 332.443 5.356 0 1 EKAF CCCCCCC(=O)c1ccc(O)c(-c2nc3cc(C)ccc3[nH]2)c1 26185113 NRMHXHGWMUBVRJ-UHFFFAOYSA-N 336.435 5.397 0 1 EKAF CC(C)c1ccc2c(c1)CC[C@@H](c1ccc(C(C)(C)C)cc1)N2C(=N)N 26823292 RYNHWWHSEPSONN-FQEVSTJZSA-N 349.522 5.495 0 1 EKAF Clc1cccc(-c2nnc3ccc(-c4ccccc4Cl)cn23)c1 74387362 KIDTUVNEAOCMDR-UHFFFAOYSA-N 340.213 5.370 0 1 EKAF C1=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CCC1 148062713 BUVDJQJAMKBNLQ-UHFFFAOYSA-N 329.403 5.580 0 1 EKAF Cc1cc(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879983 JSYVJDRTXMKVKQ-UHFFFAOYSA-N 341.252 5.568 0 1 EKAF CSc1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898265 NXOYYIJMBPSUCE-UHFFFAOYSA-N 332.428 5.324 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)o1 586905137 HJKVVVBCVLLSIC-UHFFFAOYSA-N 325.371 5.347 0 1 EKAF Cc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Cl 587073735 NSPCWFXJSBOYJK-UHFFFAOYSA-N 331.246 5.452 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2n1 587085175 MQIKSNRUHCWGKP-UHFFFAOYSA-N 336.826 5.124 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587163029 ZIWWMFFZHDPTSO-VXGBXAGGSA-N 338.279 5.131 0 1 EKAF CC(C)=CC=C[C@]1(C)CCc2c(cc(C)c(CC=C(C)C)c2O)O1 2356652100 ORUDNNWDGASPOM-JOCHJYFZSA-N 326.480 5.815 0 1 EKAF C/C(=C\C(=O)N1CCCCC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 13782681 DLQHPQMFSBHZOA-QZZNQRLBSA-N 349.474 5.242 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@](C)(CCCC(C)(C)O)C=C2 14585298 ZMSFODUWJLWJOE-HSZRJFAPSA-N 349.474 5.735 0 1 EKAF endogenous,in-man Cc1ccc2[nH]c3c(c2c1)CCN(C)[C@H]3Cc1cccc2ccccc12 26665000 NUYZREAEFKMCOK-QHCPKHFHSA-N 340.470 5.401 0 1 EKAF Cc1ccccc1O[C@@H](Cn1ccnc1)c1ccc2ccccc2c1 27860879 NOMUWJSWUCQYIS-QFIPXVFZSA-N 328.415 5.165 0 1 EKAF CC(=O)Oc1c(O)c(C)c2c3c1[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H]2C=C(C)C 34226777 IAAMNUWDKZNQQI-MGBSGCIJSA-N 342.479 5.696 0 1 EKAF Cc1ccc2c(NC(=O)C[C@H](C)c3ccccc3)c(Cl)ccc2n1 42921369 XIPYHTSEWHVJKV-ZDUSSCGKSA-N 338.838 5.329 0 1 EKAF COc1ccc(Cl)cc1C(=S)Nc1cccc(C(F)(F)F)c1 84739677 YCDDFFDFOIJGIN-UHFFFAOYSA-N 345.773 5.155 0 1 EKAF c1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 138893302 WXIBVYHNQSLJMN-UHFFFAOYSA-N 339.398 5.680 0 1 EKAF CCC[C@@](C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167549832 AMCZUFIBNJETQH-HXUWFJFHSA-N 336.541 6.017 0 1 EKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 392199922 AGZDUDQESLZZKR-UHFFFAOYSA-N 344.439 5.011 0 1 EKAF Cc1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1C(F)(F)F 587095329 DJUMLUQZSGOZMF-UHFFFAOYSA-N 344.380 5.360 0 1 EKAF O=NCc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587190020 IOVJQLLYCRPQDT-UHFFFAOYSA-N 343.386 5.075 0 1 EKAF CCc1c(C2CCCCC2)nc2cccc3c2c1-c1ccccc1C3=O 587206273 BVZIGGWBHNEICH-UHFFFAOYSA-N 341.454 6.056 0 1 EKAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)c(C(F)(F)F)c1 587210289 NEWIWZFIRGMFTJ-UHFFFAOYSA-N 329.321 5.028 0 1 EKAF Cc1ccc2oc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587529727 CVSFLEGMKICLKE-OAQYLSRUSA-N 332.399 5.327 0 1 EKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cc1 587625052 ZEEZRTXNHNKDGY-UHFFFAOYSA-N 349.764 5.253 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3cc(C(F)(F)F)ccc3=O)c2c1 587640465 DQADXKHPWDVXEK-LLVKDONJSA-N 348.368 5.160 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 587959512 OHEBZWJPHOMQDS-UHFFFAOYSA-N 338.414 5.005 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1c[nH]c2ccccc12 1772574194 PDUUPTZWWZYOGX-SNAWJCMRSA-N 344.380 5.332 0 1 EKAF c1ccc(-c2ccc(SCc3cc4ccccc4s3)nn2)nc1 1772583328 GPAOKXKOTVTJHO-UHFFFAOYSA-N 335.457 5.046 0 1 EKAF Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1cccs1 1861774 MWDLLINXKFKNRR-UHFFFAOYSA-N 327.499 6.211 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 14411051 SNKPCSRNBVWIIG-YPAWHYETSA-N 328.496 5.383 0 1 EKAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccccc2)oc1=O 14943747 KTIFKIQIKSWUCP-UHFFFAOYSA-N 338.428 5.287 0 1 EKAF Cc1cc(-c2ccoc2)c2ncc(CSCCc3ccccc3)n2c1 40391513 OBMQRDBHNBINPM-UHFFFAOYSA-N 348.471 5.379 0 1 EKAF Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 45287084 SNHDZSKBARVGQI-UHFFFAOYSA-N 336.438 6.138 0 1 EKAF Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 66103844 UDCNIDZIRCIMSB-UHFFFAOYSA-N 329.378 5.049 0 1 EKAF CC(C)CN1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671209 FXJIMUOQXGWOMU-KRWDZBQOSA-N 339.426 5.370 0 1 EKAF CCCCC/C=C/C/C=C/C/C=C/CCCCCCCCC(=O)O 113465498 RILVNGKQIULBOQ-YHTMAJSVSA-N 334.544 7.221 0 1 EKAF CC/C=C/C/C=C/C/C=C\CCCCCCCCCC(=O)NCCO 169334257 IGERBKTWMBMXMC-KYNNUBNZSA-N 349.559 5.465 0 1 EKAF c1ccc(-c2cc([C@H]3[C@H]4CC[C@@H](C[C@H]3c3ccccc3)S4)on2)cc1 169335219 GGNBFDVFZAGDEV-HXHBTQRASA-N 347.483 5.877 0 1 EKAF COC(=O)c1cc(OC)c2c3c1[C@H](C=C(C)C)C[C@H](C)[C@@H]3CC[C@H]2C 238776809 AUCRCYRJNKCLRT-QXSJWSMHSA-N 342.479 5.552 0 1 EKAF CSc1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586879115 PCODQKNWNBUXFI-UHFFFAOYSA-N 330.456 5.927 0 1 EKAF Cc1c(-c2ccccc2O)nc2cccc3c2c1-c1ccccc1C3=O 587207835 XBXBJQXOLPJQSR-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CCCC[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516607 YOLRYDIFTCNRKL-QFIPXVFZSA-N 335.447 5.011 0 1 EKAF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1Cl 587630076 QJZDGKLOKRNWQX-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF CCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820009 NPMHHODDYULPDV-MITAMQSDSA-N 338.264 5.076 0 1 EKAF C/C(=C\c1nc2ccc(Br)c(O)c2[nH]1)C1CCCCC1 587968798 UIMKJTNMJMFILI-MDZDMXLPSA-N 335.245 5.015 0 1 EKAF CCOC(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587970006 XKTGVQITUHZXNP-QBFSEMIESA-N 342.398 5.063 0 1 EKAF Cc1ccc(SC[C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963114503 VMDDMFKEYSMFOD-GHTZIAJQSA-N 341.495 5.162 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@@]45C[C@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772571666 QIZMKKCGLBWKJQ-WQZNBPTMSA-N 347.502 5.009 0 1 EKAF CC(=O)c1cc(/C=C/c2ccccc2)cc2cc(-c3ccccc3)[nH]c12 1857588542 LHAMDVIBGPGIFL-OUKQBFOZSA-N 337.422 6.208 0 1 EKAF CCCCC[C@H](O)C=CC=CCC=CCC=CCCCC(=O)OCC 2356731170 DXWNFRGRLVMUIG-NRFANRHFSA-N 348.527 5.666 0 1 EKAF Cc1ccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)cc1C 61904129 ZZADLUZTBONKTM-KRWDZBQOSA-N 329.852 5.162 0 3 EKAF O=C(Nc1ccc(F)cc1)c1cc2cc3ccc(Cl)cc3nc2o1 429158 HWQFRPGWWMRWQA-UHFFFAOYSA-N 340.741 5.026 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)c1 13829815 JWYBGPLSVSRAES-KJXAQDMKSA-N 349.449 5.190 0 1 EKAF CCC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)CC)c1O 25985926 ZRIDROQXOKBDLP-VAWYXSNFSA-N 342.548 6.999 0 1 EKAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccccc3)ccc2C1 27331123 HCNYNWZHRZQZAX-XMMPIXPASA-N 335.535 5.451 0 1 EKAF CC(=O)c1ccc2c(c1)[C@H](C[C@@H](C)CN(C)C)c1ccccc1S2 27741899 UANDJSJLPRJVNB-RDTXWAMCSA-N 339.504 5.074 0 1 EKAF CCc1ncnc(N[C@@H](CC)c2ccc(C(C)(C)C)cc2)c1Cl 28887672 HHTYSFWEEDSZRU-HNNXBMFYSA-N 331.891 5.553 0 1 EKAF CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12 64527891 OTWGFFXBGMUFBP-UHFFFAOYSA-N 344.414 5.338 0 1 EKAF Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)s2)o1 71340504 SBELFQIVOBJLFX-UHFFFAOYSA-N 331.824 5.531 0 1 EKAF Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c3ccccc3n2)cc1 84653949 MGJISOCLPSXYLG-UHFFFAOYSA-N 339.373 5.584 0 1 EKAF CCCCCCOc1ccc(-n2cnnc2-c2cccc(F)c2)cc1 103271760 NEBBGSFFNVVNGE-UHFFFAOYSA-N 339.414 5.033 0 1 EKAF CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1/C=C\c1ccccc1 206098552 OKMVXSASFNVYOK-QINSGFPZSA-N 348.486 6.286 0 1 EKAF CC[C@@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587206256 BUMYNTWFKILTQF-ZIAGYGMSSA-N 327.427 5.837 0 1 EKAF Cc1oc(-c2ccc(Cl)cc2)cc1-c1cc2c3c(cccc3n1)CC2 587209834 ZKSXUXZHDBJRIJ-UHFFFAOYSA-N 345.829 6.222 0 1 EKAF Cc1c(-c2ccc(C3CCCCC3)cc2)nc2cccc3c2c1CC3 587214646 VTHICVLZDSWNSN-UHFFFAOYSA-N 327.471 6.357 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccsc3)cc1)O2 587413419 NKPXFCRJSXLQAX-IBGZPJMESA-N 335.428 5.012 0 1 EKAF Cc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628048 GGZPCAIOUVWUFR-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF Cc1cc(Br)c2[nH]c(C(C)(C)c3ccccc3C)nc2c1 587954978 HVIGSIJJOGATBK-UHFFFAOYSA-N 343.268 5.268 0 1 EKAF CC/C(=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587967958 QEJVOHGKJZATSA-XYOKQWHBSA-N 348.343 5.980 0 1 EKAF CC(C)Oc1ccc(-c2nnc(-c3ccccc3)s2)cc1Cl 653701728 WPJRYVTWFLCDLL-UHFFFAOYSA-N 330.840 5.313 0 1 EKAF c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1 1857617259 MGNUUPFOORCXCU-UHFFFAOYSA-N 337.507 5.779 0 1 EKAF Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1 1857774465 PWLYFXFNLDFOGR-UHFFFAOYSA-N 341.370 5.243 0 1 EKAF CCCCCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)O 2356309476 JPDRASHSWRWLOW-NRFANRHFSA-N 348.527 5.968 0 1 EKAF CN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12 10227 LGAUJTOROBSSIZ-UHFFFAOYSA-N 326.403 5.141 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270711 OBQNBIYHGKLYKZ-PIATZUFCSA-N 349.518 5.509 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3cc(C(F)(F)F)ccc23)cc1 45300172 MLLUMEBAGMJYFX-UHFFFAOYSA-N 346.230 5.609 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162216 NOSVXTXDFJCPSY-LPHOPBHVSA-N 337.511 5.894 0 1 EKAF CCN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(C)s1 95584286 GLQCLDSRRFENCV-HXUWFJFHSA-N 348.471 5.242 0 1 EKAF Brc1ccc2c(c1)Sc1cc3ccccc3nc1N2 96905918 PZNBQWNCVMJTOD-UHFFFAOYSA-N 329.222 5.206 0 1 EKAF COc1ccc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)cc1 96913176 WDMFRCAMGZSKPP-FNVCAUGXSA-N 329.443 5.630 0 1 EKAF CC[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3Cl)c21 103178571 AQQKJWQPZKBOBV-GFCCVEGCSA-N 328.843 5.162 0 1 EKAF COc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1OC 214808394 JFMKQKJVYJYHBP-UHFFFAOYSA-N 343.473 5.216 0 1 EKAF FC(F)(F)c1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1 299818911 ASIILCRPNOUHLG-UHFFFAOYSA-N 328.337 5.453 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(C)cc(F)c2[nH]1 586971153 NURDBUZMMZRKCE-UHFFFAOYSA-N 327.241 5.201 0 1 EKAF FC(F)(F)Sc1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587026478 UXVCLCSTBFVUAU-DAFODLJHSA-N 326.368 5.407 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](C)C4)-c1ccccc1C2=O 587100591 LPFBVPLTMGIICT-ZIAGYGMSSA-N 327.427 5.125 0 1 EKAF CC(C)CSCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209316 NUMNGLIINSUZBW-UHFFFAOYSA-N 333.456 5.335 0 1 EKAF C[C@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(cccc3n1)CC2 587209818 YGPVVAKLIDRWSZ-NSHDSACASA-N 344.241 5.780 0 1 EKAF FC(F)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210022 AYJRWRRYUKFAEP-UHFFFAOYSA-N 327.399 5.358 0 1 EKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2cc(Cl)c(F)cc12 587629606 DKDFVNJUTISDHD-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3c(Cl)cccc3Cl)c2c1 587641245 LQSDJMXBDKVRGH-LLVKDONJSA-N 332.274 6.964 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCCC2)N1 587820051 OIEKEYSDUBHUFI-NHYWBVRUSA-N 340.280 5.134 0 1 EKAF COc1cc(C2(c3nc4ccc(C(C)(C)C)cc4[nH]3)CC2)ccc1C 587928052 XHEJVRBXJKUXEH-UHFFFAOYSA-N 334.463 5.257 0 1 EKAF CC/C(=C/c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587965533 BOJSJHOUNDHNDG-QBFSEMIESA-N 330.353 5.841 0 1 EKAF C[C@]12CC[C@H](C3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356319608 RBCMLWGBXWRMNN-RINWBABFSA-N 344.583 6.196 0 1 EKAF CC1=CC2=C(C)C=Cc3oc4ccc(Br)cc4c3[C]2O1 2356858992 UHAYTQFHDKEDRN-UHFFFAOYSA-N 328.185 5.353 0 1 EKAF CC(C)c1ccc2c(c1Cl)CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 13302835 OFNBZEHVLIXXFL-FFZOFVMBSA-N 334.887 5.558 0 1 EKAF biogenic O=C(O)[C@H](O)CCCCCCCCCCCC1CCCCCC1 13415622 QMSDXTYLUVLIRZ-LJQANCHMSA-N 326.521 5.693 0 1 EKAF biogenic CCC(CC)CC1(C(=O)Nc2ccccc2SC)CCCCC1 13813333 JCWKIXCQNJUJNF-UHFFFAOYSA-N 333.541 6.124 0 1 EKAF Oc1cccc(/C(=C(/c2cccc(O)c2)C(F)(F)F)C(F)(F)F)c1 26979136 CFKVCSPMSAQRSH-BUHFOSPRSA-N 348.242 5.133 0 1 EKAF O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(Cl)c(Cl)c1 40425054 BPZUZQPQBRVZKY-UHFFFAOYSA-N 343.213 5.308 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3cccnc3)C2)c1 40431369 WGBOCONCDWIVTA-HXUWFJFHSA-N 332.428 5.145 0 1 EKAF C[C@@H](Cc1ccccc1)NCCC1c2ccccc2-c2ccccc21 45374183 JGFDMCMMJWZZRO-SFHVURJKSA-N 327.471 5.410 0 1 EKAF CCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21 96938078 BRJRXEOBLQQTQY-UHFFFAOYSA-N 341.454 6.216 0 1 EKAF C=CC1=CC[C@H]2[C@@H](C[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]23C)[C@H]1C 238786052 HYHIOWBLMCOLTB-QBUJOIIVSA-N 330.512 5.539 0 1 EKAF CCc1c([C@H](C)CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991154 KFKBIZMBPIKFND-GFCCVEGCSA-N 331.415 5.228 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Cl)ccnc2[nH]1 587052158 XDXYGLWMAVJANN-HTQZYQBOSA-N 338.625 5.189 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1C[C@H](C4)C1(C)C)-c1ccccc1C2=O 587100307 GERLERVPWYESDP-UGSOOPFHSA-N 339.438 5.440 0 1 EKAF Cc1cnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587126303 XBWRTEKVDNGFIQ-DAXSKMNVSA-N 335.354 5.049 0 1 EKAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)O2 587174730 RTSXJYPNLBIPRR-FQEVSTJZSA-N 346.361 5.171 0 1 EKAF CC[C@@H]1C[C@@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206705 GVVVWZQFWXHCRL-ZIAGYGMSSA-N 327.427 5.522 0 1 EKAF C[C@@H]1CCCCCCCCCCCc2c(nc3cccc4c3c2CC4)C1 587215953 XHRBEBLZBZCIOR-LJQANCHMSA-N 349.562 6.969 0 1 EKAF O=C(c1ccc(Cl)cc1Cl)c1coc2ccc(Cl)cc12 587277812 DIHCCRNBPOHFDS-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3)s1)O2 587412466 ZCEYGNXABWULFR-OAQYLSRUSA-N 349.455 5.186 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC=C(c3ccccc3)CC1)CC2=O 587487039 YSTKMBVWFMMJJB-HSZRJFAPSA-N 348.442 5.316 0 1 EKAF Cc1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587628703 SYIKRRZPJBRQQK-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587634390 XHTMTBDBWJYDEW-UHFFFAOYSA-N 325.330 5.715 0 1 EKAF Fc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784690 UQLSWIYVFKPQTR-MDWZMJQESA-N 344.389 5.451 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(F)c(F)c(F)c2[nH]1 587952418 QMFBUPJBQATHKC-CWSCBRNRSA-N 326.362 5.027 0 1 EKAF CCC(CC)(CC)[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962697703 HQZUCBZKPNWCBS-KXBFYZLASA-N 335.532 5.447 0 1 EKAF Cc1sc2c(c1C)CCN[C@]2(C)c1ccc(OCCC(C)C)cc1 963005497 FIEFQHYVEHAECV-OAQYLSRUSA-N 343.536 5.199 0 1 EKAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@@]21C)CC(=O)O 2356652242 UQUZGMJKYGHBTQ-RYFZRTLDSA-N 336.516 5.039 0 1 EKAF Cc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12 7543 LSZNZLWBRQAWNH-UHFFFAOYSA-N 331.371 5.410 0 1 EKAF C=C[C@]1(C)O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2C[C@@H]1OC(C)=O 15168642 KZMQJOCDCYRIJB-WNHSNXHDSA-N 348.527 5.284 0 1 EKAF biogenic CC(C)(C)c1ccc(-c2nc3ccc(C(C)(C)C)cc3c(=O)o2)cc1 26651975 YKFKOGHRXDIYDZ-UHFFFAOYSA-N 335.447 5.450 0 1 EKAF Cc1ccc2[nH]c3c(c2c1)CCN(C)[C@@H]3Cc1cccc2ccccc12 26665004 NUYZREAEFKMCOK-HSZRJFAPSA-N 340.470 5.401 0 1 EKAF Cc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587030735 KHGJZGXWBNVTKR-ZDUSSCGKSA-N 347.487 5.830 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cncc(Cl)c2[nH]1 587049130 LJEVGFXXJYCFJX-JGVFFNPUSA-N 338.625 5.189 0 1 EKAF Cc1ccc2c3c(cc(CCCC(C)C)nc13)-c1ccccc1C2=O 587099135 BEAKSIVANPOQAC-UHFFFAOYSA-N 329.443 5.733 0 1 EKAF C[C@@H](c1cccc(Cl)c1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505147 YPWAEOVDLLWVHS-RNODOKPDSA-N 340.850 5.356 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2c1 587642992 ALPOKMGFAQENEN-QGZVFWFLSA-N 348.490 5.181 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C=C2CCCCC2)N1 587817377 BLMVEJTZKHODTD-XHDPSFHLSA-N 338.264 5.054 0 1 EKAF CC(C)C(C(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817669 DKRVEKIUIJJFNN-PIGZYNQJSA-N 342.296 5.092 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(Cc3ccc(Cl)cc3Cl)n1)O2 587874408 ZFEDAMJZQDRSEC-UHFFFAOYSA-N 335.165 5.150 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(F)(F)F)c2[nH]1 587952249 NJXNFLCHVHMTAX-HUBLWGQQSA-N 340.389 5.628 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(C(F)(F)F)c(C)c1 963230227 PCEDSTLCFZDRQZ-YWZLYKJASA-N 347.424 5.760 0 1 EKAF COc1cccc([C@H](C)CCN2CCC(Cc3ccccc3)CC2)c1 1772655901 SVKWAPQGLIWXND-LJQANCHMSA-N 337.507 5.144 0 1 EKAF CCCCCC[C@H]1C[C@H]1CCCCCc1cc(O)c(Cl)c(O)c1 1857628971 WFJSMFZUBOMYNK-DLBZAZTESA-N 338.919 6.461 0 1 EKAF CC(=O)O[C@@H]1Cc2c(cc3occc3c2C)[C@]2(C)CCCC(C)(C)[C@H]12 2356668623 WITNZPLCRJEDQU-URVUXULASA-N 340.463 5.313 0 1 EKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@@H]2c2ccc(F)cc2)C1 6859161 AUEMPCDOMTVLGE-VQTJNVASSA-N 336.410 5.070 0 1 EKAF CC[C@@H](C)c1cc(N)c(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1 26382844 HSCFVCLBGYSZSC-GFCCVEGCSA-N 347.842 5.164 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC 38146645 DCUXLBLUWUQKFU-AIBIWWTJSA-N 331.544 6.268 0 1 EKAF CC1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1 40423395 RDGQRZYRTFWBJR-UHFFFAOYSA-N 335.426 5.572 0 1 EKAF CO[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl 72101795 FJKPYZLCKNOVRG-LJQANCHMSA-N 344.241 5.327 0 1 EKAF O[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247408 RGSFRNAPJDYGIT-JSPTYHBCSA-N 337.438 5.088 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CCCO5)CC[C@@]43C)[C@@H]1CCC2=O 118920114 RYPQMODPXMALLX-OIELIUQCSA-N 330.512 5.147 0 1 EKAF CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 238774723 YWHGASVUJAMQSY-XOKYRMAASA-N 332.528 6.219 0 1 EKAF O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)Oc2ccccc21 299854873 ANDBYPZRFZDSHU-QFIPXVFZSA-N 348.373 5.111 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888986 KJHLHJKHJMYDTM-ZUOKHONESA-N 333.460 5.743 0 1 EKAF CC(C)c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(O)c(C(C)C)c1 586896777 PLCUBEGZGODADU-UHFFFAOYSA-N 348.368 5.600 0 1 EKAF Cc1cccnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097699 PHUINPVOYMBWMZ-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF CC[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100429 JVRIFXAOZLPAIX-AWEZNQCLSA-N 327.427 5.585 0 1 EKAF O=NCc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587191338 YOPAVRDXDMYZIW-UHFFFAOYSA-N 329.359 5.289 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccsc3)c1)O2 587412745 KRCAZUSYEGEKMA-IBGZPJMESA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ccccc3c1)CC2=O 587479199 CAGVZVJGELABOC-QHCPKHFHSA-N 346.426 5.379 0 1 EKAF CCC[C@@]1(CCc2ccc(F)cc2)NCCc2ccc(F)c(C)c21 962372880 IARBLYBFGBDZQT-NRFANRHFSA-N 329.434 5.047 0 1 EKAF Oc1ccc(-c2c[nH]c3ncc(-c4ccc5[nH]ccc5c4)cc23)cc1 1772592293 GPMRASYSIQENIJ-UHFFFAOYSA-N 325.371 5.084 0 1 EKAF Cc1cccc(C)c1Nc1nc(C2CC2)nc2sc3c(c12)CCCC3 1772596066 GCBDVFUXVDPZKZ-UHFFFAOYSA-N 349.503 5.808 0 1 EKAF Clc1ccc(-c2nc(-c3ccccc3)n(Cc3ccccc3)n2)cc1 1857602465 RZJYQMHZBXVMAL-UHFFFAOYSA-N 345.833 5.314 0 1 EKAF C[C@@H]1CCCN(CCCCCCOc2cccc3ccccc23)C1 1857752389 GHYMSHCQNSDRMS-LJQANCHMSA-N 325.496 5.511 0 1 EKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@@H]2c2ccc(F)cc2)C1 6859167 AUEMPCDOMTVLGE-WOJBJXKFSA-N 336.410 5.070 0 1 EKAF CC1=CC[C@@H]([C@]2(C)Cc3c(Oc4ccccc4)cc(C=O)cc3O2)CC1 26492539 ADAGMTISWNFVLE-JPYJTQIMSA-N 348.442 5.731 0 1 EKAF Cc1ccc(Oc2cc(C)c(Cl)c(C)c2Cl)c(CC(=O)O)c1 28767751 WQLLQAMIUTVVLR-UHFFFAOYSA-N 339.218 5.338 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)NC 29557836 HIAMCIYIBAUQOY-YJSMBUJGSA-N 333.516 5.415 0 1 EKAF CC(C)=CCC/C(C)=C/COc1cc(O)cc(O)c1C(=O)C(C)C 238788243 RDVNGNVGNNWVTM-OQLLNIDSSA-N 332.440 5.008 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cnc3ccccc3c2[nH]1 586880015 WRWQFRXWEMPVPM-UHFFFAOYSA-N 335.410 5.754 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)cncc3[nH]2)cc1 587162491 BTTNIEXZFQBJDK-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Cc1cc2c(o1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587205953 FHJFWEFTLWCCOI-UHFFFAOYSA-N 337.378 5.113 0 1 EKAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587623644 KXZSJOYGHAIVFM-UHFFFAOYSA-N 347.245 5.652 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3cccs3)c(C(F)F)[nH]c12 587624089 CGWZNEZUNSEZRB-UHFFFAOYSA-N 325.767 5.360 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)OC)c2c1 587640945 HICYHCHSBYVPEV-ZDUSSCGKSA-N 339.410 5.203 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587952385 PVJBCAYARGGLJR-LZWOXQAQSA-N 329.488 5.302 0 1 EKAF Clc1cnc2[nH]c(/C=C/c3cccc4ccccc34)nc2c1Cl 587966418 CNLFKIZZZXYTCE-CMDGGOBGSA-N 340.213 5.588 0 1 EKAF CCc1c([C@@]2(C)NCCc3c2sc(C)c3C)oc2ccc(C)cc12 963025751 OVLWKLFMGNIZHY-OAQYLSRUSA-N 339.504 5.391 0 1 EKAF Cc1ccc(-c2cccc([C@H]3NCCc4cc(Cl)ccc43)c2)cc1 963391479 UNLQCYGTSQQVET-JOCHJYFZSA-N 333.862 5.551 0 1 EKAF CC(/C=C/C=C(/C=C/c1ccc(Cl)cc1)c1ccccc1)=C\CN 1857597190 NNGHRTMXBLWPSD-FYHRZTQGSA-N 335.878 5.898 0 1 EKAF CCCCCC=CCC=CCC[C@@H](CCCCC(=O)O)OC(C)=O 2356442120 OUMFXFXCXJCNNV-IBGZPJMESA-N 338.488 5.426 0 1 EKAF CC[C@H]1[C@](C)(c2oc(OC)c(C)c(=O)c2C)[C@H]2C(C)=CC(C)=C[C@@]12C 14616084 IQPZJQHBDGXCCK-QQOZLPODSA-N 342.479 5.091 0 1 EKAF biogenic COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCc2ccccc2)=N1 26573230 CWTGRHYNQWRYDD-JXAWBTAJSA-N 343.430 5.003 0 1 EKAF CCCCCc1cc2c(c(N(C)C)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45367876 AGYFBALDFWJXGI-RTBURBONSA-N 341.539 6.096 0 1 EKAF CCOc1ccc2ccc(-c3cc4ccccc4nc3OCC)cc2n1 49072926 ZJNSZSVEVPVDSI-UHFFFAOYSA-N 344.414 5.247 0 1 EKAF COc1cc2occ(C(=O)c3ccc(-c4ccccc4)cc3)c2cc1O 96921273 WTSWYZRGLUHSRI-UHFFFAOYSA-N 344.366 5.045 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccccc1Cl 169299053 IVFPOLVYGMGRKB-BNDYYXHWSA-N 338.834 5.040 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586884721 YBVMJHGRHZSUEO-UHFFFAOYSA-N 342.377 5.016 0 1 EKAF COc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Cl 586964244 VVNDXNZOHJGGCD-LLVKDONJSA-N 332.856 5.219 0 1 EKAF CC(C)(C)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587081694 YRTJQNVJEYJCSY-UHFFFAOYSA-N 337.854 5.517 0 1 EKAF C[C@@H]1CC(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C[C@@H](C)C1 587208231 STATWWXGVSNCJO-GJZGRUSLSA-N 341.454 5.986 0 1 EKAF Cc1cccc([C@@]2(C(C)(C)C)c3c(F)cccc3C[C@H]3CCCN32)c1 963108416 OWEHEKPEDUOBIO-XXBNENTESA-N 337.482 5.444 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)nc2c1Cc1ccccc1-2 1772608499 AZQOARKTDMDIIJ-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCN2CCCCCC2)cc1 1857538358 NTMAHDOXEBKVCH-UHFFFAOYSA-N 331.544 5.799 0 1 EKAF CC(=O)OCC=C(C)CCC[C@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C 2356471357 UMBAAYHFKZFIKK-FBBABVLZSA-N 336.560 6.545 0 1 EKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C=C3[C@H](C)CC[C@@H]3C(C)=CC[C@@H]12 2356719778 HVZVENPVUYEHDQ-GSTNUMOISA-N 340.595 7.724 0 1 EKAF Clc1ccc2c(c1)N1CC[C@@H](n3ccnc3)c3cccc(c31)S2 3940694 LQFFHHZDIOQTCC-CQSZACIVSA-N 339.851 5.132 0 1 EKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@H]2c2ccc(F)cc2)C1 6859179 AUEMPCDOMTVLGE-UXHICEINSA-N 336.410 5.070 0 1 EKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccco3)cc12 14945730 VNZAKQOQHSANKG-UHFFFAOYSA-N 335.329 5.119 0 1 EKAF CCc1ccc([C@@H](CC)[C@H](CC)c2ccc(CC)c(O)c2)cc1O 27655834 XPIVKAOXXQLXRY-WOJBJXKFSA-N 326.480 5.910 0 1 EKAF FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878407 HIFGIGWFWSVOEK-UHFFFAOYSA-N 342.845 5.282 0 1 EKAF CCOc1ccc(-c2cc(N)cc(-c3ccc(OCC)cc3)c2)cc1 103285291 TVZXKQKJUYILLX-UHFFFAOYSA-N 333.431 5.400 0 1 EKAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)SC 144374316 GSLDYEUXPPAHCC-DLBZAZTESA-N 332.550 5.255 0 1 EKAF CN(C)CCCc1c(-c2ccccc2)sc2ccc(Cl)cc12 169319180 JITGTWPFCSZFOA-UHFFFAOYSA-N 329.896 5.716 0 1 EKAF CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCC(C2CC2)=C1C(C)C 473113003 FHOBBJDFMVSLRC-FKXLRVRBSA-N 326.480 5.993 0 1 EKAF CCc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1CC 586880288 WXORFSVQPZQADY-UHFFFAOYSA-N 347.231 5.256 0 1 EKAF Oc1ccc2scc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2c1 587031992 DQNAPRBSWSNVEZ-UHFFFAOYSA-N 335.215 5.457 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCC3 587206708 GWHRWKSDERDGPR-UHFFFAOYSA-N 327.427 5.495 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(F)cc1)O2 587383511 CQVUMPAXQVEZCB-NRFANRHFSA-N 347.389 5.090 0 1 EKAF Cc1cc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2[nH]1 587526887 RRZBLVBABFSONC-HXUWFJFHSA-N 331.415 5.062 0 1 EKAF CCC1=C[C@@](CC)(C[C@@H](CC)CC(CC)CC)OC1=CC(=O)OC 2356675820 HAXCESPGDCXOAV-LAUBAEHRSA-N 336.516 5.801 0 1 EKAF COC(=O)[C@@H]1CC[C@]2(C)C(C)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 2356676192 OLSXWVKJHIFZKA-FMWKFLBASA-N 330.468 5.164 0 1 EKAF Cc1ccccc1Nc1nc(NCc2ccccc2)nc2ccccc12 13742271 IGHURCBLHKYCFM-UHFFFAOYSA-N 340.430 5.294 0 1 EKAF Cn1c(-c2ccccc2)c(C2=CC[C@H](C(=O)O)CC2)c2ccccc21 29397079 YBFVMNRPLILYFI-KRWDZBQOSA-N 331.415 5.113 0 1 EKAF CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(CC)cc3)cc12 49525756 LDOOWNQBEVKCGT-UHFFFAOYSA-N 341.842 5.184 0 1 EKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3[C@H]1CC=CCC1 103945452 WUTIMTDELQMQQE-YCRPNKLZSA-N 344.458 6.065 0 1 EKAF CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C/[C@@]12C[C@@]1(C)CCCC2(C)C 169301600 ZQAZXAXJQNKOAF-PJSLYNSVSA-N 342.523 6.161 0 1 EKAF Cc1nc(N[C@@H](C)c2ccccc2)cc(-c2ccc3ccn(C)c3c2)n1 205889297 SJMGLEKBBYJRES-HNNXBMFYSA-N 342.446 5.117 0 1 EKAF CCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356784 RSJJEFBOVZZIKO-TZIWHRDSSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ccc(C)cc13)CC2=O 587483203 LKLSMKHOAUTKOI-HXUWFJFHSA-N 349.430 5.149 0 1 EKAF Cc1ccc(C)c2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522108 FCTVYRXTJHLUSE-XMMPIXPASA-N 346.470 5.379 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1C 587634010 STJXFNNDFGZUIN-UHFFFAOYSA-N 335.300 5.174 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(C)C)c(-c3ccc(Cl)cc3)c2c1 587639612 AQFIAVSRVVBJGI-AWEZNQCLSA-N 325.883 7.125 0 1 EKAF CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356423619 HYHNPUDYNQKSFL-QAKWWWIMSA-N 330.556 5.972 0 1 EKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccccc2)n2ccnc2)cc1 5974671 OGHJQKFISFQGPS-FQEVSTJZSA-N 333.822 5.169 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]2C1(C)C 13302158 PHSKKUGTTBRRRA-VWPQPMDRSA-N 344.495 5.087 0 1 EKAF biogenic CCC1(CC)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 13488876 HWFFFZIEYMMDDC-UHFFFAOYSA-N 331.868 5.749 0 1 EKAF CCC(=O)c1ccc2c(c1)C(=C1CCN(C)CC1)c1ccccc1S2 27731874 IKUXXVWFVKAYNB-UHFFFAOYSA-N 349.499 5.271 0 1 EKAF CN1CCC[C@H](CN2c3ccccc3Sc3cc(Cl)ccc32)C1 28821634 HUTMXSAVJKSLCI-AWEZNQCLSA-N 344.911 5.285 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 58590234 LAZGFPQCCUTDPH-MENZVKOBSA-N 331.503 6.204 0 1 EKAF C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1Cl 66097845 XQYODJPYRZMHCQ-CQSZACIVSA-N 329.871 5.057 0 1 EKAF O=c1ccc([C@@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@H]3CC[C@H]3CCCC[C@H]32)co1 263636624 HAJGVUYNXHQLER-WRIDMNBYSA-N 326.480 5.376 0 1 EKAF CC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586878535 JNPYVNSLQNNNJA-UHFFFAOYSA-N 326.399 5.408 0 1 EKAF Cc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Cl 587022503 ZVIWDIRVMYIPIL-UHFFFAOYSA-N 339.851 5.239 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(Br)cccc4[nH]3)cc2C1 587033853 NWWLPIWMPARLSK-VIFPVBQESA-N 347.281 5.179 0 1 EKAF Cc1ccc2c3c(cc(/C=C\c4ccccc4)nc13)-c1ccccc1C2=O 587099702 SQDRKPKQETWRJT-SEYXRHQNSA-N 347.417 5.925 0 1 EKAF Cc1c(Cc2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099732 UIWJNICWLVZKTE-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF Cc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149858 NRDDQKISFPVAGE-HXUWFJFHSA-N 331.394 5.212 0 1 EKAF CCC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351390 GLNQEOPULPNEFB-DRWCTHJISA-N 342.410 5.085 0 1 EKAF CCc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587631161 ICXIGGIAHYRZKI-UHFFFAOYSA-N 330.790 5.084 0 1 EKAF COc1cccc(C2(c3nc4ccc(Cl)c(C)c4[nH]3)CCCC2)c1 587930074 DGTQSHKQYBZYGE-UHFFFAOYSA-N 340.854 5.393 0 1 EKAF Clc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1Cl 587951362 KREUZTYQZCSLEL-UHFFFAOYSA-N 333.218 5.468 0 1 EKAF CCCC/C=C\c1nc2cc(OCCC)c(Br)cc2[nH]1 587965422 LVUPPEOVKWNRAI-FPLPWBNLSA-N 337.261 5.318 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1CCc1cnc2ccccc2c1 963236646 GJPBQYJUXWHOFE-MHECFPHRSA-N 344.502 5.565 0 1 EKAF Cc1cccc(Nc2nc(-c3cc(Cl)c(Cl)s3)cs2)n1 13141310 USMPACRJMWYHSN-UHFFFAOYSA-N 342.276 5.625 0 1 EKAF c1cc(CN2CCCCC2)ccc1COc1ccc(C2CCCC2)cc1 13517689 YKPFELLNRCUEIV-UHFFFAOYSA-N 349.518 5.909 0 1 EKAF COc1ccc(O)c(O)c1C=C1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C 13906464 SJKXQWZJYOQHJG-JSVDNDDVSA-N 344.495 5.752 0 1 EKAF biogenic COc1ccc(COc2ccccc2CCc2cccc(OC)c2)cc1 29134856 XNQCQYQFCIIWRA-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF CC(=O)O[C@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@H]12 40392800 RTHBKQKTWBMPLC-WGEIESBPSA-N 344.495 5.340 0 1 EKAF Clc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@H]3C2)co1 299810944 XVZJUGJINNLDBY-GJZGRUSLSA-N 330.859 5.007 0 1 EKAF CCC1=C(CCC(C)C)/C(=C/C(C)=C\C=C\C(C)=C\C(=O)O)CCC1 473122232 RKHCRJYMCBKZCB-JYIUJBHISA-N 342.523 6.773 0 1 EKAF COc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1C 587075389 CMVGUWJJONTFAO-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF O=C(Cc1cccc(C(F)(F)F)c1)c1coc2ccc(Cl)cc12 587278724 RZWQEXDKYUUIHU-UHFFFAOYSA-N 338.712 5.530 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(OC)c3)c2c1 587643274 SPDBHXNRMTXRSX-ZDUSSCGKSA-N 336.435 5.251 0 1 EKAF c1ccc2c(c1)-c1nccc3cc[n+](Cc4ccc5ccccc5c4)c-2c13 1772623584 HVQIKFKCUIRYKL-UHFFFAOYSA-N 345.425 5.371 0 1 EKAF CCc1cccc(N(C)C(=N)N(CC)c2cccc3ccccc23)c1 13733854 CTSFWEVBPPLUNL-UHFFFAOYSA-N 331.463 5.300 0 1 EKAF CSc1nc2c(Nc3cccc(O)c3)c3ccccc3nc2s1 29131312 DUGMXPUOFILOKC-UHFFFAOYSA-N 339.445 5.016 0 1 EKAF CC1(C)C(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1(C)C 35941771 MTSXZJMASRYJFC-UHFFFAOYSA-N 331.459 5.555 0 1 EKAF Oc1cccc(-c2ccc(-c3ccc(O)c(C(F)(F)F)c3)s2)c1 45291408 KUUIZFJDYGAKEI-UHFFFAOYSA-N 336.334 5.512 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)nc1 45298411 ILKNXILFHRYMRZ-UHFFFAOYSA-N 347.218 5.004 0 1 EKAF Clc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1Cl 96905706 GIHSJDLFPUHTLC-UHFFFAOYSA-N 345.189 5.268 0 1 EKAF CC1=CCC[C@]2(C)[C@@H]1CC=C1[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 143769005 GQFGWUOYUZBTDM-ROKMFXFQSA-N 326.568 7.312 0 1 EKAF C1=NC[C@@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169328309 RFEDASQCPIEZHK-HTYBTHQDSA-N 348.534 5.680 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccno1 253636830 RBGXPUBOKUORNP-CCMMITDPSA-N 341.495 5.082 0 1 EKAF Cc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587161766 QUERXDOGZWMNSY-OLZOCXBDSA-N 345.215 5.044 0 1 EKAF Cc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195717 ITAYOWMFVAZMDX-UHFFFAOYSA-N 327.431 5.078 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3c1ccccc1 587207480 LNTMIWLFGXZFBY-INIZCTEOSA-N 347.417 5.524 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)C3)c1 587365882 JKYVHVROJDDCNX-UHFFFAOYSA-N 327.383 5.616 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C)c1Cl)CC2=O 587461798 SZFISGGWXNDLCU-SFHVURJKSA-N 344.838 5.321 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(C)cc3)c2c1 587641443 FYEIFEVACYJUNY-OAHLLOKOSA-N 334.463 5.228 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(F)F)c2c1 587642014 LJRWGIQGMQTLIQ-NSHDSACASA-N 345.393 5.013 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCCCC2)N1 587822066 ZISPTMHFSFFIGI-GTNSWQLSSA-N 340.280 5.134 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)cc(-c2ccc(Cl)cc2)n1 653739097 PVXOJHDGRIRISI-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)N=N1 1857538833 XFRVTPWXXZOYFP-DSWGTCOTSA-N 328.500 5.108 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1O 2356445208 YMYBAWFGDGMZLY-HNNXBMFYSA-N 346.467 5.267 0 1 EKAF CCc1c(C)sc2c1CCN(Cc1ccccc1)[C@@H]2c1ccccc1 8609028 AFIHDGJQHWYCEI-JOCHJYFZSA-N 347.527 5.767 0 1 EKAF CC(=O)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 13743616 QXFUZAYIMAGSKV-GOSISDBHSA-N 348.489 5.100 0 1 EKAF CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)CC[C@@H]3CC1CC1 26375809 KBHLDRNNQQQZDC-ZHRRBRCNSA-N 339.479 5.530 0 1 EKAF CCCCC[C@H](O)c1cccc(/C=C/c2ccc3ccccc3n2)c1 27212418 MRLFIGZIVXARJS-JLQMKUNGSA-N 331.459 6.019 0 1 EKAF c1ccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1 38239737 JYQLLKLZPAPUPW-UHFFFAOYSA-N 349.457 5.179 0 1 EKAF Cc1ccc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)o1 45286541 WAODYHWCESZZOF-DEOSSOPVSA-N 336.412 5.406 0 1 EKAF Clc1cccc(CNc2cc(Oc3ccccc3Cl)ncn2)c1 82068250 MGRQTEZWPBCRBI-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF C/C1=C/CC[C@]2(C)C=Cc3c(cc4c(c3C/C(C)=C/CC1)OCO4)O2 140499327 KUXTYWCKIQNOGF-RBXZHMKSSA-N 338.447 5.589 0 1 EKAF C1=C(c2ccccc2Cc2ccccc2)CCN(Cc2ccccc2)C1 146185095 MQGWYEZYJMKUCA-UHFFFAOYSA-N 339.482 5.567 0 1 EKAF O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 149071256 RIBXPGIEMRBUDS-UHFFFAOYSA-N 327.427 5.337 0 1 EKAF C=C/C(C)=C/C[C@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@@]21C 238745661 VJDJSELBAMIXHE-ONDKJIRUSA-N 330.512 5.851 0 1 EKAF Cc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884901 RPSPNPSVDDZWGZ-JWXAPSBJSA-N 345.284 5.102 0 1 EKAF Cc1cnc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 587030777 KZWGFNPEVGAUAJ-ZDUSSCGKSA-N 348.475 5.225 0 1 EKAF Cc1c(Cl)ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587173700 GTEYWSCWXKDXFP-UHFFFAOYSA-N 334.181 5.466 0 1 EKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)cc(F)c1C(F)(F)F 587210598 RWUSHCCQTLODQX-UHFFFAOYSA-N 335.275 5.297 0 1 EKAF COc1ccc2cc(Cc3c(C)nc4cccc5c4c3CC5)ccc2c1 587213049 FMVVQKPOPSIIJW-UHFFFAOYSA-N 339.438 5.394 0 1 EKAF CC[C@]1(c2cc(C)sc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587533498 WEFVUUMGZMEUDN-OAQYLSRUSA-N 340.488 5.514 0 1 EKAF CCCc1cc(-c2nc(-c3ccc(SC)cc3)cs2)ccn1 587925930 VYRNKXQAWCVITQ-UHFFFAOYSA-N 326.490 5.547 0 1 EKAF C/C(=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CCCCC1 587969571 ZQRAKMBKZBEESZ-JQIJEIRASA-N 332.447 6.339 0 1 EKAF COc1ccc(/C(=C(/CCN)c2ccccc2)c2ccccc2)cc1 653746658 JHFNEQXWTRPFOT-FCQUAONHSA-N 329.443 5.003 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](OC(C)C)c2ccccc2)N1 962944295 HNQLXJMEFRXYAG-NLSFWIRASA-N 348.490 5.300 0 1 EKAF Cc1ccccc1-c1nc([C@@H]2NCCc3cccc(Cl)c32)cs1 963391706 XDNYCAMCTJSVJB-SFHVURJKSA-N 340.879 5.007 0 1 EKAF CCCCCCC(C)=CC(=O)OC[C@H](C)CCC[C@H](C)CC(=O)O 2356473509 HPMCDJQPMNPVHR-FUHWJXTLSA-N 340.504 5.364 0 1 EKAF CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC 2356631590 HYDPWFDNDQSROZ-UHFFFAOYSA-N 330.512 6.471 0 1 EKAF CC(C)(C)Cc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn12 72136559 FKMKYJPJVKGITC-UHFFFAOYSA-N 333.262 5.897 0 3 EKAF C[C@H](OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 13862285 GYFPJRCBESWMKD-SFHVURJKSA-N 341.470 5.206 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC1CC1 25963039 VFUUEBWDCNNJEJ-CIQOUTPZSA-N 328.496 5.066 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)c1ccccc1O 38421978 LSZKCJWMCQOQTJ-LCAIAVFMSA-N 340.507 6.774 0 1 EKAF COc1ccc(C(=O)[C@@]2(C)C=C(c3ccc(OC)cc3)[C@@H](C)C2)cc1 66167237 ZEAIBWYHGRCZBA-OYHNWAKOSA-N 336.431 5.016 0 1 EKAF O=C1CCCC[C@@H]1[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1F 66262503 ARVVITKZTJPAHB-LIRRHRJNSA-N 333.353 5.016 0 1 EKAF CO[C@@]12CC[C@]3(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]3C1=CC(=O)O2 86002332 FCFUSYHGZLEMJM-ZYSWCSJBSA-N 346.511 5.123 0 1 EKAF in-man CC1(C)[C@H](c2ccccc2)[C@]12CC[C@@]1(C2=O)[C@@H](c2ccccc2)C1(C)C 105488802 KXLWBFPVIVAVFT-WNLYKICVSA-N 344.498 5.969 0 1 EKAF Cc1cc(Cc2nc3ccc(Cl)c(C)c3[nH]2)ccc1Br 586977586 RFCFNTHVCNLLAS-UHFFFAOYSA-N 349.659 5.186 0 1 EKAF Cc1nccc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 587050740 LGSIAVCLOWUXBR-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF Clc1cccc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)c1Cl 587053643 HSSLVIVLZMOWCM-PKNBQFBNSA-N 343.257 5.919 0 1 EKAF CO/C=C(\C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096678 GHGYDWMEJRPANH-ACCUITESSA-N 329.399 5.070 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587172141 XENLXSODVWQLNP-CYBMUJFWSA-N 340.467 5.477 0 1 EKAF Cc1ccc(NC2(c3nc4ccc(Cl)c(C)c4[nH]3)CCCC2)cc1 587236604 BDZNFFNONUHOTJ-UHFFFAOYSA-N 339.870 5.715 0 1 EKAF COc1ccc(-c2ccc(-c3cc(=O)oc4ccccc34)s2)cc1 1857590835 QIPAYUHYFUIDML-UHFFFAOYSA-N 334.396 5.197 0 1 EKAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccc(O)cc12 1752672 LHGZNGWJOMYGDX-UHFFFAOYSA-N 346.308 5.208 0 1 EKAF C[C@@]1(c2ccccc2)OC(=O)[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]21 4005702 MULDAFDMOJEJEP-FPQOSCNCSA-N 336.475 5.382 0 1 EKAF O=C(O)CCCCCSc1ccc(CCCc2ccccc2)s1 13726583 RQWFQWMIKCRFCZ-UHFFFAOYSA-N 348.533 5.661 0 1 EKAF Clc1ccc([C@@H]2C[C@@H](N3CCCCC3)c3ccccc32)cc1Cl 29487711 QFYBAQPQINYSLW-FXAWDEMLSA-N 346.301 6.056 0 1 EKAF Clc1ccc(Cl)c(N2COc3ccc4ccccc4c3C2)c1 49111650 SXMRDMTTWYOCKL-UHFFFAOYSA-N 330.214 5.503 0 1 EKAF COc1ccc(-c2ccc3[nH]ccc(=Nc4ccccc4)c3c2)cc1 473122515 SUAINKJRVXZSBQ-UHFFFAOYSA-N 326.399 5.076 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897966 BWBADRONNLPNSQ-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1Cl 586899394 VMAWQSSTWZMSQT-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587015154 YWWYFADNWNPMSW-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF Cc1cc(C)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587062108 CAQMZDFNWQWIOB-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n1 587079534 IZFJNXQHXMCXCQ-SSDOTTSWSA-N 343.645 5.358 0 1 EKAF Cc1cc(F)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 587164767 WLZQJQLLFQNPPS-UHFFFAOYSA-N 326.371 5.545 0 1 EKAF Clc1ccc(Br)c(-c2cc3c4c(cccc4n2)CC3)c1 587207103 BGEPELFVFRLCSE-UHFFFAOYSA-N 344.639 5.416 0 1 EKAF c1ccc(COc2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587214900 WWDOQPPHKHBNRK-UHFFFAOYSA-N 337.422 5.579 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(C)(C)C)CC2=O 587486211 XCRHOZDQABXCOP-RXVVDRJESA-N 330.468 5.285 0 1 EKAF CC(C)(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534882 FQYMONLKKWOUTM-KRWDZBQOSA-N 341.476 5.026 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 587563794 APNJEKDLQYNRHO-UHFFFAOYSA-N 342.870 5.791 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587951849 IZOACGKQADNQNN-GUBZILKMSA-N 344.352 5.166 0 1 EKAF COc1cc2c3c(oc2cc1CC=C(C)C)-c1ccc(O)cc1OC3 2356565518 YVXWSOKFLPWKDX-UHFFFAOYSA-N 336.387 5.215 0 1 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]23Oc2cc(Cl)c(O)cc2C[C@]13C 2356857504 SJGGZNSVPHOEPD-SRXWUYEGSA-N 348.914 5.982 0 1 EKAF O=c1oc2ccccc2c2c1cc(-c1ccccc1)n2-c1ccccc1 26648993 XHHYEGBPQISUAX-UHFFFAOYSA-N 337.378 5.404 0 1 EKAF Fc1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28119545 JRCXDDVPFVHGRS-ZRZAMGCNSA-N 344.433 5.243 0 1 EKAF C[C@H](CCCc1ccccn1)NC1c2ccccc2Oc2ccccc21 28230739 PCHLBPYYANVUGJ-QGZVFWFLSA-N 344.458 5.278 0 1 EKAF COc1cccc(CCc2ccccc2OCc2ccccc2OC)c1 29134967 VXYWLCBZOSWOAJ-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF CC1(C)C=Cc2c(ccc3oc4cc(Br)ccc4c23)O1 66058803 GNCMSXNAHCQMSB-UHFFFAOYSA-N 329.193 5.533 0 1 EKAF c1ccc2c(-c3nc4ccccn4c3NC3CCCCC3)cccc2c1 95564277 RNSTUMXQZQZOIS-UHFFFAOYSA-N 341.458 5.899 0 1 EKAF N=C1Sc2cc(-c3cc4ccccc4s3)ccc2C2=NCCCN12 95573711 JOGORJLQJBRGNR-UHFFFAOYSA-N 349.484 5.061 0 1 EKAF CCCCC/C=C/C/C=C\C/C=C\CCCCCCCCC(=O)O 198625445 RILVNGKQIULBOQ-SAAUORLLSA-N 334.544 7.221 0 1 EKAF Fc1cnc(Cl)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587025730 NQCPQMPGLSOAMP-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(Cl)c2[nH]1 587070296 RPUCDEYAVGZDMP-SNVBAGLBSA-N 333.218 5.246 0 1 EKAF Cc1ccc2c3c(cc(C4C(C)(C)C4(C)C)nc13)-c1ccccc1C2=O 587099592 NZKDPMSZCZCBCR-UHFFFAOYSA-N 341.454 5.904 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587160820 HCJNQCDCDOCDEM-GHMZBOCLSA-N 338.279 5.131 0 1 EKAF O=C(c1ccsc1Br)c1coc2ccc(Cl)cc12 587279610 XPNXMHYOGZMAIR-UHFFFAOYSA-N 341.613 5.141 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccccc1-c1ccco1)NCC2 963105355 IQGDZDQZQSJYPQ-LJQANCHMSA-N 344.241 5.489 0 1 EKAF CC(C)[C@H]1C(=O)N(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857761484 PCTXSELXVWKARP-MRXNPFEDSA-N 344.867 5.030 0 1 EKAF CC(C)=CCCC(C)=CCc1c(C)cc(O)c2c1OC(C)(C)C=C2 2356561465 FBTFUGPYAYRHHG-UHFFFAOYSA-N 326.480 6.120 0 1 EKAF CC(=CCC[C@@]1(C)C=Cc2cc(O)c(C)cc2O1)CC(=O)CC(C)C 2356704611 AIFCJVAASWMODR-QFIPXVFZSA-N 342.479 5.597 0 1 EKAF C[C@H](Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 8860581 KQYCMTHDFZXIDG-KRWDZBQOSA-N 340.426 6.182 0 1 EKAF c1cc(-c2ccc(CNC3CC3)cc2)cc(-c2nc3ccccc3[nH]2)c1 45192493 QIWWJHMVCBTYCK-UHFFFAOYSA-N 339.442 5.149 0 1 EKAF COc1ccc2nc(SCc3cccc(-c4ccccc4)c3)[nH]c2c1 84619221 LISPYUNURYPUOP-UHFFFAOYSA-N 346.455 5.531 0 1 EKAF S=c1[nH]c2c(c(=S)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1)N2 103163691 IJJCBEWASPWVHH-CYBMUJFWSA-N 327.478 5.187 0 1 EKAF Cc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2n1 587074566 XKZSNSQDEJLBES-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587160339 BIXXSLZUYNVHBD-MOPGFXCFSA-N 344.389 5.765 0 1 EKAF Cc1cc(C)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 587161993 AMMIHUJFPBLSHD-UHFFFAOYSA-N 344.389 5.217 0 1 EKAF CC[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509106 XALLPPDBPLPDKL-NRFANRHFSA-N 342.385 5.114 0 1 EKAF CC(C)[C@@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521662 DATFRCDBUYEDDO-YADHBBJMSA-N 334.459 5.339 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2c1 587641880 KOXDVUMRNIKABN-HNNXBMFYSA-N 344.433 6.550 0 1 EKAF CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649987 UGWHFZOWGRGFQE-UHFFFAOYSA-N 347.867 5.015 0 1 EKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587968294 YUVINMZZPZPBHE-RKDXNWHRSA-N 330.737 5.185 0 1 EKAF Fc1cccc2c1[C@@H](CCCCOc1ccccc1)N1CCC[C@@H]1C2 963102834 GDSDUEPPSWEMGH-WIYYLYMNSA-N 339.454 5.137 0 1 EKAF CN(C/C=C/c1ccccc1C(F)(F)F)Cc1coc2ccccc12 1772586744 SFWNUVGZJFXWNB-SOFGYWHQSA-N 345.364 5.597 0 1 EKAF Clc1nc2ccccc2[nH]c1=Nc1ccc(Oc2ccccc2)cc1 1857591088 KVEXDAUCTWHGSO-UHFFFAOYSA-N 347.805 5.241 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc2c1[nH]c1cc(O)ccc12 1633858 SALFRFIYEMQASK-OVCLIPMQSA-N 349.474 6.276 0 1 EKAF CC(C)=CCC/C(C)=C/COC(=O)c1ccccc1NCC=C(C)C 15253700 VOFMHJHFICFREQ-XMHGGMMESA-N 341.495 5.914 0 1 EKAF biogenic,in-vitro N=C1CCCCCCCCCCCN1[C@H]1CCC[C@@H]1c1ccccc1 27299637 PHSYVYPNRCSHQN-YADHBBJMSA-N 340.555 6.517 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1C[C@H]1CCCCC(=O)O 27876811 DUTNGCOLYMDALQ-RWQXYJDPSA-N 330.512 6.463 0 1 EKAF CC1(C)CCC(C)(C)c2cc([C@@H]3C[C@H]3c3ccc(C(=O)O)cc3)ccc21 29327395 MTIYIBBJPCLFQW-OALUTQOASA-N 348.486 6.005 0 1 EKAF O=C(O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1 34432676 GOPACCJWLSLIKG-OVCLIPMQSA-N 334.415 5.256 0 1 EKAF COc1ccc(N(C)c2nc(-c3ccccc3)nc3ccsc23)cc1 40972838 INMJSDQFEIKNMM-UHFFFAOYSA-N 347.443 5.135 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2cccc(F)c2)cc1 95563725 LZQAJCOHWUOAEW-GMAHTHKFSA-N 349.493 5.917 0 1 EKAF COc1ccc2c(c1)sc1c(Nc3ccccc3Cl)ncnc12 95597215 CPEFTWDUUVVQAK-UHFFFAOYSA-N 341.823 5.250 0 1 EKAF Cc1ccsc1C1=NN[C@H](c2cc3cccc(C)c3nc2Cl)C1 103174957 JXMMZEZMTMGITF-AWEZNQCLSA-N 341.867 5.005 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586883160 HIKILCDKPHDKCU-UHFFFAOYSA-N 328.749 5.623 0 1 EKAF Cc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587049571 MXOJRAJBWUEVED-NEPJUHHUSA-N 331.246 5.758 0 1 EKAF CCc1ccc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587160054 DOQHRMINOIAWSC-UHFFFAOYSA-N 346.405 5.607 0 1 EKAF Cc1cccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247559 OVDHHTSWOZEGQM-UHFFFAOYSA-N 343.430 5.286 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 587536664 YYDKXIVKZZTLNS-LJQANCHMSA-N 348.467 5.795 0 1 EKAF CCCC/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816450 YGTGMGZLHOAYBQ-KBRJJWGESA-N 340.280 5.084 0 1 EKAF Fc1c(Cl)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1F 587950513 CIZADZZMYSBTHT-UHFFFAOYSA-N 334.753 5.093 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587950690 CAVYGABQUJUURF-FFSVYQOJSA-N 340.389 5.628 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)C1 587968968 JWOQTYLHJOTFDE-NXEZZACHSA-N 339.252 5.394 0 1 EKAF COc1c(C)c(OCC=C(C)CCC=C(C)C)cc2c1C(=O)O[C@H]2C 2356466304 AGNAQFYRVWHPDW-INIZCTEOSA-N 344.451 5.307 0 1 EKAF CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCCC2(C)C 3979057 PGIRHMOXRXNJAD-UHFFFAOYSA-N 328.496 5.807 0 1 EKAF COc1ccc(O)c2c1C[C@]1(C)[C@H](C)CC[C@H]3C(C)(C)CCC[C@@]31O2 14717792 AHDRBWCUVQGBTR-OVKIEXBXSA-N 344.495 5.337 0 1 EKAF biogenic Cc1cc(-c2cccc3c(Nc4ccc(F)cc4)c(N)sc23)ccn1 222843894 BCTKZVDXUAKZQY-UHFFFAOYSA-N 349.434 5.737 0 1 EKAF CC/C=C/C=C\C=C/C=C/CCCCCCCOC(=O)CC(C)C 238787394 MDNVKZNPVLCVQP-PCSGWALUSA-N 332.528 6.551 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3ccccc3cc2[nH]1 587061681 HJWINMCTJXTVKM-SFHVURJKSA-N 336.822 5.900 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587109775 ULOKIPQXAQNMOA-UHFFFAOYSA-N 349.114 5.695 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/c3cccs3)nc3cccc1c23 587207679 IQHPYVVUFZNCKZ-ZHACJKMWSA-N 339.419 5.678 0 1 EKAF Cc1c(C(=O)c2coc3ccc(Cl)cc23)cccc1C(F)(F)F 587278431 MXOSWQLOAIAOFI-UHFFFAOYSA-N 338.712 5.644 0 1 EKAF Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3cccc(F)c23)cc1 587634287 FXHLNXCHFPAVJE-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587967152 ICXXRLDMUZIUOW-XFFZJAGNSA-N 326.337 5.871 0 1 EKAF C[C@H]1CCCN(CCCCCCOc2ccc3ccccc3c2)C1 1857751624 GKQJPKKIDUHXHV-IBGZPJMESA-N 325.496 5.511 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@H]2[C@]1(C)CCC[C@@]2(C)CO 2356536509 MCTLHBSXZUSYKL-BHIFYINESA-N 348.527 5.191 0 1 EKAF CC(=O)O[C@@H]1C[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)CC=C(C)CCC=C1C 2356550771 LCCFAMBWEWEJKL-CZYKHXBRSA-N 348.527 5.188 0 1 EKAF C=C1OC(=O)C(CCCCCCC=CC=CC=CCCCC)=C1O 2356623955 PTYIAJIIGQFXSA-UHFFFAOYSA-N 330.468 6.068 0 1 EKAF CCCCc1c(-c2ccccc2)ncn1CCc1ccccc1OC 95565532 FSFOKSGDOFEFEQ-UHFFFAOYSA-N 334.463 5.144 0 3 EKAF CCc1c(-c2cccc(Cl)c2)ncn1CCc1ccccc1OC 198627009 VDJSVYVGUMVEBK-UHFFFAOYSA-N 340.854 5.017 0 3 EKAF C[C@@H](CCCc1ccoc1)CC(=O)C[C@@H](C)CCCc1ccoc1 13458757 GUCJAPKUQUQDNJ-ROUUACIJSA-N 330.468 5.840 0 1 EKAF biogenic Cc1cc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)cc1Cl 28765414 OZOSSRLMPVHTAO-UHFFFAOYSA-N 345.609 5.375 0 1 EKAF CCCCCc1cc2ccccc2nc1-c1cc(-c2ccccc2)no1 103251881 XTHHXKKPBDJKQA-UHFFFAOYSA-N 342.442 6.290 0 1 EKAF FC(F)(F)c1ccc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1 206100669 FOGXXQUNEUICRC-UHFFFAOYSA-N 339.320 5.311 0 1 EKAF Cc1ccc(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1 586964229 ZMOMEPPSYADYMF-UHFFFAOYSA-N 340.345 5.028 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402239 AUHIRYHNIGJPCG-VROYLXGSSA-N 341.495 5.774 0 1 EKAF CCCCc1oc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587413185 QMAPONCJKSIKAR-FQEVSTJZSA-N 349.430 5.373 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c12 587624552 LPRRHCDLCHUHEL-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)cc3)c2c1 587638299 FMVXTFVJBMFYPC-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N3CCCC[C@H]3CC)c2c1 587641946 IOHFHBAAIUVTTG-RHSMWYFYSA-N 326.484 5.395 0 1 EKAF Cc1ccccc1-c1cccc([C@@H]2NCCc3ccc(F)c(C)c32)c1 962293841 AFQVJUGBBCDGDD-QHCPKHFHSA-N 331.434 5.345 0 1 EKAF CC(=CCO)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCO 2356397209 JIYJKMAEDVTOQW-SBHAEUEKSA-N 326.565 5.727 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]2C1(C)C)C[C@@]45C 2356570581 OOFXFLVLGBRHBD-MDORDUQESA-N 330.512 5.207 0 1 EKAF CC(=O)O[C@H]1CCC(C)=CCCC(C)=CC=C(C(C)C)CC[C@H]1C 2356593507 MMNOSRQYAMPCGC-KNQAVFIVSA-N 332.528 6.383 0 1 EKAF CC[C@@H](C)CCc1c(C)c(O)c(NC(C)=O)c2c1[nH]c1ccccc12 13370223 BXGMJQBTYCHLLL-GFCCVEGCSA-N 338.451 5.272 0 1 EKAF biogenic CC(C)(C)c1cc(/C=C/c2ccc(Cl)s2)cc(C(C)(C)C)c1O 25990792 RLKISLJTVCVCFO-BQYQJAHWSA-N 348.939 6.873 0 1 EKAF CC1=C(Cc2cccc(C(=O)O)c2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 26168673 WJDIGJSHTANPRM-XMSQKQJNSA-N 342.479 5.576 0 1 EKAF Cc1ccc2c(c1)[C@H](OC1C[C@@H]3CC[C@H](C1)N3C)c1ccccc1C=C2 31555320 UOOYAPDETFUJIV-MAVPEBGTSA-N 345.486 5.210 0 1 EKAF biogenic CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1 40933733 AGBAPGBKYWFEAF-UHFFFAOYSA-N 325.500 5.176 0 1 EKAF CCc1cccc2c(OC)c(-c3occ(C)c3COC(C)=O)ccc12 66113473 CALPZPGHHJICGE-UHFFFAOYSA-N 338.403 5.042 0 1 EKAF CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759574 WVTWSEYVLQQVJY-UHFFFAOYSA-N 345.377 5.270 0 1 EKAF CC(C)/C=C\C[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636539 CNLCUGBJDBKIAL-FTFDVWOQSA-N 348.571 7.179 0 1 EKAF CC(=O)Nc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1 210974724 QOKXXEFEHLUFSU-UHFFFAOYSA-N 326.399 5.460 0 1 EKAF Cc1cc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c(C)n1 587047662 ACBIBNGWPZOMFE-WDEREUQCSA-N 332.234 5.153 0 1 EKAF O=C1c2ccccc2-c2c(C[C@H]3C[C@H]4CC[C@H]3C4)cnc3cccc1c23 587207925 OTEKVQUFIZSKRN-HRCADAONSA-N 339.438 5.425 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(Cc1ccc(C)cc1)CC2=O 587488635 JLOOWFSGBASBKW-QFIPXVFZSA-N 338.447 5.010 0 1 EKAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(Cl)cc3)[nH]c12 587624213 GDDLNEGXYCTZLR-UHFFFAOYSA-N 334.202 5.077 0 1 EKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2COc2ccccc2)cc1 587634491 HAEQIUQLVMPTDV-UHFFFAOYSA-N 335.353 5.692 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccnc3Cl)c2c1 587641194 LDAHPSKKUXQSFQ-NSHDSACASA-N 341.842 5.291 0 1 EKAF Cc1c(F)ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956212 OGYVBLOFBFSVMX-SFHVURJKSA-N 330.406 5.385 0 1 EKAF Cc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772649463 NPCAJOITPWOUPN-UHFFFAOYSA-N 335.476 5.500 0 1 EKAF CC(=O)O[C@@]1(C)CCC=C(C)CCC=C(C)CC[C@H]2C[C@H]1OC2(C)C 2356475524 HRFZOWPZDZLMRV-VWPQPMDRSA-N 348.527 5.739 0 1 EKAF CC(=CCCc1cocc1Cc1ccoc1)CCC[C@@H](C)CC(=O)O 2356530353 AUGJJCZFGQHVPY-QGZVFWFLSA-N 344.451 5.623 0 1 EKAF CCCCN(C)CCCCOc1ccccc1CCc1ccccc1 29484581 XBBMCTCKUJMMHS-UHFFFAOYSA-N 339.523 5.363 0 1 EKAF CC(C)(C)N[C@H](CCC1CCCCC1)C(=O)c1cccc(Cl)c1 45253643 VEOJUGKGLUEXTM-GOSISDBHSA-N 335.919 5.640 0 1 EKAF in-vitro CCOC(=O)c1c(-c2ccc(F)cc2)cc2c3ccccc3ccn12 73170218 ZFQRGWDHLBAAQG-UHFFFAOYSA-N 333.362 5.075 0 1 EKAF Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1 96173837 FZXIQDGQTINREM-UHFFFAOYSA-N 341.458 5.387 0 1 EKAF Cc1c2c(c3[nH]c4ccccc4c3c1O)[C@H]1C[C@](C)(CC[C@@H]1C(C)C)O2 238741492 BKSCKIKXMAQCCO-WREIHNQOSA-N 349.474 6.026 0 1 EKAF CC(C)(C)c1cc(CCC(=O)C(F)(F)F)cc(C(C)(C)C)c1O 299835593 WTHCFTMHPMRSMQ-UHFFFAOYSA-N 330.390 5.051 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892791 WOKACFXCTPHUQE-CPFSXVBKSA-N 347.178 5.248 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1 586897319 AGTZTBVQBIMXOG-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF CC1(C)COc2c(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cccc21 586912923 XYFBTUQTDJNXLT-UHFFFAOYSA-N 333.218 5.207 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(C)C)C4)-c1ccccc1C2=O 587102122 YNMBSGUQOSEHHR-AWEZNQCLSA-N 327.427 5.125 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587162116 CRIYLDCCKRXMSX-UHFFFAOYSA-N 344.389 5.217 0 1 EKAF Cc1cc(OCCc2c(C)nc3cccc4c3c2CC4)ccc1Cl 587208992 DTJWJGPSMYALJA-UHFFFAOYSA-N 337.850 5.225 0 1 EKAF Clc1sc(Cl)c2c1CCc1c-2nc2cccc3c2c1CC3 587360844 QETJZJSQLGDHPB-UHFFFAOYSA-N 332.255 5.467 0 1 EKAF CC1=CCCC(C)(C)[C@H]1CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404024 TVVNSICCNKEVBQ-HTAPYJJXSA-N 341.495 5.464 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](CC(C)C)C1)CC2=O 587477547 CVCSYHYFASHKQB-VFNWGFHPSA-N 330.468 5.285 0 1 EKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501647 BVZXAHGLQBTJPG-LJQANCHMSA-N 326.823 5.234 0 1 EKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520457 BYCLZWGSANFGRM-NRFANRHFSA-N 336.431 5.061 0 1 EKAF CC[C@@]1(c2cc(C)sc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587533497 WEFVUUMGZMEUDN-NRFANRHFSA-N 340.488 5.514 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 587563779 AOZHJZGQYVMJRJ-UHFFFAOYSA-N 346.833 5.622 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(OCc3ccccc3)c2c1 587641128 KHRNBAFBLNNEEE-CYBMUJFWSA-N 347.380 6.279 0 1 EKAF COc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1OC 587920272 GVWYBGMEAVOUOP-UHFFFAOYSA-N 331.824 5.148 0 1 EKAF CC1(C)[C@H]2c3c(CCc4ccccc4)cc(O)cc3O[C@@]3(C)CC[C@@H]1[C@H]23 1857635385 HEHNRIJVSOOMII-MWIHYIROSA-N 348.486 5.478 0 1 EKAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)cc(CCc5ccccc5)c4[C@@H]1[C@H]23 1857635386 HEHNRIJVSOOMII-QBTGUUFSSA-N 348.486 5.478 0 1 EKAF CO[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)c2ccc(C(C)C)cc21 2356322686 YAHULLSOKYPUCD-ZFMNYDKASA-N 330.468 5.050 0 1 EKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356478194 VNTGXCRNEJTLEX-HXWZHSPTSA-N 343.555 5.085 0 1 EKAF Cc1cc(O)cc(Oc2cc(C)c3c(c2)Oc2cccc4c2[C@H]3OC4)c1 2356797494 NZJGDFGCESSUML-QFIPXVFZSA-N 346.382 5.527 0 1 EKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1-c1cccs1 8690119 VFHKXQNXDPRMOS-UHFFFAOYSA-N 332.428 6.122 0 1 EKAF CO[C@@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27073523 AACVSEPXXNRBIR-LJQANCHMSA-N 341.838 5.652 0 1 EKAF c1ccc(-c2ccc(-c3c[nH]c(CCC4CCCCC4)n3)cc2)cc1 27105902 LDRZEBLJGQDJKH-UHFFFAOYSA-N 330.475 6.257 0 1 EKAF C[C@@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)C1CCCCC1 29558726 BQCAAQLKCYQZTH-VIZSFHNOSA-N 343.555 5.498 0 1 EKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C/COC)CC[C@@H]12 72105349 JOEMZQMSVDKUMG-KLDRVPDXSA-N 340.507 5.384 0 1 EKAF Cc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c(F)c1 72109051 NFWPGISCHCCXFX-QFIPXVFZSA-N 341.470 5.463 0 1 EKAF CC(=O)c1cccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)c1 82078232 LVXILOJJPASDCO-UHFFFAOYSA-N 327.387 5.176 0 1 EKAF FC(F)(F)c1ccccc1/C=C1\CCN2Cc3ccccc3N=C12 101010633 PEEOTUMYIQGPKP-SDNWHVSQSA-N 328.337 5.038 0 1 EKAF Cc1nc(Cl)c(-c2c(F)cccc2F)n1-c1ccc(Cl)cc1 115166736 ATMBWJXXSANGFZ-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144782466 UZWQTECTAXVVSH-SFHVURJKSA-N 336.353 5.034 0 1 EKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3cccc(C)c32)c1 205424383 MVKJQCMFKFYMSX-UHFFFAOYSA-N 340.492 5.518 0 1 EKAF CCc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1Br 586977414 NNCPEGRKHRWEOE-UHFFFAOYSA-N 333.204 5.002 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccn3)nc3cccc1c23 587104218 QGUHGIDBMOACBM-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](c3ccccc3)C1)CC2=O 587485329 UPHZUNWCJQTUOI-KSFYIVLOSA-N 336.431 5.016 0 1 EKAF Cc1cccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587521906 DFYRTMNZAJUJRY-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF c1ccc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)cc1 653758648 MZOSBEPHUOWRBF-UHFFFAOYSA-N 327.431 5.757 0 1 EKAF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@@H]2O1)CC 2356386550 MRLHJEHWGDONOP-BZNRXQDOSA-N 348.527 5.739 0 1 EKAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)CCC[C@]21C 2356733637 LMNZSAWWQSPBNF-DENIHFKCSA-N 328.496 5.515 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1 3746067 SXYZSEBBAWAKQU-GFCCVEGCSA-N 325.383 5.115 0 1 EKAF Cc1c(C(C)C)noc1NC(=O)Nc1cccc(Cl)c1Cl 3834018 ADYSYJCZDUMAIZ-UHFFFAOYSA-N 328.199 5.057 0 1 EKAF Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 8536625 JHSPKBWIYMIFKX-UHFFFAOYSA-N 331.806 5.459 0 1 EKAF Cc1cccc(-n2s/c(=N\c3ccccc3)nc2-c2ccccc2)c1 13609583 AHYZUDCRKGXKRP-DQRAZIAOSA-N 343.455 5.142 0 1 EKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C 26382493 FOQPVSQLQDGLCS-SJORKVTESA-N 332.459 5.685 0 1 EKAF CSc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@H]3C2)cc1 29400615 GLMLLAFWCIQJNH-SFHVURJKSA-N 349.499 5.022 0 1 EKAF COc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 72110035 DAIMPQROONYPRP-QFIPXVFZSA-N 339.479 5.024 0 1 EKAF Cc1cccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)c1 96923871 SAVNTIGFSBRMSL-UHFFFAOYSA-N 329.378 5.253 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCF 169357894 DOGHEWWVBBVYEY-AVHBIOJASA-N 349.534 6.218 0 1 EKAF c1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)cc1 299825002 UKRYRJUXIHQYSC-UHFFFAOYSA-N 341.435 6.037 0 1 EKAF CCc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242129 HIHMHURYJWSRRG-UHFFFAOYSA-N 329.403 5.242 0 1 EKAF O=C(c1ccc(-c2ccccc2)cc1)c1coc2ccc(Cl)cc12 587277778 BKYOUXREHVIHMZ-UHFFFAOYSA-N 332.786 5.984 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccccc3)c1)O2 587403411 LVEADJQBKCULDF-OAQYLSRUSA-N 345.398 5.076 0 1 EKAF CC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504687 XQADHRBOIAEGAM-OAQYLSRUSA-N 340.850 5.490 0 1 EKAF COc1cccc(C)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587787526 WWUHYURDBNKXGU-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C)c(Cl)cc2[nH]1 587927305 ONGHLPIQAISVMP-ZDUSSCGKSA-N 344.842 5.084 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587952905 XSHXXNBVCKFMSR-NHCYSSNCSA-N 342.270 5.311 0 1 EKAF CC(C)(C)c1ccc([C@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1 61904014 KAIRZPMRXDXOLY-SFHVURJKSA-N 340.854 5.109 0 3 EKAF CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21 13738227 BFTXVLUTUUBYLQ-UHFFFAOYSA-N 327.471 5.644 0 1 EKAF C=C(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28765458 WSJCEFBEHAVGML-UHFFFAOYSA-N 345.229 5.288 0 1 EKAF CN[C@@H]1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29487705 YDABULYRFHFFMF-CZUORRHYSA-N 325.761 5.155 0 1 EKAF O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCC1 40864916 SHCCAWPJUOKXHX-UHFFFAOYSA-N 331.419 5.107 0 1 EKAF Cc1ccc(-c2cc(-c3ccsc3)nc(-c3sccc3C)c2)o1 45339021 RTPPFPANRUJCKD-UHFFFAOYSA-N 337.469 6.415 0 1 EKAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 84672336 DFXPIMWGGIKCJK-YHDSQAASSA-N 344.539 5.993 0 1 EKAF CCCSc1nc2nc3c(c(N)c2s1)[C@H]1CC(CC)=C[C@H](C3)C1 100092962 WFTCUZBQYUOPNQ-RYUDHWBXSA-N 345.537 5.162 0 1 EKAF CC1(C)[C@H]2CC[C@@]1(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)C2 100795967 XLXBFPDBOJGPBC-SBUREZEXSA-N 334.459 5.746 0 1 EKAF COC(=O)c1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1 196440792 SKYPGDVIZSGMJH-UHFFFAOYSA-N 327.383 5.289 0 1 EKAF Oc1cccc(CCCCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586896024 GFGNGSZXEYTFBX-UHFFFAOYSA-N 335.234 5.141 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(F)c(F)cc2[nH]1 586971515 SZVKDVKWSVGVFG-UHFFFAOYSA-N 331.204 5.032 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(C)cc(F)c4[nH]3)cs2)cc1 587016509 XFJVVGUWHQORFF-UHFFFAOYSA-N 337.423 5.363 0 1 EKAF C[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)c1ccccc1C(F)(F)F 587097452 IAOABJOQQZANDX-GFCCVEGCSA-N 346.396 6.031 0 1 EKAF CCCC/C=C\CCCCCCCCc1cnc2cccc3c2c1CC3 587213588 KRFKVIHZASJJTC-WAYWQWQTSA-N 349.562 7.353 0 1 EKAF O=C(c1ccc(C(F)(F)F)cc1F)c1coc2ccc(Cl)cc12 587279193 YALJAGWNSHVNAY-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@H](C)CC)CC2=O 587485289 UMYHNDDQEZDQFR-DAESXHAQSA-N 330.468 5.285 0 1 EKAF O=C1C[C@]2(CC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528221 YZGIILFYWMZOPT-FDDCHVKYSA-N 332.443 5.237 0 1 EKAF CCC[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814830 VZJHTFYJYZIYOP-SJKOYZFVSA-N 342.296 5.164 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3cc(C(F)(F)F)ccc3F)n1)O2 587873445 BSQRFZPXHMPKTQ-UHFFFAOYSA-N 338.235 4.942 0 1 EKAF COc1ccc(OCc2nc(-c3ccc(C)c(C)c3)cs2)cc1 587921394 XRGLZETYJUURJQ-UHFFFAOYSA-N 325.433 5.015 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(C)c(Br)cc2[nH]1 587969413 SCORDEMRQCRPKW-WQLSENKSSA-N 333.273 5.784 0 1 EKAF Cn1c([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc2ccccc21 962669233 OWRLTVSXIPHSCY-DEOSSOPVSA-N 338.454 5.080 0 1 EKAF COC(=O)[C@@H]1CCC[C@@H]2[C@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 2356584895 WRHCVRFRGNAASQ-APOUVHJUSA-N 332.484 5.244 0 1 EKAF CC(C)CCC[C@](C)(O)C[C@H](O)C[C@@H](C)CCCCC1=CCCC1 13375176 GIZMJTQBWMNAQS-NNWRFLSQSA-N 338.576 6.012 0 1 EKAF biogenic CC(C)(C)c1cc(Nc2ccccc2C(=O)O)cc2c1OCC2(C)C 13781013 VAMTWVNBDCAGTA-UHFFFAOYSA-N 339.435 5.096 0 1 EKAF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)[C@@]2(C)CCCC=C12 14946928 PFMMKGGPOLDMEE-XTRPCLRFSA-N 344.583 6.507 0 1 EKAF CO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45367026 AHBQLGGDXGWTBF-HZPDHXFCSA-N 338.904 5.263 0 1 EKAF COc1cccc([C@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)c1 71334318 AKYFNSVXHCHDLU-HSZRJFAPSA-N 342.442 5.402 0 1 EKAF CN(CCc1ccccc1)Cc1coc(-c2cccc3ccccc23)n1 72182483 OSKJULVBPCCUBI-UHFFFAOYSA-N 342.442 5.169 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 77948829 FKNZCFYWNHCQGE-JISJLREOSA-N 349.518 5.687 0 1 EKAF N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247454 WQGFDNQDRNGXFO-FHOPOIAVSA-N 336.454 5.055 0 1 EKAF COC(=O)/C=C(C)/C=C/C(F)=C(C)/C=C/C1=C(C)CCCC1(C)C 169317423 MEIAWAWSYIBSKH-PVKAPKHISA-N 332.459 5.988 0 1 EKAF O=NCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 169719095 GMDLYFPQUQPBDK-UHFFFAOYSA-N 340.386 5.072 0 1 EKAF c1ccc(COc2cccc3[nH]c(-c4cc5c(s4)CCC5)nc23)cc1 587036491 CRUJAXSMZTWGIA-UHFFFAOYSA-N 346.455 5.359 0 1 EKAF Fc1ccccc1Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587214050 VNUVGRSALFIZIW-UHFFFAOYSA-N 341.385 5.932 0 1 EKAF CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc21 587214576 VBGTVBGIUAMYIW-UHFFFAOYSA-N 347.461 6.307 0 1 EKAF CCCCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524548 OIQDSVYHSOYZCK-DEOSSOPVSA-N 348.486 5.789 0 1 EKAF C[C@]1(c2cccc3ccsc23)CC(=O)c2ccc3c(c2O1)CCCC3 587535627 NAABSMWWHCBZAG-JOCHJYFZSA-N 348.467 5.661 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCCC2)N1 587819281 LPFYDVXFPAPQIQ-APPDUMDISA-N 340.280 5.134 0 1 EKAF CC(C)C[C@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1 1772571669 RATRWXQTMWKSPA-SFHVURJKSA-N 334.488 5.346 0 1 EKAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)CC[C@H]1[C@@H](C)CCC=C(C)C 2356377902 OTJQNVRXLNWAOT-GUGJDKNPSA-N 348.527 5.354 0 1 EKAF CC(C)=CCC[C@H](C)C=Cc1c(O)c(C)cc2c1[nH]c1ccccc12 2356618014 AFFKSIAKZKNCNU-INIZCTEOSA-N 333.475 6.731 0 1 EKAF O=C(Nc1cccc2ccccc12)Oc1ccccc1C1CCCCC1 1617598 KNNNLPBMBXPXKW-UHFFFAOYSA-N 345.442 6.498 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 13829935 IRFOEHYGMSKERJ-JSOTWZDUSA-N 349.449 5.046 0 1 EKAF CCC(CC)COc1ccc([C@@H](CC(=O)O)c2ccccc2)cc1 14978871 VYGVLDBVEDZHAD-FQEVSTJZSA-N 326.436 5.108 0 1 EKAF Cc1ccc(O[C@@H](CCCn2ccnc2)c2ccc(Cl)cc2)cc1 40894169 KBNCKPRDWIIYJU-FQEVSTJZSA-N 340.854 5.445 0 1 EKAF COC(=O)/C(C)=C(O)/C=C/C=C/C(C)=C/C=C/C=C/c1ccccc1 238741742 IGDYHMRRTTXPCY-YDKCZJGTSA-N 336.431 5.320 0 1 EKAF CC/C=C\C=C\C=C/C=C/CCCCCCCCOC(=O)CC(C)C 238785284 QVLFQVORFCICKZ-JNLIAWSNSA-N 346.555 6.941 0 1 EKAF CCCCCc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099698 SMVOYATUTWDOAM-UHFFFAOYSA-N 329.443 5.796 0 1 EKAF COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1C 587145901 VGPDUYLSTLTOEM-UHFFFAOYSA-N 346.405 5.277 0 1 EKAF Cc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149857 NRDDQKISFPVAGE-FQEVSTJZSA-N 331.394 5.212 0 1 EKAF CC(C)COC1=C[C@]2(CCC1)CC(=O)c1ccc3c(c1O2)CCCC3 587520418 ATSSHCOFRAYWLG-JOCHJYFZSA-N 340.463 5.010 0 1 EKAF C/C(=C\c1nc2cc(Br)c(F)cc2[nH]1)C1CCCCC1 587967139 HQGGPFUWJYGXBP-JXMROGBWSA-N 337.236 5.448 0 1 EKAF CCCN1[C@H](c2ccc(-c3ccsc3)o2)c2ccccc2C[C@H]1C 963228604 MBYZFMIUHDFCIJ-VFNWGFHPSA-N 337.488 5.754 0 1 EKAF C[C@H]1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3[C@@H](C)[C@@H]12 1772615591 MWEAKHOVJKHXJC-RLHIPHHXSA-N 335.447 5.718 0 1 EKAF CCC=C(c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1 1857562668 WSICPZVXIGSDQT-UHFFFAOYSA-N 338.838 5.415 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@H]2[C@@](C)(O)C1 2356392676 LQNQQEXNXLBURL-YXIAPDDASA-N 348.527 5.188 0 1 EKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](C)[C@H](O)[C@@H]4C[C@]43CC[C@]12C 2356726895 ACKTWDWKZZRKCJ-CNQZXYAUSA-N 344.583 6.218 0 1 EKAF Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1 4258361 GFAMVEXIOQUVBP-UHFFFAOYSA-N 332.794 5.089 0 1 EKAF C[C@H](C(=O)O)c1ccc(-c2ccc(OC3CCCCC3)cc2)c(F)c1 13672513 JSVKMROCBOUOTF-AWEZNQCLSA-N 342.410 5.392 0 1 EKAF C1=C(c2ccccc2)CCC[C@@H]1CN1CC=C(c2ccccc2)CC1 13738837 JWVXDQBQUCCGDC-FQEVSTJZSA-N 329.487 5.659 0 1 EKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(C(C)(C)C)cc1 34121229 MBFIPZYGAXBFHO-GOSISDBHSA-N 331.503 6.330 0 1 EKAF CC1=C[C@@H](c2ccccc2)[C@](C)(/C=C(\C)C(=O)O)[C@@H]2[C@H](C)C[C@@H](C)[C@@H]12 40431059 HIANYLYHDLQNBW-WWMAJCOWSA-N 338.491 5.676 0 1 EKAF CC1(C)CC2=NN=C(c3ccccc3)C[C@@H](c3ccccc3)C2=C(O)C1 104047517 KJHKOHCCMRFGHF-SFHVURJKSA-N 344.458 5.651 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@H]2CC[C@H]1N2C 253898163 QRTMYRXFCOZLFS-VMBXEPDQSA-N 327.512 5.136 0 1 EKAF Clc1ccc(-c2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1 473152181 SLICSTQQGKZFMD-UHFFFAOYSA-N 345.254 5.723 0 1 EKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ccccc4[nH]3)c21 587031442 RWGUREMJQGTHKE-ZDUSSCGKSA-N 333.460 5.522 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)cc(C)c2[nH]1 587066445 NSWASLCXCMVLEP-LLVKDONJSA-N 335.234 5.627 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587108552 AVYMJCKICNJHNK-UHFFFAOYSA-N 349.114 5.695 0 1 EKAF Cc1c(Br)ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587150792 UBYQDTJNHVCVLH-XVNBXDOJSA-N 349.178 5.082 0 1 EKAF Clc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208518 SOTUDHIXDPEROY-UHFFFAOYSA-N 344.639 5.416 0 1 EKAF CC(C)c1[nH]c2cc(F)ccc2c1-c1ccccc1Br 587632997 VIICPTUGSGFESR-UHFFFAOYSA-N 332.216 5.860 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C3CC3)c(NC(=O)OC(C)(C)C)c2c1 587642539 MGZPSLUNXKAHRX-LBPRGKRZSA-N 328.456 5.906 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587951846 IZOACGKQADNQNN-AEJSXWLSSA-N 344.352 5.166 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(Cc2ccccc2)[nH]1 963245090 ZDTWYMYSLJREAR-MHECFPHRSA-N 344.502 5.352 0 1 EKAF CCCc1c(-c2cccc(Cl)c2)ncn1Cc1ccccc1OC 95564680 NKODGEKSNDUJPQ-UHFFFAOYSA-N 340.854 5.213 0 3 EKAF c1coc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1 199372407 ACJLUDPBQZGSGR-UHFFFAOYSA-N 330.412 5.400 0 3 EKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CCC[C@@H]2/C=C/c1ccccc1C(=O)O 29388709 LNLSVAZYFBDZJU-QWSKSBCWSA-N 342.479 5.002 0 1 EKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3ccc(F)cc3)n2)CC(C)(C)C1 82068834 HOVMFORTAOILDW-UKRRQHHQSA-N 329.419 5.035 0 1 EKAF CCCCC1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 586892151 UPHHCCVRLMZEDZ-UHFFFAOYSA-N 340.389 5.926 0 1 EKAF Cc1ccc2c(c1O)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587206736 MCYNKWQRNKAQQX-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1F 587210166 HWNLIGSQYHPOJS-UHFFFAOYSA-N 339.413 6.115 0 1 EKAF Fc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587213931 SZFDMXXPMADHAF-UHFFFAOYSA-N 341.385 5.932 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C)c3ccccc31)CC2=O 587486902 XLBHJJUVGWCPCU-PEBXRYMYSA-N 336.431 5.103 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C)cc1C)CC2=O 587488718 LKFVMCKOCTZQDJ-JOCHJYFZSA-N 338.447 5.232 0 1 EKAF CCn1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587516937 XTODCOOBKPVIPY-QFIPXVFZSA-N 345.442 5.247 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(F)cc2)n1 653778406 NBSQXLATSRVJRL-LJQANCHMSA-N 333.410 5.081 0 1 EKAF Cc1cccc(N(C)C(=O)c2ccc(Oc3ccccc3C)cc2)c1 653795640 JWPYTLHEOQRYOG-UHFFFAOYSA-N 331.415 5.372 0 1 EKAF CCCC=CCC=CCCCCCCCc1cc(O)c(C)c(O)c1 2356583094 IZGYQWUVUWZOPQ-UHFFFAOYSA-N 330.512 6.592 0 1 EKAF CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 61949087 SRCISEGAWUDSBD-UHFFFAOYSA-N 337.467 5.408 0 3 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC 13761100 DCUXLBLUWUQKFU-GKFVBPDJSA-N 331.544 6.268 0 1 EKAF Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27718293 LNMRMFNBFNYCEK-UHFFFAOYSA-N 328.390 5.858 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCF)cc1OC2(C)C 27751076 YMYYGMHEAJZHFP-UUOJUMCQSA-N 344.470 5.852 0 1 EKAF Fc1ccc(COc2ccc([C@@H](OCC3CC3)C3CC3)cc2)cc1 28527872 DKZFOLWEJZIHBU-NRFANRHFSA-N 326.411 5.282 0 1 EKAF CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 40972803 DUBUGSKBMMXSOU-UHFFFAOYSA-N 327.427 5.744 0 1 EKAF in-vivo CCOC(=O)c1ccc(OC[C@@H](Cc2ccccc2)CC(C)C)cc1 103180399 IULNUIRKBPGZSM-LJQANCHMSA-N 340.463 5.147 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\CN=O 169684362 JBSOEEVELDJWHD-WLJXBXSASA-N 329.484 5.003 0 1 EKAF CC(C)(C)C1=NN(c2cccc(Cl)c2)[C@@H](c2ccc(O)cc2)C1 299833006 UVULQEGKVBQQLI-QGZVFWFLSA-N 328.843 5.399 0 1 EKAF CC(C)Cc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586991538 NYPAGQCWRPALDO-UHFFFAOYSA-N 345.442 5.474 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@@H](C)CC4)-c1ccccc1C2=O 587100393 ISIBAGVQHHNNEW-GXTWGEPZSA-N 327.427 5.440 0 1 EKAF Cc1cc(Br)c(-c2nc3cccc(Cl)c3[nH]2)cc1F 587137799 LUGRLNWJGCPCBE-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](c1ccccc1)C3 587208416 WAQMKXGSNSVJIY-MRXNPFEDSA-N 347.417 5.329 0 1 EKAF O=C1C[C@@]2(CC[C@@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587527365 UGJFIRPLWWIPLR-UUOWRZLLSA-N 346.470 5.312 0 1 EKAF Cc1cc(Cl)cc2c([C@@H](C)C(=O)O)c(-c3cccc(F)c3)[nH]c12 587624973 XSENBKZOSOEXHE-SNVBAGLBSA-N 331.774 5.124 0 1 EKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccncn2)cc1 587626804 WYFKOJVPBNYUIP-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cccc(F)c12 587632099 FSQBZEDSHVEMMP-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3F)c(C)c2c1 587639838 DUAWRDXRQQNHOQ-NSHDSACASA-N 349.371 6.815 0 1 EKAF Fc1cccc(Cl)c1Cc1nc(-c2cccc(Cl)c2)cs1 587920953 RTQMQTLPPBFHDN-UHFFFAOYSA-N 338.234 5.847 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC(=O)OC 14591165 IOOSSZGDUSBSRF-OAQYLSRUSA-N 340.592 7.447 0 1 EKAF biogenic C/C(=C\C(=O)OCc1ccoc1)CC/C=C(\C)CC(=O)CC(C)C 85948978 MDTMZPYAXNHSOT-ZRUMGPRBSA-N 332.440 5.001 0 1 EKAF O=C1CS[C@H](c2ccccc2)N1c1ccc(-c2ccccc2)cc1 95785014 GZHOQQHMOFEXET-OAQYLSRUSA-N 331.440 5.132 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(=C1c3ccccc3CSc3ccccc31)C2 100529689 JOQKFRLFXDPXHX-QZTJIDSGSA-N 333.500 5.351 0 1 EKAF in-man CC1(C)CCC[C@]2(C)[C@H]1CC[C@]1(C)OCc3c(O)ccc(O)c3C[C@H]12 238757157 BRWDZWVXKDCZIO-MPJJRAAHSA-N 344.495 5.172 0 1 EKAF CC1(C)[C@H]2CC[C@H]3n4c(cc5ccccc54)C[C@@]3(C)[C@]2(C)CC[C@H]1O 238775952 LXDQTTNJDBZTFG-SDHKCTLJSA-N 337.507 5.342 0 1 EKAF CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2Cc2cc3ccccc3n21 238782247 FTYDACQRNQFAGR-NDHNYZRRSA-N 337.507 5.126 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cccc(C(F)(F)F)c2[nH]1 586904080 QPJKZFSVQNGVOI-UHFFFAOYSA-N 330.309 5.557 0 1 EKAF Fc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1F 587053268 AXZZFNKTEYASNP-SNAWJCMRSA-N 325.145 5.318 0 1 EKAF [C-]#[N+]c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097783 KKSKGDMKPAKFSV-UHFFFAOYSA-N 346.389 5.972 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4C(C)C)-c1ccccc1C2=O 587100321 GHCMHPVEHPPCKU-OAHLLOKOSA-N 341.454 5.831 0 1 EKAF Fc1cc(F)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145945 WKHXBBJZGLZTFN-UHFFFAOYSA-N 338.332 5.238 0 1 EKAF Cc1c(Cl)ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c12 587170102 IMUDZHNFQHWMIS-SNVBAGLBSA-N 334.847 5.560 0 1 EKAF CCCC[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207494 LRXWEAKIQLRSCX-AWEZNQCLSA-N 327.427 5.666 0 1 EKAF CC(C)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208403 VLXFJRPAPHTNMU-CQSZACIVSA-N 327.427 5.522 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C1CCCC1)CC2=O 587480391 JVAZSSNMNCNMCJ-UTKZUKDTSA-N 328.452 5.039 0 1 EKAF CC[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526122 PTEONJXIAGIKKQ-QHCPKHFHSA-N 345.442 5.317 0 1 EKAF O=C1C[C@@]2(C[C@@H]3CCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587529119 JJFDTGREVXAVAO-BXKMTCNYSA-N 344.454 5.250 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C)c3C)c2c1 587643865 YDFSHAOXJOZMIG-ZDUSSCGKSA-N 334.463 5.859 0 1 EKAF Cc1ccc(-c2csc(COc3ccc(F)cc3F)n2)cc1C 587921103 SORFKVYAFKUBEX-UHFFFAOYSA-N 331.387 5.284 0 1 EKAF O=C1OCc2cc(-c3ccc(-c4cccc(Cl)c4)s3)ccc21 653689970 HRJSSDVVADUXFO-UHFFFAOYSA-N 326.804 5.406 0 1 EKAF CC(C)(C)[C@]1(c2ccccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963115886 WGCVUBOJTDSNJB-HTAPYJJXSA-N 341.445 5.275 0 1 EKAF CCCCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1 1772620323 GGJMSWYYQFRHNN-UHFFFAOYSA-N 338.472 5.874 0 1 EKAF Fc1ccc(CCCCN2[C@H]3CC[C@@H]2Cc2[nH]c4ccccc4c23)cc1 13861330 TYLIVIWKWHWCFT-GCJKJVERSA-N 348.465 5.392 0 1 EKAF CC(=C[C@]1(C)[C@H](c2ccccc2)C=C(C)[C@@H]2[C@H](C)C[C@@H](C)[C@H]21)C(=O)O 14615376 HIANYLYHDLQNBW-CFXBDUIKSA-N 338.491 5.676 0 1 EKAF biogenic CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3 24611193 GVOMUZMTQPGWTA-UHFFFAOYSA-N 340.264 5.628 0 1 EKAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCF)=N1 26571291 QLTAIOOHAKTGAL-SSZFMOIBSA-N 341.430 5.290 0 1 EKAF CC/C=C\C[C@@H]1O[C@@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 34961937 XLYRHVKBJYDBOS-DWQDBCEISA-N 342.479 5.536 0 1 EKAF C[C@]12C[C@@H]3[C@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)C3(F)F 40413893 QGAILKCFRPVGCF-WIRWPRASSA-N 338.482 5.271 0 1 EKAF Fc1cccc(F)c1[C@@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23 45370741 CSKRTUCUHUBPBR-LJQANCHMSA-N 333.341 5.023 0 1 EKAF Cc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c2c1OC(C)(C)C=C2 84670879 XXJKHGCPQSVPCM-UHFFFAOYSA-N 345.442 5.998 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(C(C)(C)C)cc2)c1 84742310 ZAXOAIRBEHYNES-UHFFFAOYSA-N 325.452 6.027 0 1 EKAF Fc1ccc2[nH]c(-c3cc4ccc(Br)cc4[nH]3)cc2c1 103259943 BJUNKDNHYYOTKZ-UHFFFAOYSA-N 329.172 5.218 0 1 EKAF OC1=C2C(=Nc3[nH]nc(-c4ccccc4)c3[C@@H]2c2cccs2)CCC1 103564021 PLSTYWVXTHOIEA-QGZVFWFLSA-N 347.443 5.352 0 1 EKAF CCCCC/C=C\CCCCCCCCCCc1cc(O)cc(O)c1 138841131 HUHFXXDYKXJMCS-SREVYHEPSA-N 346.555 7.288 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 299808425 SOAIWELMVRCOAD-VSVJCKIPSA-N 346.511 5.252 0 1 EKAF C[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587098347 QNPXEBNCLSGKBE-SSDOTTSWSA-N 344.258 5.151 0 1 EKAF c1ccc(Sc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587216913 QLLGHEZLXMQVFG-UHFFFAOYSA-N 339.463 6.152 0 1 EKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587241791 JMOIDJAWLTYXSC-UHFFFAOYSA-N 347.462 5.093 0 1 EKAF O=C1C[C@]2(CCCC[C@H]2c2ccoc2)Oc2c1ccc1c2CCCC1 587531872 IKNRXTCQVXHZMO-UGKGYDQZSA-N 336.431 5.220 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2c(C)cc(Cl)cc12 587624669 QZBRJCASOSIALA-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF CCN(C(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12)c1ccccc1C 587630254 HZJDJYXCNCZVAE-UHFFFAOYSA-N 344.817 5.244 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C(=O)O)ccc3F)c(C)c2c1 587643465 URFRKZIRCQKPBE-LLVKDONJSA-N 325.383 5.494 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccn3)c(-c3ccccc3)c2c1 587644559 ZTQLHJNAYVYCAJ-MRXNPFEDSA-N 326.443 6.410 0 1 EKAF CC(C)Oc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cn1 587920392 JGFFVJLJPTURGL-UHFFFAOYSA-N 330.840 5.313 0 1 EKAF Brc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587968660 NCZPAADUPIXHAJ-DHZHZOJOSA-N 349.231 5.649 0 1 EKAF COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)ccc3n2)c1 1857551297 FVKJGHXZHOGCGZ-UHFFFAOYSA-N 334.806 5.330 0 1 EKAF CCCCCC[C@@H](CC=CCCCCCCCC(=O)O)OC(C)=O 2356536645 OZNJPDLVWMTLKB-IBGZPJMESA-N 340.504 5.650 0 1 EKAF CCCC=CC1(C=C2C(=O)O[C@@H](CC)[C@@H]2O)CCCCCCCC1 2356722590 LAVVTAFRFZNUBP-RBUKOAKNSA-N 334.500 5.086 0 1 EKAF COc1ccccc1Cc1c(-c2ccccc2)nc2ccc(Cl)cn12 72134954 VQSVCHCLHCICLZ-UHFFFAOYSA-N 348.833 5.254 0 3 EKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1 4791 HTFDXILAZBGPEJ-UHFFFAOYSA-N 346.459 5.511 0 1 EKAF Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1 3815311 RFZCRPOSLBJMCF-UHFFFAOYSA-N 334.810 5.330 0 1 EKAF CCCN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 33646695 UNPUENRRHPSMBA-PSWAGMNNSA-N 335.535 5.885 0 1 EKAF CC(C)Oc1ccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)cc1 82082645 WALMHZBRFKGHPH-UHFFFAOYSA-N 349.459 5.822 0 1 EKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2cccc(O)c2)CCC1 104052662 RTTYAUKUOBYVCW-FQEVSTJZSA-N 342.398 5.154 0 1 EKAF Clc1cc(Cl)c2[nH]c(CSCc3ccsc3)nc2c1 587024614 BPTZQPOGTWNEIP-UHFFFAOYSA-N 329.277 5.365 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]41)-c1ccccc1C2=O 587100585 LLUHGCXYQLNLJS-RPLLJCPNSA-N 337.422 5.365 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](F)C3)c1 587361083 VUHNBOKSCBYDST-CQSZACIVSA-N 347.389 5.483 0 1 EKAF CC(C)(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587521759 GBSDBZCALDWXIB-DEOSSOPVSA-N 348.486 5.657 0 1 EKAF CCC[C@]1([C@@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587815071 XUTGALMOHHEENX-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2ccc(Br)c(C)c2[nH]1 587955338 NMRLQQQWASRQIG-UHFFFAOYSA-N 343.268 5.268 0 1 EKAF CC1=CC[C@@H](OC(=O)c2ccccc2)C(C)=C[C@@H](O)C(C)(C)CCC1 2356387858 JRSLQKPYZJDQRG-WOJBJXKFSA-N 342.479 5.066 0 1 EKAF C[C@](O)(c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61906920 QCGYRYRTHMDUKR-KRWDZBQOSA-N 349.377 5.085 0 3 EKAF Cn1cc(-c2csc(-c3cn(C)c4ccccc34)n2)c2ccccc21 1863765 HYQSUQWRBUUGKP-UHFFFAOYSA-N 343.455 5.461 0 1 EKAF COC(=O)[C@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 13672546 BPJGJYZAZXFYLC-SECBINFHSA-N 327.182 5.076 0 1 EKAF CC[C@H](C)c1ccc(N(Cc2ccc(C(C)(C)C)cc2)C(=N)N)cc1 13780672 PCNGUPKDPXYTLZ-INIZCTEOSA-N 337.511 5.398 0 1 EKAF CC(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3ccccc3c2)c1 95577642 NZFZDMBBROWZBS-UHFFFAOYSA-N 346.474 6.020 0 1 EKAF Cc1cc2c3ccccc3n3c2c2c1O[C@]1(C)CC[C@H]([C@@H]2C1)C3(C)C 100772986 YPSWCORASQDCJM-YGKZAACZSA-N 331.459 5.886 0 1 EKAF endogenous,in-man CO[C@@H](CCN(Cc1ccccc1)C(C)C)c1ccc2ccccc2c1 145196950 UTCVPZGLLNXLLM-DEOSSOPVSA-N 347.502 5.828 0 1 EKAF CCCC/C=C/CCCCCCCCCCCCCCOC(C)=O 238736205 GWNRZLCMKVGFLN-VOTSOKGWSA-N 338.576 7.367 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)cc(F)c2[nH]1 586878051 AONDGZHBACTRER-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(F)F)C4)-c1ccccc1C2=O 586994846 FLZRUNSHBZMKSF-LBPRGKRZSA-N 349.380 5.125 0 1 EKAF O=C1C[C@@H](c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587509721 WJMKYYFJAXLSGP-SFHVURJKSA-N 347.241 5.579 0 1 EKAF Cc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)[nH]c2c1 587527293 UPTJTTWLMFLRRV-OAQYLSRUSA-N 345.442 5.370 0 1 EKAF CCc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)s1 587633355 BBFUOWUTYWSXEK-UHFFFAOYSA-N 341.329 5.343 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCC2)N1 587817033 HKDVPFJXSVQOLZ-GFCCVEGCSA-N 340.280 5.062 0 1 EKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc3ccccc3cc21 1772576718 PEUQZFKZKXCLJF-HSZRJFAPSA-N 349.449 5.095 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@H]1[C@H]2C(C)=CC[C@@H]1C(C)C 2356577377 BYNSHSWWZXSBTC-OVQJPPBNSA-N 346.511 5.060 0 1 EKAF Cc1ccc(CNC(=O)c2c(-c3ccccc3)sc3ccccc23)o1 61947978 NIMUNPVEBBJDBZ-UHFFFAOYSA-N 347.439 5.400 0 3 EKAF COc1c(O)c(C(C)C)cc2c1[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 13302679 HOQDFKUSWWBYGK-IERDGZPVSA-N 330.468 5.195 0 1 EKAF biogenic C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@]1(C)CCN2CC1CC1 13493417 FUMBLBJFVJXVBV-PKKBDPGCSA-N 346.518 5.364 0 1 EKAF CCCCC/C=C/C/C=C\C=C\C=C\[C@@H]1C[C@H]1CCCC(=O)OC 28526772 FIVTZIDMRMUBFM-OSMPXFNRSA-N 330.512 6.161 0 1 EKAF CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 31261534 YUFFSWGQGVEMMI-BJOJJUPNSA-N 330.512 6.773 0 1 EKAF CCc1ccc(-n2c(=S)oc3cc(Cl)ccc3c2=S)cc1 64560255 XJMWVHKGSXJLIH-UHFFFAOYSA-N 333.865 5.898 0 1 EKAF CC/C=C1/CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 72978477 UOIJHEQXCGDHBU-VHTJLORJSA-N 326.480 5.593 0 1 EKAF COc1ccc([C@H](C)Nc2nc3cc(Cl)c(F)cc3s2)cc1 84538161 GTISSURYSNFYIN-VIFPVBQESA-N 336.819 5.271 0 1 EKAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@@H]1C2 87721995 QUFRNANIXKUCID-TUNUWMLWSA-N 348.527 5.347 0 1 EKAF CC(C)(C)c1ccc(C(=O)[C@H](c2ccccc2)c2ccccn2)cc1 169333191 BZOPDTUTPJPDMO-OAQYLSRUSA-N 329.443 5.394 0 1 EKAF Fc1c(Cl)cc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1F 587028654 YUDZBNQMBWDFJK-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF Cc1ccccc1[C@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522074 HERIHCXAONADIR-DEOSSOPVSA-N 348.486 5.781 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cccc(C(F)(F)F)c1 587629864 LPPQAMIMXHYYBG-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF CC(C)CCOc1cc2nc(C=C3CCC3)[nH]c2cc1Br 587965876 ZJCPCNYSGUNHPN-UHFFFAOYSA-N 349.272 5.318 0 1 EKAF CC(=O)CCCCCCCCCCCCCCC1=C(C)C(=O)NC1=O 2356284202 RZYUJCKPJOOZBL-UHFFFAOYSA-N 349.515 5.010 0 1 EKAF O=C(Nc1ccc(C(F)(F)F)cc1)O[C@H]1CCC12CCCCC2 96019224 YJGCUEAKSTVZMZ-AWEZNQCLSA-N 327.346 5.367 0 3 EKAF Cc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(C)c1O 13524972 PQMHTJHLRWHJCL-UHFFFAOYSA-N 326.395 5.142 0 1 EKAF CCCCC[C@H](O)CC/C=C\CCCCCCCCCC(=O)O 26577382 PSCHFNUUMNHLGK-JQYPEGPJSA-N 326.521 5.860 0 1 EKAF CCc1ccccc1-c1n[nH]c(-c2cccc(-c3ccccc3)c2)n1 28220420 NSHDRONKHDPUMN-UHFFFAOYSA-N 325.415 5.368 0 1 EKAF CCCN(CCC)[C@H]1CCc2cccc(C(=O)C3CCCCC3)c2C1 28763212 XHDDGPAXYUVBDO-FQEVSTJZSA-N 341.539 5.429 0 1 EKAF Cc1cccc(C)c1Oc1ccc(OCCO[C@@H]2CCCCO2)cc1 29489522 METMJVOTYRIMQJ-HXUWFJFHSA-N 342.435 5.018 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 38179233 QKLOHIAMQQCGHP-QGPMSJSTSA-N 347.911 5.699 0 1 EKAF COc1ccc(Nc2cc3sc(C)c(C)c3cc2C)c(OC)c1 43060828 GWNMETPBMMXHEO-UHFFFAOYSA-N 327.449 5.587 0 1 EKAF Clc1ccccc1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1 45254531 WSXKDSGRAUPQKR-UHFFFAOYSA-N 330.818 5.996 0 1 EKAF O=C1Cc2ccccc2Cc2c(Nc3ccc(F)cc3F)cccc21 49784315 JDEUOZRBEHCZJU-UHFFFAOYSA-N 335.353 5.038 0 1 EKAF O=C(Nc1ccc(-c2ccc3cn[nH]c3c2)cc1)Nc1cccc(F)c1 63539927 FYRQDEVTRMEZHR-UHFFFAOYSA-N 346.365 5.013 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccc(F)c1 96940146 DPFJWWIDJWAUQD-UHFFFAOYSA-N 344.385 5.883 0 1 EKAF CCCCNc1nc(NCc2ccccc2)c2ccc(Cl)cc2n1 169337362 SZMARFWHIPRTRE-UHFFFAOYSA-N 340.858 5.107 0 1 EKAF CC/C=C/C/C=C\C/C=C/CCCCCCCc1ccc(C=O)[nH]1 238736988 SBTDAFBYYGSBEE-BXPSWRNBSA-N 327.512 6.569 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 586882226 WOPJSSQMVPUEBW-UHFFFAOYSA-N 344.256 5.075 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(OC(C)C)cc2[nH]1 587061349 DXKJVUVETNWRLG-QGZVFWFLSA-N 344.842 5.534 0 1 EKAF CC(C)c1c(C(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587106143 FRDVRCPMSITXJE-UHFFFAOYSA-N 329.443 5.867 0 1 EKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2[nH]1 587112048 CXVJRNMAMPDZQZ-SNVBAGLBSA-N 338.760 5.581 0 1 EKAF COc1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1C 587152870 FJFQOHUMOHCYMY-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF O=C(Cc1ccc(C(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587277792 CFKOFTVKNYKISH-UHFFFAOYSA-N 338.712 5.530 0 1 EKAF CCC/C=C\c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366077 QPNKOAGGVQCLGC-YHYXMXQVSA-N 343.426 6.470 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C)cc(C)c1C)CC2=O 587476876 BSEYAVXMMYTWQZ-HXUWFJFHSA-N 338.447 5.285 0 1 EKAF C[C@@H]1c2ccccc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524191 LABNZXWJSGRGRH-IQMFZBJNSA-N 332.443 5.019 0 1 EKAF O=C1C[C@]2(CCCC[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587525384 OWMNEKHDPOZGKZ-URXFXBBRSA-N 346.470 5.627 0 1 EKAF Cc1cccc(-c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)n1 587629742 FTKXAXHQXXKCBE-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2cc(C)cc(O)c2C[C@H]1O 2356496797 OELJEAVRDMYCHY-FGZHOGPDSA-N 344.495 5.228 0 1 EKAF CC=C(C)CCCCCCCC=CC=CC=CC[C@@H](O)CC(=O)O 2356820935 FPUNLEAKMBDJNH-HXUWFJFHSA-N 334.500 5.578 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1ccccc1 95565664 HMUKNOJYMSMLEB-UHFFFAOYSA-N 334.463 5.144 0 3 EKAF CON(C)CCCCCCCCCCCCCCCc1cccnc1 14885514 XBOFXNQZWQRVGD-UHFFFAOYSA-N 348.575 6.189 0 1 EKAF biogenic Cc1ccc2c(c1)[C@@H](SCCN1CCCCC1)c1ccccc1O2 25967359 KEFYIKFDKAXRHH-NRFANRHFSA-N 339.504 5.409 0 1 EKAF CN1CCC2(CC1)S[C@H](c1ccc(Cl)cc1)c1ccccc12 27871575 MGVAJZMTXRQJPS-GOSISDBHSA-N 329.896 5.097 0 1 EKAF NCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 29134987 URFDSBVLFXVQNA-UHFFFAOYSA-N 347.527 5.451 0 1 EKAF c1ccc(CN(c2ccccc2)c2ncc(-c3ccccc3)s2)cc1 71388879 DFLHGWOTIQKYSX-UHFFFAOYSA-N 342.467 6.148 0 1 EKAF CC1(C)C[C@H](O)C[C@](C)(CNc2ccc(Cl)c(C(F)(F)F)c2)C1 84614699 OWHZBTQOZANKGJ-LRDDRELGSA-N 349.824 5.348 0 1 EKAF Cc1ccc(C(C)C)c(C(=O)Oc2ccc(-c3ccccc3)cc2)c1 84739916 YMDHPGJFGIJMTH-UHFFFAOYSA-N 330.427 6.005 0 1 EKAF O=C1c2ccccc2-c2nccc3nc(-c4ccc(Cl)cc4)cc1c23 96934769 JMIKSJYQTVDBAX-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S[C@H]12 169715462 DQEHBFZYRSACTF-SGTLLEGYSA-N 327.836 5.034 0 1 EKAF CC(C)N(CCC[C@@H](O)c1ccc2ccccc2c1)Cc1ccccc1 200625803 IMEINKZFCONSJK-XMMPIXPASA-N 347.502 5.564 0 1 EKAF FC(F)(F)c1cccc(-c2csc3nc(-c4ccccc4)cn23)c1 299819785 CWHJFZCXSCTEDE-UHFFFAOYSA-N 344.361 5.749 0 1 EKAF CCc1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O 587105817 IHGSQTPNGQHYOY-UHFFFAOYSA-N 336.394 5.071 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)cc1F 587146307 HZBKDFNKYDLLJF-PLNGDYQASA-N 349.178 5.082 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C(C)(C)C)O2 587375908 APWPJPOYTGHAPN-HXUWFJFHSA-N 343.854 5.137 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3c(C)cccc13)CC2=O 587485232 QTLVFKTUFRVQEP-IBGZPJMESA-N 349.430 5.149 0 1 EKAF CC[C@@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523312 LBPFFXFBXQCOBY-VOIUYBSRSA-N 348.486 5.960 0 1 EKAF O=C1C[C@H](c2cc(O)cc3ccccc23)Oc2c1ccc1c2CCCC1 587529409 BOGGHHZJZIVJSJ-JOCHJYFZSA-N 344.410 5.131 0 1 EKAF O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2cc(F)ccc12 587634169 CRJOXTSKEFUECA-UHFFFAOYSA-N 349.336 5.050 0 1 EKAF CCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811736 GYUDUFDEYHINLI-PXAZEXFGSA-N 342.296 5.308 0 1 EKAF CSc1ccc(-c2csc(-c3cccc4cnccc34)n2)cc1 587925922 VWMOJSRWUKIPIG-UHFFFAOYSA-N 334.469 5.747 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587951620 HWHDEQCRMDSNDK-GYSYKLTISA-N 341.377 5.023 0 1 EKAF CC/C(=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587966642 KAALBKYGAZYNDD-NTMALXAHSA-N 334.316 5.378 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(F)cc(Br)c2[nH]1 587968772 TZUOPKDZTPLFKR-XFFZJAGNSA-N 337.236 5.614 0 1 EKAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1ccc2c(c1)CCO2 1772621895 ZKVLNOOCYRESSA-AATRIKPKSA-N 335.491 5.064 0 1 EKAF CC1=C[C@H]2c3cc(O)c(C)cc3O[C@@]23O[C@@H](C=C3C)CC(C)=CCC1 2356479826 FWAFECHDILCSFU-ZWCUEREDSA-N 338.447 5.295 0 1 EKAF CC(=O)O[C@@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)C[C@]2(C)O 2356730769 GXXLLEDKYVEOQW-CZYKHXBRSA-N 348.527 5.332 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccccc1C 169328255 KSJQQDQWWUNRGK-UHFFFAOYSA-N 334.463 5.258 0 3 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2nccs2)o1 13611964 IGPZWQIXJWXRCL-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF CC(C)Sc1nnc(-c2cc(C(C)C)c(O)c(C(C)C)c2)s1 13796377 KFYXEADNTGPZPJ-UHFFFAOYSA-N 336.526 5.658 0 1 EKAF C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1cccc(F)c1 40901172 FYZFBWGIHKEOHV-YCRPNKLZSA-N 346.405 5.028 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)C1(C)C 238738565 OOFXFLVLGBRHBD-UKAXKSMUSA-N 330.512 5.207 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587048544 IIGAWFGMCVPUND-NXEZZACHSA-N 343.217 5.017 0 1 EKAF CC[C@@H](C)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102254 ZTTZGNVIBJUOPZ-UKRRQHHQSA-N 341.454 5.831 0 1 EKAF CC(C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208431 WIVWRQXTTWRYGT-AWEZNQCLSA-N 327.427 5.207 0 1 EKAF COc1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587212695 CCUUIKYZCHCDGT-UHFFFAOYSA-N 337.422 5.676 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC)(Cc1ccccc1)CC2=O 587489143 MSQFHHFHXYNRPK-QFIPXVFZSA-N 338.447 5.092 0 1 EKAF O=C1C[C@@]2(CCC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587524786 NBDZQKKOUCUNIG-DVECYGJZSA-N 346.470 5.627 0 1 EKAF Cc1cc2c(cc1F)[C@](c1ccc(Cl)c(F)c1)(C1CCC1)NCC2 962093720 QYSAYQQGVMVLRK-HXUWFJFHSA-N 347.836 5.116 0 1 EKAF C[C@@H]1CC[C@H]2[C@@H](C1)c1c(O)cc(C=Cc3ccccc3)cc1OC2(C)C 2356420685 KCNFZTIIENBEPU-AHRSYUTCSA-N 348.486 6.253 0 1 EKAF Cn1c(Nc2ccccc2)nc2cnc(Nc3cccc(Cl)c3)cc21 74388268 HAQACUPNZVCCNW-UHFFFAOYSA-N 349.825 5.109 0 3 EKAF Fc1ccc2nc3n(c2c1)[C@@H](c1c(Cl)cccc1Cl)SC3 13200800 BBAZKTBJJLEVBN-OAHLLOKOSA-N 339.222 5.276 0 1 EKAF COc1c(C)c(O)cc2c1Oc1ccc(CC=C(C)C)c(O)c1C=C2 13375722 LSRDCIRGVJBGRF-UHFFFAOYSA-N 338.403 5.200 0 1 EKAF biogenic,in-vitro CC1(C)C=Cc2cc3oc4ccccc4c3c(Br)c2O1 28873322 LXFNWSUZRCWDPB-UHFFFAOYSA-N 329.193 5.533 0 1 EKAF Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(F)cc2)cc1 95560790 QTZMEXZPYFUXGG-UHFFFAOYSA-N 325.408 5.086 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nccc(N)c4[nH]3)cc2)CC1 586879659 HHRUAQBRXSAIDW-WKILWMFISA-N 348.494 5.671 0 1 EKAF CC(C)c1c(C(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993608 YLUFGIVWNFQGQG-UHFFFAOYSA-N 345.442 5.573 0 1 EKAF Clc1ccc(-c2nc(-c3nc4cc(Cl)cnc4[nH]3)cs2)cc1 587016592 YVUKEDORUYFZCE-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063253 RESJCJCALRHANB-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)cccc3[nH]2)cc1 587164765 WLPCDVNYUNWORO-UHFFFAOYSA-N 328.799 5.751 0 1 EKAF C/C=C\COc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587214085 LZSSUBJWGUEERH-IHWYPQMZSA-N 329.443 5.074 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3cccc(Cl)c3)c2c1 587639851 FAGSJBFTVJFWIN-GFCCVEGCSA-N 325.839 5.874 0 1 EKAF CCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820778 QZKAUTBQDGAFHG-LEQCPGASSA-N 338.264 5.076 0 1 EKAF Cc1sc2c(c1C)CCN[C@]21CCC[C@@H]1c1ccc(Cl)cc1 963010248 MQXHTNPZSJYHKC-MJGOQNOKSA-N 331.912 5.327 0 1 EKAF CN(C/C=C/c1cccc(C(F)(F)F)c1)Cc1coc2ccccc12 1772570307 BGGULUFZKPICBR-FNORWQNLSA-N 345.364 5.597 0 1 EKAF CN(C/C=C/c1ccccc1C(F)(F)F)Cc1cccc2cc[nH]c12 1772579369 OWXWIMYEHZVCML-WEVVVXLNSA-N 344.380 5.332 0 1 EKAF Cc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 1772625423 OMQCRKQPWYXIEX-UHFFFAOYSA-N 327.431 5.230 0 1 EKAF O=C(c1ccccc1Cl)c1sccc1-c1ccc2c(c1)OCO2 1857654874 IYSHXNLKQNAKKH-UHFFFAOYSA-N 342.803 5.028 0 1 EKAF COc1cccc([C@@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)c1 61926589 NRUQCTYRYAKZML-LJQANCHMSA-N 339.460 5.024 0 3 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@H]1CC[C@H]3C1 102914909 VDRMZFYUZJCSMU-KBPBESRZSA-N 341.376 6.229 0 3 EKAF CCCCC[C@@H](O)c1cccc(OCCCCCCCC(=O)O)c1 26577584 QSTIGUOALKRIPI-LJQANCHMSA-N 336.472 5.104 0 1 EKAF CCCCCCOC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 27752376 FZUAJQBKHGJHCJ-UHFFFAOYSA-N 347.499 5.386 0 1 EKAF CC1(C)C[C@@](CCNc2cccc(Cl)c2)(c2cccs2)CCO1 72112015 NCUUPWBPTJPQBM-IBGZPJMESA-N 349.927 5.731 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 100834492 FMPUWHUXNOPVQS-IVAOSVALSA-N 341.882 5.071 0 1 EKAF CCCCCc1cc(S)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323079 RETQATOTJXJEQP-AWEZNQCLSA-N 330.537 6.453 0 1 EKAF Cc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3C(=O)CC(C)(C)CC3=N2)cc1 169723775 QNUPIBHPMLFNJK-XXBNENTESA-N 343.470 5.580 0 1 EKAF CC(C)(C)/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299869985 GJYCOULXILNZBK-UPZSXYEESA-N 340.507 5.192 0 1 EKAF in-vivo Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5ccc(C)o5)cc4)nc32)n1 586905459 POVOQTKYRAGHLG-UHFFFAOYSA-N 339.398 5.655 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2C1 587034664 XKOIXNMLCFHSMT-LLVKDONJSA-N 325.481 5.109 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037683 WVZVJOOMOGMIDI-CYBMUJFWSA-N 341.288 5.310 0 1 EKAF Fc1cc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2cc1Cl 587048915 CUJWYGOITYHJFG-UHFFFAOYSA-N 346.192 5.467 0 1 EKAF CCc1cc(OCc2nc3cc(Cl)cc(F)c3[nH]2)ccc1Cl 587052939 UUXYWUKUMHLRPY-UHFFFAOYSA-N 339.197 5.150 0 1 EKAF Fc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062622 HNXWGAVLXDGVEF-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF CNc1cc(Cl)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587067081 MRTWXUXGHLSDKG-UHFFFAOYSA-N 326.614 5.232 0 1 EKAF Cc1cc(Cl)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073950 RCNSFAHXVNPJDX-UHFFFAOYSA-N 331.246 5.452 0 1 EKAF CCCCC(CCCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587488079 HSXWQUCOCQSVJJ-QFIPXVFZSA-N 346.511 6.065 0 1 EKAF CC1=C(C)O[C@@](C)([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587530521 CWDQHLSXYFQVAN-FGZHOGPDSA-N 340.463 5.152 0 1 EKAF CCOc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1C 587779238 ZJKHCHQNJQNSLA-UHFFFAOYSA-N 344.414 5.729 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 587920110 FMHOAIDKUOQWSX-UHFFFAOYSA-N 340.662 6.437 0 1 EKAF Cc1ccc(C)c(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587959703 SNQXQGRQIIXRIN-UHFFFAOYSA-N 342.442 5.350 0 1 EKAF O=C(O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 2548758 NIOFKLRBXYYJJO-UHFFFAOYSA-N 340.244 5.151 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C)Oc1ccc(Cl)cc1-3 3831982 IDGIKWDCKXJAES-GFCCVEGCSA-N 325.839 6.068 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](O)C(=O)O 5758690 CGKMKXBKVBXUGK-HCXYKTFWSA-N 328.537 5.507 0 1 EKAF in-vitro Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C 13376906 CUSONBTUCOAEMV-LEWJJULVSA-N 331.459 5.930 0 1 EKAF endogenous,in-man CN1Cc2cc(N3CCCC3)ccc2[C@@H](c2cc3ccccc3s2)C1 38208547 ZJEDITUWACTVKK-FQEVSTJZSA-N 348.515 5.079 0 1 EKAF FC(F)(F)Oc1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Cl 586901449 KVPCXFMXMCXSNL-UHFFFAOYSA-N 342.704 5.252 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](CCCF)CC4)-c1ccccc1C2=O 586994901 FZIFYYWCWHWRTA-CQSZACIVSA-N 345.417 5.534 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587207398 SKMSZLJVNBNEFH-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)s1 587209977 ZDNSSZBDXUQRAG-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(F)c1Cl)CC2=O 587466870 PTFZMGQJNPKUQL-LJQANCHMSA-N 348.801 5.018 0 1 EKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587629117 VCYRTEBYLHIKBU-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF CCC[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C 587954608 BTGRYZDJRPDLHB-MRVPVSSYSA-N 331.204 5.143 0 1 EKAF O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccccc1 1772658097 RMOCKHAXMAZOLG-UHFFFAOYSA-N 330.412 5.216 0 1 EKAF Cc1cc(O)cc(Oc2cc(C)cc3c2[C@@H]2OCc4cccc(c42)O3)c1 2356795099 IHUJLEMEKZVBBZ-JOCHJYFZSA-N 346.382 5.527 0 1 EKAF COC(=O)c1c(-c2ccc(SC)cc2)sc2ccc(OC)cc12 61969025 YMDDDGJIPJHXNM-UHFFFAOYSA-N 344.457 5.085 0 3 EKAF CCO[C@H]1c2cc(OC)c(OC)cc2-c2ccc3ccccc3c2N1C 5499858 URZDFUIXJZWTKL-QFIPXVFZSA-N 349.430 5.009 0 1 EKAF CC1=CC[C@H]([C@]2(C)Cc3c(Oc4ccccc4)cc(C=O)cc3O2)CC1 26492543 ADAGMTISWNFVLE-MBSDFSHPSA-N 348.442 5.731 0 1 EKAF O=C(COc1ccccc1C1CCCCC1)c1ccc(Cl)nc1 73168528 ATJFOISDPXUMGF-UHFFFAOYSA-N 329.827 5.044 0 1 EKAF C[C@H](c1cccc2ccccc12)N(C)Cc1cccc(C(F)(F)F)c1 96930052 DJMYUOFZYJPRKK-OAHLLOKOSA-N 343.392 6.052 0 1 EKAF CC(C)c1nc(Nc2ccc(F)cc2)nc(-c2ccc(Cl)s2)n1 142944385 SELHABDMVACUOE-UHFFFAOYSA-N 348.834 5.260 0 1 EKAF O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)/C1=C\c1ccccc1 473106341 WOUVIGYBUKMNJW-QRTWOMCZSA-N 326.395 5.152 0 1 EKAF Cc1ccc2c3c(cc(-c4cccc(C=O)c4)nc13)-c1ccccc1C2=O 587100039 YYIGFFOMLNMFQZ-UHFFFAOYSA-N 349.389 5.234 0 1 EKAF CC(C)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C 587208413 VTMJERPDDSOIIH-RDTXWAMCSA-N 341.454 5.453 0 1 EKAF CCCCCc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278641 PUHAMLAMXUDSSQ-UHFFFAOYSA-N 326.823 6.050 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=CCCC3)c1 587366362 LLIDYWBIRGSFAK-UHFFFAOYSA-N 341.410 6.006 0 1 EKAF COc1cc2c3c(c1)O[C@H]([C@@H](C)CC[C@H](C)CC(C)(C)C)[C@@H](C2)C3=O 587446106 UCEABVBXYMAANF-WJCLWAKDSA-N 344.495 5.300 0 1 EKAF C[C@@]1(c2c(F)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506692 OGXKXGKJZZVIIN-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3OC(F)F)c(C)c2c1 587643194 SMPPCGXGVBDOOC-GFCCVEGCSA-N 329.390 6.258 0 1 EKAF Cc1c(Br)ccc2nc(CC3CCC(C)(C)CC3)[nH]c12 587962013 HSAOMPAABOYDDX-UHFFFAOYSA-N 335.289 5.393 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccccn1)C(C)(C)C 963233467 ULDGLRANRDEZRA-MBSDFSHPSA-N 336.523 5.222 0 1 EKAF COc1cc(OC)cc(-c2cccc(-c3nc4ccccc4s3)n2)c1 1911585144 MNLZCFLLHNHCDX-UHFFFAOYSA-N 348.427 5.043 0 1 EKAF CC(=CCCC(C)=CCNC=O)CCC=C(C)CC(=O)CC(C)C 2356412751 ZJWUIYXTOMPSOP-UHFFFAOYSA-N 333.516 5.137 0 1 EKAF Oc1ccc(C(=C2C[C@@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2ccc(O)cc2)cc1 13517918 MMDMIFJZBQXIPJ-DVWBAYGPSA-N 332.443 5.356 0 1 EKAF C/C(=C/c1cc(C(=O)O)no1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13557578 QEPKCGNDCFSACX-RAXLEYEMSA-N 339.435 5.282 0 1 EKAF FC(F)(F)c1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84616055 YBGJGTRWDKTGRJ-UHFFFAOYSA-N 339.320 5.106 0 1 EKAF Cc1c(NCc2ccc(CCCCF)cc2)oc2ccccc2c1=O 101110658 LBAMGYXYQDHWOK-UHFFFAOYSA-N 339.410 5.006 0 1 EKAF CCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)SC 144374527 GSLDYEUXPPAHCC-IAGOWNOFSA-N 332.550 5.255 0 1 EKAF Cc1cnc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587050218 GAMVLQHLKURIJN-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(O)cc4[nH]3)c2)c1 587051113 XOOXUWLHJWHDSQ-UHFFFAOYSA-N 348.789 5.068 0 1 EKAF Fc1c(F)c(F)c(/C=C/c2nc3cccc(Cl)c3[nH]2)c(F)c1F 587131912 FZFXAGOROOVGEZ-SNAWJCMRSA-N 344.670 5.082 0 1 EKAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cccc(F)c1 587624121 DIPCZGJSOZKODI-UHFFFAOYSA-N 345.801 5.041 0 1 EKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2cc(F)ccc12 587634515 ILYJVHDRNMUHGY-UHFFFAOYSA-N 336.179 5.438 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(N3C(=O)CCC3=O)c2c1 587641555 HKOAOXVOMWULIT-AWEZNQCLSA-N 346.430 5.002 0 1 EKAF Cc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783773 HFBKYEMTPQQRMI-UVTDQMKNSA-N 341.414 5.016 0 1 EKAF CC(C)CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811796 HNWOCVFQVCJVDO-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF C[C@H]1CCCC(C)(C)[C@@]12c1ccsc1CCN2Cc1cccn1C 962369346 CXYRNNHHSDQIBL-KKSFZXQISA-N 342.552 5.186 0 1 EKAF CC(C)c1cccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)c1 61926065 XMXOOKCCXKRQNL-SFHVURJKSA-N 343.879 5.669 0 3 EKAF Oc1ccc(-c2oc(-c3[nH]cc(Cl)c3Cl)nc2Cl)cc1 14653430 QSFUDEGJGAYZNO-UHFFFAOYSA-N 329.570 5.003 0 1 EKAF biogenic O=C(CCCCCCSCc1ccccc1)Nc1ccccc1 28125466 RKNOJKPGNMRPNE-UHFFFAOYSA-N 327.493 5.509 0 1 EKAF CC(C)C[C@@H](c1cccc(O)c1)[C@@H](CC(C)C)c1cccc(O)c1 28223274 ODHGVCQLDXSHQR-VXKWHMMOSA-N 326.480 6.057 0 1 EKAF CCOC(=O)c1ccc(NCCCCCCc2cccs2)cc1 29203879 LSBPMJRVDNXWET-UHFFFAOYSA-N 331.481 5.140 0 1 EKAF CCN(CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29485686 CMPKTAXJJJLOGY-LPHOPBHVSA-N 334.290 5.912 0 1 EKAF Cc1ccc(N2CCN(Cc3ccccc3)[C@H]2c2ccccc2)cc1 58491905 ZLVGCBYJLNKXLV-HSZRJFAPSA-N 328.459 5.016 0 1 EKAF CCCCC/C=C\C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)OCC 206832492 HMSZURWPEYGCQR-IJCXZMEESA-N 348.527 5.666 0 1 EKAF Cc1cc(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883334 IUQYWZLNJQUFKF-MMNXLFCMSA-N 345.284 5.102 0 1 EKAF Cc1ccc(CSCCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 586970237 JANBRWGJGDFFED-UHFFFAOYSA-N 334.847 5.140 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc(F)c(C)c2[nH]1 586971428 RPSQMYKLJARJBO-UHFFFAOYSA-N 327.241 5.201 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2C1 587033205 HCLAICYYQLFFRH-SSDOTTSWSA-N 338.263 5.118 0 1 EKAF Clc1ccc(CC2(c3nc4cnc5ccccc5c4[nH]3)CC2)cc1 587074085 RDBHWOUNXMUQST-UHFFFAOYSA-N 333.822 5.039 0 1 EKAF CC(C)C[C@@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526161 RFMQQESMELNWRT-GMAHTHKFSA-N 348.486 5.729 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1C 587633791 LYZQRCKOOWZVHL-UHFFFAOYSA-N 335.300 5.174 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1C1=C[C@H]2CC[C@@]1(C)C2(C)C 587872401 XDTWNOXDZTVUOH-QVKFZJNVSA-N 340.442 5.385 0 1 EKAF Fc1ccc(-c2csc(COc3ccc(Cl)cc3)n2)cc1F 587922149 JPTJJLYWTHNEJF-UHFFFAOYSA-N 337.778 5.321 0 1 EKAF CCCCC(CCCC)[C@@]1(C)NCCc2c(OC)ccc(Cl)c21 963268910 AZSNXGNBAZONJG-HXUWFJFHSA-N 337.935 5.706 0 1 EKAF Cc1ccc(-c2cccc([C@@H]3NCCc4cc(Cl)ccc43)c2)cc1 963391480 UNLQCYGTSQQVET-QFIPXVFZSA-N 333.862 5.551 0 1 EKAF CC[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1 1857637146 XMUNXIMVVHMCPT-QQABJKMWSA-N 342.552 5.358 0 1 EKAF COc1ccc(CCCCCCCc2ccc(O)cc2)cc1OC 1857641336 OHZGDEBISOBPKP-UHFFFAOYSA-N 328.452 5.145 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)c(C)cc2O1 2356737021 LLFVJAKJZFZQAC-QFIPXVFZSA-N 328.496 6.257 0 1 EKAF COc1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 74386813 OFJMVSYUXXQSBD-UHFFFAOYSA-N 333.366 5.121 0 3 EKAF CN1CCCc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc21 3816924 WDOQXXKSRLZKQS-UHFFFAOYSA-N 348.471 5.050 0 1 EKAF CC(C)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1C(C)C 13558401 MQWFKMNHONJHNE-UHFFFAOYSA-N 338.403 5.076 0 1 EKAF CN(C)[C@H]1C=C[C@]2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 13649954 FZXSXMYFIZKXPT-UGKGYDQZSA-N 335.878 5.390 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C[C@@]12CS2 16029858 RAGKRCXTWZPJJM-YQLWQOHMSA-N 332.553 5.330 0 1 EKAF biogenic CC1=C(Cc2cccc(C(=O)O)c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 26168669 WJDIGJSHTANPRM-PGRDOPGGSA-N 342.479 5.576 0 1 EKAF O=C1N[C@@H](c2ccc(Cl)cc2)c2c(ccc3oc4ccccc4c23)O1 72172076 GABYMEQKATUXKS-IBGZPJMESA-N 349.773 5.431 0 1 EKAF c1ccc(-c2ccc(CNc3cc4c(cn3)[nH]c3ccccc34)cc2)cc1 72175490 YMORMGOWYRKCBP-UHFFFAOYSA-N 349.437 5.995 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2)nn1 103187778 NXPOMVDJHZUQQI-UHFFFAOYSA-N 344.336 5.050 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)c(C=O)cc2c1[nH]c1ccccc12 136770564 HYKYGURKMDNXGG-LFIBNONCSA-N 347.458 6.074 0 1 EKAF Cc1cccc2sc([C@@H]3NCCc4c(F)cccc43)c(Cl)c12 144727450 FFRWIMLRKNXBQV-QGZVFWFLSA-N 331.843 5.237 0 1 EKAF Clc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 169337442 DCFMXZDLELIRGE-UHFFFAOYSA-N 325.582 5.364 0 1 EKAF CCCN(C)c1ncc(-c2ccncc2-c2ccccc2Cl)s1 473117330 YRBUNFCKCGTYIM-UHFFFAOYSA-N 343.883 5.372 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586891486 RFOVFLNPKLKRQJ-ZANVPECISA-N 336.279 5.504 0 1 EKAF CC(C)c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(O)c(C(C)C)c1 586896473 MNXGFGDNGAXBFP-UHFFFAOYSA-N 334.423 5.059 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(C)c(Cl)cc4[nH]3)cs2)o1 587017019 QZEXVSVXWDTSQB-UHFFFAOYSA-N 329.812 5.217 0 1 EKAF Cc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl 587070201 QPFXMPVPNGZPRG-LLVKDONJSA-N 347.245 5.555 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc1F 587146308 HZBKDFNKYDLLJF-SNAWJCMRSA-N 349.178 5.082 0 1 EKAF CC(C)[C@@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587207872 OFDMFCJREWQCCC-HNNXBMFYSA-N 341.454 5.597 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C=C2CCCCC2)N1 587817374 BLMVEJTZKHODTD-ABAIWWIYSA-N 338.264 5.054 0 1 EKAF CC[C@]1(c2cc(C)sc2C)c2cc(OC)ccc2CCN1C(C)C 962088234 FMUPCGLCKZJKEQ-NRFANRHFSA-N 343.536 5.294 0 1 EKAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C[C@@H](C=Cc3ccccc3)OC(=O)[C@H]12 2356477075 WTHYBEDBWJWEEI-CIQOUTPZSA-N 336.475 5.116 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@](C)(CCCC(C)(C)O)C=C2 14585299 ZMSFODUWJLWJOE-QHCPKHFHSA-N 349.474 5.735 0 1 EKAF endogenous,in-man CCCCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2C 28955681 OTZPRHFXLZVDOV-QFIPXVFZSA-N 347.458 5.124 0 1 EKAF O=C1c2cccn2-c2ccccc2S[C@@H]1c1cccc2ccccc12 38305565 GSHOISGQYADNHU-JOCHJYFZSA-N 341.435 5.660 0 1 EKAF SC1=N[C@H](c2ccccc2)[C@@H]2CCC/C(=C\c3ccccc3)C2=N1 50249245 LBWLEGNMSOTRJP-YJCQYLIDSA-N 332.472 5.352 0 1 EKAF NCCCC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1 84602752 UNQGPYNRFJJJJD-UHFFFAOYSA-N 335.878 5.413 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@@H]1CC[C@@H]3C1 101850540 XHVZNHAQYIIVPB-IAGOWNOFSA-N 329.487 6.508 0 1 EKAF FC(F)(F)c1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Cl 586900629 CIKMINHLXVSYDF-UHFFFAOYSA-N 326.705 5.373 0 1 EKAF COc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049004 KFJXTNUOQSHOIV-WDEREUQCSA-N 333.218 5.149 0 1 EKAF CCc1cc(OCc2nc3ccc4c(c3[nH]2)CCCC4)ccc1Cl 587052952 VLJWLWXCLIRWPT-UHFFFAOYSA-N 340.854 5.237 0 1 EKAF CC(C)(C)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073925 NVSYZJUIBCUORT-UHFFFAOYSA-N 338.882 5.984 0 1 EKAF CC[C@@]1(C)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100601 LYVAEENISXHLNB-DEOSSOPVSA-N 341.454 5.660 0 1 EKAF Cc1nc(-c2ccc(C)n2C)sc1-c1cc2c3c(cccc3n1)CC2 587360733 PGTKVPCJKZYBBZ-UHFFFAOYSA-N 345.471 5.079 0 1 EKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2COc2ccccc2)cc1 587634814 SFIHSKIDUOJNRA-UHFFFAOYSA-N 335.353 5.692 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(Cl)cc3Cl)n2)cc1C 587920454 HVBAKMNPYLRDNM-UHFFFAOYSA-N 334.271 6.401 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(OC(C)C)cc2[nH]1 587950687 BZPRSFQHMVHEMS-DOXZYTNZSA-N 330.472 5.397 0 1 EKAF Fc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951434 ZWNOIHZYUSYYAF-BUHFOSPRSA-N 330.362 5.665 0 1 EKAF C[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)NCCc2cccc(-c3ccccc3)c21 962666433 JYDLHKBPDWJJPL-COFNMNJVSA-N 331.503 5.541 0 1 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)NCc1cccc(F)c1 205704880 NGNHROBHWHGDAZ-VDUSKEEQSA-N 349.515 5.356 0 3 EKAF CCCc1c[nH]c2c(F)cc3c(c12)C[C@H](N(CCC)CCC)CC3 13741700 HCDLXJXEGJTMHB-QGZVFWFLSA-N 330.491 5.239 0 1 EKAF CN1c2ccccc2[C@H]2C=C(/C=C/c3ccc4ccccc4c3)C=C[C@@H]21 28114797 ASCIXCTXNMXQCC-UUNBUUKNSA-N 335.450 5.951 0 1 EKAF Cc1cc2c(cc1/C=C/c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 29226809 VQEXOOIXMOCCAE-DHZHZOJOSA-N 348.486 6.213 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@H](SCC)C(C)C 29309916 GDSIONQIWSRATL-NBNANEFWSA-N 326.546 5.636 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(O)cc1)N2 49014689 HWBHNMJNAWDWGG-YYWHXJBOSA-N 337.463 5.324 0 1 EKAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@H](CCF)c1ccccc12 66258776 ICQWUFVFVBZJRE-DYESRHJHSA-N 339.454 5.170 0 1 EKAF FC(F)(F)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 139250032 YHOXMEJFWFWHFV-UHFFFAOYSA-N 331.297 5.031 0 1 EKAF COC(=O)/C=C(\C)CC/C=C(C)/C=C/c1c(C)cc(C)c(Cl)c1C 143049941 VAPXNABVIADFKG-OWZURYKZSA-N 346.898 6.124 0 1 EKAF CCCN1CCc2cccc3c2[C@@H]1Cc1c(CC=C(C)C)ccc(O)c1-3 209429706 COGVBWFCKLEJAD-NRFANRHFSA-N 347.502 5.433 0 1 EKAF in-vitro C[C@H]1CCc2sc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2C1 587033206 HCLAICYYQLFFRH-ZETCQYMHSA-N 338.263 5.118 0 1 EKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1F 587149034 FWMZCKLMVUETLA-LJQANCHMSA-N 336.341 5.010 0 1 EKAF Cc1cc(OCCCc2cc3c4c(cccc4n2)CC3)ccc1Cl 587208868 CWSZSTLFMFWATL-UHFFFAOYSA-N 337.850 5.307 0 1 EKAF Cc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Cl 587959425 RIBACBSCMYZRSQ-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF c1coc(CN2CCc3sccc3C23CCC(C2CC2)CC3)c1 962720266 ZOXFCJYLEXJURY-UHFFFAOYSA-N 327.493 5.195 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@]1(CCC[C@H]1c1ccccc1)NCC2 963115962 BJHQENSJUAPKHC-QFBILLFUSA-N 332.274 5.302 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2)s1 1857554496 XVBHHFXDEUBMSN-UHFFFAOYSA-N 346.814 5.852 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccnc2)s1 1857615133 ABHPPZAWNFVROC-UHFFFAOYSA-N 329.812 5.108 0 1 EKAF c1ccc2cc(OCCCCCCN3CCCCCC3)ccc2c1 1857637536 JFNISQGJOPYLLU-UHFFFAOYSA-N 325.496 5.655 0 1 EKAF COC(=O)C(C)=C(O)C=CC=CC=CC=CC(C)=Cc1ccccc1 2356391178 SLSCKFUAPIQOND-UHFFFAOYSA-N 336.431 5.320 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@@H]([C@H](C)CCC=C(C)C)C[C@H]21 2356485958 ZGRUAOBBKAMJBH-LTLOCAGFSA-N 348.527 5.633 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@@H](C)CCC=C(C)CC[C@H]12 2356619160 VIHYBRGBRJAHDB-RYTRXMBJSA-N 332.528 6.073 0 1 EKAF COc1ccc(O)c2c1C[C@]1(C)[C@@H](C)CC[C@@H]3C(C)(C)CCC[C@]31O2 27655906 AHDRBWCUVQGBTR-GCPVUHDESA-N 344.495 5.337 0 3 EKAF Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1 13586333 DPRKSCQCEZRMAF-UHFFFAOYSA-N 334.806 5.111 0 1 EKAF in-vivo CCCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1 26000247 XXCODRRDVUJDPD-UHFFFAOYSA-N 337.507 5.305 0 1 EKAF O=C(O)c1ccccc1Nc1ccc(CCc2cccc(F)c2)cc1 40936753 RIBDRMBNFHXCKA-UHFFFAOYSA-N 335.378 5.053 0 1 EKAF CCCCCNc1nc2c(-c3cccc(F)c3)nc3ccccc3c2o1 49785322 BZRDRWLAIDVTIH-UHFFFAOYSA-N 349.409 5.784 0 1 EKAF CN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 66076351 POKCWLLPLOIIOW-QGZVFWFLSA-N 328.327 5.829 0 1 EKAF Cc1nnc(-c2ccc(C3CCCCC3)cc2)n1-c1ccccc1F 66101991 AWRBDADUWBCEBN-UHFFFAOYSA-N 335.426 5.430 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cc(Cl)ccc3O)cs2)c1 473087992 NBWIZRHNOIXICP-UHFFFAOYSA-N 348.880 5.057 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884242 OZWVITVSDDMFTE-OXKORPGDSA-N 338.348 5.189 0 1 EKAF Cc1cc2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c(C)n1 587074229 UATDLVRSQMNQIY-UHFFFAOYSA-N 347.849 5.871 0 1 EKAF CC(C)[C@@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587528235 ZHYFBWNCEOBEKK-OPAMFIHVSA-N 326.480 5.506 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(O)c2c1 587638194 CGRSXSMPSVMMOM-NSHDSACASA-N 344.252 5.817 0 1 EKAF Fc1cc(F)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587950455 QVIDIMVWXKEFLC-KHPPLWFESA-N 348.352 5.804 0 1 EKAF c1cncc(CN2CCc3sccc3[C@@H]2c2cccc(C3CC3)c2)c1 962999952 STMVMMKNWLYBQT-QFIPXVFZSA-N 346.499 5.168 0 1 EKAF CC(C)(C)c1cc(Nc2c(N)oc3cnccc23)cc(C(C)(C)C)c1 1857649575 MMKWGHZYOCTTDB-UHFFFAOYSA-N 337.467 5.749 0 1 EKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccncn1 1857762936 RCCFNUAECFJCLS-UHFFFAOYSA-N 329.428 5.243 0 1 EKAF CCc1ccc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1 4902125 ZWISHTUGZACZGD-UHFFFAOYSA-N 330.387 5.104 0 3 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](CCC(C)C)Oc1ccccc1-3 3831968 NVTFLQJKFXTAOZ-NRFANRHFSA-N 347.502 6.831 0 1 EKAF Cc1ccccc1CN(Cc1ccc(C(C)(C)C)cc1)Cc1c[nH]cn1 28340961 ZAERPMQNGHKZGC-UHFFFAOYSA-N 347.506 5.218 0 1 EKAF CCOc1nc2ccccc2c(-c2ccncc2)c1-c1ccc(F)cc1 29039985 PGGUMHTVOPOLQL-UHFFFAOYSA-N 344.389 5.502 0 1 EKAF Nc1scc(-c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 43016307 XHLVZUNHPHVQSA-UHFFFAOYSA-N 348.254 5.535 0 1 EKAF CN(c1ccccc1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1 66066053 UQIAZECPDAMYHF-UHFFFAOYSA-N 338.414 5.479 0 1 EKAF CCOc1ccc(-c2cc(N[C@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162272 PTWZHLQEPJYFED-WBVHZDCISA-N 339.483 5.169 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)nc2c1COc1ccccc1-2 473122516 SUNKRGSSBWYSAQ-UHFFFAOYSA-N 341.366 5.274 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2C1 587034839 ZMZLXTVMNPLVFF-ZETCQYMHSA-N 338.263 5.118 0 1 EKAF Cc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064225 FNBHIXYMKKTWTP-UHFFFAOYSA-N 338.794 5.364 0 1 EKAF COc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Cl 587087039 GVHWWKRNWBQZGT-UHFFFAOYSA-N 332.190 5.027 0 1 EKAF CNc1c(F)cccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587135523 FTJAKONGUSSZTK-UHFFFAOYSA-N 343.711 5.083 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587155633 NBBJTMLWBOEJRM-LLVKDONJSA-N 340.732 5.164 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CCCC[C@@H]1C3 587207439 KSJJHPCBTKZFHF-HUUCEWRRSA-N 339.438 5.351 0 1 EKAF COc1ccc(C)cc1NCCCc1nc2cc3ccccc3cc2[nH]1 587229421 XLQHSZQPUXFYBN-UHFFFAOYSA-N 345.446 5.078 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)cc(CC)c1)CC2=O 587483671 RIYWAXDIDAAHBA-NRFANRHFSA-N 338.447 5.176 0 1 EKAF CC(C)CC[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523179 KBDKWDCBNNOBBR-JOCHJYFZSA-N 328.496 5.752 0 1 EKAF Cc1[nH]c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1C 587523836 IGAYBQDDTXCRQK-NRFANRHFSA-N 345.442 5.370 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(C)=O)c2c1 587643329 ZTSIWHJGIVJNQE-LBPRGKRZSA-N 325.839 6.204 0 1 EKAF Cc1cc([C@H]2NCCc3c2sc(C)c3C)c(F)cc1C(F)(F)F 963011335 PGSICILWJYTQDP-OAHLLOKOSA-N 343.389 5.066 0 1 EKAF Oc1ccc(-c2cc(-c3ccccn3)nc3c2Cc2ccccc2-3)cc1 1772608064 DPPWGEULXNFXGD-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC(C)(C)c1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2 12726476 XTGBJMLKHGZLGO-UHFFFAOYSA-N 344.867 5.515 0 3 EKAF c1csc(-c2cc(-c3ccsc3)c(-c3ccsc3)s2)c1 1636199 GGLWFORHSXEDQX-UHFFFAOYSA-N 330.524 6.934 0 1 EKAF Cc1noc(C)c1-c1ccc2ncnc(N[C@@H](C)c3ccccc3)c2c1 13828594 UTSVXJQVFBLSEH-ZDUSSCGKSA-N 344.418 5.075 0 1 EKAF COc1ccc(O)c2c1C[C@]1(C)[C@H](C)CC[C@@H]3C(C)(C)CCC[C@@]31O2 14717794 AHDRBWCUVQGBTR-KCHGYLQPSA-N 344.495 5.337 0 1 EKAF biogenic C[C@H](Nc1cc2c([C@H]3CCCC[C@@H]3C)noc2cn1)c1ccccc1 45506060 RRBCORZOVOSGLG-ZOBUZTSGSA-N 335.451 5.690 0 1 EKAF Nc1ccc(-c2csc3ccccc23)cc1NC(=O)c1ccccc1 49112722 UZTXVFZGOPINMD-UHFFFAOYSA-N 344.439 5.403 0 1 EKAF Cc1cc(C)c2c(c1)[C@@](c1ccc(O)cc1)(C1CCCCCC1)C(=O)N2 64539521 SWKCKBXWFUZBAD-QHCPKHFHSA-N 349.474 5.218 0 1 EKAF C[C@@H]1C[C@H](NCc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 72183889 TZPLRLKMTNURFL-NEPJUHHUSA-N 338.904 5.361 0 1 EKAF CCCCC[C@@H](C)CCCCCCCCCCCC[C@H](O)CO 102186318 CWVKRPMEOLUEOW-RTWAWAEBSA-N 328.581 6.237 0 1 EKAF C/C1=C/[C@@H](O)C(C)(C)CCC/C(C)=C/C[C@H]1OC(=O)c1ccccc1 169692865 JRSLQKPYZJDQRG-FJKXUFACSA-N 342.479 5.066 0 1 EKAF CC1(C)CC(=O)[C@H]2C(=NC(c3ccccc3)=C[C@H]2c2ccc(F)cc2)C1 169723765 QVUFWKQZYQGGPB-PGRDOPGGSA-N 347.433 5.410 0 1 EKAF CC/C=C\C/C=C/C/C=C/CC/C=C(\Cl)O/C=C/CCC(=O)O 238765090 XRPUZVSLHOLHTQ-FWVLDFCKSA-N 338.875 6.101 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(F)c4[nH]3)c2)cc1 586881086 SEWPPOXVWYQSKG-UHFFFAOYSA-N 330.362 5.239 0 1 EKAF CCCCC1CCC(c2nc3ccc(CC(=O)OCC)cc3[nH]2)CC1 586883849 HCMZLCOAHSZNMF-UHFFFAOYSA-N 342.483 5.133 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037685 WVZVJOOMOGMIDI-ZDUSSCGKSA-N 341.288 5.310 0 1 EKAF Cc1c(F)ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587144511 ABYNFWGESLQCBG-UHFFFAOYSA-N 338.332 5.623 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587161120 KGIWEOKNKOLDLO-CHWSQXEVSA-N 345.215 5.044 0 1 EKAF C[C@H]1CC([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C)C1 587520631 AZFOSELWIINKMZ-HLFMIMNKSA-N 326.480 5.362 0 1 EKAF O=C1C[C@@H](c2c(S)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587531082 FIVJGPGOHHHUCH-SFHVURJKSA-N 349.455 5.042 0 1 EKAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587532261 KHAWLJDVYJMHDF-HSZRJFAPSA-N 346.426 5.501 0 1 EKAF CC(C)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587533608 RNTQTNWIXQWUDW-FQEVSTJZSA-N 336.431 5.101 0 1 EKAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=CC[C@@H]2CO[C@H](OC(C)=O)[C@@H]12 2356652115 PJDVTRLTGORAAO-OBZYLPMUSA-N 332.484 5.021 0 1 EKAF ClC(Cl)=C(Cl)[C@@]1(Cl)C[C@@H]1COCc1ccccc1 1629093 WLHDJGPWRKGCGB-ZWNOBZJWSA-N 326.050 5.086 0 1 EKAF CCOP(=O)(OCC)[C@@H](Nc1cccc(F)c1)c1ccccc1 1646007 WIIUAPPPPXMPEP-QGZVFWFLSA-N 337.331 5.203 0 1 EKAF CCC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5781420 NFBYYCSKVCPRSU-VUYBKYNYSA-N 340.507 5.423 0 1 EKAF CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1 13492383 UTLLHWVRVATSPI-UHFFFAOYSA-N 330.427 5.857 0 1 EKAF in-vivo c1ccc(-c2cc([C@H]3[C@@H](c4ccccc4)C[C@@H]4CC[C@H]3S4)on2)cc1 169305738 GGNBFDVFZAGDEV-XHIHJMKYSA-N 347.483 5.877 0 1 EKAF O=C(O)C[C@H](c1cccc(-c2cccc(Cl)c2)c1)c1nccs1 221078797 WAXCGWDMOGQZMV-MRXNPFEDSA-N 343.835 5.070 0 1 EKAF CCn1cccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098730 UEXVACLWQMAFFW-UHFFFAOYSA-N 338.410 5.243 0 1 EKAF O=C(c1ccnc(Cl)c1Cl)c1coc2ccc(Cl)cc12 587278482 OHJHGILICBORRU-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)co1)CC2=O 587479889 JVBOWEJIJOFLPV-OAQYLSRUSA-N 348.398 5.311 0 1 EKAF Cc1[nH]c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1C 587523840 IGAYBQDDTXCRQK-OAQYLSRUSA-N 345.442 5.370 0 1 EKAF C[C@]1(c2csc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531473 KVGROEKGOSUFCJ-GOSISDBHSA-N 332.852 5.161 0 1 EKAF CC(C)c1cc(O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531476 GOFYLSFLICFMDU-OAQYLSRUSA-N 336.431 5.101 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(OC(C)C)cc2[nH]1 587950689 BZPRSFQHMVHEMS-VCBZYWHSSA-N 330.472 5.397 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587952406 QHOHYWYMVUSSON-QOKNQOGYSA-N 328.500 5.907 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2sccc2Cl)N1 962940786 ARUKKSLLVPWSQO-VOJFVSQTSA-N 330.884 5.071 0 1 EKAF CC(C)C[C@@]1(C(C)C)c2ccsc2CCN1Cc1cccnc1 962998105 NWAWHIRFIJXCLV-HXUWFJFHSA-N 328.525 5.099 0 1 EKAF Cc1ccccc1Cn1cc(CNc2cccnc2)c2ccccc21 1772583428 MNFRCPQKOHMGAJ-UHFFFAOYSA-N 327.431 5.005 0 1 EKAF CN(C/C=C/c1cccc2ccccc12)Cc1cccc2cc[nH]c12 1772603969 OAORAGPNYURULE-WUXMJOGZSA-N 326.443 5.466 0 1 EKAF OCc1cccc(-c2ccc3cc(-c4ccc(Cl)cc4)cn3c2)c1 1857594493 BSFHBXBHVSVEBW-UHFFFAOYSA-N 333.818 5.419 0 1 EKAF CCCCOC(=O)Nc1nc2ccc(SCCCC)cc2s1 1857772094 FGICVYAJDJPPBP-UHFFFAOYSA-N 338.498 5.537 0 1 EKAF COc1cc(CC=C(C)CCC=C(C)C)c(O)cc1Br 2356610255 XJQXXTLWABCJIB-UHFFFAOYSA-N 339.273 5.399 0 1 EKAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=CC[C@@H]2CO[C@@H](OC(C)=O)[C@@H]12 2356652113 PJDVTRLTGORAAO-KBMWQNTOSA-N 332.484 5.021 0 1 EKAF CC(=O)O[C@H](C[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C)C(C)=CCO 2356729641 XXKXYCZWYIZXHT-JBPLPALLSA-N 348.527 5.046 0 1 EKAF C[C@@]12C=C(/C=C/c3ccccc3)[C@@](C)(C1)[C@H](c1ccccc1)CC2=O 7992435 LGLMIMABSGWABG-VQVDRKBCSA-N 328.455 5.799 0 1 EKAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C(C)C)c2cc(C)c(OC)cc2[C@@H]1C 13381471 FVXRNEBVBKNUDR-NIQZOYSJSA-N 330.468 5.128 0 1 EKAF CCCN(CCC)CCc1cc(Cl)ccc1OCc1ccccc1 13795723 CEKIPZCJZKWYBV-UHFFFAOYSA-N 345.914 5.584 0 1 EKAF CC1(C)[C@@H](c2nnc(/C=C/c3ccccc3)o2)[C@@H]1C=C(Cl)Cl 39137064 LRPNYOLXCZWMGV-CFPAMBERSA-N 335.234 5.299 0 1 EKAF Cc1ccc(O)cc1Nc1ccnc2cc(-c3nccs3)ccc12 45187774 HOVDXLRDSBTSOI-UHFFFAOYSA-N 333.416 5.116 0 1 EKAF CN(C(=O)C1(c2ccccc2)CCCC1)c1ccc(C(F)(F)F)cc1 49034382 FVSFOIJYVVYCBP-UHFFFAOYSA-N 347.380 5.180 0 1 EKAF Oc1cc(COc2cc(-c3ccccc3)cc(-c3ccccc3)c2)[nH]n1 95554074 OTURAYMQTGZHTM-UHFFFAOYSA-N 342.398 5.028 0 1 EKAF O=C(c1ccccc1)c1ccc2[nH]c(CC3CCCCCC3)nc2c1 328104101 SMOLDLXXMCYPTF-UHFFFAOYSA-N 332.447 5.307 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)C[C@@H]4C)-c1ccccc1C2=O 587100311 GFJQTTIVBABLBA-JSGCOSHPSA-N 327.427 5.440 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)c(F)cc2[nH]1 587240719 IKTUPIBDFQKHDY-UHFFFAOYSA-N 347.393 5.430 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2cc(Cl)c(F)cc12 587627936 COQQYTFIGJOQLB-UHFFFAOYSA-N 344.600 5.948 0 1 EKAF CCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820012 NPMHHODDYULPDV-VLAFXISESA-N 338.264 5.076 0 1 EKAF C/C(=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCCCC1 587967095 GZVSWROCPTWGJC-PEZBUJJGSA-N 348.515 6.698 0 1 EKAF Cn1c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc2ccccc21 962669234 OWRLTVSXIPHSCY-XMMPIXPASA-N 338.454 5.080 0 1 EKAF CC(C)CCCCCCCCCCCCCC=COC[C@H](O)CO 2356476403 DFQUASFMMMHMNW-OAQYLSRUSA-N 342.564 5.597 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2c1cccnc1 3797546 SHEKPCQUIGUFBA-YXPKMTABSA-N 331.459 5.337 0 1 EKAF Cc1cccc(CNc2ccnc(-c3ccccc3C(F)(F)F)n2)c1 4267057 BTSFAIHMALGXLY-UHFFFAOYSA-N 343.352 5.083 0 1 EKAF O[C@]1(c2ccccc2)[C@@H]2CC=C[C@H]2C1(c1ccccc1)c1ccccc1 5732852 YZUUYMMQSJASJE-VDKIKQQVSA-N 338.450 5.066 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCCCCC(=O)O 33822076 CDGJKEUOLAMVSS-NRFANRHFSA-N 340.592 7.749 0 1 EKAF Cc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Cl)cc21 34600097 MOJYOXVTDHXLEN-INIZCTEOSA-N 344.842 5.072 0 1 EKAF CCCCCc1cn(CCCC/C=C\CCCCCCC(=O)O)nn1 43077812 QYUUOYZAOSPWKQ-ALCCZGGFSA-N 349.519 5.163 0 1 EKAF c1ccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2OC3)cc1 72177847 IKLLCMKJCLCFOG-UHFFFAOYSA-N 325.367 5.568 0 1 EKAF Clc1ccc2c(Nc3ccc(CN4CCCC4)s3)ccnc2c1 95560808 RFVSLNVBVBUBHC-UHFFFAOYSA-N 343.883 5.289 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2F)nn1 103186311 GJKVJOZNGSQEKG-UHFFFAOYSA-N 348.299 5.402 0 1 EKAF Cc1ccc2c(c1)CCN(C)[C@@H]2c1sc2ccccc2c1Cl 144709734 VJDGPJQWEQSJGY-SFHVURJKSA-N 327.880 5.440 0 1 EKAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586909539 FIXVHTNTOKUBHW-LPHOPBHVSA-N 338.476 5.387 0 1 EKAF Cc1ccc2c3c(cc(C4CCCCCC4)nc13)-c1ccccc1C2=O 587099438 IONMABJLUDOPCP-UHFFFAOYSA-N 341.454 6.192 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3C1CCCC1 587206032 AGKWDCXWYOLKIA-HNNXBMFYSA-N 339.438 5.666 0 1 EKAF CCCC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379679 VXAFQNQXLUGFGQ-FQEVSTJZSA-N 343.854 5.282 0 1 EKAF C[C@@]1(c2cc(Cl)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530585 FWRLXJZXBXWPGF-SFHVURJKSA-N 332.852 5.161 0 1 EKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N(CC)c1ccccc1 653737557 FUAVEZQPKCJWHQ-UHFFFAOYSA-N 342.826 5.156 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(C)C4)C1(C)C 2356570582 OOFXFLVLGBRHBD-PDWJVLTKSA-N 330.512 5.207 0 1 EKAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@H](C)[C@]2(C)CCc1ccoc1 2356653179 FJPYRUGHOSNUPA-CEDBRAGKSA-N 330.468 5.164 0 1 EKAF COc1ccc(C[C@@H](/C=C/c2ccc(F)cc2)c2ccccc2)cc1 203471953 RWAARFWSOAYRAU-JYNAJPCDSA-N 332.418 5.874 0 3 EKAF CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C 26473 DNKULIGQSCRTMX-OAHLLOKOSA-N 332.447 5.081 0 1 EKAF Clc1ccccc1-c1c[nH]cc1[C@H](c1ccccc1)n1ccnc1 5974673 UIUQYKIPNAKHHU-FQEVSTJZSA-N 333.822 5.169 0 1 EKAF Cn1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)c2ccccc21 84669582 WZWXZGGAUJPYSE-UHFFFAOYSA-N 340.839 5.094 0 1 EKAF Fc1ccc(-c2ccc(-c3nnc(-c4ccccc4Cl)o3)o2)cc1 103210261 GPGDKCSPIBSVCD-UHFFFAOYSA-N 340.741 5.456 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)CCc2c(O)cc(C)cc2O1 139681288 IZABSJRYMPZMIH-IHSQGBLNSA-N 328.496 6.257 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC=C2c1cccnc1 253898313 SHEKPCQUIGUFBA-IRMYBRCSSA-N 331.459 5.337 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586891535 RLSLJQIHNPGEDV-ZANVPECISA-N 347.178 5.248 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892794 WOKACFXCTPHUQE-WPPNPWJKSA-N 347.178 5.248 0 1 EKAF CC(C)(C)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2n1 587074702 VRCMACXGIZMCNC-UHFFFAOYSA-N 339.870 5.183 0 1 EKAF CC(C)(C)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587106706 KWVKVSXCBUZHKE-UHFFFAOYSA-N 332.369 5.470 0 1 EKAF CC(C)CCC[C@H](C)CCc1cc(C(=O)O)cc(CCC(C)C)c1O 685935315 KEZVSOKCOXNINZ-KRWDZBQOSA-N 348.527 6.074 0 1 EKAF biogenic,in-vitro Cc1ccccc1Nc1nc(Nc2ccccc2)c2ccsc2n1 13385 NKMZUEILPDXGDT-UHFFFAOYSA-N 332.432 5.487 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)cc2-c2ccncc2)cc1 3832126 MIFKZJHNVONIML-UHFFFAOYSA-N 348.808 6.203 0 1 EKAF CCCC[P@](=O)(OCC)OCc1cccc(Oc2ccccc2)c1 27108802 HLAIKZZXNZXXOQ-DEOSSOPVSA-N 348.379 6.025 0 1 EKAF CC(=O)Oc1cc2c(cc1C)N(Cc1ccccc1)C(C)(C)C=C2C 66259700 FQEKUEFTCNHVBH-UHFFFAOYSA-N 335.447 5.122 0 1 EKAF CC1=C2C[C@]3([C@@H]4C=C[C@@H]5CCC[C@@]56CN46)CC[C@@H](C)[C@@]2(CC1)C3(C)C 85548252 AODNXKJFRNSFJW-ICGRTBRASA-N 337.551 5.722 0 1 EKAF biogenic,in-vitro CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@H]1C=C(C)[C@H]3CC[C@@]12C3 103128774 CJXGXOWASAFJSQ-GFJXEVPCSA-N 330.512 5.519 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 115346322 FMPUWHUXNOPVQS-SBHAEUEKSA-N 341.882 5.071 0 1 EKAF Clc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033405 UNCKMBRZZPRYOL-UHFFFAOYSA-N 339.851 5.224 0 1 EKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 587070742 WEVUPPHGXXWSGI-ZDUSSCGKSA-N 348.833 5.746 0 1 EKAF Cc1ncsc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100984 BUGRYLPZRNPFNH-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C1CC1)CC4)-c1ccccc1C2=O 587101777 VUTLEDNDRQMILW-CQSZACIVSA-N 325.411 5.194 0 1 EKAF Cc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505256 ZFWQGACOHHFYTH-IBGZPJMESA-N 326.823 5.234 0 1 EKAF Fc1ccc(-c2c(C3CCOCC3)[nH]c3cc(Cl)c(F)cc23)cc1 587630167 GKWMXSLPSWGIBB-UHFFFAOYSA-N 347.792 5.661 0 1 EKAF Fc1ccc(OCc2nc(-c3cccc(Cl)c3)cs2)c(F)c1 587921380 VRHSZGXNOPBNEQ-UHFFFAOYSA-N 337.778 5.321 0 1 EKAF CCCCNCc1cc(-c2ccccc2F)n2c1cnc1ccccc12 1857750790 LUXDSTFZLVLCJP-UHFFFAOYSA-N 347.437 5.183 0 1 EKAF Oc1cccc(CCCCCCCC=CCCCc2ccccc2)c1 2356479712 ATOJCJZNFVZOTD-UHFFFAOYSA-N 336.519 6.854 0 1 EKAF Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@@]34CO[C@H]2[C@H]14 11616178 UGGAILYEBCSZIV-JTYVBTRNSA-N 342.479 5.146 0 1 EKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)Oc1ccccc1 13738020 PZQSSDBTSXNCPC-UHFFFAOYSA-N 341.407 5.221 0 1 EKAF C[C@H]1CC[C@H]2[C@H](C1)c1c(O)cc(/C=C/c3ccccc3)cc1OC2(C)C 34189991 KCNFZTIIENBEPU-TUCATBTLSA-N 348.486 6.253 0 1 EKAF CC1(C)CCC(C)(C)c2cc(CCc3ccc(C(=O)O)cc3)ccc21 40465267 KXHLIEBAIGSNDD-UHFFFAOYSA-N 336.475 5.519 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2c(Cl)cccc2Cl)n1 72180197 UZJCCYPOZJKGLC-LBPRGKRZSA-N 341.282 5.707 0 1 EKAF Fc1ccccc1Oc1cc(NCc2cccc3ccccc23)ncn1 82067846 BOMYJSLLAOMJSP-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@H]12 96086585 JIUWTCXNUNHEGP-UNJLPGLBSA-N 342.523 5.519 0 1 EKAF in-vitro Cc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3C(=O)CC(C)(C)CC3=N2)cc1 169723774 QNUPIBHPMLFNJK-CVDCTZTESA-N 343.470 5.580 0 1 EKAF Cc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884907 RPSPNPSVDDZWGZ-RSLFNQERSA-N 345.284 5.102 0 1 EKAF CCc1c(C(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991997 LUEPJNLNEBCFNO-UHFFFAOYSA-N 331.415 5.012 0 1 EKAF FC(F)(F)c1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Cl 587025656 MAINJDHOPUSQAU-OWOJBTEDSA-N 328.746 5.467 0 1 EKAF Cc1c(F)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196324 QPDWKDLIXJANQE-UHFFFAOYSA-N 345.421 5.217 0 1 EKAF Brc1ccc2c(-c3cc4c5c(cccc5n3)CC4)c[nH]c2c1 587207010 ASJUZBNOPIMQQL-UHFFFAOYSA-N 349.231 5.244 0 1 EKAF CC[C@@H](C)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208008 PPWOBUQCFDZDMQ-HUUCEWRRSA-N 341.454 5.912 0 1 EKAF O=C(c1ccc(Cl)nc1Cl)c1coc2ccc(Cl)cc12 587279051 UXUOMJVCXOWIHH-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF CCO[C@H]1Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366602 WWBYEEZDFMJNNA-SFHVURJKSA-N 345.398 5.290 0 1 EKAF CC[C@H](C)c1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403127 JZCYSMSBUTWQIS-NYHFZMIOSA-N 337.463 5.361 0 1 EKAF Cc1cc(Cl)cc2c(OC(F)(F)F)c(-c3ccccc3)[nH]c12 587624075 DVBYUDMQODORFT-UHFFFAOYSA-N 325.717 5.695 0 1 EKAF CC(C)(C)c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963111686 RNMPXJIFYPCPQS-INIZCTEOSA-N 340.319 5.588 0 1 EKAF COc1c(O)c(C(C)C)cc2c1[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13302674 HOQDFKUSWWBYGK-HRAATJIYSA-N 330.468 5.195 0 1 EKAF biogenic CCCCC[C@H](O)/C=C/C=C\CCCCCCCCCC(=O)OC 26578918 OUTGRVCEURRXOC-SWNKSNJRSA-N 338.532 5.724 0 1 EKAF CCO[P@]1(=O)OC(c2ccc(CC)cc2)=Cc2ccc(Cl)cc21 38307052 FSWWFUYDRYQZBW-QHCPKHFHSA-N 348.766 5.286 0 1 EKAF O=C(O)CC1=C/C(=C/c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 71296306 SQPNVCUGHYUOEK-GHXNOFRVSA-N 348.295 5.257 0 1 EKAF c1ccc(Oc2ccc(NCc3coc(-c4cccs4)n3)cc2)cc1 72141222 ZXPJNLXIUSPCHE-UHFFFAOYSA-N 348.427 5.808 0 1 EKAF Clc1cc(Cl)cc(Nc2nc3c(s2)-c2ccccc2C3)c1 103228327 YJDOXWUGGMZTKL-UHFFFAOYSA-N 333.243 5.765 0 1 EKAF Fc1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1C(F)(F)F 586879225 FQYVOTYFDVFLIK-UHFFFAOYSA-N 334.316 5.655 0 1 EKAF Fc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1Cl 587023972 UAUBNGIEBXZDBL-UHFFFAOYSA-N 335.816 5.207 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587051720 USBKQTOPDDJTOC-UHFFFAOYSA-N 341.842 5.095 0 1 EKAF Fc1cc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2cc1Cl 587053230 AASABEOMEVKHSY-PLNGDYQASA-N 341.600 5.833 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2ccc3nc(C)ccc3c2[nH]1 587156230 QWBOBKMDWXMPIW-KRWDZBQOSA-N 335.382 5.089 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C=C2CCCCC2)N1 587817375 BLMVEJTZKHODTD-IAQYHMDHSA-N 338.264 5.054 0 1 EKAF CC(C)Oc1ccccc1-c1nc(-c2ccc(F)c(F)c2)cs1 587922477 SVEOLGFSDUSFGP-UHFFFAOYSA-N 331.387 5.543 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc3ccc(Cl)cc3[nH]2)N1 962952008 JRKCBMZDNDJBAZ-LHSJRXKWSA-N 349.865 5.316 0 1 EKAF CC(=O)O[C@@H]1CC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@H](O)C=C1C 2356385541 PTGSYIPWFAXRLD-ZHNGQKSSSA-N 348.527 5.354 0 1 EKAF CCC(=O)[C@@H](C)CCCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356569184 KJCICXVOGJMFPE-YWZLYKJASA-N 349.540 5.338 0 1 EKAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCC1 13725382 UVUNOGVKWSTXDF-UHFFFAOYSA-N 346.470 6.225 0 1 EKAF CC(C)=CCSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1 14964335 TYVISOOKEXZEEY-UHFFFAOYSA-N 336.464 5.274 0 1 EKAF CCOc1c(C(C)C)cc2c(c1C(C)C)C=CC1(CCCCC1)N2 28005904 ONJFGQGEHGAQAA-UHFFFAOYSA-N 327.512 6.474 0 1 EKAF Clc1ccc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)s1 28007204 RRPWCTALHQAPCA-UHFFFAOYSA-N 330.884 5.188 0 1 EKAF O=C1c2cccn2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 29218225 IYYNCDZGPWRXQT-SFHVURJKSA-N 325.820 5.160 0 1 EKAF CC/C=C\C[C@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 34961932 XLYRHVKBJYDBOS-TUDVQBCRSA-N 342.479 5.536 0 1 EKAF CCc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC)c2)ccc1O 40466756 AZJUBZWEJLKTRH-PMACEKPBSA-N 326.480 5.910 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)CO 66075154 AHRGOZPWYRFNKW-RIXXAASKSA-N 335.532 5.073 0 1 EKAF CCN(Cc1ccccc1)Cc1coc(-c2cccc3ccccc23)n1 72186557 CBPPNUSPAZLNNU-UHFFFAOYSA-N 342.442 5.517 0 1 EKAF CCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1 96173892 LJMYQSJCZOBGHG-UHFFFAOYSA-N 347.414 5.029 0 1 EKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@H]2c2cccnc2)CCC1 103524094 LOXIJKXHMQGZLD-HXUWFJFHSA-N 326.399 5.449 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1 169712341 GLGAUBPACOBAMV-AVHBIOJASA-N 343.555 6.411 0 1 EKAF CCCCCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991150 KAJAEMWFLTWNOB-UHFFFAOYSA-N 331.415 5.193 0 1 EKAF Cc1cc(Cl)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085326 SXTHUUHTRIKBSM-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587160827 HCJNQCDCDOCDEM-WDEREUQCSA-N 338.279 5.131 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4CC[C@@H]3C4)nc3cccc1c23 587208200 RKFPAOXPOJCWOF-IYOUNJFTSA-N 325.411 5.350 0 1 EKAF COC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)CCC[C@]12C 621430853 BIPDREOVFWTNOY-HAVKTDHXSA-N 348.527 5.168 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)cc(-c3cccc(Cl)c3)n2)c1 653737597 HRMUUDNYEGFSSA-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCC[C@@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962661948 IPSLXYZECQXABJ-QPPBQGQZSA-N 333.519 6.075 0 1 EKAF Cc1cc(Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)nc(N)n1 1772623998 KISKIKXSVFCMEJ-UHFFFAOYSA-N 345.233 5.085 0 1 EKAF CN(Cc1ccccc1)Cc1ccc(-c2nc3ccccc3o2)cc1 1857553273 CRCZTHCIDYEGRT-UHFFFAOYSA-N 328.415 5.127 0 1 EKAF CCc1ccc([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)cc1 1857761308 QJWAXXMFUWHVEF-HPBYZVIZSA-N 338.491 6.246 0 1 EKAF CC=CC=Cc1c(CC=C(C)C)cc(C=CC(C)C)c(O)c1CO 2356325291 NVUSBASFOHXSDP-UHFFFAOYSA-N 326.480 5.652 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)C[C@@]12CS2 2356521449 YQPXGHUOOLIGIF-PFNZFSBPSA-N 348.596 5.512 0 1 EKAF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc4ccoc4cc3O[C@H]21 2356619019 QXWUDAROFYQULE-HTAPYJJXSA-N 348.398 5.257 0 1 EKAF CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)O)c3)ccc21 13560350 GPLSMLHEZAREAH-SOFGYWHQSA-N 338.447 5.317 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cccs2)o1 13611961 CFBRVIBLBRUALR-UHFFFAOYSA-N 339.460 5.779 0 1 EKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc3ccccc3c2)C(=O)O)cc1 27525716 SYUHLJGOEOJTMZ-QHCPKHFHSA-N 348.442 5.428 0 1 EKAF c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1 36221500 OIAARQYDFVPWDI-UHFFFAOYSA-N 341.458 5.096 0 1 EKAF COc1cccc([C@@H](C)Nc2cc(-c3ccc(C(C)C)cc3)ncn2)c1 82162265 ZILKJQIHGHJQRG-MRXNPFEDSA-N 347.462 5.449 0 1 EKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2)o1 82162535 NPTUOYGNLSVUPR-KDOFPFPSSA-N 348.450 5.098 0 1 EKAF CCCCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2 95592096 GQAHVTVECDJDGP-WMQCIHAUSA-N 329.484 5.318 0 1 EKAF CCCC[C@@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1-c1ccccc1 221354660 UJDGZEPGYJKQPN-GOSISDBHSA-N 337.419 5.065 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)cc(-c3cccc(O)c3)n2)c1 473135640 QNOFJOUOUVHGOM-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586909538 FIXVHTNTOKUBHW-APWZRJJASA-N 338.476 5.387 0 1 EKAF CC1=CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989822 FQLPSWICULNCRW-UHFFFAOYSA-N 341.410 5.137 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1c(O)cccc1C4)-c1ccccc1C2=O 587100514 BDVRAWSIWYPDSB-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4C1CC1)-c1ccccc1C2=O 587101391 SRBFKIRFRIKEFB-AWEZNQCLSA-N 325.411 5.194 0 1 EKAF Cc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1C 587163088 GTVRQRUFYJZMNZ-SFQUDFHCSA-N 348.446 5.969 0 1 EKAF Cc1ccc(NC2(c3nc4ccc5ncccc5c4[nH]3)CCCC2)cc1 587237517 RTLCFBOEJUYSDP-UHFFFAOYSA-N 342.446 5.301 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1Cl)CC2=O 587468706 ZBVKKZNAYBDZPL-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C3CCCC3)C1)CC2=O 587476736 AQSVDHKAPJGMOM-QVKFZJNVSA-N 328.452 5.039 0 1 EKAF CC(C)c1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cc1 587633345 AUPSVZAREZAJLT-UHFFFAOYSA-N 349.327 5.842 0 1 EKAF CCCCC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857756180 KOKPUXMYQQCMAR-UHFFFAOYSA-N 342.442 6.117 0 1 EKAF CCCCC=CCCCCCCCCCCCCCCOC(C)=O 2356535673 GWNRZLCMKVGFLN-UHFFFAOYSA-N 338.576 7.367 0 1 EKAF C=C(c1ccccc1C)c1ccc(Nc2ccccc2N)cc1Cl 13531331 INHFBGJAGMGYSQ-UHFFFAOYSA-N 334.850 6.036 0 1 EKAF CCCCCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O 45289448 HEJDCNFLUWHRKJ-CYBMUJFWSA-N 343.901 5.465 0 1 EKAF COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)C(C)(C)C)cc1 61942354 HTUPCAPIZVAUOT-LAUBAEHRSA-N 349.474 5.169 0 1 EKAF C[C@@H](CC(=O)O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 71332862 GUUJYCWYHBMJMJ-JTQLQIEISA-N 325.191 5.364 0 1 EKAF Fc1cccc(-c2nc(Nc3ccccc3)c3cc(F)ccc3n2)c1 72116430 YHOWHFOIYIUABT-UHFFFAOYSA-N 333.341 5.319 0 1 EKAF CC(=O)O[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 96907188 YUAQBFTWNHXSHR-MEOKCCQFSA-N 330.468 5.094 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H]1CC(CC(=O)OC)=NO1 100837711 ZGSIAFXGTKZNHI-HWQZFHCESA-N 345.483 5.280 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(C3CCCCC3)cc21 144734103 KOWBWHUEZOGAAG-IBGZPJMESA-N 332.365 5.513 0 1 EKAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(/C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169368126 BKJINAIBPPZCQQ-DBXYYZFYSA-N 348.527 5.354 0 1 EKAF CCCCCc1oc(/C=C\CCCCCCC(=O)OC)c(C)c1C 238773866 KHRZULHEQLVQNI-QINSGFPZSA-N 334.500 6.156 0 1 EKAF Fc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(F)c1 587149961 IHHQPMVLAVJWCE-YRNVUSSQSA-N 348.352 5.804 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC)(C1CCCCC1)CC2=O 587489243 NRSGWZNCIDRZEY-NRFANRHFSA-N 330.468 5.429 0 1 EKAF CC(C)(c1ccccc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521181 DFAFYYYVQNBIBD-QHCPKHFHSA-N 334.459 5.267 0 1 EKAF C[C@@]1(c2cccc(C3CC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524101 NFNNQJGITDXYMT-QHCPKHFHSA-N 332.443 5.323 0 1 EKAF Cc1cc(OCCc2c(C)[nH]c3c(C)cc(Cl)cc23)ccc1Cl 587623257 BSHSTYIZDDNWEX-UHFFFAOYSA-N 348.273 6.021 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587629602 DHAQZYQMDBNUMZ-UHFFFAOYSA-N 341.735 6.209 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)(F)F)c2c1 587641261 LZHUSIXONZDSGA-JTQLQIEISA-N 335.325 5.686 0 1 EKAF Clc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587948415 BSBRXHWSKJFITD-UHFFFAOYSA-N 334.806 5.599 0 1 EKAF COc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1C 587951803 RWUGJMAJLMTBIH-AWEZNQCLSA-N 332.403 5.173 0 1 EKAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)CCC[C@H]2C 2356387371 QQAWVLSYYFBHKY-CYBMUJFWSA-N 342.435 5.199 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 5601604 FSRTVMCHXYGCQF-SQBPBYRNSA-N 326.480 5.032 0 1 EKAF CCCCCC[C@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 5973150 MWDHHFCRLCUIMN-KRWDZBQOSA-N 326.868 5.206 0 1 EKAF C/C(=C\CCc1ccoc1)C[C@H](O)C[C@@H](C)CCCc1ccoc1 6020607 SFDYMPBPKHWFDV-MQPQBDNESA-N 330.468 5.552 0 1 EKAF c1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 13588155 CGDLXUGHZUDIDJ-UHFFFAOYSA-N 342.427 5.583 0 1 EKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccccc3)cc12 14945733 WKWIUSVAWQBTSV-UHFFFAOYSA-N 345.368 5.526 0 1 EKAF CC(C)N(C(=O)N1c2ccccc2Sc2ccccc21)C(C)C 39316664 RSDPPDLPSMZJPP-UHFFFAOYSA-N 326.465 5.528 0 1 EKAF in-vivo COC(=O)C1=C(C)N(c2cccc(C)c2C)C=C(C)[C@H]1c1ccccc1 52566327 LBRKLVUYYHWYMV-NRFANRHFSA-N 347.458 5.258 0 1 EKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccc(Cl)cc1 84729756 XECLBYVJWQYBLT-JOCHJYFZSA-N 346.861 6.331 0 1 EKAF COc1ccc(Cl)cc1C(=S)Nc1ccc(Cl)c(Cl)c1 84741628 AZJVWNKTNKCXJF-UHFFFAOYSA-N 346.666 5.443 0 1 EKAF Fc1cc(F)cc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1 166714593 NMPBOCLXSWZRPX-DAFODLJHSA-N 333.341 5.074 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@@H]2CC[C@@H]1N2C 169368211 RBRMVWHMOIEQRO-AGQAUITCSA-N 349.518 5.509 0 1 EKAF CC1=CCC[C@]2(C)[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O 238778614 TXJPJZWNYUQWCP-JJCGOBCMSA-N 328.496 5.829 0 1 EKAF Cc1ccc2c3c(cc(CCc4ccco4)nc13)-c1ccccc1C2=O 587101252 LHRSKFTVJZQBSF-UHFFFAOYSA-N 339.394 5.133 0 1 EKAF CC[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587101953 XTDZDUQLXGOFFB-AWEZNQCLSA-N 327.427 5.270 0 1 EKAF Fc1ccc2c(-c3nc4cc(Br)cc(F)c4[nH]3)coc2c1 587175797 WGPWMTHFAIGNPW-UHFFFAOYSA-N 349.134 5.017 0 1 EKAF CC(C)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@H]1C 587208411 VTMJERPDDSOIIH-KDOFPFPSSA-N 341.454 5.453 0 1 EKAF O=C1c2ccccc2-c2cc(Cc3ccsc3)nc3cccc1c23 587208571 VDXJLWWIHZQCST-UHFFFAOYSA-N 327.408 5.099 0 1 EKAF O=C1C[C@H](c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587506814 POHDZMIJUZYFFL-GOSISDBHSA-N 330.786 5.064 0 1 EKAF Cc1ccccc1C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520799 AVYNMDVIGQCOIJ-XMMPIXPASA-N 346.470 5.231 0 1 EKAF O=C1C[C@H](c2ccc(-c3ccccc3)o2)Oc2c1ccc1c2CCCC1 587529353 AFVBQWJMIIAWER-JOCHJYFZSA-N 344.410 5.532 0 1 EKAF CC(C)[C@@H]1C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963114146 WYVKXFVLJFNYGA-JXFKEZNVSA-N 346.301 5.526 0 1 EKAF CCCN1[C@@H](CCc2cnc3ccccc3c2)c2ccccc2C[C@H]1C 963236642 GJPBQYJUXWHOFE-KOSHJBKYSA-N 344.502 5.565 0 1 EKAF CC(C)=CCCC(C)=CCN(CC=C(C)CCC=C(C)C)C(=N)N 2356338507 ZEAAMJFQDIQIDJ-UHFFFAOYSA-N 331.548 5.567 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC=C(C)[C@@H]2CCC(C)=CCO)C1(C)C 2356467165 FVVNLEXAZHEDCJ-GPQLQYNLSA-N 348.527 5.046 0 1 EKAF COc1ccc(-c2c(-c3ccccc3OC)oc3ccccc23)cc1F 36388958 SYAIRAPJWGZHRK-UHFFFAOYSA-N 348.373 5.923 0 3 EKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 61906753 YOLLXYSCPZSRRI-OAHLLOKOSA-N 336.243 5.199 0 3 EKAF C/C=C(\C)C(=O)N1c2ccccc2C[C@@H]1c1c(C)[nH]c2ccccc12 1623005 ADJKOMYUQDNKDG-DOLLRIEOSA-N 330.431 5.073 0 1 EKAF O=C(O)Cc1ccccc1Oc1c(Cl)ccc(Cl)c1Cl 28768774 SMEBQKOEZJSVSV-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF CC(=O)O[C@H]1CC/C=C/CC/C(C)=C/C[C@]2(C(C)C)CC[C@@]1(C)O2 33952430 JGYQPJGHMBZUTL-RWLANVBESA-N 334.500 5.349 0 1 EKAF biogenic,in-vitro O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 35271789 RKIABCCHAFIJGL-UHFFFAOYSA-N 340.382 5.261 0 1 EKAF O=C(NC12CC3CC(CC(C3)C1)C2)Oc1cccc(-c2ccccc2)c1 40410679 STNJKWWAIGCDRW-UHFFFAOYSA-N 347.458 5.411 0 1 EKAF in-vivo Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1F 40465036 SGNZAFCAYMEJNU-UHFFFAOYSA-N 327.402 6.463 0 1 EKAF CCN(CC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1 40860105 JNCUXGASTFMNNI-UHFFFAOYSA-N 336.523 5.181 0 1 EKAF Cc1ccc(-c2ccc3nccc(Nc4cccc(C)c4C)c3c2)cc1 58520177 KZAUGELBXZQFOM-UHFFFAOYSA-N 338.454 6.571 0 1 EKAF CC(C)n1cncc1-c1cccc(OCc2ccccc2Cl)c1 103199982 JMHZHKWXTUIAST-UHFFFAOYSA-N 326.827 5.363 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C\CC[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 169340645 QPIUBKNTZMBLLI-QRSOPVOQSA-N 348.527 5.044 0 1 EKAF CCC(=O)[C@H]1[C@H](c2ccc3cc(C(C)C)ccc3c2)C[C@H]2CC[C@H]1N2C 261146803 OBQNBIYHGKLYKZ-GBAAUQCPSA-N 349.518 5.509 0 1 EKAF Fc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587049499 MBORHHQGYIMTRZ-HTQZYQBOSA-N 339.172 5.419 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3cnc4ccccc4c3[nH]2)c1 587153564 USVUUKZMXDYFEZ-UHFFFAOYSA-N 339.373 5.584 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3cc4ccccc4cc3[nH]2)cc1 587165329 QSMSJFIIGJBLNM-UHFFFAOYSA-N 344.414 6.251 0 1 EKAF CCCC[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208223 SNAJSLHTLZBKSF-OAHLLOKOSA-N 341.454 5.741 0 1 EKAF CC(C)COc1cccc(C(=O)c2coc3ccc(Cl)cc23)c1 587277803 CXKTVEMCXQJZJY-UHFFFAOYSA-N 328.795 5.352 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1F)CC2=O 587465508 FGAIQMJPNACSGD-LJQANCHMSA-N 348.801 5.018 0 1 EKAF Cc1c(C)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587523321 HQSJPGGYHKSOKK-JOCHJYFZSA-N 348.486 5.814 0 1 EKAF Cc1cccc(-c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)n1 587629788 HQDXAFPIYZTTOH-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638063 IQBLENZZCDQXRA-UHFFFAOYSA-N 348.229 5.792 0 1 EKAF Cc1cc(C)n(C[C@H](C)c2nc(-c3cccc(Cl)c3)cs2)n1 587920871 OWFLIGVBNFVSNC-NSHDSACASA-N 331.872 5.081 0 1 EKAF Fc1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1F 587922194 LPQWWEYGKOJBFE-UHFFFAOYSA-N 341.304 5.774 0 1 EKAF O=C(Nc1ccc2scnc2c1)c1ccc(-c2ccccc2)s1 621471753 IOVWEPYUABYERC-UHFFFAOYSA-N 336.441 5.277 0 1 EKAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356443126 ATEJLEVEJWUXMA-VMFDMDGKSA-N 344.539 5.007 0 1 EKAF OCc1c(Cl)c(Cl)c(-c2ccc(O)cc2)c(Cl)c1Cl 22579 KGRYFAGKEOPAAA-UHFFFAOYSA-N 338.017 5.165 0 1 EKAF CCC[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 1546832 SHDMBRVUFHSAHT-HNNXBMFYSA-N 338.513 5.333 0 1 EKAF CO[C@@H]1C=C(C)[C@]2(C)CC[C@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@H]2C1 14446874 CGVBOYIYAFIARZ-WMPOZFHUSA-N 336.516 5.301 0 1 EKAF biogenic c1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947257 CLKWCAVWZNMVJM-UHFFFAOYSA-N 344.502 5.939 0 1 EKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4cccc(F)c4)[nH]c23)O1 34620982 GEDGXDYXRDGMGQ-UHFFFAOYSA-N 346.405 5.626 0 1 EKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 36452610 VJQJLWQXARUKBF-BPNMPVEJSA-N 332.528 5.249 0 1 EKAF biogenic CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=CC(C)(C)[C@@H]2C[C@H]1C2(C)C 40846791 XVMVRFZWXUSRHZ-LTEQKDEISA-N 326.480 5.705 0 1 EKAF Clc1cccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)O2)c1 40952300 QZAJFOSCCSZFJX-CQSZACIVSA-N 328.582 5.054 0 1 EKAF COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(Cl)CC[C@]4(C)[C@H]3CC[C@]12C 49051216 POORVNMKPVLDLN-YFWFAHHUSA-N 348.914 5.471 0 1 EKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2=O 66258415 XFGMXCGGNWTDQZ-UHFFFAOYSA-N 338.838 5.574 0 1 EKAF C[C@H](Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl 72125173 HKWBSSPPZCQEOJ-NSHDSACASA-N 345.830 5.184 0 1 EKAF O=C(O)c1ccc2c(c1)cc(-c1ccc(F)cc1)n2-c1ccc(F)cc1 201717191 PVMWGAPSZGASHL-UHFFFAOYSA-N 349.336 5.274 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(F)c2F)[C@@H](c2ccc(O)cc2)C1 299826042 RDAIYPYLHQHYKX-OAHLLOKOSA-N 348.368 5.163 0 1 EKAF Cc1ccc(-c2nnc(C3=C(Cl)c4ccccc4CCC3)o2)cc1 299869917 VQQSDTUNCWTXCY-UHFFFAOYSA-N 336.822 5.488 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095557 KQGXGISCJDOYAZ-UHFFFAOYSA-N 333.357 5.128 0 1 EKAF Cc1ccc(C)c(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1 587208098 YZBKMKJEFUBETO-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF C[C@H]1CCCCCCCCCCCCc2nc3cccc4c3c(c21)CC4 587215195 IZPCUQBAQORVDQ-IBGZPJMESA-N 349.562 7.284 0 1 EKAF O=C1C[C@]2(CCC[C@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587521448 CBXWMCINSSXBRD-CYFREDJKSA-N 346.470 5.312 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c(-c3ccccn3)c2c1 587643196 BRZQISFVSQXRHN-OAHLLOKOSA-N 327.431 5.805 0 1 EKAF CCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820010 NPMHHODDYULPDV-PVSKIIAASA-N 338.264 5.076 0 1 EKAF Cc1c(Cl)ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959344 QNLAEGGNPLKEIC-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC/C(=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(C)cc1 587968961 XFHJQDDSHYEHFO-XYOKQWHBSA-N 342.345 5.143 0 1 EKAF CCCc1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)s1 962670039 QELQQEUVHGKMNI-HSZRJFAPSA-N 347.527 5.777 0 1 EKAF Fc1ccc(Nc2ncncc2-c2ccccc2C(F)(F)F)cc1 4264576 KGLWGKSRHOVICM-UHFFFAOYSA-N 333.288 5.045 0 1 EKAF Fc1cc(Cl)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1 13488902 OLMZUNXQMRIJHO-UHFFFAOYSA-N 345.870 6.101 0 1 EKAF CCCCOc1ccc(CC(=O)O)c(Oc2ccc(C)cc2Cl)c1 28766355 GRYYIXONSAZDIO-UHFFFAOYSA-N 348.826 5.247 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C/C(C(=O)O)=C(\C)C(=O)O 38494018 WYCNRYCNFKZZEF-PYBNABTASA-N 334.456 5.281 0 1 EKAF CNc1ccc(/C=C/c2ccc(OCCCCCCF)cc2)cc1 45245117 SRAKOTPBRHFCNM-VOTSOKGWSA-N 327.443 5.807 0 1 EKAF NC[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1 72114437 ABMWLOGCDSAWPT-FQEVSTJZSA-N 339.891 5.582 0 1 EKAF c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)cc1 72175651 UKZGRTDHCKYTGR-UHFFFAOYSA-N 341.435 6.037 0 1 EKAF COc1cc(Cl)ccc1-c1nc2cc(Cl)c(Cl)cc2o1 84732952 IAPYDVNDFIEWFG-UHFFFAOYSA-N 328.582 5.464 0 1 EKAF CC1=C(CC(N)=O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1 95587104 LGQQXFLHICRHFS-GRSHGNNSSA-N 335.422 5.152 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H]1C=C(C)[C@H]3CC[C@@]12C3 103128768 CJXGXOWASAFJSQ-KINXCBNHSA-N 330.512 5.519 0 1 EKAF C/C=C(/C)C(=O)OCc1c2c(C)cccc2c(OC)c2occ(C)c12 238769774 ULYFPYZJDAAFDV-SDQBBNPISA-N 338.403 5.221 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccccc1Cl 299845071 IVFPOLVYGMGRKB-HDAAZOAOSA-N 338.834 5.040 0 1 EKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023703 OZLIALTYIXXRIS-UHFFFAOYSA-N 345.349 5.372 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027685 FWAWVFVFAPPFBL-UHFFFAOYSA-N 333.460 5.651 0 1 EKAF Cc1ccc2c3c(c(C(C)C)c(C(C)C)nc13)-c1ccccc1C2=O 587099125 AMPAUJIARVCMND-UHFFFAOYSA-N 329.443 6.001 0 1 EKAF CCC[C@H]1CC(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206284 CCUFALNJDOJDSJ-HNNXBMFYSA-N 339.438 6.137 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587234478 GLFYLURYDJAGNF-UHFFFAOYSA-N 333.822 5.592 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2CC2)C3)c1 587367844 XWDZZMDACURDGN-QGZVFWFLSA-N 341.410 5.706 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1C)CC2=O 587460342 LYPULIYGNPORCP-GOSISDBHSA-N 330.811 5.013 0 1 EKAF COc1ccc(-c2oc3ccccc3c2-c2ccc(F)c(F)c2)cc1 1857630917 DJWXIPYTKZEJQU-UHFFFAOYSA-N 336.337 6.054 0 1 EKAF Clc1ccccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1 1857752776 RQOOXOSQHDYSOJ-UHFFFAOYSA-N 331.806 5.255 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OCC=C(C)CCC=C(C)C 2356770023 UMIJNJJRYSRDPG-INIZCTEOSA-N 346.467 5.398 0 1 EKAF CC[C@@H](CCC=C(C)C)C(=O)N(Cc1ccccc1)c1ccccc1 36387653 DXQLPZFVWKEURV-NRFANRHFSA-N 335.491 5.992 0 3 EKAF CSc1ccc([C@H]2CN3CCC[C@@H]3c3c(Cl)cccc32)cc1 26668450 TXNKGWKKEXRIAI-SJLPKXTDSA-N 329.896 5.344 0 1 EKAF CCC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 45352271 DWIATUOXMDFPNE-ARSFUWKMSA-N 328.496 5.673 0 1 EKAF Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1 66157027 BJIZSNKTBYAOCG-BKXMBWNOSA-N 347.502 5.082 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1ccc(OC)cc1 71282294 DMJRKYUIWNTCLC-HSZRJFAPSA-N 348.490 5.096 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 169644780 QPIUBKNTZMBLLI-MFGUNVJNSA-N 348.527 5.044 0 1 EKAF COc1cc2nc(C)c(-c3ccc(F)cc3C)c(O)c2cc1Cl 299823650 RSPMDXWEXCWSIA-UHFFFAOYSA-N 331.774 5.025 0 1 EKAF Cc1nc2ccc(O)c3c2c(c1[C@@H](C)CC(C)C)-c1ccccc1C3=O 586992281 UWOYLVQANSBZJF-ZDUSSCGKSA-N 345.442 5.610 0 1 EKAF Cc1cc(Br)cc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587148984 LKFVDORENSSBBU-HYXAFXHYSA-N 349.178 5.082 0 1 EKAF N[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)c1cccc2ccccc12 587258234 BRILIBLWENAOQE-FQEVSTJZSA-N 337.426 5.112 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(C)C)CC1)CC2=O 587478344 FRUUUOGTSHMCJJ-VFNWGFHPSA-N 330.468 5.285 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C)cc(C)cc3[nH]1)CC2=O 587487958 WSKIMSDRLIOLNG-OAQYLSRUSA-N 349.430 5.149 0 1 EKAF C[C@]1(c2coc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587533347 PUNPOFRMONONIJ-JOCHJYFZSA-N 332.399 5.192 0 1 EKAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 587640623 HHDXOWHJOPYZOL-LLVKDONJSA-N 341.373 5.196 0 1 EKAF CSc1ccc(-c2csc(COc3ccc(C)cc3)n2)cc1 587925933 WDDYLZRUPMMRAY-UHFFFAOYSA-N 327.474 5.419 0 1 EKAF Cc1ccnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 587957286 JZHAWFPPCALJHY-UHFFFAOYSA-N 345.487 5.185 0 1 EKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3[C@@H](C)CC[C@@H]12 2356478923 YDDRLCGKYATUCE-DJOJIIQUSA-N 346.643 7.964 0 1 EKAF C[C@]1(Oc2cccc(F)c2)CCN(Cc2ccc3ccccc3c2)C1 61902974 WLIHGYRAYCAZCP-QFIPXVFZSA-N 335.422 5.022 0 3 EKAF CC/C=C\C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27643271 CSXQXWHAGLIFIH-IAFPISFPSA-N 344.495 5.520 0 1 EKAF in-man CC(C)C[C@H](c1cccc(O)c1)[C@@H](CC(C)C)c1cccc(O)c1 28223268 ODHGVCQLDXSHQR-SZPZYZBQSA-N 326.480 6.057 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc2c(c1O)C[C@H](CC=C(C)C)C(C)(C)O2 36375240 QUFMMGVKRWKOGH-KBPBESRZSA-N 346.467 5.013 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1cccc(OC)c1 38542842 UBQSWHCCGDHDKF-HSZRJFAPSA-N 348.490 5.096 0 1 EKAF CCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21 43120529 KRWLDGSOXOZAQJ-UHFFFAOYSA-N 341.454 5.998 0 1 EKAF CCCCCc1cc(CN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45390560 DTVYJVHOPLCENZ-RTBURBONSA-N 327.512 5.489 0 1 EKAF COc1ccc(-c2ccc(OC)c3ccccc23)c2c1C=NC(C)(C)C2 64447788 FYTMSSUMFAGMRM-UHFFFAOYSA-N 345.442 5.278 0 1 EKAF CC(C)c1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64560356 IGIISZVGMOLQOQ-UHFFFAOYSA-N 347.892 6.459 0 1 EKAF C[C@@H](NCc1coc(-c2ccc(C(C)(C)C)cc2)n1)c1ccccc1 72186516 MYAVPOOSEMNELZ-MRXNPFEDSA-N 334.463 5.490 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162215 NOSVXTXDFJCPSY-APWZRJJASA-N 337.511 5.894 0 1 EKAF CC(C)=CCC/C(C)=C\CN(C/C=C(\C)CCC=C(C)C)C(=N)N 84154159 ZEAAMJFQDIQIDJ-LRVMPXQBSA-N 331.548 5.567 0 1 EKAF biogenic,in-vitro C[C@H]1[C@@H]2Cc3ccc(Cl)cc3[C@]1(C)CCN2Cc1ccccc1 100719879 SFRKZPDHORQPCB-ONGXBYRLSA-N 325.883 5.064 0 1 EKAF CCC1=C(CCC(C)C)/C(=C/[C@H](C)CCC[C@@H](C)CC(=O)O)CCC1 263621220 XIXDFZCDSAMZDB-RLPGOOFBSA-N 348.571 7.157 0 1 EKAF in-vitro Oc1ccccc1-c1cc(-c2ccsc2)c2c(n1)-c1ccccc1C2 473249284 UBPJJFNUMUTGSK-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF Clc1cc(Cl)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586904545 WSBHAKABAGEQHV-UHFFFAOYSA-N 331.202 5.401 0 1 EKAF COc1cccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)c(Cl)c2)c1 587052007 JEBNLTILFWSKOF-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF CCc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082719 CTRHMZPECRAQEZ-UHFFFAOYSA-N 342.229 5.647 0 1 EKAF CCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526712 ZHQQEOUCZKKSHI-NRFANRHFSA-N 336.431 5.061 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(F)c(F)c(F)c2[nH]1 587952417 QMFBUPJBQATHKC-BREBYQMCSA-N 326.362 5.027 0 1 EKAF CC[C@H](C)Oc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1Cl 963024503 NPTDRKKFZAGQLS-BBATYDOGSA-N 349.927 5.431 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356610783 YHSXZFQEBITFKT-JOCHJYFZSA-N 326.480 6.338 0 1 EKAF c1ccc2c(c1)CCc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12 5390479 JWPGJRXJVYVORQ-FCHUYYIVSA-N 346.518 5.188 0 1 EKAF C=C(c1cc(Cl)ccc1O[C@H](C)c1ccsc1)n1ccnc1 28765555 BKCFQJSFDAFXNM-CYBMUJFWSA-N 330.840 5.257 0 1 EKAF Clc1ccc2nc3c(c(-c4ccccc4)c2c1)Cc1ccccc1-3 34204242 GLTHUTVAZAQMQQ-UHFFFAOYSA-N 327.814 6.126 0 1 EKAF CC(C)=CCC/C(C)=C\Cc1c2occc2c(O)c2ccc(=O)oc12 38212525 VLZSECOGKOKMBC-AUWJEWJLSA-N 338.403 5.480 0 1 EKAF CN[C@H](C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1 40979389 UDPHDSFZPAJMRT-SNVBAGLBSA-N 326.223 5.075 0 1 EKAF COc1ccc([C@@H](Sc2ccc(Cl)cc2)c2cccnc2)cc1 43024677 SFODNIWQXLDPLG-LJQANCHMSA-N 341.863 5.625 0 1 EKAF CC[C@H]1CCCCN1c1cc(Oc2ccc3ccccc3c2)ncn1 82067314 NSWAXGXHBWZBFR-SFHVURJKSA-N 333.435 5.191 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)nc(-c3ccccc3Cl)c2)c1 95556298 KSCWXMDSXGEOEC-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Cc1nc2ccccc2cc1-c1nnc(-c2ccc(C(C)C)cc2)o1 103272076 SBBPAGZAJHNPPP-UHFFFAOYSA-N 329.403 5.384 0 1 EKAF CC(C)=CCC/C(C)=C/CNCCCOC1C2CC3CC(C2)CC1C3 169347382 VAZSUDZWELTYLG-QGMBQPNBSA-N 345.571 5.500 0 1 EKAF Cc1ccc2oc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587532244 KAMVHPQBTDBOEH-NRFANRHFSA-N 346.426 5.635 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(OC)cc3)c2c1 587644052 ZNQROENDIKGYDZ-ZDUSSCGKSA-N 336.435 5.251 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3cnccn3)c2c1 587644497 XQHCNVWICZBGAB-OAHLLOKOSA-N 327.431 5.805 0 1 EKAF Fc1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1 587922048 IAMOKHPJBYXSAI-UHFFFAOYSA-N 337.778 5.321 0 1 EKAF COc1ccc2c(c1)[C@](C)(c1c(C)[nH]c3ccccc13)N(C(C)C)CC2 962095827 WVIKZOUBRHXTOT-HSZRJFAPSA-N 348.490 5.015 0 1 EKAF CSc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962665458 IFBJQIFBRDOOHT-JOCHJYFZSA-N 349.474 5.450 0 1 EKAF Oc1ccc(-c2nc(-c3ccc4c(c3)Oc3ccccc3O4)no2)cc1 1857602627 UXAQBLYLQAFMCU-UHFFFAOYSA-N 344.326 5.007 0 1 EKAF Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccccc4)C3)CC2)cc1 13603953 RIRRORJZVJGNAL-LJQANCHMSA-N 345.486 5.365 0 1 EKAF CC[C@H](c1cc(O)ccc1Cl)[C@@H](CC)c1cc(O)ccc1Cl 27650067 RAOOGWHROGLOTA-OKILXGFUSA-N 339.262 6.092 0 1 EKAF Cc1cc(CCCCCCCOc2ccc(OC(C)C)cc2)on1 27867202 QWJWYAAXKAEXQI-UHFFFAOYSA-N 331.456 5.342 0 1 EKAF CN[C@@H]1CC[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29320572 BSEAIIVNBLDSER-YVEFUNNKSA-N 339.788 5.545 0 1 EKAF Clc1ccc([C@@H](CCc2ccccc2)Cn2ccnc2)c(Cl)c1 33493892 KWVXISRJXXQACH-INIZCTEOSA-N 345.273 5.607 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)C 38146669 NARAPOUIUKBGJL-AIBIWWTJSA-N 345.571 6.657 0 1 EKAF Cc1nn(-c2ccccc2F)c2cc(N[C@@H](C)c3ccccc3)ncc12 40957761 DQZJBCXRJVKIME-AWEZNQCLSA-N 346.409 5.041 0 1 EKAF C[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C 64633750 GVFFAMRIFGYUEO-NGBWJPMMSA-N 344.627 7.718 0 1 EKAF in-vitro CC(C)C(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 71318354 DZDMSTWDCYESON-UHFFFAOYSA-N 330.840 5.544 0 1 EKAF Cc1nccc2c3ccc(OCCC(C)C)cc3n(CCC(C)C)c12 95556845 CYNQFAAXQWCODJ-UHFFFAOYSA-N 338.495 5.969 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nccc(C)c4[nH]3)cc2)CC1 586879004 CLIKVDCPFYCCHA-IYARVYRRSA-N 347.506 6.397 0 1 EKAF CCc1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2c1 587011736 BXEHONCHFWVYFC-UHFFFAOYSA-N 333.460 5.533 0 1 EKAF CC(C)(C)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131738 SKBIMQTXMHILHD-UHFFFAOYSA-N 340.417 5.742 0 1 EKAF C/C=C/COc1ccc(Cc2c(C)nc3cccc4c3c2CC4)cc1 587213548 JBNDWYODANWSEV-ONEGZZNKSA-N 329.443 5.188 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccccc1)CC2=O 587486273 XJRVNZGNNXSWOS-XMSQKQJNSA-N 336.431 5.016 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cnc4ccccc4c3[nH]2)cc1 587565378 FDEDTVGZKNWPON-UHFFFAOYSA-N 345.446 5.378 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C)c2c1 587643090 RFLKVFYCXDETTO-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF CCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820779 QZKAUTBQDGAFHG-TYKKZFCYSA-N 338.264 5.076 0 1 EKAF CC(C)C(C(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821426 UYXTZIAEAPEFPK-APPDUMDISA-N 342.296 5.092 0 1 EKAF CC(C)C(C(C)C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821428 UYXTZIAEAPEFPK-GTNSWQLSSA-N 342.296 5.092 0 1 EKAF CC(C)C(C(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821429 UYXTZIAEAPEFPK-PIGZYNQJSA-N 342.296 5.092 0 1 EKAF CC(C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922825 HKRSDDDRKOUILH-UHFFFAOYSA-N 336.435 6.221 0 1 EKAF CC(C)CN(CC[C@H](O)c1ccc2ccccc2c1)Cc1ccccc1 653843545 ZFRQCSMTENKNSP-DEOSSOPVSA-N 347.502 5.422 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)c1cccc(Cl)c1F 963228054 KLURVLDEVIPAIN-VFNWGFHPSA-N 345.889 5.789 0 1 EKAF O=C(c1cccc2ccccc12)n1c(C2CCC2)nc2ccccc21 1772635323 GTIHQUYQNCEOJM-UHFFFAOYSA-N 326.399 5.146 0 1 EKAF CC(=O)O[C@@H]1CCC=CCCC(C)=CC[C@@]2(C(C)C)CC[C@@]1(C)O2 2356355972 JGYQPJGHMBZUTL-NJYVYQBISA-N 334.500 5.349 0 1 EKAF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@@H]2O1 2356413040 KYRQYILNTDFRHT-RDIJVOARSA-N 336.516 5.429 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]21)C[C@@]54C 2356511077 WYLVTNMKAPOYHN-GEQYQGOYSA-N 330.512 5.208 0 1 EKAF Cc1cc(=O)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(C)[nH]1 15097 VSCDKTPCBYFQQA-UHFFFAOYSA-N 325.795 5.104 0 1 EKAF CCCC[C@H]1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3831952 YKQNBGVCIMLMLA-OAQYLSRUSA-N 347.502 6.893 0 1 EKAF Clc1ccc(O[C@H](c2ccccc2)C2CCNCC2)cc1Cl 13530966 VWLINDDJWYYHPU-GOSISDBHSA-N 336.262 5.113 0 1 EKAF CCC1=NCc2ccccc2[C@H](c2ccccc2)N1Cc1ccccc1 13600372 DTEPPTMQABWGJS-DEOSSOPVSA-N 340.470 5.600 0 1 EKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)cc(C)c1 13742183 ZLAYSIHBHVSXAW-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1F)N2 38305505 LVBHEOKQPKPEQE-NDXORKPFSA-N 339.454 5.758 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)O[C@@H](C)[C@@H]2C 45366313 RWJYFOPTQIOOKN-AUSJPIAWSA-N 333.475 5.103 0 1 EKAF c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 73279993 ILNNNUPOGRLTSY-UHFFFAOYSA-N 346.433 6.564 0 1 EKAF C/C=C\c1ccc2oc(-c3ccc(OC(C)=O)c(OC)c3)c(C)c2c1 238780377 SQHGDMJYNROBOW-WAYWQWQTSA-N 336.387 5.375 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cc1 586879637 HRORWGRYBSJBDB-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF FC(F)(F)c1ccccc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587098726 UCDAFEKLJQYJBY-UHFFFAOYSA-N 345.151 5.479 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H](C(F)F)C3 587103605 LMKAJDGNRLMWMO-LBPRGKRZSA-N 349.380 5.206 0 1 EKAF CC(C)(C)Sc1ccc(F)cc1-c1cc2c3c(cccc3n1)CC2 587214300 XFCOWFQPCPCYGL-UHFFFAOYSA-N 337.463 6.030 0 1 EKAF COc1cccc(-c2cc(C3=CCCC3)nc3c2oc2ccccc23)c1 587364527 CTVUZVDVDUXZEJ-UHFFFAOYSA-N 341.410 6.224 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCC(C(C)(C)C)CC1)CC2=O 587483542 QVTGIXFRVOTBHJ-UHFFFAOYSA-N 330.468 5.285 0 1 EKAF CC1(C)CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526172 RLSUJAGRTAZJQT-XMMPIXPASA-N 346.470 5.498 0 1 EKAF CCc1ccccc1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631892 ZGHDNLCAKQELFD-UHFFFAOYSA-N 330.790 5.084 0 1 EKAF Oc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(F)cc2)c(O)c1 587634855 URTWRZINUISNHT-UHFFFAOYSA-N 337.325 5.191 0 1 EKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2-n2ccnc2C(C)C)cc1C 587636358 YDASCEGEVIVUHT-UHFFFAOYSA-N 347.437 5.900 0 1 EKAF CCOC(=O)c1cc2c(nc1-c1ccccc1)-c1ccccc1CCC2 653716050 XWYKULABXJKCEM-UHFFFAOYSA-N 343.426 5.081 0 1 EKAF Cc1c(F)ccc2c1[C@H]([C@@H]1CC3=C(CCCC3(C)C)C[C@H]1C)NCC2 962096722 ZJPSKTHEOOGNSY-KEQGGVEFSA-N 341.514 5.874 0 1 EKAF Fc1cccc2c1[C@H](CCCCOc1ccccc1)N1CCC[C@H]1C2 963102833 GDSDUEPPSWEMGH-RXVVDRJESA-N 339.454 5.137 0 1 EKAF CC(C)Cc1sc2ccccc2c1C(=O)c1cccc2ccccc12 1772581822 UPTNLTUDMBVVFL-UHFFFAOYSA-N 344.479 6.484 0 1 EKAF Clc1cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cs1 1772638037 IZDIYCTYMCIEMV-UHFFFAOYSA-N 348.899 5.115 0 1 EKAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2cc3ccccc3o2)cs1 61926793 ICAQZAYNMRFHCF-KRWDZBQOSA-N 341.819 5.291 0 3 EKAF CC(C)c1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 61930343 NBDOHHMZYVHRSO-GOSISDBHSA-N 345.414 5.293 0 3 EKAF CCCC[C@H]1Cc2cc(OC)ccc2-c2nc3cc(OC)ccc3n21 12947898 ZEINRHGVJANZKP-HNNXBMFYSA-N 336.435 5.008 0 1 EKAF CC(C)c1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604803 JIGRGDVRYVTLCA-QFIPXVFZSA-N 340.463 5.398 0 1 EKAF OC1=C(c2ccccc2)S[C@@H](c2ccccc2)N1c1ccccc1 29406847 NQWDWWWVMBWHKL-NRFANRHFSA-N 331.440 5.823 0 1 EKAF CC(C)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086909 LZDBRAMBTQQSII-UHFFFAOYSA-N 341.794 5.082 0 1 EKAF CC1(C)CC(=O)c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C1 49808489 UXNKBIWQXNUXLB-UHFFFAOYSA-N 345.417 5.710 0 1 EKAF CC[C@H](NC(=O)[C@]1(CC)[C@H](C)C1(Cl)Cl)c1ccc(Cl)cc1 103295435 UHFUKYDZWOAKDT-XEGUGMAKSA-N 348.701 5.127 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cs2)o1 587016428 LLYDWTTWTORQJK-UHFFFAOYSA-N 333.775 5.047 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)C[C@H]4C)-c1ccccc1C2=O 587100313 GFJQTTIVBABLBA-TZMCWYRMSA-N 327.427 5.440 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4C=C[C@H]3CC4)nc3cccc1c23 587208392 VHOJITLDHAMKNR-DOXZYTNZSA-N 337.422 5.516 0 1 EKAF CC(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526001 XHFRYANKDXNBKE-OAQYLSRUSA-N 336.431 5.059 0 1 EKAF CC(C)c1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526915 XWPNSUMTOLQHPQ-DEOSSOPVSA-N 348.486 5.655 0 1 EKAF CC(C)(C)c1ccc(C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527430 VWVBUQPJABIFSB-LJQANCHMSA-N 348.486 5.439 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cc1 587628813 APFZKHONMXTWFY-UHFFFAOYSA-N 337.728 5.384 0 1 EKAF CCCCCOc1cc2nc([C@@H](C)CC)[nH]c2cc1Br 587957009 XXHBCWSCVWCXST-NSHDSACASA-N 339.277 5.408 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2Cc2ccccc2-3)cc1 653741183 LBAOKPQCNAHAPY-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF Cc1ccc(SC[C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963114509 VMDDMFKEYSMFOD-RXVVDRJESA-N 341.495 5.162 0 1 EKAF c1ccc(Nc2cc3oc(-c4ccco4)nc3c3ccccc23)cc1 1857631093 LZHRLELQUNLXCP-UHFFFAOYSA-N 326.355 5.985 0 1 EKAF Clc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 3832162 BFVHDBSZUNMHQP-UHFFFAOYSA-N 330.818 6.064 0 1 EKAF Cc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)cc2)n2ccnc2)cc1 5892418 ZGYHIWUURNRLMH-NRFANRHFSA-N 347.849 5.478 0 1 EKAF O=C(CC1CCCC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 13704465 KVSDNJIDNJOZRL-UHFFFAOYSA-N 345.446 5.058 0 1 EKAF O=C(O)CCCCCCc1sccc1CCCc1ccccc1 13726607 WSDYSQYMVNCBGT-UHFFFAOYSA-N 330.493 5.501 0 1 EKAF c1ccc(CCCCCCN2CCC3(CC2)OCc2ccccc23)cc1 13741535 HFNCIQLAPWEKMQ-UHFFFAOYSA-N 349.518 5.311 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCCC 13797912 RFFASACUSSXMKN-SNPVRQPZSA-N 346.599 7.949 0 1 EKAF CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](C)CCCCCC2 27517955 URKLLKTVBBRRMX-RDJZCZTQSA-N 340.463 5.497 0 1 EKAF Cc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 28767074 LDCQDPUSQNMDED-UHFFFAOYSA-N 343.426 5.385 0 1 EKAF Clc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1 71316704 AAHOZWNLWKBWNN-UHFFFAOYSA-N 347.809 5.165 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1 102860955 GXUZTDABZYSZGR-QZTJIDSGSA-N 330.475 5.570 0 1 EKAF c1ccc(CCCN(CCCc2ccccc2)Cc2ccccc2)cc1 138794381 XZHUFWYTKRZUQZ-UHFFFAOYSA-N 343.514 5.754 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4C(c4ccccc4)=C[C@H]3[C@@H]1CC[C@@H]2O 169323973 CJWPKKPZDDUSNU-HOTKZRPMSA-N 346.470 5.108 0 1 EKAF COc1ccc(CN[C@H]2C[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1 261146791 OBLOMJHBFQVWLX-PKTZIBPZSA-N 345.442 5.133 0 1 EKAF CC(C)=CCC[C@H](C)CCN1CCC(c2c[nH]c3ccccc23)CC1 473084575 RVZHKGAQOVVFDZ-IBGZPJMESA-N 338.539 6.120 0 1 EKAF Fc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1C(F)(F)F 586903687 LJBCDXRNGPUKQU-UHFFFAOYSA-N 348.299 5.252 0 1 EKAF CCc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1Br 586977320 LJBJGYPPWFCXCM-UHFFFAOYSA-N 333.204 5.002 0 1 EKAF Cc1nc(C)c(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)s1 587011240 FDYOLDZEJCQKRN-UHFFFAOYSA-N 335.432 5.019 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cc(Cl)ncc3[nH]2)cc1F 587145118 IFBHZDYQJDQWFH-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359147 ZPWBRANFSJCFLK-GHTZIAJQSA-N 342.410 5.085 0 1 EKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629795 HXPQTVVBGXSOIC-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638880 SDHSZYFGQCJAFY-UHFFFAOYSA-N 327.811 5.234 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587951668 IGMVIAPDIVOFRC-NRUUGDAUSA-N 342.270 5.311 0 1 EKAF COc1cccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c12 587958961 IUYMTJMREMQTIE-UHFFFAOYSA-N 328.415 5.138 0 1 EKAF Cc1ccc(-c2oc3cc(O)ccc3c2-c2ccc(O)cc2O)cc1 1772576797 SYKQNWONJDHWPR-UHFFFAOYSA-N 332.355 5.192 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CC=C(C)CCC=C1C)CC[C@@]2(O)C(C)C 2356550773 LCCFAMBWEWEJKL-GXRSIYKFSA-N 348.527 5.188 0 1 EKAF CC[C@@H](CC1CCCCC1)C(=O)N(Cc1ccccc1)c1ccccc1 61959406 PNMAMBVKSSVIEH-QFIPXVFZSA-N 349.518 6.216 0 3 EKAF C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccccc1 13218771 DSPVQHIMENGVIZ-UHFFFAOYSA-N 335.410 5.483 0 1 EKAF Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(F)cc1 66101666 UQQCAUXUXPIRTQ-UHFFFAOYSA-N 329.378 5.049 0 1 EKAF Fc1cc(F)cc(-c2cc(NCc3cccc4ccccc34)ncn2)c1 82162186 DJAVMEGRZPYVFE-UHFFFAOYSA-N 347.368 5.187 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)cc2F)[C@H](c2ccc(O)cc2)C1 299828423 JJBMRFZJOAXKFF-KRWDZBQOSA-N 330.378 5.024 0 1 EKAF CCCC/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991563 OSMFZWSOQGYNMF-VMPITWQZSA-N 329.399 5.355 0 1 EKAF Cc1ccc2c(ccc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc32)n1 587034152 PPIAVTFIDGJKDN-NSHDSACASA-N 333.460 5.273 0 1 EKAF Cc1cnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063364 UFGYJRSVXZPOAH-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CC(C)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523786 PPMPVGMEVAXPDU-OAQYLSRUSA-N 336.431 5.059 0 1 EKAF C[C@]1(c2cccc(C3CC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524098 NFNNQJGITDXYMT-HSZRJFAPSA-N 332.443 5.323 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587623869 ARDRGKLSSPMLTC-UHFFFAOYSA-N 333.765 5.607 0 1 EKAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356443128 ATEJLEVEJWUXMA-ZUSTXJBKSA-N 344.539 5.007 0 1 EKAF Cc1cc(O)c2c(c1)O[C@H]1[C@H]3[C@H]2OC[C@]32CCCC(C)(C)[C@H]2C[C@H]1C 2356506066 ADRYYXMGPFFUGO-XDFVJKNYSA-N 342.479 5.002 0 1 EKAF CCCCCCc1cc(C(=O)Nc2ccc(Cl)cc2)nc(=S)[nH]1 1617716 XNZMEILOVFPBON-UHFFFAOYSA-N 349.887 5.168 0 1 EKAF CCCCC(C)(C)[C@@](C)(O)c1cccc(OCc2ccccc2)c1 25987535 ZZATYWNLVZYVMP-QFIPXVFZSA-N 326.480 5.690 0 1 EKAF CCOc1ccc(-c2nc(CN[C@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72182845 QRURZMVBMFXWEQ-WBVHZDCISA-N 342.483 5.045 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC/C2=C\c1ccccn1 84713366 DQFZOKIIDUCDMF-GLDWVBJFSA-N 345.530 6.594 0 1 EKAF CCO[C@H]1C[C@H]2C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)C=C1C(C)C 95588590 SEYOTWWUZJJIRX-JIWOIOHBSA-N 346.511 5.221 0 1 EKAF O=C(O)CCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930495 LNZVFVDXQMOFRR-TUBSGNOOSA-N 332.528 5.900 0 1 EKAF CCOC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238757811 LVOCSKOFMXWOOV-LFAVWFGJSA-N 348.527 5.137 0 1 EKAF CC1(C)[C@@H](c2ccccc2)[C@@]12CC[C@@]1(C2=O)[C@@H](c2ccccc2)C1(C)C 254145206 KXLWBFPVIVAVFT-YQXZIBMNSA-N 344.498 5.969 0 1 EKAF C(=C/c1ccc2c(ccn2CCCn2ccnc2)c1)\c1ccccc1 299837348 QLAVBERHXIFWTE-BQYQJAHWSA-N 327.431 5.099 0 1 EKAF CCCCC[C@@H]1CC(=O)c2cc(Br)cc(Cl)c2O1 299838335 QDWCLEXIPPXFNR-SNVBAGLBSA-N 331.637 5.017 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586884489 INORUQHCEHMALC-ACJLOTCBSA-N 329.230 5.241 0 1 EKAF COc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Cl 587034720 YRBGHRHQJQIHNG-VIFPVBQESA-N 332.856 5.078 0 1 EKAF Cc1ccnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 587062770 ADLJMNJSYZSOFU-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF Nc1c(Cl)cc(-c2cc3c4c(cccc4n2)CC3)cc1C(F)(F)F 587210286 NAKOGYWFCKOWKN-UHFFFAOYSA-N 348.755 5.255 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(OC(C)=O)c2c1 587640300 HASILLDXOKCTCF-GFCCVEGCSA-N 341.838 5.927 0 1 EKAF c1ccc(-c2cc(-c3ccccc3)c3c(-c4ccccc4)[nH]nc3n2)cc1 1772577987 JBDFLODGAIHOBF-UHFFFAOYSA-N 347.421 5.959 0 1 EKAF Cc1[nH]c2ccc(-c3ccccc3)cc2c1C[C@@H](N)c1ccccc1 1857537923 RHGGUKIEAINQJX-JOCHJYFZSA-N 326.443 5.386 0 1 EKAF COc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/C2=CCCCC2)cc1 1857568837 PRZVTXWTYJEYIG-JQPJPVIESA-N 335.491 5.596 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@H]2[C@](C)(O)C1 2356392674 LQNQQEXNXLBURL-CSEOROSGSA-N 348.527 5.188 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C)(CC=C(C)C1)CC[C@@]2(O)C(C)C 2356441532 WHLNVYDYKOZJJL-GXRSIYKFSA-N 348.527 5.188 0 1 EKAF COc1ccc(O)c2c1C[C@]1(C)[C@H](C)CC[C@@H]3C(C)(C)CCC[C@]31O2 14736 AHDRBWCUVQGBTR-SRBBEKPSSA-N 344.495 5.337 0 1 EKAF biogenic Fc1cccc(F)c1[C@@H]1SCc2nc3cc4ccccc4cc3n21 5580407 DTBHBQKQXXBWLM-IBGZPJMESA-N 338.382 5.261 0 1 EKAF COc1cc2c(cc1O)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)C1=C2 14683852 BUIFJDSTUGQXPL-NYVOZVTQSA-N 342.479 5.562 0 1 EKAF CC(C)=CC[C@H]1CC(C)=C2OC(C)(C)[C@@H]3CC[C@@]1(C)[C@]23C(=O)C(C)C 140018244 DBACOFREEYSTTM-ZRGHVXQMSA-N 344.539 6.073 0 1 EKAF Cc1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144726201 GRZAWNKZRSLBFN-HXUWFJFHSA-N 340.344 5.441 0 1 EKAF CCC(=O)[C@H]1[C@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@H]1N2C 253635713 AOGDHAKOMBZIIJ-SRUXOGRHSA-N 339.523 5.280 0 1 EKAF Cc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1C 587017564 NFRJVPOZKOVREB-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF C[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)c1ccccc1C(F)(F)F 587097435 HMHUJKKLJWZLIN-GFCCVEGCSA-N 346.396 6.031 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccsc1C4)-c1ccccc1C2=O 587102079 PFTHOVJZQXSVQS-UHFFFAOYSA-N 339.419 5.387 0 1 EKAF Nc1cc(-c2ccccc2)sc1-c1cc2c3c(cccc3n1)CC2 587216597 GRLXVAXYTDBWTB-UHFFFAOYSA-N 328.440 5.311 0 1 EKAF CCOc1ccc(OCC)c(C(=O)c2coc3ccc(Cl)cc23)c1 587276445 PLCJKXHDQLNJNL-UHFFFAOYSA-N 344.794 5.115 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3OC)c(NC(C)C)c2c1 587643836 XQRKTLYOALEYKR-OAHLLOKOSA-N 336.479 6.177 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 587780191 NHAFNGGNZCEBST-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF COc1cccc([C@H](C)Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587931988 QPHQUHSFSMKJPP-SNVBAGLBSA-N 335.234 5.225 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)cc1 587936783 ZMAVEZAAWZRCGL-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF CCC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857760497 FIDJHCPHMOGTHD-INIZCTEOSA-N 328.868 5.099 0 1 EKAF CCCCC=CCCCCCCCCCCCC=Cc1ccco1 2356511953 RKZXQFSZKDXIRI-UHFFFAOYSA-N 330.556 8.330 0 1 EKAF CCCCOc1ccc([C@@H]2c3ccccc3[C@@H]3[C@H]2CCCN3C)cc1 27442880 LBWRHJNPYLEEKR-YTFSRNRJSA-N 335.491 5.394 0 1 EKAF Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c(C(C)C)c1 27561353 DWVVVLGIXMYQKI-UHFFFAOYSA-N 347.241 6.199 0 1 EKAF CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(CCc1ccoc1)CC(=O)O 59779036 LBRHEHIYYRNPKH-GKBFQHABSA-N 330.468 5.466 0 1 EKAF C[C@H]1[C@H](NCc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72102733 BANXIWRAPAPGFE-KBEZCGTCSA-N 344.886 5.155 0 1 EKAF Fc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1Cl 95578383 ZHBXJSYQMCPHDR-UHFFFAOYSA-N 349.796 5.833 0 1 EKAF CCCCC[C@@H](C)Nc1cc(-c2ccc3ncsc3c2)nc(C)n1 142053760 DLZXDMUCTXQONK-CYBMUJFWSA-N 340.496 5.442 0 1 EKAF CC(=O)c1c(C)cc2cccc(OCc3cccc(Cl)c3)c2c1O 169343705 VTDSAQPXSGERTE-UHFFFAOYSA-N 340.806 5.289 0 1 EKAF C[C@H]1c2ccccc2-c2[nH]c3ccccc3c(=Nc3ccc(O)cc3)c21 473151228 OKKLYPGPVHUJNC-AWEZNQCLSA-N 338.410 5.238 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586897151 YTFWVFIBWNQRJS-UHFFFAOYSA-N 340.304 5.020 0 1 EKAF Cc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2n1 587050818 TZAYRZFOVOCLNG-UHFFFAOYSA-N 347.805 5.066 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Cl)c(C)c2[nH]1 587061128 AYICQNZTJKHBGC-AWEZNQCLSA-N 335.234 5.708 0 1 EKAF Clc1ccc(-c2cnccc2-c2nc3c(Cl)cccc3[nH]2)cc1 587074178 RTZYGXJDJJDYNM-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF Cc1ccc(NC2(c3nc4ccc5c(c4[nH]3)CCCC5)CCCC2)cc1 587237036 LFVHQYDNCQDLFY-UHFFFAOYSA-N 345.490 5.632 0 1 EKAF CCCCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587857863 BAFDPMUOXPSDBL-UHFFFAOYSA-N 341.238 5.086 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)CCCC3 587952211 NAFGUCSYDACRCX-ALKREAHSSA-N 326.484 5.488 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2ccc(Br)c(F)c2[nH]1 587955958 XDICCYLGDZDJAS-UHFFFAOYSA-N 347.231 5.099 0 1 EKAF Cc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587956982 XLOCCVPQTBINFY-SFHVURJKSA-N 346.861 5.899 0 1 EKAF CCc1nc(Nc2cc(C)ccc2C)c2c3c(sc2n1)CCCC3 1772573071 GRCUHYWVNQYFBE-UHFFFAOYSA-N 337.492 5.493 0 1 EKAF CN(C/C=C/c1cccc2ccccc12)Cc1ccc2c(c1)OCCC2 1772577145 VBJYJCVGJFXTIM-BJMVGYQFSA-N 343.470 5.310 0 1 EKAF CCCCC=CCCCCCCC[C@@H]1CC(=O)[C@H]2CCCC[C@H]2N1C 2356867912 WXKNMMWRWQMSDF-BHIFYINESA-N 347.587 6.296 0 1 EKAF Clc1ccc(C2=C3CCCCn4c(-c5ccccc5)c[n+](c43)C2)cc1 5444457 NAPRTHOMLXDZPW-UHFFFAOYSA-N 347.869 5.204 0 3 EKAF aggregator CCCCCC[C@@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 5973118 DNTNRKCCPBOWEL-GOSISDBHSA-N 340.895 5.596 0 1 EKAF CCC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470787 DWGAKCJFXFNMID-SFHVURJKSA-N 349.474 6.203 0 1 EKAF Cc1cc(C)c2sc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1 13809535 OCSHUAVFUCIKQR-UHFFFAOYSA-N 347.439 5.878 0 1 EKAF COc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O 14822511 YAAQLHDVTLNIEV-VZRGJMDUSA-N 344.495 6.068 0 1 EKAF CCCCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC 26400519 USEVEOOSQPJQBZ-UHFFFAOYSA-N 346.858 5.183 0 1 EKAF F[C@H]1CCc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572162 RPYIFLNKXOBNLG-JTQLQIEISA-N 339.119 5.155 0 1 EKAF CCn1c2ccccc2c2c3c(ccc21)CN(c1ccccc1)CO3 49803733 LUTVFUSQTISVND-UHFFFAOYSA-N 328.415 5.171 0 1 EKAF NC1(c2ccc(-c3c(-c4ccccc4)ccc4ccnn34)cc2)CCC1 84705470 GMINCAUYRPRHBG-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF COc1cc(NCc2csc3ccccc23)ccc1-c1cnco1 96935299 FISKFHBEHPHMAN-UHFFFAOYSA-N 336.416 5.177 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C/C=C(\C)CC/C=C/1C)CC[C@@]2(O)C(C)C 140619882 LCCFAMBWEWEJKL-TUBDZVQBSA-N 348.527 5.188 0 1 EKAF COc1ccc2c(c1)C(c1sc3cccc(C)c3c1Cl)=NCC2 144742423 HWNZJUIPAMXRMW-UHFFFAOYSA-N 341.863 5.265 0 1 EKAF CCN1CCC[C@@H](COc2ccccc2CCC2CCCCC2)C1 169329803 XWYXRWUCVPLKTO-HXUWFJFHSA-N 329.528 5.310 0 1 EKAF CCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077074 QINNHZCNJQJGQF-UHFFFAOYSA-N 349.821 5.213 0 1 EKAF CCC[C@H](O)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587102583 XYSXPDPOTQZHLD-SFHVURJKSA-N 345.442 5.151 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587103935 OQSIVYIVMWMYBH-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4[nH]3)nc3cccc1c23 587105475 ACQULWVVWYUASZ-UHFFFAOYSA-N 346.389 5.595 0 1 EKAF FC(F)(F)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107957 XWKRCXYQISKELG-UHFFFAOYSA-N 344.258 5.191 0 1 EKAF COc1cccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145138 IWGRNDLHALGGOE-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(C)c3[nH]2)c1 587240564 FTXHTZZWHRABTQ-UHFFFAOYSA-N 342.446 5.481 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)s1 587629406 OIRAFGSCSMWRPY-UHFFFAOYSA-N 343.757 5.445 0 1 EKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2cccc(F)c2)cc1 587634549 JNTRJXIQDVSLDX-UHFFFAOYSA-N 335.353 5.789 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4cccs4)cs3)n1)O2 587876856 VBOMQJKIPPEQJW-UHFFFAOYSA-N 341.392 4.969 0 1 EKAF CCCCCCC(=O)OCc1ccc2c(c1)C=CC(=CCl)CO2 2356765268 GVNAAULMAIEHDP-UHFFFAOYSA-N 334.843 5.229 0 1 EKAF CCC=CCC=CCC=CCC=CC[C@@H](O)C=CC=CCCC(=O)O 2356876021 ZHBVYDMSPDDAKE-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF Cc1cc(Cl)ccc1[C@H](O)c1nc(-c2ccc3ccccc3c2)c[nH]1 61925984 SXQBWCAOWWSTOE-FQEVSTJZSA-N 348.833 5.273 0 3 EKAF O[C@@H](c1ccc(F)cc1)c1nc(-c2csc3ccccc23)cs1 61928895 PLMJEHCCIKQTGU-KRWDZBQOSA-N 341.432 5.246 0 3 EKAF CC(=O)Nc1ccc([C@@H](CCCc2ccccc2)C2=CCCCC2)cc1 198854395 CDKOOSIJIMMRRD-DEOSSOPVSA-N 347.502 6.252 0 3 EKAF O=C(O)c1cc2ccccc2n1Cc1ccc(-c2ccccc2)cc1 13588857 RXLDOBATCSHHPB-UHFFFAOYSA-N 327.383 5.055 0 1 EKAF Cc1c(SCc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O 13589022 SSENMOLUUDCWSC-UHFFFAOYSA-N 338.472 5.691 0 1 EKAF CN(C)[C@@H]1C=C[C@]2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 13649955 FZXSXMYFIZKXPT-KNQAVFIVSA-N 335.878 5.390 0 1 EKAF Brc1cc(Br)cc(/C=C/c2ccccc2)c1 44307806 QJCUQPWBTMQSOI-VOTSOKGWSA-N 338.042 5.382 0 1 EKAF C[C@H](c1cccnc1Cl)c1c(CCN(C)C)sc2ccccc12 49116189 FHUODQKGUFFZJE-CYBMUJFWSA-N 344.911 5.206 0 1 EKAF COC(=O)/C(C)=C(O)/C=C/C=C/C=C/C=C/C(C)=C/c1ccccc1 200121089 SLSCKFUAPIQOND-BMJACRNQSA-N 336.431 5.320 0 1 EKAF in-vitro Cc1nc(N[C@@H](C)c2ccccc2)cc(-c2ccc3occ(C)c3c2)n1 205824163 HEGKJWFPQXQZPR-HNNXBMFYSA-N 343.430 5.680 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4CC[C@H]3C4)nc3ccc(O)c1c23 586990355 BSEWBWGEUWISEI-XEZPLFJOSA-N 341.410 5.055 0 1 EKAF Cc1cc(F)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587049413 IMWFYNARVYYBER-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF Cc1ccc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587146195 CUJQOOCNCPMFJV-QPJJXVBHSA-N 349.178 5.082 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC(C)(C)C)cc1)O2 587411226 YSJYGKYGJGHCDB-SFHVURJKSA-N 341.476 5.174 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccccc1Cl)CC2=O 587462208 NPLKWLMGFVMNTE-HXUWFJFHSA-N 344.838 5.269 0 1 EKAF O=C1C[C@@]2(CCc3sc(Cl)cc32)Oc2c1ccc1c2CCCC1 587536528 VUMSTUFZSLLDAN-LJQANCHMSA-N 344.863 5.087 0 1 EKAF CC(F)(F)c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962665316 KBBMCEGQGDQAJL-JOCHJYFZSA-N 349.424 5.700 0 1 EKAF COC1=CC(=O)O[C@@H](CCC=CC=C[C@@H](C)C=CC(C)=CCl)C1 2356790155 FFQPDMLQLMDNCB-WBVHZDCISA-N 336.859 5.060 0 1 EKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(OC)cc3C)ccnc21 13479609 RUTFTFMEKZOLLI-HNNXBMFYSA-N 337.467 5.339 0 1 EKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3C)nccc21 13479647 KTEIPADJVSNNQL-AWEZNQCLSA-N 341.886 5.984 0 1 EKAF CC1=C(Cc2cccc(CO)c2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 26166997 IGMDJXNGTXPFSD-DENIHFKCSA-N 328.496 5.370 0 1 EKAF N=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 45303191 RUIYKWOVZGEHDH-UHFFFAOYSA-N 343.257 5.304 0 1 EKAF CSc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 49111859 XFPPGPIVOGTDAC-JOCHJYFZSA-N 344.483 5.764 0 1 EKAF COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)cc1 71332399 FUVQGZVAVOSIKM-HSZRJFAPSA-N 342.442 5.402 0 1 EKAF C[C@@](Cc1ccccc1)(C1=Cc2ccccc2C1)[C@@H](O)c1ccccc1 71416561 PUWJPZHWARIESC-LOSJGSFVSA-N 340.466 5.609 0 1 EKAF CC1=C2C[C@]3(CN4CC4)CC[C@@H](C4CCCCC4)[C@@]2(CC1)C3(C)C 85548331 KELPXURMLUGWLS-AJSBUHFISA-N 327.556 5.805 0 1 EKAF biogenic,in-vitro Cc1cc(Cc2ccc(C3CC3)cc2C(=O)O)cnc1-c1ccccc1 96173362 PBIDPQIXMSNZSD-UHFFFAOYSA-N 343.426 5.223 0 1 EKAF Cc1cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2cc1Cl 96937337 CJGATPUOFUQMLI-UHFFFAOYSA-N 346.813 6.089 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccno1 118924196 RBGXPUBOKUORNP-GIPCDWCDSA-N 341.495 5.082 0 1 EKAF COCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 169340429 MLCVFXAHOWBLIZ-UHFFFAOYSA-N 336.472 5.009 0 1 EKAF O=C1C[C@@H](c2c[nH]c3ccc(Cl)cc23)Sc2c(F)cccc21 299830456 IMMHQMDYDQPWNY-INIZCTEOSA-N 331.799 5.380 0 1 EKAF Fc1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1C(F)(F)F 587044056 YDOGSMOVDTWVCW-AWEZNQCLSA-N 338.329 5.110 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cccc(Cl)c2[nH]1 587049459 LSWWINWCOCQBQU-BDAKNGLRSA-N 337.637 5.794 0 1 EKAF CS[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101959 KEMYBCAPYKMPJF-QGZVFWFLSA-N 345.467 5.495 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587207317 RJTLTWVTDNUJET-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CCC(CC)c1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364537 DBIMKUWIJRNXLD-UHFFFAOYSA-N 345.442 6.560 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=CCC3)c1 587365305 GMJMUYGDBWWZBF-UHFFFAOYSA-N 327.383 5.616 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cccc1Cl)CC2=O 587462014 VQWWUKHIIMYUSL-QGZVFWFLSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1C)CC2=O 587462632 PVKSSZADSKZNBJ-GOSISDBHSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1csc3ccccc13)CC2=O 587498063 YKDSYBXSGBBTTK-GOSISDBHSA-N 338.428 5.266 0 1 EKAF CCc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527376 UOPQUYQSHMULMR-LJQANCHMSA-N 334.459 5.094 0 1 EKAF CC(C)(C)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587949794 CCUKINOAVFVKRL-UHFFFAOYSA-N 338.495 5.346 0 1 EKAF Cc1cc(C)c2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc2c1 587958643 DCWRMIIXNZSPPZ-UHFFFAOYSA-N 326.443 5.746 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)ccc(C)c2Cl)N1 962949393 LZCVWAZKZIDRHI-ODXCJYRJSA-N 342.845 5.283 0 1 EKAF COc1ccc([C@H](C)CCN2CCC(Cc3ccccc3)CC2)cc1 1772587293 IQQJEGSNCBIROM-LJQANCHMSA-N 337.507 5.144 0 1 EKAF CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772611916 BTQUHADOYYYHBU-UHFFFAOYSA-N 328.626 5.314 0 1 EKAF COCCCCCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1 2356635159 UDFAQHMVTQZZRW-PWRODBHTSA-N 341.580 5.206 0 1 EKAF CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1 95552745 MQJFGYCFWQIDTC-QGZVFWFLSA-N 342.870 5.073 0 3 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]21 13302349 XWVGMPJQSWKTJV-FDFHNCONSA-N 344.495 5.089 0 1 EKAF biogenic CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C)c1=O 13470389 QYWOKSWQOFWEDE-UHFFFAOYSA-N 346.474 5.466 0 1 EKAF Cc1cc(C)c(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c(C)c1 13604832 YZSMSWWZOOABFQ-JOCHJYFZSA-N 340.463 5.200 0 1 EKAF CC/C=C/[C@@H](c1ccccc1)[C@H](C)[C@@H](O)CC(=O)SC(C)(C)C 13828809 HOYRUMGOZHNEIA-HEFZLZEBSA-N 334.525 5.182 0 1 EKAF CON(C)CCCCCCCCCCCCC[C@H](C)c1cccnc1 14885506 JIBZJUAZQCMROO-NRFANRHFSA-N 348.575 6.360 0 1 EKAF biogenic CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCF)cc1OC2(C)C 27751094 YMYYGMHEAJZHFP-UKZKYTFVSA-N 344.470 5.852 0 1 EKAF Cc1ccc(Oc2ccc(C(F)(F)F)cc2CC(=O)O)c(Cl)c1 28766972 AIKODNVNFCNSKF-UHFFFAOYSA-N 344.716 5.087 0 1 EKAF CCOc1ccc2nc(C)cc(Nc3ccc(Cl)cc3Cl)c2c1 40424987 HYLSMTQFXZQVOE-UHFFFAOYSA-N 347.245 5.992 0 1 EKAF C[C@H](Cc1ccccc1)NCC=C1c2ccccc2-c2ccccc21 45358570 VYLKKFYXAINZOE-GOSISDBHSA-N 325.455 5.320 0 1 EKAF CC1(C)C[C@@](CCNc2ccccc2F)(c2ccccc2)CCO1 72109119 NHBCEQGGHZLLPP-NRFANRHFSA-N 327.443 5.155 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(Br)c1 103174456 SFVAEPHIYBJLPU-UHOFOFEASA-N 339.273 5.067 0 1 EKAF c1ccc(COc2ccc([C@@H]3CC(c4ccccc4)=NO3)cc2)cc1 103293299 ZPQPLBPZCXTYPB-QFIPXVFZSA-N 329.399 5.131 0 1 EKAF O=N[C@@H](CCCCCCC(=O)O)c1ccc(-c2ccccc2)cc1 169717391 PYCLHIWBJDMWTA-IBGZPJMESA-N 325.408 5.586 0 1 EKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(F)cc3[nH]2)c1 586877998 AALMCDLCCHEWHT-UHFFFAOYSA-N 344.389 5.217 0 1 EKAF Clc1ccc(-c2nc(-c3nc4ccnc(Cl)c4[nH]3)cs2)cc1 587016299 UUYHUJUIJBCUSH-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587153122 WCTAXKPTRVGSFS-ZJUUUORDSA-N 338.279 5.131 0 1 EKAF O=C1c2ccccc2-c2c(C3CC3)c(-c3ccccc3)nc3cccc1c23 587206489 NFTJKZQCKJHNCS-UHFFFAOYSA-N 347.417 5.991 0 1 EKAF C[C@H]1CC(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C[C@H](C)C1 587208232 STATWWXGVSNCJO-HUUCEWRRSA-N 341.454 5.986 0 1 EKAF CC(C)(Oc1ccc(Cl)cc1)C(=O)c1coc2ccc(Cl)cc12 587277779 BNMJMTJFDGWRKS-UHFFFAOYSA-N 349.213 5.780 0 1 EKAF COc1cccc(-c2cc(CC3CCC3)nc3c2oc2ccccc23)c1 587365607 MMZOYIHPNGHCJP-UHFFFAOYSA-N 343.426 5.999 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccc(C)cc3c1C)CC2=O 587487933 ZFWRZCYXLBJXBD-HXUWFJFHSA-N 349.430 5.149 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC(C)C)s1)CC2=O 587493406 GWHWOHMYPRDEKR-GOSISDBHSA-N 344.476 5.311 0 1 EKAF CC/C=C/CCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527457 WHYMIIXLGGKMDC-OAJJDEHYSA-N 326.480 5.816 0 1 EKAF CCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598529 BLHQZLVGZMMCLX-RXVVDRJESA-N 340.419 5.083 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cc1 587935566 NUXRZZVNKKXAQO-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF C[C@]1(CCc2ccsc2)NCCc2c(Cl)cc(Cl)cc21 963112948 UCMWQRDOYMMKNN-MRXNPFEDSA-N 326.292 5.049 0 1 EKAF COc1cc(C)c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1 2356430379 TWGZMJGJPCIAGR-UHFFFAOYSA-N 342.523 6.671 0 1 EKAF CCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@H](C)[C@H]1C 2356436347 JBDHOPIBEWESIO-YSTOQKLRSA-N 340.548 5.900 0 1 EKAF CC(=O)O[C@H]1C=C(C)CCC=C(C)CCC(C(C)C)=CC=C(C)C1 2356444579 ZXMGJANZKKPGCH-QFIPXVFZSA-N 330.512 6.304 0 1 EKAF CCCO[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26994030 PJEFWRFWSGVMAK-OAQYLSRUSA-N 335.447 5.779 0 1 EKAF CCCCc1ccc(Cl)c(Oc2ccc(C)cc2CC(=O)O)c1 28766599 VYWDPKBWGBUBES-UHFFFAOYSA-N 332.827 5.410 0 1 EKAF Cc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 64548842 OMOUNMGCKOCEOH-QHCPKHFHSA-N 349.474 5.218 0 1 EKAF COc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccccc2)cc1 72112760 NRYQYCBYVGGBHZ-JOCHJYFZSA-N 348.467 5.802 0 1 EKAF Cc1ccc(C2=C[C@H](c3ccccc3)[C@H]3C(=O)CC(C)(C)CC3=N2)cc1 169723777 QNUPIBHPMLFNJK-AUSIDOKSSA-N 343.470 5.580 0 1 EKAF Clc1ccc2c(c1Cl)OCCc1c-2nc2cccc3c2c1CC3 587209575 RUAKARWBSVGIEU-UHFFFAOYSA-N 342.225 5.242 0 1 EKAF CC[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500429 BTWWFGNOZYAFCP-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)cc(-c3ccc(Cl)cc3)n2)c1 653739029 MQDNKAWULMXAHX-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCC[C@H](CC)[C@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962095830 XPNZBMORUMEYPB-PGRDOPGGSA-N 340.486 5.135 0 1 EKAF CCCCCC=CC=C[C@@H](O)CC=CCC=CCCCC(=O)OC 2356455472 UXMIJODNYUZSNX-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCc2ccccc2)[C@H]1O 13462012 KBXLOAWJUIAVPA-JBACZVJFSA-N 346.511 5.053 0 1 EKAF biogenic Fc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 34503726 UPWBKBBTHMGKEI-UHFFFAOYSA-N 340.401 5.969 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccncc3)C2)c1 40972807 YYGJKNMDBGPVCJ-HXUWFJFHSA-N 332.428 5.145 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1c(CC=C(C)C)ccc(O)c1-3 45391938 COGVBWFCKLEJAD-OAQYLSRUSA-N 347.502 5.433 0 1 EKAF in-vitro c1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2OC3)cc1 72175982 HDICVJMWGKXXPO-UHFFFAOYSA-N 341.435 6.037 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCC(=O)O 78938996 SYVLWSBAKCQOBP-DOFZRALJSA-N 347.543 5.806 0 1 EKAF in-vitro C[C@H](c1ccccc1)n1ccnc1C(c1ccccc1)c1ccccc1 115933216 CMXRBXKEUYKITA-LJQANCHMSA-N 338.454 5.673 0 1 EKAF Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1 169322601 LQZYUCMXNLZQAF-UHFFFAOYSA-N 337.810 5.010 0 1 EKAF CC/C=C\C/C=C/C/C=C\C/C=C\CCCCCCCCC(=O)OC 213298429 XKZIJJIPQXQYBG-PJZKSONQSA-N 346.555 7.085 0 1 EKAF Oc1c(-c2cccnc2)cc2ccccc2c1Sc1ccccc1 299836448 NEHZHYVRZSEEBB-UHFFFAOYSA-N 329.424 5.759 0 1 EKAF Oc1ccccc1-c1cc(-c2ccncc2)c2c(n1)-c1ccccc1C2 473248354 NCJJZTZCKZJFJH-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC[C@@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989975 HEMSZEYTTKWONH-QHCPKHFHSA-N 343.426 5.057 0 1 EKAF COc1cccc(-c2ccc(-c3nc4c(C)nccc4[nH]3)c(Cl)c2)c1 587052402 RTOBJQDSXKVQLO-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)c1 587233846 BBFIRXZBCGBZQA-UHFFFAOYSA-N 331.394 5.386 0 1 EKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc12 587250938 TUIHXWAWBWVVLL-UHFFFAOYSA-N 341.458 5.777 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@@H](C)CC)CC2=O 587485293 UMYHNDDQEZDQFR-XXHMAFKTSA-N 330.468 5.285 0 1 EKAF O=C1C[C@H](c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508401 OTSHXUXNVFCUKT-GOSISDBHSA-N 346.348 5.291 0 1 EKAF Cc1cnn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587627619 FURGOYWWPYEWBP-UHFFFAOYSA-N 347.262 5.008 0 1 EKAF CCCC/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815545 NNRLIRDBADIKRG-XWNPQKLHSA-N 340.280 5.084 0 1 EKAF COc1cccc(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587932420 XOVUVPVJGFWFNK-UHFFFAOYSA-N 344.414 5.149 0 1 EKAF Cc1cc(Br)c2[nH]c(CC3CCC(C)(C)CC3)nc2c1 587963608 PBJZPCRRWXCPCF-UHFFFAOYSA-N 335.289 5.393 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587967593 LMSZEJHKJLYKBI-CLFYSBASSA-N 344.768 5.126 0 1 EKAF CCC=CCC=CCC=CCC=CC=C[C@@H](O)CCCCCC(=O)O 2356340512 QVCGPPHEKAYGRO-OAQYLSRUSA-N 346.511 5.744 0 1 EKAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=CC[C@@H]2C 2356381983 ITGQMLUIQUJILK-ZDUSSCGKSA-N 340.419 5.280 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@@]2(C)C1 13301850 VCHOJBNJCIADHY-XWSHUIEDSA-N 330.512 5.683 0 1 EKAF biogenic CC(C)[C@@H]1CC[C@H](C)C(=CC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 13404438 CDLMGTMYJCSWTE-USTZCAOPSA-N 330.512 5.382 0 1 EKAF biogenic COc1cc(Cl)c(OC)c(Oc2c(Cl)cc(O)cc2Cl)c1 14769888 KCXZBBVPGFOARE-UHFFFAOYSA-N 349.597 5.162 0 1 EKAF biogenic Cc1ccc2oc(-c3cc(NC(=O)OC(C)C)ccc3Cl)nc2c1 29237709 SCBYZBGRJLAMAJ-UHFFFAOYSA-N 344.798 5.414 0 1 EKAF Clc1ccccc1[C@@H](Nc1ccccn1)c1c[nH]c2ccccc12 95560966 WGIXXRLFTXGPFI-HXUWFJFHSA-N 333.822 5.418 0 1 EKAF CC(C)(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 103258675 PCJDDIHNGFLMPX-IBGZPJMESA-N 339.870 5.208 0 1 EKAF C[C@@H]1C[C@H](C(F)(F)F)c2c([nH]c3cc(Cl)c(Cl)cc23)[C@H]1O 261099811 GBUNMTKFVRTLSV-LSAWUZJQSA-N 338.156 5.194 0 1 EKAF CC1(C)CC(=O)c2c(C3CC3)nn(-c3ccc(Cl)cc3Cl)c2C1 299830385 MXTSGGCTZUXABK-UHFFFAOYSA-N 349.261 5.212 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)cc1 586879796 JUNGNRVGIFLPHK-UHFFFAOYSA-N 340.426 5.716 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 586880961 IWQKRFAYWALNFG-UHFFFAOYSA-N 333.262 6.224 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586884496 INORUQHCEHMALC-FZKQIMNGSA-N 329.230 5.241 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587017718 PMAYKVDEXLSHDP-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021823 PKSLUOVPCSDHRD-UHFFFAOYSA-N 347.487 5.575 0 1 EKAF Cc1cc(C)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083457 VIEDDJYUHGZTKM-UHFFFAOYSA-N 342.229 5.702 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/C3CCCCC3)nc3cccc1c23 587206545 NNFHGPBVGOXXNB-BUHFOSPRSA-N 339.438 6.040 0 1 EKAF Cc1cccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587405785 NHPJVQWIWAOKDE-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(C)(C)C)CC2=O 587479299 CYGBCADRIZQSQO-QFIPXVFZSA-N 338.447 5.252 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccncc2)cc1 587632214 GKNSLWPPDMZNTF-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(F)ccc12 587633254 WWJXLVHJQDQOKZ-UHFFFAOYSA-N 349.792 5.858 0 1 EKAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2ccc([C@H](C)CC)cc12 587639914 AQBATNHYHRWFLG-CYBMUJFWSA-N 339.410 5.664 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(F)(F)F)c2c1 587642134 PAKQROKBVSXUJV-NSHDSACASA-N 335.344 6.506 0 1 EKAF COc1ccc(C2(c3nc4ccc(C)cc4[nH]3)CC3(CCC3)C2)cc1 587934987 KEACCPDLBZKFKL-UHFFFAOYSA-N 332.447 5.130 0 1 EKAF CC/C(=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587968636 VWRFBAAZGMEZCE-FLIBITNWSA-N 332.781 5.754 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccc2)c2c(n1)-c1ccccc1C2 653731193 CVDUBIDVIBNOHU-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF COc1cc(/C=C\c2csc3ccccc23)cc(OC)c1OC 653784836 FGXWQSWXZKTWIY-HJWRWDBZSA-N 326.417 5.098 0 1 EKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(C1CCCCC1)C1CCC1 963112261 XGHRWLDFGJTPTE-IRLDBZIGSA-N 327.487 5.422 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCN2CCCCC2)cc1 1857536940 QGGWOUVIJJJJEP-UHFFFAOYSA-N 331.544 5.799 0 1 EKAF CCc1cccc(NCc2ccc(CNc3cccc(CC)c3)o2)c1 1857588076 OOWIMNYQQWYDEQ-UHFFFAOYSA-N 334.463 5.629 0 1 EKAF Cc1ccc(C[C@H]2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1 1857746194 NMEZHTGCEYPXMT-NRFANRHFSA-N 348.486 5.552 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356509843 CMIAQOJJEOLRAQ-UHFFFAOYSA-N 328.496 6.368 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@H]1[C@@H](C)CCC=C(C)C 2356628771 DLXQSJNIDUQUJQ-ILWGZMRPSA-N 332.528 6.383 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C 2356657133 VYSMXKSBLCBXET-KAGYGMCKSA-N 344.495 5.256 0 1 EKAF CC(=O)O[C@@H]1CC(C)=C(CCC(C)=CCO)[C@]2(C)CCCC(C)(C)[C@@H]12 2356756373 XEOIHOKVTGDPKG-SJBKTWHCSA-N 348.527 5.190 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 13302979 SNKPCSRNBVWIIG-FSSWDIPSSA-N 328.496 5.383 0 1 EKAF biogenic CC/C=C\C/C=C\C/C=C\C=C/[C@H](O)C/C=C\C/C=C\CCC(=O)O 27643211 DDCYKEYDTGCKAS-WUBROAPSSA-N 344.495 5.520 0 1 EKAF in-man CN(C)CCCCCCCCc1ccc(CCCCN(C)C)s1 28652558 BWZWAVJGEMGVDI-UHFFFAOYSA-N 338.605 5.077 0 1 EKAF Clc1ccc(-c2cc(-c3ccoc3)cc(-c3ccccn3)n2)s1 45353880 OHVBQCBLJOQLMJ-UHFFFAOYSA-N 338.819 5.786 0 1 EKAF CN(C)C[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 66100378 WUSGTAILSJGBRD-GUYCJALGSA-N 334.290 5.249 0 1 EKAF CC1(C)C(=C(c2ccc(O)cc2)c2ccc(O)cc2)[C@]2(C)CC[C@@H]1C2 100794293 QAUMFYYKPXCJLD-UZUQRXQVSA-N 334.459 5.746 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@H]2[C@@H]1CC/C=C(/C)CC[C@@H]2[C@H](C)CCC=C(C)C 169370898 SOAIWELMVRCOAD-GWRUDUCKSA-N 346.511 5.252 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)c2c(n1)-c1ccccc1C2 473249650 XPLYWULUFWDABV-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586883565 KWGTYVIVEOHDSX-UHFFFAOYSA-N 327.309 5.105 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 587027372 CPIWAMWMEZPXMW-UHFFFAOYSA-N 334.448 5.046 0 1 EKAF Cc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1C(F)(F)F 587095700 RLBKJTCWZVJONO-UHFFFAOYSA-N 340.348 5.634 0 1 EKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1F 587149031 FWMZCKLMVUETLA-IBGZPJMESA-N 336.341 5.010 0 1 EKAF CC(C)(C)c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587173908 AJFASSFJBQUJEJ-UHFFFAOYSA-N 341.817 5.801 0 1 EKAF Cc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587196763 WNMNOYONZCKCQT-UHFFFAOYSA-N 341.458 5.387 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCC2)C3)c1 587366828 NFSJRRVRGHHDLK-UHFFFAOYSA-N 341.410 5.634 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C3CCCC3)s1)O2 587410727 OQOWEMORMJPXRX-INIZCTEOSA-N 327.449 5.003 0 1 EKAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587511029 ZRJOAGWOGQRVFV-SFHVURJKSA-N 346.348 5.291 0 1 EKAF CC(C)(C)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526225 RURDNKMMSLQDIR-DENIHFKCSA-N 326.480 5.506 0 1 EKAF CC[C@@]1(c2ccc(C)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531013 IDAPKMRTTWGXEY-FQEVSTJZSA-N 326.461 5.206 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(F)cc(C)cc3[nH]2)cc1 587930943 IJYLKEMKIWKKMF-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF C[C@]12CC[C@@H]3c4ccc5oc6ccccc6c5c4CC[C@H]3[C@@H]1CCC2=O 1772606917 DOSJFEVROJRDQF-NLFPWZOASA-N 344.454 6.011 0 1 EKAF COc1ccc(C(=O)Oc2cc3c(C)ccc(C(C)C)c3cc2C)cc1 1772609272 AVHKGRDLIWXVHU-UHFFFAOYSA-N 348.442 5.808 0 1 EKAF Oc1ccc2c(c1)oc1c(-c3ccccc3)cc(-c3ccccc3)nc12 1857754410 BNQLFOFEFZHYLD-UHFFFAOYSA-N 337.378 6.021 0 1 EKAF CC(=O)O[C@@H]1C[C@]2(C)C(=C3CC=C(C)CC[C@]31C)CC[C@H]2C(C)C 2356397072 FTFLXFWZKWKBEX-UPZYVNNASA-N 330.512 5.827 0 1 EKAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@H]1C3 2356486561 WYIQMFYYLDLRBC-QGDCXRJCSA-N 334.544 5.654 0 1 EKAF Cc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1 13704504 FHLIAQGQHFKJLO-UHFFFAOYSA-N 342.446 5.821 0 1 EKAF CCCCC/C=C/CCCCCCc1cc(=O)c2ccccc2n1C 38192014 GXRKDSSARDBYHW-BQYQJAHWSA-N 339.523 6.168 0 1 EKAF biogenic,in-vitro CCCCCc1cc(O)c2c(c1)OC(C)(C)c1cc(O)c(C)cc1-2 43059689 XUERFRQVGLONMR-UHFFFAOYSA-N 326.436 5.433 0 1 EKAF biogenic C[C@H](Nc1cc2c([C@@H]3CCCC[C@H]3C)noc2cn1)c1ccccc1 45506063 RRBCORZOVOSGLG-HLLBOEOZSA-N 335.451 5.690 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/[C@@](C)(O)c1ccc(C(F)(F)F)cc1 49053617 RPVCQZSJQDWNFE-LUOJLBBYSA-N 338.413 5.852 0 1 EKAF CCOc1ccc2c(c1)O[C@H](c1ccccc1)[C@H](c1ccccc1)C2=O 49807353 NCLFAXCWLHCFCE-FYYLOGMGSA-N 344.410 5.186 0 1 EKAF CCC[C@H]1OC2(CCN([C@@H](C)c3ccccc3)CC2)c2ccccc21 66259213 HXQCSQKANKJRHG-PGRDOPGGSA-N 335.491 5.610 0 1 EKAF CC(=O)C[C@@H](C)CCC1CCC(Oc2ccc(OC(C)C)nc2)CC1 96167518 RLGIIRHLEDCGAK-IVMQYODDSA-N 347.499 5.202 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1C=C(C)[C@H]3CC[C@@]12C3 103128772 CJXGXOWASAFJSQ-KKFDQILXSA-N 330.512 5.519 0 1 EKAF Cc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072326 YONKVSPXEKYOPI-UHFFFAOYSA-N 348.833 5.771 0 1 EKAF Cc1cc(F)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074041 PGXDIAMOPPHTNH-QGZVFWFLSA-N 343.833 5.001 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C1CC1)CC4)-c1ccccc1C2=O 587102229 ZJYMVISKFKLEEQ-OAHLLOKOSA-N 339.438 5.270 0 1 EKAF CC(C)[C@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521658 DATFRCDBUYEDDO-FGZHOGPDSA-N 334.459 5.339 0 1 EKAF CCc1ccc(NC(=O)c2c(C)[nH]c3ccc([C@H](C)CC)cc23)cc1 587640992 CZQZWJRSFCDWGQ-CQSZACIVSA-N 334.463 5.805 0 1 EKAF CCO[C@H](C)c1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2N)cc1 587641424 FVKDTHYFHHIWEG-HUUCEWRRSA-N 336.479 6.028 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 587641472 GBUFPSPBPJRHMU-CABCVRRESA-N 334.463 5.481 0 1 EKAF CCCOc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922014 GHYNRZAQLMTWAK-UHFFFAOYSA-N 331.387 5.544 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)c(F)cc2[nH]1 587966725 FZLWFJRSTRLAHF-YRNVUSSQSA-N 337.236 5.614 0 1 EKAF Cc1cc(C)c([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1C 962708832 KDZTYPHHWYXPMW-NRFANRHFSA-N 337.488 5.414 0 1 EKAF CN(C/C=C/c1ccc2ccccc2c1)Cc1ccc2c(c1)OCCC2 1772590987 LMOHCTFERJIHNY-GQCTYLIASA-N 343.470 5.310 0 1 EKAF CO[C@@H]1CC(=CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)[C@H](OC)O1 2356654548 BCNNXHSXFZXSIE-MNVGVQDPSA-N 348.527 5.467 0 1 EKAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 61906752 YOLLXYSCPZSRRI-HNNXBMFYSA-N 336.243 5.199 0 3 EKAF CCN(c1cc(C)nc(C)n1)c1ccc(C(C)C)cc1Br 13794695 AHZVBDFXNOHIAP-UHFFFAOYSA-N 348.288 5.137 0 1 EKAF Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 27724810 VNQSYWZBMNSLRL-UHFFFAOYSA-N 330.818 6.064 0 1 EKAF CN(C(=O)c1ccc(-c2ccccn2)cc1)c1ccc(C(C)(C)C)cc1 28349845 WHMBJMSOZDPNGP-UHFFFAOYSA-N 344.458 5.323 0 1 EKAF COc1cc2c(c(OC)c1)[C@@H](C)N(c1cccc3ccccc13)[C@H](C)C2 40934189 HWSHIXIKQKOUBE-HZPDHXFCSA-N 347.458 5.369 0 1 EKAF CCCCC[C@H](O)/C=C\C=C/C/C=C\C/C=C\CCCC(=O)OC 84559403 ZGQAWLCSJFHXDF-AWCVMEGNSA-N 334.500 5.276 0 1 EKAF COc1ccc(CS/C=C\CSCc2ccc(OC)cc2)cc1 84564596 DCJPURSQPPRYKG-BASWHVEKSA-N 346.517 5.384 0 1 EKAF Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2ccncc2)n1 103229174 JCHBLXBIIQXFLJ-UHFFFAOYSA-N 339.317 5.107 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1 587080523 PVKCCGPDUHBTJM-MRVPVSSYSA-N 342.752 5.070 0 1 EKAF Cc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097288 MXHYRINRZYFTIF-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C[C@@H](C)C[C@@H](C)C1)CC2=O 587487706 GTQDQRCPSMIIKV-FEGUVQJSSA-N 330.468 5.141 0 1 EKAF Cc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587523227 HROBATKFKXGOOU-NRFANRHFSA-N 331.415 5.062 0 1 EKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc12 587524795 KGCHPDXWDIFNGK-OAQYLSRUSA-N 343.426 5.129 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cccc(Br)c3)c2c1 587638951 KPYOQELIFGGABZ-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF COCCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920092 DWVGJZGDJUCTFP-UHFFFAOYSA-N 345.851 5.156 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCCN2CCCCC2)cc1 1857537408 NVODSBDSTGAOMT-UHFFFAOYSA-N 345.571 6.189 0 1 EKAF CCCCC=CCCCCCCCCCCCCCCCC(=O)O 2356487234 UBKDYQFHAWUXEQ-UHFFFAOYSA-N 338.576 7.669 0 1 EKAF CC(C)c1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 61926064 XMXOOKCCXKRQNL-GOSISDBHSA-N 343.879 5.669 0 3 EKAF CC[C@@H](C)c1ccc(N2C(N)=NC[C@@H]2c2ccc(C(C)C)cc2)cc1 13780656 KTRUNALIHOBCOJ-IIBYNOLFSA-N 335.495 5.200 0 1 EKAF Cc1cc(Nc2ccc(OCc3ccccc3)cc2)c2ccccc2n1 27523496 BLYDTOHIRGFGHC-UHFFFAOYSA-N 340.426 5.866 0 1 EKAF Clc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 28120578 NZYOALOBSMXQRZ-SZPZYZBQSA-N 346.861 5.367 0 1 EKAF C[C@H](CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 43075727 FLABEIHNLMJFOH-QFWMQHCXSA-N 340.470 5.665 0 1 EKAF O=C(OCCC1CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 82086444 GGTBCYIAMGVEGX-UHFFFAOYSA-N 349.430 5.622 0 1 EKAF CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC 221556597 NXNVLKOGEJVPNT-NEUKSRIFSA-N 344.539 6.861 0 1 EKAF in-vitro Cc1c(F)ccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980641 ZOURYAYKJMGKPU-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF CC(C)=C/C=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099524 LPJUFXQSYRVBRK-VURMDHGXSA-N 325.411 5.734 0 1 EKAF CC(C)[C@H]1CCc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587207128 HYSIMJLAORPMPB-LSDHHAIUSA-N 341.454 5.768 0 1 EKAF O=C(c1cc(F)c(F)c(Cl)c1F)c1coc2ccc(Cl)cc12 587278505 PCIAWWWDBCMTIA-UHFFFAOYSA-N 345.103 5.388 0 1 EKAF Cc1cccc(C2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)c1 587521642 CZIPQPDRAHACHF-UHFFFAOYSA-N 332.443 5.155 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(OC)c2c1 587639930 AUVGXIZCSUATDG-GFCCVEGCSA-N 347.380 6.376 0 1 EKAF Cc1nccc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 587957705 QKPLKQQJEKBGNN-UHFFFAOYSA-N 345.487 5.185 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cccc(OCc3ccccc3)c2[nH]1 587967784 MNCRWEFWZJQLOE-OBGWFSINSA-N 346.474 6.292 0 1 EKAF C/C(=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCCC1 587968080 ORFJBUKLZUGHLF-LUAWRHEFSA-N 340.414 6.158 0 1 EKAF COc1ccc(-c2oc3ccc(F)cc3c2-c2ccnc(F)c2)cc1 1857629242 FZYYJUITJKTKIO-UHFFFAOYSA-N 337.325 5.449 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@@H]1[C@H](C)CCC=C(C)C 2356628770 DLXQSJNIDUQUJQ-CEMLEFRQSA-N 332.528 6.383 0 1 EKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](C)[C@H](O)[C@@H]4C[C@@]43CC[C@]12C 2356726898 ACKTWDWKZZRKCJ-YTFFJWBTSA-N 344.583 6.218 0 1 EKAF Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccnc2)ccc1Cl 28563860 BQWQZFAQECHLIW-UHFFFAOYSA-N 347.805 5.165 0 1 EKAF CCCCCCOc1cc(Cl)c(C(=O)CCN(C)C)cc1Cl 43060305 BSXKQZASVPAQPC-UHFFFAOYSA-N 346.298 5.087 0 1 EKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cccn1 45358158 LFHYSENBDFRQJR-JKSUJKDBSA-N 338.904 5.345 0 1 EKAF COc1ccc([C@H]2Nc3ccccc3-n3c2cc2c(C)cccc23)cc1 71340979 YBAGISUBQXVPTF-HSZRJFAPSA-N 340.426 5.462 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@@H]1CC[C@H]3O1 72136219 DSGQGIYWJKACCQ-SJORKVTESA-N 343.348 5.770 0 1 EKAF C[C@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116276909 MYONEJYVJVQVAF-AWEZNQCLSA-N 348.833 5.375 0 1 EKAF Oc1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)c1 473134819 IMNPLJQXXSMTJE-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586886497 QAYOUIQZQOZUIQ-RDTXWAMCSA-N 346.327 5.092 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2n1 587023675 OGCLEJQBJBXBCZ-UHFFFAOYSA-N 334.448 5.046 0 1 EKAF Cc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1C 587050756 LZCVLEDQDVQMPC-UHFFFAOYSA-N 341.842 5.095 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Cl)c(C)c2[nH]1 587066117 IYJKSTQVGVJIRM-LLVKDONJSA-N 335.234 5.627 0 1 EKAF COc1nccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c12 587073837 MBXGWSIOOVDORR-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF O=C(c1ccc(Br)cc1)c1coc2ccc(Cl)cc12 587276996 YNCFJFLJNUXESE-UHFFFAOYSA-N 335.584 5.080 0 1 EKAF Cc1ccc([C@@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524183 KYINTOWRWXMHMJ-DEOSSOPVSA-N 346.470 5.535 0 1 EKAF Cc1cc(Cl)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958443 CIYMNMIHFYMUAD-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1 587967710 LXPICCIZTATXQW-FMIVXFBMSA-N 340.414 6.325 0 1 EKAF CC(C)=CCC[C@@](C)(/C=C/c1ccc(C)cc1)/C=C/c1ccc(O)cc1 653717525 JTBPSQJYNDRYNK-NSDNEPAYSA-N 346.514 7.180 0 1 EKAF CCCC[C@H](C(C)C)[C@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618905 FFGRVXHODBQENY-AQOAWAETSA-N 347.543 5.258 0 1 EKAF CC[C@@]1(c2ccc(C(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963111101 QZSXSEMNVVHPQU-JTHBVZDNSA-N 337.482 5.623 0 1 EKAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@@]1(O)C2 2356736720 KVODGEBXIXGZHI-SGFYJJTCSA-N 348.571 5.313 0 1 EKAF CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccsc2n1 1905389 YFETZFKSFXPGHJ-UHFFFAOYSA-N 346.459 5.227 0 1 EKAF CCC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470790 DWGAKCJFXFNMID-GOSISDBHSA-N 349.474 6.203 0 1 EKAF CN(C)C[C@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 26991813 IOEICCJZXSKQEL-IWGMVBEKSA-N 337.551 5.574 0 1 EKAF CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(CC)c2Cl)c1 27427777 JKYKFBOYGPLNAI-UHFFFAOYSA-N 343.902 5.510 0 1 EKAF Cn1c(-c2ccccc2)c(C2CCCCC2)c2sc(C(=O)O)cc21 38317700 BNIGSPMLDODEAJ-UHFFFAOYSA-N 339.460 5.653 0 1 EKAF in-vitro CCc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1 84690082 DJDJULBOSJXEKX-UHFFFAOYSA-N 342.364 6.073 0 1 EKAF COc1cccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1 95584402 LLSYUEYMQNQWIE-UHFFFAOYSA-N 337.444 5.009 0 1 EKAF CC(C)[C@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C2CCOCC2)C1 103274457 SAMMUXQCTRFMBE-PVERMEFCSA-N 344.583 6.772 0 1 EKAF CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)N1CCCCC1 142074781 HFWMTBWJCPVZTO-LDMZJWMUSA-N 345.571 6.588 0 1 EKAF c1csc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)c1 299826301 YWPPUTMFJLLPDD-UHFFFAOYSA-N 331.465 6.110 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2cnc3ccccc3c2[nH]1 586897138 RRSHCUSGMKOJSI-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF Cc1ccc(SCc2nc3ccc(Br)cc3[nH]2)c(C)c1 586963154 FLJHFOANGCPWCY-UHFFFAOYSA-N 347.281 5.235 0 1 EKAF Cc1ccc(SCc2nc3ccc4nc(C)ccc4c3[nH]2)c(C)c1 586965492 ZEQKAVBKYCWDFM-UHFFFAOYSA-N 333.460 5.329 0 1 EKAF CCCC[C@@H](CC)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991950 RYNNGJYIAPWBME-CQSZACIVSA-N 345.442 5.836 0 1 EKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]5C=C[C@H]4C5)nc13)-c1ccccc1C2=O 587099510 LJMUXGOXURXVHC-YZVOILCLSA-N 337.422 5.434 0 1 EKAF CCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)o1 587100516 BGYYWIJFQXVPGC-UHFFFAOYSA-N 339.394 5.577 0 1 EKAF CC(C)(C)c1nc2cccc3c2c(c1Cc1ccc(Cl)cc1)CC3 587209204 JPMAWXKQXLDOQG-UHFFFAOYSA-N 335.878 5.875 0 1 EKAF Cc1oc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534832 ZPCQJOBYNBLMGH-FQEVSTJZSA-N 332.399 5.327 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(F)(F)F)c2c1 587642127 OUFUYQSFZUNAOE-NSHDSACASA-N 346.352 5.488 0 1 EKAF CCC[C@H](C)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810630 DFTFVWBPTCTIBA-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)[C@H]1C[C@@H]1c1ccc(OC)cc1 963245098 ZFGBLMRJFRKNAK-UTZTXDCNSA-N 349.518 5.371 0 1 EKAF CCC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 2356698616 FMPYPHJPXNPQNT-RBZFPXEDSA-N 340.419 5.070 0 1 EKAF O=C(O)CCCCCSc1ccc(CCCc2ccccc2)cc1 13726580 MMGXELIVIIVQMG-UHFFFAOYSA-N 342.504 5.599 0 1 EKAF CCCCCCC(=O)CCCCCCCC/C=C/C(=O)N1CCCC1 14619903 PKNHPNCVMGDUJC-QGOAFFKASA-N 349.559 5.825 0 1 EKAF CCC(=O)c1ccc(OCCCCCCCc2cc(C)no2)cc1 27854616 RXUIQPRRPHMIPI-UHFFFAOYSA-N 329.440 5.148 0 1 EKAF FC(F)(F)c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 35035343 XCMQPCUBUUDXPS-UHFFFAOYSA-N 349.355 6.588 0 1 EKAF CC(C)=CCOc1cc(Nc2nccn3cccc23)ccc1Cl 35075886 IEXPEHPAVSBEFT-UHFFFAOYSA-N 327.815 5.076 0 1 EKAF Cc1cccc(C)c1-c1ccc2nc(Nc3ccccc3)nnc2c1 37858317 OYVBTDSVIPSNGN-UHFFFAOYSA-N 326.403 5.052 0 1 EKAF Oc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1 42921419 IFYZUCLJFYPSHF-UHFFFAOYSA-N 348.427 5.406 0 1 EKAF CC(C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=S)cc1 64559297 CCYRVUZFZNHYGW-UHFFFAOYSA-N 331.824 5.090 0 1 EKAF CCC/C=C/c1oc(CCCCCCCCC(=O)OC)c(C)c1C 238780005 KABWSHPOQRAYAB-SDNWHVSQSA-N 334.500 6.156 0 1 EKAF Cn1cc([C@H]2CC(=O)c3cc(Cl)ccc3S2)c2ccccc21 299839308 SGHDHKJTMKYTQB-GOSISDBHSA-N 327.836 5.252 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586879024 NZSWUDGAYVRBIA-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF COc1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cc1F 586879057 OIQWJXLMFQMWDY-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF Clc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586888038 VYOSEANHIMSJLF-XIKOKIGWSA-N 329.230 5.241 0 1 EKAF CC(C)Oc1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587033508 JEGUFTSEEDDRQI-LBPRGKRZSA-N 326.465 5.203 0 1 EKAF CC[C@H](Oc1ccc(C)c(C)c1)C(=O)c1coc2ccc(Cl)cc12 587276002 JEWCXXJYLGZNIG-SFHVURJKSA-N 342.822 5.743 0 1 EKAF O=C1C[C@H](c2cc(F)cc(F)c2Cl)Oc2c1ccc1c2CCCC1 587506158 MQLFZFCGECMBPC-QGZVFWFLSA-N 348.776 5.204 0 1 EKAF Clc1cncc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949583 ICLWSTWHCBHQQN-KHPPLWFESA-N 347.805 5.574 0 1 EKAF CC/C(=C/c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(C)cc1 587965750 DKMAXWSNUCPFHG-WQLSENKSSA-N 331.341 5.236 0 1 EKAF Cc1cc(C)c(Nc2nc(-c3sc(C)nc3C)cs2)c(C)c1 1857555514 MAMHQPZLTJIILN-UHFFFAOYSA-N 329.494 5.552 0 1 EKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 3870960 OCAXFDULERPAJM-JKWVGCSGSA-N 341.882 5.071 0 3 EKAF in-vitro CNc1c(C)c(O)c2c(c1O)[C@H](C)CC[C@H]2[C@H](C)CCC=C(C)C 15150372 KZZKJBOEEWEBSF-FMKPAKJESA-N 331.500 5.811 0 1 EKAF biogenic CCN(CC)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29485689 CMPKTAXJJJLOGY-VQIMIIECSA-N 334.290 5.912 0 1 EKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3c1ccccc1 104106469 TZRCPETWGMZHHD-NRFANRHFSA-N 340.426 5.757 0 1 EKAF N=C1CCCCCCCCCCCN1[C@@H]1CCC[C@H]1c1ccccc1 140266958 PHSYVYPNRCSHQN-FCHUYYIVSA-N 340.555 6.517 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCCC/C=C/C(=O)O 219952423 MRCRUNUUPSVOFD-WNZNBFKUSA-N 326.521 5.860 0 1 EKAF in-vitro CCC[C@@H]1CC(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206286 CCUFALNJDOJDSJ-OAHLLOKOSA-N 339.438 6.137 0 1 EKAF C[C@@H]1c2ccccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206447 DDKAJOXWTMFDEU-CYBMUJFWSA-N 333.390 5.578 0 1 EKAF Cc1nc(C(F)(F)F)ccc1C(=O)c1coc2ccc(Cl)cc12 587278702 RTZJJQOMXMBBAR-UHFFFAOYSA-N 339.700 5.039 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1nc2ccc(F)cc2s1 963223714 DAPCTTOOFKGWOK-ORAYPTAESA-N 340.467 5.181 0 1 EKAF c1ccc(NCc2nc3cccc(OCC4CCCCC4)c3[nH]2)cc1 1857619403 AVYKSWTWJAMSLU-UHFFFAOYSA-N 335.451 5.134 0 1 EKAF CC(=O)CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 2356447758 CIIWZLVTUAUIGG-XDSKOESGSA-N 348.527 5.635 0 1 EKAF CCCCCC=CC[C@H](O)C=CC=CCC=CCC=CCCC(=O)O 2356578409 QLXUWTYTRCCZFU-NRFANRHFSA-N 346.511 5.744 0 1 EKAF CCCN(CCC)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 13862490 HELHZAWKLDTAKM-UHFFFAOYSA-N 346.474 5.472 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)cc2-c2ccccn2)cc1 26647972 OLEFUWVGCVDUAF-UHFFFAOYSA-N 348.808 6.203 0 1 EKAF c1ccc(CCCN[C@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 26828900 DLHHIMFCIUQZER-UKILVPOCSA-N 341.498 5.356 0 1 EKAF CC(C)(C)c1cc(-c2cn3ccsc3n2)cc(C(C)(C)C)c1O 27105642 KCALOMBBUXBPOY-UHFFFAOYSA-N 328.481 5.363 0 1 EKAF Cc1cccc(CNc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)c1 82161728 RRECYIWBRXHVAT-UHFFFAOYSA-N 343.352 5.083 0 1 EKAF COc1cc(Cl)ccc1-c1nc2ccc(C(F)(F)F)cc2o1 84732071 RAJRHDXKBGPCCW-UHFFFAOYSA-N 327.689 5.176 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2O1 102235265 XOTZRPRCGXHFHS-ROUUACIJSA-N 338.838 5.506 0 1 EKAF Cc1ccc2c3c(cc(-c4ccccc4F)nc13)-c1ccccc1C2=O 586994693 CFIXQVTXJORHJC-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF CC(=O)Cc1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 587099544 LYZLRTHTTKHDSP-UHFFFAOYSA-N 343.426 5.010 0 1 EKAF CC(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356694 RCDQVSRNAIVDTI-TZIWHRDSSA-N 342.410 5.085 0 1 EKAF C[C@]1([C@H]2C[C@@H]2c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530767 HKSGXMBWEJIUJR-XGHQBKJUSA-N 338.472 5.155 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c([C@H](C)C(=O)O)c2c1 587643765 WKNXQOVIVGXWAR-STQMWFEESA-N 339.410 5.676 0 1 EKAF COc1ccc(Cc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 587920532 JAMUTWRZLXWMNN-UHFFFAOYSA-N 339.460 5.035 0 1 EKAF COc1cccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c1 1772624936 HEJSIBXLXYOYQI-UHFFFAOYSA-N 334.806 5.355 0 1 EKAF Fc1cccc(Nc2ccnc3cc(OCc4ccccc4)ccc23)c1 1857564460 ZZRDCHZOVGCUTJ-UHFFFAOYSA-N 344.389 5.697 0 1 EKAF CN1c2ccccc2[C@H]2C=C(/C=C\c3ccc4ccccc4c3)C=C[C@H]21 28117138 ASCIXCTXNMXQCC-HZBKBRKESA-N 335.450 5.951 0 1 EKAF C[C@H](c1ccccc1)N1COc2cc3c(cc2C1)c1ccccc1n3C 49808329 XEXXQSSYUGVNNQ-MRXNPFEDSA-N 342.442 5.245 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2cccc(OCCCC)c2)n1 72184005 ZTEOWEAOZSKNQJ-QGZVFWFLSA-N 344.499 5.579 0 1 EKAF CCNc1c(-c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cn12 207020393 SKTMPVUPTJNYLK-UHFFFAOYSA-N 339.748 5.105 0 1 EKAF C[C@@H]1CC=C2[C@@H](CC[C@H](O)C2(C)C)[C@]1(C)Cc1cc2ccccc2[nH]1 238744460 NWZFBXAZCWQDKL-NXWICYHLSA-N 337.507 5.480 0 1 EKAF Cc1ccc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587099367 GHNCOWBQZGBTRR-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF CCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503000 KCEVKNSEFCFWFT-JOCHJYFZSA-N 338.422 5.365 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3OC)c(NC(C)C)c2c1 587643834 XQRKTLYOALEYKR-HNNXBMFYSA-N 336.479 6.177 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587930710 GBDXTYUAHJKTSK-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF C[C@@H](N[C@H]1CCCc2c1[nH]c1ccccc21)c1cccc2ccccc12 653773232 FIFWXPOXYQZXBG-MWTRTKDXSA-N 340.470 6.049 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2F)(C2CC2)N1 962961242 TYIOQGFMVYBLCT-UZUQRXQVSA-N 348.465 5.079 0 1 EKAF CC(C)=CC=C[C@@]1(C)CCc2c(cc(C)c(CC=C(C)C)c2O)O1 2356652101 ORUDNNWDGASPOM-QFIPXVFZSA-N 326.480 5.815 0 1 EKAF CC(=O)O[C@H](C[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C)C(C)=CCO 2356729643 XXKXYCZWYIZXHT-VMBXEPDQSA-N 348.527 5.046 0 1 EKAF CC1(C)[C@H]2CC[C@@]3(C)[C@H](Cc4cc5ccccc5n43)[C@]2(C)CC[C@H]1O 15263804 FTYDACQRNQFAGR-SXDAZYNYSA-N 337.507 5.126 0 1 EKAF biogenic FC(F)(F)c1cccc([C@H]2SC3(CCNCC3)c3ccccc32)c1 27870073 YMWBTHSZJPLXTK-QGZVFWFLSA-N 349.421 5.120 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)NC 29557839 HIAMCIYIBAUQOY-KPMWKZHNSA-N 333.516 5.415 0 1 EKAF CCCC/C=C\CCCC/C=C\CCCC/C=C\CCCC(=O)O 33822167 WFZRFURXWIWUMA-CTUPJDJCSA-N 334.544 7.221 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40689002 SOAIWELMVRCOAD-WKMYXQANSA-N 346.511 5.252 0 1 EKAF CC(C)NCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45187960 MLVSNYSKTCHQKU-UHFFFAOYSA-N 341.458 5.395 0 1 EKAF O=C(C[C@@H](Sc1ccccc1)c1ccco1)c1cccc(Cl)c1 103167702 GVMQJADNILYVMT-LJQANCHMSA-N 342.847 6.039 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)OC(C)C)ncc2c1 169700004 MPCHNWRBVGJBED-UHFFFAOYSA-N 338.382 5.306 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)CC(C)(C)C4)-c1ccccc1C2=O 587100031 DTVRREQMQSWIKI-CQSZACIVSA-N 341.454 5.831 0 1 EKAF C/C=C(/C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365589 MDPMXTZWHLPLAU-CPSFFCFKSA-N 329.399 6.080 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3c(C)cccc13)CC2=O 587485959 SHAYKPCFJSRHML-QFIPXVFZSA-N 349.430 5.015 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3ccccc3cc2[nH]1 587932209 VQWKICJSUDNZHN-HTAPYJJXSA-N 328.415 5.170 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1F)C1CCC1 963230350 PHFWTOCBMVZTBT-HXOBKFHXSA-N 337.482 5.526 0 1 EKAF CN(C)c1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 74386890 AZQSNIXIFNYBGN-UHFFFAOYSA-N 346.409 5.179 0 3 EKAF O[C@@H](CC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 13730168 AXUFIAPYKHZLJF-DEOSSOPVSA-N 345.486 5.176 0 1 EKAF CCCCc1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 26380242 QZAGIYLQBSTHOM-UHFFFAOYSA-N 333.236 5.014 0 1 EKAF C/C=C(/C=C/C=C\C=C(C)/C=C1\CCCC(CC)=C1C(C)C)C(=O)O 169291015 KRRKCGFSBZNROB-VXKNBFTCSA-N 340.507 6.549 0 1 EKAF C[C@H](C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N=O 169684307 SMYGCCOEFJLMEV-OHPASALJSA-N 345.527 5.471 0 1 EKAF FC(F)(F)c1c(Cc2ccccc2)n2c3c(cccc13)CCCC2 205796081 FWUKGJWKSVIBEX-UHFFFAOYSA-N 329.365 5.587 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccccc2F)n1 205846918 JZLFIFMVOTYRNK-LJQANCHMSA-N 333.410 5.081 0 1 EKAF CCCCC[C@H]1O[C@H](CCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 238750162 RVTUJFHXENKYMN-VNTMZGSJSA-N 340.548 5.900 0 1 EKAF CCCOc1cc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586892807 WTYKBOGIUXGSDY-MGPLVRAMSA-N 337.261 5.018 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1[C@H](C)CC(C)C)-c1ccccc1C3=O 587099228 CUAPMYVDGPXOGS-OAHLLOKOSA-N 343.470 6.213 0 1 EKAF Cc1cccc([C@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525860 SGMSYIGHJGFRRL-DEOSSOPVSA-N 348.486 5.781 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1 587932506 PFWWFJUSVXKXPJ-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF CCCC/C=C\c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587965938 QJZYTSIQIHBBBN-FPLPWBNLSA-N 337.261 5.316 0 1 EKAF CCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470392 JUMKPLUQMBWMSK-UHFFFAOYSA-N 331.463 5.803 0 1 EKAF C[C@@H](CC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 43075730 FLABEIHNLMJFOH-NWVWQQAFSA-N 340.470 5.665 0 1 EKAF C[C@@H]1CCc2ccccc2N1Cc1coc(-c2ccccc2Cl)n1 72142911 OAYMKFFZLDXXSE-CQSZACIVSA-N 338.838 5.336 0 1 EKAF CO[C@@]12CC[C@]3(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]3C1=CC(=O)O2 86002329 FCFUSYHGZLEMJM-FMBHZSPRSA-N 346.511 5.123 0 1 EKAF in-man O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(Cl)ccc1O 95577023 IADKSVGZRBMFHE-UHFFFAOYSA-N 339.778 5.090 0 1 EKAF Clc1ccccc1COc1ccc([C@H](C2CC2)n2ccnc2)cc1 96938129 QHNCYQLVTRZTPT-FQEVSTJZSA-N 338.838 5.115 0 1 EKAF COc1cccc([C@@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)c1 100796350 MTGSKLQPUFXFOL-GFCCVEGCSA-N 341.407 5.360 0 1 EKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)cccc3[nH]2)cc1 586881580 WLFCWPKENFYRLZ-UHFFFAOYSA-N 342.398 5.212 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(F)c(F)c4[nH]3)cs2)cc1 587015507 FZURYWLEKLRPIX-UHFFFAOYSA-N 341.386 5.194 0 1 EKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023082 DIPZJLJKERBVPI-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587025125 HMYSDPOUYNABHR-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Fc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128274 IMCRMJGTDIDQDI-UHFFFAOYSA-N 345.349 5.430 0 1 EKAF O=C1C[C@H](c2ccc(-c3ccco3)cc2)Oc2c1ccc1c2CCCC1 587532619 MEYRLUDBYHHMML-JOCHJYFZSA-N 344.410 5.532 0 1 EKAF O=C1C[C@@H](c2ccc3sccc3c2)Oc2c1ccc1c2CCCC1 587536136 RYMKNBPFKRMLNC-IBGZPJMESA-N 334.440 5.487 0 1 EKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624691 RNRIYJSNUCNWIN-UHFFFAOYSA-N 347.792 5.861 0 1 EKAF Cc1ccc2nc(C(c3ccccc3F)c3ccccc3F)n(C)c2c1 1857549261 AICGPUMOBKFHNT-UHFFFAOYSA-N 348.396 5.340 0 1 EKAF CC(C)=CCC[C@@]1(Sc2ccccc2)C(=O)OC[C@@H]1C=C(C)C 1862099 PHICXSXVRZDAIF-PXNSSMCTSA-N 330.493 5.403 0 1 EKAF C[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 13833042 DRIFNPBKGHUWAN-PGRDOPGGSA-N 329.528 5.352 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC[C@H]2C 26381520 KLRDHDUDDBEDKO-WTNDLDAUSA-N 334.459 6.120 0 1 EKAF C1=C2\CC[C@H](Sc3ccccc3)[C@H]2C2(CCCCC/1)OCCO2 31851938 IFZRGLLWHBHOTE-CZKNHELESA-N 330.493 5.191 0 1 EKAF CC[C@H](c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)n1ccnc1 40976815 PKWLGTQHLJMGCE-GOSISDBHSA-N 346.352 5.448 0 1 EKAF CCCCCC[C@H]1Cc2c(Cl)cccc2[C@@H](c2ccccc2)N1 72183156 XFZPZSZFJDXOFG-LAUBAEHRSA-N 327.899 5.914 0 1 EKAF CCN(Cc1coc(-c2ccc(C)cc2)n1)c1cccc2ccccc12 72183996 XEEBGNUFADYYPX-UHFFFAOYSA-N 342.442 5.830 0 1 EKAF COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2C(=O)C(C)(C)C)cc1 102879414 HTUPCAPIZVAUOT-UWJYYQICSA-N 349.474 5.169 0 1 EKAF CC(C)(C)/C(O)=C/C1=N[C@H]2CCCC[C@H]2N=C1/C=C(\O)C(C)(C)C 104703874 CXQOZEWPWHHEFX-PZYVQDCKSA-N 332.488 5.169 0 1 EKAF CC(C)CNCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1 220494486 MFSDNPOSUWVQHI-UHFFFAOYSA-N 349.430 5.163 0 1 EKAF CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@]45C[C@]4(C)CCC[C@H]35)C2)O1 238771202 XVSVCWJDKBTGFP-YQKAUVFSSA-N 346.555 5.941 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H]([C@H](CC(Cl)(Cl)Cl)c1ccccc1)C2 238784793 MLQBQHSXJGIITR-QKPAOTATSA-N 346.729 5.403 0 1 EKAF COc1ccc(-c2c[nH]c3ncc(-c4cccc(C)c4)cc23)cc1OC 299826678 HNGSJXZYXQEDOC-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF Clc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587063103 ONXKQAKFWAOKFA-UHFFFAOYSA-N 330.174 5.192 0 1 EKAF CC(C)C[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206459 DIPWRPZJPDPHHR-CQSZACIVSA-N 327.427 5.207 0 1 EKAF CC(C)C[C@@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526163 RFMQQESMELNWRT-JTHBVZDNSA-N 348.486 5.729 0 1 EKAF O=C1CC2(CCC(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587526846 UDUOBRXJYFXEDD-UHFFFAOYSA-N 346.470 5.627 0 1 EKAF CCc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Cl)cc1Cl 587623435 GUDAUIAHJFRFCZ-UHFFFAOYSA-N 338.665 6.666 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(Cl)c3)c(O)c2c1 587639597 ALPAAKWNVUEVDB-LLVKDONJSA-N 329.827 5.716 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(C)=O)c2c1 587640246 GOCGKBXWHOQUGI-GFCCVEGCSA-N 325.839 6.204 0 1 EKAF CCCC[C@@H]1CCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962696495 FSXMVXFHGLPZTL-WWMYMODYSA-N 347.543 5.375 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2-c2ccco2)N1 962946788 JIPACQSPRKNSGV-IVZQSRNASA-N 342.442 5.442 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(F)cc1)C(C)(C)C 963236144 XMYCWHMZNKYKOO-SBUREZEXSA-N 339.498 5.772 0 1 EKAF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356793624 KQWNYIGNELPPHS-KPLVRAHFSA-N 342.479 5.432 0 1 EKAF CC(=O)O[C@@H]1Cc2cc(C(C)C)c(O)cc2[C@]2(C)CCCC(C)(C)[C@@H]12 13302222 DKFWEVHDRVCABW-SJBKTWHCSA-N 344.495 5.087 0 1 EKAF biogenic CC(=O)OC1=C(c2ccccc2)Sc2ccc(C)cc2-n2cccc21 13739878 AAHGDCOQBZOQPP-UHFFFAOYSA-N 347.439 5.280 0 1 EKAF CC[C@@H](c1ccccc1)[C@H]1C(=O)CC(CC(C)C)(CC(C)C)OC1=O 13760354 QSNGGUCNKQVWOS-ICSRJNTNSA-N 344.495 5.143 0 1 EKAF CCCC[C@H](CC)C/C=C1\C[C@@H](C(=O)OCC)Oc2ccccc21 13816081 YIUAKHWCTFVMNC-VGTDUCAZSA-N 330.468 5.391 0 1 EKAF Fc1ccc(CCCCN2CCC(c3ccc(F)cc3)CC2)cc1 27556709 DLKFOZGQBARTKU-UHFFFAOYSA-N 329.434 5.167 0 1 EKAF c1ccc(CC2CCN(CCCSc3ccccc3)CC2)cc1 27563071 LZAJCBKXRGTZBY-UHFFFAOYSA-N 325.521 5.124 0 1 EKAF CCC[C@H](C[C@@H]1CCC[C@H]2CCC[C@@H](C)N12)OC(=O)c1ccccc1 85802788 IGRSTMLFLWBIPT-AYWYSENESA-N 343.511 5.198 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)cc(-c2ccccc2O)n1 473135916 VXZPQDXVEFPVBH-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF Cc1cnc(Cl)c2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc12 586897087 XCCJUZBYMICDHD-UHFFFAOYSA-N 343.858 5.539 0 1 EKAF Fc1cc(Br)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587161615 ZABLNDGZEVTSAO-UHFFFAOYSA-N 345.215 5.010 0 1 EKAF CCOc1ccc(-c2nc3cccc4c3c(c2C)CC4)cc1OCC 587213567 JFTDDDXBAVAIRJ-UHFFFAOYSA-N 333.431 5.106 0 1 EKAF Oc1ccccc1-c1nc2cccc3c2c(c1Cc1ccccc1)CC3 587215513 ITAOTZCCFORSAT-UHFFFAOYSA-N 337.422 5.297 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](CC(C)(C)c1ccccc1)CC2=O 587490135 RUJKZDYHRVDZGB-INIZCTEOSA-N 338.447 5.046 0 1 EKAF C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497404 AOKSPVQLBDAFBR-FQEVSTJZSA-N 326.823 5.099 0 1 EKAF CC(C)CC[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522664 GFEANRVRRLCUCJ-VGSWGCGISA-N 326.480 5.506 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccco3)c(C(=O)c3ccccn3)c2c1 587644156 OKRPYYCSBDODFL-CQSZACIVSA-N 344.414 5.567 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C)N1 587812179 ISSNOHHJOHEEHJ-PIGZYNQJSA-N 342.296 5.164 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2=CCCCC2)N1 587817264 BAMVIXUXYNXWGB-PIGZYNQJSA-N 338.264 5.054 0 1 EKAF C/C(=C\c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C1CCCCC1 587968176 PPKTYBVPCQOIGC-JQIJEIRASA-N 344.458 5.778 0 1 EKAF CCC(C)(C)[C@]1(c2cccc(C)c2)NCCc2cc(C)c(F)cc21 962142003 CSZRVVCHDGFZQZ-JOCHJYFZSA-N 325.471 5.268 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCc1ccc(Cl)cc1C2 963225596 FLTIZOXLBJSDGO-OPAMFIHVSA-N 339.910 5.381 0 1 EKAF CC(=CC(=O)OCc1ccoc1)CCC=C(C)CC(=O)CC(C)C 2356692829 MDTMZPYAXNHSOT-UHFFFAOYSA-N 332.440 5.001 0 1 EKAF CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4n3)ccc21 6338009 BRPOFDDDQIAMHZ-SDNWHVSQSA-N 348.449 6.533 0 1 EKAF COc1cccc2c(-c3ccc(O)c4c(OC)cccc34)ccc(O)c12 13377011 PJIHOMLREDSYPG-UHFFFAOYSA-N 346.382 5.088 0 1 EKAF biogenic CC(=O)Oc1cc2c(cc1C(C)C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 14695577 GOFVGQQVAVJCMR-RBBKRZOGSA-N 328.496 5.766 0 1 EKAF biogenic CC[C@@H](C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 29061404 LHFFQFRAOUEGEB-LLVKDONJSA-N 325.235 6.080 0 1 EKAF in-vivo COc1cc(COc2ccccc2CCc2ccccc2)cc(OC)c1 29134792 BTYCHLFPEZYCNJ-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF COc1ccc2ccccc2c1Nc1c(OC)ccc2ccccc12 60326568 WXPPKURNJIRJMQ-UHFFFAOYSA-N 329.399 5.754 0 1 EKAF CCCCCc1cc2c(c3occc13)-c1cc(C)ccc1C(C)(C)O2 224813475 ZASSHXADZQOFCK-UHFFFAOYSA-N 334.459 6.768 0 1 EKAF Cc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1F 587165976 JRSSIUGVPUPTAN-UHFFFAOYSA-N 337.373 5.130 0 1 EKAF Cc1ccc(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1N 587251092 YDQPSCTXQUCZSR-UHFFFAOYSA-N 343.430 5.031 0 1 EKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccncn2)cc1 587630597 MIQAXGYGMACRBB-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CCCc1[nH]c2ccc(F)c(Cl)c2c1NC(=O)OC(C)(C)C 587631157 IBMJIIIDGWNNHM-UHFFFAOYSA-N 326.799 5.260 0 1 EKAF CC(C)CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811801 HNWOCVFQVCJVDO-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF CC(C)=CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812777 KIDZPFQAEFEMME-SJCJKPOMSA-N 340.280 5.084 0 1 EKAF CCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818554 INEWGMDIYCSHJD-BDJLRTHQSA-N 328.269 5.134 0 1 EKAF CCC(CC)c1ncc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)s1 963117889 ZMRKGUPUDSREKG-LPHOPBHVSA-N 344.499 5.296 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(C)(C)c1cc(OC)ccc12 963226976 IYHMMGAFRPRWGZ-OSPHWJPCSA-N 349.518 5.277 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(-c2ccccc2)noc1C 963241219 MSEICVCOVAFENK-HJPURHCSSA-N 346.474 5.396 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccccc2)c1 1857594967 QBAIWNFMSBLJKG-UHFFFAOYSA-N 328.824 5.713 0 1 EKAF Cc1ccc2[nH]c3c4c(c(C)cc3c2c1)O[C@]1(C)CC[C@@H]2[C@@H]1[C@H]4C2(C)C 2356467508 UAEHAKMCIFYYGZ-AYFLJRIOSA-N 345.486 6.239 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(C)cc(O)c2O1 2356792313 JOWDYSMEPOQVNZ-JOCHJYFZSA-N 326.480 6.338 0 1 EKAF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356793623 KQWNYIGNELPPHS-JUXOCIIHSA-N 342.479 5.432 0 1 EKAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)cs1 3833995 XGMIGTBDTMGCBK-UHFFFAOYSA-N 343.279 5.996 0 1 EKAF Nc1sc2c(c1C(=O)c1ccc(Cl)c3ccccc13)CCCC2 13493366 ZRELUMOAJBKHRK-UHFFFAOYSA-N 341.863 5.247 0 1 EKAF CCc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)c(CC)c2)ccc1O 40466755 AZJUBZWEJLKTRH-BGYRXZFFSA-N 326.480 5.910 0 1 EKAF Cc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1C 72108995 GFBPGVKTFGUQFZ-QHCPKHFHSA-N 337.507 5.632 0 1 EKAF CCCC(=O)NCCCC/C=C\CCCCCCCCCC(=O)O 72110779 AETFBLYCCWQBET-CLFYSBASSA-N 339.520 5.225 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(C3CCCC3)on1)O2 72113662 GDPIGYVLDVIRMP-OAQYLSRUSA-N 341.451 5.203 0 1 EKAF CC(=O)Nc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 210974637 YFNHRBKPZLMUSM-UHFFFAOYSA-N 326.399 5.460 0 1 EKAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587067328 UQUVYRDJALHHBU-UHFFFAOYSA-N 343.711 5.083 0 1 EKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccccc3[nH]2)c(F)c1 587145453 XDLXPDCSCYRVHO-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF CC(C)=CCOc1ccc(Cc2c(C)nc3cccc4c3c2CC4)cc1 587214226 OVEKQNAUHTVFMW-UHFFFAOYSA-N 343.470 5.578 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2OCC[C@@H]32)c1 587364294 BFBRDWUZXAKQQE-BTYIYWSLSA-N 343.382 5.215 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(F)cc(F)c3[nH]2)cc1 587563749 AGERAMPUKAMKCJ-UHFFFAOYSA-N 330.378 5.108 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587623279 DKBKEHDRJYASFS-UHFFFAOYSA-N 338.665 6.666 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3)c(C(F)(F)F)[nH]c12 587624936 WMMFOKPTXHIUSM-UHFFFAOYSA-N 337.728 5.380 0 1 EKAF CSc1ccc(-c2csc(COc3ccc(Cl)cc3)n2)cc1 587925937 WDNYFHIKRYFAAI-UHFFFAOYSA-N 347.892 5.764 0 1 EKAF Clc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Cl 587968208 LSFOJPRKAMUUNM-HJWRWDBZSA-N 339.225 6.193 0 1 EKAF Cc1cc(F)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(Cl)c1 963102674 DUIZVIGBJMQEHZ-INIZCTEOSA-N 344.644 5.329 0 1 EKAF Clc1ccc2c(c1)CCN[C@@]21Cc2ccccc2Nc2ccccc21 963391281 RVJYBHBPLUXVDD-QFIPXVFZSA-N 346.861 5.029 0 1 EKAF CCC(CC)Cc1cc2c(s1)CCN1Cc3ccccc3C[C@H]21 1857631819 MVEVWWXCIPTQAQ-HXUWFJFHSA-N 325.521 5.382 0 1 EKAF CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2sccc2n1 1905385 VVJMZWUBRHBXOH-UHFFFAOYSA-N 346.459 5.227 0 1 EKAF COC(=O)[C@@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)cc12 13302406 OTVSVVDNOOVYKN-DENIHFKCSA-N 344.495 5.002 0 1 EKAF biogenic CCCCS[C@H]([C@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45394287 CRYLQIVORPQSTP-IAGOWNOFSA-N 338.904 5.346 0 1 EKAF CC(C)c1ccc(CNCC[C@@H](c2ccccc2)c2ccco2)cc1 49034197 DCKSTBSETURYFX-QFIPXVFZSA-N 333.475 5.715 0 1 EKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3ccccc3F)n2)CC(C)(C)C1 82068714 HGLKHKJOZYFGDB-ZIAGYGMSSA-N 329.419 5.035 0 1 EKAF CC(=O)OC(C)(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 238747671 JDYQUVYFBYLQIM-CNNODRBYSA-N 330.512 5.827 0 1 EKAF CCCC[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299867624 QKEJACMJNKZASB-YMHSLHOESA-N 349.518 5.926 0 1 EKAF CCc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1Br 586977376 MFOZYJOZNMPWJB-UHFFFAOYSA-N 347.281 5.277 0 1 EKAF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3ccsc3)nc2c1 587026849 YYZZRODQWRARSJ-UPHRSURJSA-N 328.746 5.467 0 1 EKAF O=C1C[C@]2(CCC[C@H](c3cccnc3)C2)Oc2c1ccc1c2CCCC1 587516023 TVGDBBSKQUJXKE-GAJHUEQPSA-N 347.458 5.022 0 1 EKAF CCCC1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587523349 HXWAZIDENKDHLD-GRXDXKALSA-N 326.480 5.506 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(F)(F)F)c2c1 587643902 YNORDMYXXAYICL-LBPRGKRZSA-N 333.353 6.247 0 1 EKAF Brc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587968661 NCZPAADUPIXHAJ-FLIBITNWSA-N 349.231 5.649 0 1 EKAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 13834986 NVKKJHXNQMXJRD-UHFFFAOYSA-N 348.475 5.138 0 1 EKAF CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12 26646126 QBUNYKZCKJJRII-UHFFFAOYSA-N 346.396 5.348 0 1 EKAF O=C(O)CCCCCCc1ccc(CCCc2ccc(O)cc2)s1 26848116 ASUJAYPHKLXKKQ-UHFFFAOYSA-N 346.492 5.207 0 1 EKAF Clc1ccc([C@H](CCCc2ccccc2)[C@H]2CCCCN2)cc1 35090463 FZAYBHQQLZFDLP-LEWJYISDSA-N 327.899 5.589 0 1 EKAF in-vitro Cc1cccc(-c2nc(CN[C@@H](C)c3cccc4ccccc34)co2)c1 72103823 WSKDLGOZDCAYBI-KRWDZBQOSA-N 342.442 5.654 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-n3nc(C)cc3C)c2c1 96910152 GPBFYDZOXJGTPC-UHFFFAOYSA-N 335.838 5.599 0 1 EKAF Cc1cccc2sc([C@H]3NCCc4c(F)cccc43)c(Cl)c12 144727660 FFRWIMLRKNXBQV-KRWDZBQOSA-N 331.843 5.237 0 1 EKAF CN(C)c1ccc([C@@H](C[C@@H](N=O)c2cccnc2)c2ccccc2)cc1 169730260 ZUKBYVFWUNDXKQ-FCHUYYIVSA-N 345.446 5.177 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 586962883 IQHQQFIGVHNRLF-LLVKDONJSA-N 336.382 5.576 0 1 EKAF COc1cc(-c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587045894 IWIUHPOQWOBRDU-UHFFFAOYSA-N 344.842 5.235 0 1 EKAF COc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1OC 587055818 XUVRYCVGHHUSDO-SREVYHEPSA-N 349.217 5.057 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097113 FCWVPXZLLABRFI-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF Cc1ccc2c3c(cc(C4(C)CCCCC4)nc13)-c1ccccc1C2=O 587099495 LAMXPJRHKPCLRK-UHFFFAOYSA-N 341.454 5.976 0 1 EKAF CC[C@H]1C[C@@H](C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101289 RVKWVLQJFBGCMD-HIFRSBDPSA-N 341.454 5.831 0 1 EKAF Cc1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587162468 BMHTUSXZZNDZAZ-VBKFSLOCSA-N 334.419 5.661 0 1 EKAF Cc1ccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587205433 AITJGGSJNJIAAR-BUHFOSPRSA-N 347.417 5.925 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587208767 ZHYKXQNURXYUAT-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 587479473 IKBIKJCPRTVVMN-HXUWFJFHSA-N 338.447 5.349 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cccc(Br)c1 587628689 SCHUFKFSWLGOKL-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Cl)c(Cl)c1 587629088 ZYJHSJOESXNVEO-UHFFFAOYSA-N 342.628 6.166 0 1 EKAF Fc1ccc(F)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(F)(F)F)c1 587629512 AHZHWCMJBDFGAO-UHFFFAOYSA-N 349.661 5.924 0 1 EKAF CC(C)c1c(-c2cccc(Br)c2)[nH]c2cccc(F)c12 587633138 YLXSZKJVRIUOBH-UHFFFAOYSA-N 332.216 5.860 0 1 EKAF CCC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814241 SHGVBQYBBZFYFO-DIFFPNOSSA-N 342.296 5.164 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]2C1(C)C 2356589170 CGCMREBLRQFVLX-VWPQPMDRSA-N 328.496 5.382 0 1 EKAF Cc1ccc([C@@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5892429 NXUQYLPIGHJEMX-NRFANRHFSA-N 347.849 5.478 0 1 EKAF c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1 13686534 UHWGSYGCZUMSMO-UHFFFAOYSA-N 348.409 5.354 0 1 EKAF in-vivo CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)Cc1ccccc1 26168656 SEDWEXQZFOWMDT-BESBDSHLSA-N 326.524 5.779 0 1 EKAF CC[C@H](/C=C/c1ccccc1CN(C)C)c1ccc(Cl)cc1Cl 28566445 HEKSSMKKBRZAPD-BOLDSZDNSA-N 348.317 6.262 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccns3)cc2)n1 49110112 GRCKAQPBPSKRBX-UHFFFAOYSA-N 339.508 5.297 0 1 EKAF CN1C(c2ccccc2)=Nc2ccccc2C[C@@H]1c1ccc(F)cc1 49616182 FJFBHWSSMKSEGM-OAQYLSRUSA-N 330.406 5.133 0 1 EKAF CCCCOc1ccc(C(=O)c2ccc(OCCCC)cc2)cc1 96915554 YHTBNARIMXSJKH-UHFFFAOYSA-N 326.436 5.275 0 1 EKAF ClC(Cl)=CCn1cc(-c2ocnc2Cl)c2ccccc21 103213654 LMMIRLVIWCMHBC-UHFFFAOYSA-N 327.598 5.269 0 1 EKAF CC1=Nc2ccc(C)cc2S/C1=C(/O)OCCCc1ccccc1 104050642 DFYFPBQFTRIBLV-VXPUYCOJSA-N 339.460 5.570 0 1 EKAF CC(C)=CCC/C(C)=C/COCCNC1C2CC3CC(C2)CC1C3 169347380 FVZPGVBNMYKFPJ-REZTVBANSA-N 331.544 5.110 0 1 EKAF Cc1cc(N2CCC(C)(C)CC2)cc(C)c1NC(=O)CC(C)(C)C 207446445 CXRFIUYVGKYWBD-UHFFFAOYSA-N 330.516 5.305 0 1 EKAF Cc1ccc2c3c(cc(C(F)(F)Cl)nc13)-c1ccccc1C2=O 586994382 ZQCNKPDGEZFYHX-UHFFFAOYSA-N 329.733 5.043 0 1 EKAF CC(C)Oc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023405 KOJGHAJYTCHIDC-UHFFFAOYSA-N 341.461 5.202 0 1 EKAF CSc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024104 OALLNQJQMWBTET-UHFFFAOYSA-N 329.475 5.137 0 1 EKAF Cc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247812 UOTWQIWOCYDYMA-UHFFFAOYSA-N 343.430 5.286 0 1 EKAF CCc1c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc2ccc(C)cc12 587407539 CDUTZMMGPQSHQA-QFIPXVFZSA-N 349.430 5.075 0 1 EKAF CC/C=C/CCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446242 VJXMIPUTRWJESJ-WYIDIVSCSA-N 328.452 5.118 0 1 EKAF O=C1C[C@@H](c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 587502538 CYZMHRWXUUXREZ-KRWDZBQOSA-N 347.241 5.579 0 1 EKAF Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2c(C)cc(Cl)cc12 587623324 FMOTUPYVUUFJCT-UHFFFAOYSA-N 338.665 6.336 0 1 EKAF CCc1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1 587786229 KCYSJHAQIGWZMR-UHFFFAOYSA-N 344.414 5.174 0 1 EKAF CC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C/C=C\CCC(=O)O 27643220 LTERDCBCHFKFRI-FHHKBOEGSA-N 344.495 5.520 0 1 EKAF in-man COc1ccc2c(c1)C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 33814554 GFZLFKCEWJJEFW-SZLKJRAXSA-N 328.496 5.631 0 1 EKAF CCCCOc1ccc2cc(C[C@H](C)NCc3ccccc3)ccc2c1 40847816 YIPJGAAYIMEAQI-IBGZPJMESA-N 347.502 5.740 0 1 EKAF in-vivo C[C@@H](c1ccccc1)N1COc2c(ccc3c2c2ccccc2n3C)C1 49807345 BMIPKDYMNCSPOO-INIZCTEOSA-N 342.442 5.245 0 1 EKAF O=C(c1ccc(OCc2ccc(Oc3cccnc3)cc2)cc1)C1CC1 66259919 RRGUUCHTMOEGRY-UHFFFAOYSA-N 345.398 5.046 0 1 EKAF CC[C@@H]1C[C@H]1C[C@@H]1C[C@H]1C[C@@H]1C[C@H]1CCCCCCCC(=O)OC 70455438 KDWSWRXUIMELKF-OKAKVDCISA-N 334.544 5.989 0 1 EKAF biogenic,in-vitro Cc1ccccc1CNc1cc(Oc2cccc3ccccc23)ncn1 82068418 QDBFTWHWACAQMR-UHFFFAOYSA-N 341.414 5.343 0 1 EKAF CC(C)(C)c1ccc(-c2cc(NCc3ccccc3F)ncn2)cc1 82161153 RNBKYJNKRRIDSG-UHFFFAOYSA-N 335.426 5.192 0 1 EKAF CCOC(=O)/C(=C\Nc1ccccc1Cl)c1ccc(Cl)cc1 102202234 NMOKOCAFGUURBO-KAMYIIQDSA-N 336.218 5.010 0 1 EKAF C(=C/c1n[nH]c2cc(-c3cccc4ccccc34)ccc12)\c1ccccc1 167253358 PAQLJXJSGFNRIZ-DTQAZKPQSA-N 346.433 6.554 0 1 EKAF O=c1ccc([C@H]2CC[C@H]3[C@@H]2CC[C@H]2[C@@H]3CC[C@H]3CCCC[C@H]32)co1 255214464 HAJGVUYNXHQLER-QTAXEDJGSA-N 326.480 5.376 0 1 EKAF CCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1OCCC 587212683 UECZZOKLNSAATO-UHFFFAOYSA-N 347.458 5.578 0 1 EKAF c1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587360626 OTXLYBWBTFCQRP-UHFFFAOYSA-N 340.451 5.223 0 1 EKAF COc1cccc(-c2c(CCSC)cnc3c2oc2ccccc23)c1 587364366 CHZRFZQEUNJDIG-UHFFFAOYSA-N 349.455 5.562 0 1 EKAF C[C@]1(CSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533728 VDAUKUBUQUWIAM-OAQYLSRUSA-N 338.472 5.082 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 587564954 RHYIWWRKBHYZLI-UHFFFAOYSA-N 342.870 5.791 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2c1 587642990 ALPOKMGFAQENEN-KRWDZBQOSA-N 348.490 5.181 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cccc(C(F)(F)F)c3)c2c1 587643843 XJSKILUMTCHPGR-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)c(C)cc3[nH]2)cc1 587937225 ORXOFIFAAYFVSE-QFIPXVFZSA-N 342.442 5.369 0 1 EKAF CCC(CC)(CC)[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962697699 HQZUCBZKPNWCBS-DNVCBOLYSA-N 335.532 5.447 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(C)cc(Cl)cc1-3 13490454 XHBDFVLBWAXHSJ-UHFFFAOYSA-N 325.839 5.815 0 1 EKAF C1=C(c2ccccc2)CCN(CCCCCc2c[nH]c3ccccc23)C1 13728577 RDMGNUHCWDMCMI-UHFFFAOYSA-N 344.502 5.670 0 1 EKAF CN(CC[C@](C)(O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 45358866 ITEHTJWDXLSLGS-DEOSSOPVSA-N 345.486 5.083 0 1 EKAF Cc1ccc([C@@H]2N=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1 84740303 DNXKUOIYYWCCCB-DEOSSOPVSA-N 349.433 6.077 0 1 EKAF Cc1ccc2oc(CSc3nc4ccccc4s3)cc(=O)c2c1 96910573 RBWLMVVGVCAIFY-UHFFFAOYSA-N 339.441 5.003 0 1 EKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(C/C=C/CO)O2 96914574 CEXQXWUJGBLQRC-WPYBIJRNSA-N 332.528 5.416 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@H]4CC[C@@H](C[C@H]3c3ccccc3)S4)on2)cc1 169335216 GGNBFDVFZAGDEV-MOXQZVSFSA-N 347.483 5.877 0 1 EKAF CC(C)=CC[C@@H]1C[C@H](CC=C(C)C)C(C)(C)[C@@H](C(=O)C(C)C)C1=O 209656807 RSIDASPVNMMKMN-QYZOEREBSA-N 332.528 5.772 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(N)c(N)cc2[nH]1 587074483 WAHABHQNZBZGIA-UHFFFAOYSA-N 348.837 5.023 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccccc3Cl)c2c1 587640248 GPFJAYXQRZJOFQ-GFCCVEGCSA-N 325.839 5.874 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3OC(F)F)c(C)c2c1 587643197 SMPPCGXGVBDOOC-LBPRGKRZSA-N 329.390 6.258 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587930331 ODUQIMKGVJLZCH-ZMZPIMSZSA-N 347.245 5.324 0 1 EKAF CC=C(C)C(=O)O[C@@H]1C[C@@H](C(C)C)c2cc(C)c(OC)cc2[C@H]1C 2356389066 FVXRNEBVBKNUDR-GQIGUUNPSA-N 330.468 5.128 0 1 EKAF CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 3849919 WYXLHJNYQBRALN-WBIUVFFSSA-N 344.539 5.907 0 1 EKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)CC 13679531 HOXOFQRJSLAPOO-GKFVBPDJSA-N 331.544 6.268 0 1 EKAF CN(CCc1ccccc1)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26827040 FVMDCJNCPHANNG-ZCYQVOJMSA-N 341.498 5.308 0 1 EKAF CCCCCn1c(C)c(C(=O)Cc2ccccc2OC)c2ccccc21 28463414 HGGHYEFHTTXEIQ-UHFFFAOYSA-N 349.474 5.574 0 1 EKAF in-vivo Oc1ccc(C(=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c2ccc(O)cc2)cc1 100793016 MMDMIFJZBQXIPJ-DBOLQNLKSA-N 332.443 5.356 0 1 EKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 153040443 USBYWNBXXQAKTB-POBGKJHXSA-N 345.571 5.165 0 1 EKAF CC(C)(C)c1ccc(OCCn2c(=S)[nH]c3ccccc32)cc1 205424286 LVRWIVKDOJAPKF-UHFFFAOYSA-N 326.465 5.075 0 1 EKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2Cc2cc3ccccc3n21 238773762 NEPLKJAINOWIJL-YDLSIGKMSA-N 335.491 5.334 0 1 EKAF CC1=CCC(C)(C)C=CC(=O)[C@H](C)[C@H](NCc2ccccc2)CC1 299807063 PTFRTXHGPYVFEA-UYAOXDASSA-N 325.496 5.063 0 1 EKAF CCc1cc(OCc2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1Cl 587052875 QXOMIUADSCOEPP-UHFFFAOYSA-N 343.858 5.050 0 1 EKAF CC(C)C[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587207553 NHJXYYOLUWDYPN-AWEZNQCLSA-N 327.427 5.522 0 1 EKAF O=C(CC(c1ccccc1)c1ccccc1)c1coc2ccccc12 587280684 RQKPFARIWWDSAG-UHFFFAOYSA-N 326.395 5.838 0 1 EKAF Cc1cc(C)cc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587564028 FIGZRUGBDFWHEZ-UHFFFAOYSA-N 344.414 5.551 0 1 EKAF Fc1ccc2c(C3CC3)c(-c3ccc(Br)cc3)[nH]c2c1 587632848 SHTZIOREBRDIJO-UHFFFAOYSA-N 330.200 5.614 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCCCc3ccccc3)c2c1 587641864 ICGRPEQXRZYZMZ-INIZCTEOSA-N 348.490 5.352 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C1 587969391 OPMPSAWQEXKNEX-HZPDHXFCSA-N 348.494 5.324 0 1 EKAF Clc1c(-c2nnc(CNc3ccccc3)o2)sc2ccccc12 1857635118 BEPHJIYRLIECDU-UHFFFAOYSA-N 341.823 5.217 0 1 EKAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4ccoc4cc3OC[C@H]21 5854604 VAVHXRDWDOYXSV-VGSWGCGISA-N 348.398 5.257 0 1 EKAF biogenic,in-vitro CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 28235733 UGTWXEUWFXYRLG-WNBKNDGGSA-N 338.491 6.349 0 1 EKAF CC(C)CCN1Cc2cc(CC(C)C)ccc2N[C@@H](CC(C)C)C1=O 95585243 JLACVYDBSCHWBA-NRFANRHFSA-N 344.543 5.100 0 1 EKAF C[C@@H](N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 169717635 WEDTZSCIIFOFOY-QGZVFWFLSA-N 338.451 5.079 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(F)cc2[nH]1 587015036 WFUQNOWOVHKEMO-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF Clc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2nc1Cl 587023528 LAYNEVLGNKGVOF-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587098907 ZTBZCCOTWNCOEI-UHFFFAOYSA-N 336.332 5.685 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)C[C@@H]4C)-c1ccccc1C2=O 587100012 DAMXGZHSUWQREA-AWEZNQCLSA-N 341.454 5.831 0 1 EKAF CCc1c(-c2cccnc2)nc2cccc3c2c1-c1ccccc1C3=O 587106049 LEZAJCQRISKRTE-UHFFFAOYSA-N 336.394 5.071 0 1 EKAF CC(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206924 PKMWAHPTGZBHPO-UHFFFAOYSA-N 349.389 5.316 0 1 EKAF CC(C)(C)OC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587213458 STKLWXMPOKLEAW-UHFFFAOYSA-N 346.430 5.347 0 1 EKAF CC(C)(C)OC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587214322 XODILXGJXRHIKP-UHFFFAOYSA-N 346.430 5.347 0 1 EKAF O=C(c1sc2cccc(Cl)c2c1Cl)c1coc2ccccc12 587280867 DWMPOVDHVYJQLO-UHFFFAOYSA-N 347.222 6.185 0 1 EKAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12 587633391 CDHRFIVOLUXRLM-UHFFFAOYSA-N 337.263 5.190 0 1 EKAF O=C(c1cc2ccccc2o1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633416 CVSLHIXDRVPWLM-UHFFFAOYSA-N 347.267 5.303 0 1 EKAF Clc1ccc2c(c1)CCN[C@]21Cc2ccccc2Nc2ccccc21 963391280 RVJYBHBPLUXVDD-JOCHJYFZSA-N 346.861 5.029 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)C=CC(=O)OC1 2356443563 PDFUYNQQCGLVBA-JAXLGGSGSA-N 336.560 6.545 0 1 EKAF CC(=C[C@@H]1C[C@H](CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356468024 OIYBDVCLZOMQSJ-VQTJNVASSA-N 342.435 5.096 0 1 EKAF Fc1ccccc1-c1noc2nc(Oc3c(F)cccc3F)ccc12 205218336 NPDIIISKINZTQE-UHFFFAOYSA-N 342.276 5.099 0 3 EKAF CCCc1ccc(NC(=O)c2ccccc2CCc2ccncc2)cc1 27381 XCUUMBWYOUDABQ-UHFFFAOYSA-N 344.458 5.072 0 1 EKAF CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 13494223 CUXRGANZEHBODX-UHFFFAOYSA-N 332.399 5.173 0 1 EKAF in-vivo CC[C@]1(CC(=O)O)CC[C@@H](Cc2ccccc2)c2c1[nH]c1ccccc21 26286478 SXRHRXQIIXSYKA-GAJHUEQPSA-N 347.458 5.411 0 1 EKAF Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1 35157096 TYQUWPQYYIAVMB-UHFFFAOYSA-N 325.843 5.399 0 1 EKAF COc1ccc(/C=C\c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1O 40860701 YZTXSMZTLAYHIX-SREVYHEPSA-N 336.475 5.920 0 1 EKAF CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45335979 OSJFKSZZQVBJRR-UHFFFAOYSA-N 349.478 5.200 0 1 EKAF CC(C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=S)cc1 64559485 FVUGQQJJURXCAY-UHFFFAOYSA-N 331.824 5.090 0 1 EKAF CCCCc1ccc(-c2nc(-c3cc(-c4ccccc4)no3)co2)cc1 72101552 QADNZDNYCDAABQ-UHFFFAOYSA-N 344.414 6.006 0 1 EKAF Cc1ccccc1-c1cccc(NCc2cc(-c3ccccc3)[nH]n2)c1 95559728 MJBXUDSTGIEFCQ-UHFFFAOYSA-N 339.442 5.664 0 1 EKAF CC(C)(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 103258677 PCJDDIHNGFLMPX-LJQANCHMSA-N 339.870 5.208 0 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0 1 EKAF C[C@H]1[C@H](C)CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]12C 263614324 GVFFAMRIFGYUEO-QTXLDLJUSA-N 344.627 7.718 0 1 EKAF in-vitro Cc1ccc2ccccc2c1-c1nc2cccc(Br)c2[nH]1 586883220 JAISYGLOGRVZOW-UHFFFAOYSA-N 337.220 5.454 0 1 EKAF O=C1CCC[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 586887528 UTJNRPWDYXJUNR-AWEZNQCLSA-N 336.460 5.331 0 1 EKAF CCCCC/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099881 WOBKEWXIBPMBKF-JXMROGBWSA-N 341.454 6.348 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)CCC3)c1 587365083 DUVAOGAVXZIRNN-UHFFFAOYSA-N 343.382 5.176 0 1 EKAF CCC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365560 LREMIAFZNWENKI-UHFFFAOYSA-N 345.398 5.178 0 1 EKAF CCc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cc1 587633927 OQDZZXDFIHIZRY-UHFFFAOYSA-N 335.300 5.281 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)cc3Cl)c2c1 587639882 FFZYVYRPXFRXLZ-LLVKDONJSA-N 332.274 6.964 0 1 EKAF CCOc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1C 587778486 NVIMLVNXUYPPKM-UHFFFAOYSA-N 338.304 5.095 0 1 EKAF Fc1ccc(Cl)cc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1 1857751292 QWXUHVLKUXJAFF-UHFFFAOYSA-N 349.796 5.394 0 1 EKAF Cc1cc(Cl)ccc1[C@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 61898391 IMOIDVRWJOZFLM-FQEVSTJZSA-N 348.833 5.273 0 3 EKAF S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCCC2 8880 LFOKDLJVIJPCIT-UHFFFAOYSA-N 327.880 5.962 0 1 EKAF CC(=O)[C@@]1(C)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26260688 UFIQEZHBGZCWRS-PMHZBBCSSA-N 328.496 5.114 0 1 EKAF Cc1nn(-c2cccc(F)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 40957763 QODLEHFRJKWYRL-AWEZNQCLSA-N 346.409 5.041 0 1 EKAF Cc1ccc([C@@H](c2cn(C)c3ccccc23)N(C)c2ccccc2)cc1 71341116 VBNLLIFEKNSRFU-DEOSSOPVSA-N 340.470 5.713 0 1 EKAF C[C@H](N=O)[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261141621 NEBOMMQPPZFFBC-SGGJSAORSA-N 329.484 5.001 0 1 EKAF CC1(C)CC(C(c2ccc(O)cc2)c2ccc(O)cc2)CC(C)(C)C1 473155274 RBGIBYADIDRDRA-UHFFFAOYSA-N 338.491 6.082 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2n1 586899141 USYJFNYEDQMTPL-UHFFFAOYSA-N 343.430 5.295 0 1 EKAF Clc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c2ccccc2n1 587085256 OUHILZNBLKDUIB-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc(NC2(c3nc4ccc(Cl)cc4[nH]3)CCCC2)cc1 587237767 WLCIVBXKGSFJDO-UHFFFAOYSA-N 325.843 5.406 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCCC1)(c1ccccc1)O2 587402254 BADNJAWCURLGSL-QFIPXVFZSA-N 335.447 5.018 0 1 EKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)s1 587633798 MGGWDQCTSRNVRJ-UHFFFAOYSA-N 341.329 5.181 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCCC2)N1 587819282 LPFYDVXFPAPQIQ-DIFFPNOSSA-N 340.280 5.134 0 1 EKAF O=C(O)CCc1cc2cc(-c3cccc(OC4CCC4)c3)ccc2o1 1772642219 AIGFQVBWSVEVLF-UHFFFAOYSA-N 336.387 5.048 0 1 EKAF c1ccc(CNc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772646382 FLMLVHZVFPSIRE-UHFFFAOYSA-N 335.476 5.060 0 1 EKAF CC(/C=C/C=C(/C=C/c1ccc2c(c1)CCCC2)C(C)(C)C)=C\CN 1857552160 JNUMAKAJZJPYQL-GDQUNGLUSA-N 335.535 6.012 0 1 EKAF CCCc1nc2ccc(C)cn2c1Cc1ccccc1C(F)(F)F 72141375 NYGSSIWSNADTEQ-UHFFFAOYSA-N 332.369 5.205 0 3 EKAF CCN(CC)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29485683 CMPKTAXJJJLOGY-QFBILLFUSA-N 334.290 5.912 0 1 EKAF CC(=O)CCCCCCCCCCCCCCCCCC(=O)O 33822338 HFBZWKDJHBQKOO-UHFFFAOYSA-N 326.521 6.292 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 58528913 FSRTVMCHXYGCQF-ZUCBFVJTSA-N 326.480 5.032 0 1 EKAF CN(C(=O)/C=C\Sc1ccc(C(C)(C)C)cc1)c1ccccc1 103244538 FPUVWNNZFABBAT-PFONDFGASA-N 325.477 5.253 0 1 EKAF CCC(=O)C(CCCCCCOc1ccccc1Cl)C(=O)CC 138194624 HJRXOFCIGMKLIJ-UHFFFAOYSA-N 338.875 5.244 0 1 EKAF COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)OC(C)=CC2 238755694 PBTYSRZFJQTSKR-UHFFFAOYSA-N 328.452 5.257 0 1 EKAF COC(=O)CCCC/C=C/C/C=C/CCCCCCCC(=O)OC 238780418 BJEPALDWQRJLJD-DQTVNRMBSA-N 338.488 5.126 0 1 EKAF O=NCc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587190385 NOIBOLLJGYTADY-UHFFFAOYSA-N 339.704 5.169 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C1CCC(CCC)CC1)CC2=O 587481603 MXWKGVDXGGLAMC-NODKNVJMSA-N 330.468 5.285 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(OC(F)(F)F)cc1 587624435 MCPCCQFQNVNKGA-UHFFFAOYSA-N 339.744 6.004 0 1 EKAF Fc1cc2c(Cc3ccccc3)c(C(F)(F)Cl)[nH]c2cc1Cl 587629128 VPHGXLOCELNHSO-UHFFFAOYSA-N 344.163 5.839 0 1 EKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)cc1 587632491 FSYAWKMZYRKDCS-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF CC(C)=CCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812779 KIDZPFQAEFEMME-YVEFUNNKSA-N 340.280 5.084 0 1 EKAF COc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Cl 587958475 FHOWVGZJTBJCLL-UHFFFAOYSA-N 348.833 5.483 0 1 EKAF CCC(C)(C)c1ccc(C[C@@H](C)CN2CC[Si](C)(C)CC2)cc1 653753973 FRIZOFPEBMIJEH-GOSISDBHSA-N 331.620 5.577 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccco3)cc2)N1 962964903 ZBHCKGOUCLJSBG-JTSKRJEESA-N 342.442 5.442 0 1 EKAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2/C1=C\c1ccccc1 1857534038 KGQWUNXPYAOUMD-XDHOZWIPSA-N 346.817 5.576 0 1 EKAF Cc1ccc(C[C@@H]2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1 1857746195 NMEZHTGCEYPXMT-OAQYLSRUSA-N 348.486 5.552 0 1 EKAF Cc1ccc(-c2nc3/c(=N/c4ccc(C(C)C)cc4)[nH]ccc3[nH]2)cc1 74386711 AVKJEFNSJGJZQA-UHFFFAOYSA-N 342.446 5.222 0 3 EKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C)c1C 13742178 BETKRGIALDCGIV-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF CCOc1c(-c2c(C)cc(C)cc2C)oc2ccc(Cl)cc2c1=O 13776571 KQGYIAGWOVTFKI-UHFFFAOYSA-N 342.822 5.437 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@@H]2CC[C@H]1N2C 13862675 RBRMVWHMOIEQRO-IFONEHGPSA-N 349.518 5.509 0 1 EKAF O=C(c1ccccc1)N1C=CC(c2ccccc2)(c2ccccc2)C=C1 26382747 SBFPXGYJPQNNFF-UHFFFAOYSA-N 337.422 5.156 0 1 EKAF Clc1cccc(Oc2cc(NCc3ccccc3Cl)ncn2)c1 34021409 ZPAFOBZRHKXINI-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF CNCCS[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 34175208 YLLOMNULLDISSE-KRWDZBQOSA-N 335.925 5.041 0 1 EKAF CSc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCS3)cc1 40505437 HRQVCNQREHDVQX-UHFFFAOYSA-N 342.464 5.184 0 1 EKAF CCCCCCOc1ccc(C(=O)CCN(C)c2ccccc2)cc1 42989278 BWTXTPWXTBTNHK-UHFFFAOYSA-N 339.479 5.355 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccncc3)cc2)n1 49073045 MWYNMVOIARFUJK-UHFFFAOYSA-N 333.479 5.236 0 1 EKAF CC(C)(C)c1ccc(C(=O)[C@@H](c2ccccc2)c2ccccn2)cc1 169333190 BZOPDTUTPJPDMO-NRFANRHFSA-N 329.443 5.394 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1ccnc2ccccc12 473248558 OQRXURRDDRTHHO-UHFFFAOYSA-N 345.446 5.006 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884243 OZWVITVSDDMFTE-PRTSGDIISA-N 338.348 5.189 0 1 EKAF Clc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586888036 VYOSEANHIMSJLF-SGTLLEGYSA-N 329.230 5.241 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)o1 586902122 AIXROZAXAKQTEW-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(SC)cc4[nH]3)c2)c1 587233643 VCCRGUHZQYQXSY-UHFFFAOYSA-N 345.471 5.661 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 587643310 ZQTZCWSUXRQCPU-GFCCVEGCSA-N 340.854 5.896 0 1 EKAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)CC2 587945501 FTFPVEDHPUQPBF-HNNXBMFYSA-N 334.463 5.142 0 1 EKAF CC(C)(C)c1cccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587970187 ZOCNITSVRCSTSS-PFONDFGASA-N 326.443 6.184 0 1 EKAF CCCCC[C@]1(C(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697796 IAIHRKUSZWPEKJ-UTKZUKDTSA-N 349.559 5.621 0 1 EKAF COc1ccc2c(c1)C1(CCC(C)(c3ccccc3)CC1)N[C@@H]1CC[C@H]21 962990998 CSEAFXYHZULBJY-PZEZIAQESA-N 347.502 5.272 0 1 EKAF CCc1ccccc1NCc1cccc(CNc2ccccc2CC)n1 1772637794 GJQPGDGKYZTFON-UHFFFAOYSA-N 345.490 5.431 0 1 EKAF CC1([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N=N1 1857538835 XFRVTPWXXZOYFP-HSXTZPDUSA-N 328.500 5.108 0 1 EKAF Cn1ccc2c(-c3cccc4ccccc34)cc3c(c21)[C@H]1CC[C@H]3O1 102884430 GLZODCOHLUSPJL-NHCUHLMSSA-N 325.411 5.905 0 3 EKAF Clc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 3832058 FPCNIXTXTWQKQO-UHFFFAOYSA-N 330.818 6.064 0 1 EKAF CC1=C(c2ccc(C)cc2)NC(=S)[C@H](C)C(c2ccc(C)cc2)=N1 5110448 DPBJTXPZRKQNTD-OAHLLOKOSA-N 334.488 5.048 0 1 EKAF O=C(O)CCCCCCc1ccc(CCCc2ccccc2)s1 13726534 IYZPDXXSVHOLTH-UHFFFAOYSA-N 330.493 5.501 0 1 EKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)CCc1ccccc1 26168664 NTSUNNYXAZHHLL-HOUBMWHVSA-N 340.551 6.169 0 1 EKAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(C(C)C)cc3)nc2c1C 28603977 HLCIVFWKMWVZAP-UHFFFAOYSA-N 335.403 5.046 0 1 EKAF COC(=O)Nc1ccc(Cl)c(-c2nc3c(C)cccc3s2)c1 29233591 VCWBBBPRGMMWKR-UHFFFAOYSA-N 332.812 5.103 0 1 EKAF COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1CCC(C)C 64549425 FLRCRYTZOXIUMO-UHFFFAOYSA-N 340.394 5.196 0 1 EKAF COc1ccc2c(c1)CCC[C@H]2CCCCN1[C@@H](C)CCC[C@H]1C 95602616 FMDPCZTUIANEMU-CEXWTWQISA-N 329.528 5.548 0 1 EKAF Cc1ccc(-c2cnc(C3(NCC4CCCCC4)CCCC3)[nH]2)cc1 473088066 HVFARNUHQAWEEP-UHFFFAOYSA-N 337.511 5.324 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C)c(Cl)cc2[nH]1 587061763 JVIQIZRGZLBMEZ-HNNXBMFYSA-N 335.234 5.708 0 1 EKAF Cc1cc(C)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 587066794 RPMNSHRIWDSUEF-UHFFFAOYSA-N 335.838 5.599 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H]1[C@H]3CC[C@@H](C3)[C@H]41)-c1ccccc1C2=O 587100584 LLUHGCXYQLNLJS-LUVWLHFXSA-N 337.422 5.365 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2n1 587110338 ZUVUCLRNFTYCBS-UHFFFAOYSA-N 337.320 5.080 0 1 EKAF CCCCCCc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278109 GUXHRUYKHWMCKT-UHFFFAOYSA-N 340.850 6.440 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(Cl)c1)CC2=O 587461989 MFVMLUFVHBCUGW-FQEVSTJZSA-N 344.838 5.269 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)CC1CCCCC1)CC2=O 587491662 YCHFYYSHQXJFPT-VLIAUNLRSA-N 330.468 5.285 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc3sccc3s1)CC2=O 587493217 CMLZLFGCYFKNAF-AWEZNQCLSA-N 344.457 5.327 0 1 EKAF CC(C)C1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587520820 AYEYRFIYEOYONP-AEJJIKPWSA-N 326.480 5.362 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1Br 587628629 OZLHCIOXHREFHS-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C(C)C)cc3)c2c1 587641413 FSSIFHIAQWMDBJ-HNNXBMFYSA-N 348.490 6.366 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 587780622 WCJGVGKCXCAIAK-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(c3ccncc3)=NO2)cc1 1857633701 BTRSFDUKQOXYBM-FQEVSTJZSA-N 339.398 5.096 0 1 EKAF Cc1c(O)cccc1C(=O)c1ccc(-c2ccc(O)c(Cl)c2)s1 1857655113 BCLXCROMKQJJKB-UHFFFAOYSA-N 344.819 5.019 0 1 EKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)CCc1ccoc1 2356586157 NUSPBUAVDKDEAT-SCWSEQNSSA-N 332.484 5.554 0 1 EKAF Clc1ccc(-c2nnc(NC34CC5CC(CC(C5)C3)C4)s2)cc1 5770143 ONCQZQVZSXEDPY-UHFFFAOYSA-N 345.899 5.239 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 8536527 BYRKVDOSQUAVAB-UHFFFAOYSA-N 349.796 5.598 0 1 EKAF CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1 13492384 LOSAKSLRALRQMY-UHFFFAOYSA-N 344.454 6.247 0 1 EKAF in-vivo O=C1c2ccccc2CCC[C@H]1CC1CCN(Cc2ccccc2)CC1 13744602 SKJAMKPPTBWOCF-QFIPXVFZSA-N 347.502 5.124 0 1 EKAF CC[C@]1(c2ccccc2)OC2(CCC(N(C)C)CC2)c2ccccc21 27717890 MTCHPITZLFZUPM-ZUEZHPSSSA-N 335.491 5.070 0 1 EKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCF)cc1OC2(C)C 27751084 YMYYGMHEAJZHFP-RYECEPHISA-N 344.470 5.852 0 1 EKAF CCCCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C=O)c2c1 28651225 IXPSUNCRNLVCKF-UHFFFAOYSA-N 335.447 5.779 0 1 EKAF CCCC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 36289260 UYOQAIUOBLCZNG-HTRAFQIUSA-N 342.523 5.504 0 1 EKAF CC(=O)O[C@@H]1C=C(C(C)C)[C@H]2[C@@H]3CCC(C)=CC[C@@]3(C)CC[C@@]12C 40918001 BZRWHZYLKCIJQL-WIYBCGNWSA-N 330.512 5.683 0 1 EKAF O=C(O)/C=C(\CCc1ccc(-c2ccccc2)cc1)c1ccccc1 43013099 WBUXETFRABRGME-OQKWZONESA-N 328.411 5.454 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCc1ccccc1 49070198 RNSHNAPUHKCKPJ-BAGYTPMASA-N 343.555 5.757 0 1 EKAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)C(=O)CC 59903132 FHERSMHWJQVOBK-ROUUACIJSA-N 342.520 5.118 0 1 EKAF CCc1ccc(NC2=NN=Cc3cc4cccc(C)c4nc3S2)cc1 98083875 CHLYSOVFOIOJBR-UHFFFAOYSA-N 346.459 5.013 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 238748667 AJKLRWLLBORSIX-QMHYXHOOSA-N 344.495 5.341 0 1 EKAF CCC[C@]1([C@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587815070 XUTGALMOHHEENX-PSTGCABASA-N 342.296 5.164 0 1 EKAF Fc1cccc2c1[C@]1(CCCC[C@@H]1c1ccccc1)N1CCC[C@H]1C2 963102246 KONVMKAEABHFFE-MIZPHKNDSA-N 335.466 5.399 0 1 EKAF CC(C)(C)c1ccc2occ(-c3ccc(Br)cc3)c2c1 1857597368 DQTWPQXMEJINAZ-UHFFFAOYSA-N 329.237 6.160 0 1 EKAF COc1ccc([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)cc1 1857647193 MKXKDMNFPVJSFE-DDPFVEHASA-N 340.463 5.692 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@H]2C1(C)C 2356467168 FVVNLEXAZHEDCJ-XAPVIXHLSA-N 348.527 5.046 0 1 EKAF Cc1ccc(-c2n/c(=N/c3ccccc3)sn2-c2ccccc2)cc1 2666121 ABAQLLBBDUFNCN-DQRAZIAOSA-N 343.455 5.142 0 1 EKAF CNCC[C@H](Oc1cccc2ccccc12)c1ccc(Cl)cc1 13588071 IDWDPGNSPWMIDM-IBGZPJMESA-N 325.839 5.223 0 1 EKAF CC[C@@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 13680026 ZZXFVSNDCYCIHM-SECBINFHSA-N 333.840 5.129 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@@H](C)O)C[C@H]21 27632036 NLCXTZGJXGMFME-FHLIZLRMSA-N 344.495 5.097 0 1 EKAF O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CCCCC2)cc1 29051512 SWEAAERORIFOIX-UHFFFAOYSA-N 345.446 5.232 0 1 EKAF in-vivo Nc1nccc2ccc(-c3ccc(OCc4ccccc4)cc3)cc12 45191017 HLJGWRAUYCVLBB-UHFFFAOYSA-N 326.399 5.063 0 1 EKAF Cc1cc2c(cc1Cc1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C 45315682 JRIDDIDLBHUHMX-UHFFFAOYSA-N 336.475 5.633 0 1 EKAF CC(C)(C)c1ccc(SC[C@@H](c2ccncc2)c2c[nH]cn2)cc1 64573955 YQIPYEQUGQGKAM-SFHVURJKSA-N 337.492 5.026 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 84742090 BZBMRBZWKDGVMC-UHFFFAOYSA-N 329.443 6.038 0 1 EKAF CCCCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21 96922762 RQIUIWAQUPGBFD-UHFFFAOYSA-N 343.494 5.711 0 1 EKAF O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633543 GENVZRSUSRXVGG-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncn3)c2c1 587640500 FBZFBIONFNHGMA-AWEZNQCLSA-N 345.421 5.945 0 1 EKAF Cc1ccc2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc2c1C 587876344 NTVGVVGFAXIIAQ-UHFFFAOYSA-N 337.379 5.011 0 1 EKAF Clc1cccc(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)c1 587920907 QYRRFCKEOZHRMT-UHFFFAOYSA-N 329.896 5.931 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1 587959915 SIIOULUWQFBSLG-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C1 587968867 GVJYYFVTKQUFRP-NXEZZACHSA-N 328.353 5.651 0 1 EKAF CC(C)(C)c1cccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c12 587970499 IOJHDYVPASMFNM-UHFFFAOYSA-N 346.474 5.290 0 1 EKAF CCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772588370 JPPMVGCIZYZSHE-UHFFFAOYSA-N 337.854 5.676 0 1 EKAF Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F 1772635564 FTAMQRGBRGAAAR-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF CCCCCC=CCC=CC=C[C@@H](O)CC=CCCCC(=O)OCC 2356381594 SAMZIIYZCOLQTD-OAQYLSRUSA-N 348.527 5.666 0 1 EKAF CC(=CCCc1ccoc1)C[C@H]1C=C(CC=Cc2ccoc2)C(=O)O1 2356592961 RSURXMFKHSIZSB-FQEVSTJZSA-N 338.403 5.097 0 1 EKAF C[C@@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]1[C@@H]1CCCCC1=C1CCCC[C@@H]12 4005704 MULDAFDMOJEJEP-FLQYYVGBSA-N 336.475 5.382 0 1 EKAF Cc1ccc(C)c2sc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12 13809534 OOLCOBBOASRAGL-UHFFFAOYSA-N 347.439 5.878 0 1 EKAF CCCC[P@@](=O)(OCC)OCc1ccccc1Oc1ccccc1 28643916 ZJDHCXPMUVBUIV-XMMPIXPASA-N 348.379 6.025 0 1 EKAF CC1(C)CCCN(CCCCn2c3ccccc3c3ccccc32)C1 28711334 HGABGOWOFXBDAL-UHFFFAOYSA-N 334.507 5.697 0 1 EKAF Cc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1[C@H](C)O 84634188 RUVLIPXHIOLFFG-ZDUSSCGKSA-N 326.421 5.041 0 1 EKAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCCCC1 100991839 NTMJGBPXLHDTGK-UHFFFAOYSA-N 329.444 5.071 0 1 EKAF CCCCC[C@@H](O)/C=C\CCCCCCCc1cc(O)cc(O)c1 238752033 JAIDXIXLHIPVKV-KWRJMZDGSA-N 334.500 5.478 0 1 EKAF Clc1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 587025360 IUQFRAYYOLCCGM-OWOJBTEDSA-N 339.645 5.211 0 1 EKAF Cc1cc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587041310 BDXLKXOJKKMXRR-CQSZACIVSA-N 345.265 5.023 0 1 EKAF Clc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052275 ZMFZNRUKHNTOII-VHSXEESVSA-N 337.637 5.794 0 1 EKAF CC(C)(C)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207491 LQNSUHUVZLTIQG-SFHVURJKSA-N 341.454 5.912 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1ccn3CC)CC2=O 587476139 POKVOSKNUYVBON-OAQYLSRUSA-N 349.430 5.026 0 1 EKAF Cc1ccc([C@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524189 KYINTOWRWXMHMJ-XMMPIXPASA-N 346.470 5.535 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccncc2)cc1 587625686 KGBMAPPPYATKEO-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 587782249 KEXSEIFREGYJNR-UHFFFAOYSA-N 344.414 5.131 0 1 EKAF c1ccc(C[C@@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)cc1 587955813 PTHWBFANJKMBDP-FQEVSTJZSA-N 349.437 5.486 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(F)cc(Br)c2[nH]1 587968773 TZUOPKDZTPLFKR-YRNVUSSQSA-N 337.236 5.614 0 1 EKAF CC/C(=C\c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 587968947 XAWAXDKYYQGSHL-ACCUITESSA-N 346.352 5.721 0 1 EKAF O=C(O)[C@H](CC=CCCCCCCCC[C@H]1C=CCC1)CCCO 2356776582 YEAXILKLGNDILA-VQTJNVASSA-N 336.516 5.493 0 1 EKAF CC1(C)OC[C@@](C)(c2cccc(OCc3ccc4ccccc4c3)c2)O1 12318 AIRZHPDCMTXKGD-QHCPKHFHSA-N 348.442 5.417 0 1 EKAF c1ccc2c(c1)Oc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12 5390480 YJQMMTUJLDBDEQ-ZWKOTPCHSA-N 334.463 5.195 0 1 EKAF Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](C)c3ccccc3)c2c1C 13756606 UEHRRIBODAEUFE-MRXNPFEDSA-N 342.446 5.415 0 1 EKAF CCCOc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796331 BUJXQQWRTSOLOU-UHFFFAOYSA-N 348.512 5.295 0 1 EKAF CC1(C)CCc2cc3c(C(F)(F)F)cc(C(F)(F)F)nc3cc2N1 27417681 TYYOBUBDDDDKPC-UHFFFAOYSA-N 348.290 5.409 0 1 EKAF Cc1ccc2c(c1C)CN(CCc1ccccc1)C[C@H]2c1ccccc1 40556717 AQIANVVPEXKNAN-VWLOTQADSA-N 341.498 5.494 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c12 586897020 VJYKIYLZSMUZLV-UHFFFAOYSA-N 342.870 6.144 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)o1 586903342 OPMMCUNBXHLJHA-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc3ccccc3cc2[nH]1 587027813 HOORNKFYRIYSPD-UHFFFAOYSA-N 330.416 5.143 0 1 EKAF COc1cccc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(Cl)c2)c1 587052246 LVPBWVBPNFBDDI-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064694 NCLWCGAHQZWAOB-UHFFFAOYSA-N 342.757 5.194 0 1 EKAF CSC(=Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)SC 587209117 JWJVZAOGSMOWQG-UHFFFAOYSA-N 349.480 5.471 0 1 EKAF CC[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366767 MRTXHEONFHINGV-CYBMUJFWSA-N 329.399 5.706 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Cn2ccnc2)cc1 587632304 TUNUHTJXGDGGTF-UHFFFAOYSA-N 339.801 5.181 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)OC)c2c1 587640944 HICYHCHSBYVPEV-CYBMUJFWSA-N 339.410 5.203 0 1 EKAF CCOc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1C 587779240 ZLRLCMQWJRQGCI-UHFFFAOYSA-N 338.304 5.095 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C)c(C)c3[nH]2)cc1 587938313 UTKQWBZQPYNKJI-OAQYLSRUSA-N 342.442 5.369 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587951622 HWHDEQCRMDSNDK-SUNKGSAMSA-N 341.377 5.023 0 1 EKAF Oc1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)cc1 1772652938 IIGAKPDWFHPEGH-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF CCOC(=O)c1c(-c2ccccc2C)[nH]c2c1cc(O)c1ccccc12 1857770794 GPALORVAXDXFEO-UHFFFAOYSA-N 345.398 5.179 0 1 EKAF CCCCCC=CCC=CCC=CC=C[C@H](O)CCCC(=O)OCC 2356675286 OWKGEPMKWDOLFO-NRFANRHFSA-N 348.527 5.666 0 1 EKAF Cc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5892472 NXUQYLPIGHJEMX-OAQYLSRUSA-N 347.849 5.478 0 1 EKAF CCCC(=O)c1cnc2c([C@@H](C)O)cccc2c1Nc1ccccc1C 13742260 DQMLQJOKAZPMAZ-OAHLLOKOSA-N 348.446 5.323 0 1 EKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1[C@@H](C=O)CCCC1(C)C)C=C2 14708664 RYZMGEFOONHXDL-NRJQMVOHSA-N 342.479 5.287 0 1 EKAF biogenic Cc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1 29126199 TVDGQKBHLVGURJ-UHFFFAOYSA-N 342.826 5.193 0 1 EKAF CCC(=O)C(CC1CCC(Cc2ccc(OC)cc2)CC1)C(=O)CC 33494097 RMNHONIXKGCWHM-UHFFFAOYSA-N 344.495 5.009 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1 586881687 YVHSBKPKODQINQ-UHFFFAOYSA-N 346.817 5.753 0 1 EKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023636 NOPPAOQGSGZFFC-UHFFFAOYSA-N 331.853 5.377 0 1 EKAF Fc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1Cl 587025070 FQAABSPRERTVEM-UHFFFAOYSA-N 328.799 5.751 0 1 EKAF CCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099957 BINHFQHJHLXEPT-UHFFFAOYSA-N 329.443 5.877 0 1 EKAF CC[C@H]1CC[C@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100332 GMNVGAKPCFOOBM-ZFWWWQNUSA-N 341.454 6.146 0 1 EKAF Cc1ccc2c(c1C)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587208262 UKCQICGOTZIHFF-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF CCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357168 TXRIPSNSERAJEA-CTNGQTDRSA-N 342.410 5.229 0 1 EKAF CCC(C)(C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366735 YYTWVBZYMDILPD-UHFFFAOYSA-N 345.442 6.344 0 1 EKAF O=C1C[C@H](c2ccccc2-n2cccc2)Oc2c1ccc1c2CCCC1 587513493 APFSXEQNPMZFMJ-JOCHJYFZSA-N 343.426 5.063 0 1 EKAF CC[C@@H]1S[C@H](C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C 587537472 FTJWQMKBVIIUGT-PKOZFGMGSA-N 344.520 5.210 0 1 EKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2Sc2nncs2)cc1 587634796 RIPWUHUMNVSTKY-UHFFFAOYSA-N 345.399 5.116 0 1 EKAF CCn1ccc2cccc([C@H](c3cccc(Cl)c3)n3ccnc3)c21 13489553 FKDDOJKQFYUBTI-FQEVSTJZSA-N 335.838 5.149 0 1 EKAF CCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 13835097 NJDBQBGRUVDBND-UHFFFAOYSA-N 342.870 5.145 0 1 EKAF Cc1nn(-c2cccc(Cl)c2)c2c1c(Cl)nc1ccccc12 26746541 NCTJMZIIPOQFGD-UHFFFAOYSA-N 328.202 5.189 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/[C@](C)(O)c1ccc(C(F)(F)F)cc1 49053611 RPVCQZSJQDWNFE-KICKTSRDSA-N 338.413 5.852 0 1 EKAF CC[C@H](NC(=O)[C@@]1(CC)[C@H](C)C1(Cl)Cl)c1ccc(Cl)cc1 103295441 UHFUKYDZWOAKDT-VZJVUDMVSA-N 348.701 5.127 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(Cl)c2)[C@@H](c2ccc(O)cc2)C1 299832075 RIAXPOVTXFEXGN-QGZVFWFLSA-N 346.833 5.538 0 1 EKAF CC(C)(C)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037169 SVKHFUOXBZOKLK-MRXNPFEDSA-N 328.506 5.301 0 1 EKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccccc4[nH]3)c2)cc1 587067814 QPGUEUOXZFGIPK-UHFFFAOYSA-N 334.806 5.043 0 1 EKAF CCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099919 XREUJWPVASBGMD-UHFFFAOYSA-N 329.443 5.796 0 1 EKAF O=C(c1cccc(Cl)c1Cl)c1coc2ccc(Cl)cc12 587279203 YEQUBLTUUYWALU-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF CC(C)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524498 NUKCANLUTUXSQE-QHCPKHFHSA-N 334.459 5.472 0 1 EKAF CCOc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)ccc1C 587778729 RDSREBATQBPYQY-UHFFFAOYSA-N 345.240 5.008 0 1 EKAF Fc1cccc2c1[C@]1(CCCC[C@H]1c1ccccc1)N1CCC[C@H]1C2 963102248 KONVMKAEABHFFE-SXWKCWPCSA-N 335.466 5.399 0 1 EKAF c1ccc([C@@H]2C[C@H](c3c[nH]c4ccccc34)N(c3ccccc3)O2)cc1 1857771535 SZMXYCAWOBPLDX-PKTZIBPZSA-N 340.426 5.792 0 1 EKAF C=C(O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@@]2(C)[C@H]1C)C(C)=CC 2356451349 CKHQIEOHUNQMAA-VEPVOHMBSA-N 330.468 5.095 0 1 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]23Oc2cc(Cl)c(O)cc2C[C@@]13C 2356857501 SJGGZNSVPHOEPD-MFILLYDJSA-N 348.914 5.982 0 1 EKAF Cc1cc(C)c([C@@H](OCCCNC(C)C)c2ccccc2)c(C)c1 7078327 RUWJWJOWWHKQPF-QFIPXVFZSA-N 325.496 5.106 0 3 EKAF ClC(Cl)=C(Cl)[C@@]1(Cl)C[C@H]1COCc1ccccc1 1629094 WLHDJGPWRKGCGB-GXFFZTMASA-N 326.050 5.086 0 1 EKAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=CC[C@@H]2C 13300552 ITGQMLUIQUJILK-TZQNSNDFSA-N 340.419 5.280 0 1 EKAF COc1cc2oc3c(C)ccc(-c4ccc(C)cc4O)c3c2cc1OC 13382585 GFPWLVMNIMBPFW-UHFFFAOYSA-N 348.398 5.593 0 1 EKAF biogenic CC(C)(C)N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835789 IAXQDXIYZZJWKO-MAUKXSAKSA-N 334.290 5.958 0 1 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccsc3)[C@@H]12 18011160 JDQTXMIXVPJBIO-XLIONFOSSA-N 347.464 5.528 0 1 EKAF Cc1ccc(-c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2)cc1 29061104 MJKDRJABBJYCNP-UHFFFAOYSA-N 345.225 6.467 0 1 EKAF in-vivo CCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 29128686 BWPKINNPUOLZRV-UHFFFAOYSA-N 326.484 5.390 0 1 EKAF CC1(C)[C@@H]2CC[C@@]1(C)C(=C(c1ccc(O)cc1)c1ccc(O)cc1)C2 29391128 XLXBFPDBOJGPBC-HXOBKFHXSA-N 334.459 5.746 0 1 EKAF C[C@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)C1CCCCC1 29558730 BQCAAQLKCYQZTH-MZKRTTBSSA-N 343.555 5.498 0 1 EKAF Clc1ccc(C2=NO[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 84730920 OLMNZEQYCBYXED-QGZVFWFLSA-N 343.213 5.407 0 1 EKAF CC(=O)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C[C@@]2(C(C)C)CC[C@]1(C)O2 100060727 HVBACKJYWZTKCA-KLEROHFFSA-N 348.527 5.739 0 1 EKAF in-vitro Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1 100772921 VAFPWCIGDGFJNB-YGKZAACZSA-N 349.474 5.435 0 1 EKAF endogenous,in-man CCCCCCc1cc2ccccc2n1C(=O)CC(C)(C)CC(=O)O 103270837 XKHYPQSHHZQKBQ-UHFFFAOYSA-N 343.467 5.295 0 1 EKAF Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167765981 JAIHSALWGNRKGR-UHFFFAOYSA-N 334.400 5.200 0 1 EKAF CCCCSc1ccccc1[C@@H]1N=C(SC)Nc2coc(O)c21 169714000 GVIUOZODDALJGA-HNNXBMFYSA-N 348.493 5.111 0 1 EKAF C[C@H](CC(C)(C)C)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991172 LINXCAAIKNPECJ-CYBMUJFWSA-N 345.442 5.692 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)s1 587014906 TXKMRZUTQGKGKA-LBPRGKRZSA-N 343.496 5.390 0 1 EKAF CCc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051006 RHMWKSFPXXHCFC-NEPJUHHUSA-N 331.246 5.703 0 1 EKAF O=C1C[C@@]2(CCC[C@@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587509840 XELGQMYIBFNOPW-ACJLOTCBSA-N 338.369 5.022 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccccc3)[nH]c12 587623911 AGGZJYJTXXCTBT-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c1 587631252 JPHMYOIMZPBTEP-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NC3CCCCCC3)c2c1 587642348 LKKKBYLPWRHVAU-AWEZNQCLSA-N 326.484 5.442 0 1 EKAF COc1cc(C2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)ccc1C 587925048 JJQAQUYVNFFHKC-UHFFFAOYSA-N 347.245 5.267 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)c(F)cc3[nH]2)cc1 587934690 DVMUYAUFEFEVCK-OAQYLSRUSA-N 346.405 5.199 0 1 EKAF CC[C@@H]1C[C@H](C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962712489 UTZFROIEXRBFRX-JXXFODFXSA-N 329.509 5.441 0 1 EKAF C/C=C/c1ccc(Oc2cc(/C=C/C)cc(OC)c2O)c(OC)c1 1857547612 QBJIHFVYMJWXAJ-KQQUZDAGSA-N 326.392 5.268 0 1 EKAF CCCCO[C@H]1CCCc2nc(Nc3ccc(Cl)cc3)sc21 1857649432 UTOPUQSHIOYYAO-HNNXBMFYSA-N 336.888 5.734 0 1 EKAF CCCC=CCCCCCCCCC=CC=CC(=O)N1CCCCC1 2356529648 OJUNWNTXRINVLQ-UHFFFAOYSA-N 345.571 6.588 0 1 EKAF COc1cccc([C@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)c1 61926590 NRUQCTYRYAKZML-IBGZPJMESA-N 339.460 5.024 0 3 EKAF CCCc1c(-c2ccc(Cl)cc2)ncn1Cc1ccccc1OC 95565989 RDKHSGRNWREBAU-UHFFFAOYSA-N 340.854 5.213 0 3 EKAF COc1ccc(-c2ccccc2)cc1NCC1=CC[C@H]2C[C@@H]1C2(C)C 1229386 IETGDPRNMCMQRR-PMACEKPBSA-N 333.475 5.767 0 1 EKAF C1=C(c2ccccc2)CC[C@@H](CN2CC=C(c3ccccc3)CC2)C1 13738834 VFSHTRBJQOOJNL-FQEVSTJZSA-N 329.487 5.659 0 1 EKAF CC(C)(C)N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835800 IAXQDXIYZZJWKO-YJBOKZPZSA-N 334.290 5.958 0 1 EKAF CCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1 28571872 ROYGHGYSWUNXSM-WOJBJXKFSA-N 348.486 6.233 0 1 EKAF CCc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CC)c2)ccc1O 40466757 AZJUBZWEJLKTRH-WOJBJXKFSA-N 326.480 5.910 0 1 EKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(C)cc1 45260680 DAJAEXQCBHJVAT-UHFFFAOYSA-N 335.447 5.122 0 1 EKAF COc1ccc2cc(/C(C)=C/CN(C)Cc3ccccc3)ccc2c1 45358868 SRRKCCOPYLAHAA-QGOAFFKASA-N 331.459 5.384 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(Cl)c(Cl)c2)n1 72186541 IXGYRNWLRLWQQQ-LBPRGKRZSA-N 341.282 5.707 0 1 EKAF CN(CCc1ccccc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1 102903356 LQWDBDLQDUIHEI-QZTJIDSGSA-N 330.475 5.222 0 1 EKAF COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1 169352367 KIBYOEHXJOJYGK-UHFFFAOYSA-N 347.505 5.185 0 1 EKAF Cc1c(F)ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050583 PVQXORPVAMSYBK-ZJUUUORDSA-N 335.209 5.588 0 1 EKAF Cc1cncc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587051231 ZKZQMLZIGMRREB-UHFFFAOYSA-N 347.805 5.066 0 1 EKAF Fc1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1Cl 587086189 WOQMOFDQOPFIID-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095476 GDCUSYRSYVPABQ-UHFFFAOYSA-N 346.139 5.138 0 1 EKAF Cc1cnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587126304 XBWRTEKVDNGFIQ-QPJJXVBHSA-N 335.354 5.049 0 1 EKAF CSc1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c1 587237300 RDXMBIAYINPVJI-UHFFFAOYSA-N 337.492 5.475 0 1 EKAF CC[C@@H](C)c1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403129 JZCYSMSBUTWQIS-QRQCRPRQSA-N 337.463 5.361 0 1 EKAF COc1cccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587532277 KPVKRKBABFWCMY-FQEVSTJZSA-N 348.398 5.027 0 1 EKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)cc1 587631250 YRLGUCMISFJLDS-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)OC)c2c1 587640193 FZANPOUZEMBXDW-GFCCVEGCSA-N 341.838 5.788 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 587643313 ZQTZCWSUXRQCPU-LBPRGKRZSA-N 340.854 5.896 0 1 EKAF CCC[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814984 XIBJHAVOFIJJJH-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF CCCCC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356519331 WSNNRICCQOXNBM-NLTCRUIOSA-N 334.544 5.065 0 1 EKAF CCCCCC=CC[C@@H](O)C=CC=CCC=CCCCC(=O)OCC 2356678923 YCIKGMHBYGTPMB-OAQYLSRUSA-N 348.527 5.666 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(F)c1 198627085 MNLQQNRPSOFDHP-UHFFFAOYSA-N 338.426 5.089 0 3 EKAF C/C(=C\[C@H]1C/C(=C/CCc2ccoc2)C(=O)O1)CCCc1ccoc1 5409648 YHLJEGITRQRPJZ-VILRQTIKSA-N 340.419 5.016 0 1 EKAF CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccccc1 13558573 SCUXBCYEQYOSDC-UHFFFAOYSA-N 340.422 6.549 0 1 EKAF COc1cc(C)c(CC[C@@]2(C)C=Cc3cc(O)ccc3O2)c(C)c1C 14636903 HZEPJOVNVFPOGE-JOCHJYFZSA-N 338.447 5.123 0 1 EKAF biogenic c1ccc(CCCCN2[C@H]3CCC[C@@H]2Cc2[nH]c4ccccc4c23)cc1 29251246 OPUKVGUEIVRYRA-XXBNENTESA-N 344.502 5.643 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3O)cc2)n1 49067808 TXDPUIMKHKWTSS-UHFFFAOYSA-N 348.490 5.546 0 1 EKAF COc1ccc(Cl)cc1-c1nc2ccc(C(F)(F)F)cc2o1 84731532 GKAMDVQJYLWUTE-UHFFFAOYSA-N 327.689 5.176 0 1 EKAF CC(C)Oc1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586897119 RGZWDFYGFXBIAB-UHFFFAOYSA-N 344.414 5.390 0 1 EKAF CCC[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990610 MEXVHWPPKSHVBF-CYBMUJFWSA-N 343.426 5.057 0 1 EKAF Cc1nc2cccc3c2c(c1CCC(F)(F)F)-c1ccccc1C3=O 587103554 JHACRYHCJHNKLP-UHFFFAOYSA-N 341.332 5.250 0 1 EKAF Cc1ccc2c(ccc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c32)n1 587109734 MQTGHUSOUZCPEZ-UHFFFAOYSA-N 345.299 5.244 0 1 EKAF Cc1ccc2c(c1)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587206078 AHOAOBGYXAWBGL-UHFFFAOYSA-N 333.390 5.326 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccco3)c2c1 587644147 ODCZHRUMXNJXEE-CQSZACIVSA-N 344.414 5.567 0 1 EKAF CCc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949629 JGTSGSQKNISZBM-FYWRMAATSA-N 340.426 6.088 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963107136 NWTIVEXJXOJXHY-ZHRRBRCNSA-N 334.438 5.034 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCN2CCCCCC2)cc1 1857538666 AYKJGACMCQMMAW-UHFFFAOYSA-N 345.571 6.189 0 1 EKAF Oc1cccc2c1-c1nc(-c3ccccc3)cc(-c3ccccc3)c1C2 1857566883 MRBMYBPMAVYILS-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF Cc1nc(CCCCCCCc2ccccc2)n2nc(Cl)ccc12 5891761 UJFJCVRFWFUVBF-UHFFFAOYSA-N 341.886 5.427 0 1 EKAF Fc1ccc(N2C[C@H](CCCc3ccccc3)[C@H]2c2ccccc2)cc1 28527758 RUXMLHRTQHYPEV-XUZZJYLKSA-N 345.461 6.026 0 1 EKAF CC1(C)OC(=O)Nc2ccc(Nc3cccc(Cl)c3Cl)cc21 28878554 PDFREMUTAXNRJN-UHFFFAOYSA-N 337.206 5.534 0 1 EKAF CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 34077335 JPXCIPNJJMSYDI-UHFFFAOYSA-N 335.259 5.772 0 1 EKAF CC1(C)C(C(=O)c2cn(CCc3cccnc3)c3ccccc23)C1(C)C 45300696 VWRXGNJCEZNZLF-UHFFFAOYSA-N 346.474 5.144 0 1 EKAF c1ccc(C(CCn2ccnc2)(c2ccccc2)c2ccccc2)cc1 66112095 NBQMJFGUCMTAAH-UHFFFAOYSA-N 338.454 5.308 0 1 EKAF COc1cc2c(cc1[C@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2 169326232 ZWPBDGYOXWSANE-INIZCTEOSA-N 337.463 5.072 0 1 EKAF COc1cccc(-c2sc3ccccc3c2-c2ccc(O)cc2)c1 261130731 LCOHPDGZFCRYFL-UHFFFAOYSA-N 332.424 5.950 0 1 EKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(O)c3)n2)cc1 473135132 LRFQFLADXMSYJW-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF CC(=O)c1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2c1 587012872 MMMBKMHLMSFSGG-UHFFFAOYSA-N 347.443 5.173 0 1 EKAF Fc1cc(F)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587055781 XNSCKWUQLYLIIP-PLNGDYQASA-N 325.145 5.318 0 1 EKAF Cc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Cl 587135369 YIPJMSWISFAOCM-UHFFFAOYSA-N 346.736 5.037 0 1 EKAF Cc1ccc(NC2(c3nc4cc(F)cc(F)c4[nH]3)CCCC2)cc1 587237564 UCZASELFQGZUBJ-UHFFFAOYSA-N 327.378 5.031 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)oc3ccccc13)CC2=O 587481099 MJIXWJJNXORHRB-LJQANCHMSA-N 336.387 5.106 0 1 EKAF CCc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631809 VNAUXALFLOWDBP-UHFFFAOYSA-N 330.790 5.084 0 1 EKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1 587633818 NFHBOYAVDOKUOK-UHFFFAOYSA-N 335.300 5.119 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC1CCCCC1 587870833 SWNFZXHHUSHYRU-UHFFFAOYSA-N 344.430 5.089 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(F)c(C)c3[nH]2)cc1 587958908 HKOPEKVNKNYXSM-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF CN(C/C=C/c1cccc2ccccc12)Cc1cccc2ccoc12 653875557 XBHHEYMVDVCJIK-WUXMJOGZSA-N 327.427 5.731 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@@H]1[C@@H](C)CCC=C(C)C 2356628772 DLXQSJNIDUQUJQ-KSEOMHKRSA-N 332.528 6.383 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]21C 2356657132 VYSMXKSBLCBXET-CBQOVEMMSA-N 344.495 5.256 0 1 EKAF Cc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1 13141336 PTOSKTTZQOROLV-UHFFFAOYSA-N 348.431 5.221 0 1 EKAF COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)cc12 13302404 OTVSVVDNOOVYKN-UGKGYDQZSA-N 344.495 5.002 0 1 EKAF biogenic CCC1=N[C@H](c2ccccc2)c2ccccc2[C@@H](c2ccccc2)N1C 13600364 CKNBSYUQDPSTTN-DNQXCXABSA-N 340.470 5.619 0 1 EKAF CCc1nc2c(-c3ccc(OC)cc3C)ccnc2n1[C@@H](CC)C1CC1 26725742 FEHSXCRGIMTPQK-IBGZPJMESA-N 349.478 5.339 0 1 EKAF O=C(O)CCCCCC(=O)c1ccc(CCCc2ccccc2)cc1 26944372 RCFIUVZTLKGQBX-UHFFFAOYSA-N 338.447 5.080 0 1 EKAF Clc1ccc([C@H](Cc2ccccc2Cl)Cn2ccnc2)cc1 33493873 WGYAJUKIGVRKLI-MRXNPFEDSA-N 331.246 5.216 0 1 EKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CCCC1 40556686 FRDWFEKCRQOMNO-UHFFFAOYSA-N 338.234 5.087 0 1 EKAF Cc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)cc1 72116549 SIQGRWHNRYWQAS-UHFFFAOYSA-N 347.368 5.627 0 1 EKAF CCN[C@]1(c2cccc(C)c2)OC(C)(C)c2cccc3cccc1c23 73298672 RIDRBCLMWKJHJX-HSZRJFAPSA-N 331.459 5.224 0 1 EKAF Oc1ccc(C/C=C2\C3C[C@@H]4C[C@@H](C3)CC2(c2ccc(O)cc2)C4)cc1 101381230 RLOLVQCVUBTXHJ-DKUAFEHTSA-N 346.470 5.345 0 1 EKAF O=N[C@H](CCCCCCC(=O)O)c1ccc(-c2ccccc2)cc1 169717392 PYCLHIWBJDMWTA-LJQANCHMSA-N 325.408 5.586 0 1 EKAF Clc1cc(Cl)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586884725 INORUQHCEHMALC-SCLBCKFNSA-N 329.230 5.241 0 1 EKAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586909540 FIXVHTNTOKUBHW-QFBILLFUSA-N 338.476 5.387 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 587250960 UTYKQTLLHFRURI-UHFFFAOYSA-N 335.410 5.632 0 1 EKAF O=C(c1cc(Cl)cnc1Cl)c1coc2ccc(Cl)cc12 587277799 CRDNODFLLMXLGV-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)CC(C1CCCCC1)(C1CCCCC1)O2 587406493 RVBLUOACKWAMHK-UHFFFAOYSA-N 341.495 5.442 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2c1 587641882 KOXDVUMRNIKABN-OAHLLOKOSA-N 344.433 6.550 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(Cn3ccnc3)c2c1 587642593 NNEJJDNNVGFDBC-QGZVFWFLSA-N 343.474 5.902 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1 587958675 FQRMJRGXFIMHQZ-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF C/C(=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCCC1 587968054 NXWIUSPFHKFPSG-JXMROGBWSA-N 342.792 6.219 0 1 EKAF Cc1cc(-c2cccc3nccn23)ccc1Oc1nccc2occc12 1857577885 UBJHHHAOUCEOFG-UHFFFAOYSA-N 341.370 5.243 0 1 EKAF COc1ccc(-c2cc3ccccc3c(-c3cccc(N)c3)n2)cc1 1857771922 GUNSMPYZICBUDC-UHFFFAOYSA-N 326.399 5.160 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@H]2C1(C)C 2356535623 DUYNKHFSOPGXQD-YMYKFTITSA-N 344.495 5.268 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356553127 OSIWGYVBAGGXDY-SJBKTWHCSA-N 348.527 5.047 0 1 EKAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100703945 TZOLTWFMMDKJJB-UHFFFAOYSA-N 349.459 5.041 0 1 EKAF CCCC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)O 238736825 GJUNKDKCJGOYBV-KXFWTKQGSA-N 330.512 6.773 0 1 EKAF CCC[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299869194 UFEUZKBTJUJCSB-FOOFDJGMSA-N 335.491 5.536 0 1 EKAF CSc1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 586896186 KACHOZHUZZZMGP-UHFFFAOYSA-N 340.492 5.904 0 1 EKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587022911 DWSOBNBPQKKCRS-UHFFFAOYSA-N 338.141 5.012 0 1 EKAF Cc1ccnc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096055 CTIRPMWDGQETRK-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1c(Cl)ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131531 MHRBPRNQOQNCQL-UHFFFAOYSA-N 332.781 5.406 0 1 EKAF Cc1sccc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587209173 MBFCRMMIHRDSRB-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF CC(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587215613 RCPZLCUFOVREIE-HXUWFJFHSA-N 341.454 5.104 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)cc(F)c3[nH]2)c1 587779882 IKLGKLOVMMZLHV-UHFFFAOYSA-N 346.405 5.743 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCCCCC2)N1 587824479 XAIRXPKCKWOVLA-APPDUMDISA-N 340.280 5.134 0 1 EKAF Fc1ccc2[nH]cc([C@H](c3c[nH]c4ccccc34)C(F)(F)F)c2c1 1857558645 SNOZIFIZPBISFR-KRWDZBQOSA-N 332.300 5.483 0 1 EKAF Fc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)cn1 1857775080 ZIAOCKCLUFBSGB-UHFFFAOYSA-N 349.192 5.169 0 1 EKAF c1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1 72137502 OAYVFFGBYOBGCV-UHFFFAOYSA-N 340.451 5.807 0 3 EKAF C[C@H](CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 13458766 GUCJAPKUQUQDNJ-QZTJIDSGSA-N 330.468 5.840 0 1 EKAF biogenic O=C(CCCCCCSC(=O)C1CCCC1)Nc1ccccc1 28125460 OFYJZLYKHBTBMR-UHFFFAOYSA-N 333.497 5.026 0 1 EKAF c1cncc([C@@H]2CCCN2C2c3ccccc3Oc3ccccc32)c1 28230726 UECUFYZWHKPDAS-IBGZPJMESA-N 328.415 5.114 0 1 EKAF Cc1cccc(-c2ccc3ncnc(NCc4cc(C)cs4)c3c2)c1 36380631 LBTQFZFXPXNICX-UHFFFAOYSA-N 345.471 5.587 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/[C@@](C)(O)c1ccc(C(C)(C)C)cc1 49111786 QJUKQGRCPPAPND-SGBWMABMSA-N 326.524 6.130 0 1 EKAF CCCCCCNc1nc(NCCCCCC)c2cccnc2n1 72179170 BEXKYFQMSRLDIO-UHFFFAOYSA-N 329.492 5.009 0 1 EKAF Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@H]41 84757303 UGGAILYEBCSZIV-BFBKCIDESA-N 342.479 5.146 0 1 EKAF in-man Oc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 166976261 ZRSYYBBNXPNVSH-FMIVXFBMSA-N 328.371 5.231 0 1 EKAF CCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1CC 586878883 KKGQMCNNUXGAEJ-UHFFFAOYSA-N 347.231 5.256 0 1 EKAF CC(C)Oc1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053634 HJTGIMQKUSMDSB-RMKNXTFCSA-N 347.245 5.827 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4CC(C)C)-c1ccccc1C2=O 587101794 WDSAWMSMDLNXPJ-HNNXBMFYSA-N 341.454 5.831 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cn3)nc3cccc1c23 587104738 WUBDCNAQFDBFKK-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3c1ccccc1 587207483 LNTMIWLFGXZFBY-MRXNPFEDSA-N 347.417 5.524 0 1 EKAF FC(F)(F)c1ccc([C@H]2Cc3nc4cccc5c4c(c3C2)CC5)cc1 587210649 UIPPLRQOZVOYJY-CQSZACIVSA-N 339.360 5.235 0 1 EKAF Nc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587251516 HSCXKRHHTPQTQG-MDWZMJQESA-N 327.387 5.108 0 1 EKAF CC[C@@H](C)c1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403126 JZCYSMSBUTWQIS-IVZQSRNASA-N 337.463 5.361 0 1 EKAF Cc1ccc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522804 HFGHQBBLZBVMER-HSZRJFAPSA-N 332.443 5.145 0 1 EKAF Clc1cccc(CC[C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963111650 RIFCUARUSSKRKC-KRWDZBQOSA-N 340.681 5.466 0 1 EKAF C[C@]1(c2c[nH]c3cc(F)ccc23)NCCc2c(Cl)cc(Cl)cc21 963119510 GXQFRRCVSSAQJC-SFHVURJKSA-N 349.236 5.023 0 1 EKAF c1ccc(CC2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 1857655403 NEEVOZGJDWYNHS-UHFFFAOYSA-N 345.486 5.173 0 1 EKAF CC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(C)=N)cc3)o2)cc1 5831520 WFZUIXXVUMFZCB-UHFFFAOYSA-N 332.407 5.432 0 1 EKAF Cc1ccc2ccn(-c3ccc(C(C)C)cc3Br)c2n1 13794642 GSZLRKKRTKNCQK-UHFFFAOYSA-N 329.241 5.220 0 1 EKAF Cc1ccc(-c2ccnc(Nc3ccc(Cl)cc3Cl)n2)cc1 40856980 LQZGIIGQSOXLGF-UHFFFAOYSA-N 330.218 5.502 0 1 EKAF COc1ccc2cc([C@H](C)CCN(C)Cc3ccccc3)ccc2c1 45365583 JMYRECYSHPHFSC-GOSISDBHSA-N 333.475 5.474 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3O)c2)c1 82156865 YRNUSGYHTFFZCO-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF O=C(O)C[C@@H](c1cccc(-c2ccc(Cl)cc2)c1)c1nccs1 221096280 ATFGRUXZMJBLRB-INIZCTEOSA-N 343.835 5.070 0 1 EKAF CCc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1CC 586879649 MHQFTIBPFSHPSC-UHFFFAOYSA-N 336.332 5.513 0 1 EKAF CCCCCOc1cc2nc(C3=CCCC3)[nH]c2cc1Br 586883407 JCTFLTWSTJIGOS-UHFFFAOYSA-N 349.272 5.462 0 1 EKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(F)c(C)c2[nH]1 587012991 XJFRKQADQBBVBL-UHFFFAOYSA-N 337.423 5.033 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C)c(Cl)cc3[nH]2)s1 587014158 HQSZHCWROXDYDY-JTQLQIEISA-N 335.860 5.054 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587027674 ZWHYLYUMSIFNAG-UHFFFAOYSA-N 332.472 6.256 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(C)c2[nH]1 587063032 ZRWAYBZZIKTMAS-AWEZNQCLSA-N 335.234 5.708 0 1 EKAF Cc1cccc2c1Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100587 LMSPLPIJAXVKOC-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(F)c3)nc3cccc1c23 587102701 DJUWXIFXPSMPOI-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587169879 DMYKDCIIEAQPNI-VIFPVBQESA-N 338.810 5.390 0 1 EKAF CC(=O)c1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207758 USWBHPGYWTUEBF-UHFFFAOYSA-N 349.389 5.316 0 1 EKAF COc1ccccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587213746 KTRNKFORLKLHBI-UHFFFAOYSA-N 337.422 5.676 0 1 EKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc12 587250242 KCZRULYVFYCVSR-UHFFFAOYSA-N 333.822 5.441 0 1 EKAF O=C1C[C@@H](c2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587504877 OBMDELIXNBMBTC-SFHVURJKSA-N 330.786 5.064 0 1 EKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(C)=O)C1 2356313275 VJQJLWQXARUKBF-HSZHAZPASA-N 332.528 5.249 0 1 EKAF CC(C)=CCN1CCn2c(=S)[nH]c3cccc(c32)[C@@H]1c1ccccc1 27876880 RDILZWOLENKESS-IBGZPJMESA-N 349.503 5.070 0 1 EKAF CCCCCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O 45289445 HEJDCNFLUWHRKJ-ZDUSSCGKSA-N 343.901 5.465 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(-c3ccccc3Cl)nc2)c(=O)c1Cl 45303148 ZSNDRSHGZITMIP-UHFFFAOYSA-N 345.229 5.028 0 1 EKAF CC(C)=CCCC1(CCC=C(C)C)C(=O)Nc2ccccc2C1=O 49070490 DZIJRYTZETYLKV-UHFFFAOYSA-N 325.452 5.301 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccno1 58487198 RBGXPUBOKUORNP-UMWWKMARSA-N 341.495 5.082 0 1 EKAF c1ccc(CCCNCCC(c2ccccc2)c2ccccc2)cc1 84758331 URZOIXVPUIVTPT-UHFFFAOYSA-N 329.487 5.431 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC(=O)O)O2 85589190 RXYXCDMLSTZSRY-YEJXKQKISA-N 348.483 5.072 0 1 EKAF endogenous,in-man O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3F)cc21 144725353 WMGQBWYZENCVGF-IBGZPJMESA-N 344.307 5.271 0 1 EKAF Cc1ccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299834734 CEILENYWVBYUHW-SFHVURJKSA-N 336.262 5.031 0 1 EKAF Cc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1C 586895386 YOBBTURIPZNRLV-UHFFFAOYSA-N 328.415 5.006 0 1 EKAF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628635 PGMPWEUTKCWXAR-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638870 RWNWJQNYTCVJNR-UHFFFAOYSA-N 334.202 5.072 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)c(Cl)c3)c2c1 587642778 VWKXYPMKHUWNKX-LLVKDONJSA-N 332.274 6.964 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(F)c(C)c3[nH]2)cc1 587933908 ZLSOUSAZDRXJAP-FQEVSTJZSA-N 346.405 5.199 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](OC(C)C)c2ccccc2)N1 962944292 HNQLXJMEFRXYAG-MQNAVGNWSA-N 348.490 5.300 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1[C@H](C)c1ccccc1 169303125 CWCAIAPSHJFRJK-QGZVFWFLSA-N 334.463 5.511 0 3 EKAF NC[C@@H](c1ccccc1)c1ccc(Oc2ccccc2)c2ccccc12 28654196 WLMHNRQMUHLCBK-QHCPKHFHSA-N 339.438 5.723 0 1 EKAF CC(C)C(=N)NCCCCCCCCCCCCNC(=N)C(C)C 64548661 BIVIPWRRPJPXIX-UHFFFAOYSA-N 338.584 5.333 0 1 EKAF NC1(c2ccc(-c3nn4ccccc4c3-c3ccccc3)cc2)CCC1 84708956 RIXXOXWVNANJOX-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccnc1 96940159 KXNGHKZLRMTDCJ-UHFFFAOYSA-N 327.383 5.139 0 1 EKAF CN(C)c1ccc([C@@H](C[C@@H](N=O)c2ccncc2)c2ccccc2)cc1 169730248 GAOIASSLHDSFLE-FCHUYYIVSA-N 345.446 5.177 0 1 EKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccccc3[nH]2)c1 586882411 RZLSTTAPUIFOOV-UHFFFAOYSA-N 326.399 5.078 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc5ccccc5cc4[nH]3)cs2)o1 587016197 HTRALWRBKWBSLC-UHFFFAOYSA-N 331.400 5.408 0 1 EKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402237 AUHIRYHNIGJPCG-NXXUMWEISA-N 341.495 5.774 0 1 EKAF CCCc1ccc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404283 WGYNRGIPOXUHPI-JOCHJYFZSA-N 337.463 5.046 0 1 EKAF C[C@H](Cc1ccccc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524519 OASQOSOHQQMFGT-MWTRTKDXSA-N 334.459 5.168 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1C 587920852 OUALOUJUKAKCCP-UHFFFAOYSA-N 334.271 6.401 0 1 EKAF Brc1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587968330 MUDKHFPLPQKCAA-VAWYXSNFSA-N 349.231 5.649 0 1 EKAF O=C(Cc1ccc(-c2ccc3cc[nH]c3c2)cc1)OCc1ccccc1 653783729 MBXVLDQTFFMIKE-UHFFFAOYSA-N 341.410 5.121 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@]45C[C@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772608155 OUHVEACSDYIANY-OZCCQPQSSA-N 345.486 5.217 0 1 EKAF COc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1 15933834 OOIDIPVHPVBSRT-UHFFFAOYSA-N 346.451 6.253 0 3 EKAF CC[C@H](C)n1c(SCc2cccc(C)c2)nc2ccsc2c1=O 2925306 LNCILTZREZAQPL-ZDUSSCGKSA-N 344.505 5.030 0 1 EKAF CC(=O)OC/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)cc1 14505179 BNNYBSQTXXCEER-RZZDJWKDSA-N 328.452 5.334 0 1 EKAF COc1ccc([C@@H]2CCc3ccc(OC)c(CC=C(C)C)c3O2)cc1 15115015 YVUIGWVIBZIHEC-FQEVSTJZSA-N 338.447 5.279 0 1 EKAF biogenic Clc1ccc([C@@H]2C[C@H](N3CCCCC3)c3ccccc32)cc1Cl 29487716 QFYBAQPQINYSLW-PXNSSMCTSA-N 346.301 6.056 0 1 EKAF COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1F 35067603 ZOEIOUGYWBQJBH-UHFFFAOYSA-N 345.377 5.188 0 1 EKAF CCC(CC)Oc1cc(C)c(Oc2c(C)cc(C)cc2C)nc1C 72175627 VTYZHMXNRZSPMN-UHFFFAOYSA-N 327.468 5.983 0 1 EKAF CCCCCCc1c(C)c2ccccc2n1C(=O)C[C@@H](C)CC(=O)O 103270844 IOLXGBRXPNGLCP-OAHLLOKOSA-N 343.467 5.214 0 1 EKAF Nc1sc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1 223041827 RDFGSNWTCSIGHG-UHFFFAOYSA-N 327.211 5.673 0 1 EKAF CC[C@H](C)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991068 QTXBNSPHBQVJDP-QWHCGFSZSA-N 343.426 5.228 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(CC)cc4[nH]3)cs2)cc1 587015505 FYWIQFVEBWWBMY-UHFFFAOYSA-N 333.460 5.478 0 1 EKAF Cc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1C 587076540 NEVFEYFJVMENJT-IBGZPJMESA-N 339.870 5.170 0 1 EKAF Cc1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137701 HAGQIWIBUNLZSB-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587205896 HEUCOUGPWADTAW-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF Cc1cc(C(=O)c2coc3ccc(Cl)cc23)ccc1Br 587275548 BNTPOXBDCBSERO-UHFFFAOYSA-N 349.611 5.388 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CCCC[C@H]31)CC2=O 587483300 QBYCMUMEJFCUPM-AVBTWRTFSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)CC[C@@H]1C(C)C 587488486 JWGGWKZNOXMLBD-AVBTWRTFSA-N 330.468 5.141 0 1 EKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2cccc(F)c12 587633202 UUUZYHWYSKKSCM-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF COc1cccc(C)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587785422 AJFJSMZSFZZYSM-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(F)c(C)c4[nH]3)ccc2c1 587935352 TUOZEJGXIZPVJV-GFCCVEGCSA-N 334.394 5.324 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C1 587968895 HZMWCJGJNPXKQU-NXEZZACHSA-N 328.353 5.651 0 1 EKAF C[C@@H]1CCCc2ccccc2[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963096432 DQJBFOUXKROUFS-NIJIEXERSA-N 335.466 5.062 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@H]2[C@@H]1COC(=O)C1 2356347058 AQARKTASOBROAE-QFSWKNFVSA-N 344.539 5.599 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3CC[C@@H]12 2356471138 PGTLDPKTOGVCIU-CDJZJNNCSA-N 344.495 5.269 0 1 EKAF COc1cc(C)c(CCC(C)=CCc2cc(O)ccc2O)c(C)c1C 2356668875 FFAKJAIQHPBXPV-UHFFFAOYSA-N 340.463 5.153 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@]1(C)CS1 2356751301 QOPVNDPJLOUFPN-IIPZINQHSA-N 346.580 5.432 0 1 EKAF Cc1cccc(-c2nc(N[C@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)c1 4117969 ZIRNQNBGCPULEO-ZWOKBUDYSA-N 345.490 5.842 0 1 EKAF CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](O)CO 15261819 MUFIFXIVKHSXDD-WOJBJXKFSA-N 330.553 5.084 0 1 EKAF biogenic CC[C@@H](C)CCCCCCCCCCCCCCOC[C@H](O)CO 15261829 CBKUIYYARLOKAP-NHCUHLMSSA-N 344.580 5.474 0 1 EKAF biogenic CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@H]1CC[C@H](O)O1 28341460 IMGRHWYIBGFQEG-TUARKOLESA-N 342.523 6.182 0 1 EKAF CCOC(=O)c1oc2cc(-c3c(F)cccc3Cl)cc(O)c2c1C 28360588 KTIAECLIYIMXDH-UHFFFAOYSA-N 348.757 5.083 0 1 EKAF COc1ccc2c(CCCCCCCCCCCCO)c[nH]c2c1 28639197 ZYRSPLLLOIVSBB-UHFFFAOYSA-N 331.500 5.612 0 1 EKAF CC/C=C\C/C=C/C/C=C\CCCCCCCc1ccc(C=O)[nH]1 209607457 SBTDAFBYYGSBEE-PCMISOECSA-N 327.512 6.569 0 1 EKAF Cc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587030920 MMRWUOVABNHOGF-GFCCVEGCSA-N 348.475 5.225 0 1 EKAF Cc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587030921 MMRWUOVABNHOGF-LBPRGKRZSA-N 348.475 5.225 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc1F 587146182 CKPPXKSJZGYLGZ-PLNGDYQASA-N 349.178 5.082 0 1 EKAF O=C(c1cccc(OC(F)(F)F)c1)c1coc2ccc(Cl)cc12 587278121 GZLOETWZBYEIAQ-UHFFFAOYSA-N 340.684 5.216 0 1 EKAF Cc1cc(Cl)cc2c(-c3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c12 587624263 ICZUNLPMUWGXNC-UHFFFAOYSA-N 349.743 5.692 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCN2CCC(C)CC2)cc1 1857537710 QHLCQRLEFPCFJI-UHFFFAOYSA-N 331.544 5.655 0 1 EKAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C[C@H](C=Cc3ccccc3)OC(=O)[C@H]12 2356477076 WTHYBEDBWJWEEI-GVUKCBQMSA-N 336.475 5.116 0 1 EKAF COC(=O)C(C)=C(O)C=CC=CC(C)=CC=CC=Cc1ccccc1 2356519583 IGDYHMRRTTXPCY-UHFFFAOYSA-N 336.431 5.320 0 1 EKAF Fc1cccc(F)c1[C@H]1SCc2nc3cc4ccccc4cc3n21 1648920 DTBHBQKQXXBWLM-LJQANCHMSA-N 338.382 5.261 0 1 EKAF Clc1ccc(-c2noc(-c3sccc3Cl)n2)cc1Cl 13671416 QVTGACQBGLBVLV-UHFFFAOYSA-N 331.611 5.425 0 1 EKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c(Cl)nc2Cl)cc1 26275383 AFBFRMYSUUAWLU-UHFFFAOYSA-N 332.186 5.134 0 1 EKAF COc1ccc(/C=C\c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N 26578703 XGZFOHUFYSXUDB-SREVYHEPSA-N 335.491 5.797 0 1 EKAF O=C(O)CCCC/C=C/c1cc(-c2ccccc2)c2ccccc2n1 27433259 XCKISKFKUHZRIZ-WUXMJOGZSA-N 331.415 5.560 0 1 EKAF CCC1=C[C@@H]2Cc3nc4cc(Cl)cc(Cl)c4c(N)c3[C@H](C1)C2 27524236 RSDNICWRHUAZOZ-WDEREUQCSA-N 333.262 5.510 0 1 EKAF C/C(=C\CCc1ccoc1)C/C=C/[C@](C)(O)C/C=C/c1ccoc1 34760133 DZEFKZQONVGMNQ-HEVPBCRTSA-N 326.436 5.552 0 1 EKAF CC(/C=C/C1=C(CC(C)C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)O 40917422 HJDXHVHASFJGNS-XMRXFRDSSA-N 342.523 6.629 0 1 EKAF Cc1ccc2c(c1)sc1nc(-c3ccccc3)c(Cn3cccc3)n12 72179409 AEXQYAHMFQVHPJ-UHFFFAOYSA-N 343.455 5.374 0 1 EKAF CO[C@H](c1cc(C)no1)c1ccccc1/C=C/c1ccc(Cl)cc1 103183730 OVBUJNNFMICYNX-OSICKASQSA-N 339.822 5.543 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899393 VLSSKGKVWJPUSE-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF Fc1cc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2cc1Cl 587053236 AASABEOMEVKHSY-SNAWJCMRSA-N 341.600 5.833 0 1 EKAF Cc1c(-c2nc3cccc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165584 DUPVWWZVUQSKOI-UHFFFAOYSA-N 339.801 5.336 0 1 EKAF CCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356783 RSJJEFBOVZZIKO-PZJWPPBQSA-N 342.410 5.085 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1CCCC1)(C(C)(C)C)O2 587402974 JMFUQMAQJAADMI-OAQYLSRUSA-N 329.484 5.298 0 1 EKAF COc1cc2c3c(c1)O[C@H]([C@H](C)CC[C@@H](C)CC(C)(C)C)[C@@H](C2)C3=O 587446103 UCEABVBXYMAANF-COESMTMPSA-N 344.495 5.300 0 1 EKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587504996 KJFDIUYCQOJWRI-LJQANCHMSA-N 326.823 5.234 0 1 EKAF Cc1c[nH]c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587527051 SVOCUFKXYLZZCZ-QHCPKHFHSA-N 349.474 5.035 0 1 EKAF O=C(c1cccs1)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629293 IVOXLHCIUPBJCV-UHFFFAOYSA-N 329.730 5.191 0 1 EKAF Cc1cncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783461 BKFABFUBTJWBLQ-XFXZXTDPSA-N 341.414 5.016 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCC[C@@H]2CCc1ccccc1 963237908 HIXSGXWTIXCYQJ-QFZRFWILSA-N 347.546 5.971 0 1 EKAF Oc1cccc(-c2cc(-c3ccccn3)nc3c2Cc2ccccc2-3)c1 1772657017 SFTYXDDBMVCCTF-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC[C@]1(c2ccccc2)Sc2ccc(C)cc2-n2cccc2C1=O 5846911 CJQFMTPUGKECTK-OAQYLSRUSA-N 333.456 5.380 0 1 EKAF CCCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604797 DAPZVFMPUMSTES-JOCHJYFZSA-N 340.463 5.227 0 1 EKAF COc1ccc2nc(C)cc(NCc3ccc4ccccc4c3)c2c1 45229618 CEVQNSOLLJESGB-UHFFFAOYSA-N 328.415 5.317 0 1 EKAF COc1ccc(/C=C/[C@H]2C(C)=CC=C2C2=CC(C(C)C)=CC2)cc1OC 49784877 SQIHRZTUANMWIF-SQEWALACSA-N 348.486 6.132 0 1 EKAF Oc1ccc(Oc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 59225812 VCTIBYODOMRSES-UHFFFAOYSA-N 348.333 5.041 0 1 EKAF O=C(CCc1ccccc1)C[C@@H](O)CCCCCCc1ccccc1 82150976 KOJGDUNEMGGIAC-QFIPXVFZSA-N 338.491 5.133 0 1 EKAF Cc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 299837089 PKQMROARGJJZNX-UHFFFAOYSA-N 336.247 5.564 0 1 EKAF CC(C)(C)OC(=O)C(C)(C)c1nc(-c2cccc(Cl)c2)cs1 318961002 FJQAOQIGMYZDQT-UHFFFAOYSA-N 337.872 5.083 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCCCCC4)-c1ccccc1C2=O 587100420 JKZLKRJIBNEMTE-UHFFFAOYSA-N 327.427 5.414 0 1 EKAF Cc1ccc([C@@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587208376 UXGKZCUMGIVPOF-IBGZPJMESA-N 347.417 5.443 0 1 EKAF CCCCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391582 SJGDYQNXPZOOGD-NRFANRHFSA-N 348.446 5.039 0 1 EKAF O=C1C[C@H](c2cc(F)ccc2Cl)Oc2c1ccc1c2CCCC1 587506434 SNBFJFIUCPPMII-GOSISDBHSA-N 330.786 5.064 0 1 EKAF CC(C)(C)C1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587526037 PWEASFSRJPNEOO-MYKUNDNFSA-N 340.507 5.752 0 1 EKAF Cc1ccc([C@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531621 HHMQQKZOCKYINJ-JOCHJYFZSA-N 336.431 5.128 0 1 EKAF O=C(c1c(-c2cc3ccccc3o2)[nH]c2cc(F)ccc12)C(F)(F)F 587633556 GINGTYIAHQNEHG-UHFFFAOYSA-N 347.267 5.465 0 1 EKAF CCCC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813265 NWGSNIROPUEXAJ-SJKOYZFVSA-N 342.296 5.164 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(C)(C)C)c2[nH]1 587934224 FJEWUYBEOIYSIX-UHFFFAOYSA-N 346.474 5.441 0 1 EKAF CCC(C)(C)c1ccc(C[C@H](C)CN2CC[Si](C)(C)CC2)cc1 653753974 FRIZOFPEBMIJEH-SFHVURJKSA-N 331.620 5.577 0 1 EKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(NCc3ccccc3)n2c1 1772633330 TXMKPVYVKDGHAI-UHFFFAOYSA-N 347.849 5.575 0 1 EKAF c1ccc2c(-c3cc(Nc4ccc5[nH]ccc5c4)ncn3)cccc2c1 1857590709 APIBAPGYWCCHPD-UHFFFAOYSA-N 336.398 5.522 0 1 EKAF CC(=O)OC(C)(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 2356439969 JDYQUVYFBYLQIM-KNKQGSTJSA-N 330.512 5.827 0 1 EKAF CCc1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 4810038 WYKHZCQTFQGUQH-PCAIFEHESA-N 347.458 5.244 0 1 EKAF CC1(C)N=C(c2ccccc2)SC12S[C@@H]1CCCC[C@H]1S2 5963540 VBQAUJUDMWRJMA-ZIAGYGMSSA-N 335.563 5.404 0 1 EKAF Oc1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1 13582360 DOWRAWDUVGYWFP-UHFFFAOYSA-N 348.490 5.076 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C(/C(=O)O)C(C)C)C(C)(C)CCC1 13650249 NKQIYDSGIYJXSA-GONLDXPSSA-N 342.523 6.629 0 1 EKAF CCCC(=O)c1cnc2ccc(N)cc2c1Nc1c(C)cccc1C 13742210 ISSQECCRZWIVEC-UHFFFAOYSA-N 333.435 5.160 0 1 EKAF CCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 14946850 TYNLGMGANHYOFS-YVWNRYLDSA-N 340.507 5.280 0 1 EKAF CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(Cl)cc2C1=O 28956464 PFFYWNMZERFXAN-UHFFFAOYSA-N 341.838 5.387 0 1 EKAF CN(C)CCNc1cc(-c2cccc3ccccc23)nc2ccccc12 29479680 RLCLXTGISFTJFU-UHFFFAOYSA-N 341.458 5.029 0 1 EKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 34659329 JALSVOZEVSMDLQ-IZCUWNJCSA-N 348.527 5.968 0 1 EKAF Cc1ccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 38248643 IHMPWAMSSNUCOI-MRXNPFEDSA-N 344.842 5.072 0 1 EKAF C[C@@H](Oc1cccc2ccccc12)c1cn(-c2ccccc2Cl)nn1 42964863 IUBAGXJEUGRVAA-CQSZACIVSA-N 349.821 5.214 0 1 EKAF CC[C@@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=S)cc1 64235699 HHMOBPKKTQMMKW-LLVKDONJSA-N 345.851 5.480 0 1 EKAF CC(=O)Oc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@@H](C)CCC=C(C)C 84669207 UHXOVZUZAQSJTA-SCTDSRPQSA-N 328.496 6.284 0 1 EKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C 238731506 FVVNLEXAZHEDCJ-MERKNKPRSA-N 348.527 5.046 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1 299866877 PQLUBBRRPWBVLK-UHFFFAOYSA-N 346.471 5.172 0 1 EKAF CC1=Cc2nc3c(C)ccc4c3c(c2[C@@H](C)C1)-c1ccccc1C4=O 587100484 LFCUZCPUTOQFQQ-AWEZNQCLSA-N 325.411 5.665 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(C)cc(C)cc3[nH]1)CC2=O 587487956 WSKIMSDRLIOLNG-NRFANRHFSA-N 349.430 5.149 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)C1CCCCC1)CC2=O 587491796 ZLDXLWYGBNIISO-SZNDQCEHSA-N 330.468 5.285 0 1 EKAF CC[C@]1(C(C)(C)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524540 OIAPHVNFNJGWLJ-XMMPIXPASA-N 348.486 5.657 0 1 EKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587643611 VNLFFQXBHZQCKY-KGLIPLIRSA-N 344.499 5.830 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587930277 NVICNKMOIGWBIW-AOMKIAJQSA-N 334.463 5.314 0 1 EKAF Fc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949904 MRZPPUFNPFCEEP-RAXLEYEMSA-N 330.362 5.665 0 1 EKAF CC(C)N(C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2 653818630 JJCGACRJJRLNSP-FMIVXFBMSA-N 333.519 5.879 0 1 EKAF CC[C@H](c1ccc(C)cc1)[C@]1(CC)N[C@@H]2CC[C@H]2c2ccc(OC)cc21 962999576 YORUPXGPGYPZPY-SCDRESIJSA-N 349.518 5.652 0 1 EKAF CC(C)=CC=C[C@]1(C)CCc2c(O)cc(C)c(CC=C(C)C)c2O1 2356656379 UANZUGFDTSFCAF-JOCHJYFZSA-N 326.480 5.815 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@@H]1C 2356688839 OCOYHOXMCJVVSI-PZPFTHLGSA-N 330.468 5.007 0 1 EKAF Cc1ccc(F)c([C@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)c1 13829817 JWYBGPLSVSRAES-UNWVZKJWSA-N 349.449 5.190 0 1 EKAF Oc1cc(O)cc(CCCCCCCCCCc2ccccc2)c1 14651559 DOAKROJPUDWPEL-UHFFFAOYSA-N 326.480 6.004 0 1 EKAF biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CO 38791464 FJKIIOLHXOZNMK-ZTWRLTPTSA-N 346.599 7.541 0 1 EKAF C[C@H](c1ccccc1)N(C)Cc1coc(-c2cccc3ccccc23)n1 72185070 YDZLYDRRVDLQSY-QGZVFWFLSA-N 342.442 5.688 0 1 EKAF CC(C)=CCC/C(C)=C/COC(=O)c1ccc(Br)cc1 103215368 DZZYLTXXLXPPPS-SDNWHVSQSA-N 337.257 5.299 0 1 EKAF O=C1C[C@H](c2ccccc2OCc2ccc(F)cc2)Oc2ccccc21 299854871 ANDBYPZRFZDSHU-JOCHJYFZSA-N 348.373 5.111 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3ccccc3O)n2)cc1 473135396 ORGQHRDJDDAWRQ-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF c1csc(-c2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)s2)n1 587024123 WDGWGBQYLOUTRE-UHFFFAOYSA-N 337.473 5.294 0 1 EKAF Cc1ccc2c(c1)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100021 DHZKKLCTYVCHNF-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF CC[C@]1(C)C=Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100050 DZHHSIXUURLBDS-XMMPIXPASA-N 339.438 5.740 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587172142 XENLXSODVWQLNP-ZDUSSCGKSA-N 340.467 5.477 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CCCC[C@@H]31 587208508 XJNWCYGLYNODER-LSDHHAIUSA-N 339.438 5.666 0 1 EKAF COc1cc(C(=O)c2coc3ccc(Cl)cc23)ccc1OC(C)C 587276787 WBWHVIJEXMEXCJ-UHFFFAOYSA-N 344.794 5.113 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(C(C)C)cc1)CC2=O 587485276 UJWVBTBUSHPBNS-KRWDZBQOSA-N 338.447 5.045 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cc(Cl)ccc12 963240732 LJYOVHWUBCDXKT-SPLOXXLWSA-N 338.882 5.567 0 1 EKAF c1ccc(Cn2ccc3c4ccccc4nc-3c2-c2ccccn2)cc1 1857574215 XJZGATSNEGJHPI-UHFFFAOYSA-N 335.410 5.251 0 1 EKAF CCC=CCC=CCC=CCCCCCc1cc(=O)c2ccccc2[nH]1 2356450527 XQRHBYYYWPSSHF-UHFFFAOYSA-N 349.518 6.490 0 1 EKAF CC(=CCCc1ccoc1)C[C@@H](O)C[C@H](C)CCCc1ccoc1 2356621219 SFDYMPBPKHWFDV-WIYYLYMNSA-N 330.468 5.552 0 1 EKAF CC(=C[C@H](O)CC(C)=CCCc1ccco1)CCCc1ccoc1 2356643572 XNUVIJCRRGJXMD-FQEVSTJZSA-N 328.452 5.472 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 15120706 YMYBAWFGDGMZLY-YVGNARHYSA-N 346.467 5.267 0 1 EKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@@H]12 15263825 NEPLKJAINOWIJL-DHNNRRLOSA-N 335.491 5.334 0 1 EKAF in-vivo CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1 26834971 CIMIEFTVOJLVCS-UHFFFAOYSA-N 332.447 5.104 0 1 EKAF CC(C)(C)c1ccc(N[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 66258954 VNFHUBHFCOEIHW-UNMCSNQZSA-N 335.491 5.897 0 1 EKAF CCCN(Cc1coc(-c2ccccc2OCC)n1)c1ccccc1 72185914 KHKPCKFKIRVWEG-UHFFFAOYSA-N 336.435 5.157 0 1 EKAF c1ccc(CCCCN2[C@@H]3CCC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100757876 OPUKVGUEIVRYRA-AUSIDOKSSA-N 344.502 5.643 0 1 EKAF COC(=O)C[C@@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@]12C 229903598 TWPKVIVCLJTFPY-OTNPHJDUSA-N 334.500 5.040 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)C1 299825982 NVJIUYBPXVBYTK-QGZVFWFLSA-N 330.834 5.833 0 1 EKAF Clc1ccccc1O[C@@H](CC1CNC1)c1ccc2ccccc2c1 299834631 BSZJUUFTQGBZQN-NRFANRHFSA-N 337.850 5.223 0 1 EKAF COc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1C 587098000 MYDZDCYUBWVKBX-NSHDSACASA-N 334.341 5.051 0 1 EKAF CCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587208304 OXDWSLHDRKVEQD-UHFFFAOYSA-N 338.248 5.325 0 1 EKAF C[C@@]1(c2coc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587533349 PUNPOFRMONONIJ-QFIPXVFZSA-N 332.399 5.192 0 1 EKAF Cc1nc2ccccc2n1Cc1ccc2c(c1)CCc1ccccc1N2 653818667 UTKDQJRFSBBBPX-UHFFFAOYSA-N 339.442 5.235 0 1 EKAF CC[C@@H](C)CCCCCCCCC=CCCC=CCCCC(=O)O 2356307050 MSSRAIBXLMBRKT-OAQYLSRUSA-N 336.560 7.301 0 1 EKAF CC(C)N1[C@H](C)[C@@H](c2ccccc2)O[P@]1(=O)CC1=CCCCC1 6441910 WVSPGKLSTNAFMP-BVZALQNUSA-N 333.412 5.550 0 1 EKAF N=C(Cc1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1 29410312 KSFAEQFWSOPREE-UHFFFAOYSA-N 328.459 5.239 0 1 EKAF Cc1c2c3c(c4ocnc14)[C@@H](C)CC[C@@H]3[C@@H](C)[C@@H]2/C=C/C(C)(C)O 38792195 JSKUEIQCYRLEIS-JIDGNWBMSA-N 325.452 5.178 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cccs3)n2)cc1 49111865 TVZLOJAVHLEYQE-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 59240045 ZIXGRIAHBXUPIK-UHFFFAOYSA-N 334.419 5.460 0 1 EKAF CC(C)[C@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C2CCNCC2)C1 103274450 MFDGVYAVICCSCC-PVERMEFCSA-N 343.599 6.345 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)C(C)=CC[C@@H]12 238779047 PDJCFUBZSXJGDN-LCSZQOBJSA-N 348.527 5.047 0 1 EKAF CC(C)CC[C@H]1S[C@@H](CCC(C)C)S[C@@H](CCC(C)C)S1 253638200 NTXLGTSNINCLPB-BCDXTJNWSA-N 348.687 7.487 0 1 EKAF C[C@@H]1CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C 263614323 GVFFAMRIFGYUEO-PNGQXQSQSA-N 344.627 7.718 0 1 EKAF in-vitro CC(C)(Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587008905 RITRGYGLJRFZJX-UHFFFAOYSA-N 330.659 5.074 0 1 EKAF Clc1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc2ccccc12 587085966 QKHOYNMVICLLMP-UHFFFAOYSA-N 333.822 5.310 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(O)cc1C4)-c1ccccc1C2=O 587102623 YNTSGKDROXHPRP-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF CC(C)Oc1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171743 RXPMWVNUUBOUEB-CYBMUJFWSA-N 344.455 5.385 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC(C)C)(c1ccoc1)CC2=O 587485248 UNDYBEVOASTDLP-NRFANRHFSA-N 342.435 5.235 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)CC1CCCCC1)CC2=O 587491664 YCHFYYSHQXJFPT-XOBRGWDASA-N 330.468 5.285 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCC(=O)O)c2c1 587640457 DODZYRSIGWNORR-ZDUSSCGKSA-N 339.410 5.505 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(OC(C)C)cc2[nH]1 587950684 BZPRSFQHMVHEMS-CLCXKQKWSA-N 330.472 5.397 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587951667 IGMVIAPDIVOFRC-KWBADKCTSA-N 342.270 5.311 0 1 EKAF CC/C(=C/c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587968472 TWSQQKXWFRBMMQ-FLIBITNWSA-N 332.234 5.524 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)cc(-c2ccc(Cl)cc2)n1 653738914 PRLYBAAVTBWWIZ-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF c1csc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)c1 653758713 UAFUWDXNOLBIJM-UHFFFAOYSA-N 333.460 5.818 0 1 EKAF CCc1ccccc1NCc1ccc(CNc2ccccc2CC)o1 1857601108 PIVKITLFXDOYCK-UHFFFAOYSA-N 334.463 5.629 0 1 EKAF CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OCC)c1 2356672862 AEMUKTQSTGYTRH-UHFFFAOYSA-N 344.539 6.759 0 1 EKAF CCCCCC=CCC=CCCCCCCCC(=O)NCC(C)C 2356764678 BZWZVFMHAZFRMA-UHFFFAOYSA-N 335.576 6.572 0 1 EKAF Cc1cccc(-c2c[nH]c([C@@H](O)c3ccc(-c4ccccc4)cc3)n2)c1 61908015 SFASHGBHZOALKJ-QFIPXVFZSA-N 340.426 5.134 0 3 EKAF CC(C)[C@H]1CC[C@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O 3896090 JLBHTGXFDNZNJL-HAFPXEGZSA-N 336.475 5.274 0 1 EKAF CCCN1N=C2/C(=C/c3ccccc3)CSC[C@@H]2[C@@H]1c1ccccc1 29311042 JUGKHVPNYBEOAS-FIEBPNJBSA-N 348.515 5.256 0 1 EKAF 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Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ccccc1)-c1ccccc1C2=O 587101029 QJYSPKJFDXPNGZ-IBGZPJMESA-N 347.417 5.443 0 1 EKAF C[C@H]1c2nc3cccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O 587207898 OJACMPTXLAKRQF-VLIAUNLRSA-N 347.417 5.695 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccccc1)CC2=O 587486266 XJRVNZGNNXSWOS-GCJKJVERSA-N 336.431 5.016 0 1 EKAF Cc1ccc(C)c2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522105 FCTVYRXTJHLUSE-DEOSSOPVSA-N 346.470 5.379 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)o1 587629516 AMUQJPXVIXNKDU-UHFFFAOYSA-N 345.679 5.274 0 1 EKAF COc1cccc(C)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587786888 NQFFVNPTIQUHJL-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587951621 HWHDEQCRMDSNDK-MJVIPROJSA-N 341.377 5.023 0 1 EKAF CC(C)Oc1ccc(-c2coc3cc(OC(C)C)ccc3c2=O)cc1 13864257 HQYHITLXTXEDRE-UHFFFAOYSA-N 338.403 5.034 0 1 EKAF C=Cc1cccc2c1N(CCCCCC)Cc1cc3c(cc1-2)OCO3 28641368 CKFFPDVQJHIVQW-UHFFFAOYSA-N 335.447 5.626 0 1 EKAF O=C(O)c1ccc2c(c1)CCc1cc(/C=C/c3ccccc3)ccc1-2 29549357 PERKUVCVLQRWJD-VOTSOKGWSA-N 326.395 5.321 0 1 EKAF Cc1ccc(CCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1C 40898312 VHKVYVUISSEEQD-UHFFFAOYSA-N 345.442 5.530 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC(C)C)cc2)n1 72101971 SFDCZEFCYMYSTH-MRXNPFEDSA-N 330.472 5.187 0 1 EKAF Oc1c2c(nn1-c1c(Cl)cccc1Cl)-c1ccccc1SC2 101340344 MQBUNJZPMWBSQW-UHFFFAOYSA-N 349.242 5.157 0 1 EKAF COc1cc(C)c(/C=C/C(C)=C(F)/C=C/C(C)=C/C(=O)O)c(C)c1C 145329522 ZZSVXJFEYUAKHM-UMAVUTBLSA-N 344.426 5.464 0 1 EKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586881152 QPYYAPQWKLVFHU-UHFFFAOYSA-N 348.393 6.109 0 1 EKAF C/C=C/COc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587214087 LZSSUBJWGUEERH-NSCUHMNNSA-N 329.443 5.074 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(C)C)c1 587366810 NBZCDWDNLASIMT-QGZVFWFLSA-N 343.426 5.952 0 1 EKAF CSc1ccc(-c2csc(-c3ccc4c(c3)CCO4)n2)cc1 587925663 SISXVUWRNXPYPS-UHFFFAOYSA-N 325.458 5.134 0 1 EKAF Fc1cc(F)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587950456 QVIDIMVWXKEFLC-ZHACJKMWSA-N 348.352 5.804 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(OC(F)(F)F)c1 963240548 KLDFIVUYJPRHOF-LIRRHRJNSA-N 349.396 5.331 0 1 EKAF Cc1ccc(C(=O)Oc2cc3c(C)ccc(C(C)C)c3cc2C)cc1 1772619922 ORCVAZXUSSVUGI-UHFFFAOYSA-N 332.443 6.108 0 1 EKAF CCCCC/C=C\C/C=C\CCCCC/C=C1/C(=O)O[C@H](C)[C@H]1O 1857638672 LNYQOLUSUDXMMN-GMGKUCSHSA-N 334.500 5.252 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)c(C)cc2c1[nH]c1ccccc12 2356640623 JSSIAXXILAGJKE-UHFFFAOYSA-N 333.475 6.570 0 1 EKAF CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1Cl 95554312 RPANVIVCJBQEMC-HNNXBMFYSA-N 342.870 5.073 0 3 EKAF Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccccc1 13474621 OPGDQKHWHCHXQH-UHFFFAOYSA-N 348.450 5.122 0 1 EKAF CCCc1c[nH]c2c(F)cc3c(c12)C[C@@H](N(CCC)CCC)CC3 13741701 HCDLXJXEGJTMHB-KRWDZBQOSA-N 330.491 5.239 0 1 EKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cccc1C 13742181 KPGCEOMYRXPWSD-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF COc1ccccc1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 13757623 LEQQCMUWPDWHHF-OAQYLSRUSA-N 341.454 5.114 0 1 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CC(C)=CCC/C(C)=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1 587966686 DUBKXIYPJJSPMU-SAPNQHFASA-N 348.515 6.864 0 1 EKAF CCCCc1ccc([C@@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950644 RZXMRGFJXMOZCQ-YADARESESA-N 346.518 5.698 0 1 EKAF Fc1cccc2c1[C@]1(CCCC[C@H]1c1ccccc1)N1CCC[C@@H]1C2 963102253 KONVMKAEABHFFE-ZRCGQRJVSA-N 335.466 5.399 0 1 EKAF COc1ccc(C=Cc2cc(OC)c(CC=C(C)C)c(OC)c2)cc1 2356394620 FDLKGACURJDMFZ-UHFFFAOYSA-N 338.447 5.392 0 1 EKAF CN1[C@H]2CC[C@@H]1[C@@H](/C=C/c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 13742494 VQILFFVIWGYQHG-RJAQXZIFSA-N 337.894 5.620 0 1 EKAF O=C(CCCCCCc1cccs1)c1ncc(-c2ccccn2)o1 14979800 VYGSYWKKZIMLJG-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF Cc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)o1 45387543 YJSNVCBCJIMWKQ-UHFFFAOYSA-N 341.819 6.292 0 1 EKAF CSc1ccc(C[C@H](C)N[C@H](C)Cc2ccc(SC)cc2)cc1 49803605 CCIYCSAEJVZXQO-IYBDPMFKSA-N 345.577 5.282 0 1 EKAF CN(C)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84742631 MNVLVRLRIKNKIW-UHFFFAOYSA-N 337.466 5.693 0 1 EKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccco3)c2)cc1 95555223 MQVFBAPUWKTIJS-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95563035 XBDMBJMOSQNREF-UHFFFAOYSA-N 340.477 5.071 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1ccccc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722130 GOOKYIJBCRETAO-LEWJYISDSA-N 332.447 5.240 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C 238767444 ABMHRZWSHXQICN-DMYZENFISA-N 348.527 5.046 0 1 EKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023013 CAMRRDPOYPENRZ-UHFFFAOYSA-N 331.853 5.377 0 1 EKAF Fc1cc2[nH]c(CCc3ccccc3Cl)nc2cc1C(F)(F)F 587059949 VXBPEZOFFIOVGR-UHFFFAOYSA-N 342.723 5.159 0 1 EKAF Cc1cc(C)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077907 ZHSDHPVYASLALQ-GOSISDBHSA-N 339.870 5.170 0 1 EKAF COc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(C(F)(F)F)c1 587098116 REOOGXSJRUSCSH-UHFFFAOYSA-N 348.368 5.555 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)nc2cccc3c2c1CC3 587209219 KGGWVBFLMWYWRQ-UHFFFAOYSA-N 330.214 5.321 0 1 EKAF O=C(c1sc2ccccc2c1Cl)c1coc2ccc(Cl)cc12 587279145 OJOIULOQTSKJLP-UHFFFAOYSA-N 347.222 6.185 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2ccc(F)c(Cl)c12 587630086 RAKFIKRNUHYWRB-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF Cc1cccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c1C 587631167 IJHQLBSOYPXNOK-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CCCCc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922015 GILVQMKGVZUMTM-UHFFFAOYSA-N 329.415 6.098 0 1 EKAF CC/C(=C\c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(C)cc1 587965967 DZUOXAJXAPXXDW-XYOKQWHBSA-N 331.246 6.129 0 1 EKAF COc1ccc2c(c1)[C@@](C)(c1cccc3ccccc13)N(C(C)C)CC2 962094009 VIWVBGNEUWSDFS-XMMPIXPASA-N 345.486 5.378 0 1 EKAF CCOC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356349948 RDNOHEMCCBNRKQ-NJDAHSKKSA-N 340.592 7.015 0 1 EKAF CC(=CCCC(C)=CC(=O)O)CCC=C(C)CCC=C(C)C(=O)O 2356578807 HCVPUYBRWDQARC-UHFFFAOYSA-N 334.456 5.281 0 1 EKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@H]2c2ccc(F)cc2)C1 6859173 AUEMPCDOMTVLGE-PMACEKPBSA-N 336.410 5.070 0 1 EKAF Fc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1 13488904 IIHYJKOPTLVNPT-UHFFFAOYSA-N 329.415 5.587 0 1 EKAF CO[C@@H]1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27075101 DEHOTNIOLAUDNF-LJQANCHMSA-N 325.383 5.138 0 1 EKAF FC(F)(F)c1ccc(-n2nc3c(c2-c2ccccc2)CCCC3)cc1 28713493 RIYFFLBENPDDNH-UHFFFAOYSA-N 342.364 5.437 0 1 EKAF O=C(O)CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21 40860679 SPRHRBGCDSYOLX-NTEUORMPSA-N 348.348 5.530 0 1 EKAF CC(C)COc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O 40878334 JXHZLPOSGLGMPR-UHFFFAOYSA-N 334.415 5.467 0 1 EKAF O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCC1 73402448 LNELYLIANNZHAW-UHFFFAOYSA-N 338.451 5.059 0 1 EKAF Cc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 100834278 PPFYUSNKVHPQHA-NHCUHLMSSA-N 335.491 5.035 0 1 EKAF CC[C@@H](C)CCC[C@@](C)(CCCC(C)C)[C@@H]1C=C(C)CC[C@@H]1C(C)C 102191728 BSFSYBSOZFHRHQ-WJNCPCKPSA-N 348.659 8.664 0 1 EKAF COc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1C 587054652 PVTUMBCLQASPCN-SREVYHEPSA-N 333.218 5.357 0 1 EKAF Cc1nccc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587164522 SXSFYQTXFYWFHC-RVDMUPIBSA-N 335.407 5.056 0 1 EKAF CCCCOc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587277805 DAMGRCCTWPSYRR-UHFFFAOYSA-N 328.795 5.496 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(N4CCCC4)nc3)n2)c1 587921499 ZZJFFBFMUQOSPW-UHFFFAOYSA-N 341.867 5.126 0 1 EKAF Fc1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1F 587922441 QTAWUKICTBXHBP-UHFFFAOYSA-N 338.382 5.546 0 1 EKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3ccccc3cc2[nH]1 587926684 KVSSJGWWSLWSFV-KRWDZBQOSA-N 346.430 5.275 0 1 EKAF CC/C=C/CCCCCCCCCCCCCc1cccc(O)c1 15270280 JPHAKEDNYULIKY-ONEGZZNKSA-N 330.556 7.582 0 1 EKAF Oc1ccc(C2C[C@@H](c3ccccc3)C[C@@H](c3ccccc3)C2)cc1 18210429 XSJLXZULZZXNJI-AIZNXBIQSA-N 328.455 6.227 0 1 EKAF in-vitro C(=C/c1ccc(OCCNCc2ccccc2)cc1)\c1ccccc1 26502165 JULVVHLOSOWTHY-VAWYXSNFSA-N 329.443 5.026 0 1 EKAF in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCc1ccccc1 27997239 NFBPQNHENSZJKB-YEFHWUCQSA-N 326.480 6.149 0 1 EKAF C/C(=C\CCc1ccoc1)CC(=O)C[C@@H](C)C/C=C/c1ccoc1 38883160 PRWULBSJBJQBSA-PPCNIVGDSA-N 326.436 5.840 0 1 EKAF C[C@@H](CNCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72185020 CCNNHXSQVRPFSF-KRWDZBQOSA-N 342.442 5.388 0 1 EKAF COc1cccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)c1 82162380 LNMHJOHWKLHGHE-UHFFFAOYSA-N 339.483 5.169 0 1 EKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(C)o2)c1 82167440 DBIDVDXBUWOQDZ-UHFFFAOYSA-N 348.450 5.160 0 1 EKAF CCCCCc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](C1CCCCC1)N2 95588618 ZNNNHMQVUHNXQO-WTIAFYNJSA-N 341.539 6.261 0 1 EKAF Brc1ccc2c(c1)Nc1nc3ccccc3cc1S2 96905923 KOSXBUMPJHNMAH-UHFFFAOYSA-N 329.222 5.206 0 1 EKAF CC[C@H](C)CCC[C@@](C)(CCCC(C)C)[C@@H]1C=C(C)CC[C@@H]1C(C)C 102191730 BSFSYBSOZFHRHQ-KVZCNWPJSA-N 348.659 8.664 0 1 EKAF C[C@H]1[C@H](C)CCC[C@H]1NCc1coc(-c2cccc3ccccc23)n1 299810881 SGASSMMBMACOAI-VWKPWSFCSA-N 334.463 5.409 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)cc(-c2ccccc2O)n1 473133716 BWYUGHWYIKWGJJ-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF Cc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Cl 587098121 RKAZSCBKUVZHDY-SNVBAGLBSA-N 338.760 5.695 0 1 EKAF Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587506809 PHRZPCDBNOIAFH-SFHVURJKSA-N 326.823 5.234 0 1 EKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629632 FSMVFLXUVKIMFU-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2cccc(F)c12 587632095 FPGDAQRIKDKBHU-UHFFFAOYSA-N 332.216 5.607 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 587779879 IEMQHDUAWDLJBV-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF COc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)c(OC)c1 587920036 AQLXMWVRNGDLQR-UHFFFAOYSA-N 331.824 5.148 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 587921555 FNHMVAFPVPJNAV-UHFFFAOYSA-N 341.304 5.774 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356614581 ABMHRZWSHXQICN-JBPLPALLSA-N 348.527 5.046 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@H]12 2356634851 PDJCFUBZSXJGDN-YUMYIRISSA-N 348.527 5.047 0 1 EKAF CSc1ccc(CN2CC[C@](C)(Oc3cccc(Cl)c3)C2)cc1 61930730 AVWIICFPPISDNI-IBGZPJMESA-N 347.911 5.105 0 3 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]23Oc2ccc(O)c(Cl)c2C[C@@]13C 14858173 WTHNHDFNKOVPBI-KSXBUPQJSA-N 348.914 5.982 0 1 EKAF biogenic CC(C)(C)C1CCC(c2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 29040547 DGGBFXCHUUBZED-UHFFFAOYSA-N 340.389 5.781 0 1 EKAF Nc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCC2 73196665 VRGOOLXPHWCIIA-UHFFFAOYSA-N 339.442 5.154 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 95570997 NURLUZSESLQRGG-KGLIPLIRSA-N 336.866 5.964 0 1 EKAF CCOC(=O)c1ccc([C@H]2C[C@@H]2c2ccc3c(c2)[C@@H]2CC[C@@H]3C2)cc1 100791264 JXPKDVUVFSQUEH-XWOARTFESA-N 332.443 5.499 0 1 EKAF COc1cc2nc(C)c(-c3c(C)cc(C)cc3C)c(O)c2cc1Cl 299827193 NQQHPBDLSQFYCJ-UHFFFAOYSA-N 341.838 5.503 0 1 EKAF Clc1ccc(-c2cc(-c3nc4cccnc4[nH]3)ccc2Cl)cc1 587047062 ADXDPQITLRFKJS-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587171738 RWEZMCLPTYHVQE-ZDUSSCGKSA-N 342.483 5.895 0 1 EKAF C[C@@H](c1ccccc1)c1cnc2cccc3c2c1-c1ccccc1C3=O 587207172 JHWOQOQSOIRDIH-HNNXBMFYSA-N 335.406 5.598 0 1 EKAF CC1(c2nc3cccc4c3c(c2Cc2ccccc2)CC4)CCCCC1 587213565 KDEFLUYEAZMDRW-UHFFFAOYSA-N 341.498 6.146 0 1 EKAF COc1cccc(-c2cc(C=C(C)C)nc3c2oc2ccccc23)c1 587364914 GENIJZJKDWKGCX-UHFFFAOYSA-N 329.399 6.080 0 1 EKAF CCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587366782 ZTOVGWZUEQZDNU-UHFFFAOYSA-N 331.415 5.918 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CC=C[C@H]32)c1 587367767 UNTGTTPKGOZBJY-JKSUJKDBSA-N 339.394 5.797 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)CC1(CCCCCCCCCCC1)O2 587408539 OQZFFCOJAGLIOT-UHFFFAOYSA-N 329.484 5.586 0 1 EKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523271 KORSRTNGRYJCEJ-AWRGLXIESA-N 346.470 5.401 0 1 EKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631220 JAHYFQNDJKJTHC-VIFPVBQESA-N 340.826 5.109 0 1 EKAF CCCc1c(-c2ccc(Cl)cc2)[nH]c2ccc([C@H](C)CC)cc12 587640305 HBCLMDFNCGOFKQ-CQSZACIVSA-N 325.883 6.954 0 1 EKAF COc1cccc(OCc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)c1 587782745 XKYPUKIBNHCKES-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc3c(c2[nH]1)CCCC3 587935243 RGXRROGYHBQXMO-UHFFFAOYSA-N 344.458 5.023 0 1 EKAF O=C(C[C@H](C(=O)c1ccsc1)c1ccccc1)c1cccs1 1861818 KCZYRYZZEYSWFJ-HNNXBMFYSA-N 326.442 5.049 0 1 EKAF COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2s1 5241938 UGEAZCDVIIZTLM-UHFFFAOYSA-N 339.460 5.460 0 1 EKAF C[C@@H]1c2ccsc2CCN1C(=O)Nc1c(Cl)cccc1Cl 197793044 ROIOPSYYWSWHLP-SECBINFHSA-N 341.263 5.206 0 1 EKAF Cc1ccc2c(ccc3nc([C@@H](C)SCc4ccccc4)[nH]c32)n1 586962683 UPJIOMRQSOGARH-CQSZACIVSA-N 333.460 5.414 0 1 EKAF Cc1c(Cl)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028028 MUTSWHSYUXRVPK-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587150740 DYPGBWIQIKQRGJ-MNOVXSKESA-N 338.279 5.131 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CCC(C)C)CC2=O 587477371 BZGUEJNXVOSEHH-BTYIYWSLSA-N 330.468 5.285 0 1 EKAF O=C(c1cc2ccccc2o1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633754 KZINOBJRCQIIFZ-UHFFFAOYSA-N 347.267 5.303 0 1 EKAF Fc1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1F 587922403 OIZLXDRYBQGHSO-UHFFFAOYSA-N 339.769 5.472 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2C12CCC(OC1CCCC1)CC2 963258596 PBNJBFXSCFYLOR-FBHNJWQJSA-N 341.539 5.440 0 1 EKAF O=C1C=CC[C@H](c2ccc(CCc3ccccc3)c3ccccc23)O1 1772634830 ZTINOSONRJANKQ-JOCHJYFZSA-N 328.411 5.169 0 1 EKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(F)ccc2F)OC1=O 1857754912 CHUZQZHDBAVWSO-WIRORWGXSA-N 346.417 5.962 0 1 EKAF CC(=O)OCC=C(C)CCC=C(C)CC[C@@H]1C(C)=CCCC1(C)C 2356543539 PQYWBNNJEQNUKJ-OAQYLSRUSA-N 332.528 6.385 0 1 EKAF COc1ccc(-c2c(-c3ccccc3OC)oc3ccccc23)cn1 36388957 GPAFAWYOVODGQU-UHFFFAOYSA-N 331.371 5.179 0 3 EKAF Fc1cc(F)c(-c2nc3ccccc3nc2-c2ccccc2)c(F)c1 206052418 WJMHQAVKJKBIJH-UHFFFAOYSA-N 336.316 5.381 0 3 EKAF Cc1c(-c2ccccc2)c2c(n1-c1ccc(C(=O)O)cc1)CCCC2 3893576 IOEKAVMWSGEKJM-UHFFFAOYSA-N 331.415 5.030 0 1 EKAF C[C@H]1OC[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@@H]21 34802880 DQKAGLFEDMICDT-UUYHGWPESA-N 347.502 5.725 0 1 EKAF C=C/C(C)=C\C[C@@H]1[C@@]2(C)CCC[C@](C)(COC(C)=O)[C@@H]2CC[C@@]1(C)O 238745768 ODZIXXROBXQYOH-KSIYNMNTSA-N 348.527 5.046 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 586882026 RHEWDDGRXRZWTL-UHFFFAOYSA-N 328.843 5.580 0 1 EKAF Cc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1F 587083422 SWWBEYNNHBUYJE-UHFFFAOYSA-N 346.192 5.532 0 1 EKAF CCCCC/C=C\CC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479294 HSEVZGZPQPHGCX-QWGSZXSUSA-N 330.468 5.595 0 1 EKAF C[C@]1(c2c[nH]c3cc(F)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587502381 CCZCFTCLLRZYSB-JOCHJYFZSA-N 349.405 5.066 0 1 EKAF CCc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587523854 ILFDAXJWAKIFIO-OAQYLSRUSA-N 345.442 5.316 0 1 EKAF Cc1ccc2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587531929 IXCOIPHIWMEUBS-OAQYLSRUSA-N 346.426 5.635 0 1 EKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 587636986 RNNRNDSHDGGCIF-MRXNPFEDSA-N 332.419 5.078 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 587933902 ZHPSTUZMUZGYFI-FQEVSTJZSA-N 348.833 5.405 0 1 EKAF Fc1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1C(F)(F)F 587962331 XOPJDVZLEHHULZ-RYUDHWBXSA-N 334.316 5.067 0 1 EKAF C[C@@H](Oc1cc(-c2ccccc2)cnc1N)c1cc(F)ccc1Cl 1857577215 JEUYCARVAHECFG-GFCCVEGCSA-N 342.801 5.263 0 1 EKAF C1=C2/CC[C@H](Sc3ccccc3)[C@H]2C2(CCCCC/1)OCCO2 3589378 IFZRGLLWHBHOTE-WNPVJCIISA-N 330.493 5.191 0 1 EKAF CN1[C@H]2CC[C@@H]1[C@@H](CCc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 13742501 KCICRXGLELYHLS-FNAHDJPLSA-N 339.910 5.539 0 1 EKAF COc1ccc2nc(-c3ccccc3OCc3ccccc3)sc2c1 13831168 MKIQDTJDBXKKGU-UHFFFAOYSA-N 347.439 5.551 0 1 EKAF CCNc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC)c1-2 26177711 DUKKUETTYYTCOP-JOCHJYFZSA-N 331.415 5.276 0 1 EKAF Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1 28824786 ADHZHPOKTRHZGT-IFIJOSMWSA-N 347.384 5.071 0 1 EKAF CC1=CC(C)(C)Nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 45261063 HUHMCZYBKVFXNJ-UHFFFAOYSA-N 347.380 5.892 0 1 EKAF Cn1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccccc21 95563319 FGWOCLZHKUNUFA-NRFANRHFSA-N 347.849 5.428 0 1 EKAF O[C@H](c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1 169312333 GOSGVZPGWPVDGF-JOCHJYFZSA-N 329.374 5.123 0 1 EKAF FC1(F)CCC(C(C[C@@H]2CCCCN2)C2CCC(F)(F)CC2)CC1 220320575 ODZQWWGZCHXVIV-INIZCTEOSA-N 349.456 5.786 0 1 EKAF CCc1nc2ccc(Cl)cc2n1CCCCOc1ccccc1 473249061 SKYWWHASIXGYFX-UHFFFAOYSA-N 328.843 5.111 0 1 EKAF Fc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1F 587076685 LSGPLKSHDKRCJQ-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Cc1ccc2c3c(cc(/C=C\c4ccco4)nc13)-c1ccccc1C2=O 587100527 CAHJUJHTSTTXEX-KTKRTIGZSA-N 337.378 5.518 0 1 EKAF Cc1cc(Br)c(-c2nc3ccc(C)c(C)c3[nH]2)cc1F 587137610 CNSZBZTULDENRZ-UHFFFAOYSA-N 333.204 5.057 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587170626 RVVKZQSWFHHLDL-SECBINFHSA-N 338.810 5.390 0 1 EKAF FC(F)(F)c1cccc(/C=C/c2cc3c4c(cccc4n2)CC3)c1 587210229 KMBSCQQQNRSTTJ-JXMROGBWSA-N 325.333 5.523 0 1 EKAF O=C(c1cccc(C(F)(F)F)c1F)c1coc2ccc(Cl)cc12 587277818 DKVQDEGENAXBCR-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF Cc1cccn2cc(Cc3nc(-c4cccc(Cl)c4)cs3)nc12 587920727 NTYKRFHZWNARCK-UHFFFAOYSA-N 339.851 5.010 0 1 EKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(C)c2[nH]1 587925421 ABXYMGUOJLMBNT-AWEZNQCLSA-N 344.842 5.084 0 1 EKAF CCCC[C@H](C)C[C@@]1(CC)C=C(CC)[C@]2(C=C(CC(C)C)C(=O)O2)O1 2356804997 ZNEOQZOOEAMULR-HSQYWUDLSA-N 348.527 5.944 0 1 EKAF COc1ccc2c(c1)CCC[C@H]2CCCCN1CCCCC1(C)C 13678043 HEOZYMCFSRFTKA-GOSISDBHSA-N 329.528 5.550 0 1 EKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1C 13742203 AMPNWWPDKXOPAY-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF C[C@@]1(c2cccc(/C=C/c3ccc(Cl)cc3)c2)CCSC(N)=N1 96174280 HNANTVXZSCPDJH-UEKDZROGSA-N 342.895 5.177 0 1 EKAF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1ccccc1Cl)C2 100834375 TWLKFPACEDMNGQ-XGHQBKJUSA-N 341.882 5.071 0 1 EKAF CCCCC/C=C/C/C=C/C[C@@H](O)/C=C/C=C/CCCC(=O)OC 238760023 IJELSWIHFPVLQK-RQGSWUKISA-N 334.500 5.276 0 1 EKAF CCNC(=O)OCCCCCCCCCCCCCCCC(=O)O 299831947 PDTGJRSTCCDBKT-UHFFFAOYSA-N 343.508 5.279 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(C)=O)c2c1 587641113 JXBDKQYSQIHDJN-QMMMGPOBSA-N 333.300 5.538 0 1 EKAF Clc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Cl 587781420 UYMNAAKJRNGICP-DAXSKMNVSA-N 333.218 5.100 0 1 EKAF CC(C)CC1(CC(C)C)c2ccsc2CCN1Cc1cccn1C 962398988 OTVBKSQUORQLRK-UHFFFAOYSA-N 344.568 5.432 0 1 EKAF c1ccc(-c2ccc3c(c2)CCN[C@@]32CCCCc3ccccc32)cc1 962674822 YXGLHXYJUCRCDC-RUZDIDTESA-N 339.482 5.469 0 1 EKAF C=C(c1ccc(OC)cc1)c1cc(C(F)(F)F)nc2ccccc12 1772637423 UYUDQATZMGXFQX-UHFFFAOYSA-N 329.321 5.324 0 1 EKAF O=C(Nc1cccc2nc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2 1857633541 AJQAEDSSVIPOSJ-UHFFFAOYSA-N 340.854 5.043 0 1 EKAF Cc1ccccc1-c1nc(-c2ccccn2)c(-c2ccccc2C)s1 16728 ZQRYCUMPTSGNLB-UHFFFAOYSA-N 342.467 6.156 0 1 EKAF Brc1ccc2c(c1)[C@H]1CCc3c([nH]c4ccccc34)[C@H]1N2 1858504 WYIMSVWJWNMLEY-ACJLOTCBSA-N 339.236 5.127 0 1 EKAF CC(C)c1ccc(Nc2c(-c3cccs3)nc3cnccn23)cc1 3896523 OPIYHJHMSMMPFZ-UHFFFAOYSA-N 334.448 5.325 0 1 EKAF COc1ccc2c(c1)CCC[C@H]2CCCCCN1CCCC(C)(C)C1 13781292 BECJZVZTAGLHBZ-LJQANCHMSA-N 343.555 5.798 0 1 EKAF O=C(O)c1ccc2c(c1)nc(C1CCCCC1)n2C1CCCCC1 28097686 PXMHFWMADFXGJC-UHFFFAOYSA-N 326.440 5.287 0 1 EKAF Cc1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28130471 BZXNMOGFASJVRO-PSWAGMNNSA-N 340.470 5.412 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CNC)C[C@@H]21 28769941 AMGLDKXMJVOFFO-KZNAEPCWSA-N 345.527 5.015 0 1 EKAF O=C(Nc1cccc(-c2ccccc2)c1)c1ccccc1C(F)(F)F 64746657 GASNDSAXXYXEMO-UHFFFAOYSA-N 341.332 5.625 0 1 EKAF in-vitro F[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl 72186291 KJQXERBHJYXZPI-GOSISDBHSA-N 332.205 5.650 0 1 EKAF Cc1ccccc1Nc1nc2cc(C(=O)O)ccc2c2sccc12 167754077 FUXNHCZAHDXXQZ-UHFFFAOYSA-N 334.400 5.200 0 1 EKAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169368123 BKJINAIBPPZCQQ-XTFOIHBHSA-N 348.527 5.354 0 1 EKAF CCCC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCC1 586877708 LGOWTTGZCDGXMH-UHFFFAOYSA-N 332.753 5.337 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892044 STISIBHNPLIVBT-AMIZOPFISA-N 347.178 5.248 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153547 UILXWNGGTIKVIF-UHFFFAOYSA-N 344.433 6.334 0 1 EKAF Cc1ccnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587164313 PWYGDOJRTVFBJX-PTNGSMBKSA-N 335.407 5.056 0 1 EKAF O=C1C[C@]2(CCC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587524790 NBDZQKKOUCUNIG-YADARESESA-N 346.470 5.627 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587564334 JEMCJLYZNOXKPT-UHFFFAOYSA-N 348.368 5.247 0 1 EKAF O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632885 MCSQJKGIFSLXPB-UHFFFAOYSA-N 349.792 5.858 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(F)c(F)c3)c2c1 587640877 FQGHBJRMOPAJTQ-NSHDSACASA-N 342.389 5.520 0 1 EKAF Clc1cc(Cl)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969514 ULVHSKJIMUNMCB-CMDGGOBGSA-N 339.225 6.193 0 1 EKAF CC[C@@H]1CCC[C@@H]([C@H]2c3ccsc3CCN2Cc2cccn2C)C1 962373389 LPZSJNGBVHMPNT-LZJOCLMNSA-N 342.552 5.402 0 1 EKAF CCCCOP(=O)(OCCCC)Oc1cc(C)c(C)c(C)c1 1772583894 SIPNNCPULHSYDS-UHFFFAOYSA-N 328.389 5.732 0 1 EKAF CCCCCC=CCCCCCCCCCCc1cc(O)cc(O)c1 2356462155 HUHFXXDYKXJMCS-UHFFFAOYSA-N 346.555 7.288 0 1 EKAF COC(=O)[C@@H]1CC[C@]2(C)C(C)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 2356676195 OLSXWVKJHIFZKA-ZSXPUABSSA-N 330.468 5.164 0 1 EKAF CC(=CCc1cc(O)c(C)cc1O)CCC=C(C)C[C@@H](O)CC(C)C 2356737318 JUHGRLPYQZPVAA-FQEVSTJZSA-N 346.511 5.419 0 1 EKAF CC(C)(C)c1ccc(OC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 3124603 RDRNUUZAMUJNKP-UHFFFAOYSA-N 342.279 5.020 0 1 EKAF biogenic O=C(Nc1ccc(Cl)cc1)N1CCCC12C1CC3CC(C1)CC2C3 3637384 GQFGGBPSBFIKSB-UHFFFAOYSA-N 344.886 5.163 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(CC(=O)O)c2c1 3746066 WUFWFXNODJTLMC-LBPRGKRZSA-N 325.383 5.115 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 5601600 FSRTVMCHXYGCQF-XGTXPGHHSA-N 326.480 5.032 0 1 EKAF COc1cccc2c1CCC[C@H]2CCCCN1CCCC(C)(C)C1 13781286 WEUUSZNKIJMTMI-GOSISDBHSA-N 329.528 5.407 0 1 EKAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21 13860665 VJEWIKPUMZOACV-JOCHJYFZSA-N 347.845 5.460 0 1 EKAF CCC(=C(c1ccccc1)c1ccccc1)c1cccc(OC(C)=O)c1 26017204 NTHFEQDCMKYWPZ-UHFFFAOYSA-N 342.438 5.981 0 1 EKAF CC(C)=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 28765634 KEABAXCKLRPQHZ-UHFFFAOYSA-N 338.838 5.415 0 1 EKAF CC1(C)C(C(=O)c2cn(CCc3ccncc3)c3ccccc23)C1(C)C 35790247 VJRKAFPJRKTWQV-UHFFFAOYSA-N 346.474 5.144 0 1 EKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(C(C)C)cc2)cc1 40864379 KVQWSAAUMHUOKQ-QFIPXVFZSA-N 334.463 5.525 0 1 EKAF Sc1nnc(-c2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 43013413 DBDVLQUDPVTCNM-UHFFFAOYSA-N 345.427 5.015 0 1 EKAF Cc1cc(=O)c(-c2cccc(Oc3ccc(Cl)cc3)c2)c(C)[nH]1 45195310 RCFUYMMQUOJABR-UHFFFAOYSA-N 325.795 5.104 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@@](C)(CCC=C(C)C)O2 95577244 PCLLEWWERMTJCL-LHSJRXKWSA-N 346.467 5.157 0 1 EKAF CC(C)(C)Cc1csc(N)c1C(=O)c1cccc(C(F)(F)F)c1 103229448 HSYROQSSEAWKOV-UHFFFAOYSA-N 341.398 5.169 0 1 EKAF CC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145965 XPYWQHJLTIKHHW-UHFFFAOYSA-N 344.389 5.162 0 1 EKAF CCCCCCc1ccc(O)c(-c2cc3c4c(cccc4n2)CC3)c1 587216172 UZADZDGFMLGUIE-UHFFFAOYSA-N 331.459 5.829 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)c1 587233199 KKTDBZPKSPCACZ-UHFFFAOYSA-N 327.431 5.555 0 1 EKAF Nc1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc2ccccc12 587253662 GDGZSUHVQKBXEC-UHFFFAOYSA-N 328.202 5.272 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H](c3ccccc3)C1)O2 587408989 SIMUBPSPUPJHMW-JTSKRJEESA-N 335.447 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)oc3ccccc13)CC2=O 587481095 MJIXWJJNXORHRB-IBGZPJMESA-N 336.387 5.106 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccccc3)C1)CC2=O 587485318 UPHZUNWCJQTUOI-AOMKIAJQSA-N 336.431 5.016 0 1 EKAF C[C@]1(c2cccc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525949 UJDBIUGGGCSCGU-XMMPIXPASA-N 346.470 5.325 0 1 EKAF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587629823 JJXYZQTXHUHGCA-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccncc2)cc1 587632994 VEPLCVJWVFXGLK-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2Sc2ccccc2)cc1 587634852 UODUQJPZPBHVLN-UHFFFAOYSA-N 337.394 6.264 0 1 EKAF c1ccc(Oc2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1 587961479 RMEZNQMWFRBITP-PXNSSMCTSA-N 340.426 5.701 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCN2CCC[C@@H](C)C2)cc1 1857536483 NABGTSWKHZDURR-LJQANCHMSA-N 331.544 5.655 0 1 EKAF C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]([C@@H](C)OCc1ccccc1)SC2(C)C 6003588 ULRUJYAJIOLCPB-POGZOPGASA-N 334.525 5.265 0 1 EKAF CC(C)c1ccc(O[C@@](C)(C(=O)O)[C@H](C)c2ccc(Cl)cc2)cc1 13604908 XNPGIRCXGHDZNF-JLTOFOAXSA-N 346.854 5.489 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(C)O)C[C@@]12CS2 15956909 YQPXGHUOOLIGIF-RLSBACKTSA-N 348.596 5.512 0 1 EKAF biogenic C[C@@H]1CC(=O)[C@H]2C(=Nc3ccccc3S[C@H]2c2ccc(F)cc2)C1 18084848 IEBXVUYCNGUPMQ-KNMUDHKVSA-N 339.435 5.360 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(C)c(C)c(C)c(C)c2c1 26382105 QSSZZVTXNAEEGF-WYMLVPIESA-N 344.454 6.332 0 1 EKAF O=C(O)CC1=C/C(=C\c2ccc3ccccc3c2)c2ccc(F)cc21 40848277 BLDZBZMGSVOARQ-LICLKQGHSA-N 330.358 5.391 0 1 EKAF CCCCC[C@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@]1(O)C2 85547649 KVODGEBXIXGZHI-FQULXSMESA-N 348.571 5.313 0 1 EKAF biogenic,in-vitro CC(C)CCC[C@@H](C)CCC[C@@H](C)CCOc1ccc(C(=O)O)cc1 169336662 WERASHDCYFCSIE-RTBURBONSA-N 348.527 6.423 0 1 EKAF CCCCCC[C@H](OC)[C@H](C)CCCCCCCCCC(=O)OC 238745139 OBCWEULYYNZUFM-UXHICEINSA-N 342.564 6.292 0 1 EKAF CC(=O)OCC1=CCCC(C)=CCC[C@@]2(C)CC[C@@](C(C)C)(C=C1)O2 299806814 VJOLPTVYFWUITI-FCHUYYIVSA-N 346.511 5.516 0 1 EKAF CNc1cc(Cl)ccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587066507 CTNWZJXEQKVEQX-UHFFFAOYSA-N 326.614 5.232 0 1 EKAF Cc1ccc(NC2(c3nc4cc(F)c(F)cc4[nH]3)CCCC2)cc1 587237565 UETSISFPCITYAQ-UHFFFAOYSA-N 327.378 5.031 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587241247 AARBCPRZUQJCML-UHFFFAOYSA-N 349.821 5.641 0 1 EKAF O=C(c1coc2ccccc12)C1c2ccccc2Oc2ccccc21 587280961 KYAWWOOPTYZZKS-UHFFFAOYSA-N 326.351 5.553 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C)C3)c1 587367856 YFXGBLZEMJEVGV-CQSZACIVSA-N 343.426 5.781 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C1CCCCC1)O2 587405953 OOXBSMQQIWIOBJ-NRFANRHFSA-N 335.447 5.331 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1Cl)CC2=O 587468710 ZBVKKZNAYBDZPL-LJQANCHMSA-N 348.801 5.018 0 1 EKAF CCCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531098 JPKKBUSTYTWQGT-NRFANRHFSA-N 340.488 5.460 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3F)c2c1 587641011 ICQWHGBHHVBMKL-MRXNPFEDSA-N 343.445 7.155 0 1 EKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587643178 ZKXUQTKINVLFFI-GFCCVEGCSA-N 346.301 7.218 0 1 EKAF Cc1ccc(C)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587956360 YHOKFLJEYMOCSN-FQEVSTJZSA-N 326.443 5.554 0 1 EKAF CC1(C)O[C@@H](C(F)(F)F)Nc2ccc(-c3cccc(Cl)c3)cc21 13439581 WCLGFCXIOBIRSU-HNNXBMFYSA-N 341.760 5.573 0 1 EKAF O=C(CCCCCCSc1ccc2ccccc2c1)c1ncco1 13587172 VBLCYAZNRMVIST-UHFFFAOYSA-N 339.460 5.753 0 1 EKAF O=C(O)CCCCCC/C=C\CCOCCCCCCCCCO 13587467 DZLMCCCCGLDKND-POHAHGRESA-N 342.520 5.098 0 1 EKAF O=C(O)CCCCCCCCC/C=C/C=C/[C@H](O)CC1CCCC1 26578662 NJGNZPNARXXPQG-VSSPOVJDSA-N 336.516 5.636 0 1 EKAF CCCC(CCC)n1ccc2cc(-c3ccc(C(=O)O)cc3)ccc21 29345408 USRLFOQTYRSJLQ-UHFFFAOYSA-N 335.447 6.148 0 1 EKAF Cc1ccc([C@@H](C)NCc2coc(-c3cccc4ccccc34)n2)cc1 72101660 GZKDNINPOFJXQO-QGZVFWFLSA-N 342.442 5.654 0 1 EKAF COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)cc1OC 72139418 TXTLCRIBOQQTCY-HIFRSBDPSA-N 333.431 5.227 0 1 EKAF CC(C)(C)/C=C/c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1 84703997 DEQQENRRDZKAGR-OUKQBFOZSA-N 335.403 5.479 0 1 EKAF Cc1cc(C)c(S(=O)(=O)c2ccc(C3CCCCC3)cc2)c(C)c1 95596872 AZAXUYOBTYALBU-UHFFFAOYSA-N 342.504 5.492 0 1 EKAF CC(C)(C)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2n1 587074007 PMSKOOBIGSYXLJ-UHFFFAOYSA-N 339.870 5.379 0 1 EKAF Fc1c(OC(F)(F)F)cccc1-c1cc2c3c(cccc3n1)CC2 587210218 KEXAZTUJWMLUMR-UHFFFAOYSA-N 333.284 5.038 0 1 EKAF O=C1C[C@@H](c2cc(F)cc(F)c2Cl)Oc2c1ccc1c2CCCC1 587506156 MQLFZFCGECMBPC-KRWDZBQOSA-N 348.776 5.204 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)cc(Cl)c3)c2c1 587641210 LHEZPLVIHZCRLV-NSHDSACASA-N 332.274 6.964 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cnn(CC)c3)c2c1 587643008 QRYPCMYZWXGMHE-NSHDSACASA-N 345.393 5.066 0 1 EKAF COc1ccc2cc(-c3nc(-c4ccc(F)cc4)cs3)ccc2c1 587923187 UEJDCLICHRHERC-UHFFFAOYSA-N 335.403 5.778 0 1 EKAF Fc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1F 587951187 XNDTVUVQTNSTPG-UHFFFAOYSA-N 336.341 5.224 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(Br)c(O)c2[nH]1 587968736 OZFMYMJDDCCIMP-LUAWRHEFSA-N 335.245 5.181 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CC(=O)c1ccc(C)cc1 963238996 INZHBKJGERICGV-FDDCHVKYSA-N 335.491 5.140 0 1 EKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccco3)n2)c1 1857541617 WRJDBSWYIJTWRI-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)(C)C)n1 11821474 PHFRDVRIYGMOQT-NRFANRHFSA-N 333.479 5.017 0 3 EKAF S=c1sscc1N1CCSc2ssc(=S)c21 1657674 YMPRJLUPPXRQIH-UHFFFAOYSA-N 339.604 5.635 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 13383632 WJQSHJRCYIMMDH-CKJXQJPGSA-N 330.468 5.063 0 1 EKAF CCOC(=O)c1ccc(OCCCCCc2ccc(C)s2)cc1 27891367 KYPGUJKICRJHDT-UHFFFAOYSA-N 332.465 5.025 0 1 EKAF O=C(Nc1ccc(-c2ccccn2)cc1)c1ccc(C(F)(F)F)cc1 38156659 KQIDEDJHNOBDNP-UHFFFAOYSA-N 342.320 5.020 0 1 EKAF CN(CC[C@@](C)(O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 45358864 ITEHTJWDXLSLGS-XMMPIXPASA-N 345.486 5.083 0 1 EKAF C[C@@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1 72118766 PMNFSAGLIMRJAD-QHCPKHFHSA-N 343.426 5.616 0 1 EKAF c1ccc2cc(-c3nsc(-c4ccc5ccccc5c4)n3)ccc2c1 82158262 VXBICCDUTZYIMD-UHFFFAOYSA-N 338.435 6.179 0 1 EKAF c1ccc2c(-c3nc4cnccn4c3NC3CCCCC3)cccc2c1 95563945 KWMGGDYGRZPIBZ-UHFFFAOYSA-N 342.446 5.294 0 1 EKAF C/C1=C/C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@@H](O)C(C)(C)CCC1 169692866 JRSLQKPYZJDQRG-JCJJTPSCSA-N 342.479 5.066 0 1 EKAF CCOc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1 299835283 CYMDYEBMOBDWLH-UHFFFAOYSA-N 348.398 5.043 0 1 EKAF COc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)c(Cl)c2)c1 587052008 JHOKVGOQFXWCPH-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 587070849 XSOONIRNYAILLV-NSHDSACASA-N 330.790 5.040 0 1 EKAF CCC(CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349947 CYEASWXMRDXTII-PZJWPPBQSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CCC)c1ccccc1)CC2=O 587479432 DIQNPCHALMHMDM-IIBYNOLFSA-N 338.447 5.262 0 1 EKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624057 DKQRLWRDUDXBEI-UHFFFAOYSA-N 339.744 6.004 0 1 EKAF Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587628335 KVYCYOFNIYMXTH-UHFFFAOYSA-N 342.628 6.166 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(F)cc3)c2c1 587642470 NVASTUTZMQZXCZ-CYBMUJFWSA-N 338.426 5.059 0 1 EKAF CCCOc1cccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962663041 NGAJCWXWNPGADS-DEOSSOPVSA-N 343.470 5.378 0 1 EKAF CCCCC(CCCC)[C@]1(C)NCCc2c(OC)ccc(Cl)c21 963268909 AZSNXGNBAZONJG-FQEVSTJZSA-N 337.935 5.706 0 1 EKAF c1ccc([C@@H](OCCCc2cnc[nH]2)c2ccc3ccccc3c2)cc1 1772602239 QPBWYJPJLYSGSG-HSZRJFAPSA-N 342.442 5.302 0 1 EKAF c1ccc(-c2c[nH]cc2[C@@H](c2cccc3ccccc23)n2ccnc2)cc1 5974742 GUDIQGQWPMGUDJ-XMMPIXPASA-N 349.437 5.669 0 1 EKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1 28350023 JWPYMHAYISNKIC-UHFFFAOYSA-N 330.431 5.298 0 1 EKAF in-vivo CCCCC1=C(Cl)c2ccc(Cl)cc2[P@](=O)(OCC)O1 49071330 ZVVMTSCKKVHIME-FQEVSTJZSA-N 335.167 5.323 0 1 EKAF C(=C/c1n[nH]c2cc(-c3ccnc4[nH]ccc34)ccc12)\c1ccccc1 167046835 ZSGPFARIDZROPR-RMKNXTFCSA-N 336.398 5.277 0 1 EKAF CC(C)(C)c1ccc2nc(CCCCCCCCCCCO)[nH]c2n1 586894601 NXJDMGGQXVGDKD-UHFFFAOYSA-N 345.531 5.301 0 1 EKAF Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1Cl 587109715 MLTKUPPOCAQZTH-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(C)(C)C)c1)CC2=O 587484545 SSKMSMWLTJSFIK-HXUWFJFHSA-N 338.447 5.349 0 1 EKAF O=C1C[C@]2(CC[C@@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587527364 UGJFIRPLWWIPLR-MHECFPHRSA-N 346.470 5.312 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccncc3)c2c1 587644071 MJHMONRMOKQVMO-QGZVFWFLSA-N 340.470 6.719 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1 587923186 UDPXDASMJOIEIS-UHFFFAOYSA-N 331.415 6.283 0 1 EKAF C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C=Cc3ccccc3)cc1OC2(C)C 2356420687 KCNFZTIIENBEPU-NSISKUIASA-N 348.486 6.253 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 2356577378 BYNSHSWWZXSBTC-PYXMZCFHSA-N 346.511 5.060 0 1 EKAF C=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28765454 LHPFIAPAKBTEHF-UHFFFAOYSA-N 345.229 5.288 0 1 EKAF C[C@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5ccccc5[C@H]4CC[C@@]32C)OC1=O 40917771 YMZPSVHMSDTSBG-FBIKERAHSA-N 338.491 5.255 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC1CC1 83429758 GLGAUBPACOBAMV-MLFLMRJSSA-N 343.555 6.411 0 1 EKAF Cc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84726829 UQVXMRDUXLDHHY-DEOSSOPVSA-N 349.433 6.077 0 1 EKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cc(F)cc(F)c1 95586426 BKQOACXPMXWKTP-UHFFFAOYSA-N 348.296 5.221 0 1 EKAF Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1CCCCc1ccccc1 100753639 SOTXRBRECFGWCR-XMSQKQJNSA-N 348.465 5.392 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@H](c3cccs3)C2)cc1 169339795 NRXLIJJQRPODDA-IBGZPJMESA-N 337.469 5.812 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)o1 586904117 ZTKUFDXTAQBQLB-UHFFFAOYSA-N 342.320 5.817 0 1 EKAF Cc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587049584 MXOJRAJBWUEVED-VXGBXAGGSA-N 331.246 5.758 0 1 EKAF CCCC[C@H](CC)c1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099416 HVFREGMSZIMRRO-INIZCTEOSA-N 343.470 6.438 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc12 587146086 YNGRJDJOSJNWMA-UHFFFAOYSA-N 334.369 5.792 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)C3)c1 587367780 VNRWUFIDGXXOCM-UHFFFAOYSA-N 329.399 5.490 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Cl)c(Cl)c1 587628072 HDCDRPUXTCUTKC-UHFFFAOYSA-N 342.628 6.166 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCCCC2)N1 587820541 PWOUESPFFKPGHS-ABAIWWIYSA-N 340.280 5.134 0 1 EKAF CCOc1ccc(OCC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944185 ZJAVRGMYDYBDSD-UHFFFAOYSA-N 343.373 5.220 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCCC1 36386662 RNMZMEKJFRVWAX-FQEVSTJZSA-N 327.516 5.155 0 3 EKAF CCCc1nc2c(C)cc(Br)cn2c1Cc1ccsc1 72119005 FEXALKNDXQXMPA-UHFFFAOYSA-N 349.297 5.010 0 3 EKAF Cc1cc(SCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13602489 BRJMQPVPYANNPC-UHFFFAOYSA-N 346.448 5.101 0 1 EKAF CC1=C(/C=C/c2cc(Nc3ccccc3)nc(N)n2)C(C)(C)CCC1 28712584 NEUBZEYVNROGOW-VAWYXSNFSA-N 334.467 5.342 0 1 EKAF O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 28826844 IDGMQHJPMVCZGQ-UHFFFAOYSA-N 345.467 5.839 0 1 EKAF in-vivo CCC/C=C/C/C=C\CCCCCCCc1cccc(O)c1C(=O)O 33831912 KAOMOVYHGLSFHQ-HTKRNXBHSA-N 344.495 6.276 0 1 EKAF biogenic,in-vitro O=C(CCCCCCc1ccccc1)c1nc(-c2cccs2)no1 40879833 RPHDPAIHZVJLBG-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@H]2c2ccccc2)CC3)c1 66079291 BJIZSNKTBYAOCG-ZXMXYHOLSA-N 347.502 5.082 0 1 EKAF COC(=O)[C@H](C)C1=CC=C(C)CC[C@H]2O[C@]2(C)CCC=C(C)CC1 253634349 RINNRXYTVAOICT-YFVAEKQCSA-N 332.484 5.126 0 1 EKAF Clc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Cl 587026833 YGMSKXGNDGIKOH-UHFFFAOYSA-N 345.254 6.265 0 1 EKAF CC(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587206495 NGDGFTNYBVRCKM-UHFFFAOYSA-N 349.389 5.316 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)cc1)CC2=O 587462839 QUNZQVSMHWCTGC-HXUWFJFHSA-N 344.838 5.269 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c(Cl)c1 587623628 KLGHZNOVHFOCFW-UHFFFAOYSA-N 347.245 5.652 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CCC3=C(CC[C@H]4C(C)(C)CCC[C@@]34C)C2)O1 2356635335 XDXYMZCWPWXFQU-CSGUBPAMSA-N 346.555 6.251 0 1 EKAF CCCCC=CCCCCCCCc1cc(OC)c(C)c(OC)c1 2356756730 HIBFQGJNHAMCHD-UHFFFAOYSA-N 332.528 6.642 0 1 EKAF O=C(O)c1ccc2c(/C=C/c3ccc4ccccc4n3)cccc2c1 13560086 KGJVOWMNLZZKMF-DHZHZOJOSA-N 325.367 5.257 0 1 EKAF O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 13729631 PHNKMPPFWKNSEZ-UHFFFAOYSA-N 349.430 5.316 0 1 EKAF CN(C)CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 13758621 ZRYMWGZUXUGIKW-UHFFFAOYSA-N 348.874 5.077 0 1 EKAF CCN(CC)CCS[C@H]1Cc2ccccc2Oc2ccccc21 27556033 ZLNOSYSAPKRDEO-FQEVSTJZSA-N 327.493 5.151 0 1 EKAF CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1 29049920 DCPQCSKZPKBKGX-UHFFFAOYSA-N 327.424 5.266 0 1 EKAF in-vivo COc1cc2c(cc1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@@H]1CC2 33832575 RRFCCVUVTGTWNN-PGRDOPGGSA-N 336.431 5.073 0 1 EKAF biogenic O=C(Nc1ccc(-c2ncccc2C(F)(F)F)cc1)c1ccccc1 38156657 ZVWJVFCCIBOKCF-UHFFFAOYSA-N 342.320 5.020 0 1 EKAF CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C=CN1c1ccccc1 52566329 LIJDRNAIBIRCOF-HXUWFJFHSA-N 347.458 5.420 0 1 EKAF Clc1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72115073 CBJMFRKVUQRZMQ-HXUWFJFHSA-N 349.865 5.139 0 1 EKAF COC(=O)c1[nH]c2c(C)cccc2c1Sc1ccc(Cl)cc1 95585865 CZCZDUVRMJSCBD-UHFFFAOYSA-N 331.824 5.068 0 1 EKAF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@H]1c1ccc(OC)cc1 100957374 NTWDBJJVUXQRGH-GHNGSUTGSA-N 341.432 5.051 0 1 EKAF C=C1OC(=O)C(CCCCCC/C=C\C/C=C\CCCCC)=C1O 238751816 QUUHAZMMSDBIJF-NQLNTKRDSA-N 332.484 6.292 0 1 EKAF FC(F)(F)c1ccc(-c2nc3ccccc3[nH]2)c(C(F)(F)F)c1 587095081 PDBATNRPRTXWJF-UHFFFAOYSA-N 330.231 5.268 0 1 EKAF CC[C@@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208220 SIFZXVCLHBYYNR-QHCPKHFHSA-N 327.427 5.351 0 1 EKAF CC(C)=C1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208804 ZWQJFXYNLNHJPU-AWEZNQCLSA-N 339.438 6.137 0 1 EKAF C[C@@]1([C@@H]2C[C@H]2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524653 PLSOVQVFLCTMRO-MZKRTTBSSA-N 332.443 5.093 0 1 EKAF CC(C)C[C@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526156 RFMQQESMELNWRT-FYYLOGMGSA-N 348.486 5.729 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(OC(F)(F)F)cc1 587629926 NXKYNWTVNHNSFJ-UHFFFAOYSA-N 343.707 5.834 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)ccc3Cl)c2c1 587643309 ZPKKSSQWUUBBAZ-NSHDSACASA-N 332.274 6.964 0 1 EKAF CCc1ccc(CC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943308 VIMMSHZIRBMCJQ-UHFFFAOYSA-N 333.903 5.777 0 1 EKAF Cc1cc(F)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587951399 ZKAFQKLQCNGBNG-VAWYXSNFSA-N 344.389 5.973 0 1 EKAF CC/C(=C\c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587966640 KAALBKYGAZYNDD-CSKARUKUSA-N 334.316 5.378 0 1 EKAF CC(C)(C)c1ccc(Cn2c(C(=O)O)cc3ccc(Cl)cc32)cc1 653884755 KRQZKCUBBRESOC-UHFFFAOYSA-N 341.838 5.339 0 1 EKAF CC(=O)O[C@@H]1OC=C2CC[C@H](C(C)=C3CCCC3(C)C)C(C)(C)[C@H]21 2356781444 IMIAJJXGLPJMII-QRVBRYPASA-N 332.484 5.369 0 1 EKAF O=C(Nc1ccccc1)Nc1ccc(Sc2cccs2)cc1 2158868 CWMGORJKBUGNAV-UHFFFAOYSA-N 326.446 5.543 0 1 EKAF CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ncc[nH]1 13472120 GIHOQYUWVGLFEE-UHFFFAOYSA-N 340.450 5.144 0 1 EKAF C[C@H]1[C@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C 14557264 AQJLJGBKBDODCH-KSEOMHKRSA-N 331.544 5.194 0 1 EKAF Cn1cc([C@H](Nc2ccccc2)c2ccccc2Cl)c2ccccc21 84687278 YRXMYKUYMUGZIR-JOCHJYFZSA-N 346.861 6.033 0 1 EKAF COc1cc(Cl)cc(/C=C/c2ccc3ccccc3c2)c1C(=O)O 95588868 KQSZZXFMEVMBHP-VQHVLOKHSA-N 338.790 5.370 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cccc(Cl)c2[nH]1 587049461 LSWWINWCOCQBQU-DTWKUNHWSA-N 337.637 5.794 0 1 EKAF CSc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060837 NTSSYOGAOXWYHX-UHFFFAOYSA-N 341.823 5.260 0 1 EKAF Clc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083112 GZYYPTHVFYPCTD-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1F 587158041 HPOYMRIOVFEDMY-UHFFFAOYSA-N 348.352 5.296 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587249742 FNFNBTABXMBQTM-UHFFFAOYSA-N 339.442 5.358 0 1 EKAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633654 IXBFKHRSDZOVRQ-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2ccc([C@@H](C)CC)cc12 587641063 DSUZIKWRNGPSJK-ZDUSSCGKSA-N 330.472 5.269 0 1 EKAF COc1ccc(C[C@@H](C)c2nc3cc4ccccc4cc3[nH]2)cc1OC 587926597 MJDZBJQMUDNYAC-CQSZACIVSA-N 346.430 5.080 0 1 EKAF Cc1cc2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc2c(C)n1 587959497 NXPXPROVMVIFPW-UHFFFAOYSA-N 327.431 5.141 0 1 EKAF COc1ccc2c(c1)C1(CCC(C)(c3ccccc3)CC1)N[C@H]1CC[C@@H]21 962990997 CSEAFXYHZULBJY-GSJMMOJRSA-N 347.502 5.272 0 1 EKAF Fc1cc(Cl)ccc1-n1cnc(Cl)c1-c1c(F)cccc1F 1772624964 JBBTUAUUOSSYGU-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H]([C@H](C)CCC=C(C)C)CCC(C)=CCC[C@@H]12 2356358608 SOAIWELMVRCOAD-GGPUMOOHSA-N 346.511 5.252 0 1 EKAF CC(=O)O[C@@H]1CC[C@](C)(O)C=C[C@@H]2CC[C@@H](C(C)C)[C@@]2(C)CC=C1C 2356794173 KZBAFHDIJTZFSN-ITBHCLRTSA-N 348.527 5.044 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3C(C)(C)CCC[C@]34CO[C@@H]2[C@H]14 6521860 UGGAILYEBCSZIV-LBDLUNCWSA-N 342.479 5.146 0 1 EKAF in-man 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FC(F)(F)Oc1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Cl 587069820 LCKQUIQHFUWZBA-UHFFFAOYSA-N 347.123 5.435 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc3scc(C)c3c1C)O2 587415158 QFWWMWNMKIBQTN-CQSZACIVSA-N 343.473 5.177 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C[C@@H](C)CCC=C(C)C)CC2=O 587478532 GKEKABOOMPHTJS-HOTGVXAUSA-N 330.468 5.451 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)c3ccccc13)CC2=O 587482696 PKHMCACKGYTCIH-JOCHJYFZSA-N 346.426 5.513 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)s1)(C(C)C)CC2=O 587495840 UWISBFPPRTUUQN-FQEVSTJZSA-N 344.476 5.231 0 1 EKAF CCCCC(CCCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526029 UUDVNMFCHFPODS-QHCPKHFHSA-N 342.523 6.286 0 1 EKAF CC(C)C[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526550 VRKVJAOJGVRFFJ-DEOSSOPVSA-N 348.486 5.558 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)c(C)cc4[nH]3)c2)c1 587933564 QQNDFWVCMHANAG-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CC(C)c1ccncc1CN1CCc2c(sc3ccc(F)cc23)C1 1772580705 YETBHUJUNNUVEL-UHFFFAOYSA-N 340.467 5.117 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)nc3c2Cc2ccccc2-3)cc1 1772641575 UUKRHSJUCDPVJA-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CCC[C@]1(C)[C@H](C)CC=C2[C@@H]3CC(C)(C)CC[C@@]3(CO)CC[C@]21C 2356400694 HFWWPLGQXNNDTF-CQASOGEESA-N 332.572 6.364 0 1 EKAF Fc1ccccc1-c1cc(Nc2ccncc2)nc(-c2ccccc2)n1 1498651 ZJKKVJPPBALCCA-UHFFFAOYSA-N 342.377 5.088 0 1 EKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 13451873 BNKPMAVKOSNGEL-UHFFFAOYSA-N 347.845 5.202 0 1 EKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1c(C)cccc1C 13742199 QUZJYSQYMXYHOB-UHFFFAOYSA-N 332.447 5.886 0 1 EKAF CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C/CCCC(=O)NCCO 27738206 OVKKNJPJQKTXIT-AZHODBKJSA-N 345.527 5.017 0 1 EKAF Cc1ccc(N(c2ccccc2)c2ccccc2CN(C)C)c(N)c1 28570186 NBVSCHGTCFRUCS-UHFFFAOYSA-N 331.463 5.109 0 1 EKAF CC(C)=Cc1c(C(C)C)nc(C(C)C)c(O)c1-c1ccc(F)cc1 28758428 DFGRXPRXTSQJST-UHFFFAOYSA-N 327.443 6.263 0 1 EKAF CNc1c(C)c(O)c2c(c1O)[C@@H](C)CC[C@@H]2[C@@H](C)CCC=C(C)C 38541725 KZZKJBOEEWEBSF-OFQRWUPVSA-N 331.500 5.811 0 1 EKAF COc1cc2c(c(OC)c1)[C@H](C)N(c1cccc3ccccc13)[C@@H](C)C2 40934188 HWSHIXIKQKOUBE-HOTGVXAUSA-N 347.458 5.369 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cccnc3)cc2)n1 49069561 XIDSDIGHYCDNCQ-UHFFFAOYSA-N 333.479 5.236 0 1 EKAF Cc1ccc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)s1 103205145 IXBMKOIKNAULKS-CQSZACIVSA-N 341.867 5.005 0 1 EKAF Clc1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 587024811 DEUMCTCIERIINI-OWOJBTEDSA-N 339.645 5.211 0 1 EKAF Clc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048325 HEKDWDHLQGNCIF-HTQZYQBOSA-N 338.625 5.189 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)c1F 587152547 PQIDPRJFKOIGFN-ZJUUUORDSA-N 339.172 5.419 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3Cc1ccccc1 587207929 OUYRHWWTMXZAJL-INIZCTEOSA-N 347.417 5.329 0 1 EKAF CC(C)Oc1ccc([C@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587211577 HOFBZNOIBPEWBY-GOSISDBHSA-N 329.443 5.199 0 1 EKAF COc1ccc2c(c1)C[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)CC2 587937923 OSMWZAHKRVWMOX-LLVKDONJSA-N 347.245 5.151 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NCC)CC[C@]4(C)[C@H]3CC[C@]12C 1772585741 QCNPUDFYJJCJJZ-NKPWUNPZSA-N 329.572 5.954 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCc1nnc(S)o1 1857629000 GQMQZLZCXOTFNK-PDBXOOCHSA-N 334.529 6.100 0 1 EKAF CC(=CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 2356285389 ISBNMFLPVWHCIH-VBMAKHGGSA-N 338.491 5.181 0 1 EKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1CC=CC[C@H]1C(C)(C)O2 13606333 LKLPFIQXMZIEMA-RTBURBONSA-N 340.507 5.965 0 1 EKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)CCc1ccccc1 26168659 NTSUNNYXAZHHLL-GRSYGWAWSA-N 340.551 6.169 0 1 EKAF O=C(CCCCCCc1ccccc1)c1noc(-c2cccs2)n1 40395197 ZFZWXQBOEMXRFD-UHFFFAOYSA-N 340.448 5.174 0 1 EKAF Cn1ccc2c(-c3cccc4ccccc34)cc3c(c21)[C@@H]1CC[C@H]3O1 72135888 GLZODCOHLUSPJL-RTWAWAEBSA-N 325.411 5.905 0 1 EKAF N[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247451 WQGFDNQDRNGXFO-JSPTYHBCSA-N 336.454 5.055 0 1 EKAF Brc1ccc2[nH]c(-c3nc4ccccc4s3)cc2c1 103259881 RQGNAZVSFMTXSR-UHFFFAOYSA-N 329.222 5.207 0 1 EKAF Clc1cccc2c1CCN[C@@H]2c1sc2ccccc2c1Cl 144703308 ZBVMFGBAIFCAQZ-INIZCTEOSA-N 334.271 5.443 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/CN=O 169684386 JBSOEEVELDJWHD-XFFQDJJMSA-N 329.484 5.003 0 1 EKAF c1ccc(CCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 253636357 YJWKPDMZHMZMRC-AVRDEDQJSA-N 330.475 5.252 0 1 EKAF CC(C)Oc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073455 JEDQREFJUAAYOF-UHFFFAOYSA-N 340.854 5.278 0 1 EKAF Cc1c([C@@H]2CC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100092 ZYOLYVAOEUZSJV-KRWDZBQOSA-N 327.427 5.577 0 1 EKAF Cc1cccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)c1 587206179 KONVODQKUQNQPX-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1CCC3 587206644 FWSZUZFITWOJKV-UHFFFAOYSA-N 347.417 5.602 0 1 EKAF Cc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1C 587242354 QYPGKLAVNMYDBJ-UHFFFAOYSA-N 335.451 5.221 0 1 EKAF CC[C@@H]1S[C@H](C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C 587537473 FTJWQMKBVIIUGT-PZXGUROGSA-N 344.520 5.210 0 1 EKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(F)(F)F)cc1 587624616 PSTGEOJOXHXANY-UHFFFAOYSA-N 339.744 5.824 0 1 EKAF CCCC[C@H](CC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818236 HAAZVKXCACVLFN-BWACUDIHSA-N 342.296 5.380 0 1 EKAF CCCC[C@@H](CC)[C@@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962095829 XPNZBMORUMEYPB-GCJKJVERSA-N 340.486 5.135 0 1 EKAF Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)o2)cc1 1857562775 CDSKVJIPKNCHQO-UHFFFAOYSA-N 347.245 5.811 0 1 EKAF c1ccc(CC2CCN(C[C@@H]3CSC4(CCCC4)S3)CC2)cc1 1911578918 AIHHKXSJJYAYND-LJQANCHMSA-N 347.593 5.060 0 1 EKAF S=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C12CCCCC2 13488890 WHMNCJNAOAQIGP-UHFFFAOYSA-N 327.880 5.962 0 1 EKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(N)=O 26578725 AWVRFTHLAVKPHT-SFGLVEFQSA-N 327.512 5.950 0 1 EKAF Cc1cccc(-n2nccc2-c2ccc3nc(NC(C)C)sc3c2)c1 29041778 XKCUHSVXJMGDKR-UHFFFAOYSA-N 348.475 5.278 0 1 EKAF O=C([C@@H]1C[C@@H]1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 43020415 QZBYSJNCNQZJAB-ZSEMMOBPSA-N 331.459 5.124 0 1 EKAF CSc1ccc(C[C@H](C)N[C@@H](C)Cc2ccc(SC)cc2)cc1 49803604 CCIYCSAEJVZXQO-HOTGVXAUSA-N 345.577 5.282 0 1 EKAF CC[C@H]1CCCCN1c1cc(Oc2cccc3ccccc23)ncn1 82067410 OSSYNEHJTKWINT-KRWDZBQOSA-N 333.435 5.191 0 1 EKAF COc1ccc(Nc2nc3ccccc3cc2-c2ccc(C)cc2)cc1 84687740 PUXXNBARBRBJAM-UHFFFAOYSA-N 340.426 5.962 0 1 EKAF Cc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103278994 BYMIPVZFCZLHGK-UHFFFAOYSA-N 335.259 6.169 0 1 EKAF CCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)SC 144374955 GSLDYEUXPPAHCC-SJORKVTESA-N 332.550 5.255 0 1 EKAF O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCCC1 166158471 WMBWZOLJDZUYSZ-UHFFFAOYSA-N 344.524 5.130 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](c1ccccc1)C3 587208415 WAQMKXGSNSVJIY-INIZCTEOSA-N 347.417 5.329 0 1 EKAF CCO[C@H](C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2N)cc1 587631189 IUKKZWOCDSZQAK-SNVBAGLBSA-N 332.806 5.307 0 1 EKAF c1ccc(C[C@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)cc1 587955814 PTHWBFANJKMBDP-HXUWFJFHSA-N 349.437 5.486 0 1 EKAF Cc1ccc(F)c([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c1F 962659150 FTPIGKAEJNQNMJ-HSZRJFAPSA-N 349.424 5.349 0 1 EKAF Cc1cccc([C@]2(CC(C)(C)C)NCCc3c2sc(C)c3C)c1C 963024498 NOZXVVJAWJPQSB-QFIPXVFZSA-N 341.564 5.807 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cccc2nc(C)oc12 963244650 XFYCOKNXKSGFDA-OYHNWAKOSA-N 334.463 5.056 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@@H](C)C=C[C@H](C)C(C)C)C1=CC(=O)O2 2356518082 FCFUSYHGZLEMJM-ANWWMBAISA-N 346.511 5.123 0 1 EKAF C(=C\c1c2c(nc3ccccc13)CCCCC2)\CCN1CCCCC1 13533673 FTBVYZXGJODJCW-XFFZJAGNSA-N 334.507 5.393 0 1 EKAF CC[C@](Cc1ccc(Cl)cc1)(Oc1ccc(C(C)C)cc1)C(=O)O 13604897 SURINXVIHYGSRK-HXUWFJFHSA-N 346.854 5.318 0 1 EKAF CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)C(C)C)c(O)c1 14593861 TUADKQOMMLPDOK-OQLLNIDSSA-N 332.440 5.008 0 1 EKAF CC(C)(C)c1cc(/C=C/c2ccc(Cl)cc2)cc(C(C)(C)C)c1O 25985758 QXAIAKCWNSSIMA-BQYQJAHWSA-N 342.910 6.811 0 1 EKAF c1ccc(CN2CC[C@H]3[C@@H](C2)c2ccccc2N3c2ccccc2)cc1 26180637 OZKIVMASBYKQNB-UPVQGACJSA-N 340.470 5.196 0 1 EKAF CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27746690 UWYQDLYLKSLKNZ-MYQPPDNISA-N 340.507 6.597 0 1 EKAF CCc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40864328 KSLFZSFKLYRNIU-HXUWFJFHSA-N 340.854 5.309 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CCN2C[C@@H]2C)c(C)c1 43022435 DETKPDOOZBSGDJ-PBVYKCSPSA-N 333.541 5.253 0 1 EKAF c1ccc([C@H]2C[C@@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71295434 WEFIEUNJRSOGIZ-NHCUHLMSSA-N 326.399 5.150 0 1 EKAF CCOc1ccccc1CNc1cc(-c2ccc(C(C)C)cc2)ncn1 82167604 SMTHBMJDYUXTPC-UHFFFAOYSA-N 347.462 5.278 0 1 EKAF O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1 95603212 TYKZNEGYDIZEFR-GDNBJRDFSA-N 339.753 5.232 0 1 EKAF Brc1cccc2c1Sc1cc3ccccc3nc1N2 96905926 MIYXPZUUOYSXSK-UHFFFAOYSA-N 329.222 5.206 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586881618 NUVGPUIAHJZNNS-UHFFFAOYSA-N 332.369 5.936 0 1 EKAF Cc1ccc(CSCCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586970129 AJTAJSKXCTYGGV-UHFFFAOYSA-N 338.520 5.645 0 1 EKAF Cc1nc(COc2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)cs1 587020629 WMHFBIVQBRCMQN-UHFFFAOYSA-N 349.459 5.191 0 1 EKAF CSc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069366 IWFDWDWSDSLWIE-LLVKDONJSA-N 344.867 5.315 0 1 EKAF C[C@@H](c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1C(F)(F)F 587098201 OIOGQOIXBWWVSG-MRVPVSSYSA-N 326.268 5.012 0 1 EKAF COc1c(Cl)cc(Cl)cc1-c1cc2c3c(cccc3n1)CC2 587209321 NLAKHKQZEIOPPD-UHFFFAOYSA-N 330.214 5.316 0 1 EKAF Clc1ccc(NCCNc2ccnc3cc(Cl)ccc23)cc1 1772621793 YMJCLXRSONMYLP-UHFFFAOYSA-N 332.234 5.066 0 1 EKAF S=C(Nc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1857568635 QVZVQSIBXVYANM-UHFFFAOYSA-N 345.427 5.304 0 1 EKAF CN(C)c1ccc(Nc2cc(-c3cccc4ccccc34)ncn2)cc1 1857594909 HNLYEBXHPYXMPB-UHFFFAOYSA-N 340.430 5.106 0 1 EKAF CC=C(C)C(=O)O[C@@H]1C[C@@H](C(C)C)c2cc(C)c(OC)cc2[C@@H]1C 2356389069 FVXRNEBVBKNUDR-TWOQFEAHSA-N 330.468 5.128 0 1 EKAF CCCCCC=CCC=CCC=CC=C[C@@H](O)CCCC(=O)OC 2356430316 RWLSHOXCJVZJMD-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF CCCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 3583872 JQEJFVMLJMTMMV-UHFFFAOYSA-N 348.324 5.211 0 1 EKAF C/C=C(/c1ccccc1O[C@H](C)c1cccc(Cl)c1)n1ccnc1 28764677 BOLHNCIMSMWFJJ-TVJFTEMLSA-N 338.838 5.586 0 1 EKAF CC(C)(C)c1cc(C(=O)c2ccc(F)cc2)cc2c1OCC2(C)C 39131425 ALBPPKQKOSSBMU-UHFFFAOYSA-N 326.411 5.024 0 1 EKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2ccc(F)cc2)cc1 45385273 IEKBPHHXDXKATO-IBGZPJMESA-N 345.414 5.244 0 1 EKAF in-vivo CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(F)cc1)N2 49785651 SFISMZBPVAGDIE-YYWHXJBOSA-N 339.454 5.758 0 1 EKAF COc1cc(/C=C/C(=O)O)cc(C/C=C(\C)CCC=C(C)C)c1OC 238734262 IXDDIYJCTLFLLS-BVXVVYCSSA-N 344.451 5.037 0 1 EKAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C)N(C)C 255214445 HACHLIKPIMANLR-LNFQQBATSA-N 345.571 5.165 0 1 EKAF Clc1ccccc1O[C@H](CC1CNC1)c1ccc2ccccc2c1 299834633 BSZJUUFTQGBZQN-OAQYLSRUSA-N 337.850 5.223 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 586898969 UNTCCWHPIJSGQT-UHFFFAOYSA-N 340.304 5.020 0 1 EKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587148894 DSXIXFKTCJNQQD-LLVKDONJSA-N 330.378 5.279 0 1 EKAF Fc1ccc2c(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)coc2c1 587174412 IZVZONJWUJVPQJ-UHFFFAOYSA-N 336.244 5.014 0 1 EKAF CC/C=C/CCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477531 CNXGMSBCBOTSBL-RTRPANQVSA-N 344.495 5.985 0 1 EKAF CC(C)(C)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534659 DOCZEDZSEJQPFN-INIZCTEOSA-N 341.476 5.026 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624723 STXSCHRWLQZJGM-UHFFFAOYSA-N 337.772 6.378 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(C)(C)C)N1 587810414 CMPVLDYYPNJRMP-GTNSWQLSSA-N 342.296 5.164 0 1 EKAF CC(C)=CCC[C@]1(C)Oc2cc(C)cc3c2[C@H]2C[C@@](C)(CC[C@H]21)O3 2356630586 XJZUAVILVOHKCU-DVRVPYBTSA-N 326.480 5.927 0 1 EKAF FC(F)(F)C1(Br)C(c2ccccc2)=C1c1ccccc1 1613115 OKJCUIPEHFGLRC-UHFFFAOYSA-N 339.154 5.307 0 1 EKAF CCCC1(CCC)CCC2(CCN(CCCCCN(C)C)C2)CC1 26817965 RTMFCHURDXCBAR-UHFFFAOYSA-N 336.608 5.571 0 1 EKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(C/C=C/CCCF)cc1OC2(C)C 27751104 YMYYGMHEAJZHFP-LWLUOKNMSA-N 344.470 5.852 0 1 EKAF COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12 40938957 NRNMLYDOXRKTLJ-UHFFFAOYSA-N 335.190 5.005 0 1 EKAF Cc1cc(C)c2c(c1)[C@](c1ccc(O)cc1)(C1CCCCCC1)C(=O)N2 64539522 SWKCKBXWFUZBAD-HSZRJFAPSA-N 349.474 5.218 0 1 EKAF O=C(CCc1ccccc1)C[C@H](O)CCCCCCc1ccccc1 82150979 KOJGDUNEMGGIAC-JOCHJYFZSA-N 338.491 5.133 0 1 EKAF CC(C)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84759432 MZWUJUVHDZLGHX-INIZCTEOSA-N 325.399 5.123 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccs3)cc21 143410877 CGLJTLCQPJFDGB-QGZVFWFLSA-N 332.346 5.194 0 1 EKAF COc1cc2c(Cc3ccc4ccccc4c3)cnc(C)c2cc1OC 145084172 TYCAMPSONRRAPT-UHFFFAOYSA-N 343.426 5.304 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1C[C@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@H]12 231930505 LXZYGXNGSMYQAG-GKEITTCDSA-N 330.512 5.366 0 1 EKAF CC(C)c1cc([C@@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)on1 261178907 VORLYPMDEILSSB-YNVMFWSZSA-N 344.886 5.185 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 586962059 AWQRRCNJOJSPNN-NSHDSACASA-N 347.281 5.320 0 1 EKAF COc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(C(F)(F)F)c1 587095571 LGAJFCKZYFTWLP-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF Cc1c(-c2ccccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103683 NDOLXYPZIIQHEO-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(F)c2[nH]1 587112368 GGCYGBMSBOLTKL-VIFPVBQESA-N 340.295 5.206 0 1 EKAF C/C=C(\C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365592 MDPMXTZWHLPLAU-LNKIKWGQSA-N 329.399 6.080 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2O[C@H]2CC3)c1 587366585 UKOJAKMMZADZSV-UWJYYQICSA-N 343.382 5.043 0 1 EKAF O=C1C[C@H](c2cccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587514462 YTGFABBZYRUSGA-JOCHJYFZSA-N 343.426 5.063 0 1 EKAF O=C(c1c(-c2ccc(Cl)s2)[nH]c2cc(F)ccc12)C(F)(F)F 587633540 GDAXZFCXTRFEBX-UHFFFAOYSA-N 347.720 5.434 0 1 EKAF Cc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587785251 ZPENOZILXYJFLQ-GXDHUFHOSA-N 340.426 5.621 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)c1 587922146 JIBSWRVOONUKIM-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(Oc3ccccc3)cc1)NCC2 962293877 AOYNOXZFJKOUPL-HSZRJFAPSA-N 347.433 5.336 0 1 EKAF COC(=O)C[C@]1(C)C[C@@H]2C3=C(CC[C@@H](C)[C@]2(C)O1)C(C)(C)CCC3 2356406058 LWWWPWARMZZQBS-LPNJYYIDSA-N 334.500 5.040 0 1 EKAF CC(=O)O[C@H]1C(C(C)C)=CC=C(C)CCC=C(C)CCC=C(C)[C@@H]1O 2356498810 JSCFEQUPOIVPOF-VXKWHMMOSA-N 346.511 5.274 0 1 EKAF NC[C@@H](CCCSc1ccc2ccccc2c1)c1ccc(F)cc1 27768466 KRDPPJHKVLHWQK-LJQANCHMSA-N 339.479 5.594 0 1 EKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](/C=C/c3ccc(C(=O)O)cc3)CCC[C@@H]12 29393453 VPOITMMNIXJNFN-KUDJIGPHSA-N 342.479 5.002 0 1 EKAF C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1cccc(F)c1 40901177 FYZFBWGIHKEOHV-BTYIYWSLSA-N 346.405 5.028 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)cc1 49089856 WIMAIHLLVKSYEN-OAQYLSRUSA-N 347.439 5.456 0 1 EKAF CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1 95554403 ADZOQOOHSKDGKU-KRWDZBQOSA-N 342.870 5.073 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(N[C@@H](C)C(F)(F)F)ncc2c1 169699970 WWCPCLHHGLYZOE-LBPRGKRZSA-N 348.343 5.712 0 1 EKAF CCC/C=C/C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 209607331 NRDUSLDTXLXXNM-HTKRNXBHSA-N 329.528 6.793 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(O/C=C(\C)CCC=C(C)C)cc1O 238733219 SKTDZBVNXYOMFX-OKFGHLOFSA-N 332.440 5.356 0 1 EKAF FC(F)(F)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586902705 BVHMSOFYZYAIST-UHFFFAOYSA-N 330.309 5.113 0 1 EKAF Cc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587030733 KHGJZGXWBNVTKR-CYBMUJFWSA-N 347.487 5.830 0 1 EKAF CC(C)Oc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074027 PRNIAQIMLATJHX-UHFFFAOYSA-N 340.854 5.474 0 1 EKAF CCc1c(C(C)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365363 JWUAQLVJPHBXKS-UHFFFAOYSA-N 345.398 5.422 0 1 EKAF O=C1C[C@@H](C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 587524037 JUAFMKAJDHJWSS-KNMWWIEVSA-N 336.475 5.116 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2cc(Cl)c(F)cc12 587629281 IFDOXCQLKZMOPI-UHFFFAOYSA-N 349.764 5.252 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(C(F)(F)F)cc1 587630132 UQMZOLDNZGBEOI-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cc(C)cc3C)c2c1 587641454 FYXOLQAVUKATHW-CQSZACIVSA-N 348.490 6.167 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCCC1CCCC1 15924661 GGEDFXAKTRZLPC-FQEVSTJZSA-N 327.516 5.155 0 3 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccsc3)[C@H]12 18011163 JDQTXMIXVPJBIO-PXNSSMCTSA-N 347.464 5.528 0 1 EKAF CCCOc1ccc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c1 27083386 NKLIGXSNUWLVKJ-UHFFFAOYSA-N 348.320 5.268 0 1 EKAF CCOC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)cc1 28890584 XMTKXJVRGWGALO-IJANBFSMSA-N 328.452 5.334 0 1 EKAF OCCCCC[C@@H](O)c1ccc(-c2ccc(Cl)cc2Cl)cc1 64379353 XSRUFIHKQNWPAD-GOSISDBHSA-N 339.262 5.247 0 1 EKAF Cn1c(-c2nc(-c3ccc(Cl)cc3)no2)cc2cc(Cl)ccc21 64491828 WGQPTLSXVNUXRG-UHFFFAOYSA-N 344.201 5.202 0 1 EKAF C[C@@H](c1ccccc1)N(C)Cc1coc(-c2cccc3ccccc23)n1 72185069 YDZLYDRRVDLQSY-KRWDZBQOSA-N 342.442 5.688 0 1 EKAF Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2ccccc12 84711161 PDXVMHAAFBYXRP-UHFFFAOYSA-N 328.202 5.272 0 1 EKAF CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(CF)=C[C@@H]21 89455888 RDZPQLYUOHNGDG-QZTJIDSGSA-N 346.486 5.988 0 1 EKAF CC(=O)C(F)(F)CCCCOc1cccc(OCc2ccccc2)c1 141256308 LPJAMILAWHZWSI-UHFFFAOYSA-N 348.389 5.039 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@@H]2CC[C@@H]1N2C 169368212 RBRMVWHMOIEQRO-JNTAVDMJSA-N 349.518 5.509 0 1 EKAF CCc1oc2ccccc2c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586903685 NGWFYYXMWDKPIK-UHFFFAOYSA-N 332.190 5.240 0 1 EKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccccc2[nH]1 587035088 NUSFBFIKLPSPCG-INIZCTEOSA-N 349.459 5.049 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 587062885 XRGIQFBVBJUDQH-NSHDSACASA-N 340.732 5.164 0 1 EKAF CC[C@H](C)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099922 XRYOFHLBXGMPOA-ZDUSSCGKSA-N 329.443 5.652 0 1 EKAF C[C@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106574 JOZUEEIXTYLCQI-OAHLLOKOSA-N 335.406 5.598 0 1 EKAF CCCCCc1cc2c(s1)CCc1c-2nc2cccc3c2c1CC3 587361524 VITUZYZTEUDUNM-UHFFFAOYSA-N 333.500 5.893 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccsc3)s1)O2 587411354 SXDFTCUFVSLSHX-OAHLLOKOSA-N 341.457 5.074 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc(C)c1F)CC2=O 587467880 UDWKBOBQFSRPFR-MRXNPFEDSA-N 348.801 5.152 0 1 EKAF O=C1C[C@]2(CCC[C@@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587509842 XELGQMYIBFNOPW-FZKQIMNGSA-N 338.369 5.022 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587641995 LCQMCYUTUMHHLK-ZDUSSCGKSA-N 345.408 6.930 0 1 EKAF C/C(=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCCC1 587968055 NXWIUSPFHKFPSG-YFHOEESVSA-N 342.792 6.219 0 1 EKAF CCCCCCSc1ccc(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1 1857611223 XANFNVUDCJCYTD-VLIAUNLRSA-N 339.932 5.289 0 1 EKAF COCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12 1857765434 QLYHUACECRVCAV-UHFFFAOYSA-N 348.833 5.468 0 1 EKAF CC(=O)OCC=C(C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356571635 XAYGDGVRGSNBDV-ZHHKINOHSA-N 332.528 6.075 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]21)C3 2356693326 GFQMRZFTUAYSTG-JOLMYRCBSA-N 330.512 5.519 0 1 EKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356745959 HACHLIKPIMANLR-OXSRUOSKSA-N 345.571 5.165 0 1 EKAF CC(C)c1cc2c(cc1Cl)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2 13302825 LRHCLIUTYPHWLV-HOJAQTOUSA-N 334.887 5.558 0 1 EKAF biogenic Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1 28526230 MYJNCCMUFZBCJX-UHFFFAOYSA-N 331.346 5.119 0 1 EKAF O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-n2cccc2)cc1 39051087 SGPKICRNDDCNPD-UXBLZVDNSA-N 342.225 5.680 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC(F)F)cc2)n1 72101415 LGYDOBLZLFMBJT-CYBMUJFWSA-N 338.398 5.001 0 1 EKAF Clc1cc2c3cc[nH]cc-3nc2c(Cl)c1OCC1CCCCC1 100958124 NYYUHVYOJVRFSZ-UHFFFAOYSA-N 349.261 5.934 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc(Cl)cc1 299845248 VOXVAMKRKWNIEZ-XCJLJZCSSA-N 338.834 5.040 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 587027218 REKMUFIYUYOWRP-UHFFFAOYSA-N 333.460 5.651 0 1 EKAF CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)(C)C 587105902 BOFHCXLPXDORKZ-OAQYLSRUSA-N 343.426 5.165 0 1 EKAF Fc1cccc2c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)n[nH]c12 587176995 YMAUBLPJSUAIRJ-UHFFFAOYSA-N 344.349 5.038 0 1 EKAF O=C(Cc1ccccc1Br)c1coc2ccc(Cl)cc12 587277010 ZDEWHNLSPHYWEK-UHFFFAOYSA-N 349.611 5.274 0 1 EKAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587627832 DFYRNEGGPXSVPP-UHFFFAOYSA-N 338.165 5.206 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(F)c(C)c3[nH]2)c1 587780182 MXYXUYXPKFCXKQ-UHFFFAOYSA-N 346.405 5.743 0 1 EKAF Cc1c(F)ccc2c1[C@@](c1ccc3c(c1)CCC3)(C(C)(C)C)NCC2 962369881 BOEHPYGTJZSWLE-QHCPKHFHSA-N 337.482 5.058 0 1 EKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 5550858 ZJNVIVRSORGHEF-HZPDHXFCSA-N 342.523 6.821 0 1 EKAF Cc1ccc(C(=O)[C@@H]2C=C(c3ccc(C)cc3)S[C@H]3C=CC[C@H]23)cc1 5956339 UZPMSCYFVVIUEA-NJYVYQBISA-N 346.495 5.835 0 1 EKAF O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1 13493268 PWQBPYMRTDMNLS-UHFFFAOYSA-N 347.805 5.136 0 1 EKAF CCCCC[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756308 PFMMKGGPOLDMEE-HRALPVODSA-N 344.583 6.507 0 1 EKAF CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 26283201 GTLYPMCHYLJPTD-UHFFFAOYSA-N 344.418 5.054 0 1 EKAF CCCCCCC(CCCCCC)c1cccc(N2CCNCC2)n1 28245990 GFGNNONQTKEYMQ-UHFFFAOYSA-N 345.575 5.516 0 1 EKAF Clc1ccc(O[C@H](CCn2ccnc2)c2ccccc2)c(Cl)c1 28455443 TZSSTDCLMNYHMK-QGZVFWFLSA-N 347.245 5.400 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@@H]1N2C 38155369 AOGDHAKOMBZIIJ-JFYQVNSESA-N 339.523 5.280 0 1 EKAF CN(C)CCSC1=Cc2ccccc2Sc2ccc(F)cc21 39291681 HOWANHJBNRVIAV-UHFFFAOYSA-N 331.481 5.083 0 1 EKAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(C(C)(C)C)cc3)ccc12 49068764 JJSJGKDFXUHNSD-UHFFFAOYSA-N 335.451 5.266 0 1 EKAF O=C(C[C@H](Sc1ccccc1)c1ccccc1)c1ccc(O)cc1 72113512 AWOCUQKRCQWGKX-NRFANRHFSA-N 334.440 5.499 0 1 EKAF COc1cc2c(cc1[C@@H](C)NC/C=C/c1ccccc1)C=CC(C)(C)O2 96932073 KPZRGYPPMJOGSH-VGMNTSGFSA-N 349.474 5.243 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 103172572 NRPYGMADXJBPKJ-HSZRJFAPSA-N 340.422 5.734 0 1 EKAF Fc1cccc(-c2nc(-c3cnc(-c4ccccc4)nc3)cs2)c1 118621075 HBLLRRYJEOHLPV-UHFFFAOYSA-N 333.391 5.073 0 1 EKAF CC1(C)CC(=O)c2c(SC3CCCC3)sc(-c3ccn[nH]3)c2C1 166472718 ZGOQMWNALJKQMK-UHFFFAOYSA-N 346.521 5.328 0 1 EKAF CCc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587050225 GJUSHNADIOHLOW-UHFFFAOYSA-N 341.842 5.040 0 1 EKAF CCCCC/C=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206446 MPNIUYOBYFEODS-UXBLZVDNSA-N 327.427 6.040 0 1 EKAF CC(C)C[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208674 XOSPRQSQLHAHQI-OAHLLOKOSA-N 341.454 5.912 0 1 EKAF COc1cccc(-c2cc([C@H](C)C(C)=O)nc3c2oc2ccccc23)c1 587365114 HYGBJXPKBLXUGM-CYBMUJFWSA-N 345.398 5.349 0 1 EKAF C/C=C/C=C\c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366105 RPXNZOSCGIFNLB-STMOGGTPSA-N 341.410 6.246 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3cnccc3C(F)(F)F)n2)c1 587921540 CXHVLESNFCSLFZ-UHFFFAOYSA-N 342.292 5.169 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587950698 CAVYGABQUJUURF-KFNAQCHYSA-N 340.389 5.628 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]21CCC[C@@H]1c1ccc(Cl)cc1 963010246 MQXHTNPZSJYHKC-IEBWSBKVSA-N 331.912 5.327 0 1 EKAF Cc1noc(C)c1-c1cc(NC2CCCC2)c2[nH]c(C3CC3)nc2c1 1772588461 UFMRZYYXPWVWNN-UHFFFAOYSA-N 336.439 5.067 0 1 EKAF COc1ccc(C[C@H](/C=C/c2ccc(F)cc2)c2ccccc2)cc1 203471957 RWAARFWSOAYRAU-SQEWALACSA-N 332.418 5.874 0 3 EKAF C[C@H](OCc1ccccc1)[C@@H]1O[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)S1 6003589 ULRUJYAJIOLCPB-CSFFLVESSA-N 334.525 5.265 0 1 EKAF CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](C)CCCCCC2 27517954 URKLLKTVBBRRMX-NVXWUHKLSA-N 340.463 5.497 0 1 EKAF CC(=O)O[C@H]1C/C(C(C)C)=C/C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@@]12C 29042136 DGDSKYGEKMVUCF-AZVOUQKQSA-N 346.511 5.515 0 1 EKAF C[C@H](OC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc12 40395094 RFHLGSZRGYXJIV-ZDUSSCGKSA-N 341.863 5.968 0 1 EKAF c1ccc(-c2nc3sc4ccccc4n3c2Cn2cccc2)cc1 72179089 GTTCPLUMWFJHPZ-UHFFFAOYSA-N 329.428 5.066 0 1 EKAF CC/C=C/C=C/C=C\C=C\CCCCCCCOC(=O)CC(C)C 238787397 MDNVKZNPVLCVQP-ZTBHUAFUSA-N 332.528 6.551 0 1 EKAF O=c1cc(/C=C/c2ccoc2)occ1Oc1c(Cl)cccc1Cl 473113675 JWWMSUXNHYFRJV-SNAWJCMRSA-N 349.169 5.502 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ccncc4[nH]3)cc2)CC1 586880495 LIVIGPBRUQDSMO-QAQDUYKDSA-N 333.479 6.089 0 1 EKAF Cc1cc(C)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016561 XYBQLGKCDPIBBY-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)ccc3ccccc13)CC2=O 587481377 LJXDDGZJKGCULC-NRFANRHFSA-N 346.426 5.513 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 587641476 GBUFPSPBPJRHMU-GJZGRUSLSA-N 334.463 5.481 0 1 EKAF COc1ccc2c(c1)[C@](C)(c1cccc(F)c1Cl)N(C(C)C)CC2 962096203 XQKKOLLCCIPQFQ-FQEVSTJZSA-N 347.861 5.018 0 1 EKAF Cc1ccc([C@H](C)NCC[C@H](c2ccc(F)cc2)c2ccco2)cc1 1857643717 DICVVCHTJXVHLT-LAUBAEHRSA-N 337.438 5.600 0 1 EKAF CC(C)=CCC=C(C)[C@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 2356469891 FOCRIHXZXHBZHM-HXUWFJFHSA-N 340.463 5.500 0 1 EKAF CC(=O)O[C@H]1CC(C)=CCCC(C)=CCCC(C)=CC=C1C(C)C 2356538002 NQBWCMIADAARIG-QFIPXVFZSA-N 330.512 6.304 0 1 EKAF Oc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 5128341 SNGQYUBCSDVBCA-DAFODLJHSA-N 332.186 5.123 0 1 EKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1-c1ccccc1 8690110 QJXGQPFZNBVUTO-UHFFFAOYSA-N 326.399 6.061 0 1 EKAF Cc1ccn2c(NC3CCCCC3)c(-c3ccccc3Cl)nc2c1 35157106 UVPLLBONUMKHKM-UHFFFAOYSA-N 339.870 5.708 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3ccc(C(F)(F)F)cc23)cc1 45261773 TVOVOEONQIZBEK-UHFFFAOYSA-N 346.230 5.609 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@H]3C[C@@H]3c3ccccc3)ncn2)cc1 82161920 BFQCYKMFHMBZMS-CTNGQTDRSA-N 329.447 5.235 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(C)c(F)cc4[nH]3)c(C)s2)cc1 587012358 ALCQMMCGQDNIDQ-UHFFFAOYSA-N 337.423 5.418 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(O)c2[nH]1 587015140 YJLJHZNKOXRWKA-UHFFFAOYSA-N 341.823 5.021 0 1 EKAF Oc1ccc2scc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2c1 587032018 FGQDTIWSIZGVKB-UHFFFAOYSA-N 334.322 5.169 0 1 EKAF Cc1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587059448 QJOTZUSBSLVEOB-UHFFFAOYSA-N 349.659 5.072 0 1 EKAF Fc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1F 587084299 XEQPZRFCRATSLB-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF O=C(c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12)C(F)(F)F 587633585 HKYJQTMDEFZIIO-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C)c2c1 587639960 AZMQPOIBJWEMLQ-LBPRGKRZSA-N 329.390 6.258 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(C)C)c2c1 587640263 GRIURKJDKBFGDB-OAHLLOKOSA-N 339.910 7.200 0 1 EKAF Fc1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)cc1F 587922503 UVAVXSZHPUNUDL-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H](C)Cc2ccc(OC)cc2)N1 962946310 LETHAEXKWQSPET-JIGPKXGUSA-N 348.490 5.021 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc2c(c1)CCCC2 963234751 VRKMYWOJFUNGDI-HOYKHHGWSA-N 333.519 5.486 0 1 EKAF Clc1ccc([C@H](CCn2cncn2)Cc2ccccc2)c(Cl)c1 1857744664 UYBCTZWDEMNMQI-OAHLLOKOSA-N 346.261 5.002 0 1 EKAF CC(=O)O[C@@H]1OCC2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@H]21 2356313363 WTNWTMNADOABGR-XGARDCMYSA-N 346.511 5.577 0 1 EKAF Cc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1 40409861 ASYJGQCBUDDSFS-HNNXBMFYSA-N 329.871 5.255 0 1 EKAF O=C(NCCC1=CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 82086250 OZQQQODISUCSEP-UHFFFAOYSA-N 346.883 5.084 0 1 EKAF C/C(=C/CC1=CC(c2ccc(F)cc2)=CC1)c1ccc2ccccc2c1 95574112 GKTMJEYVOLBICB-FXBPXSCXSA-N 340.441 7.186 0 1 EKAF Cc1cc(C)c(Nc2cc(Oc3c(C)cc(C)cc3C)ncn2)c(C)c1 95578325 AGKZVPXIDDBVMR-UHFFFAOYSA-N 347.462 5.863 0 1 EKAF CCCCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95588933 KMZCCWJZQIMXOB-BWAGFHJFSA-N 343.511 5.708 0 1 EKAF Fc1ccc(CCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753822 TYLIVIWKWHWCFT-XMSQKQJNSA-N 348.465 5.392 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@H]1CS1 299846315 KEUSUQKYRBAZTR-LWYCANNGSA-N 332.553 5.042 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc(F)c(F)c2[nH]1 586971189 OHDDDGUAQUZAFS-UHFFFAOYSA-N 331.204 5.032 0 1 EKAF CC[C@@H]1CC[C@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991118 IYSIHCOULVQQIE-QWHCGFSZSA-N 343.426 5.543 0 1 EKAF Oc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124730 LOGUZNCNAFSQHA-BAQGIRSFSA-N 336.338 5.051 0 1 EKAF CC(C)[C@@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208179 QYATWYQKFUATAJ-GJZGRUSLSA-N 341.454 6.083 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4C=C[C@H]3CC4)nc3cccc1c23 587208393 VHOJITLDHAMKNR-YZVOILCLSA-N 337.422 5.516 0 1 EKAF CC(=O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587214136 PDIWKTTXBAQFNN-UHFFFAOYSA-N 349.433 5.870 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1 587240995 NAVXKFMPTLHASN-UHFFFAOYSA-N 349.821 5.636 0 1 EKAF O=C(c1ccccc1Br)c1coc2ccc(Cl)cc12 587275849 GTEWAFNMCKEZRA-UHFFFAOYSA-N 335.584 5.080 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(CC)cccc13)CC2=O 587481900 ITCRFDGLDHKIQH-HXUWFJFHSA-N 349.430 5.095 0 1 EKAF CC(C)(C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526646 WDIFJNVROXFQBQ-XMMPIXPASA-N 348.486 5.558 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)cc(F)c3[nH]2)cc1 587934108 AYWYLXHRVSKBBC-FQEVSTJZSA-N 346.405 5.199 0 1 EKAF Cc1cc(Cl)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951637 XCBYUXYTIBJOJO-UHFFFAOYSA-N 330.859 5.010 0 1 EKAF FC(F)(F)c1cccc(Nc2ccc(Oc3ccccc3)cc2)c1 1857640020 AVMUFVRIGIKINK-UHFFFAOYSA-N 329.321 6.241 0 1 EKAF CC(=O)OCC[C@H](C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356536429 VBKYATCSYDLRJR-OAQYLSRUSA-N 334.544 6.775 0 1 EKAF COc1ccc(C=CCCO[C@]2(C)CC[C@@]3(C(C)C)C[C@@H]32)cc1OC 2356600625 RNAXNNLWEJACQM-VSKRKVRLSA-N 344.495 5.339 0 1 EKAF Cc1ccccc1CN1C(=O)[C@H](C)Sc2ccc(-c3ccco3)cc21 61930850 JUBBARKNNNVDET-HNNXBMFYSA-N 349.455 5.282 0 3 EKAF Cc1cc(C)c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(C)c1 5930579 UKMJJMHWYKEQMZ-UHFFFAOYSA-N 338.842 5.542 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1SCC2=Nc3ccccc3CN21 6003069 QSCYDJMUSNZHNV-INIZCTEOSA-N 335.259 5.285 0 1 EKAF CCCCCCc1ccc(C(=O)CCN(C)Cc2ccco2)cc1 14968947 LSYGPUMMLSCEHD-UHFFFAOYSA-N 327.468 5.107 0 1 EKAF c1ccc(CCCN[C@H]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 26828890 DLHHIMFCIUQZER-ZCYQVOJMSA-N 341.498 5.356 0 1 EKAF C[C@@H](CCc1ccccc1)NC[C@@H](c1ccccc1)C1CCCCC1 27759678 LEIWFJXUAFQCSD-RDPSFJRHSA-N 335.535 5.961 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(OC)c1 28822140 DFADCSLRGAABGE-UHFFFAOYSA-N 338.535 7.227 0 1 EKAF CCc1nc2ccc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2[nH]1 66074037 MHRRQQBYWZVHMO-UHFFFAOYSA-N 338.414 5.336 0 1 EKAF COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)cc1OC 72139417 TXTLCRIBOQQTCY-DZGCQCFKSA-N 333.431 5.227 0 1 EKAF CCCCC[C@@H](O)CC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1 73197156 MIZCMCLDFGJDHS-GOSISDBHSA-N 348.527 5.472 0 1 EKAF Cc1cc(-c2ccccc2)cc(C)c1O[C@@H](Cc1ccccc1)C(=O)O 95593372 HDXKLNGXXAFAPN-NRFANRHFSA-N 346.426 5.045 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@H]1N2C 100771887 AOGDHAKOMBZIIJ-FQOCKNPQSA-N 339.523 5.280 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@@H](C(C)(C)O)[C@H]2C1 257560949 VAFPWCIGDGFJNB-QZMQVMSPSA-N 349.474 5.435 0 1 EKAF endogenous,in-man O=C(c1cscc1Br)c1coc2ccc(Cl)cc12 587278029 CCMMFEXRAGYNAI-UHFFFAOYSA-N 341.613 5.141 0 1 EKAF O=C1C[C@H](c2ccc(C(F)F)cc2)Oc2c1ccc1c2CCCC1 587505375 KOEXNHJOWFHVOM-GOSISDBHSA-N 328.358 5.210 0 1 EKAF O=C1C[C@H](c2ccc(F)c3ccccc23)Oc2c1ccc1c2CCCC1 587510909 YWCDVUUGWXDLFS-JOCHJYFZSA-N 346.401 5.564 0 1 EKAF CCCCC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814568 UJYQGMRKTFLNNJ-SJKOYZFVSA-N 342.296 5.308 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587954575 ANZURLNAHZIHJU-UHFFFAOYSA-N 336.332 5.355 0 1 EKAF CC1(C)CCC(Nc2nc(-c3cccnc3)nc3ccccc23)CC1 1772622960 HSPJNLGHEQYSQA-UHFFFAOYSA-N 332.451 5.073 0 1 EKAF CC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356307452 XRFPNYQNNAHIPX-FCBRJNFKSA-N 346.555 5.987 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@@H](C)CCC=C(C)CC[C@@H]12 2356619161 VIHYBRGBRJAHDB-UFGBVDADSA-N 332.528 6.073 0 1 EKAF CCCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 13796311 PTKLUXXBNIMDJO-UHFFFAOYSA-N 348.512 5.539 0 1 EKAF C[C@H](c1ccccc1)c1cc2ccccc2nc1SCCN(C)C 26378639 RUFZXULYHPVNAT-MRXNPFEDSA-N 336.504 5.040 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)cc1 49089855 WIMAIHLLVKSYEN-NRFANRHFSA-N 347.439 5.456 0 1 EKAF O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1Cl 72182379 LMDSUMQNYXYXBJ-ZHACJKMWSA-N 333.818 5.763 0 1 EKAF CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(OC)c21 96905992 AVGNUYHZHKVVFB-UHFFFAOYSA-N 339.410 5.015 0 1 EKAF CCCC/C(=C(/CCCC)[C@H]1C=CC(O)=CC1)c1ccc(O)cc1 111460722 NQAUIXWEWHWTQZ-VEGAHXMMSA-N 326.480 6.544 0 1 EKAF CCOCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344811 VMCLZGMBVSDMMB-UHFFFAOYSA-N 336.472 5.311 0 1 EKAF CCCN1N=C2/C(=C/c3ccccc3)CSC[C@@H]2[C@H]1c1ccccc1 169661453 JUGKHVPNYBEOAS-YAQOUWLDSA-N 348.515 5.256 0 1 EKAF CN(C)c1ccc([C@H](C[C@@H](N=O)c2cccnc2)c2ccccc2)cc1 169730261 ZUKBYVFWUNDXKQ-FGZHOGPDSA-N 345.446 5.177 0 1 EKAF CN1c2ccccc2[C@@H]2C=C(/C=C/c3ccc4ccccc4c3)C=C[C@H]21 253636729 ASCIXCTXNMXQCC-QAOMZEQASA-N 335.450 5.951 0 1 EKAF Cc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1F 586897030 VTPXFSRJYBLHGY-UHFFFAOYSA-N 326.415 5.630 0 1 EKAF Clc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Cl 587037034 QMDLUXMPJWPERV-ZDUSSCGKSA-N 341.288 5.310 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 587067630 HYRHINTXMKFXQP-CYBMUJFWSA-N 344.842 5.452 0 1 EKAF CC[C@@H](C)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099921 XRYOFHLBXGMPOA-CYBMUJFWSA-N 329.443 5.652 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCCC[C@@H]1CC3 587208382 UYTGMCHWXYWTNN-HUUCEWRRSA-N 339.438 5.666 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C3CCCCC3)CC1)O2 587407776 KWYCPIOYDSJTCY-UHFFFAOYSA-N 327.468 5.052 0 1 EKAF CCCc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587491260 VHYVKLYBSHZBRE-QFIPXVFZSA-N 338.447 5.178 0 1 EKAF CCC[C@]1([C@@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814231 SFWOVXZCOSRDLT-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)cnc3[nH]2)cc1 587959584 PQGOOSFBFBPSNY-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2sccc2Cl)N1 962940788 ARUKKSLLVPWSQO-ZMZPIMSZSA-N 330.884 5.071 0 1 EKAF Cc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F 1772650550 NWUGUMVVOHDENT-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356683544 YWHGASVUJAMQSY-UNMCSNQZSA-N 332.528 6.219 0 1 EKAF CC(C)c1ccc(O[C@@H](Cc2ccc3ccccc3c2)C(=O)O)cc1 13604730 UFLVUFJSNZVMCK-NRFANRHFSA-N 334.415 5.038 0 1 EKAF C1=C(c2ccc3ccccc3c2)CCN(CCCCc2ccncc2)C1 26673975 UFKFJODSTRHACQ-UHFFFAOYSA-N 342.486 5.347 0 1 EKAF COCC[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640901 RKRKYGRCYRXULL-DIFIXFHHSA-N 334.500 5.057 0 1 EKAF Cc1cc(C)cc(Nc2cc(-n3ccnc3-c3ccccc3)ccn2)c1 29407888 YGYZFNQCPIDEBI-UHFFFAOYSA-N 340.430 5.295 0 1 EKAF Fc1ccc2[nH]c3c(c2c1)S[C@H](c1ccc(Cl)cc1Cl)C3 43021107 MIOSUUKJDJMGNW-HNNXBMFYSA-N 338.234 6.003 0 1 EKAF Cc1cc(NC(=O)Nc2ccccc2C(C)(C)C)c2ccccc2n1 66104258 QKEBJVPVIUNCCS-UHFFFAOYSA-N 333.435 5.485 0 1 EKAF Cc1c2n(c3ccccc13)-c1ccccc1N[C@H]2c1ccc(O)cc1 71331232 UDLVAQCUKUDPBW-NRFANRHFSA-N 326.399 5.159 0 1 EKAF CCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 169622371 GYXBRSQZIKJSIX-PQBPFAQHSA-N 334.544 6.919 0 1 EKAF C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@@]21C 238776056 HGALRQOZWPGLJI-RUQAABINSA-N 348.527 5.044 0 1 EKAF Cc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1F 586979782 BANUUOKGUZXFFZ-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(C)c(C)cc4[nH]3)c(C)s2)cc1 587012188 HGQUVSVUJRUZMJ-UHFFFAOYSA-N 333.460 5.587 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032687 MXXIMYIEXYZVIN-UHFFFAOYSA-N 337.423 5.018 0 1 EKAF COc1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(C(F)(F)F)c1 587098655 WHWVGSRURNWNSI-UHFFFAOYSA-N 342.320 5.411 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)C[C@@H](C)C4)-c1ccccc1C2=O 587101558 VBWJDRZGJGDQNO-OCCSQVGLSA-N 327.427 5.440 0 1 EKAF Cc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1CC3 587210872 XWOHTGRQFWHSFJ-UHFFFAOYSA-N 342.211 5.210 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCC[C@H](O)CO 2356393643 OTUCJSRSPDSAQO-RTWAWAEBSA-N 328.581 6.237 0 1 EKAF COc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356421118 ZEHCEKRAEHFZNS-QHCPKHFHSA-N 342.523 6.560 0 1 EKAF COC(=O)c1ccccc1/C=C1\Cc2ccc3ccccc3c2[C@@H]1C 31897847 WSPBEHDWGJNAIU-DQPIFXJKSA-N 328.411 5.370 0 1 EKAF CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(Cl)c3)cc12 36380639 YXBXTXNKIGNUDW-UHFFFAOYSA-N 349.821 5.180 0 1 EKAF O=C(Nc1cc(Cl)ccc1Cl)Nc1cccc2ccc(O)cc12 71331507 OPWUNYFLYSZYMK-UHFFFAOYSA-N 347.201 5.496 0 1 EKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccccc1Cl)C2 140122951 TWLKFPACEDMNGQ-FIKGOQFSSA-N 341.882 5.071 0 1 EKAF CCCC[C@@H](Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167551027 VWKMZKHUIBFVKB-QGZVFWFLSA-N 336.541 6.017 0 1 EKAF CC(C)c1cc([C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)on1 169371505 VORLYPMDEILSSB-WBQJQJEBSA-N 344.886 5.185 0 1 EKAF CC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 587065927 FLLPPZQXOCBIBU-UHFFFAOYSA-N 349.821 5.185 0 1 EKAF Cc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587073275 ALEGLDGYJILVHM-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)nc2cccc3c2c1CC3 587209232 KVOUABOZEIQQQX-UHFFFAOYSA-N 330.214 5.321 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C)c3ccccc31)CC2=O 587486354 XLBHJJUVGWCPCU-FPTDNZKUSA-N 336.431 5.103 0 1 EKAF CC(C)N(C)c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504469 JPZBYABGGBDACN-JOCHJYFZSA-N 349.474 5.117 0 1 EKAF CC(C)[C@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587528233 ZHYFBWNCEOBEKK-AOMKIAJQSA-N 326.480 5.506 0 1 EKAF C[C@@]1([C@H]2C[C@@H]2c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530760 HKSGXMBWEJIUJR-FIKGOQFSSA-N 338.472 5.155 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)NCc1ccccc1Cl 587623271 CVVOAMRNOBSCTD-UHFFFAOYSA-N 347.245 5.022 0 1 EKAF COc1ccc(-c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1OC 587928494 GZPDOZUPBJZWRR-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF Cc1cc(N(C)c2ccc3oc4ccccc4c3c2)c2ccccc2n1 1857590478 SRJUTSNCBJTYNO-UHFFFAOYSA-N 338.410 6.211 0 1 EKAF CCC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356557489 QJNGVAWIYOINJU-KKDHSZCASA-N 346.555 5.375 0 1 EKAF CSc1ccc([C@@H]2CN3CCC[C@H]3c3c(Cl)cccc32)cc1 26668186 TXNKGWKKEXRIAI-WMZOPIPTSA-N 329.896 5.344 0 1 EKAF CC(C)NCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45201794 PRRSLNLVZIOVMP-UHFFFAOYSA-N 341.458 5.395 0 1 EKAF Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2sccc2C)n1 45337684 BWGSMMQFBNWNBK-UHFFFAOYSA-N 337.469 6.415 0 1 EKAF O=C(CCCCc1ccc2ccccc2c1)C(F)(F)C(F)(F)F 49783968 CIPLRWNMZYOPJX-UHFFFAOYSA-N 330.296 5.319 0 1 EKAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@@H]1C2 87721989 QUFRNANIXKUCID-WBFHWPSPSA-N 348.527 5.347 0 1 EKAF CN(C)Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1 117550747 QHKZOAMCTFXZHG-UHFFFAOYSA-N 346.540 5.172 0 1 EKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880636 OEGKAYSRGGPKIT-UHFFFAOYSA-N 334.316 5.655 0 1 EKAF CC(C)c1cc(-c2nc3ccnc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896010 GHTXVIBXCXPBHC-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF CC(C)(C)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521343 FCDCPIPTXXGHEO-DEOSSOPVSA-N 348.486 5.862 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(C)=O)cc3[nH]2)cc1 587564743 PDQUINUANHSWEB-UHFFFAOYSA-N 336.435 5.032 0 1 EKAF CC[C@H](C)C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813925 QQTKKNYZFORYKE-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587933489 YQACOPNMRHZBHP-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF CC/C(=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587966564 IZBQQDMYQOJRBE-JLHYYAGUSA-N 346.352 5.721 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(F)c(F)cc1Cl 963221859 AYWVGWYVTLTFAX-ZUOKHONESA-N 349.852 5.538 0 1 EKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cc(-c3ccsc3)cs1)C2(C)C 1857633019 MUFNGTYVUAGFRU-ZYRRHWMLSA-N 331.550 5.637 0 1 EKAF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@H]2O1 2356413039 KYRQYILNTDFRHT-NRVIEEGESA-N 336.516 5.429 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/C=C/C(=O)O)CCC[C@@]21C 27707235 ANYMJHVXVDISBK-BZAQUGIWSA-N 332.528 6.232 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)O[C@@H](C)[C@H]2C 45366310 RWJYFOPTQIOOKN-QEEYODRMSA-N 333.475 5.103 0 1 EKAF Cc1[nH]c2ccccc2c1-c1ccnc(Nc2cccc(Cl)c2)n1 72109286 BQLQSBPWPRNBFU-UHFFFAOYSA-N 334.810 5.330 0 1 EKAF Cc1ccc(C2=NO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103291898 MCKOBBKCCXELOD-HSZRJFAPSA-N 343.426 5.440 0 1 EKAF CC(=O)O[C@H]1C/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC/C=C/1C 140187500 VBJWNHGUYDLOJR-YFEOZBNWSA-N 330.512 6.304 0 1 EKAF CCc1c([C@@H](CC)Sc2ccoc2C)nc2cccc3c2c1CC3 587217106 TZUVLLCNNRGWES-GOSISDBHSA-N 337.488 6.041 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)c(F)cc2[nH]1 587951522 NHZIWMGWCLAUGN-NSHDSACASA-N 340.785 5.649 0 1 EKAF Cc1c(F)ccc2c1[C@@H](C=C(c1ccccc1)c1ccccc1)NCC2 962297520 JNJMCVVBOADLGZ-HSZRJFAPSA-N 343.445 5.453 0 1 EKAF CC(C)Nc1nc(Nc2ccc(Cl)cc2F)c2sccc2n1 61925562 LRBOSSPVCASFFP-UHFFFAOYSA-N 336.823 5.048 0 3 EKAF C1=C(c2ccccc2)CCN(C[C@H]2CCCC=C2c2ccccc2)C1 13738831 VCJROJRYERJGMQ-HSZRJFAPSA-N 329.487 5.659 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCOC[C@@H](O)CO 15261827 CBKUIYYARLOKAP-RTWAWAEBSA-N 344.580 5.474 0 1 EKAF biogenic Cc1cccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)c1 28768710 CTHAWFCXJKHCAE-UHFFFAOYSA-N 343.426 5.385 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@@H](SCC)C(C)C 29309910 GDSIONQIWSRATL-JLCJAUJYSA-N 326.546 5.636 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(-c3cccc(Cl)c3)nc2)c(=O)c1Cl 45192889 PSLYUHHUBIFJAO-UHFFFAOYSA-N 345.229 5.028 0 1 EKAF CC(C)CCC[C@@]1(C)CCc2cc(C(=O)O)cc(CCC(C)C)c2O1 84153792 YAMHFDZGNSYRIT-QFIPXVFZSA-N 346.511 5.883 0 1 EKAF biogenic,in-vitro C[C@]12CC3C[C@]1(C)CC3(N(Cc1ccccc1)Cc1ccccc1)C2 101560114 VINDLEJMTSPTRF-BIELFDCTSA-N 331.503 5.658 0 1 EKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3[C@H]1CC=CCC1 103945448 WUTIMTDELQMQQE-BTYIYWSLSA-N 344.458 6.065 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892046 STISIBHNPLIVBT-OQPBUACISA-N 347.178 5.248 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2)o1 586903242 NIVBNHLNQVGGJZ-UHFFFAOYSA-N 328.293 5.216 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586962938 VCNVRKRROXKVRA-ZDUSSCGKSA-N 325.481 5.250 0 1 EKAF Cc1ccc2c3c(cc([C@H]4C[C@H]5CC[C@H]4C5)nc13)-c1ccccc1C2=O 587100070 ZMKFIWNHCVSOIN-DOXZYTNZSA-N 339.438 5.658 0 1 EKAF CCCSc1ncccc1C(=O)c1coc2ccc(Cl)cc12 587278532 IKABWFAKOWGHGE-UHFFFAOYSA-N 331.824 5.214 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](CC1=C(C)CCCC1(C)C)CC2=O 587479547 INTNKTIZOWCGHA-OAHLLOKOSA-N 342.479 5.595 0 1 EKAF CC/C=C\CCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522635 GCXUEXARKJWGKI-ZRHASKPBSA-N 340.507 6.206 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccccc3)c2c1 587640330 CFWZFTHMZKGCEG-LBPRGKRZSA-N 327.374 5.850 0 1 EKAF CCOC(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587970005 XKTGVQITUHZXNP-ACCUITESSA-N 342.398 5.063 0 1 EKAF O=C(Oc1ccccc1)c1c(-c2ccccc2)sc2c1CCCC2 1772639670 XLWRSOKDLGQODT-UHFFFAOYSA-N 334.440 5.513 0 1 EKAF CN[C@H](C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C 2356649175 BXZCGDYGWHAPIP-UOIJNJMJSA-N 343.555 5.108 0 1 EKAF CCCCCCOc1ccc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc1 13864673 MFKDNMHZILMJII-SFHVURJKSA-N 331.500 5.154 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2[nH]c3ccc(C)cc3c12 15211555 MFGOZKCFDYMVEK-LZYBPNLTSA-N 333.475 6.570 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)N(C)C 29554615 JPRDQCVSUKLKQD-XEGANCEHSA-N 347.543 5.191 0 1 EKAF O=C(c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21 64586083 KRSWBJXPWZXCPK-UHFFFAOYSA-N 339.316 5.502 0 1 EKAF CN(c1ccccc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 71331572 MPKLOYBHNYJZRD-JOCHJYFZSA-N 346.861 6.047 0 1 EKAF Cc1ccc([C@](Cc2ccccc2)(SCCN)c2ccccc2)cc1 84706611 TZCLXJBTBXHZCS-HSZRJFAPSA-N 347.527 5.173 0 1 EKAF C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1cccc2ccccc12 96930059 KDQZVKMGGXHOSY-SFHVURJKSA-N 331.503 6.330 0 1 EKAF COc1cc2c(cc1[C@@H](C)OCCc1ccccc1)C=CC(C)(C)O2 96932030 KLUUOMBAHLAWDD-MRXNPFEDSA-N 338.447 5.200 0 1 EKAF C[C@@H]1CC(=O)[C@H]2C(=Nc3ccccc3S[C@@H]2c2ccc(F)cc2)C1 138926817 IEBXVUYCNGUPMQ-NXXCRTJYSA-N 339.435 5.360 0 1 EKAF O=C(O)c1ccccc1SCc1cccc(Oc2ccccc2)c1 261109246 HTWSVHDLSTVTQZ-UHFFFAOYSA-N 336.412 5.469 0 1 EKAF Oc1ccc2scc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2c1 587033057 QIHKESPCUKYAPV-UHFFFAOYSA-N 334.322 5.169 0 1 EKAF Fc1cnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063436 VESOGSFIWMTZPY-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SCC(C)C)cc1)O2 587409582 MQKRCTSLUBWDSD-LJQANCHMSA-N 341.476 5.032 0 1 EKAF CCCC[C@H](CC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819013 KMJZCVKJNMPITL-PRXAMGSTSA-N 342.296 5.380 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2c(F)cnc(Br)c2[nH]1 587966252 BMZFFQXCSNLXOU-JXMROGBWSA-N 338.224 5.009 0 1 EKAF Cc1ccc(-n2cccc2[C@@H]2NCCc3c2sc(C)c3C)c(C)c1 963027198 SFSPSMNMERQKNX-FQEVSTJZSA-N 336.504 5.008 0 1 EKAF O=C(O)[C@@H](CC=CCCCCCCCC[C@H]1C=CCC1)CCCO 2356776579 YEAXILKLGNDILA-PMACEKPBSA-N 336.516 5.493 0 1 EKAF O=C(CSc1ccc(F)cc1)c1ccc2c(c1)-c1ccccc1C2 3353515 VIBPYADSFNKCIS-UHFFFAOYSA-N 334.415 5.372 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)C(=O)O 13540451 CQJGVSCAFSXDSB-RCCFBDPRSA-N 326.521 5.715 0 1 EKAF in-vitro CC(C)c1ccc(O[C@H](C(=O)O)[C@H](C)c2ccc(Cl)cc2)cc1 13604903 RHJPGUNXIJGGHN-ACJLOTCBSA-N 332.827 5.099 0 1 EKAF CCCCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1 27523738 WQSHUNKAFGHQCW-UHFFFAOYSA-N 346.434 5.342 0 1 EKAF Cc1ccc(SCCCCC[C@H](CN)c2ccc(F)cc2)cc1 27765204 JJBWIXHOEBRSFT-GOSISDBHSA-N 331.500 5.529 0 1 EKAF Cc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28129766 WJCYDCXDOISJPQ-PSWAGMNNSA-N 340.470 5.412 0 1 EKAF C[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C 64633752 GVFFAMRIFGYUEO-BWHYSAMPSA-N 344.627 7.718 0 1 EKAF in-vitro C[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1Cl 66097842 XQYODJPYRZMHCQ-AWEZNQCLSA-N 329.871 5.057 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)Oc2cccc(-c3ccccc3)c2)c1 84742304 QSXJGKLIFCEOSQ-UHFFFAOYSA-N 345.442 6.396 0 1 EKAF COc1ccccc1-c1nnc(Nc2ccc(C)cc2)c2ccccc12 95594600 GASGLDKRSLEVJC-UHFFFAOYSA-N 341.414 5.357 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2CCc1ccccc1 169341249 KCICRXGLELYHLS-MBDNFAEBSA-N 339.910 5.539 0 1 EKAF COc1ccccc1-c1cc2c(Nc3ccccc3)ncnc2s1 299856241 CLYVSRZWCPSKDG-UHFFFAOYSA-N 333.416 5.111 0 1 EKAF CCC1=Cc2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O 587100007 CTEYFGYQAGIOOR-UHFFFAOYSA-N 325.411 5.494 0 1 EKAF CCCC[C@H](CC)c1cnc2cccc3c2c1-c1ccccc1C3=O 587208015 PQTNHBNLDFLZED-HNNXBMFYSA-N 329.443 6.130 0 1 EKAF O=C1C[C@@]2(C[C@H]3CCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587529121 JJFDTGREVXAVAO-MZNJEOGPSA-N 344.454 5.250 0 1 EKAF CCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810033 BTGNSPSQTUNQKI-PXAZEXFGSA-N 342.296 5.308 0 1 EKAF CCCC[C@@H]1CCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962696493 FSXMVXFHGLPZTL-LZJOCLMNSA-N 347.543 5.375 0 1 EKAF Fc1cccc(F)c1-c1cnc(Cl)n1-c1ccc(Cl)cc1 1772587824 ZGQKXCCEYLSHLQ-UHFFFAOYSA-N 325.145 5.124 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772657251 LHBADYYBUYJPSM-RJKARWBRSA-N 349.518 5.399 0 1 EKAF Cc1[nH]c2ccc(-c3ccccc3)cc2c1CCNCc1ccccc1 1857536905 INPDYCGYCMXUJB-UHFFFAOYSA-N 340.470 5.476 0 1 EKAF CC1CCC(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC1 1857770711 HHAPSFSWSZPPGW-UHFFFAOYSA-N 342.386 5.080 0 1 EKAF COc1ccccc1-c1sc2ccccc2c1-c1ccccc1OC 36388661 XYXKKOSRNBVXQS-UHFFFAOYSA-N 346.451 6.253 0 3 EKAF O=C(O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1 13726619 AMKKYYBUIIENSF-UHFFFAOYSA-N 346.492 5.207 0 1 EKAF C(=C/c1ccccc1OCCCCN1CCCCC1)\c1ccccc1 27726157 DZUMOICABHIUTM-FOCLMDBBSA-N 335.491 5.502 0 1 EKAF Oc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl 29060819 WAXFANKFAQHYIV-UHFFFAOYSA-N 346.213 5.477 0 1 EKAF CCCn1nc(-c2ccccc2)c2c1/C(=C/c1ccccc1)CSC2 29309981 MQZVCGZQIZPWSW-XMHGGMMESA-N 346.499 5.748 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCO)CCCC(=O)O 40504798 NFLZCRPSCIQSLW-CGVLYMEPSA-N 348.527 5.825 0 1 EKAF Clc1ccc(-n2ncc3c2-c2ccc(Cl)cc2SC3)cc1 40933521 FAKDXZBPSPWTFH-UHFFFAOYSA-N 333.243 5.452 0 1 EKAF Cc1c2c(c3cc(-c4ccc(Cl)nc4)oc3c1C)CCC(C)(C)O2 43013697 WRXJXJFTCOFTRW-UHFFFAOYSA-N 341.838 5.869 0 1 EKAF CCSc1nnc(-c2ccccc2COc2ccc(Cl)cc2)o1 64454443 XKTOKBUERZYATG-UHFFFAOYSA-N 346.839 5.081 0 1 EKAF CCCCCC[C@H](C)NCc1coc(-c2ccccc2OCC)n1 72184407 WQKVFGYNKGXDHZ-INIZCTEOSA-N 330.472 5.189 0 1 EKAF Clc1cc(/C=C\CC2CCCCCC2)ccc1C1CCCCC1 72190105 NDXQJQCGBAIFER-WQLSENKSSA-N 330.943 7.761 0 1 EKAF world CC[C@H](C)CCCCCCCCC(=O)N1CCC[C@H]1c1cccnc1 196210543 APYXZXZRBMHACR-FPOVZHCZSA-N 344.543 5.912 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc12 587070926 YJIUMJKNBKUXOP-CYBMUJFWSA-N 326.827 5.210 0 1 EKAF CC(C)(C)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074150 REZFSGPYWXLSGJ-UHFFFAOYSA-N 338.882 5.984 0 1 EKAF Clc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc2n1 587085103 KBRYIEMSMBDDJH-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF CC[C@@]1(C)C=Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100049 DZHHSIXUURLBDS-DEOSSOPVSA-N 339.438 5.740 0 1 EKAF CCOc1cc(/C=C/c2nc3ccc(C)cc3[nH]2)ccc1OC(F)F 587130007 IWGLEIDSMVROTM-RMKNXTFCSA-N 344.361 5.042 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587153121 WCTAXKPTRVGSFS-VHSXEESVSA-N 338.279 5.131 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccccc3C(F)(F)F)c2c1 587642292 QWYBVYUGYKNOHQ-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587967412 JQUKOHBSSORBCT-YRNVUSSQSA-N 342.792 6.385 0 1 EKAF COc1ccc2c(c1)[C@](C)(c1cccc3ccccc13)N(C(C)C)CC2 962094003 VIWVBGNEUWSDFS-DEOSSOPVSA-N 345.486 5.378 0 1 EKAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3ccccc3)c2)cc1 1857568288 QAYYETCWKKCPHB-UHFFFAOYSA-N 343.426 5.128 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)C[C@@H]1C(C)(C)CCC[C@@]21C 2356657135 VYSMXKSBLCBXET-UZKOGDIHSA-N 344.495 5.256 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C 2356688838 OCOYHOXMCJVVSI-LZKITUNOSA-N 330.468 5.007 0 1 EKAF Cc1occc1C(=S)Nc1ccc(Cl)c(OCC(C)(C)C)c1 13474503 CCAIDGVYLWQFSQ-UHFFFAOYSA-N 337.872 5.454 0 1 EKAF CCCN(CCC)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1 13642442 GIUPCGLZOWLOPW-IFMALSPDSA-N 341.470 5.013 0 1 EKAF CC(C)c1c(Cl)sc2[nH]c(=S)c(-c3ccccc3)c(O)c12 13680022 AZTQZUOPBUKZNB-UHFFFAOYSA-N 335.881 6.108 0 1 EKAF CCC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)CC)c1O 25985146 YCCDUTQGSUSILQ-VAWYXSNFSA-N 337.507 6.333 0 1 EKAF CC1=C(/C=C/c2occc2/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 27657055 GEEFKEZJFGRKJY-RFJZBCCMSA-N 326.436 5.864 0 1 EKAF CC(C)CCc1cc(SCC(C)C)nc(SCC(C)C)n1 40954155 BDXDZFYHKUFHMK-UHFFFAOYSA-N 326.575 5.561 0 1 EKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1cccc(C)c1 45300952 YKJYCGHLMNPPIK-UHFFFAOYSA-N 335.447 5.122 0 1 EKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 95581318 FFHOZBSPIAPLQP-IBGZPJMESA-N 334.444 5.082 0 1 EKAF O=C(O)CCCCCCC/C=C\CCCCCCCCCCF 169621979 VPTLBQZTVHYNKN-RQOWECAXSA-N 328.512 6.838 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Cl)c(C)c3[nH]2)s1 587015006 VTUVRGYAUBQHOV-JTQLQIEISA-N 335.860 5.054 0 1 EKAF CC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165523 YKHRLSBWKOUSKY-UHFFFAOYSA-N 336.391 5.300 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccs3)s1)O2 587410850 QIXAELPWYVHAOF-AWEZNQCLSA-N 341.457 5.074 0 1 EKAF O=C1C[C@@](c2ccccc2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587525408 PIZXLEGJUGRJQR-XMMPIXPASA-N 346.470 5.616 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587627067 MZTHDYKEPWPOKO-HNNXBMFYSA-N 348.874 5.510 0 1 EKAF CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)[C@H](c3ccc(Cl)c(Cl)c3)[C@H]12 653813208 WSLOPNPQLFAHTK-YOACBEGTSA-N 349.301 6.049 0 1 EKAF O=C(O)c1c(O)cccc1CCCCCCCCc1ccccc1 1857617472 JRRWQPDZHPMCRC-UHFFFAOYSA-N 326.436 5.216 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2C2CCC3CC2)cc1 13835389 PJFSTCAIAQWJBR-UHFFFAOYSA-N 335.397 6.382 0 1 EKAF CCSC(Cn1ccnc1)(SCC)c1ccc2ccccc2c1 27855266 JEVCGCNIWMRUGP-UHFFFAOYSA-N 342.533 5.396 0 1 EKAF O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2sccc12 29335811 LBLUKZDJRQOAMW-UHFFFAOYSA-N 331.396 5.329 0 1 EKAF Clc1cccc(CNc2cc(Oc3cccc(Cl)c3)ncn2)c1 34334803 DRBCONHBHBQQIJ-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)OCC 34363625 HMSZURWPEYGCQR-CLEBDPORSA-N 348.527 5.666 0 1 EKAF Cc1ccccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 68204807 NJTSFQAUTJQGIM-UHFFFAOYSA-N 348.356 5.022 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC3CCC3)cc2)n1 72185722 JMFJJUGGBGJZNB-INIZCTEOSA-N 342.483 5.331 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Oc2ccccc2)cc1 95562504 NLMQXEACKGLLFE-REWPJTCUSA-N 347.502 5.903 0 1 EKAF OC1=C2Sc3cc(Cl)ccc3N=C2C[C@@H](c2ccccc2)C1 100796336 KMLXQGGKAVIFQI-GFCCVEGCSA-N 327.836 5.865 0 1 EKAF C[C@@H]1CN(CCCc2ccccc2)[C@@H]2CCC[C@]1(c1cccc(O)c1)C2 103292749 RKMDLNXNSVQXKI-CKUXNOBLSA-N 349.518 5.157 0 1 EKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1F 299862228 JLDNDVBPNNOHPP-UHFFFAOYSA-N 348.333 5.041 0 1 EKAF Fc1ccc(/C=C(\c2nc3ccc(F)cc3[nH]2)c2cccs2)cc1 587164256 OWHGEDLQNOTHBT-GDNBJRDFSA-N 338.382 5.492 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3ncc(Cl)cc3[nH]2)cc1 587164749 VYDJSXIDQLSOSC-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Cc1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587205813 FXMKFTIGLIXUIY-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF COc1cccc(-c2cc([C@@H]3CCOC3)nc3c2oc2ccccc23)c1 587366241 NBYZGXMLTZVWIK-OAHLLOKOSA-N 345.398 5.161 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1C)CC2=O 587462633 PVKSSZADSKZNBJ-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1OC(C1CCCC1)(C1CCCC1)CC2=O 587479271 CTNRLPCEQJEFAR-UHFFFAOYSA-N 342.479 5.429 0 1 EKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587520628 AZFOSELWIINKMZ-AAFXUOQASA-N 326.480 5.362 0 1 EKAF O=C1C[C@H](c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587534896 FTTQIFBRUMTOLI-LJQANCHMSA-N 334.440 5.487 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(OC)c2c1 587639936 AUVGXIZCSUATDG-LBPRGKRZSA-N 347.380 6.376 0 1 EKAF Cc1cc(Cl)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955341 HQBAMQQGGXGVEE-IBGZPJMESA-N 346.861 5.899 0 1 EKAF Cc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587956858 DDDKWPGYLFLMGI-UHFFFAOYSA-N 344.499 5.790 0 1 EKAF COc1ccc2c(c1)[C@@](C)(c1cccc(F)c1Cl)N(C(C)C)CC2 962096206 XQKKOLLCCIPQFQ-HXUWFJFHSA-N 347.861 5.018 0 1 EKAF Cc1cc2c(cc1F)[C@H](c1sccc1Oc1ccccc1)NCC2 962296715 HDVXWKUOTKCGRF-LJQANCHMSA-N 339.435 5.223 0 1 EKAF CC(=CCCc1ccoc1)CCC=C(C)CCCC1=CC(=O)OC1 2356593769 WCHKEOQZUQGPSS-UHFFFAOYSA-N 328.452 5.539 0 1 EKAF CC1(C)C2=CC(c3ccco3)=C[C](c3ccccc3)N2c2ccccc21 2356854860 KKVOBJLQELBMGN-UHFFFAOYSA-N 338.430 5.939 0 1 EKAF CCC=CCC=CCC=CCC=CC[C@H](O)C=CC=CCCC(=O)O 2356876019 ZHBVYDMSPDDAKE-NRFANRHFSA-N 344.495 5.520 0 1 EKAF Cc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c(C)c1 13833485 OQWQDRNZODZFHJ-UHFFFAOYSA-N 336.479 5.327 0 1 EKAF CCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 26577161 DFRLPVMELUYXPH-UHFFFAOYSA-N 338.495 6.530 0 1 EKAF COc1cccc2c1ncc1c(C(C)C)cn(-c3ccccc3C)c12 26674895 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CCC=CCC=CC=C[C@H](O)CC=CCC=CCCCCCC(=O)O 2356342922 FYXSGJODUCMLMK-NRFANRHFSA-N 346.511 5.744 0 1 EKAF Cc1ccccc1-c1c[nH]c([C@H](O)c2ccc(-c3ccccc3)cc2)n1 61903337 WMJKFHHQWOASGQ-JOCHJYFZSA-N 340.426 5.134 0 3 EKAF Cc1ccc(-c2nc3ccc(C)cn3c2Cc2cccc(Cl)c2)cc1 95568870 OHAAGWQYTXZFLF-UHFFFAOYSA-N 346.861 5.862 0 3 EKAF CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc21 13487453 HXXGIDLDLCJJDB-UHFFFAOYSA-N 340.422 5.079 0 1 EKAF CC(=O)N1Cc2ccccc2CSc2cc(Cl)c(Cl)cc21 28572246 YXOBNIXWNUPVGJ-UHFFFAOYSA-N 338.259 5.152 0 1 EKAF COc1ccc2c(c1)CC[C@H](Cc1ccccc1-c1ccccc1)C2=O 64417350 PYYMPYPIZNKUNB-HXUWFJFHSA-N 342.438 5.350 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(-c3ccccc3)cc2)c1 84742312 YCZHIKCBXULRPP-UHFFFAOYSA-N 345.442 6.396 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 139247457 ZIAIXSVHMGDFMK-NHFPKVKZSA-N 333.519 6.428 0 1 EKAF N[C@@H]1CCC[C@@H](c2cc3c(-c4cccc(F)c4)c(Cl)cnc3[nH]2)C1 226064511 DKTNYYYSTIHWKL-BXUZGUMPSA-N 343.833 5.007 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586883738 LCTYGADNAPNQPU-PAKFGRKTSA-N 345.284 5.102 0 1 EKAF CCCCC1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 586886691 CQBCYXZINJSLLE-UHFFFAOYSA-N 342.380 6.185 0 1 EKAF OCCCCCCCCCCCc1nc2cc(Cl)cc(F)c2[nH]1 586894860 WRYFNNPGKPAEFY-UHFFFAOYSA-N 340.870 5.401 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccnc(Cl)c4[nH]3)c(C)s2)cc1 587013652 WHKBNRFIVRKUQP-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587152871 FJMQDSRMQKTHEC-UHFFFAOYSA-N 344.433 6.334 0 1 EKAF Cc1ccc(C)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587195102 BQNUJMFRQDPBHX-UHFFFAOYSA-N 341.458 5.387 0 1 EKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633725 KUFNFYVCKDXPFY-UHFFFAOYSA-N 335.300 5.060 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 587642925 QGXOKUBSSVDFBP-ZDUSSCGKSA-N 334.463 5.859 0 1 EKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCC[C@H](C(C)(C)C)CC1 963602604 ABDFMNWIBODBMY-PONJGIIJSA-N 345.527 5.060 0 1 EKAF O=C(NC1CCC2(CCCCC2)CC1)c1cc2c(F)cc(F)cc2[nH]1 1857606944 FQMYGGFYZZTJBK-UHFFFAOYSA-N 346.421 5.069 0 1 EKAF CCC=C(C)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356480689 MKULNXUVQXEUEY-JSOTWZDUSA-N 342.479 5.091 0 1 EKAF N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 26493867 CXFLGSOEVKCMNO-UHFFFAOYSA-N 345.490 5.259 0 1 EKAF C/C=C1\CC[C@H]2[C@@H]3CCc4cc(NC=O)c(OC)cc4[C@H]3CC[C@]12C 49032682 IABXYILWTDVBQZ-REMSLAHMSA-N 339.479 5.066 0 1 EKAF O=C1CCCC[C@@H]1[C@H](Nc1ccc(F)c(F)c1)c1ccccc1F 66262505 ARVVITKZTJPAHB-IFXJQAMLSA-N 333.353 5.016 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)cc1 586880548 NQOKXZPVBUPJPD-UHFFFAOYSA-N 344.389 5.547 0 1 EKAF CC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076782 OFDYVBKVGRLRIO-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF CC(C)(C)c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079197 AWHALIHSZZVQGS-MRXNPFEDSA-N 326.827 5.190 0 1 EKAF Cc1ccc2c3c(c([C@H](C)c4ccccc4)cnc13)-c1ccccc1C2=O 587099731 UIKSYXYSAUUYDN-MRXNPFEDSA-N 349.433 5.906 0 1 EKAF Fc1nc(Cl)ccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587177425 ISKTZJIPANUGNG-UHFFFAOYSA-N 347.724 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C)c1Cl)CC2=O 587461642 LJNKXFRWEWPYGI-QGZVFWFLSA-N 330.811 5.013 0 1 EKAF Fc1ccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1Cl 587628169 IMQLCHBRRVOUFR-UHFFFAOYSA-N 344.163 5.839 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1 587922642 GMWZIYXDMAODCO-UHFFFAOYSA-N 325.408 5.405 0 1 EKAF CC(=O)[C@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732084 WIWIXNXBHJVZNI-CLUDFLJMSA-N 344.539 5.151 0 1 EKAF Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccncc2)c1 38929448 REPFAPDRWGHNNN-UHFFFAOYSA-N 348.471 5.243 0 1 EKAF FCCCCSc1nnc(-c2cccc(-c3ccccc3F)c2)o1 64416966 PBFOWUXURDANBJ-UHFFFAOYSA-N 346.402 5.385 0 1 EKAF CCOc1ccc2c(c1)[C@H]1CC=C[C@H]1[C@H](c1ccccc1Cl)N2 71296630 FQYIROYAGCRRBO-BXTJHSDWSA-N 325.839 5.565 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@H]2CC[C@H]1N2C 100883046 OBQNBIYHGKLYKZ-GBEXAXCTSA-N 349.518 5.509 0 1 EKAF CC/C=C/CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990822 HOYYNKBIGSYGQD-ONEGZZNKSA-N 343.426 5.441 0 1 EKAF Cc1cc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c(C)n1 587015506 FZAYWWKTHQWNMV-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Clc1ccccc1NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587061775 JYNRIFFHRWMOAV-UHFFFAOYSA-N 349.821 5.621 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1C 587157737 FOJSAOUXGLQUFS-UHFFFAOYSA-N 344.389 5.465 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)c1 587233979 YKZIUAHFRWVXAU-UHFFFAOYSA-N 341.414 5.141 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)c(C)cc2[nH]1 587240046 FQTYELMYXSQAHF-UHFFFAOYSA-N 343.430 5.599 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccccc13)O2 587396446 KZQOSUJPTJMAHB-SFHVURJKSA-N 348.446 5.063 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3C)cc1)O2 587405502 LSCCVGNTYLFXIW-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(C)C)CC1)CC2=O 587478348 FRUUUOGTSHMCJJ-YCRPNKLZSA-N 330.468 5.285 0 1 EKAF Cc1ccccc1[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525912 SVYDIABGXJOWRC-QHCPKHFHSA-N 334.459 5.391 0 1 EKAF Cc1nc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2s1 587536649 YNGYMVLLMWJUNF-IBGZPJMESA-N 349.455 5.190 0 1 EKAF CC[C@H](C)C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813926 QQTKKNYZFORYKE-PRXAMGSTSA-N 342.296 5.164 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587967557 LAJHBWBGDWNQRE-XFFZJAGNSA-N 326.337 5.871 0 1 EKAF C[C@@]1(Cc2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962672379 XBIVAYJGDKCMDW-QHCPKHFHSA-N 331.434 5.096 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2[nH]c3ccccc3c2Cl)N1 962943355 GQHQPBPFIISCLQ-XUSGNXJCSA-N 349.865 5.316 0 1 EKAF COc1ccc2c(c1)C1(CCC(C)(c3ccccc3)CC1)N[C@H]1CC[C@H]21 962990999 CSEAFXYHZULBJY-RYUZMLRSSA-N 347.502 5.272 0 1 EKAF CC1=CC[C@H](C(C)C)c2cc(C)c(OC(=O)c3cccc(C)c3)cc21 1772646096 LCRNTYANBJOFNL-LJQANCHMSA-N 334.459 6.069 0 1 EKAF O=C(O)C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857564027 GSEBPFKPFGTVQS-LJQANCHMSA-N 341.410 5.442 0 1 EKAF CC(=O)c1cc(-c2ccc(F)cc2)cc2cc(-c3ccccc3)[nH]c12 1857619985 RMUOHQGOVSYSML-UHFFFAOYSA-N 329.374 5.844 0 1 EKAF CC=C1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356322439 FGSFYZNXYHDZKI-FQJIPJFPSA-N 344.539 5.907 0 1 EKAF CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356330500 LBGCQMWKTKHISP-RXDRQJMTSA-N 332.528 5.741 0 1 EKAF CCCCCCN1CC2CN(CCCCCC)CC(C1)C21CCCC1 26978998 LWAFNYFAIFLWFP-UHFFFAOYSA-N 348.619 5.571 0 1 EKAF Nc1nccc2ccc(-c3cccc(OCc4ccccc4)c3)cc12 45334969 XLKPRCOPEDDQOB-UHFFFAOYSA-N 326.399 5.063 0 1 EKAF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2C)o1 82177169 KRFYSZGQJPDEAD-UHFFFAOYSA-N 348.450 5.160 0 1 EKAF CC/C=C/C/C=C/C/C=C\CCCCCCCc1ccc(C=O)[nH]1 209607492 SBTDAFBYYGSBEE-KYNNUBNZSA-N 327.512 6.569 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2cc3c(cc2O1)[nH]c1cc(O)c(C)cc13 238761312 HHDQJDODXRZTMR-HSZRJFAPSA-N 347.458 6.246 0 1 EKAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 254156528 QPIUBKNTZMBLLI-CPSAJTAXSA-N 348.527 5.044 0 1 EKAF Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095532 JHXYWUIUFHBURV-UHFFFAOYSA-N 346.139 5.138 0 1 EKAF Cc1ccc2c3c(cc([C@H]4C[C@H]5C=C[C@H]4C5)nc13)-c1ccccc1C2=O 587099506 LJMUXGOXURXVHC-DOXZYTNZSA-N 337.422 5.434 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccsc3)cs1)O2 587408859 DVNCTGSYTASEIE-INIZCTEOSA-N 341.457 5.074 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cccs1)CC2=O 587495878 VGFUHHNMJWUPHL-IBGZPJMESA-N 330.449 5.067 0 1 EKAF CC1=C(C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)CCC1 587520803 AWDOVHIMVRLLBY-KRWDZBQOSA-N 338.491 5.816 0 1 EKAF CCc1oc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534835 ZQSXQSINKIZAOM-OAQYLSRUSA-N 346.426 5.581 0 1 EKAF Cc1ccc(-c2noc(-c3c(C)[nH]c4c(C)cc(Cl)cc34)n2)cc1 587626368 SELZQISJHICVBZ-UHFFFAOYSA-N 337.810 5.464 0 1 EKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)c2c(C)ccc(C)c2n1 587874473 BXPCZZJZTLPOEJ-UHFFFAOYSA-N 345.377 5.258 0 1 EKAF Fc1ccc(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)cc1F 587922098 KHNWAWZKXZQNEO-UHFFFAOYSA-N 331.431 5.556 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)c1 587933059 UHAHZZHBCDORAZ-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CSc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962665463 IFBJQIFBRDOOHT-QFIPXVFZSA-N 349.474 5.450 0 1 EKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 2356313277 VJQJLWQXARUKBF-SDJHNBRXSA-N 332.528 5.249 0 1 EKAF Fc1ccc(-c2cc(-c3ccc(Cl)cc3)oc2-c2ccncc2)cc1 3832163 XMEBUFZUJWSUHD-UHFFFAOYSA-N 349.792 6.468 0 1 EKAF CCCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671498 OGWVYTLFOOSLFA-XWJVLSSFSA-N 346.555 5.520 0 1 EKAF C[C@@H](CCCCCc1sccc1CCCc1ccccc1)C(=O)O 13726655 OWOZZOGNCPJVLM-KRWDZBQOSA-N 344.520 5.747 0 1 EKAF Fc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 13728586 FNJKJLLZOPKWHV-UHFFFAOYSA-N 348.465 5.419 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]2O 14410898 HCQUMJYLWCSLLR-ZOCZFRKYSA-N 332.484 5.045 0 1 EKAF CC(=O)N1Cc2cc(-c3ccccc3)ccc2CCc2ccccc21 28571314 VKGDBBHRRCHNMK-UHFFFAOYSA-N 327.427 5.005 0 1 EKAF NCCCCCCCCCCNc1ccnc2cc(Cl)ccc12 40891683 LMROUWGMTODWCN-UHFFFAOYSA-N 333.907 5.380 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@@H]3[C@@H]12 102184821 LXZYGXNGSMYQAG-PKQYLJLESA-N 330.512 5.366 0 1 EKAF CC1=CC(C)(C)Nc2ccc(Cc3ccc4nc(C)cc(C)c4c3)cc21 238778024 VTUDITSUUIDJOH-UHFFFAOYSA-N 342.486 6.050 0 1 EKAF Cc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1F 587069903 LYZGKVIIMUVKRO-NSHDSACASA-N 330.790 5.040 0 1 EKAF FC(F)(F)Oc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Cl 587133127 XVYNMQKURNBBPJ-UHFFFAOYSA-N 336.716 5.244 0 1 EKAF Cc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587146611 SJLWYHVTZDQKRT-UHFFFAOYSA-N 344.695 5.229 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(CCCC1)C3 587208500 XIRAFGGKDZIPRT-UHFFFAOYSA-N 339.438 5.495 0 1 EKAF CCn1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587516398 SFZBINOWCQXKBY-JOCHJYFZSA-N 345.442 5.247 0 1 EKAF C[C@H](Cc1ccccc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524523 OASQOSOHQQMFGT-WAIKUNEKSA-N 334.459 5.168 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587950695 CAVYGABQUJUURF-GHJWDPDVSA-N 340.389 5.628 0 1 EKAF CC/C(=C\c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(C)cc1 587965882 DKMAXWSNUCPFHG-XYOKQWHBSA-N 331.341 5.236 0 1 EKAF O=[S@](Cc1sccc1Cl)C(c1ccccc1)c1ccccc1 1772634877 BSRSVYCJTVSYKB-JOCHJYFZSA-N 346.904 5.440 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 2356632486 DARLMVMUSMRSIS-GOSISDBHSA-N 328.452 5.760 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@H](C)O)C[C@H]21 27632047 NLCXTZGJXGMFME-JCGIZDLHSA-N 344.495 5.097 0 1 EKAF FC(F)(F)c1cccc([C@@H]2SC3(CCNCC3)c3ccccc32)c1 27870067 YMWBTHSZJPLXTK-KRWDZBQOSA-N 349.421 5.120 0 1 EKAF COc1cccc(COc2ccccc2CCc2ccccc2)c1OC 29134858 XTPXWJXAQGAVBD-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF CN1CCC(C)(C)c2cc(C(=O)CCCC3CC3)cc(C(C)(C)C)c21 34469430 OAKBFGIOMMIGIP-UHFFFAOYSA-N 341.539 5.865 0 1 EKAF COc1ccc(-c2ssc(=S)c2-c2ccc(OC)cc2)cc1 40421619 CLEJIKNYKPUJCS-UHFFFAOYSA-N 346.498 5.890 0 1 EKAF in-vivo Oc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 49054035 AFAHHXXITHBNJC-UHFFFAOYSA-N 336.338 5.278 0 1 EKAF COc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1 58655363 OAGIXHIULRTXBT-UHFFFAOYSA-N 342.272 5.854 0 1 EKAF CCCCC(CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 59230251 GJWYBRFLOIAJTI-UHFFFAOYSA-N 340.507 6.381 0 1 EKAF CCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C 72178377 IGARRFYCLVMEJA-UHFFFAOYSA-N 338.282 5.668 0 1 EKAF Oc1ccc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)cc3)c2)cc1 84689869 ICUPUOLNNGGWKO-ZPUQHVIOSA-N 330.383 5.144 0 1 EKAF CCSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 103294804 UZZRTIKUXXOMNK-UHFFFAOYSA-N 333.416 5.064 0 1 EKAF Cc1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1 206951201 MCIKWXGSUUPGTR-UHFFFAOYSA-N 336.398 5.149 0 1 EKAF O=C(O)C[C@H](c1cccc(-c2ccccc2Cl)c1)c1nccs1 221096370 IBHRFUKKTZYPQU-OAHLLOKOSA-N 343.835 5.070 0 1 EKAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C 238778032 TWPKVIVCLJTFPY-NASSWSRMSA-N 334.500 5.040 0 1 EKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C)CC[C@@]4(C)[C@@H]3CC[C@]12C 255272065 USBYWNBXXQAKTB-YBBQXVSNSA-N 345.571 5.165 0 1 EKAF Cc1cc(C)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc(Cl)cc13)S2 299838696 QVEJHGXSADCRGN-GOSISDBHSA-N 341.863 5.858 0 1 EKAF c1ccc(Sc2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1 586905668 YDXBOIBPMXZQEN-UHFFFAOYSA-N 332.428 5.463 0 1 EKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc32)n1 587023889 RMTTWVKDRFBCPA-UHFFFAOYSA-N 348.456 5.272 0 1 EKAF Cc1cc(Cl)cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070373 SLIFZEMIPBSSJM-NSHDSACASA-N 347.245 5.555 0 1 EKAF Cc1c(Cl)ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c12 587098895 ZBUUYBAONZAONY-SECBINFHSA-N 338.760 5.695 0 1 EKAF Cc1nc2cccc3c2c(c1CC1CCCC1)-c1ccccc1C3=O 587205847 GIDAHEOCTFTNHD-UHFFFAOYSA-N 327.427 5.487 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1SC(C)(C)C)O2 587409943 OIOSLDYZUWLSAD-QGZVFWFLSA-N 341.476 5.174 0 1 EKAF C[C@@]1(c2csc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531474 KVGROEKGOSUFCJ-SFHVURJKSA-N 332.852 5.161 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(F)cc3)c(C(F)F)[nH]c12 587624275 IWOZCJCVGWEGAQ-UHFFFAOYSA-N 337.728 5.437 0 1 EKAF CCC[C@]1([C@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814230 SFWOVXZCOSRDLT-PSTGCABASA-N 342.296 5.164 0 1 EKAF CCC(CC)(CC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820023 NVGKGWLHRQQIOI-MEDUHNTESA-N 342.296 5.380 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)cc(F)c4[nH]3)c2)c1 587933569 QVIOBGZSBPIZMG-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC(C)Oc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587966212 AOTMGGDBKRGWHO-RAXLEYEMSA-N 328.415 5.674 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@@H](C)C=C[C@@H](C)C(C)C)C1=CC(=O)O2 2356518084 FCFUSYHGZLEMJM-KVEFOAQZSA-N 346.511 5.123 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@@H]32)[C@]5(C)C4)C1(C)C 2356570583 OOFXFLVLGBRHBD-UUPLBUIKSA-N 330.512 5.207 0 1 EKAF Clc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 13455510 XCJBSQTXFZYMHW-UHFFFAOYSA-N 325.883 5.210 0 1 EKAF O[C@@]1(c2ccccc2)[C@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 17158912 YZUUYMMQSJASJE-LSQMVHIFSA-N 338.450 5.066 0 1 EKAF Brc1cccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1 19892764 VCPQKOGBKDNWHV-QGPMSJSTSA-N 326.237 5.276 0 1 EKAF FC(F)(F)c1ccc(Cl)c(Nc2nc3cc(Cl)ccc3[nH]2)c1 40848092 SEJDBVJBMCYLJA-UHFFFAOYSA-N 346.139 5.632 0 1 EKAF CCCC1(CCC)CC(=O)[C@@H]([C@@H](c2ccccc2)C(C)(C)C)C(=O)O1 58522941 UFIWWBUKCPODDQ-RBUKOAKNSA-N 344.495 5.288 0 1 EKAF C[C@]1(c2cccc(/C=C/c3ccc(Cl)cc3)c2)CCSC(N)=N1 96174279 HNANTVXZSCPDJH-ZMBJWTFHSA-N 342.895 5.177 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586882303 ZTBRUQVWJZPFPM-UHFFFAOYSA-N 343.268 5.680 0 1 EKAF c1cc(-c2ccsc2)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 587027045 MZZOFOVILPYJIC-UHFFFAOYSA-N 326.424 6.112 0 1 EKAF FC(F)(F)c1ccc([C@@H]2Cc3nc4cccc5c4c(c32)CC5)cc1 587210115 FTAHMEQBUFQYKY-HNNXBMFYSA-N 325.333 5.040 0 1 EKAF CCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366112 RTKPWQAOJIZJPQ-UHFFFAOYSA-N 331.415 5.918 0 1 EKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587521976 DUDJFZSDAZXMGX-QHCPKHFHSA-N 342.438 5.734 0 1 EKAF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630164 GILRUWPFGPNGBV-UHFFFAOYSA-N 349.764 5.174 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)=O)c2c1 587640166 FIITZIGSJAIFSJ-LBPRGKRZSA-N 325.839 6.204 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3c(C)ccc(C)c3[nH]2)cc1 587938546 XCGAKZHGABLBMR-HXUWFJFHSA-N 342.442 5.369 0 1 EKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2c1ccc1ccccc21 1772636926 LBYPDBXDPYAINT-HSZRJFAPSA-N 349.449 5.095 0 1 EKAF CCCCCC=CCCCCCCCC(=O)c1c(O)cc(O)cc1O 2356413326 XCGABNXKJUDILN-UHFFFAOYSA-N 348.483 5.853 0 1 EKAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 17004397 LTDMCKMWCXEYTN-BHKIMXRYSA-N 330.512 5.049 0 3 EKAF Cc1c(C)c2c(c(-c3cc(-c4ccccc4)no3)c1O)CCC(C)(C)O2 72112029 IMUOBYHOYOUMAB-UHFFFAOYSA-N 349.430 5.435 0 1 EKAF Cn1c2c(c3ccccc31)[C@@H]1CC[C@@H](C2)N1CCCCc1ccccc1 100753690 WSPJJPNQUVUIAC-UGKGYDQZSA-N 344.502 5.263 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)OCC 169715933 MFNPOXBAFADXSN-NKXWDUBDSA-N 347.543 6.488 0 1 EKAF Cc1c(Cl)ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070673 TWBYAYIIYBZTKZ-JTQLQIEISA-N 347.245 5.555 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)CC3)c1 587366801 NAHQLKONTHWXDC-UHFFFAOYSA-N 341.410 6.006 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2ccc(F)c(Cl)c12 587629618 FFXIKVQEOIFLML-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2ccc(F)c(Cl)c12 587631884 YQWFVYSZPJWCSM-UHFFFAOYSA-N 338.810 5.575 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)cc1 587924793 JOWZKHZXHUYXAV-UHFFFAOYSA-N 339.529 6.497 0 1 EKAF Clc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 587949268 DMJSRGPJTXTZCN-RAXLEYEMSA-N 347.805 5.574 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587951287 GSKKQSIQKIQNMG-GMXABZIVSA-N 341.282 5.916 0 1 EKAF Cc1ccc2nc(-c3ccccc3Cl)c(NCc3ccccc3)n2c1 1772579236 HBPNCWKEFKPVFS-UHFFFAOYSA-N 347.849 5.575 0 1 EKAF CC(=CCCC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(C)cc2O1)CO 2356406101 MYAKCCHNPIRCLY-QFIPXVFZSA-N 342.479 5.310 0 1 EKAF CCCCC[C@@H]1O[C@H](CCCCCCCCC(=O)OC)[C@H](C)[C@H]1C 2356427203 RVTUJFHXENKYMN-YSTOQKLRSA-N 340.548 5.900 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)CCC=C(C)CC[C@H]2C[C@H]1OC2(C)C 2356475523 HRFZOWPZDZLMRV-TUNNFDKTSA-N 348.527 5.739 0 1 EKAF CC(=O)O[C@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@H]2C(C)C 2356801300 RLXJCCXGMIMKOS-LRSLUSHPSA-N 348.527 5.595 0 1 EKAF c1ccc(CNc2oc(-c3ccccc3)nc2-c2ccccc2)cc1 8860586 WLKDDMHPJDZPNA-UHFFFAOYSA-N 326.399 5.621 0 1 EKAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3)cccc12 13553471 JGILCQPWSSYFPW-UHFFFAOYSA-N 348.490 5.845 0 1 EKAF O=C(O)CCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1 13727282 OHVZCJCZQVRNCT-UHFFFAOYSA-N 349.430 5.586 0 1 EKAF CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1Br 13794386 YUEVFPATPSQDPG-UHFFFAOYSA-N 348.288 5.137 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C/C(=O)O)C(=O)O 14654703 XNZYMBLMYICBGE-SLSDTJSCSA-N 334.456 5.281 0 1 EKAF CC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)cc2occc12 15120517 LSXBPZXDSLLQJG-RIYZIHGNSA-N 328.408 5.299 0 1 EKAF C=C[C@]1(C)O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2C[C@@H]1OC(C)=O 15168646 KZMQJOCDCYRIJB-GOLQWDRCSA-N 348.527 5.284 0 1 EKAF biogenic CCCc1ccc([C@H]2NCc3c(Cl)cccc3-n3cccc32)cc1 28460968 URAHOLGAXYVGLQ-OAQYLSRUSA-N 336.866 5.276 0 1 EKAF c1ccc(CN2CCc3ccc4sc5ccccc5c4c3C2)cc1 36216433 NMEQBCGQBVHYSA-UHFFFAOYSA-N 329.468 5.613 0 1 EKAF C[C@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)C1CCCCC1 40434392 BQCAAQLKCYQZTH-SXWKCWPCSA-N 343.555 5.498 0 1 EKAF CC[C@H](c1ccc(O)c(Cl)c1)[C@H](CC)c1ccc(O)c(Cl)c1 40466663 CBJDAPHLKCZCIS-ZIAGYGMSSA-N 339.262 6.092 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CC)C[C@@H]21 141467422 UVOVZMNNIFECMK-QZTJIDSGSA-N 328.496 6.126 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)cc1 473124770 XAIJJXFXPNDSAA-UHFFFAOYSA-N 341.366 5.274 0 1 EKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586888536 KNGZGWNUHCSYRQ-QFYYESIMSA-N 335.234 5.015 0 1 EKAF CC(C)c1cc(-c2nc3ccc(F)c(F)c3[nH]2)c(O)c(C(C)C)c1 586896511 NBRMEWOPJKLJLL-UHFFFAOYSA-N 330.378 5.461 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)c(C)s2)cc1 587013391 NUVIDTHKAFYUPO-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF CC(C)(c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107798 WBXOYHVPQCIFMR-UHFFFAOYSA-N 349.433 5.772 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2cccc(C(C)(C)C)c2[nH]1 587155611 MTNKCQVHGZPREQ-MRXNPFEDSA-N 326.415 5.530 0 1 EKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587168537 ISNDDLXUSRNRHR-CQSZACIVSA-N 348.377 5.634 0 1 EKAF Cc1ccc(NC2(c3nc4ccc(C(C)(C)C)cc4[nH]3)CCCC2)cc1 587237840 ZNBJTCVUANHUBW-UHFFFAOYSA-N 347.506 6.050 0 1 EKAF Cc1cccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587405487 LPAQTNVOCNUONV-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF Cc1cc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2[nH]1 587526885 RRZBLVBABFSONC-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587629587 CREAJGWHMIIVFT-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc(C(C)C)cc1 587630737 BWXAUENASCOCJA-UHFFFAOYSA-N 344.817 5.645 0 1 EKAF Cc1ccc(CN2CCC(F)(F)[C@H](CCc3ccccc3)C2)cc1C 1772616372 SXMUZKWPWDKXAI-OAQYLSRUSA-N 343.461 5.393 0 1 EKAF C=C(C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1ccccc1 36387569 QFZKGASSJWYWMR-UHFFFAOYSA-N 336.475 5.900 0 3 EKAF C[C@@](O)(c1ccccc1)c1nc(-c2csc3ccccc23)cs1 61897347 MNIPOMNLMMHAJS-LJQANCHMSA-N 337.469 5.281 0 3 EKAF CCc1c(-c2ccccc2)ncn1Cc1cccc(-c2ccccc2)c1 95565526 GBNSRJDLCFLEQD-UHFFFAOYSA-N 338.454 5.828 0 3 EKAF CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCC3=CC(=O)CCC3=C12 28386698 IZUMHFDUSAWWQU-XNQPPGSRSA-N 342.523 5.360 0 1 EKAF Cc1cccc(C)c1Oc1ccc(OCCO[C@H]2CCCCO2)cc1 29489526 METMJVOTYRIMQJ-FQEVSTJZSA-N 342.435 5.018 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 39137929 ABMHRZWSHXQICN-HRPCGZKLSA-N 348.527 5.046 0 1 EKAF CCCCCCC1=C(c2ccccc2)[C@]2(OCCC)CCC[C@@H]2C1 71296729 GEPHZVSZKVIRFK-GGAORHGYSA-N 326.524 6.780 0 1 EKAF Clc1ccccc1CNc1cc(Oc2ccccc2Cl)ncn1 82068332 BYTYMHKWGYINFO-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF CC1CCC(Nc2cc(-c3ccccc3C(F)(F)F)ncn2)CC1 82161365 QUSIDIKDOWKLKI-UHFFFAOYSA-N 335.373 5.153 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2OC 238739807 KEQVPNIOSICVBG-JLHGSKIFSA-N 346.511 5.699 0 1 EKAF CCCc1cc(-c2nc(-c3ccccc3C(F)(F)F)cs2)ccn1 299830906 ZETUPRXVHLSBJL-UHFFFAOYSA-N 348.393 5.843 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1[C@@H](C)CC(C)C)-c1ccccc1C3=O 587099227 CUAPMYVDGPXOGS-HNNXBMFYSA-N 343.470 6.213 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(OC)cc4[nH]3)c2)c1 587160338 PEDSSXSHXYIJSU-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF CC(C)CCn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511744 IJYJRSZPZQQDMW-NRFANRHFSA-N 337.463 5.120 0 1 EKAF CC(C)[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520951 BKAYLIFDIWKTHL-JOCHJYFZSA-N 326.480 5.506 0 1 EKAF Cc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587521269 BFSQYXKTPUUVEU-OAQYLSRUSA-N 345.442 5.370 0 1 EKAF C[C@]1(c2cc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587536323 UMPCWBDGDTUBEF-JOCHJYFZSA-N 348.467 5.661 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 2356481981 DLDHCDKBXVNGMC-UHFFFAOYSA-N 349.474 6.276 0 1 EKAF CCC=CC=CC=CC=CCCCCCCCOC(=O)CC(C)C 2356506894 MDNVKZNPVLCVQP-UHFFFAOYSA-N 332.528 6.551 0 1 EKAF FC(F)(F)c1cc(CN[C@H]2CCC23CCCCC3)ccc1Cl 205707347 IJMJLEFBPSYHKN-HNNXBMFYSA-N 331.809 5.561 0 3 EKAF CC(=O)O[C@H](CCCCCCCCCCCCC(C)C)CC(=O)O 5715642 YDAMPLFSFQVIAZ-LJQANCHMSA-N 342.520 5.730 0 1 EKAF biogenic CCOCc1c(C)coc1-c1ccc2c(c1OC)CCCC2(C)C 45260674 BKURLXZOLAPLKR-UHFFFAOYSA-N 328.452 5.414 0 1 EKAF CCOc1ccc2c(c1)[C@H]1CC=C[C@@H]1[C@H](c1ccccc1Cl)N2 71296628 FQYIROYAGCRRBO-AUSJPIAWSA-N 325.839 5.565 0 1 EKAF O=c1c2c([nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)CCCC2 72107879 IBIQNUWEMGJYTE-UHFFFAOYSA-N 343.348 5.093 0 1 EKAF C=CC1=C(C)[C@@H]2C[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 238775804 YHLITXUMLUPSSE-SXFAUFNYSA-N 330.512 5.683 0 1 EKAF Fc1c(Cl)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1F 587026763 XKDHAYLBCVRUFP-UHFFFAOYSA-N 346.789 5.890 0 1 EKAF CSc1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587056017 YFSQLPJQFLFGKA-YVMONPNESA-N 335.259 5.762 0 1 EKAF C[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1C(F)(F)F 587097816 KUYPDPKTHSUCKE-LBPRGKRZSA-N 344.380 5.612 0 1 EKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)oc1C 587101479 NNGSOARXKXBUHW-UHFFFAOYSA-N 339.394 5.631 0 1 EKAF Cc1cccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526401 VGBQKVLKLIETKF-QHCPKHFHSA-N 334.459 5.231 0 1 EKAF CCCC[C@H](CC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819011 KMJZCVKJNMPITL-PEBVRCNWSA-N 342.296 5.380 0 1 EKAF Cc1sc2c(c1C)CCN[C@]2(C)c1ccc(-c2ccco2)s1 963011301 PBMDXUHARADGLI-GOSISDBHSA-N 329.490 5.096 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1cc(-c2ccccc2)nn1 1857771205 BQDNHCZPLFKYMM-FJNYLYSMSA-N 349.522 6.364 0 1 EKAF CC(C)[C@@H]1C=C[C@]2(C)Oc3ccccc3C[C@H]2CC[C@@](C)(O)CC1 2356454563 PHENPXQNEKYPGI-TZEULACYSA-N 328.496 5.150 0 1 EKAF CC(=CCC[C@H](C)CC(=O)O)CCC=C(C)CCCc1ccoc1 2356515459 PPIHVFQOURPZJE-IBGZPJMESA-N 332.484 6.166 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)CC(=O)O 2356697985 ZPVMUDKNKQSFJZ-CMKODMSKSA-N 328.537 5.651 0 1 EKAF CON(C)CCCCCCCCCCCCCCC1=CN(C)[CH]C=C1 2356870564 XSTSNBGNQZMKJG-UHFFFAOYSA-N 349.583 6.098 0 1 EKAF CCCc1ccc(C(OCCN(C)C)c2ccc(CCC)cc2)cc1 5509267 SBUWMEFKCJQAJY-UHFFFAOYSA-N 339.523 5.259 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 13302670 CZEPBGSMIRTHKN-IIBYNOLFSA-N 330.468 5.195 0 1 EKAF biogenic C[C@@H](C(=O)O)c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)c(F)c1 13672515 SWCLDFSCLHXNAM-CYBMUJFWSA-N 336.362 5.053 0 1 EKAF C1=C(c2ccccc2)C[C@@H](CN2CC=C(c3cccs3)CC2)CC1 13738843 RDVUGHRYXIWMDD-SFHVURJKSA-N 335.516 5.721 0 1 EKAF CC(=O)Oc1c(C)c2c3c(c1O)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H]2C=C(C)C 34226778 NLMOHWIGMGUSPG-MGBSGCIJSA-N 342.479 5.696 0 1 EKAF CCCCCCOc1ccc(O[C@H](C)/C=C(C)/C=C/C(=O)O)cc1 66102014 BJFIRHJMXXADLR-JYCVGTTCSA-N 332.440 5.000 0 1 EKAF CC(=O)CCCCCCCCCC/C=C/c1ccc2c(c1)OCO2 90759477 XSCQBXUNBGFDEK-ACCUITESSA-N 330.468 5.919 0 1 EKAF biogenic Cc1cc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)ccn1 96940161 FVBWEVCVAGCSKX-UHFFFAOYSA-N 341.410 5.447 0 1 EKAF CC(C)=CCC/C(C)=C/COC(=O)/C=C/c1ccc(C(C)C)cc1 103193466 GRULVDXTVVPDQQ-YHJGWEFDSA-N 326.480 6.059 0 1 EKAF CCc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051010 RHMWKSFPXXHCFC-RYUDHWBXSA-N 331.246 5.703 0 1 EKAF CC(C)c1cc(C(C)C)c(C(=O)c2coc3ccccc23)c(C(C)C)c1 587280631 OBSIRIMXHQQUMO-UHFFFAOYSA-N 348.486 7.034 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccccc3Br)c2c1 587639457 WQDUPKXBRDZECW-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF Clc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Cl 587781421 UYMNAAKJRNGICP-QPJJXVBHSA-N 333.218 5.100 0 1 EKAF C[C@]1(c2ccc(-c3ccsc3)s2)NCCc2cc(Cl)ccc21 963390177 GIDIMVQLTBICCL-SFHVURJKSA-N 345.920 5.539 0 1 EKAF CO[C@H]1OC2(CCC(N(C)CC3CCCCC3)CC2)c2ccccc21 1857562873 UPNXBNHFBWGINS-QUENFVSXSA-N 343.511 5.012 0 1 EKAF CCCc1ccc(-c2cn([C@@H]3CCCCc4ccccc43)nn2)cc1 1857582211 GXKLPZJNVPPTRQ-JOCHJYFZSA-N 331.463 5.213 0 1 EKAF Clc1ccc(Oc2ccc(Nc3ccccc3)cc2)c(Cl)c1 1857758627 VIPZPIOLIACOEK-UHFFFAOYSA-N 330.214 6.529 0 1 EKAF CCO[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C=C1C(C)C 2356466075 SEYOTWWUZJJIRX-XZAAFUHCSA-N 346.511 5.221 0 1 EKAF COc1cccc(-c2nc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 96018648 WCXQZQIAYNVCMP-UHFFFAOYSA-N 346.817 5.626 0 3 EKAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccccc1 13600216 ULFIJMOTDRIEPH-DEOSSOPVSA-N 340.470 5.253 0 1 EKAF O=C(O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1 14978928 CWFVCFQYWKQQLI-UHFFFAOYSA-N 347.414 5.108 0 1 EKAF CCCCCC[C@H](C)CCCCCCCCCOC[C@@H](O)CO 15261818 MUFIFXIVKHSXDD-PMACEKPBSA-N 330.553 5.084 0 1 EKAF biogenic CCCCCc1cc2c(c(C(N)=O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45356341 XSWWJHJDEBCLHT-SJLPKXTDSA-N 341.495 5.129 0 1 EKAF Cc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 64548841 OMOUNMGCKOCEOH-HSZRJFAPSA-N 349.474 5.218 0 1 EKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21 72119832 POTYSOHJWQONMV-UHFFFAOYSA-N 342.442 5.611 0 1 EKAF CCCCCC[C@@H](C)CCCCCCCCCCCC[C@@H](O)CO 102186344 HVCZYABNQXPMMX-FGZHOGPDSA-N 342.608 6.627 0 1 EKAF O[C@H]1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1 169295747 UCXPRAJDTFLIAK-QPTUXGOLSA-N 326.439 5.402 0 1 EKAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)O)[C@@H]12 254156536 QPIUBKNTZMBLLI-RMJIQZSRSA-N 348.527 5.044 0 1 EKAF Fc1cc(F)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196243 PGWMZKCBERUSBB-UHFFFAOYSA-N 349.384 5.048 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccsc1C3 587207035 AVALWMDNFBGVPM-UHFFFAOYSA-N 325.392 5.079 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)c1 587232875 DQRXNHLJFOPAJC-UHFFFAOYSA-N 327.431 5.555 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccccc3F)c1)O2 587386993 YOMJCFDDEJKNKY-NRFANRHFSA-N 347.389 5.090 0 1 EKAF CCCC[C@@]1(c2ncccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587518101 AUZCWMFSZFRVBZ-QHCPKHFHSA-N 349.474 5.320 0 1 EKAF CC[C@]1(c2ccc(C(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963111098 QZSXSEMNVVHPQU-GMAHTHKFSA-N 337.482 5.623 0 1 EKAF CCO[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C=C1C(C)C 2356466072 SEYOTWWUZJJIRX-DGYCAGFBSA-N 346.511 5.221 0 1 EKAF O=C(O)c1cn(Cc2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1 6535812 LOWLDRNDDVQYLB-UHFFFAOYSA-N 346.213 5.208 0 1 EKAF CC(C)=CCC/C(C)=C/CNC(=N)NC/C=C(\C)CCC=C(C)C 13378013 WWGVMWNCEFTAEP-IWGRKNQJSA-N 331.548 5.486 0 1 EKAF Fc1ccc([C@@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 27992394 MALCWMVQYCUXPR-LJQANCHMSA-N 338.426 6.091 0 1 EKAF CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\[C@]12C[C@@]1(C)CCCC2(C)C 28229952 ZQAZXAXJQNKOAF-LBDPZSJFSA-N 342.523 6.161 0 1 EKAF Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NCc2ccccc2)n1 28824790 VFZYRKLFGSVMIF-UHFFFAOYSA-N 343.352 5.083 0 1 EKAF CSc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 33864783 FQMZGTBMIZKLPL-UHFFFAOYSA-N 348.258 5.234 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)CCCC(=O)O 45364919 OCUNZXSKUXKLRK-NWLVNBMCSA-N 334.500 6.010 0 1 EKAF CCCCc1cnc(/C=C/c2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49045859 UHYTWWXQVMCSAC-SDNWHVSQSA-N 346.430 5.288 0 1 EKAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1 58617458 FIXYHCKZCXMIME-WJONBXBPSA-N 330.512 5.147 0 1 EKAF Cc1ccc(Nc2nnc(-c3ccccc3Cl)c3ccccc23)cc1 95594211 ZZECIOTWJGZQLJ-UHFFFAOYSA-N 345.833 6.002 0 1 EKAF COc1cc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)ccc1O 96913160 IWAXDKIPUBCHLU-BJQRDSPESA-N 345.442 5.336 0 1 EKAF CC(C)(C)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017276 KJXRVKBOVATXJC-UHFFFAOYSA-N 337.448 5.168 0 1 EKAF CCc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051007 RHMWKSFPXXHCFC-NWDGAFQWSA-N 331.246 5.703 0 1 EKAF Cc1c(F)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1F 587133068 PJUXHIALIRJEJL-UHFFFAOYSA-N 336.341 5.609 0 1 EKAF O=C(c1ccccc1OC(F)(F)F)c1coc2ccc(Cl)cc12 587279050 UWXRIDQHHVTHAZ-UHFFFAOYSA-N 340.684 5.216 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(C)cc1C)CC2=O 587489442 OOEWDXCBJZQHSQ-JOCHJYFZSA-N 338.447 5.151 0 1 EKAF Cc1cc(Cl)cc(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503473 UQCSYKDDXUHGSJ-IBGZPJMESA-N 340.850 5.542 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(O)c2c1 587638193 CGRSXSMPSVMMOM-LLVKDONJSA-N 344.252 5.817 0 1 EKAF CC(C)(C)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587949893 FDYIOLNQJWPBFK-UHFFFAOYSA-N 338.495 5.346 0 1 EKAF CCC[C@]1(c2ccc(F)cc2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962942709 BVUNERKCNSEEJU-VGOFRKELSA-N 336.454 5.275 0 1 EKAF FC(F)(F)c1cc(CN[C@@H]2CCC23CCCCC3)ccc1Cl 205707332 IJMJLEFBPSYHKN-OAHLLOKOSA-N 331.809 5.561 0 3 EKAF Cc1cccc(-c2cc3cc(C)ccc3c(NCc3ccccc3)n2)c1 27518484 BIVQEDQITFPTII-UHFFFAOYSA-N 338.454 6.131 0 1 EKAF CC(C)(C)CC[C@@]1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1 58581028 BINJCVHVYJSTMI-QGZVFWFLSA-N 346.273 5.121 0 1 EKAF COc1ccc(Oc2cc(NC3CCCCC3)ncn2)c2ccccc12 82067584 LJDBGVZZJOPXQA-UHFFFAOYSA-N 349.434 5.175 0 1 EKAF CC(C)(C)c1ccc(-c2cc(NC3Cc4ccccc4C3)ncn2)cc1 82162293 GDYWLUPPSIBBIL-UHFFFAOYSA-N 343.474 5.020 0 1 EKAF CSc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 299822343 QAILJTHFWNPERM-UHFFFAOYSA-N 346.908 6.237 0 1 EKAF OCCCCCCCCCCCc1nc2ccc3ncccc3c2[nH]1 586894686 QSFGMTLKYGWWIA-UHFFFAOYSA-N 339.483 5.157 0 1 EKAF CSc1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067649 JEKLOTJAFJOXTF-LLVKDONJSA-N 332.856 5.387 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCCCC1)O2 587405040 ISEFVTGLVZBDPB-QFIPXVFZSA-N 335.447 5.018 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3c(C)cccc3c1C)CC2=O 587482712 JXZLOQAEGZDYLV-IBGZPJMESA-N 349.430 5.149 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3ccsc13)CC2=O 587497432 WCYGMNYQINZAFA-GOSISDBHSA-N 338.428 5.266 0 1 EKAF CCC[C@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3 587535186 JBEASXRMZMBKRW-HXUWFJFHSA-N 326.461 5.288 0 1 EKAF CCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810055 BTGNSPSQTUNQKI-SJCJKPOMSA-N 342.296 5.308 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587930280 NVICNKMOIGWBIW-OPAMFIHVSA-N 334.463 5.314 0 1 EKAF Cc1ccc(C(C)C)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587944766 HDPRFUBODWNRDX-IBGZPJMESA-N 325.427 5.874 0 1 EKAF CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(c2cccc(O)c2)C3)cc1 1772600093 KRAVJMABYSXIPY-FGZHOGPDSA-N 349.518 5.600 0 1 EKAF Cc1ccc2nc(-c3ccccc3C)c(NCc3ccccc3)n2c1 1772601509 XAIBOTOTCQJXJL-UHFFFAOYSA-N 327.431 5.230 0 1 EKAF CC(=CC[C@@H](O)[C@H](C)CCCc1ccoc1)CCCc1ccoc1 2356621614 JSDMCZGFWDFWNE-WIYYLYMNSA-N 330.468 5.552 0 1 EKAF CC(C)c1ccc2c(c1)CC[C@H](c1ccc(C(C)(C)C)cc1)N2C(=N)N 26823286 RYNHWWHSEPSONN-HXUWFJFHSA-N 349.522 5.495 0 1 EKAF Cc1ccccc1O[C@H](Cn1ccnc1)c1ccc2ccccc2c1 27860886 NOMUWJSWUCQYIS-JOCHJYFZSA-N 328.415 5.165 0 1 EKAF C/C(=C\CCc1ccoc1)C[C@H]1C=C(C/C=C/c2ccoc2)C(=O)O1 33955799 RSURXMFKHSIZSB-NVMYMJKRSA-N 338.403 5.097 0 1 EKAF CC(=O)O[C@]1(C)CC/C=C(\C)C[C@@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 40391634 BYNSHSWWZXSBTC-VGDFVVJNSA-N 346.511 5.060 0 1 EKAF C1=Cc2ccccc2C(=C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 71295224 ZKCPMBXUVKYKAT-SQJMNOBHSA-N 341.498 5.867 0 1 EKAF Clc1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1 73294236 RQYALPIXORGKPB-JLHYYAGUSA-N 336.866 6.477 0 1 EKAF FC(F)(F)c1cccc(-c2ccc3nnc(-c4ccccc4)n3c2)c1 82082237 OQJVECXHORYPEL-UHFFFAOYSA-N 339.320 5.082 0 1 EKAF Oc1nc(-c2ccccc2Cl)nc2c1oc1ccc(Cl)cc12 84669645 PHERSJGVHFLHAP-UHFFFAOYSA-N 331.158 5.055 0 1 EKAF CCc1ccc(C(CCCN)(c2ccccc2)c2ccccc2)cc1 95581120 WODICWGGSGIADK-UHFFFAOYSA-N 329.487 5.322 0 1 EKAF CCc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1CC 586878882 KIYFPRBTFVJQQC-UHFFFAOYSA-N 347.231 5.256 0 1 EKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587148895 DSXIXFKTCJNQQD-NSHDSACASA-N 330.378 5.279 0 1 EKAF CC(C)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C 587208412 VTMJERPDDSOIIH-KSSFIOAISA-N 341.454 5.453 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3sccc3s1)CC2=O 587493225 CMLZLFGCYFKNAF-CQSZACIVSA-N 344.457 5.327 0 1 EKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501491 AVLRILCBAKLZHD-GOSISDBHSA-N 347.241 5.579 0 1 EKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(CC3CC3)n2)cc1 587923170 SEUXJEDLOCZWMC-UHFFFAOYSA-N 348.446 6.050 0 1 EKAF COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl 1772626375 USNYCMQXMOQTHK-UHFFFAOYSA-N 329.871 5.248 0 1 EKAF Oc1cccc2c1Cc1c(-c3ccccc3)cc(-c3ccccc3)nc1-2 1857542626 ZAPRGITVVJFMDS-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF Clc1ccccc1-c1c[nH]cc1[C@@H](c1ccccc1)n1ccnc1 5974696 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5.164 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(Cl)c1C 587869200 BYGIDPWYZRREEG-UHFFFAOYSA-N 330.790 5.039 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc(F)c2[nH]1 587955605 QXCHNKHWQQALGV-UHFFFAOYSA-N 347.231 5.099 0 1 EKAF C/C(=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCCC1 587967898 NJIRSZMHYOERPJ-YFHOEESVSA-N 342.792 6.219 0 1 EKAF Clc1ccc2c(c1)CCNC21c2ccccc2C=Cc2ccccc21 963389443 ACPZRGZICZDYQB-UHFFFAOYSA-N 343.857 5.261 0 1 EKAF C[C@H]([C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1)N(C)C 2356497514 PYDXFAVAROXWAK-JAIQXHKLSA-N 343.555 5.085 0 1 EKAF CC(=CC[C@H](O)[C@H](C)CCCc1ccoc1)CCCc1ccoc1 2356621612 JSDMCZGFWDFWNE-NQIIRXRSSA-N 330.468 5.552 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)sc(C)c1C 28257558 GUCYIHJFKKNILU-OUBJIBONSA-N 330.493 5.698 0 1 EKAF O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)cc1 45166901 IDQFFVHIQKTXHO-UHFFFAOYSA-N 348.789 5.249 0 1 EKAF CC[C@@H](C)c1ccc(-n2c(=O)oc3cc(C)ccc3c2=S)cc1 64549781 WTAVUSWMAPUPEA-CYBMUJFWSA-N 325.433 5.135 0 1 EKAF C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@H]1CCCC[C@H]1C 73387986 XVWDFPZSRGALNR-DJDHSFSDSA-N 344.499 5.152 0 1 EKAF Clc1ccc(-c2nnc(CCCc3c[nH]c4ccccc34)o2)cc1 96917138 FTKYOMUPNMEPPN-UHFFFAOYSA-N 337.810 5.047 0 1 EKAF C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 117091378 DHXALSJOFDCOHZ-VFZGTOFNSA-N 332.749 5.057 0 1 EKAF COc1cc(C)c2c(c1)C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)O2 238776002 NNFRWFGYSHMIQW-KUDIEGTJSA-N 340.507 6.641 0 1 EKAF Clc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586888035 VYOSEANHIMSJLF-KZULUSFZSA-N 329.230 5.241 0 1 EKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 587030755 KOPYBTXVBJKVBW-AWEZNQCLSA-N 347.487 5.830 0 1 EKAF Clc1ccc2c(c1)C[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)O2 587080406 MPPDVHVDXWKFMI-CYBMUJFWSA-N 339.609 5.199 0 1 EKAF COc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(C(F)(F)F)c1 587095887 YRANVRBKSNLOTJ-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF CCCC[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208222 SNAJSLHTLZBKSF-HNNXBMFYSA-N 341.454 5.741 0 1 EKAF Cc1nc2cccc3c2c(c1Cc1cccc(C(F)(F)F)c1)CC3 587210412 RHMNGZMVGICRIC-UHFFFAOYSA-N 327.349 5.251 0 1 EKAF Cc1ccccc1C[C@H]1COC[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772602638 QNCJSVFDLCFNPA-IRXDYDNUSA-N 335.274 5.350 0 1 EKAF CN(CC1CCCCC1)C1CCC2(CC1)OC=Cc1ccccc12 1857555337 DFGZNCBJYISTLB-UHFFFAOYSA-N 325.496 5.338 0 1 EKAF NCc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1 1857565057 ZEEBGORNQSEQBE-UHFFFAOYSA-N 344.336 5.018 0 1 EKAF CC(=O)O[C@@H]1Cc2c(cc3occc3c2C)[C@]2(C)CCCC(C)(C)[C@@H]12 2356668622 WITNZPLCRJEDQU-SJBKTWHCSA-N 340.463 5.313 0 1 EKAF Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c2ccccc12 8680096 VQEYKAXFBYWKJC-UHFFFAOYSA-N 327.383 5.661 0 3 EKAF aggregator CC(C)c1cccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)c1 61907901 YHEXXEYRDZDDIR-SFHVURJKSA-N 327.424 5.154 0 3 EKAF c1csc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)c1 13588182 YKJMMLPNQSTDLZ-UHFFFAOYSA-N 347.468 6.250 0 1 EKAF CC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 13760826 YFNAXUOEWYCQHW-SCYKMPJCSA-N 346.555 5.375 0 1 EKAF C/C(=C/c1ccc2c(c1)C(C)(C)CCS2)c1ccc(C(=O)O)cc1 13832720 IXFGZAXVTMBUTB-OWBHPGMISA-N 338.472 5.719 0 1 EKAF CC[C@@]1(c2ccccc2)OC2(CCC(N(C)C)CC2)c2ccccc21 27717883 MTCHPITZLFZUPM-HXJXPZHGSA-N 335.491 5.070 0 1 EKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@H]2c2ccc(O)cc2)CCC1 100636005 FKSXTBKQELDEJS-OAQYLSRUSA-N 341.410 5.759 0 1 EKAF Cc1ccc(-n2c(SC(C)C)nc3c4ccccc4nc-3c2O)cc1 100703959 YPVXFFFWMMSRAJ-UHFFFAOYSA-N 349.459 5.040 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCO 113638603 PFSJPCJFPSIUOO-HSZRJFAPSA-N 340.636 8.047 0 1 EKAF in-vitro Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]2CC1 169718541 YRAUEQUGXBLDBJ-GHMZBOCLSA-N 337.341 5.052 0 1 EKAF O=C(Nc1ncc(Cc2ccc3ccccc3c2)s1)c1ccccc1 299854617 ADQIXUOJZCXFOW-UHFFFAOYSA-N 344.439 5.139 0 1 EKAF Fc1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1Cl 587079167 AOSKMVRASCLHJT-UHFFFAOYSA-N 334.181 5.012 0 1 EKAF CC[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100430 JVRIFXAOZLPAIX-CQSZACIVSA-N 327.427 5.585 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4CC[C@H]3C4)nc3cccc1c23 587208202 RKFPAOXPOJCWOF-SUNYJGFJSA-N 325.411 5.350 0 1 EKAF COc1cccc(-c2cc([C@H](C)N=O)nc3c2oc2ccccc23)c1 587360576 PAZILTIZBMYKNB-LBPRGKRZSA-N 332.359 5.484 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)C1CCCCC1)CC2=O 587491792 ZLDXLWYGBNIISO-QKKBWIMNSA-N 330.468 5.285 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(CC(C)C)c(-c3cccc(Cl)c3)c2c1 587642302 RBTKDLNSQUUZMD-HNNXBMFYSA-N 339.910 7.200 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]1CCC=C(C)CC[C@H]2[C@H](C)CCC=C(C)C 2356358609 SOAIWELMVRCOAD-QQRBNAFBSA-N 346.511 5.252 0 1 EKAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@]1(O)C2 2356736719 KVODGEBXIXGZHI-MNXQRBMQSA-N 348.571 5.313 0 1 EKAF Cc1ccc2ccccc2c1[C@@H](O)c1nc(-c2ccccc2Cl)c[nH]1 61928193 PHPZNAANOKCNAA-HXUWFJFHSA-N 348.833 5.273 0 3 EKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1 199364418 IPMRTBUOSNFOFX-UHFFFAOYSA-N 338.863 5.615 0 3 EKAF CC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470778 CXCNKUDUMXKAFZ-INIZCTEOSA-N 335.447 5.813 0 1 EKAF CSc1ccc2c(c1)[C@@H](SCCN(C)C)Cc1ccccc1O2 27554326 OWVYTMCRJKKBAS-IBGZPJMESA-N 345.533 5.093 0 1 EKAF O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2)o1 28960853 DFNUJFUIJZWMGJ-UHFFFAOYSA-N 346.430 5.189 0 1 EKAF CCCCCCc1cc2ccccc2n1C(=O)CC1(CC(=O)O)CC1 103270834 QWKSDBHHSKTVRG-UHFFFAOYSA-N 341.451 5.049 0 1 EKAF CC(C)CCC[C@]1(C)CCc2cc(O)cc(Br)c2O1 208056971 MILZRWBBSBNLAT-MRXNPFEDSA-N 327.262 5.065 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085194 MUUGGAJOPRLIKN-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF Fc1cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587951416 ZPNBPFVPFUQQKM-ZHACJKMWSA-N 331.350 5.060 0 1 EKAF Cc1cc(NC(=O)c2c(-c3ccccc3)noc2C)ccc1C(C)C 1857547858 BGPGFQYNYCISPP-UHFFFAOYSA-N 334.419 5.334 0 1 EKAF CC(=CCO)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO 2356397210 JIYJKMAEDVTOQW-SFHLNBCPSA-N 326.565 5.727 0 1 EKAF CC=Cc1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1 2356654835 LXRVZJFJYYQBCU-UHFFFAOYSA-N 338.403 5.467 0 1 EKAF CC(C)CCCCCCCCCCCCC=COC[C@H](O)CO 2356760493 NMFGSVYEWMRKOM-HXUWFJFHSA-N 328.537 5.207 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 6001754 ANAMDWGJXBYJEB-OXWPKFAMSA-N 326.480 5.032 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2c1ccno1 26397826 ODOKPGQFNOPGEE-FBPWQFGJSA-N 337.463 5.200 0 1 EKAF CCCC[C@@H](CC)C(=O)Oc1cc(O)cc(/C=C/c2ccccc2)c1 28397078 UJLAVPXDPAKYLQ-JXOMPUQVSA-N 338.447 5.684 0 1 EKAF Clc1ccc2c(ccn2CCc2c[nH]c3ccc(Cl)cc23)c1 43020089 IXDIZOHXZOEHHN-UHFFFAOYSA-N 329.230 5.672 0 1 EKAF Oc1cccc([C@]23CCC[C@H](C2)N(C[C@@H]2C[C@H]2c2ccccc2)CC3)c1 66074819 BJIZSNKTBYAOCG-ZXHYAQOVSA-N 347.502 5.082 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@](C)(CCC=C(C)C)O2 95577246 PCLLEWWERMTJCL-QKKBWIMNSA-N 346.467 5.157 0 1 EKAF CC/C=C/c1ccc2c(c1)CN(CCC(C)C)C(=O)[C@H](CC(C)C)N2 95582081 UFEOBULCRTXVIZ-CQQBXOTJSA-N 342.527 5.325 0 1 EKAF CC/C=C/C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC 213298366 XKZIJJIPQXQYBG-ZCYOWALSSA-N 346.555 7.085 0 1 EKAF C=CSc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1 299837657 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326.399 5.076 0 1 EKAF Cc1ccc(C)c(Cc2cc(O)cc(NC(=O)C3CCCCC3)c2)c1 1857654304 WLBHFTSEHPRCHT-UHFFFAOYSA-N 337.463 5.119 0 1 EKAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 19851452 HZJRRCMQPKSHRC-GWIYSAMLSA-N 348.273 5.220 0 1 EKAF Cc1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12 27710262 SYDMYPUBSYYZJM-UHFFFAOYSA-N 327.383 5.509 0 1 EKAF CC1(C)C[C@H](O)C[C@](C)(CNc2cc(Cl)cc(C(F)(F)F)c2)C1 84614694 RIESLYDNHARKDP-HOCLYGCPSA-N 349.824 5.348 0 1 EKAF FC(F)(F)c1nc(Sc2ccc(Cl)cc2)c2ccccc2n1 84728955 UMQJJFPZABCSNA-UHFFFAOYSA-N 340.757 5.453 0 1 EKAF COC(=O)[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 238777868 OLSXWVKJHIFZKA-QIJZPMMNSA-N 330.468 5.164 0 1 EKAF C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@H]1C 299816893 XVWDFPZSRGALNR-RGCFKVTRSA-N 344.499 5.152 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cs2)o1 587017490 XFSMKZBMJSCQSF-UHFFFAOYSA-N 349.337 5.274 0 1 EKAF Clc1cccc(-c2cc(-c3nc4c5c(ccc4[nH]3)CCCC5)n[nH]2)c1 587068219 MBVDVMAZDAVWFT-UHFFFAOYSA-N 348.837 5.152 0 1 EKAF Cc1cc(Cl)cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c12 587098021 OONXPKCVMZECRY-SNVBAGLBSA-N 338.760 5.695 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587155634 NBBJTMLWBOEJRM-NSHDSACASA-N 340.732 5.164 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587160345 BIXXSLZUYNVHBD-RTBURBONSA-N 344.389 5.765 0 1 EKAF O=C1C[C@]2(CCc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587498259 DQFYGEWLDDGQNM-NRFANRHFSA-N 338.834 5.026 0 1 EKAF CC(C)c1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cc1 587633851 OKGTXFQXIUVPNR-UHFFFAOYSA-N 349.327 5.842 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccncc3)c(C(=O)C(F)(F)F)c2c1 587640315 HDCNKCRZWBJKLI-NSHDSACASA-N 346.352 5.488 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N3CCCC[C@@H]3CC)c2c1 587641950 IOHFHBAAIUVTTG-YOEHRIQHSA-N 326.484 5.395 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccncc3)c2c1 587644070 MJHMONRMOKQVMO-KRWDZBQOSA-N 340.470 6.719 0 1 EKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587967036 KTFWNKCGCCUECF-PSASIEDQSA-N 348.290 5.670 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587967210 IPNMWEUSGXQUDC-PTNGSMBKSA-N 346.478 5.544 0 1 EKAF Clc1ccc([C@H]2CC[C@@]3(C2)NCCc2cc(Cl)ccc23)cc1 963390386 IUPRUWJBBYZTKO-KXBFYZLASA-N 332.274 5.302 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccn2)nc2c1Cc1ccccc1-2 1772573425 HEYCDRIMHAGLAH-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cccnc3c2)cc1 13606871 DVQXSZAZWBIEPK-MDWZMJQESA-N 330.431 5.184 0 1 EKAF CC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878390 ORIBLMYUFXRADV-UHFFFAOYSA-N 338.882 5.375 0 1 EKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2ccccc2)cc1 45358183 FSKKTZPFXFTOGX-LJQANCHMSA-N 327.424 5.105 0 1 EKAF in-vivo CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)C(=O)CC 59903127 FHERSMHWJQVOBK-MSOLQXFVSA-N 342.520 5.118 0 1 EKAF Oc1c(Br)ccc2c1[nH]c1cc(Cl)c(Cl)cc12 64549675 JWRPBUGOHRYASA-UHFFFAOYSA-N 330.996 5.096 0 1 EKAF CCOc1cc(C(C)C)ccc1[C@@H]1COC(c2c(F)cccc2F)=N1 103287812 PUAYYCCQVPBTOI-KRWDZBQOSA-N 345.389 5.005 0 1 EKAF Cc1cccc2nc(-c3ccccc3Cl)c(NC3CCCC3)n12 117669551 WYEAYQDEADEZTM-UHFFFAOYSA-N 325.843 5.318 0 1 EKAF Cc1cc(O)c(C2=NO[C@H](c3ccccc3Cl)C2)c(C)c1Cl 299856658 DBPYERFQUFGJDE-HNNXBMFYSA-N 336.218 5.182 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586883207 IUPQTMSYZGCWSP-UHFFFAOYSA-N 327.214 5.998 0 1 EKAF CCc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163694 RETASCDXFPBRRF-UHFFFAOYSA-N 344.389 5.162 0 1 EKAF CCCCCc1c(CC)nc2cccc3c2c1-c1ccccc1C3=O 587205827 GCGRKKGMAZGCAA-UHFFFAOYSA-N 329.443 5.741 0 1 EKAF O=C1C[C@H](c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587500102 LUNQOTSPXNXKPF-GOSISDBHSA-N 347.241 5.579 0 1 EKAF CC(C)C[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526553 VRKVJAOJGVRFFJ-XMMPIXPASA-N 348.486 5.558 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1 587958955 IOPNEBSSHKBGDZ-UHFFFAOYSA-N 334.369 5.407 0 1 EKAF CC[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 13680286 KBCPRWWVTWWYJN-CYBMUJFWSA-N 325.433 5.274 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Cl)cc1Cl 103172649 JNHAZFDZPNGYFT-PVXIVEMSSA-N 329.267 5.611 0 1 EKAF CC(=O)O[C@]1(C)CC/C=C(\C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 238770693 BYNSHSWWZXSBTC-XPFGILODSA-N 346.511 5.060 0 1 EKAF Cc1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586883735 LCTYGADNAPNQPU-JWXAPSBJSA-N 345.284 5.102 0 1 EKAF CCCCCCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991960 RZCKPPRXNANATM-UHFFFAOYSA-N 345.442 5.583 0 1 EKAF Clc1ccc(C2(c3nc4ccc5c(c4[nH]3)CCCC5)CCC2)cc1 587073634 IOGRLEBTRLDNRU-UHFFFAOYSA-N 336.866 5.565 0 1 EKAF Cc1c(CCCC(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099450 IXAGEQRUQSMRSB-UHFFFAOYSA-N 343.470 6.042 0 1 EKAF COc1ccc(Cl)cc1-c1nc2cccc3c2c(c1C(C)C)CC3 587209788 XONSZZBXJMPMDK-UHFFFAOYSA-N 337.850 5.786 0 1 EKAF COc1cc2c3c(c1)O[C@](CC1CCCCC1)(C(C)(C)C)[C@@H](C2)C3=O 587445237 IZJAEZAUELGEED-JTSKRJEESA-N 342.479 5.198 0 1 EKAF Cc1ccc2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587531927 IXCOIPHIWMEUBS-NRFANRHFSA-N 346.426 5.635 0 1 EKAF CCC[C@]1([C@@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814229 SFWOVXZCOSRDLT-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF Fc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1F 587922126 IBOCRGSYDUCWED-UHFFFAOYSA-N 325.742 5.548 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(Cl)cc3Cl)n2)c1 587922390 NUHPPTPHDYMRJJ-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(C)c3[nH]2)cc1 587938318 UWMZFUNALOEXSE-FQEVSTJZSA-N 328.415 5.060 0 1 EKAF Cc1sc2c(c1C)CCN[C@H]2C[C@H](C)c1cn(C)c2ccccc12 963008142 JUQMBSLCCMEGCS-DJJJIMSYSA-N 338.520 5.237 0 1 EKAF CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1 2356488376 KASVLYINZPAMNS-UHFFFAOYSA-N 330.512 6.369 0 1 EKAF Cc1cccc(-c2nc(N(C)C3CCCCC3)c3ccccc3n2)c1 2452323 IQUNSLZKECERMT-UHFFFAOYSA-N 331.463 5.374 0 1 EKAF Cc1ccc(C(=O)CSC(=S)SCCc2ccccc2)cc1 28709963 KPBODSVFUHNMBT-UHFFFAOYSA-N 346.542 5.172 0 1 EKAF CC/C=C/[C@H](CC)C/C(=C/[C@@]1(CC)C[C@]2(CC)OC(=O)C[C@@H]2O1)CC 34094747 MRLHJEHWGDONOP-OZRWHZHGSA-N 348.527 5.739 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(O)cc2)o1 35259930 LYWGIAKTUZDFAK-UHFFFAOYSA-N 349.430 5.423 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(C(C)(C)C)c1 49112456 WYHPJJBMQPXVMG-AYOQOUSVSA-N 331.500 5.533 0 1 EKAF Clc1cc(Cl)cc(-c2nc3ccccn3c2-c2cccnc2)c1 95574228 IQAPYEOHBNPSAY-UHFFFAOYSA-N 340.213 5.370 0 1 EKAF Oc1ccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1 166886017 HOGWCJAXUSNYTB-AWNIVKPZSA-N 328.371 5.231 0 1 EKAF CN(Cc1ccccc1)c1ccc2nc(-c3cccc(Cl)c3)oc2n1 205324764 FOIHFZFCWPDSTI-UHFFFAOYSA-N 349.821 5.180 0 1 EKAF CC(C)Oc1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586963927 SKAGQKOUAGYPBG-CQSZACIVSA-N 326.465 5.345 0 1 EKAF C=Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991555 OJXSODRLFXDVGZ-UHFFFAOYSA-N 349.389 5.462 0 1 EKAF CCC[C@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099130 AVBDMFJLVPXBCB-ZDUSSCGKSA-N 329.443 5.967 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccccc3F)nc3cccc1c23 587103883 NXESAELHOGSZNE-UHFFFAOYSA-N 325.342 5.252 0 1 EKAF COc1cc2c3c(c1)O[C@@]1(CCCCCC14CCCCC4)[C@@H](C2)C3=O 587447190 NBMLNJPANWKVKR-JTSKRJEESA-N 340.463 5.096 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 587565940 XKRASNNSHWYWAN-UHFFFAOYSA-N 348.490 5.708 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)c(F)ccc3[nH]2)cc1 587931768 MVAJXFSHDNCIFX-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF CCCC(CCC)[C@@]1(c2ccccn2)NCCc2cc(C)c(F)cc21 962148749 USWXBPPNFSHULI-JOCHJYFZSA-N 340.486 5.135 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)nc3c2Cc2ccccc2-3)cc1 1772582465 NVKHANMYCYESPG-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCN2CCC[C@H](C)C2)cc1 1857536482 NABGTSWKHZDURR-IBGZPJMESA-N 331.544 5.655 0 1 EKAF COc1ccc([C@@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)cc1 61895980 ZBMOKFQCMHONKA-LJQANCHMSA-N 339.460 5.024 0 3 EKAF C[C@H](c1ccc(O)c(F)c1)[C@@H](CC(F)(F)F)c1ccc(O)c(F)c1 592 PRRSFMGODMUPJN-BXKDBHETSA-N 346.295 5.216 0 1 EKAF in-man Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(C(C)(C)C)no2)N3C)cc1 13532717 OEUNHOYSAHYKJP-OOSNJVJTSA-N 338.495 5.014 0 1 EKAF O=C(O)CCCC/C=C(\c1cccnc1)c1ccc2ccccc2c1 26740722 SEQKJPMEJZPHPM-FBHDLOMBSA-N 331.415 5.312 0 1 EKAF Cc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)s1 28087773 XWSZNWDVKNTVNC-UHFFFAOYSA-N 340.448 5.277 0 1 EKAF CSc1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 38853463 FFOVIUVZTYPAIB-INIZCTEOSA-N 346.521 5.168 0 1 EKAF CSc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1 73312063 FCZVDWWPWKSMOW-UHFFFAOYSA-N 328.521 5.989 0 1 EKAF Cc1cc2c(cc1C)N[C@@H](c1ccccn1)C1=C(O)CC(C)(C)CC1=N2 102664620 YBOCYKXDJUXDCE-NRFANRHFSA-N 347.462 5.570 0 1 EKAF Cc1cc(C)cc([C@@H](C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103283615 INBQPEQENJJSJK-GOSISDBHSA-N 344.458 5.416 0 1 EKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 586892059 SYXPYPWJXKNOIM-UHFFFAOYSA-N 342.380 6.185 0 1 EKAF Oc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163872 MGVHLAUPXSODAZ-XNTDXEJSSA-N 336.391 5.058 0 1 EKAF CC(C)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587208249 TZDZKHHQPGSJBK-AWEZNQCLSA-N 327.427 5.207 0 1 EKAF Cc1ccccc1OC(C)(C)C(=O)c1coc2ccc(Cl)cc12 587275618 COJFLZLPQZAEAE-UHFFFAOYSA-N 328.795 5.435 0 1 EKAF Clc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587950703 UDOHKDNDZWAOGH-RAXLEYEMSA-N 346.817 6.179 0 1 EKAF C/C=C/C=C/c1c(CC=C(C)C)cc(CC=C(C)C)c(O)c1CO 1857585980 JXRYYYLZGPTVQT-BLHCBFLLSA-N 326.480 5.491 0 1 EKAF COc1ccc2c(ccn2Cc2ccc(OCc3ccccc3)cc2)c1 1857771491 IOCFJTRKXVCEFA-UHFFFAOYSA-N 343.426 5.277 0 1 EKAF CC(C)=CC[C@@H]1CC(C)=C2OC(C)(C)[C@@H]3CC[C@]1(C)[C@]23C(=O)C(C)C 2356561438 DBACOFREEYSTTM-QNLWLWTNSA-N 344.539 6.073 0 1 EKAF Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cccnc2)cc1 27429182 ONEYSAJJOODYFE-UHFFFAOYSA-N 348.660 5.919 0 1 EKAF Clc1cc(Oc2ccccc2)ccc1OCCO[C@@H]1CCCCO1 29330349 BWWHYXXNJUWOKN-LJQANCHMSA-N 348.826 5.054 0 1 EKAF O=c1oc(OCCCCC2CCCCC2)c(Cl)c2ccccc12 40972384 MAGYWEOWOXOSQO-UHFFFAOYSA-N 334.843 5.576 0 1 EKAF Oc1ccc(-c2ccc(-c3ccc(O)cc3Cl)s2)c(Cl)c1 95592190 VTUSJVDCYSEYNA-UHFFFAOYSA-N 337.227 5.800 0 1 EKAF in-vitro CCCCCCC1=C/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 116043387 BXXMQNCDPMEIHH-GHRIWEEISA-N 337.467 5.731 0 1 EKAF C/C=C/c1ccc(O[C@@H](C)[C@@H](C)c2ccc(O)c(OC)c2)c(C)c1 238741486 DGSFXPJUZQZPMR-ZWOPJXCPSA-N 326.436 5.313 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccno1 253636837 RBGXPUBOKUORNP-UOICAXPBSA-N 341.495 5.082 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)cc(-c3ccccc3O)n2)c1 473121852 HSOGENCWSRKWJL-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCCCCCCCC1)CC2=O 587478751 HNCACMUSQGIBMR-UHFFFAOYSA-N 330.468 5.573 0 1 EKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631105 GGPPRNLJGPQQMD-VIFPVBQESA-N 340.826 5.109 0 1 EKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587637671 NDABYINGNVGLIP-UHFFFAOYSA-N 347.336 5.675 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C=C2CCCCC2)N1 587820958 RPNODTPVMMKGBC-PIGZYNQJSA-N 338.264 5.054 0 1 EKAF Cc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1C 587921007 PIDAWJVEXVDUIZ-UHFFFAOYSA-N 347.405 6.037 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(Cl)cc3Cl)n2)cc1F 587922432 QAYXOCVZPCGWJM-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(Cl)c3[nH]2)cc1 587932623 HVSKCNZHUBKHOT-IBGZPJMESA-N 348.833 5.405 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587952330 OYBATHQGTQEISC-NHCYSSNCSA-N 342.270 5.311 0 1 EKAF CC/C(=C\c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587967485 OCWLNYNNYRKAHG-JLHYYAGUSA-N 330.353 5.841 0 1 EKAF O=C(c1ccccc1Cl)c1cccnc1-c1cccc(Cl)c1 1857772981 ZHLGQMZBDQBIHO-UHFFFAOYSA-N 328.198 5.286 0 1 EKAF Cn1c([C@@H]2CC(C)(C)c3c2c2ccccc2n3C)cc2ccccc21 5498988 XBXVJTRNSNPOAB-KRWDZBQOSA-N 328.459 5.483 0 1 EKAF C[C@H]1CN(CCCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13832994 KUHRKDRJGGTHKQ-WMZHIEFXSA-N 337.507 5.015 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@@H](C)C(=O)O 14649192 JQTZSEREVATIFK-UAFMIMERSA-N 326.565 6.782 0 1 EKAF endogenous,in-man CCCCC[C@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 14946926 PFMMKGGPOLDMEE-BCFZOUMYSA-N 344.583 6.507 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@H]2CC[C@@H]1N2C 26572733 QRTMYRXFCOZLFS-XWSHUIEDSA-N 327.512 5.136 0 1 EKAF CC1(C)C(C(=O)c2cn(CCn3cccc3)c3ccccc23)C1(C)C 35930252 MTQZKYPRMZHIBT-UHFFFAOYSA-N 334.463 5.008 0 1 EKAF COc1ccc2nc(C)cc(NCc3cccc4ccccc34)c2c1 45195613 IGCPSILDAHBVKG-UHFFFAOYSA-N 328.415 5.317 0 1 EKAF COC(=O)c1c(Sc2ccc(Cl)cc2)c2cc(C)ccc2n1C 95583734 XGLWEDSSJPEVQY-UHFFFAOYSA-N 345.851 5.078 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCCC[C@]34C)[C@@H]1CC=C2c1cccnc1 169212590 BQQSILSOKQDNHY-IOIYHLTJSA-N 349.562 6.898 0 1 EKAF CC/C=C/[C@H](CC)C/C(C)=C/[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1 238763432 UXORUSKBVACZHJ-FKYOIFAGSA-N 334.500 5.349 0 1 EKAF CSc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048388 VCIIKFBTULCOKC-WDEREUQCSA-N 349.286 5.863 0 1 EKAF COc1cc2c3c(c1)O[C@](CCC1CCCC1)(C(C)(C)C)[C@@H](C2)C3=O 587443538 RANIAVAUFUFVFA-JTSKRJEESA-N 342.479 5.198 0 1 EKAF Fc1ccccc1-c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629714 YUTZFBYNEIFVBU-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC(C)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809558 ALFBLOHYYVKTDZ-SJKOYZFVSA-N 342.296 5.020 0 1 EKAF CCC[C@H](C)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812146 ILPSJWDTWRBTPB-PRXAMGSTSA-N 342.296 5.164 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccccn2)cc1 963258613 PJTZEKMADHWPQE-UUOWRZLLSA-N 342.486 5.495 0 1 EKAF Cc1cccc(C(=O)Oc2cc3c(C)ccc(C(C)C)c3cc2C)c1 1772643286 LYXBUBIUDYQIGO-UHFFFAOYSA-N 332.443 6.108 0 1 EKAF CCCCCc1cc2c3c(c1)OC(C)(C)[C@@H](CCC=C(C)O2)C3=O 2356742342 KVIOVSOUWUNPCR-INIZCTEOSA-N 328.452 5.466 0 1 EKAF N=C1CCCN1CCCCCCCCCCCCN1CCCC1=N 28865593 PWXAFDXTONTOST-UHFFFAOYSA-N 334.552 5.034 0 1 EKAF CC(C)(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 29044715 LJUYCVPMPFITBD-UHFFFAOYSA-N 348.855 5.027 0 1 EKAF CCN(CC)CCN1c2ccccc2Sc2ccc(Cl)cc21 29330202 NUFVNRAUHPTCFH-UHFFFAOYSA-N 332.900 5.285 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(-c3ccccc3)on1)O2 72113657 WKWVGODTOHNLJK-QFIPXVFZSA-N 349.430 5.213 0 1 EKAF COc1ccc2c(c1)C(CC(=O)O)=C(C)/C2=C/c1ccc(C(C)C)cc1 95591844 SOYSPFLVFJOTIU-JAIQZWGSSA-N 348.442 5.621 0 1 EKAF CCn1c2cc(OCCCc3ccccc3)ccc2c2ccnc(C)c21 95593732 IMILGNXNGVFKDE-UHFFFAOYSA-N 344.458 5.529 0 1 EKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023811 POCWPOWMARFMQG-UHFFFAOYSA-N 345.349 5.372 0 1 EKAF CC[C@@H]1CC[C@@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100331 GMNVGAKPCFOOBM-UKRRQHHQSA-N 341.454 6.146 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3ccc(Cl)nc3[nH]2)cc1F 587146106 ZRBSBQGGEHGJIE-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)cc1F 587146790 WQWFQNYBRWYRRJ-AATRIKPKSA-N 345.215 5.252 0 1 EKAF CCCCC[C@@]1(C(C)(C)C)CC(=O)c2ccc(O)c(CCC)c2O1 587488678 KKHMLKTWGOLUBH-NRFANRHFSA-N 332.484 5.675 0 1 EKAF CCN(C(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12)c1ccccc1C 587625018 YNFSBZBGZQNQFC-UHFFFAOYSA-N 340.854 5.413 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CC(=O)O)c2c1 587642214 QVUCPMMNDZIUDV-NSHDSACASA-N 342.826 5.024 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C)c(N3CCOCC3)c2c1 587643026 AQZCTDWOIKPLRC-MRXNPFEDSA-N 348.490 5.493 0 1 EKAF CC1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1 653701712 PRIYCCAAMDOHLV-UHFFFAOYSA-N 348.490 5.337 0 1 EKAF Fc1ccc2cc([C@H]3NCCc4cc(-c5ccccc5)ccc43)[nH]c2c1 962665526 IMBRTDMIQFNAAA-QHCPKHFHSA-N 342.417 5.209 0 1 EKAF CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 1857557199 SHLNXAGTOHBRSE-UHFFFAOYSA-N 346.474 5.244 0 1 EKAF c1ccc(-c2nc3c(NC4CCCC4)nc4ccccc4c3[nH]2)cc1 13491868 TXDVXSRTPPJJOT-UHFFFAOYSA-N 328.419 5.133 0 1 EKAF COc1c(C)cc(-c2ccc(/C=C/c3nc4ccccc4[nH]3)o2)cc1C 28861745 MHUKPFMTIKTTAJ-PKNBQFBNSA-N 344.414 5.619 0 1 EKAF c1ccc(-c2cccc(-c3cc(N[C@H]4C[C@@H]5CC[C@H]4C5)ncn3)c2)cc1 82162234 UMJGOGWRVQDZAK-BUVFEPMLSA-N 341.458 5.411 0 1 EKAF O=C(O[C@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c(Cl)c1 98084806 MVOZEZKIDVCPOK-KRWDZBQOSA-N 343.209 5.601 0 1 EKAF Oc1cccc(Cc2ccc(-c3n[nH]c4c3Cc3sccc3-4)cc2)c1 261182840 WLPCSWGMHOFCEM-UHFFFAOYSA-N 344.439 5.006 0 1 EKAF CCc1c([C@@H](C)CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991155 KFKBIZMBPIKFND-LBPRGKRZSA-N 331.415 5.228 0 1 EKAF Cc1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587051156 YFRGIEXLJAYCCQ-UHFFFAOYSA-N 346.817 5.671 0 1 EKAF Fc1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1Cl 587085397 QKYZWXOYNLEJOS-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF O=C1C[C@H](c2ccc3ccccc3c2O)Oc2c1ccc1c2CCCC1 587532283 KTSPADSIYYJNTM-OAQYLSRUSA-N 344.410 5.131 0 1 EKAF CC(C)=C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857646760 MFHAUAXQHRUSGK-UHFFFAOYSA-N 326.852 5.224 0 1 EKAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@]12C 2356311551 BNUOBHYLRSENSB-CSGHFTSRSA-N 330.512 5.517 0 1 EKAF CC(=O)Oc1cc(C)c(OC(C)=O)c(CC=C(C)CCC=C(C)C)c1 2356559992 RAISXEOPUCKKJW-UHFFFAOYSA-N 344.451 5.081 0 1 EKAF CCC[C@H](C)C[C@@H](C)C[C@H](C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356565705 IPVYZLACGWVYRC-ZNMIVQPWSA-N 334.500 5.854 0 1 EKAF CC(=O)Oc1c(CC=C(C)CCC=C(C)C)c(O)cc2occc12 2356676036 LSXBPZXDSLLQJG-UHFFFAOYSA-N 328.408 5.299 0 1 EKAF ClC(Cl)(Cl)c1nc(Nc2ccccc2)c2ccccc2n1 5595379 VQBNZVXRTHAMMA-UHFFFAOYSA-N 338.625 5.200 0 1 EKAF c1ccc2c(c1)CCc1ccccc1N2CCCCN1CCCCC1 26659453 RPCRULKHKZQYPC-UHFFFAOYSA-N 334.507 5.189 0 1 EKAF CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cn1 28756817 WBOSPAYRLVFELD-RHYUXORRSA-N 339.479 5.744 0 1 EKAF CC/C=C\C/C=C/C/C=C\CCCCCCCCCCCC(=O)O 31261544 WBBQTNCISCKUMU-PCMISOECSA-N 334.544 7.221 0 1 EKAF C[C@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1 40896238 DFRDBQPIIDBXKX-ZDUSSCGKSA-N 341.863 5.968 0 1 EKAF Clc1cc(Cl)cc(O[C@H](CCn2ccnc2)c2ccccc2)c1 40979201 DRVACNOTUXVALF-GOSISDBHSA-N 347.245 5.400 0 1 EKAF C[C@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl 45354945 DORFEDMRVQLEQT-JTQLQIEISA-N 336.193 5.821 0 1 EKAF CCc1cccc2ccn(C[C@@H](O)CSc3ccccc3Cl)c12 84704951 UUHMAMHYWPIJTN-MRXNPFEDSA-N 345.895 5.010 0 1 EKAF Cn1cc([C@@H](Nc2ccccn2)c2ccccc2Cl)c2ccccc21 95564353 XVPNRAROZBMGHP-NRFANRHFSA-N 347.849 5.428 0 1 EKAF Cc1nc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)s1 103175082 KDJZCHPEQKWJTK-UHFFFAOYSA-N 328.824 5.024 0 1 EKAF Cc1cc(Cl)ccc1Oc1coc(/C=C/c2ccsc2)cc1=O 141738962 BKKWCMOTJDVSJK-DUXPYHPUSA-N 344.819 5.626 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2F)s1 299859617 GARKEBPOALLALH-UHFFFAOYSA-N 346.471 5.172 0 1 EKAF Cc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Cl 586894937 HGHIZQQRRMXYMS-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF CCc1oc2ccccc2c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586903316 IWVKOZMBKLAWRW-UHFFFAOYSA-N 334.272 5.095 0 1 EKAF Cc1c(F)ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163418 PHZYVTDDIWKTBN-UHFFFAOYSA-N 348.352 5.048 0 1 EKAF COc1cccc(-c2cc([C@@H]3CC3(C)C)nc3c2oc2ccccc23)c1 587364481 BKMAIVDZLLWWPE-SFHVURJKSA-N 343.426 6.170 0 1 EKAF Cc1[nH]c2ccccc2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527735 WGTLDHZVINMCFD-HSZRJFAPSA-N 345.442 5.236 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3C(C)C)c2c1 587643713 WTINCLAXRUKDFA-HNNXBMFYSA-N 348.490 6.366 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3nccn3C)c2c1 587644067 ZPAAAKGCHCXSJX-HNNXBMFYSA-N 329.447 5.749 0 1 EKAF OCc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949841 LGQGTZPYXIYKFE-ACCUITESSA-N 342.398 5.018 0 1 EKAF Oc1ccccc1-c1cc(-c2ccoc2)cc(-c2ccccc2Cl)n1 653737660 RJOFOCAKZWYXEV-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CC[C@@H](C)c1cc(C=O)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 1857647207 PNLHUIDGMGFJOU-GFCCVEGCSA-N 340.806 5.643 0 1 EKAF O=Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356283669 WRFPRHSSFYTMNR-UHFFFAOYSA-N 332.443 5.411 0 1 EKAF CC(C)=CCCC(C)=CCCC[C@H](C)CCC=C(C)CCC=C(C)C 2356609333 WLPSHRYULRZEIF-DEOSSOPVSA-N 344.627 8.958 0 1 EKAF CCO[P@@](C)(=O)[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 1645996 QONJQAUHSKXQFB-KSFYIVLOSA-N 325.295 5.020 0 1 EKAF C/C=C\[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470819 UPXAYCYCDXAKMG-POZKEBTKSA-N 347.458 5.979 0 1 EKAF C1=C(c2ccccc2)CCN(CC[C@H]2CCC=C(c3ccccc3)C2)C1 13738841 YTKUTEYPYBMYSY-OAQYLSRUSA-N 343.514 6.050 0 1 EKAF Cc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1 13738848 FORCDIAATKJODX-OAQYLSRUSA-N 343.514 5.968 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/c2ccccc2C(=O)O)C(C)(C)CCC1 27656330 QSYOQANFSIMMJR-CELLILHISA-N 336.475 6.427 0 1 EKAF C=C(c1cc(Cl)ccc1O[C@@H](C)c1ccsc1)n1ccnc1 28765557 BKCFQJSFDAFXNM-ZDUSSCGKSA-N 330.840 5.257 0 1 EKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc(C(=O)O)ccc1O 45495066 QUYGEGSOVYMIEU-YYIZJUOFSA-N 342.479 6.052 0 1 EKAF Cc1cc(-c2nc3cc(F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879873 SXKOJAZEJAKJPB-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF CC(C)c1cc(-c2nc3ccc(Cl)nc3[nH]2)c(O)c(C(C)C)c1 586895894 BJBZNIQLXXNWAF-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF CC(C)c1cc(-c2nc3cccc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896931 UTPFAJAIHZJJKO-UHFFFAOYSA-N 328.843 5.836 0 1 EKAF c1ccc(-c2scnc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587027784 JWOPXOMBGZLAKW-UHFFFAOYSA-N 331.444 5.232 0 1 EKAF Cc1cc(Br)c(-c2nc3ccc(Cl)cc3[nH]2)cc1F 587137892 QYQYKSBCGTYHTQ-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161454 QWFQLOBTIZPJDO-UHFFFAOYSA-N 347.231 5.429 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2ccc(F)c(Cl)c12 587628648 PYIMDKZSJRZVGM-UHFFFAOYSA-N 344.600 5.948 0 1 EKAF CCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814242 SHGVBQYBBZFYFO-GTNSWQLSSA-N 342.296 5.164 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccccn2)cc1 963258610 PJTZEKMADHWPQE-HOYKHHGWSA-N 342.486 5.495 0 1 EKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@@H](C)CC(=O)O 2356597309 CMLJLKAJEBCZCF-LJQANCHMSA-N 332.484 6.166 0 1 EKAF Cc1cc2c(c3c1OCO3)[C@H](C)CC[C@@H]2[C@H](C)CC(=O)CC(C)C 15268520 OOFUNMUFIROWEI-CKEIUWERSA-N 330.468 5.346 0 1 EKAF biogenic CCOC(=O)/C(=C/Nc1ccccc1Cl)c1ccc(Cl)cc1 28714136 NMOKOCAFGUURBO-SDNWHVSQSA-N 336.218 5.010 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2/C=C\c1ccccc1 38493464 VQILFFVIWGYQHG-BPYMKQLFSA-N 337.894 5.620 0 1 EKAF C[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C 64633753 GVFFAMRIFGYUEO-FCROFNNKSA-N 344.627 7.718 0 1 EKAF in-vitro Cc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 84617136 LTNFJNSFKOZRJE-UHFFFAOYSA-N 348.755 5.498 0 1 EKAF CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)s1 95561222 ORFWCYPRZLMMCA-UHFFFAOYSA-N 345.899 5.535 0 1 EKAF Cc1csc(C2=NN[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 103213688 KNOQLVAZKMXONW-HNNXBMFYSA-N 341.867 5.005 0 1 EKAF CCCCCC[C@H](C)[C@H](CCCCCCCCCC(=O)OC)OC 238742783 JMGFGJQRZFQSDX-PMACEKPBSA-N 342.564 6.292 0 1 EKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccoc3C3CC3)nc2c1 586901606 OAYQUKREKPZZKQ-UHFFFAOYSA-N 326.705 5.373 0 1 EKAF Cc1ccc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587146809 XIEKPSWNPXKLFM-DAXSKMNVSA-N 349.178 5.082 0 1 EKAF Cc1cc(C(=O)c2coc3ccc(Cl)cc23)ccc1C(F)(F)F 587277816 DKFFLCSRNCQDLC-UHFFFAOYSA-N 338.712 5.644 0 1 EKAF O=C1C[C@@H](c2cc(F)ccc2Cl)Oc2c1ccc1c2CCCC1 587506437 SNBFJFIUCPPMII-SFHVURJKSA-N 330.786 5.064 0 1 EKAF CCC[C@H](C)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810633 DFTFVWBPTCTIBA-PRXAMGSTSA-N 342.296 5.164 0 1 EKAF CC(C)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812578 JFHRHSUSRFDYLB-SJKOYZFVSA-N 342.296 5.020 0 1 EKAF Cc1ccc(-c2ccc(-c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 587922899 JDNLPVLOZQDPBB-UHFFFAOYSA-N 345.442 6.592 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(NC(C)=O)cc3)n2)cc1 587924588 DTDMCSVNHYBDRJ-UHFFFAOYSA-N 340.473 5.157 0 1 EKAF CC(C)(CCCOc1ccc(/C=C/c2ccsc2)cc1)C(=O)O 653778440 JWBIWNRKEKVJHI-SNAWJCMRSA-N 330.449 5.188 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccco3)cc2)N1 962964904 ZBHCKGOUCLJSBG-VGOFRKELSA-N 342.442 5.442 0 1 EKAF Cc1ccc([C@]2(C)c3ccsc3CCN2Cc2cccnc2)cc1C 962994576 KYCCAZRVVRNDMX-JOCHJYFZSA-N 348.515 5.082 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1c[nH]c2cc(F)ccc12 963241865 OEIMFOUMWGGTTN-OYHNWAKOSA-N 336.454 5.227 0 1 EKAF CC(=O)O[C@@H]1CC(C)=CCCC(C)=CCCC(C)=CC=C1C(C)C 2356538001 NQBWCMIADAARIG-JOCHJYFZSA-N 330.512 6.304 0 1 EKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(Cl)nc3C)ccnc21 13487182 SZVSUKNPBOJOEA-GFCCVEGCSA-N 342.874 5.379 0 1 EKAF CCCCc1nc(N(CCC)Cc2ccccc2)c2sccc2n1 13781399 QSSGLOAUEVRSAN-UHFFFAOYSA-N 339.508 5.451 0 1 EKAF CC[C@H](c1ccc(O)c(Br)c1)[C@@H](CC)c1ccc(O)cc1 25965226 RLDATGZVIQOGNJ-JKSUJKDBSA-N 349.268 5.548 0 1 EKAF Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 35259934 VWPPMWZJHIIAFS-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF Cc1c(-c2ccccc2)n(C2CCCCC2)c2ccc(C(=O)O)cc12 36350466 NFOKXIAVRFOTIL-UHFFFAOYSA-N 333.431 5.820 0 1 EKAF COc1ccc([C@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 49625868 IFNDDKOQSXJXPR-JOCHJYFZSA-N 342.442 5.003 0 1 EKAF C[C@H](Nc1cc(-c2ccccc2C(F)(F)F)ncn1)c1ccccc1 82161124 JIDJCIPWEHCTEQ-ZDUSSCGKSA-N 343.352 5.336 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@@H]1CC[C@@H]3C1 102914906 VDRMZFYUZJCSMU-ZIAGYGMSSA-N 341.376 6.229 0 1 EKAF CC(C)=CCC/C(C)=C/COc1cccc(-c2cncn2C(C)C)c1 103177401 LLBAIMWXOIDXGG-XDHOZWIPSA-N 338.495 6.203 0 1 EKAF COc1cccc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)c1 103300967 GGDUGVLSAPTGAT-UHFFFAOYSA-N 346.217 5.203 0 1 EKAF Fc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016155 QEJGTKCXSBLNQA-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Cc1nc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cs1 587101834 NRRPJKSXVWLUAY-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF CCC[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101978 YAIAYJBGMXNMPW-OAHLLOKOSA-N 341.454 5.975 0 1 EKAF Clc1ccc(/C=C/c2cc3c4c(cccc4n2)CC3)cc1Cl 587209566 RLEYWICZVJKMLQ-XBXARRHUSA-N 326.226 5.811 0 1 EKAF Cc1cc(C)cc(O[C@@H](C)C(=O)c2coc3ccc(Cl)cc23)c1 587276190 MWPUVBRGLGSZMI-ZDUSSCGKSA-N 328.795 5.353 0 1 EKAF CCC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632026 AXEUQKFNYZJGDY-UHFFFAOYSA-N 346.199 5.329 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2F)(C2CC2)N1 962961235 TYIOQGFMVYBLCT-GAJHUEQPSA-N 348.465 5.079 0 1 EKAF CC(C)(C)[C@]1(c2cccs2)NCCc2c(Cl)cc(Cl)cc21 963126281 WLXILJZQZTWPKC-KRWDZBQOSA-N 340.319 5.490 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCc1ccc(Cl)cc1C2 963225597 FLTIZOXLBJSDGO-ZHRRBRCNSA-N 339.910 5.381 0 1 EKAF FC(F)(F)c1cccc([C@H]2NCCc3cccc(Cl)c32)c1Cl 963377635 CNXLANSDMAGZJT-OAHLLOKOSA-N 346.179 5.247 0 1 EKAF CCCN(CCC)[C@@H]1CCc2c(cccc2-c2ccccc2Cl)C1 1911586782 QSQZCAQYYCNBSR-GOSISDBHSA-N 341.926 5.986 0 1 EKAF CC=C1[C@@H]2[C@H](CC[C@@H]1[C@@]1(C)CCCC(C)(C)C1)CO[C@H]2OC(C)=O 2356802575 SKLIPPOIEUJEDF-KQGMHSTHSA-N 334.500 5.101 0 1 EKAF Clc1ccccc1-c1[nH]c(-c2ccccc2)cc1-c1ccncc1 22123 HOQZGEIRBTVRNK-UHFFFAOYSA-N 330.818 6.064 0 1 EKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)C1CCCCC1 13704458 FRLBGBATCUICEF-UHFFFAOYSA-N 345.446 5.058 0 1 EKAF Cc1cccc(CSc2nc(Cl)cc(Cc3ccccc3)n2)c1 49050482 RAAUQMJZSYTMRI-UHFFFAOYSA-N 340.879 5.322 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@@H]1C2 101321615 QUFRNANIXKUCID-MMJBTAKVSA-N 348.527 5.347 0 1 EKAF CC1(C)CC(=O)[C@@H]2C(=NC(c3ccccc3)=C[C@H]2c2ccc(F)cc2)C1 169723764 QVUFWKQZYQGGPB-AVRDEDQJSA-N 347.433 5.410 0 1 EKAF CC(C)N1C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)no3)cc21 299857585 NTLPLWJWQIKKQC-UHFFFAOYSA-N 338.794 5.031 0 1 EKAF C=Cc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 586881184 LFLCLMYKLIBWBK-UHFFFAOYSA-N 338.716 5.425 0 1 EKAF CC(C)c1cc(-c2nc3cc(Cl)cnc3[nH]2)c(O)c(C(C)C)c1 586895872 ANLVRZAZWFINIC-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF C[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107874 WZLCIHLYHDKIEN-MRXNPFEDSA-N 349.433 5.792 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587157527 AWXRXEJRYLDOPO-UHFFFAOYSA-N 348.352 5.296 0 1 EKAF COc1ccc2cc(/C=C/c3cc4c5c(cccc5n3)CC4)ccc2c1 587213409 IIFLOXDFNSDSIU-IZZDOVSWSA-N 337.422 5.666 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC13CCCCC3)CC2=O 587482570 OSONFIRADVXVME-QFIPXVFZSA-N 342.479 5.573 0 1 EKAF Cc1ccc2c(c1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524698 MICXXHRVEIEWQS-QHCPKHFHSA-N 332.443 5.071 0 1 EKAF Cc1cc(C)c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c2c1 587527743 WNLMEDWPDAHZBT-QFIPXVFZSA-N 345.442 5.370 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCCC2)N1 587820050 OIEKEYSDUBHUFI-IAQYHMDHSA-N 340.280 5.134 0 1 EKAF CC(=O)Nc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920494 MIRREWPZBZWXDV-UHFFFAOYSA-N 328.824 5.089 0 1 EKAF Cc1ccc2c(ccc3nc(Cc4ccccc4-c4ccccc4)[nH]c32)n1 587960225 YXXMOYNGFSIXMB-UHFFFAOYSA-N 349.437 5.677 0 1 EKAF C/C(=C\c1nc2cc(Br)cc(F)c2[nH]1)C1CCCCC1 587967577 LFQFRJXXBSNPPV-JXMROGBWSA-N 337.236 5.448 0 1 EKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2ccc3ccccc3c21 1772652559 WVTLXWYTYRBLHG-HSZRJFAPSA-N 349.449 5.095 0 1 EKAF CCCC=CC=CCCCCCCCCc1cc(OC)cc(=O)o1 2356394490 AYFKHCDPLUIRAR-UHFFFAOYSA-N 332.484 5.834 0 1 EKAF Clc1cccc(-c2nc3ccccn3c2NC2CCCCC2)c1 319845 TVZFXZIFWYRWOP-UHFFFAOYSA-N 325.843 5.399 0 1 EKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](C)CC 13479587 DOFRGGCTTZMZEU-LLVKDONJSA-N 348.277 5.939 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)C(=O)O 13540450 CQJGVSCAFSXDSB-KZNAEPCWSA-N 326.521 5.715 0 1 EKAF in-vitro CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(=O)c3ccccc3)cc1OC2(C)C 13553599 YVXCIUSPFGDUJB-QZTJIDSGSA-N 348.442 5.234 0 1 EKAF Cc1cc(O)ccc1-c1nn(C(C)C)c2c(C(F)(F)F)cccc12 13586345 KHSAABIGSPXJBL-UHFFFAOYSA-N 334.341 5.317 0 1 EKAF Clc1ccc([C@H](Cc2ccccc2)Cn2ccnc2)c(Cl)c1 33493889 XAGGETAZARUMKO-OAHLLOKOSA-N 331.246 5.216 0 1 EKAF CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 40379022 NKIBKNOODDQPIA-CYBMUJFWSA-N 333.262 5.216 0 1 EKAF CCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21 96938357 NTCPKTSBLCDRJZ-UHFFFAOYSA-N 334.507 5.971 0 1 EKAF CCCCn1c(-c2c(O)ccc3ccccc23)nc2ccc(OC)cc21 103179248 ZCXVPJBGLYXGMX-UHFFFAOYSA-N 346.430 5.371 0 1 EKAF CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)C=C(c2ccccc2)N1 169348089 BQEPENVGAYBSNO-LJQANCHMSA-N 347.458 5.032 0 1 EKAF CC(C)=CCC/C(C)=C\CNC(=O)Oc1ccc(C(C)(C)C)cc1 299823729 TYRMKVOQKALZJB-VKAVYKQESA-N 329.484 5.765 0 1 EKAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587052481 CACDLYGHKDYONQ-UHFFFAOYSA-N 347.849 5.553 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(C)c2[nH]1 587073835 MBSIKVIBIHQQBG-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF CCCCc1oc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587413186 QMAPONCJKSIKAR-HXUWFJFHSA-N 349.430 5.373 0 1 EKAF CC[C@H](C)C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587813927 QQTKKNYZFORYKE-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF COc1cccc(C2(c3nc4ccc(Cl)cc4[nH]3)CCCC2)c1 587931952 RMHFWYZMFWMDNA-UHFFFAOYSA-N 326.827 5.085 0 1 EKAF C=C(c1ccc2[nH]c3ccccc3c2c1)c1cc(C)nc2ccccc12 1857566093 DDVGTZNMIQMXDU-UHFFFAOYSA-N 334.422 6.239 0 1 EKAF Oc1ccc2cc(Br)ccc2c1-c1c[nH]c2ccccc12 1857650014 KDZHRPHYQFUEQJ-UHFFFAOYSA-N 338.204 5.456 0 1 EKAF CCc1cccc(-c2nn3c(c2-c2ccc(O)cc2)[C@H](C)C(C)(C)C3)n1 1857656005 HKUQMBLFKKCCHK-AWEZNQCLSA-N 347.462 5.023 0 1 EKAF COC(=O)C[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356713699 PHXLGDRTLPKSHN-IOTXWIHASA-N 344.495 5.341 0 1 EKAF CCn1c(-c2ccccc2)c(C2=CC[C@@H](C(=O)O)CC2)c2ccccc21 29395363 NUVRAOKMASVDRS-GOSISDBHSA-N 345.442 5.596 0 1 EKAF O=C(Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C1CCCC1 40900251 STQLRGZNKIMZHF-UHFFFAOYSA-N 342.438 6.116 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2 100897373 UJEVDHRYUSUDHU-FGZHOGPDSA-N 335.491 5.056 0 1 EKAF CC/C=C\C/C=C\C/C=C/C/C=C\Cc1ccc(CC(=O)OC)o1 169371000 ZSZBMNAZPKOCHY-SWVOBEGWSA-N 328.452 5.343 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586878763 KXVXYICRWSHXBB-UHFFFAOYSA-N 340.470 6.503 0 1 EKAF O=C1CCC[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 586887531 UTJNRPWDYXJUNR-CQSZACIVSA-N 336.460 5.331 0 1 EKAF COc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1Cl 586963947 RWTYPUFQMQQWBD-UHFFFAOYSA-N 332.856 5.134 0 1 EKAF Cc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Cl 587068311 PXHXUYGTYANBFY-UHFFFAOYSA-N 343.217 5.235 0 1 EKAF Clc1ccc2ccc(-c3nc4c(Cl)cccc4[nH]3)nc2c1Cl 587083477 WJHPSPCORHTFEI-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C=CC(C)(C)C4)-c1ccccc1C2=O 587100641 NDSHJSKFLSJXEU-UHFFFAOYSA-N 325.411 5.350 0 1 EKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1 587161123 KGIWEOKNKOLDLO-STQMWFEESA-N 345.215 5.044 0 1 EKAF COc1ccc2cc(-c3nc4cccc5c4c(c3C)CC5)ccc2c1 587214881 WPPHNGRGHOBNQG-UHFFFAOYSA-N 325.411 5.471 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3s1)CC2=O 587494018 HFXQDGOVNWFDGS-QGZVFWFLSA-N 338.428 5.266 0 1 EKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587629902 NBAFNGONDJZMRL-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587630326 YUCSYUHTSMBHGV-UHFFFAOYSA-N 341.735 6.209 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)cc(F)c2[nH]1 587951760 PLVZNVCJSHSYKY-NSHDSACASA-N 340.785 5.649 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc(C(C)(C)C)c2)N1 962942685 GADHYEJCKFTITK-IERDGZPVSA-N 348.490 5.185 0 1 EKAF COc1ccc(-c2ncccc2-c2nc3ccc(OC)cc3s2)cc1 1857586322 CXKMWYKBIHCHGH-UHFFFAOYSA-N 348.427 5.043 0 1 EKAF S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1CC1CC1 1857755540 BJCCOXOEBNDHTO-KRWDZBQOSA-N 340.879 5.099 0 1 EKAF COCC=C(C)CCC=C(CCC=C(C)CCC=C(C)C)C(=O)O 2356446722 PSFGNZBYXOCWDG-UHFFFAOYSA-N 334.500 5.843 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356683541 YWHGASVUJAMQSY-IFMALSPDSA-N 332.528 6.219 0 1 EKAF CCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 13437759 XPINZAYSUKBJNK-HNNXBMFYSA-N 343.486 6.140 0 1 EKAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C[C@@H]4Nc5ccccc5[C@@H]4[C@]3(C)CC[C@@H]12 53227574 HVKUYPXKTAMIFI-SZKCUPFNSA-N 339.523 5.188 0 1 EKAF Cc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1C 587011592 LOAIZTUPQMTYCN-UHFFFAOYSA-N 333.460 5.202 0 1 EKAF Cc1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015959 LFMCBDCTKACAEQ-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Clc1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587051588 YXQPRXVYLQRTDS-UHFFFAOYSA-N 328.202 5.327 0 1 EKAF Cc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1C 587077104 QVVICMYIRPMDCQ-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF FC(F)(Cl)c1nc2cccc3c2c(c1Cc1ccccc1)CC3 587210050 CCDFPLCRKPRJRM-UHFFFAOYSA-N 329.777 5.212 0 1 EKAF O=C(Cc1c(-c2ccccc2)nc2cccc3c2c1CC3)c1ccccc1 587214012 NACQOJLRJYHDDB-UHFFFAOYSA-N 349.433 5.426 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)OC)c2c1 587642451 NUZZZVMCJJGXQB-LBPRGKRZSA-N 325.383 5.274 0 1 EKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC1CCCC1 587865735 HESCEBAZNCJYPN-UHFFFAOYSA-N 338.373 5.158 0 1 EKAF C/C(=C/c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C1CCCCC1 587968588 SFSPDKVNBFJCBV-KAMYIIQDSA-N 346.478 5.378 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2-c2ccco2)N1 962946790 JIPACQSPRKNSGV-NYHFZMIOSA-N 342.442 5.442 0 1 EKAF COc1ccc(-c2cc3ccccc3c(-c3ccc(O)cc3)n2)cc1 1857766535 ISJIOOZJSYNPTA-UHFFFAOYSA-N 327.383 5.283 0 1 EKAF CC1=CCCC(C)=C[C@H](O)c2cc(O)c(cc2O)CC(C)=CCC1 2356673349 HVZGTYJQAXSGCR-FQEVSTJZSA-N 328.452 5.087 0 1 EKAF CCCCCC[C@H]1CC[C@H](OCCCCCC[n+]2ccccc2)O1 29315769 PLOBJHMUEHCYHY-LEWJYISDSA-N 334.524 5.027 0 1 EKAF Clc1ccc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl 40393269 OGRMLWZQTQLAAX-UHFFFAOYSA-N 347.032 5.920 0 1 EKAF CCCc1c(C(=O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 45373122 IBAJJNKWGBUOFY-UHFFFAOYSA-N 346.382 5.031 0 1 EKAF CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 72141868 DJSUQGWXSNZBAV-UHFFFAOYSA-N 330.840 5.355 0 1 EKAF C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@@H]1C 73387999 XVWDFPZSRGALNR-ILRDRHFLSA-N 344.499 5.152 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)cc1 82149420 MRCMJZTZWNHYBN-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF Cn1ncc2c(-c3ccc4oc(NC5CCCCC5)nc4c3)cccc21 140444192 WSWJJFXKNTYIPJ-UHFFFAOYSA-N 346.434 5.126 0 1 EKAF CCC(=O)C(CCCCCCCCCc1ccc(O)cc1)C(=O)CC 169342193 BAENLCZSSVDNCL-UHFFFAOYSA-N 346.511 5.630 0 1 EKAF Cc1cc(=O)oc2c1ccc1oc([C@@H](N=O)c3ccccc3)c(C)c12 169688027 JBAGCUUTLOWNBK-SFHVURJKSA-N 333.343 5.012 0 1 EKAF C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@]1(C)Cc1c[nH]c2ccccc12 257464442 KKNODFPXRCYCJH-VFKPAMGUSA-N 337.507 5.480 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(C)c(F)cc4[nH]3)cs2)cc1 587015995 MQNSISWWIBLZDE-UHFFFAOYSA-N 337.423 5.363 0 1 EKAF Oc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 587055152 SYQAJOLZRPRSAF-UHFFFAOYSA-N 347.123 5.261 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@@H]4C)-c1ccccc1C2=O 587100916 QAHNSAATEHCYNN-AWEZNQCLSA-N 347.417 5.887 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142891 PQNIPXUGZMHJHH-UHFFFAOYSA-N 347.231 5.429 0 1 EKAF Cc1ccc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207761 UUAIAMHLKNQTPA-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF O=C(c1cccc(Br)c1)c1coc2ccc(Cl)cc12 587276236 ODAMYIBWPCCNPD-UHFFFAOYSA-N 335.584 5.080 0 1 EKAF O=C1C[C@@H](c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587506828 PRNXHYYEBQWWIZ-KRWDZBQOSA-N 330.786 5.064 0 1 EKAF O=C1C[C@]2(CCCC[C@@H]2c2ccccn2)Oc2c1ccc1c2CCCC1 587513696 DZVCRULCQQGSLZ-XXBNENTESA-N 347.458 5.022 0 1 EKAF Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629898 MUYNRCXKQPTTTQ-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 587931480 JFQUMUOGYVIHFN-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF CC/C(=C\c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(C)cc1 587968643 VYODXNMIOXXYHW-DHZHZOJOSA-N 332.234 5.524 0 1 EKAF C[C@H]1CCCC(C)(C)[C@]12c1ccsc1CCN2Cc1cccn1C 962369343 CXYRNNHHSDQIBL-HRAATJIYSA-N 342.552 5.186 0 1 EKAF CCCN1[C@@H](c2ccc(C(F)(F)F)c(C)c2)c2ccccc2C[C@H]1C 963230225 PCEDSTLCFZDRQZ-QRWLVFNGSA-N 347.424 5.760 0 1 EKAF CC12CC34CN(C(=O)C5CCCCC5)CC35CC1(C)C(C)(C5)C2(C)C4 1857634780 AREUKENAEMMOHR-UHFFFAOYSA-N 341.539 5.022 0 1 EKAF CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 5821115 GRLARWXSTOXAGR-QZTJIDSGSA-N 328.496 6.039 0 1 EKAF CCC[C@@H](C)CCCCCCCCCCCCOC[C@H](O)CO 15261823 PHKJZBSOHSECGN-WOJBJXKFSA-N 330.553 5.084 0 1 EKAF biogenic O=C1Nc2cc(-c3ccccc3)ccc2/C1=C/c1cc2c([nH]1)CCCC2 33836685 BCEALSZPAPLOJG-ZHZULCJRSA-N 340.426 5.053 0 1 EKAF CN(c1cc(Oc2ccc3ccccc3c2)ncn1)C1CCCCC1 82067792 RMKPMMKIELTVOV-UHFFFAOYSA-N 333.435 5.191 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020919 CWCHWSGXOWVAEH-UHFFFAOYSA-N 339.851 5.239 0 1 EKAF Clc1cnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083445 UTILZVHAGDZAGH-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083860 PABQYEZIRQWJQA-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cc(Cl)cnc3[nH]2)cc1F 587145160 KEQDEEBINOZCMN-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CCc1c(Cc2ccco2)nc2cccc3c2c1-c1ccccc1C3=O 587207322 RLTUBQRORPEKKK-UHFFFAOYSA-N 339.394 5.192 0 1 EKAF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630370 ZNEHJHLPRZKXFY-UHFFFAOYSA-N 347.720 5.272 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)cnc3Cl)c2c1 587640685 IKPFVLMVGCDDIA-JTQLQIEISA-N 333.262 6.359 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587642000 LHVGGPXEDCADGX-LLVKDONJSA-N 345.364 5.989 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587934317 JFXICOHGVXXQEP-UHFFFAOYSA-N 346.474 5.441 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587950296 AWAIOJQACFVPKS-FOGDFJRCSA-N 342.270 5.311 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(F)cc(Cl)cc1F 963231362 QPAKHZZXDKHKOU-BUXKBTBVSA-N 335.825 5.364 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)c(C)cc2O1 2356737020 LLFVJAKJZFZQAC-JOCHJYFZSA-N 328.496 6.257 0 1 EKAF c1ccc([C@H]2[C@@H]3CCCc4ccccc4C3=NN2c2ccccc2)cc1 5843805 CNSHCLQFYNQATF-VWNXMTODSA-N 338.454 5.605 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)CC2 13463014 ABVFMWBMLLVZDP-LHSJRXKWSA-N 346.467 5.157 0 1 EKAF biogenic O=C1c2ccccc2CCC[C@@H]1CC1CCN(Cc2ccccc2)CC1 13744600 SKJAMKPPTBWOCF-JOCHJYFZSA-N 347.502 5.124 0 1 EKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13829884 HBMXHMNJNJKXGF-VXKWHMMOSA-N 344.454 5.968 0 1 EKAF O=C(C/C=C/c1ccccc1)Nc1cc(-c2ccccc2)ccc1O 29127584 WFKLWFUAWPVHBM-JXMROGBWSA-N 329.399 5.101 0 1 EKAF Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1Cl 66101668 ILLRLZACVRCESL-UHFFFAOYSA-N 345.833 5.563 0 1 EKAF CCOc1ccc(-c2nc(CN(CC)c3ccccc3C)co2)cc1 72180821 BRXPETIKWIXHSG-UHFFFAOYSA-N 336.435 5.075 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(F)cc3S[C@H]12 169715404 DFPCMGXOXSQNCF-VOJFVSQTSA-N 345.826 5.173 0 1 EKAF Cc1cc2c3ccc4c5c3n(c2cc1O)C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]51)O4 238771417 VGSGRIAAAVWVHZ-PXAQALGRSA-N 347.458 5.592 0 1 EKAF CCCCC1CCC(c2nc3cc(Br)c(C)cc3[nH]2)CC1 308433347 HRTNBEHSBXNXKJ-UHFFFAOYSA-N 349.316 6.098 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C)cc4[nH]3)c2)c1 587160397 QPSQUQPXXXYULX-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF CSc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533247 VNLNCAXJPUEKEQ-HNNXBMFYSA-N 330.474 5.055 0 1 EKAF CCCN1CC[C@H]2CC3=Nc4ccccc4[C@]3(CC)[C@H]3CCC[C@@H]1[C@H]23 1772635974 WTEKHESUHJTGHN-VBEIARHESA-N 336.523 5.341 0 1 EKAF CCOC(=O)C[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356349949 RDNOHEMCCBNRKQ-QHAWAJNXSA-N 340.592 7.015 0 1 EKAF C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 73313078 SKMFQTAOSOOOIV-HNAYVOBHSA-N 344.499 5.296 0 3 EKAF C/C(=C\c1cccc(C(=O)O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C 26580306 FWELAWCPFZMRQA-DTQAZKPQSA-N 348.486 6.294 0 1 EKAF O=C(O)CCCCCCc1ccc(CCCCc2ccccc2)s1 26942734 ZTNUWAXJRXYZNM-UHFFFAOYSA-N 344.520 5.891 0 1 EKAF Cc1ccccc1Cc1ccc(Nc2ccc(F)cc2N)cc1Cl 27634863 VXFCAQKZFNIUOJ-UHFFFAOYSA-N 340.829 5.704 0 1 EKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043577 ZAINQQRFGATLID-CYBMUJFWSA-N 338.882 6.494 0 1 EKAF Oc1cc(Cl)c(Cl)cc1-n1cc(Cl)c(Cl)c1Cl 43019569 RGDAAAZWUJXHMU-UHFFFAOYSA-N 331.413 5.450 0 1 EKAF biogenic CC(C)N(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1 72101661 TUXLWINNCOGLTR-UHFFFAOYSA-N 326.827 5.410 0 1 EKAF CSc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(Cl)cc2)cc1 95562493 VAXDWOGHSOVRRQ-UHFFFAOYSA-N 332.881 5.782 0 1 EKAF c1ccc(CNc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101044177 SVFZJACZPSFUOW-UHFFFAOYSA-N 342.446 5.332 0 1 EKAF Oc1c2c(nn1-c1ccc(Cl)c(Cl)c1)-c1ccccc1SC2 101340370 FATHARPMUZDBRB-UHFFFAOYSA-N 349.242 5.157 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(F)c2)[C@@H](c2ccc(O)cc2)C1 299833741 WGGHGNNQHQYAOE-QGZVFWFLSA-N 330.378 5.024 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccco1)-c1ccccc1C3=O 587100676 DZOLKZBYEONJOC-UHFFFAOYSA-N 339.394 5.247 0 1 EKAF Fc1cc(Cc2nc3c(Cl)ccnc3[nH]2)ccc1-c1ccccc1 587145220 ITACMWNOXQZBHC-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF CCC(CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349944 CYEASWXMRDXTII-FPOVZHCZSA-N 342.410 5.085 0 1 EKAF Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587506808 PHRZPCDBNOIAFH-GOSISDBHSA-N 326.823 5.234 0 1 EKAF Cc1c(F)ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c12 587508515 YZGXYDUHJVFSGB-HXUWFJFHSA-N 349.405 5.201 0 1 EKAF Cc1ccc(NCCc2nc(-c3ccc(F)c(F)c3)cs2)cc1 587921912 BHBIPNQKMYWGLX-UHFFFAOYSA-N 330.403 5.051 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1 587966350 CROQOWXECMUCND-JXAWBTAJSA-N 346.474 6.292 0 1 EKAF CC[C@@H](CC=CCCC(=O)O)CCCCCC[C@@H]1C=C(CO)CC1 2356737384 OQUAFGNAFAEBEL-MOPGFXCFSA-N 336.516 5.493 0 1 EKAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356745958 HACHLIKPIMANLR-JRJZTWPHSA-N 345.571 5.165 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 6671447 JXXDIXXGOMSDQT-UHFFFAOYSA-N 339.460 5.501 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 16958649 ANAMDWGJXBYJEB-SHKDNAECSA-N 326.480 5.032 0 1 EKAF in-vivo CC(C)(C)c1ccc(C(=O)Nc2cn3c(ccc4ccccc43)n2)cc1 43193841 ZOMDXNFIJCQEMM-UHFFFAOYSA-N 343.430 5.037 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(CCCC)cc2)n1 72103688 VDAWBGQGULWBCU-QGZVFWFLSA-N 328.500 5.743 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@@H](C)CCc3ccccc3)ncn2)cc1 82161890 BPQXTFQLXNAKEU-SFHVURJKSA-N 345.490 5.700 0 1 EKAF CCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S 95601901 MPEQKBBWZUVTKO-UHFFFAOYSA-N 342.464 5.958 0 1 EKAF CCCCC[C@@H](C)CCCCCCCCCCCC[C@@H](O)CO 102186325 CWVKRPMEOLUEOW-NHCUHLMSSA-N 328.581 6.237 0 1 EKAF CC(C)=CCc1cc(-c2cc(O)c3c(c2)C=CC(C)(C)O3)ccc1O 147964901 XYMYNTXSCZZMEL-UHFFFAOYSA-N 336.431 5.458 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@H](C(C)(C)O)[C@H]2C1 257560948 VAFPWCIGDGFJNB-DGGJZMOXSA-N 349.474 5.435 0 1 EKAF endogenous,in-man COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=S)cc1OC 299836862 NWLYBLWQEYTCID-UHFFFAOYSA-N 346.835 5.808 0 1 EKAF Cc1cc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c(C)n1 587047659 ACBIBNGWPZOMFE-GHMZBOCLSA-N 332.234 5.153 0 1 EKAF Cc1cc(C)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587051044 RMIKQHDMESNBSE-NEPJUHHUSA-N 331.246 5.758 0 1 EKAF CCCc1c(-c2ccc(Cl)cc2Cl)nc2cccc3c2c1CC3 587208744 ADKNTCKYXPZMCQ-UHFFFAOYSA-N 342.269 6.260 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)ccc1Cl)O2 587377723 XVPUIBBAFUCRSN-GOSISDBHSA-N 343.854 5.235 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(C)c1)CC2=O 587458691 DYBHCBSPCAEKID-GOSISDBHSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(ccn3CC)c1)CC2=O 587476904 SDPONVLIQZGDIP-NRFANRHFSA-N 349.430 5.026 0 1 EKAF O=C1C[C@@]2(CCC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587524785 NBDZQKKOUCUNIG-CYFREDJKSA-N 346.470 5.627 0 1 EKAF CC1(C)CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525426 PQMJHKKHPNHHJI-XMMPIXPASA-N 346.470 5.399 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C)c2c1 587639150 OAGXICRQXYMPAY-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF CCSc1cccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962664009 HWDDLRIEAVGOLD-QHCPKHFHSA-N 345.511 5.701 0 1 EKAF CCCCCC=CCC=CCCCC=CC=CC(=O)N1CCCCC1 2356349240 ZIEPIRVCAKINMK-UHFFFAOYSA-N 343.555 6.364 0 1 EKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1cccs1 61968958 DXAYFUZIXCXGST-UHFFFAOYSA-N 345.423 5.320 0 3 EKAF COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnc(C)o1 13490412 XKENCHKSGWGOTP-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF CN1CCCC[C@H]1CC1(c2ccc(Cl)cc2)SCCCS1 13554193 GGEQMDOEYKWWPL-INIZCTEOSA-N 341.973 5.237 0 1 EKAF CC1=N/C(=C\c2[nH]c(-c3ccc(C)[nH]3)cc2OCc2ccccc2)C=C1 26575471 SXDMIOPDNBGRPZ-PDGQHHTCSA-N 343.430 5.269 0 1 EKAF C[C@@H](Cc1ccc(O)cc1)NC[C@H](c1ccccc1)C1CCCCC1 27766786 NBTFATDMJLDJTE-FDDCHVKYSA-N 337.507 5.277 0 1 EKAF COc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1 40953149 GOGQHVZGANJJDF-UHFFFAOYSA-N 325.411 5.501 0 1 EKAF in-vivo Cc1[nH]c(C)c(-c2ccc(-c3ccc(Cl)cc3)nc2)c(=O)c1Cl 45334467 PHTJVNUZJAULPR-UHFFFAOYSA-N 345.229 5.028 0 1 EKAF CC1(C)C[C@@](CCNc2ccc(F)cc2)(c2ccccc2)CCO1 72109049 RDNZMRILSDPVSL-NRFANRHFSA-N 327.443 5.155 0 1 EKAF CC(C)c1ccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 82160200 TTXAKUCOCYAXKP-UHFFFAOYSA-N 339.389 5.157 0 1 EKAF CCCC(=O)OCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 139483498 AWZODBRCMWCKSF-UHFFFAOYSA-N 346.430 5.124 0 1 EKAF C/C(=C\CCc1cocc1Cc1ccoc1)CCC[C@@H](C)CC(=O)O 238744834 AUGJJCZFGQHVPY-UMNNMYMZSA-N 344.451 5.623 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccccc1Cl 299845072 IVFPOLVYGMGRKB-XCJLJZCSSA-N 338.834 5.040 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1ccc(C)c(Cl)c1 473248548 OOPFCYMHQZWAEZ-UHFFFAOYSA-N 342.870 5.420 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586883622 MBURHDNFPSJJEB-UHFFFAOYSA-N 344.311 5.849 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587160823 HCJNQCDCDOCDEM-MNOVXSKESA-N 338.279 5.131 0 1 EKAF COc1ccc2cc([C@H](C)C(=O)c3coc4ccccc34)ccc2c1 587281036 QKHIQALQNMQSNO-AWEZNQCLSA-N 330.383 5.581 0 1 EKAF O=C1C[C@H](c2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587506830 PRNXHYYEBQWWIZ-QGZVFWFLSA-N 330.786 5.064 0 1 EKAF CCCOc1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587567373 HCTCKQYSRNDBIR-UHFFFAOYSA-N 335.234 5.249 0 1 EKAF Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587629064 YTCHXBTWDSBRTE-UHFFFAOYSA-N 330.573 5.640 0 1 EKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629784 HNIHSQOGNSGZAC-UHFFFAOYSA-N 343.707 5.834 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCCCC2)N1 587820544 PWOUESPFFKPGHS-NHYWBVRUSA-N 340.280 5.134 0 1 EKAF CSc1ccc(-c2csc(-c3ccnc4ccccc34)n2)cc1 587924602 FHABLIAIXOPZQQ-UHFFFAOYSA-N 334.469 5.747 0 1 EKAF COc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1C 587958422 BGAORJQUOSRUBA-UHFFFAOYSA-N 328.415 5.138 0 1 EKAF Cc1ccc(C)c(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587959759 UXTLJFVNVDVHDJ-UHFFFAOYSA-N 342.442 5.350 0 1 EKAF CCCC(=O)c1cnc2c(O)cccc2c1Nc1ccc(F)cc1C 13742218 ARBVAULDIGZRJN-UHFFFAOYSA-N 338.382 5.114 0 1 EKAF CCCC(=O)c1cnc2c(N)cccc2c1Nc1c(C)cccc1C 13742246 CMEWHSPKEVTVRY-UHFFFAOYSA-N 333.435 5.160 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1S[C@H]1CCCC(=O)OC 27858898 UVBQAJZBOBYZGD-SXZQJPGFSA-N 348.552 6.009 0 1 EKAF Oc1ccc(C(=C2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c2ccc(O)cc2)cc1 29348399 MMDMIFJZBQXIPJ-UMSONDCASA-N 332.443 5.356 0 1 EKAF C/C(=C\[C@@H](O)C/C(C)=C/CCc1ccoc1)CCCc1ccoc1 34226693 YBQMKOGJNNSQNZ-IJNRUUFYSA-N 328.452 5.472 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C 38821086 DEKPALIRJFSIQW-CCKVKUIZSA-N 332.528 6.075 0 1 EKAF CCc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O 43011985 FXLKAGSPCQYANT-UHFFFAOYSA-N 342.398 5.158 0 1 EKAF c1ccc(-c2nc(Nc3ccncc3)sc2-c2ccccc2)cc1 45337839 ZNUVMRNSOQJLAC-UHFFFAOYSA-N 329.428 5.616 0 1 EKAF CCN(CC)c1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1 52753760 LFPZHPXCTUUVQK-UHFFFAOYSA-N 345.450 5.009 0 1 EKAF CC(C)Oc1cc(-c2ccc(N3CCCC3)cc2)nc2ccccc12 73280495 WCCSQOLHONVFPL-UHFFFAOYSA-N 332.447 5.289 0 1 EKAF CCCCc1cn([C@H](C)c2ccc3sc4ccccc4c3c2)nn1 84670965 HZKIOIBQLKTKEM-CQSZACIVSA-N 335.476 5.598 0 1 EKAF Clc1ccccc1[C@@H](Nc1ccccc1)c1c[nH]c2ccccc12 84689156 QACDMNBMSITDOR-OAQYLSRUSA-N 332.834 6.023 0 1 EKAF O=C1c2ccc(Nc3ccccc3Cl)cc2CCc2ccc(O)cc21 95572551 SKBZKALYPRRXIL-UHFFFAOYSA-N 349.817 5.119 0 1 EKAF COc1ccc2c(c1)sc1c(Nc3cccc(Cl)c3)ncnc12 95598437 ORRWUTSKBYOVFU-UHFFFAOYSA-N 341.823 5.250 0 1 EKAF CSc1cccc(N(C)c2nc(-c3cccc(Cl)c3)cs2)c1 473086040 GNDNWBFHFBRPPS-UHFFFAOYSA-N 346.908 5.953 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)cc(F)c3[nH]2)cc1 586899111 TYUUZIFDESXSJN-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 587068445 AMGFBDWFAHJPMZ-UHFFFAOYSA-N 328.746 5.495 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(F)cccc1C3 587104328 QIIOHDREJOQAGX-UHFFFAOYSA-N 337.353 5.157 0 1 EKAF Fc1ccccc1CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587150431 POXZEKDCIVZPML-UHFFFAOYSA-N 342.723 5.159 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](CCC)c1ccccc1)CC2=O 587479435 DIQNPCHALMHMDM-KKSFZXQISA-N 338.447 5.262 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(C1C[C@@H](C)C[C@H](C)C1)CC2=O 587487711 GTQDQRCPSMIIKV-RXSFTSLZSA-N 330.468 5.141 0 1 EKAF CC(C)[C@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587528234 ZHYFBWNCEOBEKK-KSFYIVLOSA-N 326.480 5.506 0 1 EKAF O=C1C[C@@]2(CCCC[C@H]2c2ccoc2)Oc2c1ccc1c2CCCC1 587531871 IKNRXTCQVXHZMO-SIKLNZKXSA-N 336.431 5.220 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cccs3)c2c1 587641403 IOALKMJQYLQOON-SNVBAGLBSA-N 333.403 5.912 0 1 EKAF COC(=O)C[C@]1(C)C[C@@H]2C3=C(CC[C@H](C)[C@]2(C)O1)C(C)(C)CCC3 2356406057 LWWWPWARMZZQBS-ITNCUTESSA-N 334.500 5.040 0 1 EKAF CC(=O)O[C@]12CC=C3C=C(C(C)C)CC[C@@H]3[C@@]1(C)CCCC2(C)C 2356410755 QXGOVOYQEWWNSG-NNWRFLSQSA-N 330.512 5.827 0 1 EKAF CCC=CCC=C[C@@H](O)C=CCC=CCC=CCCCC(=O)OCC 2356744419 FRYOLNYYHOUSQS-OAQYLSRUSA-N 346.511 5.442 0 1 EKAF CCCCc1cc(OC)c2c(C)c(C)c(C)c(C)c2c1OC(C)=O 5831883 VYJSNOULURKQGT-UHFFFAOYSA-N 328.452 5.350 0 1 EKAF COC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br 28878237 JIVAGFYNBMWSPF-JIOWYSGBSA-N 329.278 5.157 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC1=N[C@H](C)CO1 38146505 NTSZZAITFRHGOZ-VUXFYNJCSA-N 343.555 6.949 0 1 EKAF Fc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 66077992 URZCSUULZFFKAM-UHFFFAOYSA-N 339.373 5.356 0 1 EKAF C=Cc1nc2ccc(O)c3c2c(c1CCCC)-c1ccccc1C3=O 586992708 YEXGXWIEGKKOCU-UHFFFAOYSA-N 329.399 5.137 0 1 EKAF CCc1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 587012917 VDRHQQCOQRWJFX-UHFFFAOYSA-N 333.460 5.148 0 1 EKAF Clc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c(Cl)n1 587026372 UNAAXVZBICVXQC-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048472 HTEHFSSBSJUZBX-VHSXEESVSA-N 335.209 5.588 0 1 EKAF Cc1ccc(Cc2nc3cc(Cl)cc(C)c3[nH]2)cc1C(F)(F)F 587095428 YNKYKTCHPIXBQS-UHFFFAOYSA-N 338.760 5.443 0 1 EKAF Cc1nccc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587126579 ZOYVNPHAUNWWND-DAXSKMNVSA-N 335.354 5.049 0 1 EKAF Cc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587149215 IGXDLXCKYZFBMX-FQEVSTJZSA-N 349.384 5.351 0 1 EKAF CCCCc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587493043 FQZDKSVVWMOHET-SFHVURJKSA-N 344.476 5.455 0 1 EKAF Cc1cc2[nH]c(C(=O)CC(C)(C)C)c(-c3ccccc3)c2cc1C(=O)O 1772633495 LRRYCVAYJZIUHJ-UHFFFAOYSA-N 349.430 5.460 0 1 EKAF Cc1cccc([C@H](CC(=O)c2ccccc2)c2c[nH]c3ccccc23)c1 1857573184 IJJIWJMGYANCDF-NRFANRHFSA-N 339.438 5.881 0 1 EKAF O=C1c2ccccc2CCC[C@]12N=NC[C@H]2c1cccc2ccccc12 4419778 QQKNZXTUPKTGRU-JTHBVZDNSA-N 340.426 5.347 0 3 EKAF aggregator CC(C)CCC[C@@H](C)[C@@]1(C)CCc2c1ccc1c2ccc2ccccc21 2558941 STIPHXSJCFYNDG-NIYFSFCBSA-N 344.542 7.659 0 1 EKAF biogenic CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@](C)(CCC=C(C)C)CC2 13463008 ABVFMWBMLLVZDP-SZNDQCEHSA-N 346.467 5.157 0 1 EKAF biogenic C/C=C/[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470815 UPXAYCYCDXAKMG-IWHGQQBYSA-N 347.458 5.979 0 1 EKAF C[C@@H](O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 13606774 DMJYWUDBYVJYJG-IAGOWNOFSA-N 349.474 5.180 0 1 EKAF CO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCOC1 13725359 PQHZACGNAJDVHO-QHCPKHFHSA-N 348.442 5.071 0 1 EKAF O=C(O)[C@@H]1C[C@@H]1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978946 AYQLRMNZMKEEKX-FGZHOGPDSA-N 343.426 5.154 0 1 EKAF CN(C)C1CCC2(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccc12 27719646 HBLUFYAYBNIHDN-SGDIKTSBSA-N 341.882 5.159 0 1 EKAF Clc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)O2)cc1 40412785 IPDSDHBOQIJVLD-CQSZACIVSA-N 328.582 5.054 0 1 EKAF CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(F)c(F)cc2C1=O 40812400 GQZNZFMBLPCCIC-UHFFFAOYSA-N 343.373 5.012 0 1 EKAF c1csc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2OC3)c1 72176079 VVRKDVHMHCAGHD-UHFFFAOYSA-N 331.396 5.630 0 1 EKAF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc2c1 113982003 FXKUFVYULYLMDA-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(Cl)c3)c2c1 169322599 IIEXVEVQTUFPHL-UHFFFAOYSA-N 337.810 5.010 0 1 EKAF COc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 207058176 OJJQKAXKENCGGJ-HBKJEHTGSA-N 338.834 5.569 0 1 EKAF C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O 238731784 GZJLLYHBALOKEX-OZSJGBHKSA-N 328.496 6.549 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@H](C)C(=O)O 257457316 JQTZSEREVATIFK-MUGJNUQGSA-N 326.565 6.782 0 1 EKAF endogenous,in-man Cc1csc(Nc2nc(C3C4CC5CC(C4)CC3C5)c(C)s2)n1 299820851 IXOQCUCLLPYYBJ-UHFFFAOYSA-N 345.537 5.500 0 1 EKAF COc1cc2nc(C)c(-c3ccc(C)cc3C)c(O)c2cc1Cl 299820880 HOCYJEJDXMUBDL-UHFFFAOYSA-N 327.811 5.195 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586883112 GDRKLOYURGISCX-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587022967 ATHOIHYSLQOCFH-UHFFFAOYSA-N 333.460 5.651 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)cc(F)c2[nH]1 587110306 YYPHTQHBIRYLCH-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF O=C1C[C@]2(CCCC[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587525383 OWMNEKHDPOZGKZ-QPPBQGQZSA-N 346.470 5.627 0 1 EKAF O=C(c1c(-c2cccs2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587630232 WKVVISAIKXTOJP-UHFFFAOYSA-N 347.720 5.434 0 1 EKAF Fc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1 587921842 CAXRLIHNVWGHFX-UHFFFAOYSA-N 345.442 6.129 0 1 EKAF C=C(O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@@]2(C)[C@@H]1C)C(C)=CC 2356451348 CKHQIEOHUNQMAA-SFWRJULSSA-N 330.468 5.095 0 1 EKAF CO[C@@](C)(CCC=C(C)Cc1cc(C)co1)[C@H]1Cc2ccccc2O1 2356679563 XMEKRGPWDVRQKA-YADHBBJMSA-N 340.463 5.266 0 1 EKAF CCCc1nc2c3ccccc3ccn2c1Cc1ccccc1OC 199371542 IFLOVKTZOHPNSF-UHFFFAOYSA-N 330.431 5.039 0 3 EKAF COc1cc(OC)c(CC=C(C)C)c2c1C=C[C@@H](c1ccccc1)O2 15115121 GTWNOIJIMUFLGQ-IBGZPJMESA-N 336.431 5.359 0 1 EKAF biogenic Cc1cc(C(=C2CCN(C)CC2)c2ccc(C(C)C)cc2)sn1 28246504 UTHJSGYGSYIALM-UHFFFAOYSA-N 326.509 5.102 0 1 EKAF CC(C)(C)c1ccccc1[C@@]1(c2ccccc2)C(=O)Nc2ccccc21 29550800 KOTMBEHOJDTJRX-XMMPIXPASA-N 341.454 5.271 0 1 EKAF CCc1cc(O)ccc1[C@@H](CC)[C@H](CC)c1ccc(O)cc1CC 40466131 NGRQTZPPDYHJSO-PMACEKPBSA-N 326.480 5.910 0 1 EKAF Cc1ccc(-c2ccc3occ(-c4cccc([S@@](C)=O)c4)c3c2)o1 45288241 WWMZPFWZVJIQDB-DEOSSOPVSA-N 336.412 5.406 0 1 EKAF C[C@H](CC(=O)O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 71332865 GUUJYCWYHBMJMJ-SNVBAGLBSA-N 325.191 5.364 0 1 EKAF Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1 73239717 OPXIAQIQFMLKDK-UHFFFAOYSA-N 347.861 5.128 0 1 EKAF C/C(=C/CC[C@@H](C)CC(=O)O)CCC/C(C)=C/CCc1ccoc1 144393236 ANXQFMAOWXOXSP-LNLAPVODSA-N 332.484 6.166 0 1 EKAF COc1cc2cnc(C)c(Cc3ccc4ccccc4c3)c2cc1OC 145116957 OMHKVMSICNZNLK-UHFFFAOYSA-N 343.426 5.304 0 1 EKAF C[C@H](C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N=O 169684305 SMYGCCOEFJLMEV-BNZNNKDRSA-N 345.527 5.471 0 1 EKAF Fc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1C(F)(F)F 586884337 HCQXRCQUACQTDL-FZKQIMNGSA-N 346.327 5.092 0 1 EKAF Cc1cccc2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587100461 KTRARZPBZZUDFU-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF Cc1ncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587102073 OXBFXOVDCGFKIP-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF Cc1c(Br)ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587150788 UBYQDTJNHVCVLH-CLTKARDFSA-N 349.178 5.082 0 1 EKAF CC(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587215611 RCPZLCUFOVREIE-FQEVSTJZSA-N 341.454 5.104 0 1 EKAF O=C(c1ccc(-c2cccs2)cc1)c1coc2ccc(Cl)cc12 587279659 ZKGYZOUGMSDQCG-UHFFFAOYSA-N 338.815 6.046 0 1 EKAF CCSc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532099 LCTHVEKFWKBLSL-HXUWFJFHSA-N 338.472 5.384 0 1 EKAF CC(C)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cccc(Cl)c1 587628480 LRWHXXMBDRWIPM-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)c1 587933408 ZRGMKNBQCXYGSU-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF Cc1cc2c(n1CC[C@@H](c1ccc(F)cc1)c1ccco1)CCCC2 587946724 WWCFJLHUMHEAFW-FQEVSTJZSA-N 337.438 5.630 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccccn1)C(C)(C)C 963233468 ULDGLRANRDEZRA-WZONZLPQSA-N 336.523 5.222 0 1 EKAF COc1ccc2nc(C)cc(OCc3ccc4ccccc4c3)c2c1 1772647452 LDMPFGGTOFNAFB-UHFFFAOYSA-N 329.399 5.284 0 1 EKAF CCC=C(C)[C@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C 2356581612 COQVDOXGJFWFLT-AVRDEDQJSA-N 342.479 5.402 0 1 EKAF Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3cc(C)ccn23)cc1 61921475 AYZHLNIMQPCPOT-UHFFFAOYSA-N 326.443 5.517 0 3 EKAF CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437697 GVBJJKSOKACDSI-UHFFFAOYSA-N 341.470 6.050 0 1 EKAF CCCC/C=C\CCCCCCCCCCC/C=C/c1ccco1 14614284 RKZXQFSZKDXIRI-SLTFYCDYSA-N 330.556 8.330 0 1 EKAF CCOC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccc(C)cc1 43119147 WNVORYSILGLGFF-LJQANCHMSA-N 339.460 5.091 0 1 EKAF C/C1=C/[C@H](O)C(C)(C)CCC/C(C)=C/C[C@H]1OC(=O)c1ccccc1 49114815 JRSLQKPYZJDQRG-IRCGLFRWSA-N 342.479 5.066 0 1 EKAF Fc1ccccc1-c1ccc2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66099323 QFCFFJHDPGAXKF-UHFFFAOYSA-N 349.409 5.196 0 1 EKAF NC1(c2ccc(-c3nn4cccc4cc3-c3ccccc3)cc2)CCC1 84708912 KIDMFHKRSFOWBW-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF CC(=O)O[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)/C(C)=C/CO 96900624 XXKXYCZWYIZXHT-VWVWAGKGSA-N 348.527 5.046 0 1 EKAF Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccccc3Cl)C2)cc1 102038512 TXDYHOBHEBBEKZ-OAQYLSRUSA-N 349.817 5.690 0 1 EKAF COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C 140557387 JLDFFOCTFUXWEN-UHFFFAOYSA-N 336.435 5.556 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@@H]2c2ccc3c(c2)[C@H]2CC[C@H]3C2)cc1 253633637 JXPKDVUVFSQUEH-KLDKWKSESA-N 332.443 5.499 0 1 EKAF COc1ccc2nc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)sc2c1 587035534 RPZGBVSTLHIHAE-UHFFFAOYSA-N 337.448 5.146 0 1 EKAF FC(F)(F)c1cccc(CCc2cc3c4c(cccc4n2)CC3)c1 587210414 RKQYDNUEYPISRB-UHFFFAOYSA-N 327.349 5.137 0 1 EKAF Cc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1C 587241908 DLVCUYGEOJAHGK-UHFFFAOYSA-N 329.403 5.296 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccco3)cc1)CC2=O 587486335 XIWOGAZBUHUHKJ-NRFANRHFSA-N 348.398 5.311 0 1 EKAF CC1(C)Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522755 GVKQEVMQWCJQFI-QHCPKHFHSA-N 332.443 5.008 0 1 EKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587629767 GVJUAJZQEUVCCQ-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(OC)c3)c2c1 587643273 SPDBHXNRMTXRSX-CYBMUJFWSA-N 336.435 5.251 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(C)c3[nH]2)c1 587780651 XHCZGLCYOQVBHO-UHFFFAOYSA-N 328.415 5.604 0 1 EKAF CC(C)[C@H]1C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963114152 WYVKXFVLJFNYGA-OXQOHEQNSA-N 346.301 5.526 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)cs1 1857584801 LYMQFBYHEPPDPY-UHFFFAOYSA-N 328.824 5.713 0 1 EKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnoc1-2 1857617261 MLLPNHITWQWXPH-UHFFFAOYSA-N 343.467 5.923 0 1 EKAF Cc1nc(NCCC2=CCCCC2)c2c3c(sc2n1)CCCC3 215510 PROUIKFMGJPPAM-UHFFFAOYSA-N 327.497 5.181 0 1 EKAF CC(=O)O[C@@H]1Cc2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]12 13302224 DKFWEVHDRVCABW-KCZVDYSFSA-N 344.495 5.087 0 1 EKAF biogenic CC1=C(Cc2cccc(CO)c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 26166993 IGMDJXNGTXPFSD-SIKLNZKXSA-N 328.496 5.370 0 1 EKAF Cc1ccc([C@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28234228 GDTOFSFBQOMDHZ-OAQYLSRUSA-N 347.849 5.273 0 1 EKAF c1ccc(CCCCCCSc2nnc(-c3ccccn3)o2)cc1 28337553 VEAVZNGCRAJCOK-UHFFFAOYSA-N 339.464 5.027 0 1 EKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccccc1Cl 84671676 KKYPVDWXGFTXDX-JOCHJYFZSA-N 346.861 6.331 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]34CO[C@@H]2[C@H]14 95884378 UGGAILYEBCSZIV-JLBAHBRCSA-N 342.479 5.146 0 1 EKAF COCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116278979 XGVNOLKMMHQLNQ-UHFFFAOYSA-N 348.833 5.468 0 1 EKAF Cc1cc(Cl)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169699928 YACLSUDPPCIYCW-UHFFFAOYSA-N 336.822 5.212 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(C)ccnc2[nH]1 587012597 PSQHKFFJNGNYLX-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C1CCC1)C4)-c1ccccc1C2=O 587100335 GQKAUTFNMWSOGW-KRWDZBQOSA-N 325.411 5.194 0 1 EKAF Cc1ccc2c(Cl)c(C(=O)c3coc4ccccc34)sc2c1 587280825 BVCWVYCRCYZKEN-UHFFFAOYSA-N 326.804 5.840 0 1 EKAF CC1(c2ccccc2)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526249 RWDREJYSLCOSBY-UHFFFAOYSA-N 332.443 5.021 0 1 EKAF O=C1C[C@@H](c2cccc3ccsc23)Oc2c1ccc1c2CCCC1 587536329 UPXQDUJNLUZLMH-IBGZPJMESA-N 334.440 5.487 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1C 587631806 VHGKRVXJOCKILN-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)ccc(C)c2Cl)N1 962949395 LZCVWAZKZIDRHI-YUNKPMOVSA-N 342.845 5.283 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1C1CCCCC1 963241849 NXTPYNVKHXSTHP-KBMIEXCESA-N 347.546 6.480 0 1 EKAF CC(=C[C@H]1C[C@H](CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356468022 OIYBDVCLZOMQSJ-PMACEKPBSA-N 342.435 5.096 0 1 EKAF Fc1cc(F)cc(-c2c(-c3ccccc3)ncc3ccc(F)cc23)c1 36388758 FUECZKGNOJNFEM-UHFFFAOYSA-N 335.328 5.986 0 3 EKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(Cc3ccsc3)n2c1 199372325 YUGZKBNWUDFBLR-UHFFFAOYSA-N 338.863 5.615 0 3 EKAF Cc1nc(Nc2cc(F)ccc2C)c2c3c(sc2n1)CCCC3 756829 WCFGEIHKKCCXNI-UHFFFAOYSA-N 327.428 5.070 0 1 EKAF CC1=C[C@H]2c3c([nH]c4ccccc34)[C@@H](c3c[nH]c4ccccc34)[C@H]2CC1 5757776 JJBFCBBFYLXEGZ-AQOAWAETSA-N 338.454 6.235 0 1 EKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(CC3CCCCC3)c2)cc1 28463728 BQKDNDWYJPMCIK-MDWZMJQESA-N 336.431 5.280 0 1 EKAF C[C@@H]1C[C@@H](NCc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 72183891 TZPLRLKMTNURFL-VXGBXAGGSA-N 338.904 5.361 0 1 EKAF c1ccc(-c2nc3c(NC4CCCC4)[nH]c4ccccc4c-3n2)cc1 100650181 NWRVMTIXIRNDKA-UHFFFAOYSA-N 328.419 5.084 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@@H](CCOC(c1ccccc1)c1ccccc1)C2 100897370 UJEVDHRYUSUDHU-RGPKIKJVSA-N 335.491 5.056 0 1 EKAF O=C(C[C@H](Sc1ccccc1)c1ccco1)c1cccc(Cl)c1 103167700 GVMQJADNILYVMT-IBGZPJMESA-N 342.847 6.039 0 1 EKAF Cc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1C 587073348 CGYBHRBQNMGBFZ-UHFFFAOYSA-N 346.861 6.476 0 1 EKAF Cc1cc(C)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587149836 NBEGMVODNOCRSO-NRFANRHFSA-N 345.421 5.520 0 1 EKAF Cc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Cl 587173390 CLAVGSIIEJWNQK-UHFFFAOYSA-N 334.181 5.466 0 1 EKAF Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625421 HNDHZQGAHALTBO-UHFFFAOYSA-N 344.258 5.455 0 1 EKAF CCOc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)ccc1C 587778158 KCUYHTLYLMQGEG-UHFFFAOYSA-N 345.240 5.008 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(C)(C)C)N1 587812176 ISSNOHHJOHEEHJ-APPDUMDISA-N 342.296 5.164 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587967594 LMSZEJHKJLYKBI-VQHVLOKHSA-N 344.768 5.126 0 1 EKAF CCCCc1cc2c(c(=O)o1)c1ccccc1n2Cc1ccccc1 653728722 WGHWZVHSARCUNG-UHFFFAOYSA-N 331.415 5.139 0 1 EKAF CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356383436 NBDWSJHVNDJYOS-YTVPJUIYSA-N 344.583 6.363 0 1 EKAF Cc1c2c3c(c4ocnc14)[C@H](C)CC[C@@H]3[C@@H](C)[C@@H]2C=CC(C)(C)O 2356445680 JSKUEIQCYRLEIS-GBOPCIDUSA-N 325.452 5.178 0 1 EKAF COc1cc(-c2c(-c3ccco3)noc2-c2ccccc2)ccc1F 12474333 SRSGYMQXUMWASI-UHFFFAOYSA-N 335.334 5.416 0 3 EKAF CCCCCC[C@@H](CCCCC)c1ccc(S(=O)(=O)O)cc1 2038781 GHNRTXCRBJQVGN-MRXNPFEDSA-N 326.502 5.568 0 1 EKAF in-vitro CO[C@@H](C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959504 NOWHGVZPHVBLSI-AWEZNQCLSA-N 347.393 5.069 0 1 EKAF Cc1cc(CCCCCOc2ccc(-c3nc(C)c(C)o3)cc2)on1 25964572 LHLWZXSMKWZJOR-UHFFFAOYSA-N 340.423 5.047 0 1 EKAF CCCCc1ccc(-c2nc(CNCc3ccc(C)cc3)co2)cc1 72181277 LIWNPXRIVKWQKA-UHFFFAOYSA-N 334.463 5.282 0 1 EKAF CC(C)(C)/C(O)=C/C1=N[C@H]2CCCC[C@@H]2N=C1/C=C(\O)C(C)(C)C 104703870 CXQOZEWPWHHEFX-YFELIBEBSA-N 332.488 5.169 0 1 EKAF Cc1cc(F)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 587065962 AWFPBEHPRKMYCP-UHFFFAOYSA-N 339.801 5.430 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)nc3)nc3cccc1c23 587104141 OVMAEMJBTVWBLN-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cccc(Cl)c3[nH]2)cc1F 587146069 XYNSICOTKWHRGO-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF COc1cccc(/C=C2/CCCc3c2nc2cccc4c2c3CC4)c1 587214237 PJXJPIPBOSDZFR-LGMDPLHJSA-N 327.427 5.219 0 1 EKAF c1cc2c3c(c4c(nc3c1)CCCCCCCCCCCCC4)CC2 587215986 XPNVWEOKFAGLTK-UHFFFAOYSA-N 335.535 6.723 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccs1)O2 587412287 IPKHGJHDHLNFFJ-SFHVURJKSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(CCC1CCCCC1)CC2=O 587488672 KEBUPQQTICPVME-OAQYLSRUSA-N 330.468 5.429 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(C13CCC(CC1)CC3)CC2=O 587490721 UJSKQVWXFPRNDM-NAXCRDPKSA-N 328.452 5.039 0 1 EKAF O=C1C[C@]2(CCC[C@@H](c3cccnc3)C2)Oc2c1ccc1c2CCCC1 587516028 TVGDBBSKQUJXKE-UZUQRXQVSA-N 347.458 5.022 0 1 EKAF Cc1cccc(C)c1COc1ccccc1-c1nc2cccnc2o1 1772627791 KBDRPAPKKQQNTF-UHFFFAOYSA-N 330.387 5.086 0 1 EKAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCN1CCCC1 1911584812 PEWBZCRSCVXWEW-GNWIVLFOSA-N 332.576 5.481 0 1 EKAF C[C@H](O)CCCCCCCCCCCCCc1cc(O)cc(O)c1 2356300710 MSBVJZQLFJGRSQ-SFHVURJKSA-N 336.516 5.702 0 1 EKAF COC(=O)C[C@]1(C)C[C@@H]2C3=C(CC[C@@H](C)[C@@]2(C)O1)C(C)(C)CCC3 2356406056 LWWWPWARMZZQBS-DETPAEQWSA-N 334.500 5.040 0 1 EKAF Clc1ccc(Sc2ccccc2)c(NCCCN2CCCC2)c1 13763913 HFCGUNXQOCOOON-UHFFFAOYSA-N 346.927 5.389 0 1 EKAF C/C(=C/CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 14690779 ISBNMFLPVWHCIH-UPMLWZHBSA-N 338.491 5.181 0 1 EKAF endogenous,in-man Cc1ccc(Oc2cc(C)c(Cl)cc2Cl)c(CC(=O)O)c1 28766991 CBGGCCOJDILQAQ-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF Cc1cc(-c2ccco2)cn2c(CSCCc3ccccc3)cnc12 40412816 POCCTGUWTKHLJG-UHFFFAOYSA-N 348.471 5.379 0 1 EKAF Clc1cc2nc(Br)n(C3CCCC3)c2cc1Cl 40895965 ZRNFQCSLTIDTDW-UHFFFAOYSA-N 334.044 5.221 0 1 EKAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103179051 MOWUBBASQFHKFV-LJQANCHMSA-N 340.463 5.291 0 1 EKAF CCCCc1cc2ccccc2nc1-c1cc(-c2ccc(C)cc2)no1 103251893 HQJDZHRRYYXQJW-UHFFFAOYSA-N 342.442 6.208 0 1 EKAF C/C1=C/CC/C(C)=C/[C@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CC1 169334042 IZTPZZVRYDCHRL-GJFVLEOMSA-N 342.479 5.656 0 1 EKAF Cn1cc([C@@H](c2c[nH]c3ccccc23)C(F)(F)F)c2ccccc21 221077111 CQHGNYCQXMKREE-GOSISDBHSA-N 328.337 5.354 0 1 EKAF CC(C)(C)C1=NN(c2cccc(Cl)c2)[C@H](c2ccc(O)cc2)C1 299833003 UVULQEGKVBQQLI-KRWDZBQOSA-N 328.843 5.399 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(C)cc4[nH]3)cc2)CC1 586879112 DZFYDAAMXBNYKK-IYARVYRRSA-N 347.506 6.397 0 1 EKAF Clc1cccc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)n[nH]2)c1 587068334 RHSFVZIEPBYWFC-UHFFFAOYSA-N 344.805 5.427 0 1 EKAF Fc1ccc2c(-c3nc4ccc(Br)c(F)c4[nH]3)coc2c1 587176034 ZOLLUQQPBKXONO-UHFFFAOYSA-N 349.134 5.017 0 1 EKAF CCc1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587241880 KDZUPROWMXWVSX-UHFFFAOYSA-N 335.451 5.167 0 1 EKAF Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2cc(Cl)c(F)cc12 587632134 PSXFPPCXVJRAIV-UHFFFAOYSA-N 328.774 5.133 0 1 EKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633491 DWWGZPYKNREUJP-UHFFFAOYSA-N 335.300 5.586 0 1 EKAF Fc1ccc2c(Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2c1 587633789 LVYBPYKOBRNXOU-UHFFFAOYSA-N 336.797 6.371 0 1 EKAF Cc1cc2c(cc1F)[C@]1(CCC[C@@H](c3c(C)cccc3C)C1)NCC2 962091113 JGRCCNMAFYISHK-AUSIDOKSSA-N 337.482 5.450 0 1 EKAF O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccccc1 26640005 HTXLWCFRXIZERU-UHFFFAOYSA-N 337.378 5.404 0 1 EKAF CC[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638948 OSXOPUBJJDUAOJ-LTJYYOKGSA-N 344.495 5.760 0 1 EKAF endogenous,in-man Cc1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28129733 OISGIIWARZOLGX-ZRZAMGCNSA-N 326.443 5.022 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@](C)(CCC(C)(C)O)C=C4 33832394 SLEYKBUTYBQPSN-QFIPXVFZSA-N 335.447 5.345 0 1 EKAF biogenic Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@@H]1CC[C@](C)(O)C[C@@H]21 86037343 XGSIRVCZJNNOBQ-QZMQVMSPSA-N 349.474 5.435 0 1 EKAF CC(C)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C[C@@H]1C 587208410 VTMJERPDDSOIIH-KBXCAEBGSA-N 341.454 5.453 0 1 EKAF C[C@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(F)(F)F 587210864 XSMJUZPLNSLBQW-LBPRGKRZSA-N 327.349 5.504 0 1 EKAF Oc1ccc(Nc2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1 587242794 ZZIYQGZMMKIICF-UHFFFAOYSA-N 335.794 5.333 0 1 EKAF C[C@@]1(c2ccccc2C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525278 RMEUHUYSOAIKTD-DEOSSOPVSA-N 346.470 5.714 0 1 EKAF COc1ccc(OC)c(-c2nc(-c3cccc(Cl)c3)cs2)c1 587920725 NTIUOPDJRBCKKM-UHFFFAOYSA-N 331.824 5.148 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(F)c(F)c(F)c2[nH]1 587952419 QMFBUPJBQATHKC-KWBADKCTSA-N 326.362 5.027 0 1 EKAF COc1c(-c2c(C)cccc2C)cc2ccoc2c1-c1nc(C)c(C)[nH]1 45373167 VCDDHZUBDLIACB-UHFFFAOYSA-N 346.430 5.732 0 1 EKAF CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 58541674 ZVQYLLPGZZZCSV-PKOBYXMFSA-N 332.528 5.962 0 1 EKAF in-vivo CCCCC[C@](C)(O)CCC[C@H](CCCCCCC(=O)O)C(C)=O 59903437 BMOURHSOVAKOBH-ICSRJNTNSA-N 342.520 5.118 0 1 EKAF Cc1ccc2c(=S)n(-c3ccc(C(C)(C)C)cc3)c(=S)oc2c1 64235665 ZOROBSOKNOIGQY-UHFFFAOYSA-N 341.501 6.288 0 1 EKAF O=C(Nc1cccc(-c2ccc(Cl)cc2)c1)OC1CCCCC1 73168174 COUXOSGYQWFIKR-UHFFFAOYSA-N 329.827 5.888 0 1 EKAF CCCCNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 96934218 VBALRHITSPJZFK-UHFFFAOYSA-N 326.831 5.239 0 1 EKAF Clc1cccc2c1CCN[C@H]2c1sc2ccccc2c1Cl 144703116 ZBVMFGBAIFCAQZ-MRXNPFEDSA-N 334.271 5.443 0 1 EKAF CCCC[Si]1(CCCC)c2ccccc2-c2cc(C(C)=O)ccc21 473128437 ZSCJZKANTKVSGT-UHFFFAOYSA-N 336.551 5.033 0 1 EKAF Clc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052273 ZMFZNRUKHNTOII-UWVGGRQHSA-N 337.637 5.794 0 1 EKAF Cc1cc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1C 587158875 RMWTYPWDNZWTKG-UHFFFAOYSA-N 344.389 5.465 0 1 EKAF CC[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502679 DHPXSPBCTNDABS-OAQYLSRUSA-N 340.850 5.490 0 1 EKAF O=C1C[C@@]2(CCC[C@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587509845 XELGQMYIBFNOPW-UGSOOPFHSA-N 338.369 5.022 0 1 EKAF CC(C)CC[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522656 GFEANRVRRLCUCJ-JTSKRJEESA-N 326.480 5.506 0 1 EKAF CC[C@H](C)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522749 GUZLYXCXYQVMOM-VQPPSCEASA-N 326.480 5.506 0 1 EKAF CC[C@]1(c2ccsc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587530015 CAMXBEIPICWNKX-HXUWFJFHSA-N 326.461 5.206 0 1 EKAF Cc1cccc([C@]2(C(C)(C)C)c3c(F)cccc3C[C@H]3CCCN32)c1 963108400 OWEHEKPEDUOBIO-AUSIDOKSSA-N 337.482 5.444 0 1 EKAF C[C@@]1(Cc2ccc(Cl)cc2)NCCc2c(Cl)cc(Cl)cc21 963111683 RMHWEYFFNCKECW-KRWDZBQOSA-N 340.681 5.250 0 1 EKAF Cc1scc(C[S@](=O)C(c2ccccc2)c2ccccc2)c1C 1772623871 CATFUQWMHHVFPO-QHCPKHFHSA-N 340.513 5.403 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(c3cccs3)=NO2)cc1 1857636574 MJAQKMQFMCCRKZ-GOSISDBHSA-N 344.439 5.762 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)CC=C(C)C1 2356441531 WHLNVYDYKOZJJL-CZYKHXBRSA-N 348.527 5.188 0 1 EKAF CC(=C[C@@H]1C[C@@H](CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356468025 OIYBDVCLZOMQSJ-WOJBJXKFSA-N 342.435 5.096 0 1 EKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OC 26281584 CDWBSJCDQBPQKL-JOCHJYFZSA-N 347.376 5.339 0 1 EKAF O=C(OCc1ccccc1)N1C=C[C@@H]2C[C@H]1c1c(Cl)cccc12 61942410 XELSDQWBSMOHJJ-PBHICJAKSA-N 325.795 5.035 0 1 EKAF Clc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)cc1Cl 101007221 ULTBPYKLRDZXQT-UKTHLTGXSA-N 329.230 5.326 0 1 EKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(C)cc(O)cc1O 205890355 JWDIUXFSIWOGDP-NGEVDRGDSA-N 328.496 6.368 0 1 EKAF CCOC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)cc1 327286386 LDRVHQFPMSUUBR-UHFFFAOYSA-N 331.415 5.065 0 1 EKAF Fc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1Cl 587028318 QWQBSBSHPNQMAL-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Cc1cc(Cl)ccc1OCCCc1nc2c(C)ccc(C)c2[nH]1 587066487 OLQYHDNTFICULF-UHFFFAOYSA-N 328.843 5.153 0 1 EKAF Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084182 IUUWIIOABWDQIK-UHFFFAOYSA-N 333.005 5.239 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084707 GZXMKARPSYDFCW-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF Cc1ccc2c(ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c32)n1 587087217 JKXDUITZCSOAQA-UHFFFAOYSA-N 332.794 5.221 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1C[C@H]3[C@H]2CCC[C@H]21 587206064 AGYAFSLHOQSPAV-RUZGCFLTSA-N 337.422 5.447 0 1 EKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1CC3 587210144 GVXDZXRYTRIUDH-UHFFFAOYSA-N 341.376 5.972 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@]1(C)CCC(C)=C(C)C1)CC2=O 587482337 NOYPZBLBROWLCD-TZIWHRDSSA-N 328.452 5.205 0 1 EKAF CCCCCC[C@@]1(CCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526634 VYRDLBYIDCAYHM-QFIPXVFZSA-N 328.496 6.040 0 1 EKAF CC(C)(C)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529626 AKHBZDWFHWZQPG-NRFANRHFSA-N 340.488 5.534 0 1 EKAF CCC(C)(C)[C@]1(c2ccc(C)cc2)NCCc2cc(Cl)ccc21 963390629 LRYZXQVPVGLHIG-OAQYLSRUSA-N 327.899 5.474 0 1 EKAF C[C@@H]([C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1)N(C)C 2356497513 PYDXFAVAROXWAK-CQXQISCASA-N 343.555 5.085 0 1 EKAF CCCCC=CCCCCCCC[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2N1C 2356867913 WXKNMMWRWQMSDF-FSSWDIPSSA-N 347.587 6.296 0 1 EKAF O=C(NCc1ccccc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 205706756 QGCRJJCEZNLFEI-QKDPSFTKSA-N 349.474 5.419 0 3 EKAF CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC1(CCCCCCC1)O2 26840395 WJLQRNWOCLXVLI-UHFFFAOYSA-N 344.539 6.405 0 1 EKAF CC(C)c1ccc(-c2cc(NCCc3ccccc3F)ncn2)cc1 82160194 GCJUVXZOFKQESR-UHFFFAOYSA-N 335.426 5.061 0 1 EKAF CC(=O)OC/C=C(/C)CCC1=C(C)CC[C@H]2[C@@](C)(CO)CCC[C@@]12C 85992180 MCTLHBSXZUSYKL-UXXMESMYSA-N 348.527 5.191 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@]5(CCCO5)CC[C@]34C)[C@@H]1CCC2=O 118920116 RYPQMODPXMALLX-BXVPAPGVSA-N 330.512 5.147 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(Cl)cc(C)c2[nH]1 586971832 YPBLGQKJWDVJHA-UHFFFAOYSA-N 343.696 5.715 0 1 EKAF Cc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587049576 MXOJRAJBWUEVED-NWDGAFQWSA-N 331.246 5.758 0 1 EKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Cl)cc2[nH]1 587076575 WXHAQFJPBZLNLJ-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1CC3 587209518 QOHLVCKKZFWUCG-UHFFFAOYSA-N 342.269 6.260 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)CC3)sc1Br 587216478 BXQBCKRSIFOSJB-UHFFFAOYSA-N 330.250 5.133 0 1 EKAF COCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587361958 BSUAFIQXYLUYIT-UHFFFAOYSA-N 333.387 5.111 0 1 EKAF C[C@]1(CCC2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525998 UMXMDTFOBYWVHD-QFIPXVFZSA-N 326.480 5.650 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(C)c1OC(F)F 963241146 LUXPBAFAYFZYCR-KXBFYZLASA-N 345.433 5.342 0 1 EKAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1cccc2cc[nH]c12 1772589320 HLJARSHRRKKILX-VOTSOKGWSA-N 332.491 5.611 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356498255 OJZATKPMGAGZGS-JOCHJYFZSA-N 328.496 6.257 0 1 EKAF CC1(C)C=Cc2c(c3occc3c3oc(-c4ccccc4)cc(=O)c23)O1 134782 FVPDHIHSSUEMOI-UHFFFAOYSA-N 344.366 5.390 0 1 EKAF biogenic,in-vitro COc1cc(O)cc(C=C2[C@H](C)CC[C@@H]3C(C)(C)CCC[C@]23C)c1O 14714335 LDISHKNDKIDRQP-JSVDNDDVSA-N 344.495 5.752 0 1 EKAF biogenic CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 28710490 JZRFPMMWNDITRV-UHFFFAOYSA-N 340.422 6.013 0 1 EKAF COc1ccc2cc(-c3ccc(Cc4ccncc4)cc3)ccc2c1 58569303 XDUUJWUQYXFHEK-UHFFFAOYSA-N 325.411 5.501 0 1 EKAF in-vivo COc1ccc2c(CCCN3C(C)(C)CCCC3(C)C)cccc2c1 95598673 NTBUYKDNVAQONB-UHFFFAOYSA-N 339.523 5.824 0 1 EKAF Cc1cc2c3ccc(O)cc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@H]2C1)C3(C)C 103078254 YDUWCKHQORLZSO-QZMQVMSPSA-N 347.458 5.592 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C\CC[C@@H](C)/C=C\[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 195423864 QPIUBKNTZMBLLI-MVQXTLPISA-N 348.527 5.044 0 1 EKAF Cc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(F)c1 587144857 DMSGOTPTCWKRGK-UHFFFAOYSA-N 333.204 5.057 0 1 EKAF Cc1cc(F)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2c1 587242536 PAWHBRRSWHSYRQ-UHFFFAOYSA-N 333.366 5.127 0 1 EKAF COc1cccc(-c2cc(CC(C)C)nc3c2oc2ccccc23)c1 587364989 HIXHAOJWRFRGBN-UHFFFAOYSA-N 331.415 5.855 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCC3(CCCC3)CC1)CC2=O 587479343 IAAVBZCJUIUOPE-UHFFFAOYSA-N 328.452 5.183 0 1 EKAF C[C@@]1(c2nc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535740 OABXPDDCKTYENH-NRFANRHFSA-N 349.455 5.056 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2ccc(F)c(Cl)c12 587631901 ZXXYIMDFDUBKPB-UHFFFAOYSA-N 344.861 6.332 0 1 EKAF CCCCC[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587815100 YIRULLVDMLPHHV-SJKOYZFVSA-N 342.296 5.308 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)c(C)nc2[nH]1 587967316 GWFGQTDNSUNVFU-DHZHZOJOSA-N 334.261 5.179 0 1 EKAF CC(C)C(=O)[C@@H]1CCCC[C@]12NCCc1cc(-c3ccccc3)ccc12 962667665 NWPKHQZBJWOGHC-LADGPHEKSA-N 347.502 5.110 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cccc2nc(C)oc12 963244651 XFYCOKNXKSGFDA-QRQCRPRQSA-N 334.463 5.056 0 1 EKAF Cc1nc(C)c(-c2ccc(Nc3ncc(-c4ccccc4)o3)cc2)o1 13490413 PASDMUUHJKHCHN-UHFFFAOYSA-N 331.375 5.357 0 1 EKAF CC(C)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086913 XQEPCEZFJSMMPZ-UHFFFAOYSA-N 341.794 5.082 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CC(=O)C[C@@]12C 238748514 LABJRCCKHONGEZ-BNERQISMSA-N 346.511 5.254 0 1 EKAF CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 238787010 GJUNKDKCJGOYBV-AAQCHOMXSA-N 330.512 6.773 0 1 EKAF Clc1ccc(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)cc1 587016176 RBRSIYGIHYDHOZ-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1c(F)ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587050085 MRKPTFISPAPBJW-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF CC1=CC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587208012 PQKSXWRJYYVIPB-HNNXBMFYSA-N 325.411 5.660 0 1 EKAF Oc1c(-c2cc3c4c(cccc4n2)CC3)cc(Cl)c2ccccc12 587209360 OCVXIOYNUJUGRT-UHFFFAOYSA-N 331.802 5.513 0 1 EKAF c1ccc(Cc2nc3cccc4c3c(c2Cc2ccccc2)CC4)cc1 587212501 BHYSOODVPQJFPE-UHFFFAOYSA-N 335.450 5.515 0 1 EKAF CC(=O)[C@H](C/C=C/c1ccccc1)c1cc2c3c(cccc3n1)CC2 587214507 RMHSGDGCRIPTGL-MRSBXDGLSA-N 327.427 5.110 0 1 EKAF Cc1ccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587405217 JUIFKASUCNJTMB-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF CCCCC(CCCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442333 LHMHGIXLNCZMCM-DYESRHJHSA-N 330.468 5.198 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)c1ccccc1)CC2=O 587490031 QRUXNFZGYLUMQV-JOCHJYFZSA-N 338.447 5.046 0 1 EKAF O=C1C[C@@]2(CCCCC23CCCCC3)Oc2c1ccc1c2CCCC1 587530008 SXDKFLKNNHMNNT-HSZRJFAPSA-N 338.491 5.794 0 1 EKAF CCCc1[nH]c2ccc([C@@H](C)CC)cc2c1NC(=O)OC(C)(C)C 587643548 VCJXNIYDEZZZSP-ZDUSSCGKSA-N 330.472 5.981 0 1 EKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)c(C)c2[nH]1 587926688 LCDHFFCWOYVSDC-ZDUSSCGKSA-N 344.842 5.084 0 1 EKAF Cc1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c(C)n1 587949435 GPLZQXXDFUNMDK-SEYXRHQNSA-N 341.414 5.537 0 1 EKAF CC[C@H](C)[C@@H]1CCCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963118330 FKXFWNRWGSHMJK-XLWVJDPXSA-N 326.311 5.571 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772571663 QIZMKKCGLBWKJQ-LLMLREOBSA-N 347.502 5.009 0 1 EKAF O=C(O)c1ccc(/C=C/c2ccc(/C=C/c3ccncc3)cc2)cc1 1857566351 AHIJQNAQBMKURX-BSWSSELBSA-N 327.383 5.121 0 1 EKAF CCC=CCC=CC=C[C@@H](O)CC=CCC=CCCCCCC(=O)O 2356342923 FYXSGJODUCMLMK-OAQYLSRUSA-N 346.511 5.744 0 1 EKAF Cc1c2c(c3[nH]c4ccccc4c3c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c4occc4CC[C@@H]23)C1(C)C 2356792319 JOYRCQCBPRRDFA-CBJMIOPYSA-N 344.495 5.268 0 1 EKAF Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n(C)n1 13820021 CNGLADDBNIYYRC-MDZDMXLPSA-N 326.484 5.200 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1S[C@@H]1CCCC(=O)OC 27858877 UVBQAJZBOBYZGD-KMRZADIASA-N 348.552 6.009 0 1 EKAF CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 28386693 IZUMHFDUSAWWQU-QRDGOAKLSA-N 342.523 5.360 0 1 EKAF Nc1nc(-c2ccccc2Cl)cc(-c2cccc3ccccc23)n1 28707207 URVROQPRBVLBDP-UHFFFAOYSA-N 331.806 5.199 0 1 EKAF COc1ccc(-c2c(C)[nH]c(=S)n2Nc2cccc(Cl)c2)cc1 29333516 WYEWEJAOMFBWDR-UHFFFAOYSA-N 345.855 5.058 0 1 EKAF Cc1ccc2c(c1C)CN(C(=O)c1ccccc1)C[C@@H]2c1ccccc1 40556581 YCMUPXOCXDCLCL-HSZRJFAPSA-N 341.454 5.091 0 1 EKAF Clc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40862235 AZGVHXKCDAYGAE-SFHVURJKSA-N 347.245 5.400 0 1 EKAF COC(=O)C1=C(C)N(c2cccc(C)c2C)C=C(C)[C@@H]1c1ccccc1 52566326 LBRKLVUYYHWYMV-OAQYLSRUSA-N 347.458 5.258 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(-c3ccccc3)no1)O2 72113586 PHBWTVHFQHQPIU-QFIPXVFZSA-N 349.430 5.213 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@@H]4CC[C@@H](C[C@H]3c3ccccc3)S4)on2)cc1 101388799 GGNBFDVFZAGDEV-YHDSQAASSA-N 347.483 5.877 0 1 EKAF CC[C@H](C)[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920087 HIGRNMBHEGUXBW-IBVOHGGXSA-N 346.555 5.375 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 250496982 CSVZRSLESIKPMY-TZOBPFOUSA-N 347.458 5.244 0 1 EKAF Cc1cc(C)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113070 JQTVVWIXZKQQOX-CYBMUJFWSA-N 332.369 5.545 0 1 EKAF Cc1ccc(-c2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587361657 XZLCZILXZVLOPF-UHFFFAOYSA-N 342.467 5.741 0 1 EKAF O=C1C[C@@H](c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587524003 JOXDPIPSVREHIC-QFIPXVFZSA-N 328.411 5.425 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-n3ccnc3)c2c1 587642098 LWAZECSWAICELA-AWEZNQCLSA-N 333.410 5.673 0 1 EKAF Clc1ccnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587949646 JUONYBXGVVZKEB-ZHACJKMWSA-N 347.805 5.574 0 1 EKAF Fc1cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587951415 ZPNBPFVPFUQQKM-KHPPLWFESA-N 331.350 5.060 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc3ccccc23)N1 962942563 FWIBGLQLZYAMEK-QRQCRPRQSA-N 342.442 5.040 0 1 EKAF COc1ccc(-c2cc3cc(-c4ccccc4)cc(C(C)=O)c3[nH]2)cc1 1857601486 DLVSVSFNJQESDV-UHFFFAOYSA-N 341.410 5.713 0 1 EKAF CCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12 1857614887 ODUNPQHAPABBBF-UHFFFAOYSA-N 345.320 5.236 0 1 EKAF Clc1ccc(C(=CBr)c2ccccc2Cl)cc1 2356426119 QCCRPLPTELVLHD-UHFFFAOYSA-N 328.036 5.778 0 1 EKAF C=CC1=C(C)[C@@H]2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 2356532795 YHLITXUMLUPSSE-UERWRGBPSA-N 330.512 5.683 0 1 EKAF CC(C)(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 61921027 VYZSUHOYVRBCRQ-UHFFFAOYSA-N 333.262 5.897 0 3 EKAF CC(C)c1ccc(S[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604923 BDFAXYGGPHUXRR-QGZVFWFLSA-N 334.868 5.251 0 1 EKAF CC(C)=CC/C=C(\C)[C@@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611871 FOCRIHXZXHBZHM-GNYRPXIHSA-N 340.463 5.500 0 1 EKAF in-vitro COc1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107283 DMMQLOOWARMXLU-QFIPXVFZSA-N 339.479 5.024 0 1 EKAF Cc1ccccc1-c1nnc(Nc2nc3ccc(Cl)cc3s2)o1 98082605 GBOLYRVXBVMQGK-UHFFFAOYSA-N 342.811 5.052 0 1 EKAF CCCCCCN1CCN2C[C@H](c3ccccc3)c3ccccc3[C@H]2C1 167558910 IXWSQWDWBZOAFH-DNQXCXABSA-N 348.534 5.071 0 1 EKAF CCc1cc(OCc2nc3cccc(C(C)(C)C)c3[nH]2)ccc1Cl 587052731 KJSXGVBBFFVHRT-UHFFFAOYSA-N 342.870 5.655 0 1 EKAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(F)c1 587151357 YQSRHCXGAZEKIM-RQOWECAXSA-N 342.242 5.169 0 1 EKAF COc1ccc(-c2sc3ccccc3c2-c2ccc(O)cc2)cc1 61969043 BIFMXJBRWDNSAA-UHFFFAOYSA-N 332.424 5.950 0 3 EKAF Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 10115 PLROHMUOLNMPBX-UHFFFAOYSA-N 329.378 5.132 0 1 EKAF C/C=C/[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470817 UPXAYCYCDXAKMG-JHTBKMLMSA-N 347.458 5.979 0 1 EKAF CC(C)c1ccc(O[C@](C)(C(=O)O)[C@H](C)c2ccc(Cl)cc2)cc1 13604906 XNPGIRCXGHDZNF-VLIAUNLRSA-N 346.854 5.489 0 1 EKAF C[C@H]1C[C@@H](Nc2cncc(Oc3ccccc3F)n2)CC(C)(C)C1 82068715 HGLKHKJOZYFGDB-UONOGXRCSA-N 329.419 5.035 0 1 EKAF CSc1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1 83291434 WBKCNRAARJBNKY-UHFFFAOYSA-N 344.863 5.308 0 1 EKAF CCCCCc1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1 95579796 JSJIONMPHFVJMY-UHFFFAOYSA-N 336.431 5.131 0 1 EKAF Oc1ccc(-c2cscc2-c2ccc(O)cc2Cl)c(Cl)c1 95585964 GZPALVSYJBDLGN-UHFFFAOYSA-N 337.227 5.800 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895396 YZYKFXPHTFZSSN-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF CCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099870 WBWMNHNHPGTLQR-UHFFFAOYSA-N 349.433 5.984 0 1 EKAF CS[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101958 KEMYBCAPYKMPJF-KRWDZBQOSA-N 345.467 5.495 0 1 EKAF Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)c1coc2ccccc12 587280866 DWENPHZITUUBIE-UHFFFAOYSA-N 336.774 5.886 0 1 EKAF CCCCCC1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 587487299 ZRZNPWQZZVJBMX-UHFFFAOYSA-N 344.495 5.819 0 1 EKAF CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)O[C@H](c3ccccc3Cl)[C@H]12 653813181 PAEJUDZGNUJHMG-UDUZWTERSA-N 330.855 5.327 0 1 EKAF CCC[C@@]1(c2ccc(F)cc2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962942711 BVUNERKCNSEEJU-VGSWGCGISA-N 336.454 5.275 0 1 EKAF CCCN1[C@H](c2ccc([C@@H]3CCCCO3)o2)c2ccccc2C[C@H]1C 963240613 KXFQUXCHDHVTEH-WVBUVRCRSA-N 339.479 5.267 0 1 EKAF Clc1ccc([C@H]2CC[C@]3(C2)NCCc2cc(Cl)ccc23)cc1 963390385 IUPRUWJBBYZTKO-HNAYVOBHSA-N 332.274 5.302 0 1 EKAF Fc1cccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)c1 1772575068 LQCZDDBBRKKKBN-GJZGRUSLSA-N 339.237 5.180 0 1 EKAF Cc1ccc(-c2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 1772584323 FTWRZMDRFJDKHW-UHFFFAOYSA-N 327.431 5.321 0 1 EKAF CO[C@](C)(C=CCC(C)=CCCc1ccoc1)CCCc1ccoc1 2356464621 QEOMOIGEWTZICK-JOCHJYFZSA-N 342.479 6.126 0 1 EKAF CC(=CC=C[C@H](C)C(=O)O)C1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356804729 ZKLBXGLVQXCIRO-SVMVAKDDSA-N 330.512 6.153 0 1 EKAF O=C(C[C@@H](C(=O)c1ccsc1)c1cccs1)c1ccccc1 1861825 FBUUQQWJACMNKO-OAHLLOKOSA-N 326.442 5.049 0 1 EKAF C[C@@H](O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 5812249 MSICOSWQOQACHW-HXUWFJFHSA-N 346.470 5.156 0 1 EKAF CC[C@H](C)CCc1c(C)c(O)c(NC(C)=O)c2c1[nH]c1ccccc12 13370225 BXGMJQBTYCHLLL-LBPRGKRZSA-N 338.451 5.272 0 1 EKAF biogenic CC(C)=C/C=C/[C@]1(C)CCc2c(cc(C)c(CC=C(C)C)c2O)O1 13403744 ORUDNNWDGASPOM-JNKLARPZSA-N 326.480 5.815 0 1 EKAF CCCCCC[C@@H](O)/C=C/C=C/CCCCCCCCCC(=O)O 26578652 YYKDRLLOUHUEFD-OFPQMIPSSA-N 338.532 6.026 0 1 EKAF CSC[C@@H](Cc1ccccc1)Nc1nc2cc(C(C)C)ccc2o1 28002189 JBJSHBGKEHMLPA-QGZVFWFLSA-N 340.492 5.337 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2cccc(N)c2)cc1 95563857 ZBRHRSJNDLGKPP-GMAHTHKFSA-N 346.518 5.360 0 1 EKAF COc1ccc(NC(=O)c2oc3cc4occ(C)c4cc3c2C)cc1 103248324 MKJIMQDAKGUTKU-UHFFFAOYSA-N 335.359 5.057 0 1 EKAF c1ccc(Nc2ccc(Oc3ncccc3N3CCCCC3)cc2)nc1 138953714 MEMRLRMKYOCWSK-UHFFFAOYSA-N 346.434 5.003 0 1 EKAF Cc1ccccc1O[C@@H](CC1CNC1)c1ccc(Cl)c(Cl)c1 299836883 IGFZSDUARCFCFB-SFHVURJKSA-N 336.262 5.031 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C)cc4[nH]3)c2)cc1 586881068 RYCZSQPNQGKHPM-UHFFFAOYSA-N 326.399 5.408 0 1 EKAF Cc1ccc2c3c(cc(C4CCSCC4)nc13)-c1ccccc1C2=O 587100845 AXFDMVKTCFJKFL-UHFFFAOYSA-N 345.467 5.365 0 1 EKAF COc1ccc(NC(C)(C)c2nc3cc4ccccc4cc3[nH]2)cc1 587201915 YYTLCTNTKZSKKR-UHFFFAOYSA-N 331.419 5.072 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CCC(C)C)CC2=O 587477373 BZGUEJNXVOSEHH-QVKFZJNVSA-N 330.468 5.285 0 1 EKAF CCN(C(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12)c1ccccc1C 587629967 BJPSCWFJVXOJFN-UHFFFAOYSA-N 344.817 5.244 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(C)C)c(C(=O)Nc3ccccc3)c2c1 587642239 JXFJFRQSGAJDEQ-OAHLLOKOSA-N 334.463 6.057 0 1 EKAF Cc1ccc(C)c(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587959828 WOUWGGGBVVNLJN-UHFFFAOYSA-N 328.415 5.563 0 1 EKAF Fc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1F 1857648613 TYPVNOARTDROBP-UHFFFAOYSA-N 334.325 5.349 0 1 EKAF CCCCNC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C 1857772687 QCUPRKOLVKKSDL-UHFFFAOYSA-N 341.455 5.093 0 1 EKAF CCCC[C@H](CC)COC(=O)C=Cc1ccc(OCOC(C)C)cc1 2356655437 FTHDDKHVYWOPSJ-SFHVURJKSA-N 348.483 5.221 0 1 EKAF C[P@@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccccc1 3151887 MKUNBZPZHNINQV-NRFANRHFSA-N 347.298 5.612 0 1 EKAF CCCC[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 8628805 IZVYKSOTNOCYLS-UWWQBHOKSA-N 331.843 5.230 0 1 EKAF aggregator CCCn1c(C)c(C(=O)c2cc(N)cc3ccccc23)c2ccccc21 28119400 ZNLJJLJJEWZBTP-UHFFFAOYSA-N 342.442 5.326 0 1 EKAF O=C(C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 35076176 QITBXTLPRYWCHX-FQEVSTJZSA-N 325.411 5.573 0 1 EKAF O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)c1ccccc1 40548368 QKNMYXOUXAVMMB-UHFFFAOYSA-N 339.398 5.231 0 1 EKAF CCCCOc1ccc(-c2nc(CNC3CCCCCC3)co2)cc1 72101828 UQRVQVYVDARNAQ-UHFFFAOYSA-N 342.483 5.333 0 1 EKAF CC(C)c1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1CO 73295313 USUANCDGWNOSIV-UHFFFAOYSA-N 332.487 6.420 0 1 EKAF O=C(Cc1ccccc1Cl)Nc1cc(Cl)cc(C(F)(F)F)c1 96283173 MTLMZCZRKSZHMC-UHFFFAOYSA-N 348.151 5.193 0 1 EKAF Clc1ccccc1-c1nc(CN2CC[C@H]3CCCC[C@H]3C2)co1 299810943 XVZJUGJINNLDBY-CABCVRRESA-N 330.859 5.007 0 1 EKAF Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 299858835 HBUQBRAPMNUSAQ-UHFFFAOYSA-N 339.442 5.460 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(OC(C)C)cc2[nH]1 586878930 MTOVSJQBSGJIMD-UHFFFAOYSA-N 342.442 5.993 0 1 EKAF Cc1nccc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587062147 CNPQCOSEPJMJEF-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF Cc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074344 STCMBVUIBALNJW-SFHVURJKSA-N 343.833 5.001 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccc1)CC3 587206620 FVKMDMRQDOYKJT-INIZCTEOSA-N 347.417 5.524 0 1 EKAF O=C(c1c(F)cccc1C(F)(F)F)c1coc2ccc(Cl)cc12 587279103 VXLHQFRFFFFJKH-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@@H](C)CC)CC2=O 587485287 UMYHNDDQEZDQFR-AVBTWRTFSA-N 330.468 5.285 0 1 EKAF O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633670 JHQYPGWANPFTTL-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF Cc1cc(-c2[nH]c3cc(F)ccc3c2N2CCCCC2)cc(C)c1O 587636693 DDCIXLJKRGTUGH-UHFFFAOYSA-N 338.426 5.287 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3ccccc3cc2[nH]1 587933950 BBYJNGMNLFXXKX-UHFFFAOYSA-N 340.426 5.297 0 1 EKAF O=C(CCc1ccccc1)c1nc2cc(Oc3ccccc3)ccc2[nH]1 587953030 DFBHHRFNCRTRSD-UHFFFAOYSA-N 342.398 5.171 0 1 EKAF Clc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2c(Cl)n1 587967307 GUYHDXAQGRHVMY-CMDGGOBGSA-N 340.213 5.588 0 1 EKAF O=C1OCc2cc(-c3ccc(-c4ccc(Cl)cc4)s3)ccc21 653762949 KITODVRKZFWQJW-UHFFFAOYSA-N 326.804 5.406 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H]([C@H](C)CCC=C(C)C)C[C@H]21 2356485959 ZGRUAOBBKAMJBH-RXRQOCSWSA-N 348.527 5.633 0 1 EKAF COc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3n2C)c1 74387106 JIHUGQRITVKVQY-UHFFFAOYSA-N 347.393 5.132 0 3 EKAF CC(C)C1=C2CCC(COC(=O)c3ccc(O)cc3)=CC[C@@]2(C)CC1 13432020 OKXGQALERULNCC-QFIPXVFZSA-N 340.463 5.412 0 1 EKAF biogenic CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 32175765 VCDLWFYODNTQOT-RMIMTOJASA-N 342.523 6.637 0 1 EKAF CC(=C/C=C/C(C)=C/C(=O)O)/C=C/C1=C(CC(C)C)CCCC1(C)C 40403606 HJDXHVHASFJGNS-PPHIEQMISA-N 342.523 6.629 0 1 EKAF COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12 40412216 ICQWPUICUNPYEC-UHFFFAOYSA-N 348.446 5.790 0 1 EKAF Cc1ccccc1NNC(=O)Nc1sc2ccccc2c1Cl 69063702 QEDFSTGWJIKXSQ-UHFFFAOYSA-N 331.828 5.012 0 1 EKAF O=C(O)c1cc(-c2ccccc2)c2ccc(Oc3ccccc3)cc2c1 71317481 ZGPCPCXGKKJJBA-UHFFFAOYSA-N 340.378 5.997 0 1 EKAF CC(C)CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 103235256 YJROPBJTXCZHED-UHFFFAOYSA-N 329.252 5.102 0 1 EKAF Cc1cc(CNC2CCCC2)cc(C)c1OCc1ccc(Cl)cc1 169302907 POIMVBBAQAABLL-UHFFFAOYSA-N 343.898 5.568 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(C(C)(C)C)c2[nH]1 587062993 YZPGBGNGBOCTQA-MRXNPFEDSA-N 342.870 6.044 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587075251 AJBYVSALTDGHJE-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Fc1ccc(/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)c(F)c1 587147691 AUADEIRIIGIOLU-DUXPYHPUSA-N 325.145 5.318 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OCC(F)F)cc3)c(C)c2c1 587641448 IVQLNOXGINUHFA-ZDUSSCGKSA-N 343.417 6.301 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(N3C(=O)CCC3=O)c2c1 587641556 HKOAOXVOMWULIT-CQSZACIVSA-N 346.430 5.002 0 1 EKAF Cc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587956980 XLOCCVPQTBINFY-GOSISDBHSA-N 346.861 5.899 0 1 EKAF CCCc1ccc(Oc2cc(CCC)cc(OC)c2OC)c(OC)c1 1857574698 DLYMXJXGKUTWGO-UHFFFAOYSA-N 344.451 5.410 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(C(=O)O)ccc1O 2356688184 QUYGEGSOVYMIEU-UHFFFAOYSA-N 342.479 6.052 0 1 EKAF CC(=O)O[C@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@@H]2C(C)C 2356801299 RLXJCCXGMIMKOS-CZYKHXBRSA-N 348.527 5.595 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1 195463217 GXUZTDABZYSZGR-ROUUACIJSA-N 330.475 5.570 0 3 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13302669 CZEPBGSMIRTHKN-KKSFZXQISA-N 330.468 5.195 0 1 EKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC 13761097 YLFLZSQBPHMIBS-GKFVBPDJSA-N 345.571 6.658 0 1 EKAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 29042251 BKJINAIBPPZCQQ-FYAYBGKVSA-N 348.527 5.354 0 1 EKAF Clc1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1 29045115 NWLFUNAYJKKBKR-UHFFFAOYSA-N 343.902 5.298 0 1 EKAF CCC/C=C\C/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 33832576 IZGYQWUVUWZOPQ-AFJQJTPPSA-N 330.512 6.592 0 1 EKAF biogenic,in-vitro CC(C)CCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O 40836405 UVIQQIGRSSAFBZ-UHFFFAOYSA-N 348.442 5.857 0 1 EKAF Oc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1 45338995 GWQOJNLUSACQPH-LJQANCHMSA-N 347.805 5.104 0 1 EKAF CCc1ccc(OCCCC(=O)Oc2ccc3ccccc3c2)cc1 45340071 NPKPQMYLXPQZHA-UHFFFAOYSA-N 334.415 5.167 0 1 EKAF O=C(CC[C@H]1CCc2ccccc2[C@H]1c1ccccc1)N1CCCCC1 64516498 IGWDATJSMRPGKW-QPPBQGQZSA-N 347.502 5.174 0 1 EKAF CCC(CC)c1cc(C)n2nc(-c3cc(C)c(C)cc3C)c(C)cc12 73163988 AMZRQRYADJTJOL-UHFFFAOYSA-N 334.507 6.447 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)CCCO 90427690 REKBPVNFOXDNRG-MLFLMRJSSA-N 346.555 6.474 0 1 EKAF CC(C)c1cc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)on1 100985559 VORLYPMDEILSSB-CIWUYKSXSA-N 344.886 5.185 0 1 EKAF Cc1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103187877 ZGNWCHPLGNVSKA-UHFFFAOYSA-N 344.336 5.572 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Oc3ccccc3)cc21 143411470 PZCFFAOLNLVUNY-IBGZPJMESA-N 342.316 5.258 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NC 169359593 JOBBYDDNTZTZMO-DDHXBNBWSA-N 332.532 5.671 0 1 EKAF CC(C)c1cc(-c2nc3cc4ccccc4cc3[nH]2)c(O)c(C(C)C)c1 586896612 OVSKHCHXCAUTIR-UHFFFAOYSA-N 344.458 6.336 0 1 EKAF CC(C)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990681 NMUFQXWOIZMGTP-ZDUSSCGKSA-N 343.426 5.228 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2C1 587032843 BPVYUPNHUILIGT-SECBINFHSA-N 336.382 5.435 0 1 EKAF COc1cc(-c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046148 LEIWOJMVAPEKSR-UHFFFAOYSA-N 348.805 5.066 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cnc3ccccc3c2[nH]1 587062297 QVWZHOPGVUBEES-MRXNPFEDSA-N 337.810 5.295 0 1 EKAF Clc1[nH]c2ccccc2c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587086699 CVOAYJKMPVNLNF-UHFFFAOYSA-N 337.597 5.066 0 1 EKAF Cc1cccnc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587105721 GFHWOGYXMYJGOT-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF CC[C@@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587527027 YAWKBGKWZCADSR-QHCPKHFHSA-N 334.459 5.453 0 1 EKAF Cc1cccc(C[C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527382 UQVCYBRUUUYGHQ-XMMPIXPASA-N 346.470 5.231 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c(C)c1 587631613 QPKOXCQHRIJENB-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CCc1cccc2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587875228 BUEWIDYQAQYKMM-UHFFFAOYSA-N 337.379 4.956 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)cc1 587936714 YRIVCJAJNFZJFJ-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF COc1ccc2c(c1)C[C@H](c1nc3cccc(C(C)(C)C)c3[nH]1)CC2 587947112 SUTXUJFAVXBSTR-OAHLLOKOSA-N 334.463 5.142 0 1 EKAF C/C(=C\c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C1CCCCC1 587968593 SFSPDKVNBFJCBV-SDNWHVSQSA-N 346.478 5.378 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C1 587970103 YPRMGGJCCBKRFN-QZTJIDSGSA-N 348.490 6.072 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCN2CCC[C@H](C)C2)cc1 1857538754 ZNIBZXYWEHLBPD-FQEVSTJZSA-N 345.571 6.045 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(C)cc(O)cc2O1 2356625579 QJCFVYYUAJZBKT-QFIPXVFZSA-N 326.480 6.338 0 1 EKAF Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn23)cc1 61921042 CHMOLLBTYXPGAE-UHFFFAOYSA-N 346.861 5.862 0 3 EKAF O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccc2ccccc12 13493269 LNUVENRLEIHWMA-UHFFFAOYSA-N 347.805 5.136 0 1 EKAF CC(C)(C)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671503 ZACDYWASKXZPGH-VCENLASZSA-N 346.555 5.375 0 1 EKAF CCCCCCc1ccccc1CCCCCC(=O)C(F)(F)F 26647521 ZISUMJOTBUBQRY-UHFFFAOYSA-N 328.418 6.044 0 1 EKAF CCCO[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26994036 PJEFWRFWSGVMAK-NRFANRHFSA-N 335.447 5.779 0 1 EKAF OCCCCCCCCCCCCCCc1c[nH]c2ccccc12 28637995 IHWYBJGNIDJJAS-UHFFFAOYSA-N 329.528 6.384 0 1 EKAF CC(=O)O[C@@H]1CC/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@]1(C)O2 100060724 HVBACKJYWZTKCA-WVGMXDKDSA-N 348.527 5.739 0 1 EKAF in-vitro Oc1ccc(C(=C2CCc3ccccc3C2)c2ccc(O)cc2)cc1 584904965 VWBHJKZUPJSBJB-UHFFFAOYSA-N 328.411 5.089 0 1 EKAF in-vitro Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2n1 587030522 GHVNCHVMRWZYMH-GFCCVEGCSA-N 348.475 5.225 0 1 EKAF COc1cccc(-c2cc(CCC3CC3)nc3c2oc2ccccc23)c1 587365106 HVYAWZVNCOPLFF-UHFFFAOYSA-N 343.426 5.999 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3oc4ccccc4c3c1)O2 587410834 GQACZDOSJAJRIJ-NRFANRHFSA-N 343.382 5.183 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)cc1Cl)CC2=O 587463129 UKKCBNKJBZSVFG-GOSISDBHSA-N 330.811 5.013 0 1 EKAF CC1(C)[C@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527808 WRPOYPYDRQDEOI-RDPSFJRHSA-N 346.470 5.483 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(C)cc(C)c4[nH]3)ccc2c1 587934298 IYEPKEPWWRIWFI-OAHLLOKOSA-N 330.431 5.493 0 1 EKAF C[C@]1(Cc2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962671815 XERQVSYBKIJREP-HSZRJFAPSA-N 347.889 5.611 0 1 EKAF CC1(c2ccccc2)CC2(C1)c1ccsc1CCN2Cc1ccco1 962707802 OQENBLIZYKFXHU-UHFFFAOYSA-N 349.499 5.346 0 1 EKAF CCCC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857757579 NDXAFUDJWJIIJQ-UHFFFAOYSA-N 328.415 5.727 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@@H]2[C@](C)(O)C1 2356392675 LQNQQEXNXLBURL-LXHROKJGSA-N 348.527 5.188 0 1 EKAF CCCCCCC(C)=CC(=O)OC[C@@H](C)CCC[C@@H](C)CC(=O)O 2356473508 HPMCDJQPMNPVHR-AEFFLSMTSA-N 340.504 5.364 0 1 EKAF CC(=CC(=O)OCc1ccoc1)CCC=C(C)Cc1cc(C)co1 2356625701 WMZXPVNHOWYKDN-UHFFFAOYSA-N 328.408 5.140 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O 12495849 ORMFWDWAJNERRN-VAMGGRTRSA-N 326.565 6.926 0 1 EKAF endogenous,in-man CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1S[C@@H]1CCCC(=O)OC 27858884 UVBQAJZBOBYZGD-FASLYVCMSA-N 348.552 6.009 0 1 EKAF Cc1ccc([C@@H]2Nc3c(C)cccc3C(=O)N2c2ccccc2)s1 95584150 REWAUGRSTYZAMK-LJQANCHMSA-N 334.444 5.136 0 1 EKAF Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2[C@@H]2CC[C@@H]3C2)cc1 102964162 VUYJQNGDBIDWOQ-RTBURBONSA-N 330.496 7.064 0 1 EKAF Fc1ccc2c(c1)CCCN2Cc1sc2ccccc2c1Cl 144699467 SDZWGORXUIAQHQ-UHFFFAOYSA-N 331.843 5.647 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O 198625428 RILVNGKQIULBOQ-QNEBEIHSSA-N 334.544 7.221 0 1 EKAF in-vitro Cc1ccc2c(ccc3nc([C@H](C)SCc4ccccc4)[nH]c32)n1 586962680 UPJIOMRQSOGARH-AWEZNQCLSA-N 333.460 5.414 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc3ncccc3c2[nH]1 587061160 BPHRAZGVZAUYQP-MRXNPFEDSA-N 337.810 5.295 0 1 EKAF CC(C)(C)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131548 NBRTYZAXICXGSN-UHFFFAOYSA-N 340.417 5.742 0 1 EKAF CC(C)[C@@H]1CCc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587207124 HYSIMJLAORPMPB-GJZGRUSLSA-N 341.454 5.768 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1CCCC[C@H]31 587208503 XJNWCYGLYNODER-CABCVRRESA-N 339.438 5.666 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccsc3)cs1)O2 587408863 DVNCTGSYTASEIE-MRXNPFEDSA-N 341.457 5.074 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(C)s1)CC2=O 587492126 AVXXJQPOXDFJBJ-FQEVSTJZSA-N 344.476 5.375 0 1 EKAF CC(C)c1nc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587535763 OCXIEXGWCGNWML-HXUWFJFHSA-N 341.476 5.026 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(-n3ccnc3)c2c1 587643969 ZIRYUMYRICBBOJ-CQSZACIVSA-N 333.410 5.673 0 1 EKAF COc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1C 587962123 SCAOPFYVONILCY-UHFFFAOYSA-N 328.415 5.138 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]21CCC[C@H]1c1ccc(Cl)cc1 963010249 MQXHTNPZSJYHKC-PKOBYXMFSA-N 331.912 5.327 0 1 EKAF CCCc1ccc([C@]2(C(C)C)NCCc3cc(Cl)ccc32)cc1 963391464 UHMUVTYBHHOCOJ-NRFANRHFSA-N 327.899 5.338 0 1 EKAF CCCCCC/N=c1\ccn(Cc2ccccc2)c2ccc(OC)cc12 13741411 AKTUPZSAOZHNRV-ZNTNEXAZSA-N 348.490 5.179 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(F)cc2c1=O 29332178 LJVUOPAVNMTLSO-UHFFFAOYSA-N 329.374 5.310 0 1 EKAF CCc1ccc(NC2=NN=Cc3cc4cc(C)ccc4nc3S2)cc1 98082439 HIXYMSKSGPRSHJ-UHFFFAOYSA-N 346.459 5.013 0 1 EKAF Cc1cc2c(cc1C)N[C@@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 100644445 FDVZYQKXLPWYJY-NRFANRHFSA-N 347.462 5.570 0 1 EKAF c1ccc2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc2c1 587023603 MYPLSMLOELJPSR-UHFFFAOYSA-N 333.441 5.568 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587055074 RBOBPYFVGKVVOU-JXMROGBWSA-N 345.273 6.338 0 1 EKAF CCOC1=C(C)c2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587097210 JOLIYWVYYFIUKB-UHFFFAOYSA-N 341.410 5.078 0 1 EKAF CC(C)C[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587207554 NHJXYYOLUWDYPN-CQSZACIVSA-N 327.427 5.522 0 1 EKAF COc1cccc(-c2c(C)c(CC(C)C)nc3c2oc2ccccc23)c1 587364535 DBFLJISZSYUTGO-UHFFFAOYSA-N 345.442 6.164 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](CC(C)C)C1)CC2=O 587477546 CVCSYHYFASHKQB-QVKFZJNVSA-N 330.468 5.285 0 1 EKAF C[C@@](Cl)(c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499020 QHTMWQAOQQFXOB-TZIWHRDSSA-N 340.850 5.053 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cc1 587628941 BXVVEBOVJBEDPE-UHFFFAOYSA-N 337.728 5.384 0 1 EKAF CCCCC/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817973 FUEKPLYKASFDHD-UJOIQMEZSA-N 340.280 5.300 0 1 EKAF CCc1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587933823 WCIVTDVWODGBNA-UHFFFAOYSA-N 344.414 5.174 0 1 EKAF Cc1nccc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587950655 STDYLJNOQDGRIV-QXMHVHEDSA-N 327.387 5.229 0 1 EKAF CC(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587951048 IMNZYGLXMOGKMU-AWEZNQCLSA-N 330.387 5.059 0 1 EKAF COc1ccc(-c2cn3cccc(-c4ccc(Cl)cc4)c3n2)cc1 1911586541 WUVJQSVZDQNXPZ-UHFFFAOYSA-N 334.806 5.330 0 1 EKAF CC(=O)O[C@@H]1C[C@]2(C)C(=C3CC=C(C)CC[C@@]31C)CC[C@H]2C(C)C 2356397073 FTFLXFWZKWKBEX-XGARDCMYSA-N 330.512 5.827 0 1 EKAF CC(=O)CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@H](C)CC(=O)O 2356447757 CIIWZLVTUAUIGG-RLAAWKOZSA-N 348.527 5.635 0 1 EKAF COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3CC(C)(C)CC[C@@]31C)O2 2356519774 OTQYXSRTAPOZDP-PWZKMPOXSA-N 328.496 5.631 0 1 EKAF CC(C)=Cc1cc(CCCC(C)=CCc2c(O)cc(C)cc2O)co1 2356692789 LFHUMFIPBHTBDU-UHFFFAOYSA-N 340.463 5.934 0 1 EKAF Cc1c(-c2ccccc2)[nH]c2ncnc(Nc3cccc(Cl)c3)c12 3815180 SUHVLNRNLVTOCF-UHFFFAOYSA-N 334.810 5.330 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC=C2c1cccnc1 26498502 SHEKPCQUIGUFBA-DWQJTFDBSA-N 331.459 5.337 0 1 EKAF COc1ccc(Cl)cc1-c1cc(N)cc(Nc2ccc(C)cc2)n1 28523381 WRKHRRJXUCPGSL-UHFFFAOYSA-N 339.826 5.045 0 1 EKAF Fc1ccc(CO[C@@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821351 KDNSMEAAGOIIEF-QFIPXVFZSA-N 346.405 5.134 0 1 EKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccccc3)CC[C@@H]12 29399581 RDNUFPFDKVBGIK-UUFXTFJOSA-N 346.514 6.335 0 1 EKAF Cc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)s4)[nH]3)cc12 29466429 FVCPXMAUPISZRS-UHFFFAOYSA-N 337.400 5.471 0 1 EKAF COc1ccc2c(c1)[C@@H](N(C)C)C[C@H]2c1ccc(Cl)c(Cl)c1 29483324 WJBOEJSDTQYWJJ-KSSFIOAISA-N 336.262 5.140 0 1 EKAF FC(F)(F)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 43443089 QBQZQAHQMFRQEJ-FQEVSTJZSA-N 326.361 6.165 0 1 EKAF C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 66098714 WUCDAGXMTBSACX-CQSZACIVSA-N 329.871 5.057 0 1 EKAF COc1cccc(Nc2nc3ccccc3cc2-c2ccccc2)c1 84688076 PDFIINMMASJXRZ-UHFFFAOYSA-N 326.399 5.654 0 1 EKAF CO[C@@]12CC[C@]3(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]3C1=CC(=O)O2 86002327 FCFUSYHGZLEMJM-KBZXYWFLSA-N 346.511 5.123 0 1 EKAF in-man Cc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1C 221096519 BUFBZQNYUFQNEX-GOSISDBHSA-N 337.444 5.034 0 1 EKAF Clc1ccc2sc(SCCCCCn3ccnc3)nc2c1 299859984 ISHOSZWXUJZMLH-UHFFFAOYSA-N 337.901 5.109 0 1 EKAF CC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299863163 OQENDKCOJPNMNO-GFCCVEGCSA-N 348.269 5.017 0 1 EKAF Fc1cc(Br)ccc1-c1nc2ccc3c(c2[nH]1)CCCC3 587142607 HSOQJNACUQGBCD-UHFFFAOYSA-N 345.215 5.010 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587207076 QOBURNDJZAUNCY-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)c1 587233406 ORMCEZIGCZADJK-UHFFFAOYSA-N 327.431 5.555 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2c(C)cccc12 587523016 GQBYDUWFAFHSPY-FQEVSTJZSA-N 345.442 5.370 0 1 EKAF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629805 IMDLOCAGEFRXTL-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)cc3)c2c1 587638298 FMVXTFVJBMFYPC-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CC1CCCC1 587860150 MWXRUBHLFWZLME-UHFFFAOYSA-N 339.266 5.446 0 1 EKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC(=O)[C@@H](CCC(=O)O)[C@@]3(C)CC[C@H]12 621430875 DFTCDNAUEJSOJZ-QKSOIWCDSA-N 334.500 5.079 0 1 EKAF CC(C)Cc1cc(NCc2ccccc2)c(-c2ccccc2)c(O)n1 653811107 LAOFVCUJPGNWHY-UHFFFAOYSA-N 332.447 5.265 0 1 EKAF CC(=O)O[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 2356654925 QFTDFAVFSULANQ-QOLKULSZSA-N 336.516 5.120 0 1 EKAF CC(=CCCc1ccoc1)CCCC(C)=CCC[C@H](C)CC(=O)O 2356719533 ANXQFMAOWXOXSP-IBGZPJMESA-N 332.484 6.166 0 1 EKAF CCCc1nc2c3ccccc3ccn2c1Cc1cccc(Cl)c1 72136769 SIYULYHGDANINA-UHFFFAOYSA-N 334.850 5.684 0 3 EKAF CC(C)[C@@H]1CC[C@@H](C)C(=CC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 4266482 CDLMGTMYJCSWTE-TVFCKZIOSA-N 330.512 5.382 0 1 EKAF biogenic CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1CC(CCC(=O)OC)=NO1 26577820 OJUVJWPHOQQVCX-JEBKRXLXSA-N 345.483 5.280 0 1 EKAF C[C@H](COC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 45496919 LSRHGFSUNGGTCH-LLVKDONJSA-N 340.275 5.511 0 1 EKAF CCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccc1)CO3 49803759 ITFKGURWLJQWPN-UHFFFAOYSA-N 342.442 5.167 0 1 EKAF CCOC(=O)c1cc(-c2ccccc2)nc2ccc3c(ccn3CC)c12 96286009 PYLPOLKFNUFZTJ-UHFFFAOYSA-N 344.414 5.053 0 1 EKAF Cc1ccc(C(O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 100834280 PPFYUSNKVHPQHA-KOUNCHBCSA-N 335.491 5.035 0 1 EKAF Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 103229219 NRRZWTUERXZRMH-UHFFFAOYSA-N 334.366 5.881 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C1CC1)CCC4)-c1ccccc1C2=O 587101400 SRMWNAXBEDSNOQ-OAHLLOKOSA-N 339.438 5.585 0 1 EKAF Cc1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587157725 BRMAMJOGMMMZEW-UHFFFAOYSA-N 342.377 5.016 0 1 EKAF Cc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)o1 587206761 MRAYJOGNDRYNGS-UHFFFAOYSA-N 325.367 5.323 0 1 EKAF Cc1c(CSc2ccc(Cl)cc2)nc2cccc3c2c1CC3 587216803 NCMROTDYPDOTBA-UHFFFAOYSA-N 325.864 5.588 0 1 EKAF Cc1onc(-c2ccccc2Cl)c1C(=O)c1coc2ccccc12 587281001 NNMJFJBARPFRNL-UHFFFAOYSA-N 337.762 5.281 0 1 EKAF COCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361903 AKOBJOCMKAPTTG-UHFFFAOYSA-N 347.414 5.236 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)o1 587629772 HAJSFUWEKUKGRS-UHFFFAOYSA-N 345.679 5.112 0 1 EKAF CCCCC/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821234 UABBBZKPRZUKEH-DCIWPNQLSA-N 340.280 5.300 0 1 EKAF Cc1ccc(C)c(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587959726 SZPYCTWBCTYBDO-UHFFFAOYSA-N 344.483 5.922 0 1 EKAF CC1=C(C[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)C(C)(C)CCC1 963118878 XVWCULCITWRUOR-RXVVDRJESA-N 327.487 5.804 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](C)[C@@]12C 2356495263 LNFUVCZSCYWOTA-IALDWUNLSA-N 344.451 5.167 0 1 EKAF CCC(C(=O)Oc1cc(C)cc(C)c1C)(C(F)(F)F)C(F)(F)F 3189091 ZNRHZHPKPBUTAW-UHFFFAOYSA-N 342.279 5.038 0 1 EKAF biogenic CCCCCC[C@@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 5973117 MWDHHFCRLCUIMN-QGZVFWFLSA-N 326.868 5.206 0 1 EKAF NC1=NC(c2ccc(Cl)cc2)=C[C@@H](c2cccc(Cl)c2)S1 6534910 YESVGXMPKWCTKG-HNNXBMFYSA-N 335.259 5.137 0 1 EKAF C1=C(c2ccccc2)C[C@H](CN2CC=C(c3cccs3)CC2)CC1 13738842 RDVUGHRYXIWMDD-GOSISDBHSA-N 335.516 5.721 0 1 EKAF COc1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1 40899869 BQFCPKQIZWNGNC-UHFFFAOYSA-N 326.827 5.480 0 1 EKAF c1ccc2c(Oc3cc(NCC4CCCCC4)ncn3)cccc2c1 82067786 SJIFCHUKHATAKW-UHFFFAOYSA-N 333.435 5.414 0 1 EKAF CC[C@@H](C/C=C/CCC(=O)O)CCCCCC[C@@H]1C=C(CO)CC1 85489298 OQUAFGNAFAEBEL-UZCSHQTLSA-N 336.516 5.493 0 1 EKAF biogenic,in-vitro Oc1cccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2C3)c1 473249027 RVGLATTWEIBXBE-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CCCCC1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 586892769 WFFLFJLGNOJLBW-UHFFFAOYSA-N 336.382 5.348 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586963454 OBXCIGDFQLLHAK-VIFPVBQESA-N 338.810 5.489 0 1 EKAF Cc1cccc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099139 BIZQZMWSLHPSDI-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4C1CC1)-c1ccccc1C2=O 587100493 LIQBVQHDHPJJBA-OAHLLOKOSA-N 339.438 5.585 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)c(F)c1)O2 587387054 ZNSRSWNGJKGFGW-NRFANRHFSA-N 347.389 5.090 0 1 EKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520458 BYCLZWGSANFGRM-OAQYLSRUSA-N 336.431 5.061 0 1 EKAF CC[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522003 DZJJJXDMWMAUNO-GAJHUEQPSA-N 332.443 5.008 0 1 EKAF CCCC[C@H](O)[C@@]1(CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587530863 VZAUARMAYSKRAM-RBBKRZOGSA-N 344.495 5.011 0 1 EKAF CC(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1 587633384 BYYHIZIPWMGKNO-UHFFFAOYSA-N 349.327 5.680 0 1 EKAF Cc1cc2c(cc1F)[C@@]1(CCC[C@H](c3c(C)cccc3C)C1)NCC2 962091117 JGRCCNMAFYISHK-CVDCTZTESA-N 337.482 5.450 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2C12CCC(OC1CCCC1)CC2 963258597 PBNJBFXSCFYLOR-RHKCVOJBSA-N 341.539 5.440 0 1 EKAF FC1(F)CCN(Cc2ccc(Cl)cc2)C[C@H]1CCc1ccccc1 1772602288 TZCSJNWLXXTEAC-GOSISDBHSA-N 349.852 5.430 0 1 EKAF CC(=O)O[C@@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)OC2(C)C 2356555003 FPHDVZHOKLNUJI-KCZVDYSFSA-N 348.527 5.739 0 1 EKAF COC1=CC(=O)O[C@H](CCC=CC=C[C@H](C)C=CC(C)=CCl)C1 2356790152 FFQPDMLQLMDNCB-DOTOQJQBSA-N 336.859 5.060 0 1 EKAF O=C(/C=C/c1cc(Cl)ccc1Cl)NCCCCc1ccccc1 13799976 JQXFFCNMKLAXDC-FMIVXFBMSA-N 348.273 5.146 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@]2(C)C1 14410338 VCHOJBNJCIADHY-VMBXEPDQSA-N 330.512 5.683 0 1 EKAF Oc1c(Cc2ccc(OCc3ccccc3)cc2)ccc2ccccc12 27206680 RFCUBSKNIQBDQL-UHFFFAOYSA-N 340.422 5.715 0 1 EKAF C[C@]1(CC(F)F)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640407 UOSXMUVQMSJAOK-XZWBYJIQSA-N 340.454 5.675 0 1 EKAF O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)OCc1ccccc1 40393614 YGJOHEYZLNNVOG-UHFFFAOYSA-N 344.370 5.244 0 1 EKAF O=C(Nc1nccs1)[C@H](CC1CCCC1)c1cccc(Cl)c1 49088266 LTNVPMFMCXWTTF-OAHLLOKOSA-N 334.872 5.099 0 1 EKAF CSc1nc2cc(Cl)c(Oc3cccc4ccccc34)cc2[nH]1 53276653 BRUDBEAFYXLNQE-UHFFFAOYSA-N 340.835 5.884 0 1 EKAF COc1ccc(Nc2cc(-c3ccc4ccccc4c3)oc(=O)c2)cc1 71318966 IBQGGQLEJJVDRI-UHFFFAOYSA-N 343.382 5.212 0 1 EKAF Cc1c(C)n(C[C@@H](O)CSc2ccccc2Cl)c2ccccc12 84688133 WNWXAQQYEPAISZ-OAHLLOKOSA-N 345.895 5.065 0 1 EKAF Clc1ccccc1[C@@H]1Oc2ccccc2-c2cc(-c3ccco3)nn21 95552703 NTBLOZXJQWKKIA-FQEVSTJZSA-N 348.789 5.403 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccon1 118922544 ZHAAOWWJHBCHFK-UMWWKMARSA-N 341.495 5.082 0 1 EKAF CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N=N1 118930182 XFRVTPWXXZOYFP-WDCLZLQXSA-N 328.500 5.108 0 1 EKAF CC(C)(C)C1=NN(c2ccccc2Cl)[C@@H](c2ccc(O)cc2)C1 299828254 IRFBIJLFQWITKQ-QGZVFWFLSA-N 328.843 5.399 0 1 EKAF O=c1cc(/C=C/c2ccoc2)occ1Oc1ccc(Cl)cc1Cl 473112950 GSAXUPOCAIPFKJ-HNQUOIGGSA-N 349.169 5.502 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)o1 587016440 LMRMKBMPCZEWLY-UHFFFAOYSA-N 335.432 5.134 0 1 EKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 587070192 QKVOQYKYEWCNEU-GFCCVEGCSA-N 349.821 5.141 0 1 EKAF Cc1onc(-c2ccccc2)c1C(=O)c1coc2ccc(Cl)cc12 587275939 IBXSUTBJZQERHX-UHFFFAOYSA-N 337.762 5.281 0 1 EKAF CC(C)[C@H](C(=O)c1coc2ccc(Cl)cc12)c1ccc(Cl)cc1 587278436 NAYHSDIKLRPVTD-SFHVURJKSA-N 347.241 6.362 0 1 EKAF CCCCCC[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523452 IZKMWUIGQQEDSY-JPYJTQIMSA-N 340.507 6.040 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1C 587627223 PYUAISSBSSFKNM-UHFFFAOYSA-N 326.827 5.307 0 1 EKAF FC1(F)CCN(Cc2ccc(Cl)cc2)C[C@@H]1CCc1ccccc1 1772602289 TZCSJNWLXXTEAC-SFHVURJKSA-N 349.852 5.430 0 1 EKAF Cc1ccc(-c2nc(-c3oc(-c4ccccc4)nc3C)cs2)cc1 1772602349 ZVGPKMQRBDNEQA-UHFFFAOYSA-N 332.428 5.749 0 1 EKAF COc1ccc(-c2oc3cc(OC)ccc3c2-c2ccc(F)cc2)cc1 1857746406 UOQYADIHOAWMEA-UHFFFAOYSA-N 348.373 5.923 0 1 EKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C 26382496 FOQPVSQLQDGLCS-DLBZAZTESA-N 332.459 5.685 0 1 EKAF COc1cc(-c2coc3ccc4ccccc4c23)cc(OC)c1OC 28570692 BFCCHIXOZBHHAD-UHFFFAOYSA-N 334.371 5.279 0 1 EKAF FC(F)(F)c1cc(-c2nc3ccccc3o2)cc(C(F)(F)F)c1 28964534 ZMOKBCBOFJKYGK-UHFFFAOYSA-N 331.215 5.532 0 1 EKAF O=C(CCCN1CCC[C@@H](/C=C\c2ccccc2)C1)c1ccccc1 29310474 UECMBYLQGRGHDV-QZJMSCLXSA-N 333.475 5.075 0 1 EKAF Cn1c(-c2ccccc2)c(-c2ccc(C(=O)O)cc2)c2ccccc21 29395709 YPYAUCOUDSKTFM-UHFFFAOYSA-N 327.383 5.211 0 1 EKAF CC[C@H](C)[C@H](c1ccc(O)cc1)[C@H](c1ccc(O)cc1)[C@H](C)CC 29406215 XFKQQYMPYXGQEK-WGKKAQPQSA-N 326.480 6.057 0 1 EKAF CC(/C=C/C=C(\C)COc1c(Cl)cc(F)cc1Cl)=C\C(=O)O 29558148 UBCGCKRYURMSNY-JYVCFQOWSA-N 345.197 5.045 0 1 EKAF CCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21 34512284 SKDUHKSZHNFWML-UHFFFAOYSA-N 343.426 5.444 0 1 EKAF C[C@H](CC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 43075733 FLABEIHNLMJFOH-DKLXNKCPSA-N 340.470 5.665 0 1 EKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 66076536 SEALXJWGMGRUCX-GFJXEVPCSA-N 328.496 5.114 0 1 EKAF Clc1ccc(Cl)c(CSc2ccc(-c3ccccn3)nn2)c1 72123372 JWRRUOFRPHVEHM-UHFFFAOYSA-N 348.258 5.138 0 1 EKAF Cc1ccc(Cl)cc1-c1nsc(-c2cc(Cl)ccc2C)n1 82158266 DBTFSKDRLSUDSV-UHFFFAOYSA-N 335.259 5.796 0 1 EKAF CCCc1cc(C(CC)(CC)c2ccc(O)c(CCC)c2)ccc1O 96923028 RLOFJEMYTQIVRZ-UHFFFAOYSA-N 340.507 6.109 0 1 EKAF CC(C)(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccccc1 200627844 BQDAEKYDFZOREL-HSZRJFAPSA-N 347.502 5.564 0 1 EKAF Cc1ccc2c3c(cc([C@@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 587099694 SLPOTUKMSCGKPU-INIZCTEOSA-N 349.433 5.906 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C(C)(C)C[C@H]4C)-c1ccccc1C2=O 587100435 KAYKMHXYVJNIAA-CYBMUJFWSA-N 327.427 5.539 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc3ccccc3c1Cl)O2 587414446 MHQJSSOEHACBRZ-AWEZNQCLSA-N 343.835 5.152 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(C)C)[C@@H](C)C1)CC2=O 587483641 RGVKPPFRPWVBBF-GXZWQRSESA-N 330.468 5.141 0 1 EKAF CC(C)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521923 GRYRDOLUSFVFBG-DEOSSOPVSA-N 348.486 5.558 0 1 EKAF CCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533972 ZZXBCXSKQGYIRA-HXUWFJFHSA-N 326.461 5.070 0 1 EKAF CCc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1Cl 587628338 KWZIDHFOHMHZQT-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(C)C)c(C(=O)Nc3ccccc3)c2c1 587642238 JXFJFRQSGAJDEQ-HNNXBMFYSA-N 334.463 6.057 0 1 EKAF CCCCCC1=C(C)CC[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963105500 MQHXCKPTIVIVOR-GCJKJVERSA-N 327.487 5.732 0 1 EKAF C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)NCCc2ccc(O)cc21 963339667 AEVPXCVYAJMPRL-JOCHJYFZSA-N 349.861 5.122 0 1 EKAF CCn1ccc2c3c(=O)cc(-c4ccc5ccccc5c4)[nH]c3ccc21 1857632848 NUZBMMYEAZIPJO-UHFFFAOYSA-N 338.410 5.323 0 1 EKAF C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 1857748828 KIVJVYXAPITPDH-CQSZACIVSA-N 331.444 5.531 0 1 EKAF CCCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C[C@@H](CC)C(=O)OC 2356617609 KIEJHZAXYSCVRF-UWHLTILDSA-N 340.592 7.015 0 1 EKAF COc1cc(Br)c(O)cc1CC=C(C)CCC=C(C)C 2356792837 GWFFCYLTAWSMMI-UHFFFAOYSA-N 339.273 5.399 0 1 EKAF CCCC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C 13742208 WTBOTICKNNTRPN-UHFFFAOYSA-N 334.419 5.278 0 1 EKAF CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccccc1O 13860559 JSJLLHPAMPKWIX-OAHLLOKOSA-N 341.495 5.707 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26498312 FKNZCFYWNHCQGE-IRWGRGGESA-N 349.518 5.687 0 1 EKAF Clc1ccc2oc(N[C@@H](Cc3ccccc3)c3ccccc3)nc2c1 28008660 APXJQCOCLFLQST-SFHVURJKSA-N 348.833 5.877 0 1 EKAF Fc1cccc(C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)c1 43946851 HDIKIRVIOXMCKS-UHFFFAOYSA-N 342.335 6.347 0 1 EKAF Clc1ccc(-c2cc(-c3ccoc3)cc(-c3cccnc3)n2)s1 45389227 BETWNYRBWNIWPW-UHFFFAOYSA-N 338.819 5.786 0 1 EKAF CCCN(CCC)CCCCCOc1ccc(CN(CC)CC)cc1 49046955 OWOMDRQZDXTUDA-UHFFFAOYSA-N 348.575 5.200 0 1 EKAF O=C1Cc2ccccc2Cc2ccc(Nc3ccc(F)cc3F)cc21 49113683 RVVACDWBULWLSU-UHFFFAOYSA-N 335.353 5.038 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(O[C@H](C)CC)cc2)n1 72180551 LKRQCCIJSZLURV-IAGOWNOFSA-N 344.499 5.577 0 1 EKAF C[C@@H](CN1CC[C@H]2c3ccccc3C[C@@H]1C2(C)C)OCc1ccccc1 84758638 ILVITZMPXQQPBD-OFAXGOBFSA-N 349.518 5.032 0 1 EKAF investigational COc1cc2c(cc1[C@H](C)N[C@@H](C)c1ccccc1)C=CC(C)(C)O2 96932067 WUOFAOLDOMTPHF-HOTGVXAUSA-N 337.463 5.291 0 1 EKAF CC1(C)C[C@H](N=O)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1 169724691 UYHDYCSRGQHTHC-AWEZNQCLSA-N 341.361 5.515 0 1 EKAF CC/C=C/C=C/C=C\C=C\CCCCCCCCOC(=O)CC(C)C 238785287 QVLFQVORFCICKZ-ZTBHUAFUSA-N 346.555 6.941 0 1 EKAF CCSc1cccc(N=c2[nH]c(-c3cccc(Cl)c3)cs2)c1 473086267 HGPSTVMCTORTPD-UHFFFAOYSA-N 346.908 5.741 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC)c(C)cc2[nH]1 587061200 CKCIOYFJSDZAHV-OAHLLOKOSA-N 330.815 5.063 0 1 EKAF Cc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1C 587076541 NEVFEYFJVMENJT-LJQANCHMSA-N 339.870 5.170 0 1 EKAF COc1ccc(NC(C)(C)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587200845 AJEOPBMTOVXRHJ-UHFFFAOYSA-N 337.467 5.216 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCC(C(C)(C)CC)CC1)CC2=O 587481387 LKDXGXDLQONRMK-UHFFFAOYSA-N 344.495 5.675 0 1 EKAF CC(C)C[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526851 UEHSARUTBHWVSJ-OPAMFIHVSA-N 326.480 5.506 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3Cl)c(C)c2c1 587642640 UEQKINZIAGNTBR-GFCCVEGCSA-N 346.301 6.887 0 1 EKAF c1ccc(CCNc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772577571 LNSUIXNIUOGBDT-UHFFFAOYSA-N 349.503 5.102 0 1 EKAF CC(=CCC=C(C)CCC[C@@H](C)CC(=O)O)CCCc1ccoc1 2356312787 KSTCDJCONINIIV-LJQANCHMSA-N 332.484 6.166 0 1 EKAF NC(=O)c1ccc(-c2c(-c3ccccc3)sc3ccccc23)cc1 36388700 PIQZEXKBJCRCJN-UHFFFAOYSA-N 329.424 5.334 0 3 EKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2)cc1 61921046 RVMWQRUDDDIXMU-UHFFFAOYSA-N 332.834 5.554 0 3 EKAF C[C@@H](CC(C)(C)C)Oc1cccc2ccc(N3CCCCC3)nc12 28383587 MOOYJBQTORITPK-INIZCTEOSA-N 326.484 5.429 0 1 EKAF Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1 28824785 ADHZHPOKTRHZGT-HACGYAERSA-N 347.384 5.071 0 1 EKAF COc1cccc(CCc2ccccc2NCc2ccccc2OC)c1 29134734 AHLGTKFUBIVLPN-UHFFFAOYSA-N 347.458 5.101 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)N(C)C 29554617 JPRDQCVSUKLKQD-JBXXMDPNSA-N 347.543 5.191 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCC=C(C)C)c1-3 45358411 MEYFDHQWLFGNTM-OAQYLSRUSA-N 347.502 5.564 0 1 EKAF O=C([C@@H]1C[C@H]1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 56836651 QZBYSJNCNQZJAB-ZJJNMPENSA-N 331.459 5.124 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@H]1CC[C@@H]3C1 72139479 VDRMZFYUZJCSMU-KGLIPLIRSA-N 341.376 6.229 0 1 EKAF Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)n2C)c1 72141516 ZWPSJECOTGKAKZ-UHFFFAOYSA-N 332.447 5.178 0 1 EKAF COc1cccc(-c2csc(-c3cccc(Cl)c3Cl)n2)c1 95562922 JYSZIGVTGRPFAL-UHFFFAOYSA-N 336.243 5.793 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3ccsc3)cccc21 144796907 VFKXVKMEXRVTPZ-QGZVFWFLSA-N 332.346 5.194 0 1 EKAF C/C(=C\Cl)C/C=C\C=C\C(=O)N[C@@H](C)/C=C/CC/C=C/Cl 200956036 VOWNHWSVEUWZQX-RWZASHGDSA-N 328.283 5.225 0 1 EKAF COC(=O)[C@@H](C)C1=CC=C(C)CC[C@H]2O[C@]2(C)CCC=C(C)CC1 253634347 RINNRXYTVAOICT-FBBABVLZSA-N 332.484 5.126 0 1 EKAF c1ccc(Cc2ncc(-c3nc4cc5ccccc5cc4[nH]3)s2)cc1 587022452 ZDLXXKPLGKAWFE-UHFFFAOYSA-N 341.439 5.430 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085654 ZGZMWYVFJPGTTL-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587160343 BIXXSLZUYNVHBD-RBUKOAKNSA-N 344.389 5.765 0 1 EKAF C[C@]1(c2ccc(Cl)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502165 CRGMMWCFLKKSLR-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF Cc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587524500 NVXBOLZVZDBZBE-HSZRJFAPSA-N 334.459 5.371 0 1 EKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(F)ccc12 587632626 MRDOLDYKBCBRDB-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2c1 587643635 HPKCBJDMDWDBMP-INIZCTEOSA-N 326.443 6.410 0 1 EKAF CCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818555 INEWGMDIYCSHJD-BZNIZROVSA-N 328.269 5.134 0 1 EKAF Cc1cc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2cc1C 587876607 RNOBDIMEUGTOFY-UHFFFAOYSA-N 337.379 5.011 0 1 EKAF CCCCC[C@]1(C(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962697798 IAIHRKUSZWPEKJ-UWJYYQICSA-N 349.559 5.621 0 1 EKAF Cc1ccc(Cl)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1F 963103903 OKFGXCOOZKYRLQ-IFXJQAMLSA-N 333.809 5.037 0 1 EKAF COc1cc2c(cc1O)C=C1[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]13C)O2 2356787585 BMXHGVBOLARWGS-QIJUGHKUSA-N 342.479 5.562 0 1 EKAF O=C(CCCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860571 JQEVPQYABGWLCL-UHFFFAOYSA-N 336.353 5.424 0 1 EKAF in-vivo CC(C)=CCOc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12 14618800 VZSKLDHXYLNZMO-UHFFFAOYSA-N 346.382 5.551 0 1 EKAF biogenic,in-vitro Cc1cccc(CNc2ncnc3ccc(-c4cccc(C)c4)cc23)c1 36380604 YGUOQIRGSKNYSO-UHFFFAOYSA-N 339.442 5.526 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)C1 299833680 VTWBWUXJZYSPKK-KRWDZBQOSA-N 328.843 5.399 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc3c(c2[nH]1)CCCC3 586896636 GGXXQVWFMVDGAL-UHFFFAOYSA-N 340.426 5.481 0 1 EKAF CCOCc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)o1 586902941 IJFNCTPIKHEEJX-UHFFFAOYSA-N 334.375 5.152 0 1 EKAF Clc1cc(Cl)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587085500 WTZVBPKSLODQPB-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1ccc2c3c(cc([C@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 587099695 SLPOTUKMSCGKPU-MRXNPFEDSA-N 349.433 5.906 0 1 EKAF Cc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1F 587145141 JDJYUNAXYHJLHP-UHFFFAOYSA-N 338.332 5.623 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C3CC3)c1)CC2=O 587479200 CAMZRKONFQJNKR-JOCHJYFZSA-N 336.431 5.103 0 1 EKAF Cc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499938 KGBKOMWRPGNTLI-IBGZPJMESA-N 326.823 5.234 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccccc3C(F)(F)F)c2c1 587642294 QWYBVYUGYKNOHQ-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CC1CCC1)c1ccccc1 963109524 UZIUSXXTZKVCDH-GMAHTHKFSA-N 335.466 5.280 0 1 EKAF COCCCCCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)N1 2356635157 UDFAQHMVTQZZRW-NJDAHSKKSA-N 341.580 5.206 0 1 EKAF c1csc(-c2cc(-c3cccs3)c(-c3ccsc3)s2)c1 1636193 ZXIVSJHHNZJIKP-UHFFFAOYSA-N 330.524 6.934 0 1 EKAF CC(C)(C)/C=C1\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681717 GJYCOULXILNZBK-JGCRUDHLSA-N 340.507 5.192 0 1 EKAF CCCSc1ccccc1C[C@H]1NCCc2c1[nH]c1ccccc21 28889421 YFRIVUKULQQDNN-LJQANCHMSA-N 336.504 5.100 0 1 EKAF COC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@]12C 82047538 BIPDREOVFWTNOY-DJYITIDSSA-N 348.527 5.168 0 1 EKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]c(=S)n1 103221257 WGOIQGOZXHVJMX-UHFFFAOYSA-N 349.242 5.486 0 1 EKAF CC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCC(=O)OC 136553845 XKZIJJIPQXQYBG-ARQYDCTJSA-N 346.555 7.085 0 1 EKAF C[C@@H](CCC(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 238763992 RMOANDLRKRTOAX-BPERIUBUSA-N 338.532 5.261 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 257413071 FCFUSYHGZLEMJM-CXLNWODHSA-N 346.511 5.123 0 1 EKAF endogenous,in-man Cc1nc2ccc(O)c3c2c(c1CC1CCCC1)-c1ccccc1C3=O 586991464 NDPQFOAZYIESQK-UHFFFAOYSA-N 343.426 5.193 0 1 EKAF Fc1cc(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(F)c1F 587138298 GFLCJUQXMQZSNG-UHFFFAOYSA-N 345.151 5.072 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(C)C)CC1)CC2=O 587478341 FRUUUOGTSHMCJJ-QVKFZJNVSA-N 330.468 5.285 0 1 EKAF CCOc1ccc(OCC)c(-c2nc3cc4ccccc4cc3[nH]2)c1 587778755 SJRKJRGKVNLDDY-UHFFFAOYSA-N 332.403 5.181 0 1 EKAF COc1cc(C2(c3nc4cc5ccccc5cc4[nH]3)CC2)ccc1C 587926394 GUAXQBKJOOHCNU-UHFFFAOYSA-N 328.415 5.113 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@@H]2c1ccc(C(C)(C)C)cc1 653835855 JYWIZAGZGTVNFE-OYHNWAKOSA-N 333.475 5.755 0 1 EKAF CC=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356311181 SKSOMRHTXHIGIB-KVAWTYEWSA-N 342.523 5.827 0 1 EKAF CC[C@H](C)CCCCCC=C[C@H](C)[C@H](O)CCCCCC(=O)O 2356488394 KUETZEFEIMFMOF-GBESFXJTSA-N 326.521 5.571 0 1 EKAF CCCCCC[C@H](O)CC=CCCCCCCCC(=O)OCCC 2356751070 SFPNSCZLRJDTGT-FQEVSTJZSA-N 340.548 5.948 0 1 EKAF CCCCCC=CCC=CCC=CCC=CCCCC=CC(=O)O 2356820700 FNNBUXCDSMUGNX-UHFFFAOYSA-N 330.512 6.773 0 1 EKAF c1ccc2c(c1)CCc1ccccc1N2CCCCCCN1CCCC1 26656217 GDNZCVAWWHYLMD-UHFFFAOYSA-N 348.534 5.580 0 1 EKAF S=c1cc(-c2ccc(OCCN3CCCCC3)cc2)ss1 53243591 JNDIPRUEFOVVMH-UHFFFAOYSA-N 337.535 5.071 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1 587015488 FOSAOVRHLDCVHW-UHFFFAOYSA-N 341.386 5.194 0 1 EKAF Fc1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1Cl 587098152 RRJYHAOPNUTBIS-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF Cc1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587162466 BMHTUSXZZNDZAZ-FOWTUZBSSA-N 334.419 5.661 0 1 EKAF Cc1ccc([C@@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531627 HHMQQKZOCKYINJ-QFIPXVFZSA-N 336.431 5.128 0 1 EKAF COc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)ccc1O 1857601951 XRWLAODNIMTCMO-UHFFFAOYSA-N 348.427 5.186 0 1 EKAF CC=Cc1ccc(O[C@H](C)[C@H](C)c2ccc(O)c(OC)c2)c(C)c1 2356504075 DGSFXPJUZQZPMR-JKSUJKDBSA-N 326.436 5.313 0 1 EKAF Oc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 447067 GBAUSGFNQZAZEH-UHFFFAOYSA-N 337.231 5.566 0 1 EKAF CC[C@@H](/C=C/c1ccc(OC)c(OC)c1OC)c1cccc(F)c1 28567327 JKRJLLPQEVYALX-HBWSCVEGSA-N 330.399 5.059 0 1 EKAF Cc1ccc(O)cc1Nc1ccnc2cc(-c3ccncc3)ccc12 45227376 CCUJJEPHMXMHHJ-UHFFFAOYSA-N 327.387 5.054 0 1 EKAF CCCSc1nc2nc3c(c(N)c2s1)[C@H]1CC(CC)=C[C@@H](C3)C1 45300052 WFTCUZBQYUOPNQ-NEPJUHHUSA-N 345.537 5.162 0 1 EKAF C[n+]1cccc2c1c1ccccc1n2CCCCCC1CCCCC1 71295898 XVEZNWBBNPHUFJ-UHFFFAOYSA-N 335.515 5.760 0 1 EKAF Cc1ccccc1-c1nc(CN(C)Cc2cccc3ccccc23)co1 72101604 XCZXJUNCJUTFKS-UHFFFAOYSA-N 342.442 5.435 0 1 EKAF C[n+]1c(/C=C/c2ccc(-c3ccccc3)s2)ccc2ccccc21 73275698 UYWJEHDIVMRQEI-BUHFOSPRSA-N 328.460 5.563 0 1 EKAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@@]23CCN1CC1CCCCC1 100895438 GBFHSQJNPGVNMH-YTFSRNRJSA-N 339.523 5.031 0 1 EKAF O=C(Nc1cc2ccc(Oc3cccc(Cl)c3)cc2cn1)C1CC1 169699983 UQXHIHSYTCZFLA-UHFFFAOYSA-N 338.794 5.029 0 1 EKAF CC(=O)O[C@H]1CC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]2C1(C)C 196316462 CGCMREBLRQFVLX-RZUBCFFCSA-N 328.496 5.382 0 1 EKAF Oc1ccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccccc2C3)cc1 473247930 JSGRDRPBNIIYMU-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Clc1ccc2c(c1)C[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)O2 587080759 PGWGWAOEPAEETP-CQSZACIVSA-N 339.609 5.199 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(Cl)c1)CC2=O 587459418 DDLWBFSQLOIOKC-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C)c1ccccc1)CC2=O 587491269 VLGVQMBRHVQTPG-IVZQSRNASA-N 338.447 5.262 0 1 EKAF O=C1C[C@@]2(CCC[C@H](C(F)F)CC2)Oc2c1ccc1c2CCCC1 587505424 KSQSJDGDPOPWGV-XOBRGWDASA-N 334.406 5.115 0 1 EKAF Cc1ccc(C)c(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587958469 DVPWGOXXIJNWKL-UHFFFAOYSA-N 336.382 5.382 0 1 EKAF CCCC/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587964741 BWSLIHCIHGLFAA-AATRIKPKSA-N 347.178 5.548 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@H]([C@H]1CCCCc3ccccc31)NCC2 963113185 VOMABHKDAMLUBB-FXAWDEMLSA-N 346.301 5.690 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1ccc2c(c1)CCO2 1772581064 GNBKUHSWWFZZOW-NSCUHMNNSA-N 348.273 5.074 0 1 EKAF Cc1ccc(Nc2ccc3c(c2)[C@H](CC2CCCCC2)C(=O)N3)cc1 1857539557 YJMKZVPIRHWEFJ-FQEVSTJZSA-N 334.463 5.745 0 1 EKAF CC(=CCCc1ccoc1)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 2356621216 SFDYMPBPKHWFDV-GHTZIAJQSA-N 330.468 5.552 0 1 EKAF CC[C@H](OC(=O)c1ccccc1)C(C)(C)C=C[C@H]1CC=C(C)C1(C)C 2356873269 YFVLNVDXVHNQCT-UXHICEINSA-N 340.507 6.197 0 1 EKAF COc1ccc2c(c1)[C@@H](CCCCN1CCCC(C)(C)C1)CCC2 13781288 GEKGBTFUHITOQD-SFHVURJKSA-N 329.528 5.407 0 1 EKAF CCCCCCc1cccc(CCCCCCC(=O)C(F)(F)F)c1 26658219 ATHGZYJBADXKNN-UHFFFAOYSA-N 342.445 6.434 0 1 EKAF COc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 28017185 BXKSETGKBADRAP-DTQAZKPQSA-N 329.399 5.014 0 1 EKAF CC[C@@H](Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1 28956263 WREQFRHVBVFFIS-GOSISDBHSA-N 348.450 5.152 0 1 EKAF O=C(O)c1ccc(-c2ccc(-c3cc4cc(Cl)ccc4o3)[nH]2)s1 29416819 HEBXIKOXIUVNLS-UHFFFAOYSA-N 343.791 5.508 0 1 EKAF O=C(/C=C/c1ccc(Cl)cc1)CC(=O)/C=C/c1ccc(Cl)cc1 38986159 HJZOEOUSHXYPBS-YDWXAUTNSA-N 345.225 5.248 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Nc3ccccc3)cc21 143327958 QKSXUQCWYMQCOU-LJQANCHMSA-N 341.332 5.209 0 1 EKAF C(=C/c1cncnc1-c1cccs1)\c1ccc(-c2ccccc2)cc1 169328331 NZSKSUXYPVHLKR-JLHYYAGUSA-N 340.451 6.043 0 1 EKAF CCC/C=C\C/C=C/CCCCCCCCCc1ccc(C=O)[nH]1 209607361 NRDUSLDTXLXXNM-KXKKYDSASA-N 329.528 6.793 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC[C@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238733045 QPIUBKNTZMBLLI-XTQNLXQJSA-N 348.527 5.044 0 1 EKAF CCCCC/C=C\C[C@@H](O)/C=C/C=C/C/C=C/C/C=C/CCC(=O)O 238771398 QLXUWTYTRCCZFU-CAYVBFPLSA-N 346.511 5.744 0 1 EKAF CCc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1CC 586879291 NQKNGSWDOVKLPF-UHFFFAOYSA-N 334.341 5.253 0 1 EKAF Cc1nc2cccc3c2c(c1Cc1ccc(C(F)(F)F)cc1)CC3 587210888 YIKIEYIIFIZGJT-UHFFFAOYSA-N 327.349 5.251 0 1 EKAF CC/C=C/Cc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367804 WQKDUBUSHAYEIA-SNAWJCMRSA-N 343.426 6.165 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(C(F)(F)F)cc3)c2c1 587642476 NWWJZGLULQUCPF-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF CCCC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813719 PKIULYCEALXZJJ-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCCCC2)N1 587821518 VGLCIQRYBZUSBE-ZBEGNZNMSA-N 340.280 5.134 0 1 EKAF Clc1cnc(Cl)c2[nH]c(/C=C\c3cccc4ccccc34)nc12 587966280 AVOBMVQFMDFSRS-HJWRWDBZSA-N 340.213 5.588 0 1 EKAF CCn1ccc2c3c(=O)cc(-c4ccc5c(c4)CCCC5)[nH]c3ccc21 1857748339 WXWXLMOQPZLWEK-UHFFFAOYSA-N 342.442 5.049 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC[C@]45C[C@@]4(C)CCC[C@H]35)C2)O1 2356756871 XVSVCWJDKBTGFP-NWLGIYFCSA-N 346.555 5.941 0 1 EKAF CC(C)=CCC[C@]1(Sc2ccccc2)C(=O)OC[C@@H]1C=C(C)C 1862098 PHICXSXVRZDAIF-FXAWDEMLSA-N 330.493 5.403 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]12 13302254 VVMIBRAYCQENEA-FKBYEOEOSA-N 342.479 5.024 0 1 EKAF biogenic Fc1ccc([C@@H](Oc2cccc3ccccc23)[C@@H]2CCCNC2)cc1 13530787 IPDCCVKJMHCEER-XMSQKQJNSA-N 335.422 5.099 0 1 EKAF CNCC[C@@H](Oc1cccc2ccccc12)c1ccc(Cl)cc1 13588070 IDWDPGNSPWMIDM-LJQANCHMSA-N 325.839 5.223 0 1 EKAF CC(/C=C/CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)O 36241990 MUAWNZBLKUQMAM-HMSDUJDUSA-N 343.511 5.305 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1ccccc1OC 71294615 YDXXBJOBZMLODM-HSZRJFAPSA-N 348.490 5.096 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2O1 72135096 XOTZRPRCGXHFHS-MSOLQXFVSA-N 338.838 5.506 0 1 EKAF Clc1ccccc1-c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)co1 72180628 XVZJUGJINNLDBY-HUUCEWRRSA-N 330.859 5.007 0 1 EKAF c1ccc(OCCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753930 NEAVYIKGAQRZEX-VGOFRKELSA-N 346.474 5.089 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@H]4CC[C@H](C[C@H]3c3ccccc3)S4)on2)cc1 195351240 GGNBFDVFZAGDEV-GMQQQROESA-N 347.483 5.877 0 1 EKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 587069408 KALYMBGQPBUXID-JTQLQIEISA-N 333.218 5.246 0 1 EKAF Cc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587114353 SJRWVXKFJNTRCX-LBPRGKRZSA-N 332.369 5.545 0 1 EKAF O=C1C[C@@H](c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587503391 GTLSOSNSRSZWGB-SFHVURJKSA-N 330.786 5.064 0 1 EKAF CSc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531058 FHCNXFUQRNMVGC-NRFANRHFSA-N 338.472 5.168 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccnc3)c2c1 587640648 HRUUDJDKBPTELN-LLVKDONJSA-N 346.352 5.326 0 1 EKAF Cc1ccc(-c2csc(-c3c(Cl)cccc3Cl)n2)cc1C 587920147 BGKFWZDZPFLYRB-UHFFFAOYSA-N 334.271 6.401 0 1 EKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587967866 UIAPKCSQBODUGY-PSASIEDQSA-N 325.637 5.049 0 1 EKAF CC(C)(C)c1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587970186 ZOCNITSVRCSTSS-CCEZHUSRSA-N 326.443 6.184 0 1 EKAF COc1ccc(-c2nc3ccccc3n2-c2cc(C)ccc2C)cc1 1772613385 PUUQYZZBBUNKKJ-UHFFFAOYSA-N 328.415 5.318 0 1 EKAF CC(=O)OCC[C@@H](C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356536427 VBKYATCSYDLRJR-NRFANRHFSA-N 334.544 6.775 0 1 EKAF CC1(C)[C@H]2CC[C@@H]3n4c(cc5ccccc54)C[C@@]3(C)[C@]2(C)CC[C@H]1O 2356543343 LXDQTTNJDBZTFG-QGAVKGNSSA-N 337.507 5.342 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(O)cc(C)cc2O1 2356738485 IZABSJRYMPZMIH-QFIPXVFZSA-N 328.496 6.257 0 1 EKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c1 72136428 HTRRCYDRNKMZEQ-UHFFFAOYSA-N 338.882 6.086 0 3 EKAF Clc1ccc2c(c1)/C(=C1\N=NNN1c1ccc3ccccc3c1)C=N2 104027141 QFEDUWNUHDLLGB-HTXNQAPBSA-N 345.793 5.270 0 3 EKAF COc1cccc2ccc(-c3ccc(O)c4c(OC)cccc34)c(O)c12 13377013 ZEAFEAWABQVDLG-UHFFFAOYSA-N 346.382 5.088 0 1 EKAF biogenic CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O 13434906 VXESUOYBWMDWCJ-AWEZNQCLSA-N 346.467 5.050 0 1 EKAF endogenous,in-man CCc1cc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc2nc1C 13613112 BGUWZDWGJOBYAF-UHFFFAOYSA-N 333.475 5.505 0 1 EKAF CCCC[P@](=O)(OCC)OCc1ccccc1Oc1ccccc1 28643919 ZJDHCXPMUVBUIV-DEOSSOPVSA-N 348.379 6.025 0 1 EKAF C[C@H](NCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72141012 QRIWCNROCPSQGA-INIZCTEOSA-N 328.415 5.346 0 1 EKAF S=C(Nc1ccccc1)N1N=C2CCCC[C@H]2[C@H]1c1cccs1 139898400 VQWKGIHKMXIZQJ-PBHICJAKSA-N 341.505 5.048 0 1 EKAF COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1 169352388 JUHJTTYKTBJFHZ-UHFFFAOYSA-N 348.471 5.425 0 1 EKAF c1ccc2c(OCCOc3ccc(-n4cccc4)cc3)cccc2c1 473136509 SAIQJRQBFPVZDX-UHFFFAOYSA-N 329.399 5.088 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 586878802 ANJIZMAGTQYQQT-UHFFFAOYSA-N 344.256 5.075 0 1 EKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 586880359 XXAKHJFLNPUGHD-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586890976 QFTDNDXCVGQRGU-MGPLVRAMSA-N 337.261 5.016 0 1 EKAF Cc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587050586 PVYUAFCJHWWVIM-NEPJUHHUSA-N 331.246 5.758 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4CC(C)C)-c1ccccc1C2=O 587101797 WDSAWMSMDLNXPJ-OAHLLOKOSA-N 341.454 5.831 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2c1 587166107 MOTTYHNVELDJRI-UHFFFAOYSA-N 333.410 5.300 0 1 EKAF C[C@@H]1CC(C)(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206659 GEZCYYZMTSJUCR-CYBMUJFWSA-N 327.427 5.522 0 1 EKAF Cc1coc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207861 YAXYVVSSWKEBDM-UHFFFAOYSA-N 325.367 5.323 0 1 EKAF CCCCC/C=C/CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520696 AJKNCOICCGQPHC-DKFQHHCZSA-N 326.480 5.816 0 1 EKAF CC(C)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C 587526787 SERVZBLBKUIZHH-GIMINZRKSA-N 326.480 5.362 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2c(C)cc(Cl)cc12 587624999 YJDSDXYGZCRELS-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccccc1C(C)C 587627111 OCUABDCQCQQVPL-UHFFFAOYSA-N 340.854 5.814 0 1 EKAF CCC[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814832 VZJHTFYJYZIYOP-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF CC/C(=C\c1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 587968554 UOYAJFUKSWHMAZ-JLHYYAGUSA-N 341.252 5.584 0 1 EKAF CC[C@]1(c2ccc(C(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963111096 QZSXSEMNVVHPQU-GGAORHGYSA-N 337.482 5.623 0 1 EKAF O=C(O)c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 1772642421 LLWKVIQZPCOWGB-UHFFFAOYSA-N 325.367 5.267 0 1 EKAF CCCCC(=O)c1c(O)cc(O)cc1OC/C=C(\C)CCC=C(C)C 1857749365 HYAUDAXJDUZTIV-LFIBNONCSA-N 346.467 5.542 0 1 EKAF CCC=CCC=CC=C[C@@H](O)CC=CCC=CCC=CCCC(=O)O 2356345482 SEVOKGDVLLIUMT-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF CCCCCC=CCCCCCCc1cc(=O)c2ccccc2n1C 2356381940 GXRKDSSARDBYHW-UHFFFAOYSA-N 339.523 6.168 0 1 EKAF CC(=C[C@@H](O)CC(C)=CCCc1ccoc1)CC=Cc1ccoc1 2356508217 SIXUXMXDQFOIKA-OAQYLSRUSA-N 326.436 5.552 0 1 EKAF Clc1ccc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c1 2570193 ZCTNDJSCLPJCRA-UHFFFAOYSA-N 340.420 6.853 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCc1ccc2c(c1)OCO2 14591344 OKVJARRIMBJYOS-GOSISDBHSA-N 334.500 5.630 0 1 EKAF biogenic CSc1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 27330488 HUHDCGBRWLGVOF-UHFFFAOYSA-N 326.387 5.112 0 1 EKAF Cc1ccc2ccccc2c1[C@H](CC1CCCCC1)P(=O)(O)O 29482315 KULGIRHRQYXLAN-SFHVURJKSA-N 332.380 5.337 0 1 EKAF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@@H]1c1ccc(OC)cc1 100957371 NTWDBJJVUXQRGH-SELCWUDQSA-N 341.432 5.051 0 1 EKAF CN(C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCCCC1 103228212 ABPLFALWMRYFNA-ZPSAWSNLSA-N 331.503 5.548 0 1 EKAF C=C(O[C@H]1CC[C@@H]2[C@@H](O)c3occ(C)c3C[C@]2(C)[C@H]1C)/C(C)=C\C 238765924 CKHQIEOHUNQMAA-GTDHJENGSA-N 330.468 5.095 0 1 EKAF C[C@@H](N=O)[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261141622 NEBOMMQPPZFFBC-WLZOKDNGSA-N 329.484 5.001 0 1 EKAF Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587099249 DHOHARVNGCVQLS-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3ccccc13)CC2=O 587489172 NDNZPZPWSDBGTN-HSZRJFAPSA-N 346.426 5.379 0 1 EKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628893 TXSDYEDVZOQLHG-UHFFFAOYSA-N 336.237 6.578 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3F)c(C)c2c1 587642172 QBGFRNBSPUJBAI-LLVKDONJSA-N 349.371 6.815 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NC3CCCCCCC3)c2c1 587643144 RDISDFPKOWHCIK-OAHLLOKOSA-N 340.511 5.833 0 1 EKAF COc1cccc(C)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587785444 ATJNWPRRBQEVHK-UHFFFAOYSA-N 330.387 5.339 0 1 EKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)c(F)c3)no2)cc1 653767638 NZQKFVLYZJAOTH-UHFFFAOYSA-N 348.333 5.041 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CC[N@]2C[C@H]2C)c(C)c1 1857612562 DETKPDOOZBSGDJ-DYESRHJHSA-N 333.541 5.253 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CC[N@]2C[C@@H]2C)c(C)c1 1857612563 DETKPDOOZBSGDJ-LAUBAEHRSA-N 333.541 5.253 0 1 EKAF CO[C@@H]1CC=C(C)CCC=C(C)CC[C@@H]2[C@@H](C=C1C(=O)O)C2(C)C 2356418043 VWXXNOHWGGYBTR-GUDVDZBRSA-N 332.484 5.141 0 1 EKAF CCCC=CC1(C=C2C(=O)O[C@@H](CC)[C@H]2O)CCCCCCCC1 2356722589 LAVVTAFRFZNUBP-OALUTQOASA-N 334.500 5.086 0 1 EKAF COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C(C)(C)C 13745041 APXNUGHTPSKBAO-UHFFFAOYSA-N 334.415 5.511 0 1 EKAF C[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27722367 PZHXRKFDWHXRHM-ANUWBXLYSA-N 349.518 5.748 0 1 EKAF CCc1ncnc(N[C@@H](C)c2sc3ccccc3c2C)c1Cl 28887630 YPHINIOBFXDVIR-NSHDSACASA-N 331.872 5.389 0 1 EKAF c1ccc(CCCCNCC2c3ccccc3Cc3ccccc32)cc1 45357870 OUBNFHMJUXSZKL-UHFFFAOYSA-N 341.498 5.335 0 1 EKAF COc1cc2c(cc1Cl)C(c1ccc(Cl)c(Cl)c1)=NCC2 49054159 QLDFAHVPALXKAU-UHFFFAOYSA-N 340.637 5.049 0 1 EKAF CC(C)c1cccc(Nc2cc3[nH]c(-c4ccccc4)cc3cn2)c1 74373014 MNWATDHKFPLQMX-UHFFFAOYSA-N 327.431 6.097 0 1 EKAF Clc1ccc([C@@H](Nc2ccccn2)c2c[nH]c3ccccc23)cc1 95557818 NRLNNTWJUGEQAU-HXUWFJFHSA-N 333.822 5.418 0 1 EKAF C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271126 HZPQXOYUWASGPE-FYWRMAATSA-N 332.447 5.507 0 1 EKAF CC(C)(C)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 117765597 YDUYNWXYEKEJAP-GZUQHIBUSA-N 342.479 5.248 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)CCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141032033 MOAITADYVRMUCR-KOOWZWOLSA-N 349.518 5.687 0 1 EKAF c1ccc(Sc2ccc3[nH]c(-c4cc5c(s4)CCC5)nc3c2)cc1 587036425 AXDBKHDEXDLGPZ-UHFFFAOYSA-N 348.496 5.931 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(F)cc2[nH]1 587063022 ZPWGJGMPTZASMB-AWEZNQCLSA-N 339.197 5.539 0 1 EKAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(Cl)c2[nH]1 587066083 HNQCZOONOQLPIN-UHFFFAOYSA-N 335.234 5.190 0 1 EKAF Clc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587068964 GYPKTYUQBNVYGO-UHFFFAOYSA-N 334.806 5.462 0 1 EKAF Fc1cc(Cl)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587074391 WQINUHXPRFIYBN-UHFFFAOYSA-N 335.209 5.283 0 1 EKAF Cc1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1C 587166410 RUGHMVFYRRMANK-UHFFFAOYSA-N 333.410 5.300 0 1 EKAF Cc1c(-c2cccc(O)c2)nc2cccc3c2c1-c1ccccc1C3=O 587207727 WJLDKYUCUYYLFA-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF Oc1ccc2c(c1)-c1nc3cccc4c3c(c1C[C@H]2c1ccccc1)CC4 587215348 GNTRQYBUCDVMJT-FQEVSTJZSA-N 349.433 5.394 0 1 EKAF CCCCCC1(CCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587526891 XOHVGZPCVHTCBT-UHFFFAOYSA-N 342.523 6.430 0 1 EKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587630107 RTKNVYHQZFGFAF-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF COc1cccc(C)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587787224 LRWGDQGVIYLMAL-UHFFFAOYSA-N 346.455 5.698 0 1 EKAF CCc1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1 587931503 JXGMDRZKOCLUHC-UHFFFAOYSA-N 344.414 5.174 0 1 EKAF C/C(=C/c1nc2c(C)c(Br)cnc2[nH]1)C1CCCCC1 587968769 TVBOMCDQYSQLQJ-NTMALXAHSA-N 334.261 5.012 0 1 EKAF FC(F)(F)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587970162 ZCCRCOGJNGTEBJ-DHZHZOJOSA-N 338.332 5.905 0 1 EKAF Fc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)c1 1857766782 CVQAYEOLNDZKLH-UHFFFAOYSA-N 343.814 5.285 0 1 EKAF COC(=O)[C@@H]1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356584898 WRHCVRFRGNAASQ-XTKDNXAFSA-N 332.484 5.244 0 1 EKAF CCC=CC=COC=CC=CCC=CCC=CCCCC(=O)OC 2356737548 CDDYSXGCQRUBHG-UHFFFAOYSA-N 330.468 5.789 0 1 EKAF CC=C(C)[C@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C 2356787681 BPCJATNZUJNOJC-UWJYYQICSA-N 328.452 5.012 0 1 EKAF COc1cc(O)cc(CC=C(C)CCC=C(C)CCC=C(C)C)c1O 2356807682 YAAQLHDVTLNIEV-UHFFFAOYSA-N 344.495 6.068 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1OC 6671456 AMWXYQPXDDNMOO-UHFFFAOYSA-N 329.396 5.024 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O 15251938 HVLZHPCKWVKAQH-IRQOBONWSA-N 344.451 5.124 0 1 EKAF Clc1ccc([C@H]2N=C(NCc3ccccc3)Cc3ccccc32)cc1 26575635 KABGWRNUXZSHGR-JOCHJYFZSA-N 346.861 5.174 0 1 EKAF CC(C)Oc1cccc([C@@H]2C[C@@H]2c2ccc3cc(C(=N)N)ccc3c2)c1 28364878 AIYYJNSOLWDMRN-FCHUYYIVSA-N 344.458 5.182 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/CC/C(C)=C\C=C\1C(C)C 39333716 NQBWCMIADAARIG-QBUYPBGKSA-N 330.512 6.304 0 1 EKAF COc1ccc(-c2coc(-c3cccc(Oc4ccccc4)c3)n2)cc1 43018216 GKKBVHTZIQRFFK-UHFFFAOYSA-N 343.382 5.810 0 1 EKAF Cc1cccc(Nc2nc(-c3ccnc(-c4ccncc4)c3)cs2)c1 72113160 OHPUQKXESQBBDA-UHFFFAOYSA-N 344.443 5.319 0 1 EKAF CCCN(CC1CC1)c1cc(Oc2ccc3ccccc3c2)ncn1 82067704 CMGNXGBELPBKJR-UHFFFAOYSA-N 333.435 5.049 0 1 EKAF CC(=O)O[C@H](C/C(C)=C/CO)[C@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 96932994 PPSZYBDHULCWBH-GPBIDZIOSA-N 348.527 5.046 0 1 EKAF CCOC(=O)/C(F)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 169316908 UAHXCZNBZLZVHR-PKBUNJFLSA-N 346.486 6.378 0 1 EKAF Cc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1C 221096574 BUFBZQNYUFQNEX-SFHVURJKSA-N 337.444 5.034 0 1 EKAF Oc1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc2c1CCCC2 586898078 LBIKIPUECVZLQE-UHFFFAOYSA-N 333.218 5.121 0 1 EKAF Cc1c([C@@H](C)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587107918 XKAVKXYWWAAMOA-HNNXBMFYSA-N 349.433 5.906 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587133732 AVLVCWRYYKGOPR-ARJAWSKDSA-N 338.279 5.046 0 1 EKAF O=NCc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587191435 ZVVCSAUUPXAFHA-UHFFFAOYSA-N 345.427 5.648 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523412 IOPZGULIMLCOSQ-QOEFQVSFSA-N 326.480 5.362 0 1 EKAF CCCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531100 JPKKBUSTYTWQGT-OAQYLSRUSA-N 340.488 5.460 0 1 EKAF Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2cc(Cl)c(F)cc12 587630358 ZAVBAAUUGOCEGR-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C)c2c1 587639537 ZALVQPKQSDHVEO-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(F)c(Br)c2[nH]1 587967079 GUTFMNTYMLUYTM-PKNBQFBNSA-N 337.236 5.614 0 1 EKAF C=CC1=C(C)[C@@H]2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 2356532797 YHLITXUMLUPSSE-YWQQVWADSA-N 330.512 5.683 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[P@@](=O)(O)C(=O)O 1914867 SFEHHYFEEGGICV-QKXOVSGLSA-N 342.416 6.134 0 1 EKAF CC[C@@]1(c2cccc(Cl)c2)Cc2ccccc2-n2cccc2C1=O 13675369 BBHRXLPMHTVRTP-NRFANRHFSA-N 335.834 5.218 0 1 EKAF CCC(CC)Nc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C 14975042 UGYIEPKQPVBMND-UHFFFAOYSA-N 325.500 5.968 0 1 EKAF CC(C)(CCCOc1ccc(CCCc2ccccc2)cc1)C(=O)O 28223956 BIHYJVHQUQCQHQ-UHFFFAOYSA-N 340.463 5.132 0 1 EKAF c1ccc2c3c([nH]c2c1)CN(CCCCCCCc1ccncc1)CC3 34602033 FOMPIZYPMSVLBB-UHFFFAOYSA-N 347.506 5.114 0 1 EKAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1 95597287 DWPPVJZLZOPAAF-UHFFFAOYSA-N 345.398 5.031 0 1 EKAF N[C@H]1CCC[C@H](c2cc3c(-c4cccc(F)c4)c(Cl)cnc3[nH]2)C1 226064501 DKTNYYYSTIHWKL-FZMZJTMJSA-N 343.833 5.007 0 1 EKAF CC1=C(C)C(Cc2occ(C)c2COC(=O)/C=C\C(C)C)=CCC1 238731381 WVTBXBYPYMHVRA-KTKRTIGZSA-N 328.452 5.443 0 1 EKAF Cc1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586881981 ZDKIXOFIWZWJMI-UHFFFAOYSA-N 341.252 5.568 0 1 EKAF Cc1ccc2c(ccc3nc(-c4csc5ccc(O)cc45)[nH]c32)n1 587031868 BLGCLBIQHRYIFP-UHFFFAOYSA-N 331.400 5.007 0 1 EKAF Cc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1F 587069901 LYZGKVIIMUVKRO-LLVKDONJSA-N 330.790 5.040 0 1 EKAF Fc1cc(F)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084019 RECMETNJOBQUFZ-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Cc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1Cl 587097168 FXFDGGXOKSPBKG-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 587114061 QSTYZBLVOLBKIG-SECBINFHSA-N 340.295 5.206 0 1 EKAF Cc1cccc2c1[C@H](C)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587208698 YBMGBPMBEVOIDF-AWEZNQCLSA-N 347.417 5.887 0 1 EKAF CC(C)(C)OC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587213970 UKALUOGMFQJSCV-UHFFFAOYSA-N 346.430 5.347 0 1 EKAF O=C1C[C@H](c2c(F)cc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587502299 DMVBORQXAWCXPY-QGZVFWFLSA-N 348.776 5.204 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3C(F)(F)F)c(C)c2c1 587639796 CUEZSIPUHBDSMI-NSHDSACASA-N 349.371 6.815 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(c3cccnc3)=NO2)cc1 1857749459 HKIFUTBPMILLBO-FQEVSTJZSA-N 339.398 5.096 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@@](C)(CO)CCC[C@@]12C 2356536511 MCTLHBSXZUSYKL-VSKRKVRLSA-N 348.527 5.191 0 1 EKAF CCCCCC[C@@H](CCCCCCCCCCCC(=O)OC)OC 2356690146 NTXWXIDJJWDEEK-FQEVSTJZSA-N 342.564 6.436 0 1 EKAF CCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437710 ZVOGRANCSDFRIU-UHFFFAOYSA-N 343.486 5.969 0 1 EKAF COc1ccc2c(-c3ccccc3)cc(OC)c3c2c1CC[C@H]3OC 13480694 CQAMJYLFZKYWHD-LJQANCHMSA-N 334.415 5.158 0 1 EKAF CCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13864226 UDDYOFMACJTBDF-UHFFFAOYSA-N 338.403 5.125 0 1 EKAF COc1cc(/C=C/C=C/c2nc3c(ccc4ccccc43)o2)ccc1O 27205785 GGAYBTBNLITUDD-VDESZNBCSA-N 343.382 5.422 0 1 EKAF CC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050531 PGPAGDLJVJKRPN-VXGBXAGGSA-N 345.229 5.343 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cnc3ccccc3c2[nH]1 587062295 QVWZHOPGVUBEES-INIZCTEOSA-N 337.810 5.295 0 1 EKAF CCC(CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349949 CYEASWXMRDXTII-TZIWHRDSSA-N 342.410 5.085 0 1 EKAF Cc1cc(Cl)cc(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503481 UQCSYKDDXUHGSJ-LJQANCHMSA-N 340.850 5.542 0 1 EKAF C[C@H](c1cccc(Cl)c1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505149 YPWAEOVDLLWVHS-XCLFUZPHSA-N 340.850 5.356 0 1 EKAF Cc1ccccc1[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527427 VKSUASOJDDEDFX-QHCPKHFHSA-N 332.443 5.145 0 1 EKAF Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587626738 HTRCLUUIZVQNBZ-UHFFFAOYSA-N 326.827 5.307 0 1 EKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1nccc1C 587628595 WUHFBRRJVNQNMX-UHFFFAOYSA-N 347.262 5.008 0 1 EKAF Oc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628704 SYOPGVNQMOYHAS-UHFFFAOYSA-N 340.579 5.096 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c2c1 587640476 DRTLTZQHFVEODX-MRXNPFEDSA-N 343.445 7.155 0 1 EKAF Cc1ccc(-c2csc([C@H](C)Cn3cc(Cl)cn3)n2)cc1C 587921104 SOTSXZADISLLJM-CYBMUJFWSA-N 331.872 5.081 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4c(C)ccc(C)c4[nH]3)c2)c1 587931529 AGTCBVCGZCFEHV-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)cc(F)c3[nH]2)cc1 587934109 AYWYLXHRVSKBBC-HXUWFJFHSA-N 346.405 5.199 0 1 EKAF CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356423618 HYHNPUDYNQKSFL-PQLRVIPUSA-N 330.556 5.972 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3C[C@@H]4[C@@H]5C[C@@]3(CC[C@@H]21)C[C@@]54C 2356511078 WYLVTNMKAPOYHN-NEZLTOAHSA-N 330.512 5.208 0 1 EKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C=C3[C@@H](CC[C@H]3C)C(C)=CC[C@H]12 2356719780 HVZVENPVUYEHDQ-WNVQPUNISA-N 340.595 7.724 0 1 EKAF C[C@]1(Oc2cccc(F)c2)CCN(Cc2csc3ccccc23)C1 61896881 WWNCAOZXXOCJSK-FQEVSTJZSA-N 341.451 5.084 0 3 EKAF O=C(C[C@@H](C(=O)c1cccs1)c1ccsc1)c1ccsc1 1636192 UJIZUKHHTVTWMC-CYBMUJFWSA-N 332.471 5.111 0 1 EKAF CC[C@H](C)CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](C)[C@]12C 14452977 HVFSYEGBXBJANJ-DXYQIREUSA-N 346.467 5.247 0 1 EKAF biogenic Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 38149542 GKEKPKLHTCVFPU-UHFFFAOYSA-N 330.431 5.433 0 1 EKAF COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1 169352373 AZWSPEWRPOQSSX-UHFFFAOYSA-N 340.492 5.308 0 1 EKAF Cc1cccnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 299839863 ZSVCEVUFIMRUGY-UHFFFAOYSA-N 336.247 5.564 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586878357 FRUZXAWQRFVZON-UHFFFAOYSA-N 342.398 5.212 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587152257 KXOFRBNEUCGYLU-JGVFFNPUSA-N 340.707 5.044 0 1 EKAF Clc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br 587208364 RICHICJBXQVMRA-UHFFFAOYSA-N 344.639 5.416 0 1 EKAF O=C1C[C@@H](c2ccc(-c3ccco3)cc2)Oc2c1ccc1c2CCCC1 587532621 MEYRLUDBYHHMML-QFIPXVFZSA-N 344.410 5.532 0 1 EKAF Cc1[nH]c2cc(F)ccc2c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C 587636792 IWLWGLRATVKQBV-KRWDZBQOSA-N 346.446 5.468 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cccc(OC(F)(F)F)c1 963240545 KLDFIVUYJPRHOF-AUUYWEPGSA-N 349.396 5.331 0 1 EKAF C=CC1=CC[C@@H]2[C@H](C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1C 2356411102 HYHIOWBLMCOLTB-QBJYZJCPSA-N 330.512 5.539 0 1 EKAF CC(C)=CCC[C@]1(C)C=C[C@@H]2c3[nH]c4ccccc4c3C=C(C)[C@@H]2O1 2356664381 SCNGJZKZHKFTAO-YFXJRYMSSA-N 333.475 6.129 0 1 EKAF CO[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@H]21 2356699051 ADVRQUCBLYRORP-GMLUQMLDSA-N 332.484 5.187 0 1 EKAF COc1ccc(Cc2c(C(C)(C)C)nc3ccc(Cl)cn23)c(C)c1 72128719 SEDGLMOQZHOEJZ-UHFFFAOYSA-N 342.870 5.193 0 3 EKAF Oc1ccc(C(=C2CCC[C@@H](CCF)C2)c2ccc(O)cc2)cc1 13685679 ZHUBDWXWKREZNI-HNNXBMFYSA-N 326.411 5.450 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13741557 FSRTVMCHXYGCQF-KOLYYURTSA-N 326.480 5.032 0 1 EKAF Cc1[nH]c(=S)n(Nc2cccc3ccccc23)c1-c1ccccc1 29321965 DONZOWKWCUROGJ-UHFFFAOYSA-N 331.444 5.550 0 1 EKAF CC(C)=CCCOc1c(CCC=C(C)C)c(=O)[nH]c2ccccc12 49112625 QXMJZXDMTKQDQL-UHFFFAOYSA-N 325.452 5.162 0 1 EKAF CCCC(=O)Nc1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1 66112453 HOMPRGAGZMZHBL-UHFFFAOYSA-N 345.446 5.166 0 1 EKAF CC1(C)C[C@](CCNc2ccc(Cl)cc2)(c2ccccc2)CCO1 72109937 IXZXEKVBTXTPGR-OAQYLSRUSA-N 343.898 5.669 0 1 EKAF Cc1cccc(C)c1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 95598036 XJANEQPBBLEESP-NRFANRHFSA-N 346.426 5.045 0 1 EKAF CC1=Nc2ccccc2C[C@H](c2ccccc2)N1Cc1ccccc1 100886814 GCUVYGOQNQYJRC-HSZRJFAPSA-N 326.443 5.536 0 1 EKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(Cl)cc1 115765255 YYQWBMIKUAVKRX-UHFFFAOYSA-N 348.233 5.044 0 1 EKAF CCc1ccc(-c2nc(-c3nc4c(C)ccc(C)c4[nH]3)cs2)cc1 587016020 NJWUWYXGRUREJG-UHFFFAOYSA-N 333.460 5.533 0 1 EKAF Cc1cc(C)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 587073305 BJVQXTFNCMBEMA-UHFFFAOYSA-N 346.861 6.476 0 1 EKAF CC(C)=C/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099523 LPJUFXQSYRVBRK-SOFGYWHQSA-N 325.411 5.734 0 1 EKAF Fc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1F 587145967 XTTKEHHGXLXXJW-UHFFFAOYSA-N 338.332 5.238 0 1 EKAF CCc1oc2ccc(C(C)=O)cc2c1-c1cc2c3c(cccc3n1)CC2 587216295 ZCAWQWJVVFLVIH-UHFFFAOYSA-N 341.410 5.512 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)cs1)O2 587408763 DFFQMACOZMLOJP-GOSISDBHSA-N 335.428 5.012 0 1 EKAF CCCCC(Cl)(Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500328 WHCVBPLKMSPRMJ-MRXNPFEDSA-N 341.278 5.263 0 1 EKAF CC(C)(C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526644 WDIFJNVROXFQBQ-DEOSSOPVSA-N 348.486 5.558 0 1 EKAF CC(C)C(C(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817667 DKRVEKIUIJJFNN-DIFFPNOSSA-N 342.296 5.092 0 1 EKAF COc1ccc(C(C)(C)C)cc1-n1nc2cc1Oc1ccc(F)cc1-2 587874713 IWIKAQPFMDSMFH-UHFFFAOYSA-N 338.382 5.090 0 1 EKAF CCC[C@]1(CCc2ccc(F)cc2)NCCc2ccc(F)c(C)c21 962372890 IARBLYBFGBDZQT-OAQYLSRUSA-N 329.434 5.047 0 1 EKAF CCCC=Cc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O 1857557815 NUEKGRSRCNWSBW-UHFFFAOYSA-N 332.399 5.724 0 1 EKAF C1=Cc2ccccc2N(C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 5390484 RTRVNRAJNZQPRH-FCHUYYIVSA-N 344.502 5.573 0 1 EKAF CN(C)[C@H]1C=C[C@]2(CC1)c1ccccc1CCc1ccc(Cl)cc12 13649950 QPNVVIACYJVUOX-UGKGYDQZSA-N 337.894 5.005 0 1 EKAF Cc1cc2c(c3c1OCO3)[C@H](C)CC[C@H]2[C@@H](C)CC(=O)CC(C)C 15268517 OOFUNMUFIROWEI-KEYYUXOJSA-N 330.468 5.346 0 1 EKAF biogenic Cc1cc(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc(C)c1O 32735873 ICDRUYXSVYNOGO-NSHDSACASA-N 342.241 5.306 0 1 EKAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2C[C@H](C)CC 82196932 UJESSOBDKMTFOH-OAHLLOKOSA-N 345.535 5.378 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H]1C=C(C)[C@H]3CC[C@@]12C3 103128770 CJXGXOWASAFJSQ-REGVOWLASA-N 330.512 5.519 0 1 EKAF Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 103203877 QYQFEUWSHBUNLR-HSZRJFAPSA-N 326.443 5.659 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1cccs1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169690669 PZOQTZIHCOGITR-OALUTQOASA-N 338.476 5.301 0 1 EKAF C/C=C/c1ccc2oc(-c3ccc(OC(C)=O)c(OC)c3)c(C)c2c1 238773116 SQHGDMJYNROBOW-AATRIKPKSA-N 336.387 5.375 0 1 EKAF CSc1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052691 IHOOPSXGZYIKQV-UHFFFAOYSA-N 339.851 5.396 0 1 EKAF Cc1ccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1C(F)(F)F 587095013 MLGWUTBRQBGORF-UHFFFAOYSA-N 342.723 5.273 0 1 EKAF CC(C)C[C@H](C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206116 KJDMWNZEYCNZMO-HNNXBMFYSA-N 329.443 5.671 0 1 EKAF Fc1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1C(F)(F)F 587210329 OSTLIYCVQASLIN-UHFFFAOYSA-N 335.275 5.297 0 1 EKAF CC(C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521946 GSPKMLPWECZCKZ-QHCPKHFHSA-N 334.459 5.569 0 1 EKAF O=C(c1ccc(F)cc1F)N1c2ccccc2Sc2ccccc21 653915959 KEIMIPNGMZBSJH-UHFFFAOYSA-N 339.366 5.408 0 1 EKAF Clc1ccc2c(NCCNc3ccccc3Cl)ccnc2c1 1772569959 XSYNITNKJOGMAF-UHFFFAOYSA-N 332.234 5.066 0 1 EKAF CC1=CC[C@H](OC(=O)c2ccccc2)C(C)=C[C@H](O)C(C)(C)CCC1 2356387856 JRSLQKPYZJDQRG-PMACEKPBSA-N 342.479 5.066 0 1 EKAF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@@H]2O1 2356597801 UXORUSKBVACZHJ-FMWKFLBASA-N 334.500 5.349 0 1 EKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C=C3[C@H](C)CC[C@@H]3C(C)=CC[C@H]12 2356719779 HVZVENPVUYEHDQ-JWHFBYGOSA-N 340.595 7.724 0 1 EKAF COC(=O)[C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 13672544 BPJGJYZAZXFYLC-VIFPVBQESA-N 327.182 5.076 0 1 EKAF CCCCCCOc1ccc(C(=O)NC[C@H]2CCCC2(C)C)cc1 13864677 QTRFMUNULDZMGC-GOSISDBHSA-N 331.500 5.202 0 1 EKAF CCCCCCOc1ccc([C@@H](CC(=O)O)c2ccccc2)cc1 14978821 UWMJXIBMHISJML-FQEVSTJZSA-N 326.436 5.252 0 1 EKAF C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826836 JSTQBEJYZPIVJU-HNNXBMFYSA-N 331.440 5.620 0 1 EKAF in-vivo Cc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1C 72108996 GFBPGVKTFGUQFZ-HSZRJFAPSA-N 337.507 5.632 0 1 EKAF COc1ccc([C@@H](Nc2ccccc2)c2c(C)[nH]c3ccccc23)cc1 84729761 XUEXVGQESDMUCX-HSZRJFAPSA-N 342.442 5.686 0 1 EKAF CCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S 95605072 LNLLTFBEWQFKPJ-UHFFFAOYSA-N 328.437 5.568 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCC3)cc21 144772159 CYWJOTCBQNJGQB-IBGZPJMESA-N 348.364 5.034 0 1 EKAF CC(C)CCCCCCCCCCCCCCCCC[C@H](O)CO 238774730 YGLGPUVWRMLSQV-QFIPXVFZSA-N 342.608 6.627 0 1 EKAF C=Cc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 586879041 DAMCWMOJXVKMKL-UHFFFAOYSA-N 328.440 6.024 0 1 EKAF CC(C)c1cc(-c2nc3c(Cl)ccnc3[nH]2)c(O)c(C(C)C)c1 586896450 LYKBBRATODVSMN-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587052173 XLUAPVJNHURSSF-VXGBXAGGSA-N 331.246 5.758 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)CCC3)c1 587365967 JURABKDYWACJAU-CQSZACIVSA-N 343.426 6.096 0 1 EKAF O=C1C[C@@]2(CC3C[C@H]4CC2C[C@@H](C3)C4)Oc2c1ccc1c2CCCC1 587529124 JJSJGQHHEIHURK-UYAAHBOMSA-N 336.475 5.116 0 1 EKAF Cc1cc(Cl)cc2c(C3CCCCC3)c(-c3ncccn3)[nH]c12 587627404 VCPGMHMFBMZRGA-UHFFFAOYSA-N 325.843 5.634 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OCC(F)F)cc3)c(C)c2c1 587641442 IVQLNOXGINUHFA-CYBMUJFWSA-N 343.417 6.301 0 1 EKAF CCc1ccc(CC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946029 RMWCAOLLFNSADW-HXUWFJFHSA-N 325.427 5.567 0 1 EKAF CCCCCc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963111641 QUVXOPYJTWTGEM-GMAHTHKFSA-N 337.482 5.668 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NCC)CC[C@]4(C)[C@H]3CC[C@]12C 1772585742 QCNPUDFYJJCJJZ-RRWVSKBDSA-N 329.572 5.954 0 1 EKAF CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)nc2)cc1 1857620622 UUZQCYFZIRKURY-UHFFFAOYSA-N 345.490 5.431 0 1 EKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@@H](C)CC 13479588 DOFRGGCTTZMZEU-NSHDSACASA-N 348.277 5.939 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@@H]2[C@@H]([C@H](C)CCC=C(C)C)CC/C(C)=C/CC[C@@H]12 40896765 SOAIWELMVRCOAD-VWWKMUFCSA-N 346.511 5.252 0 1 EKAF Clc1ccc(C2=NO[C@@H](c3ccccc3)N2c2ccccc2)cc1 103184148 QYSJAKYBEZNJGF-FQEVSTJZSA-N 334.806 5.237 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 169340640 QPIUBKNTZMBLLI-IWTYVYJLSA-N 348.527 5.044 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)c(F)cc2[nH]1 586897112 XNSVALWDUDWSHG-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF Clc1cc(Cl)c2[nH]c(CNc3ccccc3Cl)nc2c1 587060503 OKAZRWZJYSNRFQ-UHFFFAOYSA-N 326.614 5.135 0 1 EKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 587113953 PIMDHYWWXIIOBM-SECBINFHSA-N 340.295 5.206 0 1 EKAF CC[C@]1(C)C=Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207984 PKTUKRHCUGWOEP-HSZRJFAPSA-N 325.411 5.432 0 1 EKAF FC(F)Sc1ccc2c(c1)CCc1c-2nc2cccc3c2c1CC3 587210132 GDZJZPVOXSAXKC-UHFFFAOYSA-N 339.410 5.414 0 1 EKAF Cc1nc2sc3c(C)c4c(nc3c2c(C)c1C)-c1c(N)cccc1C4 587359124 GVAHOGYETIDGOO-UHFFFAOYSA-N 345.471 5.232 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(C)(C)C)c1)CC2=O 587484544 SSKMSMWLTJSFIK-FQEVSTJZSA-N 338.447 5.349 0 1 EKAF CC(C)CC[C@]1(c2ccoc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531882 INUHZVLDOAEKKO-JOCHJYFZSA-N 338.447 5.455 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(O)cc3[nH]2)c1 587780696 YKYFDZVSWQLGDA-UHFFFAOYSA-N 330.387 5.001 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(F)c(F)cc4[nH]3)ccc2c1 587935370 UCUNZMABMMZUIC-LLVKDONJSA-N 338.357 5.155 0 1 EKAF CCCC/C=C\c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587966809 XVQZZGZWMLXDMR-WAYWQWQTSA-N 336.279 5.804 0 1 EKAF COc1ccc(OC)c(C[C@@]2(C)C3=C(CC[C@H]2C)C(C)(C)CCC3)c1 2356815891 CWMPTLQOEZBEEN-WAIKUNEKSA-N 342.523 6.189 0 1 EKAF CCCCC[C@@](C)(O)c1cccc(OCc2ccc3ccccc3n2)c1 25985275 PUPULQCZPABFPH-HSZRJFAPSA-N 349.474 5.602 0 1 EKAF CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC 32175780 ABGHYAFHPINIHF-GBNIJDIESA-N 346.555 7.085 0 1 EKAF CCCc1ccc(Oc2cc(CCC)cc(OC)c2O)c(OC)c1 196360104 VQZVGQGBNDQNOQ-UHFFFAOYSA-N 330.424 5.107 0 1 EKAF CC(C)Oc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022274 XGKHDVVTXUTTDI-UHFFFAOYSA-N 349.459 5.064 0 1 EKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n1 587079535 IZFJNXQHXMCXCQ-ZETCQYMHSA-N 343.645 5.358 0 1 EKAF CC(=O)c1ccc(-c2cc(-c3nc4ccccc4[nH]3)ccc2F)cc1 587139728 RXRZLBHKEUHMLM-UHFFFAOYSA-N 330.362 5.239 0 1 EKAF CCCCc1nc2cccc3c2c(c1CCC)-c1ccccc1C3=O 587206894 PAYGMSXQTHIDQC-UHFFFAOYSA-N 329.443 5.741 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3cccs3)cc1)O2 587411540 DBIKHOWWWRFZDX-NRFANRHFSA-N 349.455 5.186 0 1 EKAF Cc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524066 JXHLDLYZDPSKAJ-JOCHJYFZSA-N 342.438 5.734 0 1 EKAF CC(C)c1[nH]c2cccc(F)c2c1-c1ccccc1Br 587632960 SSUATCDCOXACES-UHFFFAOYSA-N 332.216 5.860 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(Cn3ccnc3)c2c1 587642592 NNEJJDNNVGFDBC-KRWDZBQOSA-N 343.474 5.902 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 587932979 SMCYBADNMGVXSW-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF CCCCc1ccc([C@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950636 RZXMRGFJXMOZCQ-CYFREDJKSA-N 346.518 5.698 0 1 EKAF CCCCCC=CC=C[C@@H](O)CC=CCC=CCCCC(=O)OCC 2356503427 HMSZURWPEYGCQR-OAQYLSRUSA-N 348.527 5.666 0 1 EKAF CCCC=CC1(C=C2C(=O)O[C@H](CC)[C@H]2O)CCCCCCCC1 2356722588 LAVVTAFRFZNUBP-MOPGFXCFSA-N 334.500 5.086 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC1=N[C@H](C)CO1 13782512 NTSZZAITFRHGOZ-FQPARAGTSA-N 343.555 6.949 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@H]2[C@@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40896762 SOAIWELMVRCOAD-HPIXAFJNSA-N 346.511 5.252 0 1 EKAF CCCCNc1nccc2c1c1ccccc1n2Cc1ccccc1 40952510 AXGIMQBWBFNSFJ-UHFFFAOYSA-N 329.447 5.450 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/[C@](C)(O)c1ccc(C(C)(C)C)cc1 49111782 QJUKQGRCPPAPND-DHSFQPKKSA-N 326.524 6.130 0 1 EKAF C[C@H]1C[C@H](Nc2cncc(Oc3ccccc3F)n2)CC(C)(C)C1 82068713 HGLKHKJOZYFGDB-KBPBESRZSA-N 329.419 5.035 0 1 EKAF CC(C)=CCC/C(C)=C/COC(=O)c1cc(C(C)C)nn1C(C)(C)C 103213961 VILDBNRLFYLAMS-SFQUDFHCSA-N 346.515 5.611 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1cccc(Cl)c1F 299826324 FTTNKKCKLNNSFJ-UHFFFAOYSA-N 327.790 5.115 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(C)c(C)cc4[nH]3)cs2)cc1 587016100 PLJZAGFLXAQXTB-UHFFFAOYSA-N 333.460 5.533 0 1 EKAF COc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Cl 587034718 YRBGHRHQJQIHNG-SECBINFHSA-N 332.856 5.078 0 1 EKAF CC[C@H](C)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208006 PPWOBUQCFDZDMQ-GJZGRUSLSA-N 341.454 5.912 0 1 EKAF FC(F)(F)c1ccc(/C=C/c2cc3c4c(cccc4n2)CC3)cc1 587210051 CCQPEKIMSAULNT-IZZDOVSWSA-N 325.333 5.523 0 1 EKAF FC(F)(F)c1ccc([C@H]2Cc3nc4cccc5c4c(c32)CC5)cc1 587210116 FTAHMEQBUFQYKY-OAHLLOKOSA-N 325.333 5.040 0 1 EKAF O=C1C[C@@H](c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587523392 IHJKJYHEBPIIKW-QFIPXVFZSA-N 328.411 5.425 0 1 EKAF O=C1C[C@H](c2ccc3cc(O)ccc3c2)Oc2c1ccc1c2CCCC1 587533218 OZBZVUIUPXMVRL-JOCHJYFZSA-N 344.410 5.131 0 1 EKAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628780 PTACDRAPSINAPB-UHFFFAOYSA-N 338.165 5.206 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(F)(F)F)c2c1 587642497 SMSJUUHOQJSJMH-GFCCVEGCSA-N 347.380 6.376 0 1 EKAF Cc1ccc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1C 587920028 ALDFGMITODFHGU-UHFFFAOYSA-N 331.444 5.280 0 1 EKAF Oc1c(Cl)cc(Cl)c2ccc(-c3cc4ccccc4[nH]3)nc12 1857637746 SNXJSBVFXOATAK-UHFFFAOYSA-N 329.186 5.396 0 1 EKAF Cc1ccc2ccccc2c1[C@H](O)c1nc(-c2ccc(Cl)cc2)c[nH]1 61895645 NNKDHOSBHRPWBB-FQEVSTJZSA-N 348.833 5.273 0 3 EKAF Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1 61944547 QSVJKTIWOLSLAA-UHFFFAOYSA-N 327.330 5.094 0 3 EKAF CCCCCN(CCCCC)C(=O)C(C)(C(F)(F)F)C(F)(F)F 3124577 NVVFGAWHZKEHGY-UHFFFAOYSA-N 349.359 5.326 0 1 EKAF biogenic CCCCC/C=C\C[C@@H]1S[C@@H]1C/C=C\C/C=C\CCCC(=O)O 13587456 ZNCBZKKXWPUKQO-MFYAFOOZSA-N 336.541 6.145 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)ccc(O)c1O 14858376 RKQAGRNQCPPFNA-XVPDYNCKSA-N 330.468 5.145 0 1 EKAF biogenic c1cc(NCCCCCCCCCCNc2ccncc2)ccn1 14947250 NPFMKSWHBJHKPB-UHFFFAOYSA-N 326.488 5.121 0 1 EKAF Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 16052044 VDWAWADVXJMBAA-UHFFFAOYSA-N 345.225 6.467 0 1 EKAF in-vivo CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1C[C@H]1CCCCC(=O)O 27876815 DUTNGCOLYMDALQ-FKWHVNQQSA-N 330.512 6.463 0 1 EKAF CCCCCCc1ccc(O)c(C(=O)NCc2ccc(Cl)cc2)c1 28245153 OILGMAXBLLHIAT-UHFFFAOYSA-N 345.870 5.098 0 1 EKAF COC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)OC1CCCC1 29253198 LAVWTINDUJDLIE-RAHAUNRNSA-N 336.516 5.596 0 1 EKAF Clc1ccc(C2=NO[C@H](c3cc4ccccc4nc3Cl)C2)cc1 84730916 OLMNZEQYCBYXED-KRWDZBQOSA-N 343.213 5.407 0 1 EKAF O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1 89455933 IKHQPOBRMVKAHK-VOTSOKGWSA-N 330.387 5.207 0 1 EKAF O=C(NC1CCCCC1)Oc1ccc2ccn(-c3ccccc3)c2c1 96167343 VBLWZCNACZBHFS-UHFFFAOYSA-N 334.419 5.052 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cccc(Cl)c3)c(C)s2)c1 473091443 YAEYKZLQFBPMNI-UHFFFAOYSA-N 346.908 5.659 0 1 EKAF Fc1c(Cl)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1F 587088403 ZUICAJIDPZTYAZ-UHFFFAOYSA-N 338.144 5.296 0 1 EKAF Cc1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587094522 ANSQDNDKKOEREB-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF Cc1cnccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099038 YQOFNGSYXKKHQS-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc3ccccc3cc2[nH]1 587109790 NPIOJDFRCJOJPN-UHFFFAOYSA-N 330.284 5.541 0 1 EKAF Cc1oc(-c2ccccc2)cc1C(=O)c1coc2ccc(Cl)cc12 587275733 FDKMJEOEUOATQZ-UHFFFAOYSA-N 336.774 5.886 0 1 EKAF Cc1ccc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587565901 WSDZNBTVFQVPES-UHFFFAOYSA-N 330.387 5.243 0 1 EKAF COc1cccc(OCc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 587780577 DLOOUQBNRPZFNO-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF CC(C)(C)c1ccc(-c2cn([C@H]3CCCCc4ccccc43)nn2)cc1 1857608715 UUMRWGVATQGLCV-QFIPXVFZSA-N 345.490 5.558 0 1 EKAF Cc1cc(Br)ccc1Nc1c(N)sc2ccccc12 1857655698 PMIBPMWTPUEXSA-UHFFFAOYSA-N 333.254 5.298 0 1 EKAF Cc1ccccc1CN1C(=O)[C@@H](C)Sc2ccc(-c3ccco3)cc21 61930848 JUBBARKNNNVDET-OAHLLOKOSA-N 349.455 5.282 0 3 EKAF CCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1ncc[nH]1 13472116 UKBDSMZHTFXHHJ-UHFFFAOYSA-N 334.487 5.039 0 1 EKAF Cc1ccc2oc(N[C@H](CC3CCCCC3)c3cccnc3)nc2c1 28007868 XBLZSUJVDGECCV-GOSISDBHSA-N 335.451 5.655 0 1 EKAF F[C@@H]1CCc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572161 RPYIFLNKXOBNLG-SNVBAGLBSA-N 339.119 5.155 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 28701983 PGTLDPKTOGVCIU-CUUWFGFTSA-N 344.495 5.269 0 1 EKAF Cc1cc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1 45324537 DXBARVIJQIWBQV-UHFFFAOYSA-N 333.435 5.485 0 1 EKAF CC1(C)C[C@@](CCNc2ccc(Cl)cc2)(c2ccccc2)CCO1 72109936 IXZXEKVBTXTPGR-NRFANRHFSA-N 343.898 5.669 0 1 EKAF CCCCNc1cc(-c2ccccc2)nc2cc(OC)cc(OC)c12 98085122 PDUABDJEEBIIKK-UHFFFAOYSA-N 336.435 5.131 0 1 EKAF CC(=O)O[C@@H]1CC/C(C)=C/CC/C(C)=C\C[C@@]2(C(C)C)CC[C@]1(C)O2 100060721 HVBACKJYWZTKCA-DWZOZYCYSA-N 348.527 5.739 0 1 EKAF in-vitro Brc1ccc2[nH]c(-c3cc4ccccc4s3)cc2c1 103259891 FKIRNOQTCKKUPN-UHFFFAOYSA-N 328.234 5.812 0 1 EKAF Cc1cc(C)cc([C@H](C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103283617 INBQPEQENJJSJK-SFHVURJKSA-N 344.458 5.416 0 1 EKAF CCC(=O)C(CCCCCCc1ccc(O)cc1Cl)C(=O)CC 138204571 KJPLZJDOVRKPDF-UHFFFAOYSA-N 338.875 5.113 0 1 EKAF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1 143111370 KYRQYILNTDFRHT-VGIZFMKGSA-N 336.516 5.429 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)cc1 169339794 NRXLIJJQRPODDA-LJQANCHMSA-N 337.469 5.812 0 1 EKAF CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@H]2[C@@](C)(CO)CCC[C@@]12C 238780464 MCTLHBSXZUSYKL-UQSUDSMLSA-N 348.527 5.191 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)c1cccc(Cl)c1)CC2=O 587461970 MBUHKCWACCIBDI-BUXKBTBVSA-N 344.838 5.136 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)cc1Cl)CC2=O 587463130 UKKCBNKJBZSVFG-SFHVURJKSA-N 330.811 5.013 0 1 EKAF Clc1ccc([C@@H](CCn2cncn2)Cc2ccccc2)c(Cl)c1 1857636599 UYBCTZWDEMNMQI-HNNXBMFYSA-N 346.261 5.002 0 1 EKAF O=C(c1ccc(Cl)c(Cl)c1)c1ccn(-c2ccccc2F)c1 1911579712 KYKMEDQJKTWUOR-UHFFFAOYSA-N 334.177 5.154 0 1 EKAF CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1/C=C/c1ccccc1 13378304 OKMVXSASFNVYOK-NTCAYCPXSA-N 348.486 6.286 0 1 EKAF c1ccc(-c2ccccc2O[C@@H](c2ccccc2)C2CCNCC2)cc1 13530822 FLGYYSHYPROZJQ-DEOSSOPVSA-N 343.470 5.473 0 1 EKAF CCc1c(-c2ccccc2)nn(-c2ccc(O)cc2)c1-c1ccccc1 13558369 LVCJDIMRZPCSEH-UHFFFAOYSA-N 340.426 5.474 0 1 EKAF CC[C@@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 40938891 YXJZUDFVSPPNEB-LJQANCHMSA-N 344.886 5.041 0 1 EKAF Cc1ccc2cc([C@@H]3CC(c4sccc4C)=NN3)c(Cl)nc2c1 103213685 QJKFBJANYRVLCS-HNNXBMFYSA-N 341.867 5.005 0 1 EKAF Fc1cccc(C2(F)CC(c3nc4cc5ccccc5cc4[nH]3)C2)c1 587131717 SEPUYWWDGZKXFM-UHFFFAOYSA-N 334.369 5.598 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3c(C)cccc13)CC2=O 587485956 SHAYKPCFJSRHML-JOCHJYFZSA-N 349.430 5.015 0 1 EKAF CCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818557 INEWGMDIYCSHJD-ZBEGNZNMSA-N 328.269 5.134 0 1 EKAF Fc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 587922096 KFCKERHKUNAKCT-UHFFFAOYSA-N 337.341 5.559 0 1 EKAF COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587956103 UCWAZVWGCKRAAP-LJQANCHMSA-N 342.442 5.255 0 1 EKAF Cc1cc2nc(CC3CCC(C)(C)CC3)[nH]c2cc1Br 587960792 BWSASKKLIRGOQJ-UHFFFAOYSA-N 335.289 5.393 0 1 EKAF O=C1C=CC[C@@H](c2ccc(CCCc3ccccc3)c3ccccc23)O1 1772653532 BMSICQYLBRJVTJ-QHCPKHFHSA-N 342.438 5.559 0 1 EKAF N=C(Nc1cccc2ccccc12)N1CCC(c2ccccc2)CC1 13733869 GMFXEYPDYJJCBY-UHFFFAOYSA-N 329.447 5.066 0 1 EKAF C1=C(c2ccccc2)CCN(CC[C@@H]2CCC=C(c3ccccc3)C2)C1 13738840 YTKUTEYPYBMYSY-NRFANRHFSA-N 343.514 6.050 0 1 EKAF N=C1CCCCCCCCCCCN1[C@@H]1CCC[C@@H]1c1ccccc1 27299631 PHSYVYPNRCSHQN-FGZHOGPDSA-N 340.555 6.517 0 1 EKAF O=C1CCCC[C@@H]1[C@@H](Nc1ccc(F)cc1F)c1ccc(F)cc1 66258958 QJCAFBAPMUAMDD-KXBFYZLASA-N 333.353 5.016 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@@H]4CC[C@@H](C[C@@H]3c3ccccc3)S4)on2)cc1 101388946 GGNBFDVFZAGDEV-GKJHBJHPSA-N 347.483 5.877 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OCCO 169314079 ZWXLHTWQEHZSAD-AVHBIOJASA-N 348.527 5.668 0 1 EKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC 238735152 VQHJSIBYSWTMLS-WNAXAJPESA-N 344.539 6.861 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)cccc4[nH]3)cc2)CC1 586879884 IQAWENKBMLDYRT-QAQDUYKDSA-N 348.490 6.400 0 1 EKAF Cc1ccc2c3c(cc(-c4cccc(N)c4)nc13)-c1ccccc1C2=O 586994882 BFKXWUUEDXRGFS-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF Cc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099470 KGLUCSAZKPJCBY-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCC1(CC1)C4)-c1ccccc1C2=O 587100294 FNYILVBFIGPGIC-UHFFFAOYSA-N 325.411 5.024 0 1 EKAF Cc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1C 587151270 WSHSULGOROGMHX-NRFANRHFSA-N 345.421 5.520 0 1 EKAF Cc1cc(C)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587243208 DAGLHPREJQZISF-UHFFFAOYSA-N 341.414 5.099 0 1 EKAF CC[C@@H](C)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364505 BXEZQGISVCBYMV-CQSZACIVSA-N 345.442 6.479 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCCC1)(c1ccccc1)O2 587402253 BADNJAWCURLGSL-JOCHJYFZSA-N 335.447 5.018 0 1 EKAF CCc1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587937623 QHILOIVSYBKMNS-JOCHJYFZSA-N 342.442 5.314 0 1 EKAF CC[C@H](c1ccc(C)cc1)[C@]1(CC)N[C@@H]2CC[C@@H]2c2ccc(OC)cc21 962999572 YORUPXGPGYPZPY-KOVSNXQUSA-N 349.518 5.652 0 1 EKAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)CC=Cc1ccoc1 2356447787 DZEFKZQONVGMNQ-NRFANRHFSA-N 326.436 5.552 0 1 EKAF O=C(NC1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1 429170 DRRVKJVXWIXVSF-UHFFFAOYSA-N 342.826 5.087 0 1 EKAF CO[C@@](C)(/C=C/C/C(C)=C/CCc1ccoc1)CCCc1ccoc1 13378042 QEOMOIGEWTZICK-CKLCTERLSA-N 342.479 6.126 0 1 EKAF O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1 26982466 ZXOGUOKCMZNGQN-UHFFFAOYSA-N 327.383 5.129 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)cc1 35066223 XAMOJFHBVRVLCL-PDBXOOCHSA-N 341.495 5.080 0 1 EKAF Cc1c(-c2ccccn2)n(C2CCCCC2)c2ccc(C(=O)O)cc12 36350461 XWRLNQWTMFAFPT-UHFFFAOYSA-N 334.419 5.215 0 1 EKAF CCCCCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 95563770 ZJAJKGSVGJNVLN-INIZCTEOSA-N 326.440 5.138 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](c3cccc(O)c3)CCC[C@@]21C 299860011 IUDAAQDRQMGWTC-FRPFDOCJSA-N 342.567 7.155 0 1 EKAF Oc1ccccc1-c1cc(-c2cccs2)c2c(n1)-c1ccccc1C2 473249011 RUGIRWUBOHEEFN-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF Clc1cnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587051504 SVZOVPAIGXGJFU-RKDXNWHRSA-N 338.625 5.189 0 1 EKAF O=C1C[C@]2(CCC[C@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587509843 XELGQMYIBFNOPW-SCLBCKFNSA-N 338.369 5.022 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cccc(Br)c1 587627959 CUUJOZADCMKUKB-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCOC)c2c1 587640116 BYNCHIBVEVNRSU-CQSZACIVSA-N 325.427 5.676 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3c(C)nc(C)cc3[nH]2)c1 587780657 XLSAFDLUVPYJML-UHFFFAOYSA-N 343.430 5.307 0 1 EKAF Cc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1C 587782843 QTLLQPSVBIFRKJ-UHFFFAOYSA-N 344.414 5.131 0 1 EKAF CCCC[C@@]1(C2CCCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962633510 TXULWBZDJCRMRO-KSFYIVLOSA-N 345.527 5.156 0 1 EKAF Fc1cc(NCC23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1 1772574164 LOBSBPDFAMQFDM-UHFFFAOYSA-N 327.365 5.473 0 1 EKAF CCC(=O)[C@H](C)CCCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356569176 KJCICXVOGJMFPE-FOIQADDNSA-N 349.540 5.338 0 1 EKAF COc1cc2c(cc1O)C=C1[C@](C)(CC[C@H]3C(C)(C)CCC[C@]13C)O2 2356787583 BMXHGVBOLARWGS-NYVOZVTQSA-N 342.479 5.562 0 1 EKAF CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1cc[nH]n1 13472105 VVDRIZNMPCEBMV-UHFFFAOYSA-N 340.450 5.144 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCC 38146715 XFTXDUUQZWTDSQ-AIBIWWTJSA-N 346.559 6.061 0 1 EKAF CN1c2ccccc2[C@@H]2C=C(/C=C/c3ccc4ccccc4c3)C=C[C@@H]21 40527393 ASCIXCTXNMXQCC-ZHMOCAGUSA-N 335.450 5.951 0 1 EKAF Clc1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 72115069 NEBRHWAKJHWZMO-OAQYLSRUSA-N 349.865 5.139 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@@H]2[C@@H]([C@H](C)CCC=C(C)C)CCC(C)=CCC[C@@H]12 253667879 SOAIWELMVRCOAD-VNHVOUQCSA-N 346.511 5.252 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 253859731 LAZGFPQCCUTDPH-SMQFJCFBSA-N 331.503 6.204 0 1 EKAF c1ccc(COc2ccc3[nH]c(-c4cc5c(s4)CCC5)nc3c2)cc1 587037035 QNLIKTLFQLCXJI-UHFFFAOYSA-N 346.455 5.359 0 1 EKAF Cc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1C 587162118 CTVQNBIUXSCBGJ-UHFFFAOYSA-N 344.389 5.217 0 1 EKAF Cc1c(C)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587523322 HQSJPGGYHKSOKK-QFIPXVFZSA-N 348.486 5.814 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3O)c(C)c2c1 587642462 SGZGNPROUSCCSV-JTQLQIEISA-N 348.273 6.669 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1F 587922199 MGKIPONRVBVTER-UHFFFAOYSA-N 342.292 5.169 0 1 EKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C(/C)CCC=C(C)C)nc2c1 587968165 PMYGHVLIIXBGIK-WQLSENKSSA-N 332.831 5.153 0 1 EKAF Cc1c(F)ccc2c1[C@@](CCC(C)C)(c1ccc(Cl)cc1)NCC2 962377808 SLIUMZVNUPIRQC-OAQYLSRUSA-N 345.889 5.613 0 1 EKAF Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C(=O)O 1857578646 AMWWGPAAICSTSU-UHFFFAOYSA-N 348.242 5.398 0 1 EKAF Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)cc1 19535003 ZNXMBDFSVCVSTI-QFIPXVFZSA-N 346.405 5.048 0 3 EKAF CCCN(CCc1cccs1)[C@@H]1CCc2ccc3[nH]ccc3c2C1 13741741 OLGRDJBZDHQHOJ-QGZVFWFLSA-N 338.520 5.041 0 1 EKAF CC(C)=CC/C=C(\C)[C@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611872 FOCRIHXZXHBZHM-MOWFPQLSSA-N 340.463 5.500 0 1 EKAF in-vitro O=C1c2cccn2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 29218235 IYYNCDZGPWRXQT-GOSISDBHSA-N 325.820 5.160 0 1 EKAF CN(C)c1ccc(NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)cc1 72184149 JIKWCPVNINUNSK-UHFFFAOYSA-N 349.478 5.317 0 1 EKAF c1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)nc1 299822540 OHJBBNVQIKPBBZ-UHFFFAOYSA-N 326.424 5.443 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)cs2)o1 587016838 OOBAUXMWTCYHRT-UHFFFAOYSA-N 333.775 5.047 0 1 EKAF Clc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2nc1Cl 587027715 HKXIYUDSLQHDQX-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)c1F 587153184 WRQCNSMDTUFUMF-DTWKUNHWSA-N 339.172 5.419 0 1 EKAF CCO[C@@H](C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2N)cc1 587631459 MUGFMUDTDOECHR-JTQLQIEISA-N 332.806 5.307 0 1 EKAF CCCCC/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821237 UABBBZKPRZUKEH-KBRJJWGESA-N 340.280 5.300 0 1 EKAF Fc1ccc(F)c(-c2csc(COc3ccc(Cl)cc3)n2)c1 587922129 IHFBGPCFAMKKOT-UHFFFAOYSA-N 337.778 5.321 0 1 EKAF Oc1ccc2cccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)c2c1 963118585 GCGUXFWVZGGLAR-LJQANCHMSA-N 344.241 5.087 0 1 EKAF Cc1nc2oc(-c3ccccc3)nc2c2nc(-c3ccccc3)ccc12 1857551615 FKHTYKPYYOCEBJ-UHFFFAOYSA-N 337.382 5.413 0 1 EKAF O[C@@H]1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c21 1857760490 BTPZFIBPBMHMRF-XMMPIXPASA-N 335.406 5.478 0 1 EKAF CO[C@@H]1CC=C(C)CCC=C(C)CC[C@@H]2[C@H](C=C1C(=O)O)C2(C)C 2356418041 VWXXNOHWGGYBTR-CEXWTWQISA-N 332.484 5.141 0 1 EKAF CCCC=CCCC=CC=CCCC=CC=CC(=O)NCC(C)C 2356470711 DSXKRJBQUCPJOW-UHFFFAOYSA-N 329.528 5.900 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C[C@@]12CS2 2356756275 NQUOVPHNWQLADQ-RVFTZYGLSA-N 334.569 5.122 0 1 EKAF CN(C)c1cccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)c1 74372970 JDUCHAUEEUTCKH-UHFFFAOYSA-N 346.409 5.179 0 3 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(C)C)C[C@@H]21 27629575 CIVZHHBSJMGYNO-RTBURBONSA-N 342.523 6.372 0 1 EKAF OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817142 RJWCOGYISGJIPN-UHFFFAOYSA-N 349.518 5.183 0 1 EKAF in-vivo Cn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 29043428 PYSNVHPAGZVFQA-UHFFFAOYSA-N 338.625 5.109 0 1 EKAF Fc1ccccc1-c1nc(-c2ccccc2)oc1NCc1ccccc1 36381626 GTUATPYTLHGLQS-UHFFFAOYSA-N 344.389 5.760 0 1 EKAF CN1c2ccccc2[C@@H]2C=C(/C=C\c3ccc4ccccc4c3)C=C[C@@H]21 40743127 ASCIXCTXNMXQCC-MQLFWDHSSA-N 335.450 5.951 0 1 EKAF Clc1ccc([C@@H](CCn2ccnc2)Oc2ccccc2Cl)cc1 40861966 ZJTSOMWIPOVHII-QGZVFWFLSA-N 347.245 5.400 0 1 EKAF CCCCn1cc(C(=O)Cc2cccc(F)c2)c2cccc(OC)c21 96905987 ASWNELXNNNZNCU-UHFFFAOYSA-N 339.410 5.015 0 1 EKAF COc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C)cc2)n1 103259690 SAFVLIFWFNCRRZ-UHFFFAOYSA-N 348.446 5.860 0 1 EKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@@H]2c2cccnc2)CCC1 103524090 LOXIJKXHMQGZLD-FQEVSTJZSA-N 326.399 5.449 0 1 EKAF CC(C)(C)c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587054556 ONOKRKLXYXJCET-KHPPLWFESA-N 345.273 6.338 0 1 EKAF Cc1ccc(NC2(c3nc4cccc(Cl)c4[nH]3)CCCC2)cc1 587236695 FIRRKEMTEPMGLC-UHFFFAOYSA-N 325.843 5.406 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc3scc(C)c3c1C)O2 587415153 QFWWMWNMKIBQTN-AWEZNQCLSA-N 343.473 5.177 0 1 EKAF CC(C)(C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531558 HDIWWXVUYCEJKH-JOCHJYFZSA-N 338.447 5.337 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc4ncccc4c3[nH]2)cc1 587565321 ARLBKDWCXKOHMZ-UHFFFAOYSA-N 345.446 5.378 0 1 EKAF COc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)c(OC)c1 587924785 IZQBYAHMTICMAU-UHFFFAOYSA-N 343.473 5.216 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)cc3)n2)cc1 653729329 QKRVVGOEDUEGEH-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Oc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)no2)cc1 1857544950 MABPUQNBOBKIDE-UHFFFAOYSA-N 328.327 5.009 0 1 EKAF CC(C)=CCCC(C)=CCC[C@H](C(=O)O)c1cc2cc(O)ccc2o1 2356683528 XZFXVBWSDABZIS-SFHVURJKSA-N 342.435 5.780 0 1 EKAF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(Br)c1 25965216 RLDATGZVIQOGNJ-HOTGVXAUSA-N 349.268 5.548 0 1 EKAF CCCCC[C@H](O)/C=C/C=C/CCCCCCCCCCC(=O)O 26578691 QOMAELQQSFUYDS-ZHKSDQLTSA-N 338.532 6.026 0 1 EKAF COc1ccc(-c2nc(C(C)C)sc2-c2ccc(OC)cc2)cc1 29318135 FQDXHBDSPIMJQI-UHFFFAOYSA-N 339.460 5.618 0 1 EKAF CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 32175761 VCDLWFYODNTQOT-QTBZGTGCSA-N 342.523 6.637 0 1 EKAF CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1NCCC2(C)C 39092143 WFVUUTLPMNKOAT-UHFFFAOYSA-N 327.512 5.840 0 1 EKAF CN1[C@@H](CCCc2ccccc2)CCC[C@H]1CCCc1ccccc1 40835908 UBHNEEQVTAFAGO-PSWAGMNNSA-N 335.535 5.885 0 1 EKAF CN[C@@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 66076349 POKCWLLPLOIIOW-KRWDZBQOSA-N 328.327 5.829 0 1 EKAF C=Cc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2 66078326 KNWLEZZYMSWSII-RCDICMHDSA-N 346.474 5.455 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3)n2)cc1 73198804 WYFMOALPRXJVFE-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF Cc1cccc(Nc2nccc(-c3ccc(Cl)cc3Cl)n2)c1 103300932 LKICMQMHZFJRET-UHFFFAOYSA-N 330.218 5.502 0 1 EKAF CCC/C=C\CCCCCCCC/C=C/C=C/C(=O)N1CCCCC1 238731993 OJUNWNTXRINVLQ-OBNMDJMVSA-N 345.571 6.588 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)c3c(n2)-c2ccccc2C3)cc1 473249060 SJSTXPJBZQPHQL-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587042133 IDUJNTYYBAXVTQ-ZDUSSCGKSA-N 338.329 5.110 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071598 PVYHGKPJNAQSID-UHFFFAOYSA-N 348.833 5.771 0 1 EKAF Fc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587212865 LRBRBINCNPWIPB-UHFFFAOYSA-N 331.415 5.868 0 1 EKAF Cc1nc(-c2cc(-c3cc4c5c(cccc5n3)CC4)cs2)cs1 587361147 RPNQKJMLSJREAM-UHFFFAOYSA-N 334.469 5.494 0 1 EKAF CCCCCC[C@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587478254 FKRPJUFYVCYCFK-AOMKIAJQSA-N 344.495 5.819 0 1 EKAF O=C1CC2(CCCCCCCCC2)Oc2c1ccc1c2CCCC1 587520681 AHOZEJHNTYMWSR-UHFFFAOYSA-N 326.480 5.794 0 1 EKAF Cc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587521255 BFSQYXKTPUUVEU-NRFANRHFSA-N 345.442 5.370 0 1 EKAF CC(C)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531025 IKYDAIROGRXUQX-IBGZPJMESA-N 340.488 5.532 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccncc3)c(C(=O)C(F)(F)F)c2c1 587640312 HDCNKCRZWBJKLI-LLVKDONJSA-N 346.352 5.488 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(Cc3cccc(Cl)c3)c(C(C)C)c2c1 587641604 NLAAHFZOBZQSLW-OAHLLOKOSA-N 339.910 7.049 0 1 EKAF CC/C(=C/c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(C)cc1 587967969 QOILEZNHGHRRGY-FLIBITNWSA-N 332.234 5.524 0 1 EKAF CO[C@H]1CCCc2nc(Nc3c(Cl)cccc3Cl)sc21 1857655712 VNRUFTCYPWSWPF-NSHDSACASA-N 329.252 5.217 0 1 EKAF C=CC1=CC[C@@H]2[C@H](C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]23C)[C@H]1C 2356411101 HYHIOWBLMCOLTB-PSWNVJQFSA-N 330.512 5.539 0 1 EKAF CC=C1C([C@]2(C)CCCC(C)(C)C2)=CC[C@@H]2CO[C@H](OC(C)=O)[C@H]12 2356652114 PJDVTRLTGORAAO-MYKSZAICSA-N 332.484 5.021 0 1 EKAF Cc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884909 RPSPNPSVDDZWGZ-ZVZLLHMNSA-N 345.284 5.102 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586885748 ABJBBRKYYJCIJW-SDBXPKJASA-N 347.178 5.248 0 1 EKAF CCCCCCc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099714 SZHICVBTQOTFLB-UHFFFAOYSA-N 343.470 6.186 0 1 EKAF Fc1ccc2[nH]c(-c3nc4ccc5ncccc5c4[nH]3)c(Cl)c2c1 587174053 DTMCPQATPDHCDB-UHFFFAOYSA-N 336.757 5.052 0 1 EKAF C[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587520661 BDAPDMYUDMPKJV-XMMPIXPASA-N 346.470 5.325 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1c(Cl)cccc1Cl 587629027 YIUCJJGWMZHQPJ-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CCc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)s1 587633351 AZCZRAOJWDPOPF-UHFFFAOYSA-N 341.329 5.343 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(CC(C)C)c(C(=O)C(F)(F)F)c2c1 587641597 NHHSIYRBEVIRJD-LLVKDONJSA-N 325.374 5.625 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3nc(-c4ccc(C)cc4)no3)c2c1 587644153 OIRMMXBNTDZFPV-CQSZACIVSA-N 345.446 6.015 0 1 EKAF Cc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1C 587949811 KVAWPTNDZBLBMX-UHFFFAOYSA-N 328.415 5.563 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@H]1C[C@@H]1c1ccc(OC)cc1 963245096 ZFGBLMRJFRKNAK-HGYDTUITSA-N 349.518 5.371 0 1 EKAF Cc1cccc(-c2oc3cc(O)ccc3c2-c2ccc(O)cc2O)c1 1772616616 BMJISNHGQRFLHP-UHFFFAOYSA-N 332.355 5.192 0 1 EKAF O=c1c(O)c(-c2csc3ccccc23)oc2ccc(Cl)cc12 1857611794 GKNOPBONWOVGHC-UHFFFAOYSA-N 328.776 5.034 0 1 EKAF C[C@]12CC[C@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356393578 NHSADEZTTCEMTD-UUHYJVAHSA-N 334.569 5.266 0 1 EKAF COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12 199364072 LLDOINIVEUGJTA-UHFFFAOYSA-N 342.442 5.218 0 3 EKAF CCO[P@](=O)(Oc1ccc(Cl)cc1)C(=O)Oc1ccccc1 3653683 DULOPIOHIVOMNX-QFIPXVFZSA-N 340.699 5.147 0 1 EKAF CC(C)[C@H](C(=O)Nc1nc2ccccc2s1)c1ccc(Cl)cc1 6270874 JSPSFVSQBCVECE-INIZCTEOSA-N 344.867 5.328 0 1 EKAF CCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470395 GSVXNWWOLKQSNC-UHFFFAOYSA-N 332.447 5.770 0 1 EKAF CCCCC/C=C\C[C@H]1S[C@@H]1C/C=C\C/C=C\CCCC(=O)O 13587457 ZNCBZKKXWPUKQO-FYVRRLHDSA-N 336.541 6.145 0 1 EKAF CN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 13758605 GNJLTBRLYYQCLP-UHFFFAOYSA-N 344.861 5.307 0 1 EKAF O=C(O)Cc1ccccc1Nc1c(Cl)cc(Cl)c2ccccc12 33829528 MEMVVLQEHWDXRM-UHFFFAOYSA-N 346.213 5.517 0 1 EKAF C[C@H]1c2ccsc2CCN1C(=O)c1sc2ccccc2c1Cl 144692751 NZUYCIAPBRBOAM-JTQLQIEISA-N 347.892 5.376 0 1 EKAF CO[C@@H]1O[C@@H](OC)[C@H]2/C1=C\C/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 145417285 ZETHHMPKDUSZQQ-FCSBVEGOSA-N 348.527 5.633 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@@H]2CC[C@@H]1N2C 169370782 QRTMYRXFCOZLFS-IIZPIQPGSA-N 327.512 5.136 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)c2c(n1)-c1ccccc1C2 473247230 BXFXWDMYFWGSEA-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586964460 ZZLXZPUXTUDZSA-MRVPVSSYSA-N 340.345 5.114 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(Cl)c(F)cc2[nH]1 586970934 MKQBYDAHORROEU-UHFFFAOYSA-N 347.659 5.546 0 1 EKAF CC(C)(C)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207490 LQNSUHUVZLTIQG-GOSISDBHSA-N 341.454 5.912 0 1 EKAF Brc1cc(-c2cc3c4c(cccc4n2)CC3)c2[nH]ccc2c1 587208724 XZKHBFUCNBPHLG-UHFFFAOYSA-N 349.231 5.244 0 1 EKAF C[C@@]1(c2cccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507241 PJMHNODXBQDUSC-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF CC(C)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526180 RNSALAHOMNKFJV-HYBUGGRVSA-N 346.470 5.569 0 1 EKAF O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633385 BZWYWHXTLCVLBM-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF C[C@]1([C@@H]2CC3CCC2CC3)NCCc2cc(-c3ccccc3)ccc21 962671260 TXXDQTMOVFJNMY-VVTZXXOESA-N 331.503 5.541 0 1 EKAF O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(C=Cc3ccccc3)c21 2356385773 ZPNXTAJKEFNJMW-OAQYLSRUSA-N 342.394 5.269 0 1 EKAF CC[C@H](C)CCCCCC=C[C@@H](C)[C@@H](O)CCCCCC(=O)O 2356488396 KUETZEFEIMFMOF-OTWHNJEPSA-N 326.521 5.571 0 1 EKAF CCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@H](CC)C(=O)OC 2356617608 KIEJHZAXYSCVRF-TUFLPTIASA-N 340.592 7.015 0 1 EKAF Cc1cccc(O)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 13531273 QQYBSVWWEQVBIX-HXUWFJFHSA-N 341.454 5.120 0 1 EKAF O=C(O)CCCCCC(=O)c1ccc(CCCc2ccccc2)s1 26937703 LSHFOPZGJWJQRZ-UHFFFAOYSA-N 344.476 5.141 0 1 EKAF CC/C=C/C/C=C\C/C=C\CCCCCCCCCC(=O)NCCO 27731370 IGERBKTWMBMXMC-NSAMXNATSA-N 349.559 5.465 0 1 EKAF CCOC(=O)c1c(C)coc1-c1ccc2c(CC)cccc2c1OC 66102702 WSNTUDMZXFXVLG-UHFFFAOYSA-N 338.403 5.156 0 1 EKAF CC(C)c1cc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)on1 169371504 VORLYPMDEILSSB-WQDJSCAQSA-N 344.886 5.185 0 1 EKAF c1ccc2c(c1)[nH]c1cnc(-n3c4ccccc4c4ccncc43)cc12 238774494 HEXMCKPUCAGLPB-UHFFFAOYSA-N 334.382 5.208 0 1 EKAF COc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1 299819693 DJLRZYICXPYJCP-UHFFFAOYSA-N 340.492 5.435 0 1 EKAF CC(C)c1ccc(N2N=C(C(C)(C)C)C[C@H]2c2ccc(O)cc2)cc1 299829914 MWGVYHYLQIWBMF-FQEVSTJZSA-N 336.479 5.869 0 1 EKAF CCCCC1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 586893465 YBPZGRFAEFVBBU-UHFFFAOYSA-N 340.389 5.926 0 1 EKAF Clc1cnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587051496 SVZOVPAIGXGJFU-BDAKNGLRSA-N 338.625 5.189 0 1 EKAF Cc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Cl 587136545 RDZWKTXXHBDGFO-UHFFFAOYSA-N 347.821 5.090 0 1 EKAF Cc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1C 587163087 GTVRQRUFYJZMNZ-ATVHPVEESA-N 348.446 5.969 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCc1ccccc1C3 587206105 AMCGWCNICRBKRU-UHFFFAOYSA-N 347.417 5.136 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccccc3c1)CC2=O 587481400 LPWVMQHIFWCGEA-NRFANRHFSA-N 332.399 5.204 0 1 EKAF CCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cc1 587624530 OAOHVIZNEIFQPI-UHFFFAOYSA-N 347.792 5.807 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(Cl)cnc1Cl 587629178 XVLJXQUSUQCQSQ-UHFFFAOYSA-N 329.589 5.638 0 1 EKAF Fc1cccc(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)c1 74386458 XJUUHPITACAONN-UHFFFAOYSA-N 338.773 5.161 0 3 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2O1 102235272 XOTZRPRCGXHFHS-QZTJIDSGSA-N 338.838 5.506 0 3 EKAF Cc1cc(NCCc2c[nH]c3ccccc23)ccc1Nc1cccnc1 199262957 DZJGILQMYUOOFL-UHFFFAOYSA-N 342.446 5.270 0 3 EKAF Oc1ccc(-c2cnc(-c3[nH]c(Cl)c(Cl)c3Cl)o2)cc1 14653427 TZQPZIBRPARTJR-UHFFFAOYSA-N 329.570 5.003 0 1 EKAF biogenic CCNc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC)c1-2 26177717 DUKKUETTYYTCOP-QFIPXVFZSA-N 331.415 5.276 0 1 EKAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2c1cccnc1 26498494 SHEKPCQUIGUFBA-PABCKOPISA-N 331.459 5.337 0 1 EKAF O=C(O)CCCCCCc1ccc(Cc2ccc3ccccc3c2)cc1 26939266 TUWYKNMAZNNAGF-UHFFFAOYSA-N 346.470 6.008 0 1 EKAF CN(C)CCSC1=Cc2ccccc2Sc2ccc(Cl)cc21 39291683 JGFGBIYSEHXJHX-UHFFFAOYSA-N 347.936 5.598 0 1 EKAF Cc1cc(C)cc(-c2noc3cnc(N[C@@H](C)c4ccccc4)cc23)c1 40423461 CYRHCHWHTHQZAV-INIZCTEOSA-N 343.430 5.680 0 1 EKAF Cc1c(Cl)cccc1-c1nsc(-c2cccc(Cl)c2C)n1 73224124 NADWWOCLZZZQSA-UHFFFAOYSA-N 335.259 5.796 0 1 EKAF COC(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 141893287 SUVDWLLYJRUDFF-UHFFFAOYSA-N 327.383 5.289 0 1 EKAF Clc1ccc(NC2=NCCC3(CCCCC3)S2)cc1Cl 169308891 OOGAMNNRICBCEG-UHFFFAOYSA-N 329.296 5.601 0 1 EKAF CCCN(CCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc12 169329532 JRAIEHXIPKGSIU-HSZRJFAPSA-N 348.490 5.057 0 1 EKAF CCCCC[C@@H]1O[C@@H]1CCCCCCCCCCCCC(=O)O 199949962 WVJUKQNOKQKYKN-RBUKOAKNSA-N 326.521 6.100 0 1 EKAF Cc1cccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1 587099175 CJHDXKSTACCHSY-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccc1)C3 587208400 VLULKNISUQSRPQ-GOSISDBHSA-N 333.390 5.134 0 1 EKAF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2c(C)cc(Cl)cc12 587624611 PMVKCMCSDOEHPJ-UHFFFAOYSA-N 349.764 5.307 0 1 EKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)F 587629634 UYJQRJUIMVHHPD-UHFFFAOYSA-N 341.691 5.214 0 1 EKAF CC(C)(C)[C@@]1(c2ccccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963115901 WGCVUBOJTDSNJB-JTSKRJEESA-N 341.445 5.275 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1O 2356445209 YMYBAWFGDGMZLY-OAHLLOKOSA-N 346.467 5.267 0 1 EKAF CON(C)CCCCCCCCC=CCCCCc1cccnc1 2356557173 CFFZTNFSYWKUCA-UHFFFAOYSA-N 332.532 5.575 0 1 EKAF CC(C)(C)Cc1c(C2CCCCC2)nc2ccc(Br)cn12 72137621 SGDADDKPEFDVEI-UHFFFAOYSA-N 349.316 5.733 0 3 EKAF O=C(C[C@H](C(=O)c1ccsc1)c1ccsc1)c1ccsc1 6599420 CIROEDSBLJCTER-AWEZNQCLSA-N 332.471 5.111 0 1 EKAF CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 14420414 RRQQWPSVNGEZNY-TXNHZKHASA-N 343.555 5.085 0 1 EKAF biogenic COc1c(O)cccc1CC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 26168854 LKSJWYMXAWCGEV-SIKLNZKXSA-N 328.496 5.886 0 1 EKAF CC[C@H](C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 29061410 LHFFQFRAOUEGEB-NSHDSACASA-N 325.235 6.080 0 1 EKAF in-vivo Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(F)c(F)c3)c2c1 29348225 BFHDIFIBCIIWMY-UHFFFAOYSA-N 347.368 5.506 0 1 EKAF Cc1ccc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2n1 40567270 YLSKBIVTCQSPBA-UHFFFAOYSA-N 338.410 5.463 0 1 EKAF Clc1ccc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)cc1 45336746 XQBAVAJZGMJJJE-UHFFFAOYSA-N 337.831 6.391 0 1 EKAF c1ccc(-c2cccc(Oc3cccc(Cn4ccnc4)c3)c2)cc1 95585054 STPRJUSYAZLNKG-UHFFFAOYSA-N 326.399 5.391 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCC[C@H](O)CO 238775456 OTUCJSRSPDSAQO-SFTDATJTSA-N 328.581 6.237 0 1 EKAF CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)OCC 238783010 YCIKGMHBYGTPMB-DMIFGWGFSA-N 348.527 5.666 0 1 EKAF CCC[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990523 LIBRICFQVOXJTO-CYBMUJFWSA-N 343.426 5.372 0 1 EKAF Cc1ccc(C)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587123339 CXOJPWXPMYMTDK-YFHOEESVSA-N 348.393 5.962 0 1 EKAF O=C(Cc1cccc(Br)c1)c1coc2ccc(Cl)cc12 587276143 KNFZLODURHHJTC-UHFFFAOYSA-N 349.611 5.274 0 1 EKAF CCCCc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587493042 FQZDKSVVWMOHET-GOSISDBHSA-N 344.476 5.455 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(OC)c(C)cc3[nH]2)cc1 587564621 MVEHJSCPULSJJQ-UHFFFAOYSA-N 338.451 5.147 0 1 EKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C)c(Cl)cc2[nH]1 587927303 ONGHLPIQAISVMP-CYBMUJFWSA-N 344.842 5.084 0 1 EKAF COc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1 1857547773 GYZSPCGVILMYQS-UHFFFAOYSA-N 344.439 5.457 0 1 EKAF CC(C)c1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3C)cc1 74372909 WZLVHXASMMEKMX-UHFFFAOYSA-N 341.458 6.107 0 3 EKAF CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccc(OC)cc2)C1 13581250 GVCDQMYEZBECJU-FQEVSTJZSA-N 337.507 5.342 0 1 EKAF CCCCC(C)(C)[C@](C)(O)c1cccc(OCc2ccccc2)c1 25987543 ZZATYWNLVZYVMP-JOCHJYFZSA-N 326.480 5.690 0 1 EKAF C/C(=C(/F)c1ccc(C(=O)O)cc1)c1cc2c(s1)CCCC2(C)C 26385142 UQEHGPOXDBSVQW-PDGQHHTCSA-N 344.451 5.918 0 1 EKAF CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC 32175755 VCDLWFYODNTQOT-KYLHYVSJSA-N 342.523 6.637 0 1 EKAF CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 40861960 GGHVSJLGVRNPQI-AWEZNQCLSA-N 347.289 5.606 0 1 EKAF O=C(CCCCc1cccc2ccccc12)C(F)(F)C(F)(F)F 96915434 BFEJPZUFQWFGSU-UHFFFAOYSA-N 330.296 5.319 0 1 EKAF CC(C)(C)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 586894441 FUBBADZFYLMZBB-UHFFFAOYSA-N 344.543 5.906 0 1 EKAF Cc1c(F)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074305 RQJACAHTZZWTHX-KRWDZBQOSA-N 343.833 5.001 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3ccnc(Cl)c3[nH]2)cc1F 587145825 SKZKMXIHGWUZLW-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc12 587242415 SBOULXQZQZKNEU-UHFFFAOYSA-N 335.451 5.221 0 1 EKAF C[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500023 LEKQOKZHBWVMPT-HXUWFJFHSA-N 326.823 5.099 0 1 EKAF CC(C)(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521401 CAHXFICZWRYNHV-NRFANRHFSA-N 334.459 5.569 0 1 EKAF CCc1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623752 OLDBRZMECVYCMV-UHFFFAOYSA-N 348.671 6.122 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)OC)c2c1 587642450 NUZZZVMCJJGXQB-GFCCVEGCSA-N 325.383 5.274 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC)c(Cl)c3)c2c1 587642634 UCROXWDVOIDGNX-GFCCVEGCSA-N 327.855 6.319 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(CC(=O)O)c2c1 587643802 XDNLYIQGNXBZFR-LLVKDONJSA-N 343.373 5.254 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@H]3CC[C@@H](C(C)(C)C)C3)nc2c1 587969686 UKYNWKVJWDWUCX-VXGBXAGGSA-N 335.289 5.564 0 1 EKAF CCCCC=CCCCCCCCCCc1cc(O)cc(OC)c1 2356553895 NKOPRUNFJQCUCF-UHFFFAOYSA-N 332.528 6.811 0 1 EKAF Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2)cc1 61921045 DFYTXYCOPJJUIT-UHFFFAOYSA-N 336.797 5.385 0 3 EKAF Fc1cccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 72141640 MSJVSRLMCUCSHC-UHFFFAOYSA-N 336.797 5.385 0 3 EKAF Cc1c2c(cc3c(C(F)(F)F)cc(Cl)nc13)[C@H](C)CC(C)(C)N2 27415653 JHNZWHOSOLPGTO-MRVPVSSYSA-N 342.792 5.913 0 1 EKAF C/C(=C\[C@@H](O)C/C(C)=C/CCc1ccoc1)C/C=C/c1ccoc1 32297831 SIXUXMXDQFOIKA-DXHCCZSWSA-N 326.436 5.552 0 1 EKAF O=C([C@H]1C[C@H]1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 56836649 QZBYSJNCNQZJAB-SRDOPONQSA-N 331.459 5.124 0 1 EKAF O=C(O)CCN1c2ccc(Cl)cc2Sc2cc(Cl)ccc21 218603715 LDIVBPQKXNEANT-UHFFFAOYSA-N 340.231 5.071 0 1 EKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cnccc4[nH]3)cs2)c1 587015840 UUZGSBSMCDDQIV-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(Cl)c3[nH]2)c1 587050435 KKJNRQDISQMYKT-UHFFFAOYSA-N 348.233 5.131 0 1 EKAF Cc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1C 587083796 MJUQFKIJNVPUKJ-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Fc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124716 LGXCKFCZBDXMNV-TWGQIWQCSA-N 338.329 5.484 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cc(F)cc(Br)c3)[nH]c12 587161574 XLMIVYYPPVIBOJ-UHFFFAOYSA-N 347.231 5.429 0 1 EKAF O=C1c2ccccc2-c2cc(CCC3CCCC3)nc3cccc1c23 587206990 PYYUARFIDQXSGA-UHFFFAOYSA-N 327.427 5.569 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)s3)c2c1 587642277 MJWAYBVSWITRGB-JTQLQIEISA-N 347.430 6.220 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)cc1O 587787191 RHGBRKLNRHDSHJ-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC(C)=C1CC[C@@H](C)C[C@@]12c1cccc(Br)c1CCN2C 963269033 DLGDRKIUHOOKMX-KUHUBIRLSA-N 348.328 5.289 0 1 EKAF CC[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356307453 XRFPNYQNNAHIPX-QONUYQIRSA-N 346.555 5.987 0 1 EKAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356486559 WYIQMFYYLDLRBC-IYUJAYFOSA-N 334.544 5.654 0 1 EKAF COC(=O)CCCCC=CCC=CCCCCCCCC(=O)OC 2356670775 BJEPALDWQRJLJD-UHFFFAOYSA-N 338.488 5.126 0 1 EKAF COc1cc(Nc2ncc(-c3ccc(C)cc3)o2)ccc1-c1cnco1 3594951 JHOXCWAGTORVAV-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF c1ccc2c(c1)c1ccncc1n2-n1c2ccccc2c2ccncc21 13377156 XAJANKHEYZUOPN-UHFFFAOYSA-N 334.382 5.004 0 1 EKAF biogenic CC(=O)OC[C@H](C)/C1=C/C=C(\C)CC/C=C(\C)CC[C@H]2O[C@]2(C)CC1 13384635 NPPINIIXKXSEEJ-WKTXKQKESA-N 346.511 5.516 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(O)cc2C)c1C 14974994 WARDLQCZPJPGNB-UHFFFAOYSA-N 329.440 5.381 0 1 EKAF CC(C)(C)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 29040545 XCKAYKKBMJSIHM-UHFFFAOYSA-N 334.341 5.426 0 1 EKAF CCCc1cc(F)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O 34320108 NDHLVTVXZUEGII-UHFFFAOYSA-N 328.383 5.138 0 1 EKAF O=C(O)/C=C(/CCc1ccc(-c2ccccc2)cc1)c1ccccc1 43064824 WBUXETFRABRGME-XLNRJJMWSA-N 328.411 5.454 0 1 EKAF Cc1c2n(c3ccccc13)-c1ccccc1N[C@@H]2c1ccc(O)cc1 71331234 UDLVAQCUKUDPBW-OAQYLSRUSA-N 326.399 5.159 0 1 EKAF CCCC(=O)NC/C=C\CCCCCCCCCCCCC(=O)O 72110800 UCFNHJNUODWRNN-SQFISAMPSA-N 339.520 5.225 0 1 EKAF COc1ccccc1-c1cc2c(Nc3cccc(F)c3)nccc2[nH]1 74386957 PFQGJHDWZCPTGD-UHFFFAOYSA-N 333.366 5.121 0 1 EKAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 95911546 HACHLIKPIMANLR-NLCHCKGPSA-N 345.571 5.165 0 1 EKAF biogenic,in-vitro COc1cccc(F)c1-c1cccc2nc(NC3CCCCC3)oc12 169326139 YMKXWFUPUHDFKL-UHFFFAOYSA-N 340.398 5.387 0 1 EKAF FC(F)(F)c1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1 169350535 BYQVGDLVTSEHRH-UHFFFAOYSA-N 339.316 6.181 0 1 EKAF C[C@H](CCCO)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299839900 ZWJSLCYDYKYAGX-KBPCHRIOSA-N 346.599 6.444 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587028519 UZGOFVMCNNRJNQ-UHFFFAOYSA-N 348.353 5.009 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccc4ncoc34)nc3cccc1c23 587105563 DGKDYRYJHTVCGC-UHFFFAOYSA-N 348.361 5.254 0 1 EKAF CCC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351395 GLNQEOPULPNEFB-LPLGYCIKSA-N 342.410 5.085 0 1 EKAF Cc1nc2sc(-c3cc4c5c(cccc5n3)CC4)c(N)c2c(C)c1C 587359121 GUOPIXIEADZMNO-UHFFFAOYSA-N 345.471 5.118 0 1 EKAF CCCC/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587966927 ZFFWYQLFLHTUAA-AATRIKPKSA-N 347.178 5.548 0 1 EKAF CC(C)NC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857643021 POOAVDWSEJSNMK-UHFFFAOYSA-N 343.430 5.518 0 1 EKAF CCC=CC=CC=CC=CCCCCCCCCOC(=O)CC(C)C 2356553180 QVLFQVORFCICKZ-UHFFFAOYSA-N 346.555 6.941 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1F 3832040 QJOICFNPLDJOLA-UHFFFAOYSA-N 332.353 5.689 0 1 EKAF O=C1c2ccc(O)cc2CC[C@@H]1Cc1ccc(-c2ccccc2)cc1 13675288 WSDRZGNMHVUJFX-HXUWFJFHSA-N 328.411 5.047 0 1 EKAF COc1ccc(-c2nc3c4ccccc4ccc3n2CC(C)C)cc1 27657626 TWAHIBJERHDNTJ-UHFFFAOYSA-N 330.431 5.521 0 1 EKAF Cc1c(C)n(CC(C)C)c2c(OCc3ccc(Cl)cc3)nccc12 38266874 GWSBFWULNWZQBG-UHFFFAOYSA-N 342.870 5.542 0 1 EKAF Clc1ccc(N2COc3ccc4ccccc4c3C2)c(Cl)c1 49072508 HJLJXLOUNZHVON-UHFFFAOYSA-N 330.214 5.503 0 1 EKAF C[C@H](c1ccccc1)N1COc2c(ccc3c2c2ccccc2n3C)C1 49807347 BMIPKDYMNCSPOO-MRXNPFEDSA-N 342.442 5.245 0 1 EKAF O[C@@H]1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1 58590008 UCXPRAJDTFLIAK-GMKZXUHWSA-N 326.439 5.402 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@H]1CC[C@@H]3O1 72136220 DSGQGIYWJKACCQ-DLBZAZTESA-N 343.348 5.770 0 1 EKAF Cc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1O 89469038 VQMADICQUYIKLC-UHFFFAOYSA-N 330.840 5.530 0 1 EKAF Clc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032726 NZFIVEFQYMEMRT-UHFFFAOYSA-N 339.851 5.224 0 1 EKAF Fc1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1F 587054589 OUSGHBRXTHCMJR-DAXSKMNVSA-N 325.145 5.318 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc4ccccn4c3)nc3cccc1c23 587106020 KCDAMSZIMVFDBJ-UHFFFAOYSA-N 346.389 5.366 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1oc1ccccc13)O2 587407573 CSKYAZKDLUWGNV-HXUWFJFHSA-N 343.382 5.183 0 1 EKAF CC(C)C(C(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821427 UYXTZIAEAPEFPK-DIFFPNOSSA-N 342.296 5.092 0 1 EKAF Cc1ccc([C@@H](c2ccccc2)[S@](=O)Cc2cccs2)cc1 1772590667 PWZOWRNJWLJVFK-DENIHFKCSA-N 326.486 5.095 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 1634349 DLDHCDKBXVNGMC-OVCLIPMQSA-N 349.474 6.276 0 1 EKAF CC1=C(/C=C/c2ccccc2/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 1892596 ZCPDAPYQPPOYPN-SSQQRFAJSA-N 336.475 6.271 0 1 EKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/C=C/c1ccc(C)cc1C 4823172 TYGGMTUYBOIVCO-JWWYDEFJSA-N 348.442 5.190 0 1 EKAF CCCCCC(=O)Nc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470393 MAAVQWBDLZIZJF-UHFFFAOYSA-N 345.446 5.329 0 1 EKAF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOC)c1 29399465 NSPUVVSLTLFNQS-SFTDATJTSA-N 342.479 5.364 0 1 EKAF Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 35049720 JTMDFOSVAQARHK-UHFFFAOYSA-N 345.324 5.206 0 1 EKAF C[C@H]1CCC[C@H](C)N1C[C@H](C)c1cccc(C(=O)c2ccccc2)c1 58563397 MSOLWIXKJYSHSW-FHWLQOOXSA-N 335.491 5.284 0 1 EKAF CC[C@H](NCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72142302 MTNPQNUFRUDUAZ-QFIPXVFZSA-N 342.442 5.736 0 1 EKAF Cc1c(/C=C/c2ccccc2)oc2cccc(OC3CCNCC3)c12 95557753 SWHJTMXXIZUHER-ZHACJKMWSA-N 333.431 5.042 0 1 EKAF Cc1nc(CCc2ccccc2)cc(N[C@@H]2CCCc3ccccc32)n1 143125304 HGUOALCLCFKZFO-JOCHJYFZSA-N 343.474 5.060 0 1 EKAF C[C@H]1CCC[C@@H](C)N1C[C@H](C)c1cccc(C(=O)c2ccccc2)c1 150154034 MSOLWIXKJYSHSW-GBESFXJTSA-N 335.491 5.284 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C1(/C=C\CCCC(=O)O)CC1 169337830 TXGBEZKLKPIFFD-PTORLXGWSA-N 330.512 6.607 0 1 EKAF C/C(=C\Cl)C/C=C\C=C\C(=O)N[C@@H](C)/C=C\CC/C=C/Cl 200955999 VOWNHWSVEUWZQX-SLMJHOPOSA-N 328.283 5.225 0 1 EKAF CC(C)(C)C1=NN(c2cccc(Cl)c2)[C@@H](c2ccc(F)c(O)c2)C1 299834510 YKVBJUAOAMFYIU-MRXNPFEDSA-N 346.833 5.538 0 1 EKAF O=C1c2ccccc2-c2cc(C3CCCCC3)nc3ccc(O)c1c23 586991557 OKTZHQHYDYKPLU-UHFFFAOYSA-N 329.399 5.200 0 1 EKAF CCCC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991571 PBZGETAEUFXDSB-CYBMUJFWSA-N 343.426 5.372 0 1 EKAF Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159675 SKWXTPUQWWGGCJ-UHFFFAOYSA-N 342.377 5.016 0 1 EKAF Cc1ccc(C2(C(=O)c3coc4ccc(Cl)cc34)CCCC2)cc1 587275523 BFBUOOTXXCOVJV-UHFFFAOYSA-N 338.834 6.089 0 1 EKAF CCC=C1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 1857621785 UOIJHEQXCGDHBU-WCIYBSDLSA-N 326.480 5.593 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3SCCS3)cc1OC2(C)C 13524399 VJHJNJPPFIIKQZ-ZIAGYGMSSA-N 348.533 5.482 0 1 EKAF Clc1ccc(Oc2nnc(Cc3ccncc3)c3ccccc23)cc1 13808825 CCVDZJHZVAQGSW-UHFFFAOYSA-N 347.805 5.061 0 1 EKAF CCCCOc1ccc2cc(C[C@@H](C)NCc3ccccc3)ccc2c1 40847814 YIPJGAAYIMEAQI-LJQANCHMSA-N 347.502 5.740 0 1 EKAF in-vivo FC(F)(F)c1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 74457228 RUCQCQPBKMNNQD-UHFFFAOYSA-N 345.349 5.144 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@](C)(C[C@H]41)O3 100773099 SCQKOFCBSCEEQG-HKARXFIJSA-N 331.459 5.886 0 1 EKAF endogenous,in-man Cn1ccc2c(-c3cccc4ccccc34)cc3c(c21)[C@@H]1CC[C@@H]3O1 102884423 GLZODCOHLUSPJL-SFTDATJTSA-N 325.411 5.905 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(N[C@H](C)C(F)(F)F)ncc2c1 169699971 WWCPCLHHGLYZOE-GFCCVEGCSA-N 348.343 5.712 0 1 EKAF COc1ccc2[nH]cc([C@@H](c3c[nH]c4ccccc34)C(F)(F)F)c2c1 221051041 ZGTGKQLLGMGKPJ-GOSISDBHSA-N 344.336 5.352 0 1 EKAF CC(C)(C)C1=NN(c2cccc(Cl)c2)[C@H](c2ccc(F)c(O)c2)C1 299834508 YKVBJUAOAMFYIU-INIZCTEOSA-N 346.833 5.538 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1 586879742 JCSVJCMBEHDQTA-UHFFFAOYSA-N 346.817 5.753 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586880027 BFYDQMHLRHXIAA-UHFFFAOYSA-N 334.250 5.619 0 1 EKAF Cc1cc(Cl)cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070371 SLIFZEMIPBSSJM-LLVKDONJSA-N 347.245 5.555 0 1 EKAF Cc1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1C 587145514 LWZLGJJVJMGESY-UHFFFAOYSA-N 334.369 5.792 0 1 EKAF Cc1cccc2c1[C@@H](C)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587208700 YBMGBPMBEVOIDF-CQSZACIVSA-N 347.417 5.887 0 1 EKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2cccc3c2c1CC3 587212941 NCSSRHQKCRSKSS-UHFFFAOYSA-N 338.454 5.528 0 1 EKAF CC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)C12CC3CC(CC(C3)C1)C2 587214634 VNCPWBQYBLMJJL-DJKMCGLWSA-N 345.486 5.222 0 1 EKAF O=C(c1cnc(Cl)c(Cl)c1)c1coc2ccc(Cl)cc12 587278414 MHQIENPVSVZXPF-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF COc1cccc(-c2cc(CC3CC3)nc3c2oc2ccccc23)c1 587366535 VHUYHAZCRZQZPF-UHFFFAOYSA-N 329.399 5.609 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C)C3)c1 587367855 YFXGBLZEMJEVGV-AWEZNQCLSA-N 343.426 5.781 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(Cl)c1)CC2=O 587466610 MOCLRJNGJQQPFU-LJQANCHMSA-N 348.801 5.018 0 1 EKAF C[C@]1(Cc2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501422 OIDREVXDMBZXJE-NRFANRHFSA-N 340.850 5.185 0 1 EKAF Cc1cc2c(n1CC[C@H](c1ccc(F)cc1)c1ccco1)CCCC2 587946744 WWCFJLHUMHEAFW-HXUWFJFHSA-N 337.438 5.630 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2cc(F)cc(Br)c2[nH]1 587954583 AZRTZINUMZAEGN-UHFFFAOYSA-N 347.231 5.099 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C(C)(C)C)cc2)N1 962962633 YFTCJCRUXYGLSV-UUOWRZLLSA-N 346.518 5.653 0 1 EKAF C=CC1=C(C)[C@@H]2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 2356532794 YHLITXUMLUPSSE-DNVBULBTSA-N 330.512 5.683 0 1 EKAF CN(C(=O)OC(C)(C)C)c1ccc(-c2nc3ccccc3s2)cc1 12479412 SRIFDKFDKKNYFZ-UHFFFAOYSA-N 340.448 5.335 0 3 EKAF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCOC)c1 29399468 NSPUVVSLTLFNQS-NHCUHLMSSA-N 342.479 5.364 0 1 EKAF CC[C@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 40938889 YXJZUDFVSPPNEB-IBGZPJMESA-N 344.886 5.041 0 1 EKAF CCc1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107828 OIVMKFNBMAPQDR-HSZRJFAPSA-N 337.507 5.578 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184804 LNZVFVDXQMOFRR-LNEUCJPTSA-N 332.528 5.900 0 1 EKAF CCCCCCN1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@H]2C1 167560337 IXWSQWDWBZOAFH-BJKOFHAPSA-N 348.534 5.071 0 1 EKAF Cn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4c3)ccc21 473235006 ISHOMLBCNOHBRG-ZHACJKMWSA-N 333.434 6.655 0 1 EKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587148863 DLTZWXVEDXKNIJ-LLVKDONJSA-N 330.378 5.279 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587171071 IHZVGBHKJWLYQG-GFCCVEGCSA-N 343.471 5.290 0 1 EKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)nc2cccc3c2c1CC3 587210013 APSQXRRKBXVJBT-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)c1coc2ccccc12 587281034 QHIZOTPWPLAJMO-OAHLLOKOSA-N 349.213 5.780 0 1 EKAF C[C@@H]1CCCN(CCCCCCOc2ccc3ccccc3c2)C1 1857751625 GKQJPKKIDUHXHV-LJQANCHMSA-N 325.496 5.511 0 1 EKAF O=C(O)C=CC[C@@H]1[C@@H]2C=CC=C[C@H]2[C@H]1CC=CC=Cc1ccccc1 2356614612 AUNSFXNQIFBBRL-MBDNFAEBSA-N 332.443 5.281 0 1 EKAF Cc1ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n2c1 320048 JRBNUVSXZYILRK-UHFFFAOYSA-N 339.870 5.708 0 1 EKAF CCCCc1ccc2c(OC(C)=O)c(CCCC)cc(OC)c2c1 5832306 PWGJSDGHEMNEKH-UHFFFAOYSA-N 328.452 5.459 0 1 EKAF CC/C(C)=C1/Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13490434 WLEYQRHXERCYNY-LPYMAVHISA-N 349.449 6.634 0 1 EKAF CC[C@@H](C)c1ccc(N2C(N)=NC[C@H]2c2ccc(C(C)C)cc2)cc1 26822926 KTRUNALIHOBCOJ-IERDGZPVSA-N 335.495 5.200 0 1 EKAF CCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(C)cc3)ccc21 28888225 LVPBBTPBCURDJI-UHFFFAOYSA-N 348.490 5.225 0 1 EKAF COc1ccccc1-c1cc(-c2ccccc2-c2ccccc2)n[nH]1 49088876 OUTDBDVQNGUBDB-UHFFFAOYSA-N 326.399 5.419 0 1 EKAF CO[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl 72101794 FJKPYZLCKNOVRG-IBGZPJMESA-N 344.241 5.327 0 1 EKAF COc1ccc(Nc2c(-c3ccccc3)cnc3ccccc23)cc1 84687742 ZRRVPGYSELXTKI-UHFFFAOYSA-N 326.399 5.654 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3ccccc3cc2[nH]1 587067810 QIFAHIRTOWIQLA-CYBMUJFWSA-N 336.822 5.818 0 1 EKAF CC(C)C[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206458 DIPWRPZJPDPHHR-AWEZNQCLSA-N 327.427 5.207 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)cc(C)c2[nH]1 587239980 CXFDTANOBRCSMW-UHFFFAOYSA-N 343.430 5.599 0 1 EKAF CC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354818 OUQMRHXNAVNXAT-PZJWPPBQSA-N 342.410 5.085 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccccc1)O2 587402527 FAGCFWRDRQHFMQ-NRFANRHFSA-N 345.398 5.076 0 1 EKAF CCCCC/C=C/CC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479291 HSEVZGZPQPHGCX-FDMDGMSGSA-N 330.468 5.595 0 1 EKAF CCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819805 NOTPYPFKLUVZMQ-FZMZJTMJSA-N 328.269 5.134 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCCCC2)N1 587820542 PWOUESPFFKPGHS-IAQYHMDHSA-N 340.280 5.134 0 1 EKAF COc1cccc(C2(c3nc4ccc(C(C)(C)C)nc4[nH]3)CCCC2)c1 587932963 IDMHLDLRAVQZOD-UHFFFAOYSA-N 349.478 5.124 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@@H]2c1ccc(C(F)(F)F)cc1 653822825 MFUWJZAUPKOBAX-HXPMCKFVSA-N 345.364 5.477 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(O)cc1 13813939 KZUXZSFZKWQYQT-UHFFFAOYSA-N 342.394 5.449 0 3 EKAF aggregator CC1=Nc2ccccc2/C1=C\c1sc(Nc2ccc(C)cc2)nc1O 13555279 AVNFHYUYYYGJPT-WJDWOHSUSA-N 347.443 5.547 0 1 EKAF aggregator CCCC[C@@H]1Cc2cc(O)ccc2-c2c(C(C)=O)c3ccc(O)cc3n21 13606430 PQCZRPVHMYQDDP-OAHLLOKOSA-N 349.430 5.210 0 1 EKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)[C@H](C)C2(C)C 13742676 KNVNYVWRFXGLRO-INIZCTEOSA-N 348.486 5.960 0 1 EKAF c1ccc(CCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947256 PLPVJXYOYQZCPM-UHFFFAOYSA-N 330.475 5.548 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cc(O)cc(O)c1 34727275 NFGWJVSRVVXHIT-LTKCOYKYSA-N 340.507 6.616 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCC(C)C)cc2)n1 72186634 BFBORBWBTGTGJA-QGZVFWFLSA-N 344.499 5.435 0 1 EKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H](CCC(=O)O)C(=O)CC[C@@H]12 82047389 DFTCDNAUEJSOJZ-VKUPYFBZSA-N 334.500 5.079 0 1 EKAF Clc1ccccc1[C@H]1Oc2ccccc2-c2cc(-c3ccco3)nn21 95552704 NTBLOZXJQWKKIA-HXUWFJFHSA-N 348.789 5.403 0 1 EKAF Cc1ccc(-c2c(C)nn3c(NCC4CCCCC4)cc(C)nc23)cc1 95561279 NHUVQGZBVRTXKR-UHFFFAOYSA-N 348.494 5.314 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 169294180 IRFOEHYGMSKERJ-QQOZLPODSA-N 349.449 5.046 0 1 EKAF CC/C=C(\CC)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12 219256075 FIDCRXXEFWLWFD-VGOFMYFVSA-N 335.451 5.916 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 587066383 MGMUDLDXCYRCRX-MRVPVSSYSA-N 340.732 5.082 0 1 EKAF Cc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1C 587134773 OKAIBZGIRJFAHX-GQCTYLIASA-N 338.279 5.046 0 1 EKAF CC(C)(Cc1cc2c3c(cccc3n1)CC2)c1c[nH]c2ccccc12 587211668 IYDABONVGXUPAG-UHFFFAOYSA-N 326.443 5.335 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)C)C3)c1 587367863 YRKSXMBAGNSDDL-QGZVFWFLSA-N 343.426 5.952 0 1 EKAF CCc1c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc2ccc(C)cc12 587407537 CDUTZMMGPQSHQA-JOCHJYFZSA-N 349.430 5.075 0 1 EKAF CCC[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526768 RXBBMIQBLWHSFM-QFIPXVFZSA-N 326.480 5.650 0 1 EKAF Cc1cc(Cl)cc2c(CCC(=O)O)c(-c3cc(F)cc(F)c3)[nH]c12 587624504 KRBZZKDJJZSABX-UHFFFAOYSA-N 349.764 5.092 0 1 EKAF O=C(c1c(-c2cccs2)[nH]c2cc(Cl)c(F)cc12)C(F)F 587629666 WIHDNBQBWVNKSV-UHFFFAOYSA-N 329.730 5.137 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N3CCCC[C@H]3CC)c2c1 587641948 IOHFHBAAIUVTTG-WMLDXEAASA-N 326.484 5.395 0 1 EKAF CC(C)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809563 ALFBLOHYYVKTDZ-YVEFUNNKSA-N 342.296 5.020 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1F 587921996 FQTJESBTPHBIHM-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF Cc1cc(OCCn2c(C)ccc2C(C)C)c(C(C)C)cc1Cl 587943281 TZYKJGQWGUXYBN-UHFFFAOYSA-N 333.903 6.084 0 1 EKAF Clc1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956471 RNNUMQOPDLDOHV-KRWDZBQOSA-N 332.834 5.591 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1cccc2ccoc12 653882105 ASRISXVSGKROAV-ZZXKWVIFSA-N 346.257 5.885 0 1 EKAF CC(=C[C@@]1(C)[C@H]2[C@@H](C)C[C@@H](C)[C@H]2C(C)=C[C@H]1c1ccccc1)C(=O)O 2356725505 HIANYLYHDLQNBW-FVSQVOMOSA-N 338.491 5.676 0 1 EKAF CC1(C)OC(=S)Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21 13488855 IACXCHAZSQLGJN-UHFFFAOYSA-N 338.259 5.623 0 1 EKAF CCCCCC/N=c1\ccn(Cc2ccccc2)c2c(OC)cccc12 13741413 CMOFZFSDPKODJD-DARPEHSRSA-N 348.490 5.179 0 1 EKAF CCCCOc1ccc(Nc2cc(C)nc3ccc4c[nH]nc4c23)cc1 28769356 YTOWOQRDFWPMMO-UHFFFAOYSA-N 346.434 5.342 0 1 EKAF Cc1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)n1 35259958 DEUJPRBSWMXMKH-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF CN1Cc2cc(N3CCCC3)ccc2[C@H](c2cc3ccccc3s2)C1 38208546 ZJEDITUWACTVKK-HXUWFJFHSA-N 348.515 5.079 0 1 EKAF CCCCCCOc1ccc(NC(=O)Oc2ccccc2F)cc1 45336905 ASBZIVYPMZQHBL-UHFFFAOYSA-N 331.387 5.396 0 1 EKAF in-vivo CC[C@@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(\C)CCC=C(C)C 59049229 UMIJNJJRYSRDPG-AAGJOFLKSA-N 346.467 5.398 0 1 EKAF CC1(C)Sc2ccccc2C(O)=C1C(=O)Nc1cccc(Cl)c1 100997190 BUJPRQOJIZGWNV-UHFFFAOYSA-N 345.851 5.132 0 1 EKAF FC(F)(F)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 169312096 FDBCCZRVPYRHIT-UHFFFAOYSA-N 327.309 5.479 0 1 EKAF Cc1c(Br)ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879797 IGAPVNQHMYYSCR-UHFFFAOYSA-N 341.252 5.568 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cccc(Br)c2[nH]1 586903066 GXPDLPUERPDIMO-UHFFFAOYSA-N 341.208 5.301 0 1 EKAF COc1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048222 GJZSKVLAOLGPLK-NXEZZACHSA-N 333.218 5.149 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084296 XCNNLVCBLGDKNF-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C1CC1)CC4)-c1ccccc1C2=O 587102227 ZJYMVISKFKLEEQ-HNNXBMFYSA-N 339.438 5.270 0 1 EKAF Cc1ccc(C)c(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587959768 VJACTIHTJZHSAX-UHFFFAOYSA-N 349.659 5.186 0 1 EKAF C[C@@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)NCCc2cccc(-c3ccccc3)c21 962666437 JYDLHKBPDWJJPL-QBVRBKIRSA-N 331.503 5.541 0 1 EKAF CCCC[C@@]1(C2CCCC2)NCCc2cccc(-c3ccccc3)c21 962669018 ZQGKFGYPTBHRCI-DEOSSOPVSA-N 333.519 6.075 0 1 EKAF CCC[C@]1(C)[C@H](C)CC=C2[C@@H]3CC(C)(C)CC[C@@]3(CO)CC[C@@]21C 2356400696 HFWWPLGQXNNDTF-HTKBXHQZSA-N 332.572 6.364 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(C)C4)C1(C)C 2356570580 OOFXFLVLGBRHBD-KEGPBYDESA-N 330.512 5.207 0 1 EKAF CCC(=CCN1Cc2c(Cl)ccc3[nH]c(=S)n(c23)C[C@@H]1C)CC 3805209 PJGGXOOMJFDSQO-LBPRGKRZSA-N 349.931 5.303 0 1 EKAF COc1cccc2c1-c1ccc3c(c1[C@H](C(C)C)O2)C(C)=CC(C)(C)N3 13470782 LONLTTQFSBAAKV-QFIPXVFZSA-N 349.474 6.059 0 1 EKAF CC1(C)CCOc2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc21 13745079 OYWXZUTUIPXTRD-UHFFFAOYSA-N 332.399 5.265 0 1 EKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3ccc(OC)cc32)cc1 13829842 CUVDZKHXIYZNDB-NZQKXSOJSA-N 346.426 5.360 0 1 EKAF COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC 14616326 HGGLIXDRUINGBB-ONEGZZNKSA-N 340.504 5.350 0 1 EKAF Cc1cccc(Nc2nc(-c3cc(Cl)nc(Cl)c3)cs2)c1 45301129 BPWPPVDQFOOOJM-UHFFFAOYSA-N 336.247 5.564 0 1 EKAF COc1ccc(-c2csc(Nc3cc4ccccc4cn3)n2)cc1 66165809 ZJCDRMCECHFCNO-UHFFFAOYSA-N 333.416 5.111 0 1 EKAF Cc1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 144739398 LZXMAOHOGXRTLH-HXUWFJFHSA-N 340.344 5.441 0 1 EKAF O=C1C[C@H](c2ccc(-n3cccc3)cc2)Oc2c1ccc1c2CCCC1 587515327 KNCNARNJPQSAKJ-JOCHJYFZSA-N 343.426 5.063 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)c(Cl)c1 587628355 LSLVUICXPCUNFE-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CCc1[nH]c2cccc(F)c2c1Cc1ccc(Br)cc1 587633029 WSSJWNYZJOFOLF-UHFFFAOYSA-N 332.216 5.223 0 1 EKAF CC(C)=CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813914 QNOGVVZIYKBLQL-SJKOYZFVSA-N 340.280 5.084 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCCCC2)N1 587820020 NTWSWOQSIQFYDX-ZBEGNZNMSA-N 340.280 5.134 0 1 EKAF Clc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950034 OPVHFHUHMJRFFM-BUHFOSPRSA-N 346.817 6.179 0 1 EKAF Cc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Cl 587961749 PEXDOSAYWUNJFX-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2c(C)c(Br)cnc2[nH]1 587969251 XGIAHDSBSGPBGC-DHZHZOJOSA-N 334.261 5.179 0 1 EKAF CC[C@H](c1ccc(C)cc1)[C@]1(CC)N[C@H]2CC[C@@H]2c2ccc(OC)cc21 962999570 YORUPXGPGYPZPY-HTDNTCHWSA-N 349.518 5.652 0 1 EKAF COc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccccc4)cc3c2)cc1 1857614593 POJKKRZQEOSASA-UHFFFAOYSA-N 341.410 5.713 0 1 EKAF CC(=O)OCC=C(C)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356571633 XAYGDGVRGSNBDV-NMIHRBCNSA-N 332.528 6.075 0 1 EKAF COc1ccc(C(=O)[C@@]2(C)C=C(c3ccc(OC)cc3)[C@H](C)C2)cc1 8682276 ZEAIBWYHGRCZBA-IVZQSRNASA-N 336.431 5.016 0 1 EKAF Clc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnco1 13490392 ZHNNIOXUWJANIN-UHFFFAOYSA-N 337.766 5.394 0 1 EKAF Cc1cccc2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586991050 QMKKZDJPHUOBOT-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF Fc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062746 KKYBHRZVNCZWQT-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF Cc1c(-c2nc3cccc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075566 IKLBRXUYKRNMPU-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF Fc1c(F)c(F)c(/C=C\c2nc3cccc(Cl)c3[nH]2)c(F)c1F 587131909 FZFXAGOROOVGEZ-PLNGDYQASA-N 344.670 5.082 0 1 EKAF Fc1ccc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(F)c1 587151262 XYLCEULDJPVJCH-DUXPYHPUSA-N 342.242 5.169 0 1 EKAF C[C@H](CC1CCCCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526854 UFLKTZCDVHFCEC-QVKFZJNVSA-N 326.480 5.506 0 1 EKAF O=C(c1c(-c2cccs2)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629276 HXGKOITYSWKZFP-UHFFFAOYSA-N 329.730 5.137 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)cc3)c2c1 587641571 MOVQQZNFKFGPRN-LLVKDONJSA-N 327.811 5.700 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(C(=O)C(F)(F)F)c2c1 587642084 OGKXKQCIMKFVJJ-SNVBAGLBSA-N 325.374 5.724 0 1 EKAF Fc1ccc(-c2c3c(nc4cccnc24)-c2ccccc2OC3)cc1F 1857550593 FGAFJLXPQJUPII-UHFFFAOYSA-N 346.336 5.134 0 1 EKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccccc3)c(CC(=O)O)n2C1 4811 RMHNDOZURGDZGE-UHFFFAOYSA-N 345.442 5.032 0 1 EKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)[C@@H](C)C2(C)C 13742675 KNVNYVWRFXGLRO-MRXNPFEDSA-N 348.486 5.960 0 1 EKAF CO[C@@H]1CCC(=O)C2=C1O[C@]1(C)CC=C([C@@H](C)CCC=C(C)C)[C@@H]1C2 14825300 KTFDSGHEJVHEAB-FZDNCAFZSA-N 344.495 5.126 0 1 EKAF biogenic CCCCCCOc1ccc(C(=O)CCNc2ccccc2)cc1 43059157 FDHFMTGLJWTADB-UHFFFAOYSA-N 325.452 5.331 0 1 EKAF C[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C)N23)=C2CCCN(C)[C@H]2C1 135874972 ALCQTKOVSOCZKP-KOVPLRSCSA-N 344.587 5.239 0 1 EKAF CCC[C@H](Nc1cncc(-c2cc(C)c(O)c(C)c2)c1)c1ccccc1 136326340 BLCIKWGCXHAVKN-QFIPXVFZSA-N 346.474 6.024 0 1 EKAF CC[C@H](C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)OC 238738906 CKMWUCWNXKEVER-VLWQACTDSA-N 338.532 5.525 0 1 EKAF CC/C=C\C/C=C\C/C=C/C=C/[C@H](O)C/C=C\CCCCCC(=O)O 238759213 MGUZOUCQDDHSGO-GNVGOTAKSA-N 346.511 5.744 0 1 EKAF CC(C)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 238776833 OJVIYCAZGUZRNQ-BUWCKPMYSA-N 330.512 6.629 0 1 EKAF CC(C)c1c(Oc2ccccc2)cc(CCc2ccccc2)nc1O 299819286 BNZDDDKUKQLWNN-UHFFFAOYSA-N 333.431 5.488 0 1 EKAF Cc1c[nH]c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096374 IVWNUKAXXNTIPH-UHFFFAOYSA-N 338.410 5.367 0 1 EKAF CCOc1cc(/C=C\c2nc3ccc(C)cc3[nH]2)ccc1OC(F)F 587130009 IWGLEIDSMVROTM-TWGQIWQCSA-N 344.361 5.042 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc3nc(C)ccc3c2[nH]1 587156231 QWBOBKMDWXMPIW-QGZVFWFLSA-N 335.382 5.089 0 1 EKAF Cc1ccc([C@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587208377 UXGKZCUMGIVPOF-LJQANCHMSA-N 347.417 5.443 0 1 EKAF COc1cc2c3c(c1)O[C@]1(CCCCCC14CCCCC4)[C@@H](C2)C3=O 587447189 NBMLNJPANWKVKR-HTAPYJJXSA-N 340.463 5.096 0 1 EKAF Cc1nc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587535252 JZLPBRYKKLVYAE-LJQANCHMSA-N 349.455 5.190 0 1 EKAF CC(C)CCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811742 HASIXDXTKOHSTN-SJKOYZFVSA-N 342.296 5.164 0 1 EKAF COc1cccc(C2(c3nc4cc(Cl)cc(F)c4[nH]3)CCCC2)c1 587929908 AIPPKPMWEJBTHP-UHFFFAOYSA-N 344.817 5.224 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(C)(C)C)c2[nH]1 587952435 QTJGVWUMDYOIFK-DAYGRLMNSA-N 328.500 5.907 0 1 EKAF Fc1cnc(Cl)c2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587959887 XGXYKMPXUBPYQZ-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF COc1ccc2c(c1)[C@@]1(CC[C@H](c3ccccc3)C1)N(C(C)C)CC2 962096196 XLYYTZRDGPMPHZ-REWPJTCUSA-N 335.491 5.125 0 1 EKAF CCc1cccc(C)c1Nc1nc(-c2sc(C)nc2C)cs1 1857557201 STEKZMXUKSKLAZ-UHFFFAOYSA-N 329.494 5.498 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C 2356657134 VYSMXKSBLCBXET-SYYKKAFVSA-N 344.495 5.256 0 1 EKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 5551245 ZJNVIVRSORGHEF-JKSUJKDBSA-N 342.523 6.821 0 1 EKAF CC1(C)CCC(C)(C)c2cc(CNc3ccc(C(=O)O)cc3)ccc21 13558482 ZONOWDVIRCJSQT-UHFFFAOYSA-N 337.463 5.346 0 1 EKAF Cc1c(CSc2nc3ccccc3s2)cccc1OCC(C)C 27430230 WPNGBGRQGTXZJJ-UHFFFAOYSA-N 343.517 5.932 0 1 EKAF Fc1ccc(-c2[nH]c(/C=C/c3ccccc3)nc2-c2ccncc2)cc1 27524692 PXRMXOYBBUMASU-IZZDOVSWSA-N 341.389 5.448 0 1 EKAF COCCOc1cc(/C=C\c2ccc3ccccc3c2)ccc1OC 28112479 UXUFVXFITSTOBW-FPLPWBNLSA-N 334.415 5.044 0 1 EKAF Cc1ccc(Oc2cc(Cl)c(C)cc2CC(=O)O)c(Cl)c1 28766439 MTQXLJIEJMOANX-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF Clc1ccc(-c2nc3n(c2-c2ccc(Cl)cc2)CCS3)cc1 34079695 ZZMHJXQBTKLHNJ-UHFFFAOYSA-N 347.270 5.630 0 1 EKAF COC(=O)[C@@H](C)/C1=C/C=C(\C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1 39005944 RINNRXYTVAOICT-KKOLDALPSA-N 332.484 5.126 0 1 EKAF Cc1ccc(Nc2nnc(-c3cccc(Cl)c3)c3ccccc23)cc1 95594013 IFQVEZZOCVIHNR-UHFFFAOYSA-N 345.833 6.002 0 1 EKAF Cc1cccc(CNc2nc(-c3ccccc3C(C)C)ncc2C)c1 169304933 HEBLAQPNWCDYJV-UHFFFAOYSA-N 331.463 5.496 0 1 EKAF COC(=O)CCCCCCCCCCCCCCCOC(C)=O 205682508 VFDICBKWALUJNH-UHFFFAOYSA-N 328.493 5.184 0 1 EKAF CCCCCC[C@H](CCCCCCCCCCCC(=O)OC)OC 238765471 NTXWXIDJJWDEEK-HXUWFJFHSA-N 342.564 6.436 0 1 EKAF c1ccc2c(OCCCOc3ccc(-n4cccc4)cc3)cccc2c1 473115906 VNFJLGVMDZLXAP-UHFFFAOYSA-N 343.426 5.478 0 1 EKAF Cc1c(F)ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587162981 FEQBDTPAYNYQJQ-UHFFFAOYSA-N 326.371 5.545 0 1 EKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 587242405 UZLCXOAQPNBAFQ-UHFFFAOYSA-N 341.842 5.258 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Cc1cccc(C(F)(F)F)c1 587624685 RKBJYKZMSAKGQW-UHFFFAOYSA-N 337.772 6.048 0 1 EKAF Cc1cc(Cl)cc2c(NC(=O)OC(C)(C)C)c(C3CCC3)[nH]c12 587627440 WIAIAIFSGGXBCU-UHFFFAOYSA-N 334.847 5.744 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)cc1O 587787197 RKKLQILPADIDCB-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC[C@H](C)C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814584 UMQRSYCVXHDXLT-PRXAMGSTSA-N 342.296 5.164 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(F)(F)F)c2[nH]1 587952252 NJXNFLCHVHMTAX-ZOWXZIJZSA-N 340.389 5.628 0 1 EKAF Cn1c([C@H]2NCCc3cccc(-c4ccccc4)c32)cc2ccccc21 962664006 FMTAWNVTEJDYBA-XMMPIXPASA-N 338.454 5.080 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2ccc(F)cc2F)N1 962949353 LTPGKZWHQKOPDA-QKKBWIMNSA-N 340.417 5.024 0 1 EKAF Cc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cccs2)cc1 1772590668 PWZOWRNJWLJVFK-KNQAVFIVSA-N 326.486 5.095 0 1 EKAF C[C@@H]1CCC[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857764340 WFCZOYREXFSPGA-NXEZZACHSA-N 342.386 5.080 0 1 EKAF O=C1c2ccccc2/C(=C\c2ccc3[nH]ccc3c2)N1c1ccccc1 61969094 WFJXRUVCBUEDGT-PXLXIMEGSA-N 336.394 5.326 0 3 EKAF O=C(/C=C/c1ccccc1)OCc1cccc(Oc2ccccc2)c1 1932692 AFTBYVPUGZGHAX-CCEZHUSRSA-N 330.383 5.236 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C\1C(C)C 13884421 NQBWCMIADAARIG-NDMPPUERSA-N 330.512 6.304 0 1 EKAF COc1cccc2c1nc(C)c1c(C)cn(-c3ccc(F)cc3C)c12 26673040 AQFASXWEBHLRHS-UHFFFAOYSA-N 334.394 5.252 0 1 EKAF COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OCCC(C)C 29316057 FIQLFYWBMZVRQO-YNYWGXEKSA-N 338.532 5.700 0 1 EKAF CCCCc1ccc(CCc2ccc(O)c(OC3CCCCC3)c2)o1 85624489 YWNDOWUMAWGFGT-UHFFFAOYSA-N 342.479 5.825 0 1 EKAF biogenic,in-vitro C[C@@H]1C[C@@H](C(F)(F)F)c2c([nH]c3cc(Cl)c(Cl)cc23)[C@@H]1O 205256524 GBUNMTKFVRTLSV-CUWICDTDSA-N 338.156 5.194 0 1 EKAF CC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354820 OUQMRHXNAVNXAT-TZIWHRDSSA-N 342.410 5.085 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)C3)c1 587365123 FBLVKIGHDKBKEU-CYBMUJFWSA-N 329.399 5.391 0 1 EKAF C[C@@](Cl)(c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499019 QHTMWQAOQQFXOB-PZJWPPBQSA-N 340.850 5.053 0 1 EKAF Cc1ccc(C[C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524678 PSWWSZAMFRYAPW-DEOSSOPVSA-N 348.486 5.477 0 1 EKAF CC(C)(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524690 MAYNVQMWDPKFMO-GOSISDBHSA-N 334.459 5.267 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc(Cl)cc1 587628556 NWUCOVLIAXXDGF-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF C[C@@H]1CCCC(C)(C)[C@]12c1ccsc1CCN2Cc1cccn1C 962369345 CXYRNNHHSDQIBL-IIBYNOLFSA-N 342.552 5.186 0 1 EKAF CC(C)=CCOc1cccc(NC(=O)Nc2ccccc2Cl)c1 1772652763 OYCSUFCLUHGTFA-UHFFFAOYSA-N 330.815 5.329 0 1 EKAF Oc1ccccc1C1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 4122082 AGJRUAINHNBCBE-UHFFFAOYSA-N 330.362 5.177 0 1 EKAF CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=S)[nH]c1C 13826403 LSDYBXHTYOZVST-UHFFFAOYSA-N 332.856 5.195 0 1 EKAF CCOc1cc2ncnc(/C=C/CCc3ccccc3)c2cc1OCC 28951230 TYVCCOFEERYUGD-UKTHLTGXSA-N 348.446 5.073 0 1 EKAF in-vivo Cc1nc2ccc(O)c3c2c(c1[C@H](C)CC(C)C)-c1ccccc1C3=O 586992277 UWOYLVQANSBZJF-CYBMUJFWSA-N 345.442 5.610 0 1 EKAF Cc1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1C 587068614 DBTPCHTXGULOKY-LBPRGKRZSA-N 326.827 5.210 0 1 EKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1 587080524 PVKCCGPDUHBTJM-QMMMGPOBSA-N 342.752 5.070 0 1 EKAF Cc1ccc2c3c(cc(-c4cccc(O)c4)nc13)-c1ccccc1C2=O 587100522 BQWWHHFDUXQQKH-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF Cc1cccc(N)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103090 DNFNAMKYCWSQPX-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587505964 MKHSRJOBBNVUGR-IBGZPJMESA-N 326.823 5.234 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C)c2c1 587643573 VOZOTJOPIYSALJ-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF Oc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784278 OJYIMQARVLMJRH-SDNWHVSQSA-N 342.398 5.018 0 1 EKAF C/C(=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CCCCC1 587969572 ZQRAKMBKZBEESZ-PEZBUJJGSA-N 332.447 6.339 0 1 EKAF CSc1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1 1772597706 FAIFDKLSXLLMOU-UHFFFAOYSA-N 340.451 5.590 0 1 EKAF COC(=O)C1=CCC[C@@H]2C(=CC[C@@H](C)[C@@]2(C)CCc2ccoc2)C1 2356416733 CZVZMXDHIOAILF-QFIXIFRTSA-N 328.452 5.084 0 1 EKAF CC(=O)OC(C)(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 2356439971 JDYQUVYFBYLQIM-WOIUINJBSA-N 330.512 5.827 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@H]1CC3(C)[C@H]4CC12C[C@H]43 2356627844 YGSPCCAAZJHJAH-MFKIIFQUSA-N 330.512 5.208 0 1 EKAF O=C(O)CCCCCCc1ccc(Cc2cnc3ccccc3c2)cc1 1535369 ZOJJDYFJURDQAA-UHFFFAOYSA-N 347.458 5.403 0 1 EKAF Clc1ccc(C2=CCN(CCCCc3ccccc3)CC2)cc1 13447120 PWBCBOHXIIXQMW-UHFFFAOYSA-N 325.883 5.452 0 1 EKAF C[C@@H](OCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 13862284 GYFPJRCBESWMKD-GOSISDBHSA-N 341.470 5.206 0 1 EKAF CON(C)CCCCCCCCCCCCCCc1ccc[n+](C)c1 14885511 IGPKLIHCKGBSEX-UHFFFAOYSA-N 349.583 5.228 0 1 EKAF Clc1cc2c(cc1Cl)[C@H](c1ccccc1)N[C@H]2c1ccccc1 27524250 GLPPHKINSPDIHC-PMACEKPBSA-N 340.253 5.775 0 1 EKAF Cc1cccc(-c2ccc3ncnc(NCc4cccc(F)c4)c3c2)c1 36380644 RSGIMCDZXMQLSM-UHFFFAOYSA-N 343.405 5.356 0 1 EKAF CCc1nc(NC(CC)CC)cnc1-c1ccc(Cl)cc1Cl 72179413 LWGSVRCYJDVBSI-UHFFFAOYSA-N 338.282 5.613 0 1 EKAF Oc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3o2)cc1 73199964 GQPGUGOYNGZEEI-UHFFFAOYSA-N 326.355 5.349 0 1 EKAF c1csc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)s2)c1 225181196 STETYJNCDKMWCW-UHFFFAOYSA-N 329.534 5.535 0 1 EKAF CCCCOc1cc2nc(C3=CCCC3)[nH]c2cc1Br 586885887 XMZQOBPFILHBSW-UHFFFAOYSA-N 335.245 5.072 0 1 EKAF Cc1ccc(CSCCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 586970184 HSTVHKBIVLFTMU-UHFFFAOYSA-N 330.884 5.309 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052869 QQZBOHSFCCEPQG-UHFFFAOYSA-N 349.865 5.972 0 1 EKAF Fc1cc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2cc1Cl 587153110 LNTKBXGEORDQDP-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF Cc1nc2cccc3c2c(c1Cc1ccsc1)-c1ccccc1C3=O 587208752 YSJIXEUAFHHHSK-UHFFFAOYSA-N 341.435 5.407 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c2ccccc12 587515649 NKOCVLNNHGPBGI-NRFANRHFSA-N 345.442 5.072 0 1 EKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587629219 YTXWNYKRQNUORD-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)c(F)c3)c(C)c2c1 587642764 VKRHAZHYSMUWTP-LLVKDONJSA-N 349.371 6.815 0 1 EKAF Fc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1F 587949403 FLJNLPSCUCQOQA-JLHYYAGUSA-N 348.352 5.804 0 1 EKAF Cc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1C 587951178 XHSUBUKDELCOTH-OUKQBFOZSA-N 340.426 6.142 0 1 EKAF Fc1cc(F)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587957001 XVUXXJBUBKVFJE-QGZVFWFLSA-N 334.369 5.216 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1 587960017 UWRGIDTUEHRFIU-UHFFFAOYSA-N 349.437 5.677 0 1 EKAF Cc1cc(Br)cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c12 587968831 GJMDDVXHAHEKPA-VXGBXAGGSA-N 335.289 5.564 0 1 EKAF CC[C@]1(c2ccc(O)cc2C)NCCc2cccc(-c3ccccc3)c21 962662580 DVZFTLLFRAQENY-XMMPIXPASA-N 343.470 5.167 0 1 EKAF Cc1[nH]c2ccc(-c3ccccc3)cc2c1C[C@H](N)c1ccccc1 1857537924 RHGGUKIEAINQJX-QFIPXVFZSA-N 326.443 5.386 0 1 EKAF CC(=CC=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 2356692292 QISFQSCEYMPVBC-DUXKGJEZSA-N 326.480 5.650 0 1 EKAF CCCCc1cc(-c2ccccc2OCc2ccc(OC)cc2)no1 13536249 QPQGRBMPXQRORB-UHFFFAOYSA-N 337.419 5.272 0 1 EKAF CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)C(C)C)c(O)c1C 13650340 ULIWXXZCZLMQBU-XNTDXEJSSA-N 346.467 5.316 0 1 EKAF biogenic,in-vitro CCCCC(=O)C[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757308 SFUGXCOLPJWSGY-YADHBBJMSA-N 340.463 5.525 0 1 EKAF CCCCCC[C@H](C/C=C/CCCCCCCC(=O)O)OC(C)=O 59845741 OZNJPDLVWMTLKB-YFPIXMDGSA-N 340.504 5.650 0 1 EKAF Oc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1 66100582 UUOAAGDQRNIMNN-UHFFFAOYSA-N 328.367 5.291 0 1 EKAF Clc1cccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)c1 72115071 HWWHKICIRJKDOX-HXUWFJFHSA-N 349.865 5.139 0 1 EKAF O=C(O)/C=C/CCCCCCCCCCCCCCCCCO 143093236 RMDYFFMMLMZFSY-FBMGVBCBSA-N 326.521 5.861 0 1 EKAF in-vitro CC(C)CCC[C@H](C)CCC[C@@H](C)CCOc1ccc(C(=O)O)cc1 169336663 WERASHDCYFCSIE-RBUKOAKNSA-N 348.527 6.423 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2n1 587062880 BZMQOMQTUWLPBB-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF Cc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C 587125509 REXIXPSZHDUVCE-YVMONPNESA-N 348.393 5.962 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3CC4CCC3CC4)nc3cccc1c23 587208710 YGIWCYKNFBNOPX-ZOJXTTQQSA-N 339.438 5.740 0 1 EKAF COc1cccc(-c2cc(-c3cn[nH]c3)nc3c2oc2ccccc23)c1 587362772 KBBHZDIWDMETOQ-UHFFFAOYSA-N 341.370 5.047 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)C)cc1)CC2=O 587491607 XOLVUYQOGYWMJE-JOCHJYFZSA-N 338.447 5.349 0 1 EKAF CC(C)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533897 YISAEBHLZAOYOV-HXUWFJFHSA-N 326.461 5.144 0 1 EKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc(F)ccc12 587632487 FPXWKVUCPCVWOI-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF CCC(CC)(CC)[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962697698 HQZUCBZKPNWCBS-BEFAXECRSA-N 335.532 5.447 0 1 EKAF CC(C)CC[C@H]1C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857560954 IMISRKLLHXNIPO-MRXNPFEDSA-N 328.843 5.556 0 1 EKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(C(=O)OCC)[nH]1 1857643152 YNCDTUWATWJQPC-UHFFFAOYSA-N 343.467 5.092 0 1 EKAF CC[C@H](CC=CCCC(=O)O)CCCCCC[C@@H]1C=C(CCN)CC1 2356565797 LSOXKPCHPZASBZ-PMACEKPBSA-N 349.559 5.850 0 1 EKAF O=C1c2c(Cl)cc(Cl)cc2OC[C@@H]1Cc1ccc(Cl)cc1 3637253 RRICXSUQKJIROQ-JTQLQIEISA-N 341.621 5.081 0 1 EKAF Clc1ccc(C[C@H](Cn2ccnc2)c2ccccc2Cl)cc1 5386096 BWJJILLEXQJLOI-OAHLLOKOSA-N 331.246 5.216 0 1 EKAF CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCC1CCCCC1 13600226 DSZMSGNMBKTZOU-XMMPIXPASA-N 346.518 5.980 0 1 EKAF O=C(O)CCCCCCc1ccsc1CCCc1ccccc1 13726604 QZWPFJDJIUNWMQ-UHFFFAOYSA-N 330.493 5.501 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C=O)c1O 15118135 ZNGAIWWFPJJNSV-XURGJTJWSA-N 342.479 5.872 0 1 EKAF Cc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1[C@@H](C)O 84634186 RUVLIPXHIOLFFG-CYBMUJFWSA-N 326.421 5.041 0 1 EKAF COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc2ccccc2c1 90556567 IBJNMFUKNZKLQY-LJQANCHMSA-N 341.347 5.436 0 1 EKAF C/C(=C/CC[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 100781941 ISBNMFLPVWHCIH-PRRDCMIUSA-N 338.491 5.181 0 1 EKAF endogenous,in-man Clc1cccc2c1CCN=C2c1sc2ccccc2c1Cl 144710755 DAFWDVUQFIMZFW-UHFFFAOYSA-N 332.255 5.602 0 1 EKAF CC[C@H](C)CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C 238734101 HVFSYEGBXBJANJ-PVEJYSLZSA-N 346.467 5.247 0 1 EKAF Cc1cc(F)c2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc2c1 586895950 CYYNEFGQRWZQSR-UHFFFAOYSA-N 326.415 5.630 0 1 EKAF Cc1cc(F)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083305 NEQGAAKKKQGCKZ-UHFFFAOYSA-N 346.192 5.532 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587086148 UQEULSOQYJRZHN-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF Cc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1C 587145920 VRNGGMWJOQYKSA-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF CC(C)(C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208702 YDWQRXZTPDMWDI-AWEZNQCLSA-N 341.454 5.597 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1OCC3 587209867 VPGGRBKUGYHUCG-UHFFFAOYSA-N 349.389 5.048 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244646 QKOWPYDWNRJJKR-UHFFFAOYSA-N 341.414 5.099 0 1 EKAF O=C(c1cc(Cl)nc(Cl)c1)c1coc2ccc(Cl)cc12 587278416 MLCRHCZBDCGQFW-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C[C@H](C)CCC=C(C)C)CC2=O 587478527 GKEKABOOMPHTJS-CVEARBPZSA-N 330.468 5.451 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C)c1ccccc1)CC2=O 587491271 VLGVQMBRHVQTPG-OYHNWAKOSA-N 338.447 5.262 0 1 EKAF CCO[C@@H](C)c1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2N)cc1 587627451 WTVFASLUXSEOGH-LBPRGKRZSA-N 328.843 5.476 0 1 EKAF Cc1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587785256 ZUTWJXDUSYCMKS-XFXZXTDPSA-N 341.414 5.016 0 1 EKAF COc1cc(C)ccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587925879 RXEDEPQBDFHVGU-UHFFFAOYSA-N 338.354 5.159 0 1 EKAF CCOc1ccc2nc(Nc3ccc(C(=O)C4CC4)cc3)sc2c1 1857558957 LEEPYMOMVCQKAF-UHFFFAOYSA-N 338.432 5.031 0 1 EKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 2356313272 VJQJLWQXARUKBF-FEIBYLFLSA-N 332.528 5.249 0 1 EKAF C=C(O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@@H]1C)C(C)=CC 2356451346 CKHQIEOHUNQMAA-BIZBWFBWSA-N 330.468 5.095 0 1 EKAF COc1ccc([C@H](O)c2nc(-c3ccc4ccccc4c3)cs2)cc1 61930040 NYBDIOKMCJVDEH-FQEVSTJZSA-N 347.439 5.054 0 3 EKAF Cc1ccc2c(c1)[C@@H](OC1C[C@@H]3CC[C@H](C1)N3C)c1ccccc1C=C2 3636011 UOOYAPDETFUJIV-JZVYOAODSA-N 345.486 5.210 0 1 EKAF biogenic CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)OCC 13507196 SNXPWYFWAZVIAU-MGCRXFEJSA-N 332.528 6.695 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 13829934 IRFOEHYGMSKERJ-MZTRBVECSA-N 349.449 5.046 0 1 EKAF C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(N)=O 26169715 HLAHKJCIDDZQCW-OZSJGBHKSA-N 327.512 5.950 0 1 EKAF Cc1ccc(C)c2oc(-c3ccc(-c4cccc(C(=O)O)c4)[nH]3)cc12 29417410 IGSJIJYFOFDWMU-UHFFFAOYSA-N 331.371 5.410 0 1 EKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(Cl)cc2)cc1 40865669 FZNOCGAENRTENG-LJQANCHMSA-N 326.827 5.055 0 1 EKAF C[C@H](c1ccccc1)N1COc2ccc3c4ccccc4n(C)c3c2C1 49807657 FPNINIRFPUYKJV-MRXNPFEDSA-N 342.442 5.245 0 1 EKAF C[C@@H](NCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72141013 QRIWCNROCPSQGA-MRXNPFEDSA-N 328.415 5.346 0 1 EKAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 84672334 DFXPIMWGGIKCJK-MOXQZVSFSA-N 344.539 5.993 0 1 EKAF CSc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 222388335 HRQMLJLMKYCWBY-UHFFFAOYSA-N 344.443 5.157 0 1 EKAF CC(C)(C)C1=NN(c2ccc(O)cc2)[C@@H](c2ccc(Cl)cc2)C1 299825867 COTVIBHQKUDHQU-QGZVFWFLSA-N 328.843 5.399 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586963151 LBVIWUWREWLNNX-VIFPVBQESA-N 338.263 5.259 0 1 EKAF Cc1cc(C)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587016953 FSYPPQZIDYIOAW-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587151660 ULXDRNOGNVUHTM-ZETCQYMHSA-N 343.160 5.288 0 1 EKAF O=NCc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587190868 UEBBEINYXBCYGI-UHFFFAOYSA-N 337.326 5.108 0 1 EKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12)C(F)(F)Cl 587633958 QICTZOHCJNYFNA-UHFFFAOYSA-N 341.691 5.127 0 1 EKAF CC(C)Oc1ccccc1-c1nc(-c2cccc(Cl)c2)cs1 587920067 CLORFUHRVRBXBU-UHFFFAOYSA-N 329.852 5.918 0 1 EKAF Fc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c1F 1772605635 SZRXKUUBLITUHG-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF Cc1cc(O)cc(Oc2cc(C)cc3c2[C@H]2OCc4cccc(c42)O3)c1 2356795100 IHUJLEMEKZVBBZ-QFIPXVFZSA-N 346.382 5.527 0 1 EKAF CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C 13765090 KSSLWRODFWYIQS-OAHLLOKOSA-N 332.447 5.081 0 1 EKAF CC1(C)[C@H](c2ccccc2)[C@@]12CC[C@]1(C2=O)[C@H](c2ccccc2)C1(C)C 17196067 KXLWBFPVIVAVFT-GCYXNMHMSA-N 344.498 5.969 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26169119 ANAMDWGJXBYJEB-SOOCPFIJSA-N 326.480 5.032 0 1 EKAF CN1CCC2(CC1)CN(c1ccccc1Cl)c1cc(Cl)ccc12 28094583 QHFWGPNLLRPTQS-UHFFFAOYSA-N 347.289 5.109 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@H]2CC[C@@H]1N2C 36270707 RBRMVWHMOIEQRO-DCHFCWSPSA-N 349.518 5.509 0 1 EKAF CCCCNc1ccc(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64549935 IHDOHPDFXOSESA-MOPGFXCFSA-N 327.855 5.538 0 1 EKAF CN(C)C[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 66100376 WUSGTAILSJGBRD-DYVFJYSZSA-N 334.290 5.249 0 1 EKAF Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc32)cc1 95580373 NVOWNIGGPNJGNW-UHFFFAOYSA-N 331.371 5.576 0 1 EKAF CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103180405 MOWUBBASQFHKFV-IBGZPJMESA-N 340.463 5.291 0 1 EKAF CC1(C)[C@H](C=C(Cl)Cl)[C@H]1c1nnc(/C=C/c2ccccc2)o1 103275805 LRPNYOLXCZWMGV-XWPAEANOSA-N 335.234 5.299 0 1 EKAF CC[C@@H](O)CCCCCCCCCCCCCCCCC(=O)O 196953489 CIEBCBGYIWYAOJ-LJQANCHMSA-N 328.537 6.084 0 1 EKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3c(C)cccc32)c1 205424118 QBRDVMHLHXIUKB-UHFFFAOYSA-N 340.492 5.518 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 586894834 DWVFIPQOZFYOGX-UHFFFAOYSA-N 328.415 5.006 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cncc(Cl)c2[nH]1 587049126 LJEVGFXXJYCFJX-HTQZYQBOSA-N 338.625 5.189 0 1 EKAF Cc1ccc2c3c(cc(-c4ccccc4O)nc13)-c1ccccc1C2=O 587102327 VWNVGGXHJDAJLK-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF O=NCc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587190075 IZEKXMUYXPZVON-UHFFFAOYSA-N 339.704 5.169 0 1 EKAF CCC[C@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523503 JKSMWCZWUZYFLJ-GCJKJVERSA-N 334.459 5.483 0 1 EKAF CC[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531914 NPBPYBKMFWQEJL-LJQANCHMSA-N 346.879 5.551 0 1 EKAF Fc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783972 KJQRVGIVMYAIHH-KAMYIIQDSA-N 344.389 5.451 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(C)c3[nH]2)cc1 587938319 UWMZFUNALOEXSE-HXUWFJFHSA-N 328.415 5.060 0 1 EKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587950917 HBJIRFLBJKLPQL-UHFFFAOYSA-N 332.325 5.180 0 1 EKAF C=CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 653859694 SWDHNHCJNTZGNK-ACIOBRDBSA-N 339.523 5.123 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc2c(c1)CCCC2 963234757 VRKMYWOJFUNGDI-MHECFPHRSA-N 333.519 5.486 0 1 EKAF Clc1ccccc1NCc1ccc(CNc2ccccc2Cl)o1 1857604424 CMKIYWRXSRTCNP-UHFFFAOYSA-N 347.245 5.811 0 1 EKAF CC(=C[C@@H]1CC(=CCCc2ccco2)CO1)CCCc1ccoc1 2356611176 MUPVGCNZKUSTBT-OAQYLSRUSA-N 326.436 5.490 0 1 EKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1ccccc1OC 205705008 MUMYLTMLKBBKAJ-RVSXGSNBSA-N 347.524 5.548 0 3 EKAF CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)CC[C@@H]3CC1CC1 26375811 KBHLDRNNQQQZDC-OPAMFIHVSA-N 339.479 5.530 0 1 EKAF C[C@H](Cc1ccccc1)N(CCCc1ccccc1)Cc1ccccc1 28230634 LDMUSQATIXFDOE-JOCHJYFZSA-N 343.514 5.753 0 1 EKAF CCOC(=O)[C@@H](C)c1ccc(NCCCc2ccc(Cl)cc2)cc1 29205165 FMXLWXDIWBECFW-HNNXBMFYSA-N 345.870 5.051 0 1 EKAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)nc1OC 38442321 SGWCQHAEPZTCEF-UHFFFAOYSA-N 341.499 5.012 0 1 EKAF CCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45201418 ZDJZXSSMWJDRFE-UHFFFAOYSA-N 327.431 5.006 0 1 EKAF CCCCCc1cc2c(c(SC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45368756 JZZNBOHHRBHVLJ-QZTJIDSGSA-N 344.564 6.752 0 1 EKAF CCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)C(=O)CC 59903128 FHERSMHWJQVOBK-QZTJIDSGSA-N 342.520 5.118 0 1 EKAF Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCC1 117662236 JFXFRWXPDOGEDC-UHFFFAOYSA-N 346.261 5.663 0 1 EKAF COc1c(C)c(C/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC 136924569 DMKBVXVVMIVZIN-NTCAYCPXSA-N 348.483 5.265 0 1 EKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587196565 VXZXHRVVSAUTHF-SNVBAGLBSA-N 334.250 5.088 0 1 EKAF FC(F)(F)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Cl 587210128 GBCXULYRKRIFOX-UHFFFAOYSA-N 333.740 5.673 0 1 EKAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCCC(C)C 587211408 FMSVZDIAEYJSTQ-UHFFFAOYSA-N 347.458 5.434 0 1 EKAF Cc1cc(C)c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c2c1 587527742 WNLMEDWPDAHZBT-JOCHJYFZSA-N 345.442 5.370 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587642804 QJDXSDGFQJPXKE-CYBMUJFWSA-N 339.410 5.664 0 1 EKAF CCOc1ccccc1[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962662862 GHHFNQODOZFLEN-DEOSSOPVSA-N 343.470 5.162 0 1 EKAF C=C(c1ccc2c(c1)c1ccccc1n2C)c1nc(C)nc2ccccc12 1857575087 AQNMZGAHHAJLOJ-UHFFFAOYSA-N 349.437 5.645 0 1 EKAF C=CC(C)=CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356510323 VJDJSELBAMIXHE-KCZVDYSFSA-N 330.512 5.851 0 1 EKAF OC1(C(Sc2ccccc2)Sc2ccccc2)CCCCCC1 1618019 PTKNMXCKRDXEJF-UHFFFAOYSA-N 344.545 5.982 0 1 EKAF COc1ccc(CNc2ccccc2CCc2cccc(OC)c2)cc1 29135597 DFVRBLCXTZXAOY-UHFFFAOYSA-N 347.458 5.101 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc2c(c1O)C[C@@H](CC=C(C)C)C(C)(C)O2 36375242 QUFMMGVKRWKOGH-ZIAGYGMSSA-N 346.467 5.013 0 1 EKAF c1ccc2c(c1)CCN(Cc1coc(-c3cccc4ccccc34)n1)C2 72181844 RXNIVDBHKOBJFU-UHFFFAOYSA-N 340.426 5.053 0 1 EKAF Cc1ccc(NC2=NN=Cc3cc4cccc(C)c4nc3S2)c(C)c1 98083874 HUXPELUXINWQKI-UHFFFAOYSA-N 346.459 5.068 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C1=CC(=O)O2 257413072 FCFUSYHGZLEMJM-DLJRUUGSSA-N 346.511 5.123 0 1 EKAF endogenous,in-man CC(=O)c1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 586881859 ZVZUBVJHTYICFF-UHFFFAOYSA-N 330.362 5.239 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586963064 JLRBRAPOHZZUFM-JTQLQIEISA-N 337.275 5.864 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cnccc4[nH]3)c(Cl)c2)cc1F 587145886 UKYQASGWEWQSGL-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF C[C@@]1(CCCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499886 NPYNACUJULUELB-QGZVFWFLSA-N 326.358 5.022 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccc(F)cc12 587507483 MXESUVOCBYINEV-HXUWFJFHSA-N 349.405 5.201 0 1 EKAF CC(C)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526183 RNSALAHOMNKFJV-RDPSFJRHSA-N 346.470 5.569 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3ccco3)c(-c3ccccn3)[nH]c12 587627257 RAFYHCXUHYPTHS-UHFFFAOYSA-N 336.778 5.016 0 1 EKAF CSc1ccc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 587924780 IRYZECHBZCIHKZ-UHFFFAOYSA-N 349.484 5.385 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)cc(C)c3[nH]2)cc1 587960316 ZEQQSFFJWSTRCJ-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF CSc1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653707176 PNTBEGHDHOWDKY-UHFFFAOYSA-N 338.453 5.474 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2C3)c1 653731196 DXQQYHFVQVZODP-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@@H]2c1ccc(CC(C)C)cc1 653835877 SVWXRVFXKUERQE-QMHKHESXSA-N 333.475 5.656 0 1 EKAF C=C(c1ccc2c(ccn2C(C)=O)c1)c1cc(C)nc2ccccc12 1857596688 UUUSBXAWIFLUHO-UHFFFAOYSA-N 326.399 5.220 0 1 EKAF CCCCCC=CCC=CCC=CCCCCCCCC(=O)OC 2356308841 DFSWFXPNIBXIRK-UHFFFAOYSA-N 334.544 6.919 0 1 EKAF COc1cc2c(c(OC)c1C(C)C)CC[C@H]1C(C)(C)C(=O)CC[C@@]21C 2356434666 AFQBYPPKKHHGNA-JTSKRJEESA-N 344.495 5.036 0 1 EKAF C/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCS2 5132292 IHZBEOZNOCNBRM-OWBHPGMISA-N 338.472 5.719 0 1 EKAF O=c1[nH]c(CCC[C@H]2CC=C(c3ccccc3)CC2)nc2ccccc12 13581565 ATCYMNXIYDUNDJ-KRWDZBQOSA-N 344.458 5.130 0 1 EKAF CC(=O)OC(C)(C)[C@H]1CC[C@@]2(C)/C=C/[C@H](C)CC/C=C(\C)CC[C@H]12 15146761 VIHYBRGBRJAHDB-RHRIHPIBSA-N 332.528 6.073 0 1 EKAF CC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638941 OSXOPUBJJDUAOJ-GDKKDORTSA-N 344.495 5.760 0 1 EKAF endogenous,in-man Cc1cc(C)cc(-c2ccc(C(C)(C)CCCCC(=O)O)cc2O)c1 28822097 OFDXMJFVMFOXTK-UHFFFAOYSA-N 340.463 5.599 0 1 EKAF CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)OC 34203046 LVROTUSMCTWPNI-NTDAYINTSA-N 334.500 5.276 0 1 EKAF Cc1csc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 103205139 CKPIBKBWQTXCRZ-CQSZACIVSA-N 341.867 5.005 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)cnc2[nH]1 587073360 CXSWWGXUOZCIEV-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1c(-c2nccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100785 AEKHNZIYKHUPLQ-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)nccc3[nH]2)cc1 587164883 YBSJGNUHDHRYTN-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Oc1ccc2c(c1)-c1nc3cccc4c3c(c1C[C@@H]2c1ccccc1)CC4 587215349 GNTRQYBUCDVMJT-HXUWFJFHSA-N 349.433 5.394 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(F)cc3)c1)O2 587384027 JBPNWILVNCHWRA-OAQYLSRUSA-N 347.389 5.090 0 1 EKAF CC(C)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521941 GRYRDOLUSFVFBG-XMMPIXPASA-N 348.486 5.558 0 1 EKAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628546 NPGVAEJQQUVQEH-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C)c2c1 587642656 UHMWTOCLUJVZJZ-NSHDSACASA-N 332.274 6.964 0 1 EKAF CCO[C@@H]1C[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)C=C1C(C)C 2356466073 SEYOTWWUZJJIRX-PIBZIWMISA-N 346.511 5.221 0 1 EKAF Cc1ccc2cc3cc(C(=O)Nc4ccccc4F)sc3nc2c1 428300 NWAULSGENSWVTF-UHFFFAOYSA-N 336.391 5.149 0 1 EKAF CCCC/C=C/CCCCCCCCCCCc1cc(O)cc(O)c1 5972878 KDUIMXINOLVPCT-AATRIKPKSA-N 346.555 7.288 0 1 EKAF biogenic,in-vitro O=C(NCCCCCCc1ccccc1)SCc1ccccc1F 96269589 UHUVJMZFLFMMLG-UHFFFAOYSA-N 345.483 5.572 0 1 EKAF CC(=O)Oc1c(C)c2c3c(c1O)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@H]2C=C(C)C 166777536 NLMOHWIGMGUSPG-WRFANHODSA-N 342.479 5.696 0 1 EKAF Fc1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1Cl 587073391 DPSYPPUVHMPNPC-UHFFFAOYSA-N 335.209 5.479 0 1 EKAF Fc1ccc(/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)c(F)c1 587147693 AUADEIRIIGIOLU-RQOWECAXSA-N 325.145 5.318 0 1 EKAF Cc1c(F)ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150429 POUIAQOKKKTOQI-FQEVSTJZSA-N 349.384 5.351 0 1 EKAF Cc1ccc2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587208792 ZIPBTNKPZQIOCO-UHFFFAOYSA-N 333.390 5.326 0 1 EKAF C[C@H]1CC(C)(C)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208798 ZLKXBJAXWXVBMR-ZDUSSCGKSA-N 327.427 5.522 0 1 EKAF CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)c1coc2ccccc12 587281033 QHIZOTPWPLAJMO-HNNXBMFYSA-N 349.213 5.780 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC=C(c3ccccc3)CC1)CC2=O 587487053 YSTKMBVWFMMJJB-QHCPKHFHSA-N 348.442 5.316 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)CC1CCCCC1)CC2=O 587491660 YCHFYYSHQXJFPT-JLTOFOAXSA-N 330.468 5.285 0 1 EKAF CSc1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1 587925882 VJVSMSBWSWCJAF-UHFFFAOYSA-N 349.883 5.915 0 1 EKAF C[C@@H]1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3[C@H](C)[C@@H]12 1772615592 MWEAKHOVJKHXJC-ZUVUYASXSA-N 335.447 5.718 0 1 EKAF C[C@@H](C(=O)c1ccc(NCc2ccccc2)cc1)c1ccccc1F 1857646573 LXNVPVUPIABPBB-MRXNPFEDSA-N 333.406 5.424 0 1 EKAF CCCCCC[C@H](C)[C@@H](CCCCCCCCCC(=O)OC)OC 2356718897 JMGFGJQRZFQSDX-VQTJNVASSA-N 342.564 6.292 0 1 EKAF O[C@@H]1c2ccccc2CC[C@@]1(/C=C/c1ccccc1)Cc1ccccc1 71334471 WHLQSFMFSZFEKH-UAELMMTNSA-N 340.466 5.609 0 1 EKAF CCCC(CNC1=NCCCCC1)(c1ccccc1)c1ccccc1 135942428 LSODECUAIDGDSR-UHFFFAOYSA-N 334.507 5.335 0 1 EKAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 153041926 HACHLIKPIMANLR-JIYAONLRSA-N 345.571 5.165 0 1 EKAF C[C@@H](C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N=O 169684306 SMYGCCOEFJLMEV-MMIDCPOZSA-N 345.527 5.471 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1F 473249064 SNSPXJPWHYPUIB-UHFFFAOYSA-N 346.833 5.250 0 1 EKAF Cc1c(Br)cc2nc(-c3ccoc3C3CC3)[nH]c2c1C 586901563 NCSNKWYVBVRMOA-UHFFFAOYSA-N 331.213 5.080 0 1 EKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)o1 587102715 ZUOIYMAHNLTIOC-UHFFFAOYSA-N 339.394 5.631 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)c(C)cc4[nH]3)c2)c1 587160333 PDNJCYACKLTBDW-UHFFFAOYSA-N 346.405 5.661 0 1 EKAF CCCn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510624 BSRQJLVFEFCDLX-NRFANRHFSA-N 337.463 5.100 0 1 EKAF CC(C)CC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523181 KBDKWDCBNNOBBR-QFIPXVFZSA-N 328.496 5.752 0 1 EKAF CCCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587926320 WZMHCVWSHGYNPB-UHFFFAOYSA-N 341.501 5.988 0 1 EKAF CCCCCC=Cc1cc(-c2ccc3cc(CO)ccc3c2)ccc1O 1857562416 FROPOKXRACPBTK-UHFFFAOYSA-N 346.470 6.298 0 1 EKAF C[C@H]1CCC[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857764342 WFCZOYREXFSPGA-VHSXEESVSA-N 342.386 5.080 0 1 EKAF C[C@](O)(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61928273 UIBVJRJHLOGFJD-NRFANRHFSA-N 349.430 5.358 0 3 EKAF Cc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12 1909658 VSPGHKYLTWJYMS-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF Cc1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1 14978636 MMIJMYOYKAKQPN-UHFFFAOYSA-N 332.491 5.609 0 1 EKAF in-vivo CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@@H]2[C@H]2CCC3=CC(=O)CCC3=C12 28386704 IZUMHFDUSAWWQU-RTRNUXGRSA-N 342.523 5.360 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCO)CCCC(=O)O 40504795 NFLZCRPSCIQSLW-UHGFVZJOSA-N 348.527 5.825 0 1 EKAF CCC/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 45352550 BQVHFOPMRIIBJO-GMGCKNGESA-N 340.507 5.983 0 1 EKAF O[C@H]1c2ccccc2CC[C@]1(/C=C/c1ccccc1)Cc1ccccc1 71334468 WHLQSFMFSZFEKH-XQAUGZCDSA-N 340.466 5.609 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)C 90427533 FCHAVFLICKAOOF-AIBIWWTJSA-N 331.544 6.220 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)CC1=N2 169722132 GOOKYIJBCRETAO-NHCUHLMSSA-N 332.447 5.240 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3O)[C@]2(C)CCCC=C12 253665579 PFMMKGGPOLDMEE-QEUXJIIKSA-N 344.583 6.507 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cc(F)c(F)cc3[nH]2)cc1F 587145105 HQMQRXOQFJAKRH-UHFFFAOYSA-N 342.295 5.453 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@]1(C)CCC(C)=C(C)C1)CC2=O 587482335 NOYPZBLBROWLCD-PZJWPPBQSA-N 328.452 5.205 0 1 EKAF CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587509715 WJGSKPDXVHODDC-FQEVSTJZSA-N 340.850 5.488 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2cccnc12 587525570 NADDFSAYYFXEGD-NRFANRHFSA-N 343.426 5.129 0 1 EKAF O=C(c1c(C(F)F)[nH]c2cc(F)ccc12)C12CC3CC(CC(C3)C1)C2 587633388 AOTIEDGMVPFPNH-UHFFFAOYSA-N 347.380 5.644 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]21)C3 2356693328 GFQMRZFTUAYSTG-PMHZBBCSSA-N 330.512 5.519 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 13302355 XWVGMPJQSWKTJV-BHDDXSALSA-N 344.495 5.089 0 1 EKAF CC[C@@H](c1ccc(Cl)c(O)c1)[C@@H](CC)c1ccc(Cl)c(O)c1 27655566 NTRNFSBEVFNROP-KBPBESRZSA-N 339.262 6.092 0 1 EKAF Cc1cc(C)c2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1 27658083 FNPPTVNBMCXNAG-UHFFFAOYSA-N 341.410 5.817 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1 28822118 WXRCAYBWSXUGLS-UHFFFAOYSA-N 326.480 6.316 0 1 EKAF in-vivo OCc1ccc(-c2c(Cl)c(Cl)c(O)c(Cl)c2Cl)cc1 29414700 LDQKVDOKIOUUNA-UHFFFAOYSA-N 338.017 5.165 0 1 EKAF Cc1ccccc1-c1nc(CN[C@@H](C)c2cccc3ccccc23)co1 72183561 KMGGHFDTBAVFQY-KRWDZBQOSA-N 342.442 5.654 0 1 EKAF Cc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1 96937387 VUTMYRGGYVAPRP-UHFFFAOYSA-N 333.434 6.759 0 1 EKAF COc1ccc2c(c1)[C@]13CCC[C@H](C)[C@H]1[C@@H](C2)N(C=C1CCC1)CC3 101228270 GXHZDJZDYXULJN-AZIXLERZSA-N 337.507 5.067 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(Cc5ccccc5)nc4c3)ccc21 169330467 DHQZJNHOPSHAGM-UHFFFAOYSA-N 338.410 5.577 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(/C)CCC=C(C)C 213888327 UMIJNJJRYSRDPG-IZNAZMGOSA-N 346.467 5.398 0 1 EKAF Fc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1F 587195724 JCAUPQLLGONEIN-UHFFFAOYSA-N 349.384 5.048 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CCCC[C@@H]1C3 587207437 KSJJHPCBTKZFHF-CABCVRRESA-N 339.438 5.351 0 1 EKAF Clc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587209459 PXBBEECHIVGIPE-UHFFFAOYSA-N 341.841 6.321 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C)ccc1C)CC2=O 587487740 HFFVUJARTLEAEQ-JOCHJYFZSA-N 338.447 5.232 0 1 EKAF CC(C)=CCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812776 KIDZPFQAEFEMME-PXAZEXFGSA-N 340.280 5.084 0 1 EKAF Cc1cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949923 NNBSAUZWRRAISY-VAWYXSNFSA-N 327.387 5.229 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)nc3c2Cc2ccccc2-3)c1 1772650162 SSDRJZKTKAIIIX-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF Cc1cc(C)c([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c(C)c1 61903882 IAQDOSCDNAULRQ-JOCHJYFZSA-N 342.442 5.237 0 3 EKAF CCCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1 13583485 DCGIWCHHBRYVIA-UHFFFAOYSA-N 337.463 5.727 0 1 EKAF C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826835 JSTQBEJYZPIVJU-OAHLLOKOSA-N 331.440 5.620 0 1 EKAF in-vivo O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1ccc(Cl)cc1 34007530 SGNFVZHFDYJMIW-HNNXBMFYSA-N 334.872 5.099 0 1 EKAF CC1(C)C(=C(c2ccc(O)cc2)c2ccc(O)cc2)[C@@]2(C)CC[C@H]1C2 100794291 QAUMFYYKPXCJLD-SBUREZEXSA-N 334.459 5.746 0 1 EKAF Cc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587051701 TXUREGXLKPBODB-UHFFFAOYSA-N 343.213 6.105 0 1 EKAF Cc1ccc2c(ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c32)n1 587073945 ODCSWNRAQCVGIQ-UHFFFAOYSA-N 347.849 5.543 0 1 EKAF FC(F)(F)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079798 HKPFPXBOLOJBQN-UHFFFAOYSA-N 349.743 5.238 0 1 EKAF Clc1ccc2ccn(Cc3nc4cc5ccccc5cc4[nH]3)c2c1 587081742 ZNRWLGXUCUXEFU-UHFFFAOYSA-N 331.806 5.373 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587099887 WUPPVUCCLIDWRN-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(F)c4[nH]3)c2)c1 587160020 CDCOJNITMZBLBP-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF Cc1cc(Cl)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587173356 BWASHNOUWXIFPF-UHFFFAOYSA-N 334.181 5.466 0 1 EKAF CCC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349663 CNJQHWGAPIGORL-WIYYLYMNSA-N 342.410 5.085 0 1 EKAF C[C@@]1(CCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501955 BAIPIODXJKQPGY-JOCHJYFZSA-N 338.422 5.061 0 1 EKAF CSc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533258 VNLNCAXJPUEKEQ-OAHLLOKOSA-N 330.474 5.055 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587930293 NWPJMBBYYULGFC-UGSOOPFHSA-N 346.352 5.036 0 1 EKAF FC(F)(F)Oc1cc2nc(CC3CCCCCC3)[nH]c2cc1Cl 587959982 DELHUEKBHXTTBF-UHFFFAOYSA-N 346.780 5.628 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)cc(-c2cccc(Cl)c2)n1 653738982 FXCHSOZRDNCCMC-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCc1nc2ccc(C)cc2n1CCCSc1ccc(OC)cc1 1857644838 WHSRARXDLGKGGY-UHFFFAOYSA-N 340.492 5.098 0 1 EKAF CCCC[C@@H](CC)COC(=O)C=Cc1ccc(OCOC(C)C)cc1 2356655436 FTHDDKHVYWOPSJ-GOSISDBHSA-N 348.483 5.221 0 1 EKAF CC(=O)O[C@@H]1CC[C@](C)(O)C=C[C@@H]2CC[C@H](C(C)C)[C@]2(C)CC=C1C 2356794176 KZBAFHDIJTZFSN-ZSYZGHEHSA-N 348.527 5.044 0 1 EKAF CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 4810040 WYKHZCQTFQGUQH-GTKPJJQQSA-N 347.458 5.244 0 1 EKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)ccc32)cc1 13829706 YXJPSGXLAJUYFS-FCHUYYIVSA-N 346.426 5.360 0 1 EKAF Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 26382852 GSDNBIVDIXCNAP-UHFFFAOYSA-N 345.233 5.085 0 1 EKAF CC(C)c1ccc([C@@H](F)[C@@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 27547426 ZMVSDMQINKQYLH-UYAOXDASSA-N 348.845 5.808 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1C[C@@H]1CCCCC(=O)O 27876804 DUTNGCOLYMDALQ-FTPIIELUSA-N 330.512 6.463 0 1 EKAF CC(C)(C)c1cc(/C=C/c2cc(O)cc(O)c2)cc(C(C)(C)C)c1O 34774279 VYJKKPFODDHPFA-BQYQJAHWSA-N 340.463 5.569 0 1 EKAF O=C(Nc1c(Cl)cccc1Cl)Nc1cccc2ccc(O)cc12 71340827 SCMPVDVELFUZGH-UHFFFAOYSA-N 347.201 5.496 0 1 EKAF FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 73199177 HLRRIAAHLBSRKM-UHFFFAOYSA-N 345.151 5.410 0 1 EKAF Cc1ccc(CNc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)cc1 82162408 QMQCMACSCFLFAI-UHFFFAOYSA-N 343.352 5.083 0 1 EKAF CN(C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCCCC1 103228208 ABPLFALWMRYFNA-XWFFHEKESA-N 331.503 5.548 0 1 EKAF C1=NC[C@@H](C23C[C@@H]4C[C@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 195448693 RFEDASQCPIEZHK-OQUMFGEMSA-N 348.534 5.680 0 1 EKAF Clc1ccc2ccc(-c3nc4nccc(Cl)c4[nH]3)nc2c1Cl 587083539 YWAWJPDWKGGOJM-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc2c3c(cc(-c4ccccc4C=O)nc13)-c1ccccc1C2=O 587099147 BPQQKTNHYQYANU-UHFFFAOYSA-N 349.389 5.234 0 1 EKAF FC(F)(F)Oc1cccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587113144 OMMBOQNXWLRLKH-UHFFFAOYSA-N 346.230 5.147 0 1 EKAF Cc1cc(Cl)c(C)c(-c2cc3c4c(cccc4n2)CC3)c1Cl 587209039 GSQPEQVNSNILQA-UHFFFAOYSA-N 328.242 5.924 0 1 EKAF FC(F)(F)c1cccc(/C=C\c2cc3c4c(cccc4n2)CC3)c1 587210230 KMBSCQQQNRSTTJ-YFHOEESVSA-N 325.333 5.523 0 1 EKAF C/C=C/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366104 RPXNZOSCGIFNLB-COBAKMAKSA-N 341.410 6.246 0 1 EKAF O=C1C[C@H](c2cc(F)c(Cl)cc2F)Oc2c1ccc1c2CCCC1 587501485 BZYFNCRFTOOPHJ-GOSISDBHSA-N 348.776 5.204 0 1 EKAF Cc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521349 FDNLFLGNCWPHNN-QHCPKHFHSA-N 334.459 5.371 0 1 EKAF CC(C)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C 587526789 SERVZBLBKUIZHH-YHEJKZAPSA-N 326.480 5.362 0 1 EKAF CC(C)c1cc(O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531471 GOFYLSFLICFMDU-NRFANRHFSA-N 336.431 5.101 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(OCC4CC4)cc3)n2)c1 587922030 GUFXVUJQGNCJDC-UHFFFAOYSA-N 343.398 5.544 0 1 EKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccccc2Cl)n1 653662925 JIJOGFVSOJLMBJ-LJQANCHMSA-N 349.865 5.595 0 1 EKAF Cc1ccc(C(C)C)cc1OC(=O)Nc1ccc(C(F)(F)F)cc1 1772600856 MITNTXQVBYKQIQ-UHFFFAOYSA-N 337.341 5.748 0 1 EKAF COc1ccc(Cl)c(-c2ccc(NC(=O)C3CCCCC3)cc2)c1 1857763155 ZZYOSXKGZLVFFI-UHFFFAOYSA-N 343.854 5.534 0 1 EKAF COC1=CC(=O)O[C@H](CCC=CC=C[C@@H](C)C=CC(C)=CCl)C1 2356790153 FFQPDMLQLMDNCB-NVXWUHKLSA-N 336.859 5.060 0 1 EKAF CC[C@H](C)c1ccc(N2C(N)=NC[C@H]2c2ccc(C(C)C)cc2)cc1 26822930 KTRUNALIHOBCOJ-KKSFZXQISA-N 335.495 5.200 0 1 EKAF C/C(=C\CCc1ccoc1)CC/C=C(\C)CCC[C@H](C)CC(=O)O 34215651 CMLJLKAJEBCZCF-SNSLKRADSA-N 332.484 6.166 0 1 EKAF C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 40879022 CVORWCXSRANFCH-VOTSOKGWSA-N 331.222 5.248 0 1 EKAF CCCCCc1ccc(-c2nc(CN[C@H](C)CCCCC)co2)cc1 72181590 VJEIESGTAJWVAL-GOSISDBHSA-N 342.527 6.133 0 1 EKAF Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(Cl)cc2)cc1 95560467 PRDFWGWFGFRZIH-UHFFFAOYSA-N 341.863 5.600 0 1 EKAF CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C(CC)CC)N2 95590570 PUKMFERGIKBKJD-BWAGFHJFSA-N 329.528 6.117 0 1 EKAF CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccc(Cl)cc2)c1 96177516 KYYJLSSAIZQRLL-UHFFFAOYSA-N 341.842 5.270 0 1 EKAF O=C(O[C@@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c(Cl)c1 98084807 MVOZEZKIDVCPOK-QGZVFWFLSA-N 343.209 5.601 0 1 EKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)o1 586991336 MZDBBJYCPKJCSZ-UHFFFAOYSA-N 341.366 5.029 0 1 EKAF Cc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991361 UHMGOAFPLWDGQH-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF Fc1cc(F)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016424 VSGMHOFXOXQBNB-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF Fc1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1C(F)(F)F 587097319 IUWKTOMEBJWBRP-UHFFFAOYSA-N 349.114 5.695 0 1 EKAF Cc1nc2cccc3c2c(c1[C@H](C)CC(C)C)-c1ccccc1C3=O 587205734 DULMIZDUROVQMS-CQSZACIVSA-N 329.443 5.904 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3C)c1 587365209 FVNWZOIDXUZNPB-AWEZNQCLSA-N 343.426 6.096 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402229 AUHIRYHNIGJPCG-JLOHOZFJSA-N 341.495 5.774 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C(C)(C)C)CC2=O 587486210 XCRHOZDQABXCOP-NQIIRXRSSA-N 330.468 5.285 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C)c1ccccc1)CC2=O 587491270 VLGVQMBRHVQTPG-NYHFZMIOSA-N 338.447 5.262 0 1 EKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12)C(F)(F)Cl 587633975 RFWLHLHGVYZORK-UHFFFAOYSA-N 341.691 5.127 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3O)c(C)c2c1 587642463 SGZGNPROUSCCSV-SNVBAGLBSA-N 348.273 6.669 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC)c(Cl)c3)c2c1 587642635 UCROXWDVOIDGNX-LBPRGKRZSA-N 327.855 6.319 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(CC)cc3[nH]2)c1 587780342 QLBGJNPPAJARQW-UHFFFAOYSA-N 342.442 5.858 0 1 EKAF CC(C)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809555 ALFBLOHYYVKTDZ-SJCJKPOMSA-N 342.296 5.020 0 1 EKAF Cc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)cn1 1857765176 SRRWVLOIDXUYQP-UHFFFAOYSA-N 345.229 5.338 0 1 EKAF Cc1cc(O)cc(Oc2cc(C)c3c(c2)Oc2cccc4c2[C@@H]3OC4)c1 2356797493 NZJGDFGCESSUML-JOCHJYFZSA-N 346.382 5.527 0 1 EKAF CCc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 4810036 WYKHZCQTFQGUQH-ADDNLYQESA-N 347.458 5.244 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@](C)(CC[C@H]1C(CO)=CCCC1(C)C)C=C2 14708644 NPUGLJKNYBKFHS-PGRDOPGGSA-N 342.479 5.000 0 1 EKAF biogenic CC1(C)CCC(C)(C)c2cc(C/C=C/c3ccc(C(=O)O)cc3)ccc21 27865707 PGOLJNQIMGAPBE-AATRIKPKSA-N 348.486 5.990 0 1 EKAF Cc1ccc(-c2nc3sc4c(n3c2Br)CCCC4)cc1 28524817 RNQYMLPPYVURGG-UHFFFAOYSA-N 347.281 5.013 0 1 EKAF CCc1cccc2c(OC)c(-c3occ(C)c3C(=S)OC)ccc12 66102707 UOJHRGYJDXDLNG-UHFFFAOYSA-N 340.444 5.301 0 1 EKAF Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)cc1 71334708 DZDZAUYMZBEHFM-QHCPKHFHSA-N 326.443 5.702 0 1 EKAF Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccccc2Cl)n1 72109160 BOFVTRSIQAXJSC-UHFFFAOYSA-N 334.810 5.330 0 1 EKAF c1ccc(CNc2c(-c3cccc4ccccc34)nc3ccccn23)cc1 95560763 XAMWVFNVVWRMIC-UHFFFAOYSA-N 349.437 5.767 0 1 EKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1c(C)cc(O)cc1O 205890339 JWDIUXFSIWOGDP-FJRBYWJDSA-N 328.496 6.368 0 1 EKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(O)ccc4[nH]3)c21 587031479 RYTQZOYRQNCMMB-LBPRGKRZSA-N 349.459 5.228 0 1 EKAF Cc1c(F)ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587166135 NHMWJZVWGZLKDJ-UHFFFAOYSA-N 337.373 5.130 0 1 EKAF CCC[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206214 BMUJEMQUQVUNNF-AWEZNQCLSA-N 327.427 5.666 0 1 EKAF COc1cccc(-c2c(C3CCCC3)cnc3c2oc2ccccc23)c1 587366932 OKKLFSUAOQATRT-UHFFFAOYSA-N 343.426 6.314 0 1 EKAF Cc1ccc(C)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587950030 ONPJRCDVTXMURB-PFONDFGASA-N 340.426 6.142 0 1 EKAF CC/C(=C/c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(C)cc1 587968644 VYODXNMIOXXYHW-FLIBITNWSA-N 332.234 5.524 0 1 EKAF CCCCc1ccc(-c2nnc(-c3ccc4nc[nH]c4c3)s2)cc1 1911576917 FKBDJKLASZSYGS-UHFFFAOYSA-N 334.448 5.091 0 1 EKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13661785 BUIPSHQTUUBPIM-VXKWHMMOSA-N 344.454 5.968 0 3 EKAF O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1 13587162 HWZHDGRMABBYOV-UHFFFAOYSA-N 349.430 5.554 0 1 EKAF in-vivo c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1 13686546 NDJOQVVSPLVIDN-UHFFFAOYSA-N 340.430 5.345 0 1 EKAF in-vivo C/C(=C\CC/C(C)=C/CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1)CO 15120192 MYAKCCHNPIRCLY-PSMGVCQDSA-N 342.479 5.310 0 1 EKAF biogenic,in-vitro CC(C)(CCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O 26173131 YHLLVWYAYRHGLI-UHFFFAOYSA-N 328.493 5.499 0 1 EKAF CCN(CC)CCCCCN1c2ccccc2CCc2ccccc21 26657270 PTEOUHUKQMIIBK-UHFFFAOYSA-N 336.523 5.435 0 1 EKAF Cc1ccc2c(/C=C/c3ccc(C(=O)O)cc3)ccc(C(C)C)cc1-2 26836314 JSONZTQVAAXXKF-VMPITWQZSA-N 330.427 6.092 0 1 EKAF CN1c2ccccc2[C@H]2C=C(/C=C\c3ccc4ccccc4c3)C=C[C@@H]21 28117145 ASCIXCTXNMXQCC-VKVZMWNOSA-N 335.450 5.951 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCC(=O)O 33822075 CDGJKEUOLAMVSS-OAQYLSRUSA-N 340.592 7.749 0 1 EKAF C[C@@H]1CC[C@@H]2C(=CC[C@H](O)C2(C)C)[C@]1(C)Cc1c[nH]c2ccccc12 49784293 KKNODFPXRCYCJH-LJTXAQECSA-N 337.507 5.480 0 1 EKAF biogenic Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2)nn1 103169643 YOMNPSVCMMMHMT-UHFFFAOYSA-N 330.309 5.263 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCCCCCCC(=O)O 117409101 KEELWVJBLPISGL-HXUWFJFHSA-N 342.564 6.474 0 1 EKAF in-vitro C1=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CCCC1 148400758 WHDJFLOVWHDHGF-UHFFFAOYSA-N 343.430 5.970 0 1 EKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3ccc(O)cc3)n2)cc1 473133729 CLEPAIKBAOQXMJ-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Cc1c(Cl)ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587063697 YZSHMIDQRGGEEK-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF Cc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1C 587070841 XMXFSTWPQXPYGG-ZDUSSCGKSA-N 326.827 5.210 0 1 EKAF CCc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076670 LOVQKZBOZYVGDL-UHFFFAOYSA-N 333.822 5.508 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@H](CCC)c1ccccc1)CC2=O 587479429 DIQNPCHALMHMDM-IERDGZPVSA-N 338.447 5.262 0 1 EKAF Cc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C)c12 587515407 MKXFUALDBFUVJO-NRFANRHFSA-N 345.442 5.072 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(OC(C)=O)c2c1 587643348 ZYJKFBDVYKJLHN-NSHDSACASA-N 342.826 5.322 0 1 EKAF CCCCCCC(=O)CCCCCCCCC=CC(=O)N1CCCC1 2356650721 PKNHPNCVMGDUJC-UHFFFAOYSA-N 349.559 5.825 0 1 EKAF c1cncc(Oc2ccc(NCCc3c[nH]c4ccccc34)cc2)c1 199264978 YDSWVXGLLZEIHH-UHFFFAOYSA-N 329.403 5.010 0 3 EKAF CCCOc1ccc([C@](C)(O)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc1 49111248 LMPYMKPKXJBEDP-IFVFEMLFSA-N 328.496 5.622 0 1 EKAF C[C@@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCF)c1ccccc12 66258773 ICQWUFVFVBZJRE-UWJYYQICSA-N 339.454 5.170 0 1 EKAF COc1ccc(-c2noc(C3CCCCC3)n2)cc1OC1CCCC1 72173417 NCJLTJBDRPWEBA-UHFFFAOYSA-N 342.439 5.114 0 1 EKAF CC(c1ccccc1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 138159539 GZCQCNVEPFDKOI-UHFFFAOYSA-N 336.438 6.004 0 1 EKAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)SC 144374733 GSLDYEUXPPAHCC-IRXDYDNUSA-N 332.550 5.255 0 1 EKAF FC(F)(F)c1ccc(NC2=NCCC3(CCCCC3)S2)cc1 169308896 YHHLBNUWALREKE-UHFFFAOYSA-N 328.403 5.313 0 1 EKAF Cn1cc([C@@H]2CC(=O)c3cccc(Cl)c3S2)c2ccccc21 299829636 HTCYTJBTKANYSX-KRWDZBQOSA-N 327.836 5.252 0 1 EKAF Cc1ccc(-c2cnc(C3(NCc4ccc(F)cc4)CCCC3)[nH]2)cc1 473093449 UANBTSIKTWBDFI-UHFFFAOYSA-N 349.453 5.083 0 1 EKAF CCCCCc1c(CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990735 FZOYUNUDJCCQIR-UHFFFAOYSA-N 345.442 5.447 0 1 EKAF CC[C@@H](C)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991414 MERPSIRZIDUZPW-GFCCVEGCSA-N 331.415 5.049 0 1 EKAF Cc1cc(Cl)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027400 DKUCRRYUNLIPRW-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF C[C@H]1CC([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C)C1 587520630 AZFOSELWIINKMZ-DOQJBMMISA-N 326.480 5.362 0 1 EKAF C[C@@]1(c2ccccc2)CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527859 XBBMKTKHTKYGMX-DNQXCXABSA-N 346.470 5.411 0 1 EKAF CCc1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1 587934818 FGPOIJYSIYQDRZ-UHFFFAOYSA-N 346.474 5.384 0 1 EKAF CC/C(=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(C)cc1 587967218 MQCKNKJRSKLGHD-XYOKQWHBSA-N 348.343 5.980 0 1 EKAF CCCNc1cc(C)nc(CCCCCCCCCCCCN)n1 1772615625 PBIMTITYFNIYLM-UHFFFAOYSA-N 334.552 5.009 0 1 EKAF CC1=C2C[C@@]3([C@@H]4C=C[C@@H]5CCC[C@]56C[N@@]46)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356366127 AODNXKJFRNSFJW-BIWILSSHSA-N 337.551 5.722 0 1 EKAF CCCC[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3831987 ACXANRVNFDEJLV-HXUWFJFHSA-N 333.475 6.585 0 1 EKAF Fc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13728583 WOQPWODQIGGKJL-UHFFFAOYSA-N 348.465 5.419 0 1 EKAF C[C@H](NCc1cc2cc(Cl)ccc2[nH]1)c1cccc2ccccc12 26994587 HXVUGKXQJRPMTM-AWEZNQCLSA-N 334.850 5.825 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cccc(O)c2)o1 35259924 RTBHOZQWSHSKQV-UHFFFAOYSA-N 349.430 5.423 0 1 EKAF Cc1cc(-c2ccco2)c2ncc(CSCCc3ccccc3)n2c1 40980405 JFABRDZLCBTPRX-UHFFFAOYSA-N 348.471 5.379 0 1 EKAF Clc1ccc(-c2cc(-c3ccsc3)nc(-c3ccco3)c2)o1 45391435 BOLVLKRGOAXRMA-UHFFFAOYSA-N 327.792 5.984 0 1 EKAF CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2)c(O)c(C(C)C)c1 72108738 JCUYNONKDQUQCJ-UHFFFAOYSA-N 331.843 5.545 0 1 EKAF COc1cc2nc(C)c(-c3ccc(C(C)C)cc3)c(O)c2cc1Cl 299819264 BJTJDHOEJNVHAI-UHFFFAOYSA-N 341.838 5.701 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccccc1 587208424 WGWGMLHWEXVQHT-GOSISDBHSA-N 333.390 5.134 0 1 EKAF Cc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587508187 SUBGKJNTLFROIS-QGZVFWFLSA-N 344.813 5.373 0 1 EKAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12 587633389 CCNBIZGDHUYXCX-UHFFFAOYSA-N 337.263 5.190 0 1 EKAF COC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 621430854 BIPDREOVFWTNOY-PSSCGGISSA-N 348.527 5.168 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc3ccc(Cl)cc3[nH]2)N1 962952013 JRKCBMZDNDJBAZ-QKKBWIMNSA-N 349.865 5.316 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC)c1cccc(Cl)c1F 963228049 KLURVLDEVIPAIN-BTYIYWSLSA-N 345.889 5.789 0 1 EKAF CCOC(=O)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)on1 1857550349 RBEUBDMMAQAZKA-UHFFFAOYSA-N 329.440 5.113 0 1 EKAF CC1=C2[C@H](Nc3ccccc3C(=O)O)C[C@H](C)[C@@]23CC[C@@H](C3)C1(C)C 2356540659 FUHKTMCSLBNMMQ-GDGLFIRTSA-N 339.479 5.348 0 1 EKAF CC(=O)O[C@@H]1CC(C)=C(CCC(C)=CCO)[C@]2(C)CCCC(C)(C)[C@H]12 2356756374 XEOIHOKVTGDPKG-URVUXULASA-N 348.527 5.190 0 1 EKAF COc1ccccc1CN[C@@H]1CCC12CCC(c1ccccc1)CC2 205707670 IJQPPOKJGMBBOX-RUDSSYLZSA-N 335.491 5.291 0 3 EKAF 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CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)C1(C)C 102031950 OOFXFLVLGBRHBD-VXYKINOTSA-N 330.512 5.207 0 1 EKAF Cc1cc(F)ccc1Oc1ccc2c(-c3ccccc3C)nncc2n1 138255487 RCXHFYUMRAIQDJ-UHFFFAOYSA-N 345.377 5.240 0 1 EKAF CCCCC[C@H]1C[C@@H](C)[C@H](CCCCCCCCC(=O)OC)O1 196458426 OEIUOZJQHYRZJK-QYZOEREBSA-N 326.521 5.654 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896426 LNHOIDQARVASJG-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF CCCCC/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992701 YASZEFPTMZLXII-RMKNXTFCSA-N 343.426 5.745 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(C)c3[nH]2)s1 587014861 RWIDHYNZUIHQOF-SNVBAGLBSA-N 335.860 5.054 0 1 EKAF Fc1cc(Cl)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587051574 YJPDVXZBPMCNDP-UHFFFAOYSA-N 346.192 5.467 0 1 EKAF CC(C)Oc1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053635 HJTGIMQKUSMDSB-TWGQIWQCSA-N 347.245 5.827 0 1 EKAF Cc1ccc2c3c(cc(CSCC(C)C)nc13)-c1ccccc1C2=O 587102016 KQEDICGNLNMFFC-UHFFFAOYSA-N 347.483 5.644 0 1 EKAF 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Clc1ccccc1Cn1cc(CNc2cccnc2)c2ccccc21 1772650651 IGENOZFBEMQYKS-UHFFFAOYSA-N 347.849 5.350 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/CN)C(C)(C)CC[C@@H]1O 1857606918 AAUCQQJFPASRLF-YGDNDPMCSA-N 327.512 5.004 0 1 EKAF c1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28358622 WUWLFTOAZYDEOE-ZRZAMGCNSA-N 326.443 5.104 0 1 EKAF COc1cc2c(cc1O)O[C@H]1CC[C@H]3C(C)(C)CCC[C@]3(C)C1=C2 40848993 VKVKDSPLZVAEMG-NBHGPNQESA-N 328.452 5.172 0 1 EKAF in-vivo C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1cccc(F)c1 40901174 FYZFBWGIHKEOHV-QVKFZJNVSA-N 346.405 5.028 0 1 EKAF CCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12 73169341 SQZHNYUQGYHEOQ-UHFFFAOYSA-N 349.409 5.013 0 1 EKAF O=c1oc2ccccc2c(OCc2ccccc2)c1-c1ccccc1 84687419 NIXBUQWTLKSDLG-UHFFFAOYSA-N 328.367 5.039 0 1 EKAF Brc1ccc2cc(-c3cc4ccccc4s3)[nH]c2c1 103259879 HAWVLYUUJDHHLD-UHFFFAOYSA-N 328.234 5.812 0 1 EKAF CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@H]1O 238768541 JSCFEQUPOIVPOF-SAEMKSJWSA-N 346.511 5.274 0 1 EKAF 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O=C1C[C@H](c2ccc(OCC3CC3)cc2)Oc2c1ccc1c2CCCC1 587521659 DUFCGCUECHEOAV-JOCHJYFZSA-N 348.442 5.061 0 1 EKAF c1ccc(-c2ccccc2Cc2nc3cc4ccccc4cc3[nH]2)cc1 587959709 SQRDUSXVGLRPKK-UHFFFAOYSA-N 334.422 5.974 0 1 EKAF CC[C@H](C)[C@H]1CCCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963118327 FKXFWNRWGSHMJK-WBHUJUFNSA-N 326.311 5.571 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cccc2nc(C)oc12 963244649 XFYCOKNXKSGFDA-NYHFZMIOSA-N 334.463 5.056 0 1 EKAF O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 1857577206 GNKVQRZXNSXZPZ-VMPITWQZSA-N 343.707 5.150 0 1 EKAF O=P1(c2ccccc2)[C@H](c2ccccc2)CC[C@H]1c1ccccc1 1642176 YSMZAYVFDLZNBM-VXKWHMMOSA-N 332.383 5.951 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@@](=O)(O)C(=O)O 1914880 VBKOOOFCMJHBNL-NCZFFCEISA-N 328.389 5.744 0 1 EKAF O=C1c2ccc(O)cc2CC[C@@H]1Cc1ccccc1-c1ccccc1 13675284 WAVSCJOMQNITPQ-LJQANCHMSA-N 328.411 5.047 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 38179235 IZVYKSOTNOCYLS-QGPMSJSTSA-N 331.843 5.230 0 1 EKAF aggregator CCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)[nH]1 40953611 SIMVDIMPOISXOD-UHFFFAOYSA-N 333.819 5.043 0 1 EKAF Clc1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72115072 CBJMFRKVUQRZMQ-FQEVSTJZSA-N 349.865 5.139 0 1 EKAF c1csc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)c1 72176078 HHEGRSBCAZNKHJ-UHFFFAOYSA-N 347.464 6.098 0 1 EKAF CSc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1 84687827 AYFXLGBQPPTNFL-QUMQEAAQSA-N 330.456 5.539 0 1 EKAF CC(=O)C[C@H](C)CCC1CCC(Oc2ccc(OC(C)C)nc2)CC1 96167517 RLGIIRHLEDCGAK-IPJUCJBFSA-N 347.499 5.202 0 1 EKAF COc1cc2c(cc1[C@@H](C)NCC1CCCCC1)C=CC(C)(C)O2 96932093 LWFWVRZBVMVNHA-OAHLLOKOSA-N 329.484 5.110 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)c(F)ccc2[nH]1 587066528 LWQJXWPQAIIZFX-UHFFFAOYSA-N 343.764 5.261 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccccc1)C4)-c1ccccc1C2=O 587099962 BMXZABZJGMKRKD-IBGZPJMESA-N 347.417 5.443 0 1 EKAF COc1cccc(-c2cc([C@@H](N)C(C)C)nc3c2oc2ccccc23)c1 587363522 SSZXUMHSBLRFDR-FQEVSTJZSA-N 346.430 5.312 0 1 EKAF CC[C@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523311 LBPFFXFBXQCOBY-UPCLLVRISA-N 348.486 5.960 0 1 EKAF CCCCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527378 UOWAEFRLROUMRH-QFIPXVFZSA-N 334.459 5.615 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@H](C)CC)cc12 587641994 LCQMCYUTUMHHLK-CYBMUJFWSA-N 345.408 6.930 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3OC)c2c1 587643493 UTNQEUKTNWXBTQ-ZDUSSCGKSA-N 336.435 5.251 0 1 EKAF CCCC[C@@]1(C2CCCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962633511 TXULWBZDJCRMRO-OPAMFIHVSA-N 345.527 5.156 0 1 EKAF C[C@@H](Cc1ccccc1)[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962660212 HNZRGLKVCPUNBF-DFBJGRDBSA-N 341.498 5.593 0 1 EKAF C[C@H](Oc1cc(-c2ccccc2)cnc1N)c1cc(F)ccc1Cl 1857577216 JEUYCARVAHECFG-LBPRGKRZSA-N 342.801 5.263 0 1 EKAF Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 1857775349 PQMACIUZHAYTRR-UHFFFAOYSA-N 341.370 5.243 0 1 EKAF CC[C@@H](OC(=O)c1ccccc1)C(C)(C)C=C[C@H]1CC=C(C)C1(C)C 2356873272 YFVLNVDXVHNQCT-WOJBJXKFSA-N 340.507 6.197 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1 3746100 ZKTVNDBEGSYEFM-NSHDSACASA-N 343.373 5.254 0 1 EKAF Nc1nc2c(s1)Cc1cc(-c3cccc(-c4cccs4)c3)ccc1-2 28474242 XRVIGCFTTUQVEY-UHFFFAOYSA-N 346.480 5.692 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN)c1 28822165 YUVZBCCANMFAPT-UHFFFAOYSA-N 337.551 6.677 0 1 EKAF CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 29241847 IDBZBIUKSCSURP-UHFFFAOYSA-N 330.771 5.025 0 1 EKAF Fc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1 33755657 CTFUUWFEHWHMTP-UHFFFAOYSA-N 329.434 5.363 0 1 EKAF CC[C@H](C)C(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1-c1ccccc1 221356840 ZPUCMXMFVQSGQE-LBPRGKRZSA-N 335.403 5.070 0 1 EKAF C[C@H](CO)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC(=O)O 263614191 CBZPGRKSSXCZLI-RDGPPVDQSA-N 328.537 5.509 0 1 EKAF in-vitro CCCCn1c(-c2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21 299828860 JHBULYXWVCCWFD-UHFFFAOYSA-N 348.368 5.531 0 1 EKAF CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O 473115329 RWZIHIGDTIBCNH-UHFFFAOYSA-N 338.234 5.249 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586882005 QDDGEQPPVCPTGP-UHFFFAOYSA-N 344.361 5.239 0 1 EKAF CCc1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)ccc1Cl 587052796 NBLMXSDOUBNXAE-UHFFFAOYSA-N 339.197 5.150 0 1 EKAF FC(F)(F)c1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587086763 DWBUBABKXVMOQI-UHFFFAOYSA-N 335.716 5.383 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1F 587922728 YGBTWJRLGMHIDK-UHFFFAOYSA-N 349.405 6.422 0 1 EKAF CCC[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C 587954592 BGVYJXNATRJXLQ-VIFPVBQESA-N 334.769 5.655 0 1 EKAF CO[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356699052 ADVRQUCBLYRORP-PLOVASNDSA-N 332.484 5.187 0 1 EKAF O=C(OCc1ccco1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957324 GBLKVAKAYJPCCZ-UHFFFAOYSA-N 337.202 5.267 0 1 EKAF O=C(O)c1ccc(-c2ccc(-c3cc4cc(Cl)ccc4o3)[nH]2)o1 29468316 TWNRLKJPNUIAHH-UHFFFAOYSA-N 327.723 5.040 0 1 EKAF CCCN1N=C2/C(=C/c3ccccc3)CSC[C@H]2[C@H]1c1ccccc1 40655660 JUGKHVPNYBEOAS-DLZWTQKGSA-N 348.515 5.256 0 1 EKAF COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@@H]3C2)cc1OC 102914933 TXTLCRIBOQQTCY-UKRRQHHQSA-N 333.431 5.227 0 1 EKAF CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 197149431 ZLSUFAROARWHAD-XXMUNEJQSA-N 344.495 5.554 0 1 EKAF CSc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894902 GIFQURZFFIQABS-UHFFFAOYSA-N 346.455 5.111 0 1 EKAF Cc1ccc2c3c(cc(CCC(C)(C)C)nc13)-c1ccccc1C2=O 587099453 JBZAZLNWXBTQDG-UHFFFAOYSA-N 329.443 5.733 0 1 EKAF c1ccc(CCc2c(-c3ccccc3)nc3cccc4c3c2CC4)cc1 587214014 NAIKZPLAUROTFY-UHFFFAOYSA-N 335.450 5.786 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3C)c1 587365212 FVNWZOIDXUZNPB-CQSZACIVSA-N 343.426 6.096 0 1 EKAF O=C1C[C@@H](c2ccc(F)c3ccoc23)Oc2c1ccc1c2CCCC1 587506626 LAUASJRRHCXQMN-IBGZPJMESA-N 336.362 5.157 0 1 EKAF CCn1ccc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587513983 CSLSFAUHVWZERA-JOCHJYFZSA-N 345.442 5.247 0 1 EKAF O=C1C[C@@]2(CCCC[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587525385 OWMNEKHDPOZGKZ-XUZZJYLKSA-N 346.470 5.627 0 1 EKAF CSc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533291 RWUUZFVZCAGMHI-NRFANRHFSA-N 338.472 5.168 0 1 EKAF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630082 QOVVWVGTBSEIBG-UHFFFAOYSA-N 347.720 5.272 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3nc(-c4ccccc4)no3)c2c1 587643639 HQJVHWVRNMHXMU-ZDUSSCGKSA-N 331.419 5.707 0 1 EKAF CCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812621 JTUKQHATCHEOKX-PIGZYNQJSA-N 342.296 5.164 0 1 EKAF Cc1ccccc1C(C)(C)c1nc2ccc(F)c(Br)c2[nH]1 587955864 VKCQJCDMLSNSDZ-UHFFFAOYSA-N 347.231 5.099 0 1 EKAF C/C(=C/c1nc2ccc(Br)c(O)c2[nH]1)C1CCCCC1 587968797 UIMKJTNMJMFILI-KTKRTIGZSA-N 335.245 5.015 0 1 EKAF CC[C@@H]1C[C@@H](C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962712499 UTZFROIEXRBFRX-RZQQEMMASA-N 329.509 5.441 0 1 EKAF Cc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1 1857604344 MUKPACDIPDZJEU-UHFFFAOYSA-N 339.442 5.101 0 1 EKAF CC[C@H](O)CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356343169 KFGLFEVIRKTJEW-NRFANRHFSA-N 346.511 5.744 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356553125 OSIWGYVBAGGXDY-KCZVDYSFSA-N 348.527 5.047 0 1 EKAF C[C]1N(C)c2ccccc2N1CC(=O)c1ccc(-c2ccccc2)cc1 2356834909 MLMCOWZFCMZTAG-UHFFFAOYSA-N 341.434 5.002 0 1 EKAF O=C(c1ccccc1Cl)c1oc2cc(O)ccc2c1-c1ccccc1 13818638 FOKDFTRYVCAARN-UHFFFAOYSA-N 348.785 5.690 0 1 EKAF CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 13864672 MFKDNMHZILMJII-GOSISDBHSA-N 331.500 5.154 0 1 EKAF N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1 28364925 VWKDMGIRFQHGHQ-VOTSOKGWSA-N 338.410 5.554 0 1 EKAF in-vivo COc1cc(/C=C/C=C/C=C/C=C/c2sccc2Cl)oc(=O)c1 64527074 NIDZMYFXGLEUNO-VTXBTNDESA-N 346.835 5.202 0 1 EKAF COc1cccc(NCC[C@@]2(c3cccs3)CCOC(C)(C)C2)c1 72112012 FBMPZZFXBPBSFK-HXUWFJFHSA-N 345.508 5.086 0 1 EKAF COc1cc(/C=C\c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 103193209 JWCORGYYDPIQLE-PLNGDYQASA-N 339.218 5.190 0 1 EKAF CCC[C@H](C(=O)O)c1cnc2sc(C)cc2c1-c1ccc(C)cc1 103300973 NLQXMRBZYMCREK-HNNXBMFYSA-N 339.460 5.548 0 1 EKAF Cc1ccc([C@@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203814431 MJSWJWIRIXUTEM-SFHVURJKSA-N 336.435 5.047 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3ccc(F)cc3)[nH]c12 587624462 MRPYATSGGJFGTG-UHFFFAOYSA-N 337.728 5.384 0 1 EKAF Cc1cc(Cl)cc2c(C(C)(C)C)c(-c3ccc(Cl)cc3)[nH]c12 587624719 SKPQCTSMCNLPJR-UHFFFAOYSA-N 332.274 6.748 0 1 EKAF CN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1 1857600099 JTENRKUQAXBDKF-UHFFFAOYSA-N 330.431 5.102 0 1 EKAF C[C@H](CCC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 2356380108 RMOANDLRKRTOAX-FIZLFTKOSA-N 338.532 5.261 0 1 EKAF CC(=O)O[C@@H]1CC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H](O)C=C1C 2356385540 PTGSYIPWFAXRLD-KVJIRVJXSA-N 348.527 5.354 0 1 EKAF CCCCCC=CCC=CCC=CC=C[C@H](O)CCCC(=O)OC 2356430315 RWLSHOXCJVZJMD-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CCC3=C(CC[C@H]4C(C)(C)CCC[C@]34C)C2)O1 2356635338 XDXYMZCWPWXFQU-TWRVUUBYSA-N 346.555 6.251 0 1 EKAF CC1(C)C(=O)OC2=C(CCCC2=Cc2ccccc2)[C@H]1c1ccccc1 2356716955 CHQRLLBSJDTXKD-OAQYLSRUSA-N 344.454 5.875 0 1 EKAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@H]1[C@H]2CC[C@@]2(C)CCC[C@@]1(O)C2 2356736718 KVODGEBXIXGZHI-IISWQVLISA-N 348.571 5.313 0 1 EKAF C[C@@H]1CC=C[C@](C)([C@H]2CCC[C@H](Cc3cc(O)cc(CCO)c3)C2)C1 2356778782 DMKKXGUPBVXGNO-IOGOZDDNSA-N 342.523 5.268 0 1 EKAF COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@H]3C2)cc1OC 102914935 TXTLCRIBOQQTCY-ZFWWWQNUSA-N 333.431 5.227 0 3 EKAF c1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1 1909650 CJJQNFCZLGSSMK-UHFFFAOYSA-N 334.463 5.090 0 1 EKAF Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)ccc1Cl 28563581 NXUJOLZEKJPLBA-UHFFFAOYSA-N 346.817 5.770 0 1 EKAF Clc1ccc([C@@H](COc2ccccc2Cl)Cn2ccnc2)cc1 33493824 XDJBKJGKQYUQHL-OAHLLOKOSA-N 347.245 5.053 0 1 EKAF Cc1cccc(S[C@@H](CC(=O)c2ccccc2)c2ccc(O)cc2)c1 72112054 OSTKBTWQBWXQMM-QFIPXVFZSA-N 348.467 5.807 0 1 EKAF CC(C)(O)CCCCc1cccc(CC[C@]2(C)CC[C@@H](O)CC2)c1 253633810 IUJFMFOQXYKNOH-AQYVVDRMSA-N 332.528 5.044 0 1 EKAF CN(C(=O)CCC1CCCCC1)c1ncc(Cc2ccccc2)s1 299866109 OKBCQRVBSWQBOE-UHFFFAOYSA-N 342.508 5.057 0 1 EKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccn1 587097704 PRSHXILLTULOLZ-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1ccc2c3c(cc(/C=C/c4ccccc4)nc13)-c1ccccc1C2=O 587099701 SQDRKPKQETWRJT-OUKQBFOZSA-N 347.417 5.925 0 1 EKAF COc1cccc(-c2cc(/C=C/C(C)C)nc3c2oc2ccccc23)c1 587364451 AEZMSZHGBUOADV-VAWYXSNFSA-N 343.426 6.326 0 1 EKAF C[C@@H]1[C@@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526067 QRYONBCZKPLKRB-XLHILCRZSA-N 332.443 5.093 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)s1 587624104 CMSXOPUOFSCLAM-UHFFFAOYSA-N 339.794 5.614 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(C)cc4[nH]3)c2)cc1 587936023 PKKRDKDMJLWSCO-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@H]1[C@H](C)C[C@@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@@H]14 2356506063 ADRYYXMGPFFUGO-QPBMGOQXSA-N 342.479 5.002 0 1 EKAF CC1(C)C=CC2=C(C1)Nc1ccccc1[C]2NCc1ccc(Cl)cc1 2356867215 LOSZPLCFHUCFBJ-UHFFFAOYSA-N 349.885 5.676 0 1 EKAF Cc1ccccc1OC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957318 ZGYZPKKUJVRLKR-UHFFFAOYSA-N 347.241 5.845 0 1 EKAF CCN(CC)C(=O)C[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 29413018 ZGTJEZOTMJMBSR-ZWKOTPCHSA-N 339.479 5.189 0 1 EKAF CC(C)(C)[C@@]12CCN(CCc3ccccc3)[C@@H](Cc3ccccc31)C2 29473153 GNRWNWORPLYLAS-XUZZJYLKSA-N 333.519 5.234 0 1 EKAF O=C1c2ccccc2C[C@]1(Cc1ccccc1)C1=CCc2ccccc21 45298502 WSTFCNDKEWPDDB-RUZDIDTESA-N 336.434 5.294 0 1 EKAF C[C@H]1CCC[C@H](NCc2coc(-c3cccc4ccccc34)n2)[C@@H]1C 72186227 SGASSMMBMACOAI-MRUHUIDDSA-N 334.463 5.409 0 1 EKAF O=[N+]([O-])c1ccc2c(-c3ccccc3)cc(-c3ccccc3)nc2c1 196668497 NLJGMWRVYYOBNF-UHFFFAOYSA-N 326.355 5.477 0 1 EKAF Fc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1C(F)(F)F 586884338 HCQXRCQUACQTDL-SCLBCKFNSA-N 346.327 5.092 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023828 QGMBQEYRLPXLCZ-UHFFFAOYSA-N 339.489 5.712 0 1 EKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Cl)c(C)c2[nH]1 587026926 KATBNRKGVBJNGN-UHFFFAOYSA-N 343.839 5.140 0 1 EKAF Oc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587052107 ZDODOUUTDHGZEN-UHFFFAOYSA-N 345.185 5.502 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H]1[C@H](C4)C1(C)C)-c1ccccc1C2=O 587101336 SEWLGMZEWWGYBD-QFBILLFUSA-N 325.411 5.050 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 587234739 IMOMZOTYAPXLAT-UHFFFAOYSA-N 335.357 5.217 0 1 EKAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587640903 GGTMPMJZTDZPGO-ZDUSSCGKSA-N 339.410 5.664 0 1 EKAF Cc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1C 587920030 AMBVMNPCPCLKEI-UHFFFAOYSA-N 336.485 5.627 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc(C(C)(C)C)c2)N1 962942686 GADHYEJCKFTITK-IIBYNOLFSA-N 348.490 5.185 0 1 EKAF O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1cccs1 1772635174 VDHUFHKBONQORZ-UHFFFAOYSA-N 336.441 5.277 0 1 EKAF c1ccc2c(OCCCCCCN3CCCCCC3)cccc2c1 1857752763 OHMYYCVFTVDPTM-UHFFFAOYSA-N 325.496 5.655 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(C(=O)O)ccc2O1 2356565825 MSDAWPKHHPLFBC-JOCHJYFZSA-N 340.463 6.022 0 1 EKAF ClC(Cl)=C(Cl)[C@]1(Cl)C[C@H]1COCc1ccccc1 1629092 WLHDJGPWRKGCGB-GWCFXTLKSA-N 326.050 5.086 0 1 EKAF COc1cc2ccc(-c3ccccc3)c3c2c(c1OC)CC[C@H]3OC 13480692 WJBBEMMDVVGLCP-GOSISDBHSA-N 334.415 5.158 0 1 EKAF O=C(O)c1ccc(OCCCC2c3ccccc3-c3ccccc32)cc1 13741280 HXPAIYGJHWKBPW-UHFFFAOYSA-N 344.410 5.356 0 1 EKAF Cc1c(-c2ccc(F)cc2)c(SCCN(C)C)nc2ccccc12 26377134 ZTSPMUGCWAVOLM-UHFFFAOYSA-N 340.467 5.003 0 1 EKAF C[C@@H](N=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169684325 ZSFUTQJVESUVEG-XFHAOOBSSA-N 333.516 5.161 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238746217 QPIUBKNTZMBLLI-ZEWQPTNTSA-N 348.527 5.044 0 1 EKAF COc1cc2nc(C)c(-c3ccc(Cl)cc3C)c(O)c2cc1Cl 299823653 RVFXNHKTJITXMU-UHFFFAOYSA-N 348.229 5.540 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4CC[C@@H]3C4)nc3ccc(O)c1c23 586990353 BSEWBWGEUWISEI-WOSRLPQWSA-N 341.410 5.055 0 1 EKAF O=C1c2ccccc2-c2cc(Cc3ccc(F)cc3)nc3cccc1c23 587104705 UYMOQCSFJSAFJI-UHFFFAOYSA-N 339.369 5.176 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1F)CC2=O 587465858 HZKXHOJUROQPEI-LJQANCHMSA-N 348.801 5.018 0 1 EKAF C[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508683 WVRIAWGYFZFPOU-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)CCCC3 587952214 NAFGUCSYDACRCX-QOKNQOGYSA-N 326.484 5.488 0 1 EKAF Cc1ccc(Oc2ccc(C(=O)N(C)c3cccc(C)c3)cc2)cc1 653785976 CIGZDZALGBFPSB-UHFFFAOYSA-N 331.415 5.372 0 1 EKAF CC[C@@]1(c2cc(C)sc2C)c2cc(OC)ccc2CCN1C(C)C 962088239 FMUPCGLCKZJKEQ-OAQYLSRUSA-N 343.536 5.294 0 1 EKAF Cc1nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C)s1 1772581578 QYHJLKUWAIGCBN-UHFFFAOYSA-N 333.378 6.113 0 1 EKAF Cc1cccc(COc2cccc(-c3cc(=O)c4ccccc4o3)c2)c1 1857619886 XRGFLBXOOIEEFN-UHFFFAOYSA-N 342.394 5.347 0 1 EKAF Cc1ccc(-c2c(-c3cc(F)c(O)c(F)c3)cnc3[nH]ccc23)cc1 1857769465 MOMPHYXXCRRPRT-UHFFFAOYSA-N 336.341 5.189 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CCC(C)=CCO)C(C)=CC[C@@H]12 2356634849 PDJCFUBZSXJGDN-MYGLTJDJSA-N 348.527 5.047 0 1 EKAF Cc1ccccc1Nc1nc(O)c(/C=C2\C=Nc3ccccc32)s1 5926931 JIVAABFIFVGMDU-JLHYYAGUSA-N 333.416 5.157 0 1 EKAF CC[C@H](C)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671501 HIGRNMBHEGUXBW-XRYXDNEWSA-N 346.555 5.375 0 1 EKAF CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27746703 UWYQDLYLKSLKNZ-NDUHVBCRSA-N 340.507 6.597 0 1 EKAF c1ccc(Nc2ccc([C@H](c3ccccc3)n3ccnc3)cc2)cc1 40393808 YHEUXBRFAKWNKQ-QFIPXVFZSA-N 325.415 5.264 0 1 EKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45367678 IPAMIWZVGZQITB-JKSUJKDBSA-N 338.904 5.345 0 1 EKAF CC(C)(C)N(CCC(=O)c1ccc(Cl)cc1)Cc1ccccc1 45393432 BYRRGYMIOHFRRD-UHFFFAOYSA-N 329.871 5.214 0 1 EKAF c1cn(CCCCCCCCCCCCCCn2ccnc2)cn1 73166594 AMBNKGLMPDTHLE-UHFFFAOYSA-N 330.520 5.461 0 1 EKAF O=C(OCCC1CCCCC1)c1csc(Nc2ccccc2)n1 82086456 KUPKBQXUFBEUOC-UHFFFAOYSA-N 330.453 5.014 0 1 EKAF COc1cccc(NC[C@H](F)Cn2c3ccccc3c3ccccc32)c1 96938609 OPNAHJXINFVJAV-INIZCTEOSA-N 348.421 5.253 0 1 EKAF CCCCCCOc1ccc(-n2cnnc2-c2ccc(C)cc2)cc1 103273158 DLWOZIFINBMSIC-UHFFFAOYSA-N 335.451 5.202 0 1 EKAF COP(=O)(OC)[C@@H](Nc1ccccc1)c1cccc2ccccc12 103300017 VZBAWWITJYNWJU-LJQANCHMSA-N 341.347 5.436 0 1 EKAF C[C@@H](c1nc2cc3ccccc3cc2[nH]1)c1ccccc1C(F)(F)F 587098739 UJHZVBMUUREBAT-GFCCVEGCSA-N 340.348 5.887 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H](C(F)F)C3 587103604 LMKAJDGNRLMWMO-GFCCVEGCSA-N 349.380 5.206 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)c1F 587153187 WRQCNSMDTUFUMF-RKDXNWHRSA-N 339.172 5.419 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587171133 ZTCYYASGKNXCNI-QMMMGPOBSA-N 340.345 5.015 0 1 EKAF O=C1c2ccccc2-c2cc(CCC3CCCCC3)nc3cccc1c23 587208070 YDNGOTBQKOPXNA-UHFFFAOYSA-N 341.454 5.959 0 1 EKAF Oc1cc2c(-c3cc4c5c(cccc5n3)CC4)coc2c2ccccc12 587215612 KCXNVCWTMWPREL-UHFFFAOYSA-N 337.378 5.605 0 1 EKAF O=C(c1c(Cl)cccc1Cl)c1coc2ccc(Cl)cc12 587279168 XPUWPTJPGVGLMD-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccccc3C)c1)O2 587406168 QFMALHQIUBDOFP-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF CC(C)Cc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521842 GOMSITJRRVZENT-DEOSSOPVSA-N 348.486 5.645 0 1 EKAF CCc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527375 UOPQUYQSHMULMR-IBGZPJMESA-N 334.459 5.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(OC(C)=O)c2c1 587643347 ZYJKFBDVYKJLHN-LLVKDONJSA-N 342.826 5.322 0 1 EKAF CCc1ccc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c2c1 587934591 DTXYSKHIWMHFCR-UHFFFAOYSA-N 328.415 5.468 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(-c5cccnc5)cc4CC[C@H]3[C@@H]1CCC2=O 1857636272 CZAFZDCTHCFVRA-JFYQVNSESA-N 331.459 5.174 0 1 EKAF CCCCCC=CCC=CC[C@@H](O)C=CC=CCC=CC(=O)OC 2356716617 SEXBBWYMBSFAPG-HXUWFJFHSA-N 332.484 5.052 0 1 EKAF Cc1cccc(C)c1NC(=O)[C@H](Nc1ccccc1)c1ccccc1F 206050541 ABZRYUUKRNNENG-OAQYLSRUSA-N 348.421 5.234 0 3 EKAF CCC[C@@H]1Cc2cc(OC)ccc2-c2c(C=O)c3ccc(OC)cc3n21 13606355 RQMFOHOQRSYMAX-OAHLLOKOSA-N 349.430 5.035 0 1 EKAF CC(C)CCOC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 13680291 JRIUHORRZZNSJV-UHFFFAOYSA-N 339.460 5.522 0 1 EKAF C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccccc1Cl 28568605 DRERWZQTMBLMNH-HNNXBMFYSA-N 349.865 5.021 0 1 EKAF Clc1cc(Cl)c(Cl)c(-c2nc(-c3cccnc3)cs2)c1 40380553 LFISOAAWJLTVQZ-UHFFFAOYSA-N 341.650 5.832 0 1 EKAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1 68247339 DNMGOKWLYOKSAL-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)cc1 71332397 FUVQGZVAVOSIKM-QHCPKHFHSA-N 342.442 5.402 0 1 EKAF Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(F)c(F)c2)cc1 95561118 FWABFNOPMJQOMS-UHFFFAOYSA-N 343.398 5.225 0 1 EKAF C/C(=C\c1nsc(Nc2cccc(Cl)c2)n1)NC1CCCCC1 103624546 DJQYTAQOSLBTLO-ZRDIBKRKSA-N 348.903 5.218 0 1 EKAF CCSc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224778603 XJSLVJSYJOCYSG-UHFFFAOYSA-N 349.434 5.543 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)CC1 586878807 AVTVZEOHYUWRDY-QAQDUYKDSA-N 348.490 6.400 0 1 EKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 587069911 MBYPYDMMLNSAED-GFCCVEGCSA-N 349.821 5.141 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1C 587075473 FANZLCRWOCPBKU-UHFFFAOYSA-N 349.821 5.268 0 1 EKAF Cc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1F 587076062 IFVVCWZWDXOMRM-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1C 587113617 VSQXNTGYQNSKTE-UHFFFAOYSA-N 341.336 5.414 0 1 EKAF Cc1ccc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)cc1F 587146896 ZYPSEPGSMCDZKY-VMPITWQZSA-N 345.215 5.252 0 1 EKAF Nc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc2ccccc12 587254453 QGGYWBAFTCCKHQ-UHFFFAOYSA-N 345.299 5.123 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C3CCC3)c1)CC2=O 587476757 AVZBUHWBKPFMJN-OAQYLSRUSA-N 336.431 5.319 0 1 EKAF CCc1ccc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524088 NDVDYFKJFWLFDO-XMMPIXPASA-N 348.486 5.645 0 1 EKAF C[C@@]1(c2cccc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525948 UJDBIUGGGCSCGU-DEOSSOPVSA-N 346.470 5.325 0 1 EKAF CC[C@@]1(c2ccc(C(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963111090 QZSXSEMNVVHPQU-FYYLOGMGSA-N 337.482 5.623 0 1 EKAF CCc1cccc(NCc2cccc(CNc3cccc(CC)c3)n2)c1 1772571144 ASQROZCSOAYODT-UHFFFAOYSA-N 345.490 5.431 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(C)cc1O 2356536685 PZHNKNRPGLTZPO-UHFFFAOYSA-N 328.496 6.368 0 1 EKAF C[C@H]1CCC[C@@H](NC(=S)Nc2ccc(SC(F)F)cc2)[C@@H]1C 8687110 NJNXEQZYMFOLLB-MISXGVKJSA-N 344.496 5.112 0 1 EKAF CN(C)[C@H]1C=C[C@@]2(CC1)c1ccccc1CCc1ccc(Cl)cc12 13649952 QPNVVIACYJVUOX-SIKLNZKXSA-N 337.894 5.005 0 1 EKAF CCC[C@H](C[C@@H]1CCC[C@@H]2CCC[C@@H](C)N21)OC(=O)c1ccccc1 14677269 IGRSTMLFLWBIPT-BVOGOJNSSA-N 343.511 5.198 0 1 EKAF biogenic CC/C=C\C/C=C\C/C=C\C=C/[C@@H](O)C/C=C\C/C=C\CCC(=O)O 27643205 DDCYKEYDTGCKAS-BAQWZCJZSA-N 344.495 5.520 0 1 EKAF in-man CC(C)(c1ccc(O)cc1Cl)C(C)(C)c1ccc(O)cc1Cl 28755534 BSXFFVBQZHMBOS-UHFFFAOYSA-N 339.262 5.660 0 1 EKAF CCCCCc1cc2c(c(N(C)C)c1)C1=C(CC[C@H](C)C1)C(C)(C)O2 169323142 HHPWVNSEDAZORN-INIZCTEOSA-N 341.539 6.230 0 1 EKAF CC/C=C/C/C=C\C/C=C\C/C=C\CC/C=C\CCCC(=O)OC 238785509 RRPJCVGNLPATGI-PGYPPNTLSA-N 330.512 6.471 0 1 EKAF CC[C@H]1O[C@H]1CCCCCCCCCCCCCCCCC(=O)O 299834779 VMXAHVBGVBSVBN-UXHICEINSA-N 340.548 6.490 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586890980 QFTDNDXCVGQRGU-QLJPJBMISA-N 337.261 5.016 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1NCC3 587105776 DVFIQDOVIZSXMB-UHFFFAOYSA-N 348.405 5.081 0 1 EKAF CCCC[C@H](CC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819007 KMJZCVKJNMPITL-BWACUDIHSA-N 342.296 5.380 0 1 EKAF CCCc1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)s1 962670058 QELQQEUVHGKMNI-QHCPKHFHSA-N 347.527 5.777 0 1 EKAF C[C@@]1(c2ccc(-c3ccsc3)s2)NCCc2cc(Cl)ccc21 963390176 GIDIMVQLTBICCL-GOSISDBHSA-N 345.920 5.539 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356411796 ZETHHMPKDUSZQQ-MPAQAYSTSA-N 348.527 5.633 0 1 EKAF CCC=CCC=CCC=CCCCCCCCc1ccc(C=O)[nH]1 2356735813 SBTDAFBYYGSBEE-UHFFFAOYSA-N 327.512 6.569 0 1 EKAF COc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)ccc2c1 13220652 AEXMILBCMVMQFT-UHFFFAOYSA-N 341.410 5.489 0 1 EKAF CC(C)c1ccc(O[C@@H](C(=O)O)[C@@H](C)c2ccc(Cl)cc2)cc1 13604901 RHJPGUNXIJGGHN-SCLBCKFNSA-N 332.827 5.099 0 1 EKAF O=C1c2ccccc2CCC[C@@H]1CC1CCN(c2ccccc2)CC1 53246929 VRIRSGPSYJRDTE-HXUWFJFHSA-N 333.475 5.129 0 1 EKAF Cc1ccc(C)c(-c2cccc(C(=O)Nc3c(C)cccc3C)c2)c1 72183680 FDKHILFGTGOOBI-UHFFFAOYSA-N 329.443 5.840 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C(CO)[C@@H]21 89455895 SEBBDITUKJYWJV-YLJYHZDGSA-N 344.495 5.098 0 1 EKAF CCn1c2ccccc2c2cc(C(=O)c3cccc4ccccc34)ccc21 205445203 HQBBGYZHBSZKQC-UHFFFAOYSA-N 349.433 6.199 0 1 EKAF CC1(C)OC[C@@H]([C@@]2(C)CC[C@H]3C(=CC[C@@H]4C(C)(C)CCC[C@]34C)C2)O1 238762838 TXBVGKQPHJCHBP-YCADQPJXSA-N 346.555 6.107 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(Cl)cc(F)c2[nH]1 586971425 ROLSJDXXAVUIJI-UHFFFAOYSA-N 347.659 5.546 0 1 EKAF Cc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1F 587084053 SZXNTQFCFKSNAV-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Fc1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1C(F)(F)F 587097303 IQWDABQFBULIGI-UHFFFAOYSA-N 334.316 5.267 0 1 EKAF CC(=O)[C@@H](C/C=C\c1ccccc1)c1cc2c3c(cccc3n1)CC2 587214503 RMHSGDGCRIPTGL-FMSOUQGNSA-N 327.427 5.110 0 1 EKAF Cc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587524047 JMJBOWZIOITBKJ-HXUWFJFHSA-N 331.415 5.062 0 1 EKAF C[C@@]1(c2sccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587530649 GJJGATTWXYMVOW-SFHVURJKSA-N 332.852 5.161 0 1 EKAF Cc1cccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c1C 587631643 RVRLHFVIIZGOPQ-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-n3cc(C(F)(F)F)ccc3=O)c2c1 587640470 DQADXKHPWDVXEK-NSHDSACASA-N 348.368 5.160 0 1 EKAF CC/C(=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587966566 IZBQQDMYQOJRBE-RAXLEYEMSA-N 346.352 5.721 0 1 EKAF C=Cc1c(OC)cc(/C=C/c2ccccc2C(F)(F)F)cc1OC 1857573632 OCGYMWHECFEULX-MDZDMXLPSA-N 334.337 5.536 0 1 EKAF CCCCCC[C@H](O)CC=CCCCCCCCCCC(=O)OC 2356521205 NIOKVQPUJKYTOZ-FQEVSTJZSA-N 340.548 5.948 0 1 EKAF CC/C(C)=C/C(=O)OCc1c(C)coc1Cc1cccc(C)c1C 14694243 AUUABIKYBWIYMZ-GXDHUFHOSA-N 326.436 5.195 0 1 EKAF O=P1(c2ccccc2)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1 17251158 YSMZAYVFDLZNBM-RIKCKFAHSA-N 332.383 5.951 0 1 EKAF CC/C(=C\CCc1ccc2c(c1)OCO2)CC[C@@H]1CCCCC1=O 34075021 COXDJYQOFLGLRV-SCFNNSENSA-N 328.452 5.224 0 1 EKAF COc1cc2cnc(-c3cccc(-c4ccccc4)c3)cc2cc1OC 95563807 YWAGNYKTWNYKCQ-UHFFFAOYSA-N 341.410 5.586 0 1 EKAF COc1ccccc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C 103299723 IEBORWHYIXGBAG-YEFHWUCQSA-N 327.512 6.526 0 1 EKAF CO[C@H]1C=C(C)[C@]2(C)CC[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2C1 238742529 CGVBOYIYAFIARZ-AILWYZJWSA-N 336.516 5.301 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc3ncccc3c2[nH]1 586879492 RSZFZLYFPHXINN-UHFFFAOYSA-N 335.410 5.754 0 1 EKAF CCCCCc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991733 PWENAXQZSHUYAA-UHFFFAOYSA-N 331.415 5.193 0 1 EKAF Oc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062576 GUFUQKQVTGVPCB-UHFFFAOYSA-N 334.806 5.180 0 1 EKAF Cc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Cl 587063544 VQDPFAALLZBMAW-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF CSc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073307 BKOBBWSUQHIXSC-UHFFFAOYSA-N 328.868 5.408 0 1 EKAF Cc1c(Cl)ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587133907 DMBAPRYMUBADNB-UHFFFAOYSA-N 346.736 5.037 0 1 EKAF Cc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587161767 QUERXDOGZWMNSY-QWHCGFSZSA-N 345.215 5.044 0 1 EKAF Oc1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587163509 KKLAWYRRSVZRML-SDNWHVSQSA-N 336.391 5.058 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1CC3 587208869 CWUDSMFFCSMWNL-UHFFFAOYSA-N 328.242 5.870 0 1 EKAF Cc1cccnc1-c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630371 ZOGQYVGYPQWNDA-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF CCC(CC)(CC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818775 JLQRIACTWYVTJT-BDJLRTHQSA-N 342.296 5.380 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587930290 NWPJMBBYYULGFC-SCLBCKFNSA-N 346.352 5.036 0 1 EKAF Clc1cnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1Cl 587965345 RFOJKRAIPJZDEA-UHFFFAOYSA-N 334.250 5.104 0 1 EKAF C/C(=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCCCC1 587967921 NSJZFZOYTVEYMV-VKAVYKQESA-N 346.474 6.126 0 1 EKAF CC1(C)CCc2ccccc2[C@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963102739 FZIXIPXOTYMDPJ-NTKDMRAZSA-N 349.493 5.452 0 1 EKAF Cc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1C 1772625254 FDVFEIAHAHRWFK-ROUUACIJSA-N 349.301 5.658 0 1 EKAF CC1=C(/C=C/C(=C/C=C/C(C)=C/CN)C(C)(C)C)C(C)(C)CCC1 1857552943 XTZZGHYFTHNMPO-CHBWLPFHSA-N 327.556 6.503 0 1 EKAF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@@H]2O1 2356413037 KYRQYILNTDFRHT-DSVUQQCSSA-N 336.516 5.429 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O 2356554405 WMICYZWXGIMHIB-UHFFFAOYSA-N 328.496 6.368 0 1 EKAF C[C@@H]1CC=C[C@](C)([C@H]2CCC[C@@H](Cc3cc(O)cc(CCO)c3)C2)C1 2356778781 DMKKXGUPBVXGNO-GPFNJZLUSA-N 342.523 5.268 0 1 EKAF CCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccccc1O 13860560 JSJLLHPAMPKWIX-HNNXBMFYSA-N 341.495 5.707 0 1 EKAF CC(C)c1cc2c(cc1Cl)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2 14410996 LRHCLIUTYPHWLV-YSIASYRMSA-N 334.887 5.558 0 1 EKAF biogenic CC(=O)CCCCCCCCCCCCc1ccc2c(c1)OCO2 14591346 WESJGASUMOLVBD-UHFFFAOYSA-N 332.484 5.838 0 1 EKAF biogenic COc1cc2c(cc1O)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)C1=C2 14683846 BUIFJDSTUGQXPL-BVYCBKJFSA-N 342.479 5.562 0 1 EKAF biogenic CO[C@H](C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959508 NOWHGVZPHVBLSI-CQSZACIVSA-N 347.393 5.069 0 1 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccsc3)[C@H]12 18099460 JDQTXMIXVPJBIO-FXAWDEMLSA-N 347.464 5.528 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(O)c3)c2)cc1 73198803 JOJWYBDEKOXGGY-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(C/C=C(\C)CO)O2 96914572 UXIGFXYZNQRAAP-UYUOKSABSA-N 346.555 5.806 0 1 EKAF CCC1=C[C@H]2Cc3nc4cc(Cl)cc(Cl)c4c(N)c3[C@H](C1)C2 100869886 RSDNICWRHUAZOZ-GHMZBOCLSA-N 333.262 5.510 0 1 EKAF Cc1ccc2cc([C@H]3CC(c4sccc4C)=NN3)c(Cl)nc2c1 103213686 QJKFBJANYRVLCS-OAHLLOKOSA-N 341.867 5.005 0 1 EKAF CC1(C)[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@@H]1C=C(Cl)Cl 103275811 JOJCXIAKLCKOAS-CMPLNLGQSA-N 343.641 5.449 0 1 EKAF Fc1ccc2nc(-c3cncc(-c4ccccc4)c3)c(C3CC3)n2c1 221923487 NWKQRCZVQAUHPU-UHFFFAOYSA-N 329.378 5.080 0 1 EKAF CCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C[C@@H](CC)C(=O)OC 238764146 KIEJHZAXYSCVRF-XSDIEEQYSA-N 340.592 7.015 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C\CC[C@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238785880 QPIUBKNTZMBLLI-KBORHYMSSA-N 348.527 5.044 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@]2(C)CC[C@H](C(C)(C)O)[C@H]12 299844227 QPIUBKNTZMBLLI-CWWKOZGDSA-N 348.527 5.044 0 1 EKAF CCc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1CC 586880337 PMPIIDLRXUMCMJ-UHFFFAOYSA-N 343.268 5.426 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586892793 WOKACFXCTPHUQE-UHLUBPPHSA-N 347.178 5.248 0 1 EKAF Cc1ccc2c3c(cc(C4=CCCCC4)nc13)-c1ccccc1C2=O 587099474 KLJCNXTZWFQTLJ-UHFFFAOYSA-N 325.411 5.712 0 1 EKAF Cc1c(Br)ccc2nc(-c3coc4cc(F)ccc34)[nH]c12 587174577 LDJJSBNJHQFUOO-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C)ccc1C)CC2=O 587487745 HFFVUJARTLEAEQ-QFIPXVFZSA-N 338.447 5.232 0 1 EKAF C[C@@]1(c2cc(F)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504069 MDWKQGPQESWWCI-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF Cc1nccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)csc12 587536622 XYHCLFMADKFAAH-LJQANCHMSA-N 349.455 5.190 0 1 EKAF O=C(c1ccccc1O)c1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12 587634187 DLCXLZDZTGTMQI-UHFFFAOYSA-N 349.336 5.050 0 1 EKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccccc1 587859054 BFNIFUGRROQBFY-UHFFFAOYSA-N 347.245 5.304 0 1 EKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3ccccc3cc2[nH]1 587926685 KVSSJGWWSLWSFV-QGZVFWFLSA-N 346.430 5.275 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587966307 BUFLCKPERXPUES-YRNVUSSQSA-N 342.792 6.385 0 1 EKAF Fc1c(Cl)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1F 587967619 OZOWRNFIZMULTI-UHFFFAOYSA-N 334.797 5.334 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2ccoc12 653887620 WYDLDCSVEFOVIA-ONEGZZNKSA-N 345.364 5.597 0 1 EKAF Cc1cc2c(cc1F)[C@](C)(c1ccc(Cc3ccccc3)cc1)NCC2 962092458 NCQCZDUFVPHREZ-DEOSSOPVSA-N 345.461 5.134 0 1 EKAF Cc1cc(C)cc([C@@]2(CC(C)(C)C)NCCc3cc(C)c(F)cc32)c1 962094632 UAXQJQUQJAQNBT-HSZRJFAPSA-N 339.498 5.576 0 1 EKAF CC[C@H](C)[C@@H]1CCCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963118324 FKXFWNRWGSHMJK-QITLCBANSA-N 326.311 5.571 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C=C[C@@](C)(c1ccccc1)CC2 963240560 KOONRNIJGMHFQY-ZPZUNKDASA-N 345.530 5.846 0 1 EKAF Cc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 13743596 PPFYUSNKVHPQHA-CBQGHPETSA-N 335.491 5.035 0 1 EKAF O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(O)cc3)[nH]c2c1 28125362 NOCSUGAETHZAQM-UHFFFAOYSA-N 335.403 5.286 0 1 EKAF COC(=O)c1[nH]c2ccccc2c1-c1cccc2c1oc1ccccc12 40431057 IRMSDGJUIFSXMD-UHFFFAOYSA-N 341.366 5.521 0 1 EKAF c1ccc(-c2cc([C@H]3[C@@H]4CC[C@H](C[C@H]3c3ccccc3)S4)on2)cc1 66111515 GGNBFDVFZAGDEV-KSCDAYEDSA-N 347.483 5.877 0 1 EKAF c1ccc(Oc2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)cc1 586881254 RTYHXTPLWNYINU-UHFFFAOYSA-N 340.426 6.290 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(C)cnc(Cl)c2[nH]1 587067129 VHSZVYKREFZIFP-SNVBAGLBSA-N 336.222 5.022 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc3ncccc3c2[nH]1 587171313 LXFYWQVAVKKLBU-GFCCVEGCSA-N 337.423 5.146 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3C1CC1 587206686 GTMVEVFCQAITRZ-AWEZNQCLSA-N 325.411 5.276 0 1 EKAF Cc1c(-c2ccc(O)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587207301 RBBCAQJMZUBJSF-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CC(C)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208432 WIVWRQXTTWRYGT-CQSZACIVSA-N 327.427 5.207 0 1 EKAF O=C(c1ccc(Oc2ccccc2)cc1)c1coc2ccc(Cl)cc12 587279037 UTOCTTAFOBEJOW-UHFFFAOYSA-N 348.785 6.110 0 1 EKAF O=C(c1cc(Br)cs1)c1coc2ccc(Cl)cc12 587279522 XKCNXECTLYNIKZ-UHFFFAOYSA-N 341.613 5.141 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc(C(C)C)cc1 587627051 MMFJOIFFWFQQJB-UHFFFAOYSA-N 340.854 5.814 0 1 EKAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2cc(Cl)c(F)cc12 587628536 NIQWWZVRFSVAKT-UHFFFAOYSA-N 338.165 5.189 0 1 EKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1 587633378 BVPRVFPQBJGHJO-UHFFFAOYSA-N 335.300 5.119 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3cccc(C)n3)c2c1 587640646 HRPCVDRILJBIPN-LLVKDONJSA-N 332.369 6.071 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(Cl)cc3)c2c1 587642175 QBWCZCUPDYRXPN-LBPRGKRZSA-N 325.839 5.874 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3nccn3C)c2c1 587644073 ZPAAAKGCHCXSJX-OAHLLOKOSA-N 329.447 5.749 0 1 EKAF CCC[C@H](C)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587810629 DFTFVWBPTCTIBA-JKDFXYPNSA-N 342.296 5.164 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949278 DTMNEEQYNUAEHS-OUKQBFOZSA-N 340.426 6.142 0 1 EKAF FC(F)(F)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587965382 RTDKSNUZHQBVRS-UHFFFAOYSA-N 332.369 5.421 0 1 EKAF COc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Cl 587967842 JXISGFJKPAOSEY-KTKRTIGZSA-N 334.806 5.549 0 1 EKAF FC(F)(F)c1ccc(O[C@@H](CCN2CCCC2)c2ccccc2)cc1 1857628984 ZUPZCTNIDRFPAZ-IBGZPJMESA-N 349.396 5.311 0 1 EKAF CCc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1Cl 39214814 FJTIBRMWIOXAPP-UHFFFAOYSA-N 336.826 5.379 0 1 EKAF CC(C)C[C@H](N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 66078396 PKNHHRUELROULR-SFHVURJKSA-N 342.354 6.172 0 1 EKAF Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1O 73224298 YJOYGCXDJCBBAL-UHFFFAOYSA-N 344.720 5.017 0 1 EKAF CCc1ccc(-c2cc(N[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)ncn2)cc1 82162451 CYXGTBFQZZISCC-ZWQIFLOQSA-N 335.495 5.189 0 1 EKAF CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 100677237 VTMYVHUVFCBIIO-UHFFFAOYSA-N 339.870 5.474 0 1 EKAF CC1=Nc2ccccc2C[C@H](c2ccccc2)N1CC1CCCCC1 100886900 LYWSIHAOPRXLTB-HSZRJFAPSA-N 332.491 5.916 0 1 EKAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1n3c(cc4ccccc43)C[C@]12C 238757306 OZJHCMYAXLCFKU-CQIJRDABSA-N 335.491 5.550 0 1 EKAF C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc2ccccc2c1 473096126 YUSWOXUATYGWRX-IUEMXHTNSA-N 348.530 6.774 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586882924 CXJJAHZPQZXUGV-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896892 LLUNNDLXYIFDOV-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF Cc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164742 VWJYOOUGGDETPH-VBKFSLOCSA-N 334.419 5.661 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3sccc3c1)CC2=O 587494029 HPDQKZQHPMFRRY-GOSISDBHSA-N 338.428 5.266 0 1 EKAF CC(C)c1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526918 XWPNSUMTOLQHPQ-XMMPIXPASA-N 348.486 5.655 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2c(C)cc(Cl)cc12 587625006 YFTIDPYSDMGMBH-UHFFFAOYSA-N 345.801 5.421 0 1 EKAF Cc1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(Cl)c(Cl)c1 587637540 CGPMMPUORFBOTL-UHFFFAOYSA-N 334.202 5.072 0 1 EKAF CCCCN(CCCC)CCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1857650118 LULZKQIRLWQMTP-WAOWUJCRSA-N 337.548 5.037 0 1 EKAF Cc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(-c3ccccc3)cc2)n1 61903338 WMJKFHHQWOASGQ-QFIPXVFZSA-N 340.426 5.134 0 3 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@H]1CC[C@H]3O1 101854129 PXSMEPRWQNYAIL-WOJBJXKFSA-N 331.459 6.049 0 3 EKAF Cc1ccc(-n2ncnc2-c2ccc(Cl)cc2Cl)cc1Cl 218660 ZFXSPHKLPDHRRL-UHFFFAOYSA-N 338.625 5.203 0 1 EKAF O[C@]1(c2ccccc2)[C@H]2CC=C[C@H]2C1(c1ccccc1)c1ccccc1 5732846 YZUUYMMQSJASJE-GIFXNVAJSA-N 338.450 5.066 0 1 EKAF c1ccc(CCCCCCSc2ncc(-c3cocn3)o2)cc1 28351352 AWSSRITWPYPATK-UHFFFAOYSA-N 328.437 5.225 0 1 EKAF CC(/C=C/C[C@H](C)CCCC(C)C)=C\C(=O)OCc1ccccc1 29316829 PWLQEZQQUJMSGG-LADKJFAQSA-N 328.496 6.085 0 1 EKAF CC[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 40940073 HHRVQORAXYQVHM-FQEVSTJZSA-N 343.898 5.646 0 1 EKAF CC/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 45374875 UOIJHEQXCGDHBU-NEGRFMFVSA-N 326.480 5.593 0 1 EKAF CSc1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1 64513018 PEAMXKJSZWDSOM-UHFFFAOYSA-N 334.419 5.758 0 1 EKAF CC(C)Oc1cccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)c1 74387040 HVQJTKCPUKKMAU-UHFFFAOYSA-N 349.459 5.822 0 1 EKAF COc1ccc(/C=C/CCO[C@]2(C)CC[C@]3(C(C)C)C[C@H]23)cc1OC 238737391 RNAXNNLWEJACQM-MYVNUALDSA-N 344.495 5.339 0 1 EKAF CC(C)Cc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521847 GOMSITJRRVZENT-XMMPIXPASA-N 348.486 5.645 0 1 EKAF CC(C)(C)[C@@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587524679 LVZIXEUQAPZECQ-HXOBKFHXSA-N 340.507 5.896 0 1 EKAF O=C1C[C@@H](c2ccccc2-c2ccco2)Oc2c1ccc1c2CCCC1 587529402 BJLXKWPAULMZKH-QFIPXVFZSA-N 344.410 5.532 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587952329 OYBATHQGTQEISC-FOGDFJRCSA-N 342.270 5.311 0 1 EKAF COc1ccc(CCCCCCCc2ccccc2O)cc1OC 1857753580 QWLVQLPCZHNZOT-UHFFFAOYSA-N 328.452 5.145 0 1 EKAF CCC=CCC=CCC=CCC=CCCCCc1cc(O)cc(O)c1 2356625457 NFGWJVSRVVXHIT-UHFFFAOYSA-N 340.507 6.616 0 1 EKAF CSc1ccc(CN2CC[C@@](C)(Oc3cccc(Cl)c3)C2)cc1 61930732 AVWIICFPPISDNI-LJQANCHMSA-N 347.911 5.105 0 3 EKAF CO[C@]12CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 34326443 FCFUSYHGZLEMJM-KBDLDJDESA-N 346.511 5.123 0 1 EKAF Clc1ccc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)o1 45373412 VLPILZXKYILJRA-UHFFFAOYSA-N 343.860 6.452 0 1 EKAF CN(C(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccccc1 49785774 BKHWOWXMPNRNDP-UHFFFAOYSA-N 327.855 5.205 0 1 EKAF Cc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)cc1 71319393 NMUUFRDTPRFAER-UHFFFAOYSA-N 345.442 5.291 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184812 LNZVFVDXQMOFRR-VFJSLWSUSA-N 332.528 5.900 0 1 EKAF Cc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccccc2)s1 103175084 OVEUQUSJXDUBKT-UHFFFAOYSA-N 344.386 5.308 0 1 EKAF COc1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048226 GJZSKVLAOLGPLK-VHSXEESVSA-N 333.218 5.149 0 1 EKAF CC(C)CC[C@@]1(c2ccoc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531884 INUHZVLDOAEKKO-QFIPXVFZSA-N 338.447 5.455 0 1 EKAF CCCC[C@H](CC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819009 KMJZCVKJNMPITL-NVGCLXPQSA-N 342.296 5.380 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(N)cc3Cl)n2)cc1 587924577 DFMQUAKXTHGQFN-UHFFFAOYSA-N 332.881 5.435 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2cc1C 587930593 FFMIURXABLUUPR-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(SC)cc4[nH]3)ccc2c1 587934648 LPDRSPAISPSEJG-CYBMUJFWSA-N 348.471 5.598 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587950301 AWAIOJQACFVPKS-SCVCMEIPSA-N 342.270 5.311 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2c(F)cnc(Br)c2[nH]1 587966254 BMZFFQXCSNLXOU-YFHOEESVSA-N 338.224 5.009 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587967154 ICXXRLDMUZIUOW-YRNVUSSQSA-N 326.337 5.871 0 1 EKAF COc1cccc(-c2ccc3c(c2)CCCN(Cc2ccccc2)C3)c1 1857630555 HARWPKOPJYALIX-UHFFFAOYSA-N 343.470 5.311 0 1 EKAF Cc1cc(C)c2sc(NC(=O)[C@@H]3C[C@H](C)CC(C)(C)C3)nc2c1 1857771812 XGDFSTRJWJEPKI-GXTWGEPZSA-N 330.497 5.314 0 1 EKAF CC(C)=CCCC(=CCCC(C)=CCc1cc(O)ccc1O)CO 2356435147 SNVNUOWZKGGIRP-UHFFFAOYSA-N 330.468 5.032 0 1 EKAF CC(=O)O[C@@H]1CC(C(C)C)=CC=C(C)CCC=C(C)CCC=C1C 2356543881 VBJWNHGUYDLOJR-JOCHJYFZSA-N 330.512 6.304 0 1 EKAF CCOc1c(C(C)C)cc2ccc(C)c3c2c1O[C@H](C=C(C)C)[C@@H]3O 14690319 OTUPBCGZQLZEQS-XLIONFOSSA-N 340.463 5.431 0 1 EKAF biogenic O=C(O)Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 26544413 QXUJSELRLOECDC-UHFFFAOYSA-N 348.242 5.018 0 1 EKAF Cc1cccc(Nc2nc(-c3ccncc3-c3ccccc3)cs2)c1 72113249 LDVOXXSNAQINOP-UHFFFAOYSA-N 343.455 5.924 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCC3)ncc2c1 169699918 FBPUBMIRGMYTSC-UHFFFAOYSA-N 334.394 5.088 0 1 EKAF CCSCCN[C@@H](CC)C1(c2ccc(Cl)c(Cl)c2)CCC1 219099283 QWPALKWPYKKFAT-INIZCTEOSA-N 346.367 5.536 0 1 EKAF CC(C)CCCCCCCCCCCC/C=C\OC[C@@H](O)CO 238742563 NMFGSVYEWMRKOM-HZMYXVCSSA-N 328.537 5.207 0 1 EKAF Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCC(C)C 299854168 VIQQAJRSPFRBCZ-UHFFFAOYSA-N 343.210 5.161 0 1 EKAF CC(C)c1cc(-c2nc3cc(Cl)ncc3[nH]2)c(O)c(C(C)C)c1 586896806 QKAOKLVQXUNYDN-UHFFFAOYSA-N 329.831 5.231 0 1 EKAF Cc1cc2c(Br)ccc(-c3nc4cccc(F)c4[nH]3)c2o1 587003806 MWDKNYRIKRTYDG-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF Cc1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1C(F)(F)F 587095705 RQZYZCWIELQPGE-UHFFFAOYSA-N 347.384 5.173 0 1 EKAF CCC(=O)Nc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1 587920148 GIORMHVFSXZQIC-UHFFFAOYSA-N 336.460 5.442 0 1 EKAF c1ccc(Sc2ccc3nc(CC4CCCCCC4)[nH]c3c2)cc1 587961059 PDGWJZBFOYIMJQ-UHFFFAOYSA-N 336.504 6.227 0 1 EKAF Oc1nc(-c2ccccc2)c2cc(-c3cnc4ccccc4c3)ccc2n1 1772570795 IWYMLMNMKZCSCD-UHFFFAOYSA-N 349.393 5.218 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1coc2ccccc12 1772615842 LBJCWPHVOZNRSH-SNAWJCMRSA-N 346.257 5.885 0 1 EKAF CC(C)=CCc1ccc2c(c1O)C(=O)C[C@H](c1ccc(Cl)cc1)O2 1857651723 SWOXJHNRBMDZIQ-GOSISDBHSA-N 342.822 5.261 0 1 EKAF CCOC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356679909 LYYQEUOQFQMYRP-NYVOZVTQSA-N 344.495 5.053 0 1 EKAF CCCC1=C(O)C(CCC)(CCC)N[C@@H]2CC(CCC)(CCC)N=C12 2356825772 HFVNBLXCSHMWFB-GOSISDBHSA-N 348.575 6.093 0 1 EKAF C[C@@H](C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 13493470 HCFXLIDWFGBUOO-GOSISDBHSA-N 332.491 5.071 0 1 EKAF Cc1[nH]c2ccccc2c1CCCCN1CC=C(c2ccccc2)CC1 13728607 VPAZYSLQUPECFV-UHFFFAOYSA-N 344.502 5.588 0 1 EKAF CC(C)(CCCC/C=C(/c1cccnc1)c1cccs1)C(=O)O 26738714 OIDZFKHFAZUXHF-SXGWCWSVSA-N 329.465 5.246 0 1 EKAF Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1Cc1ccccc1 28391308 PQQRKPXQTFWJHH-UHFFFAOYSA-N 334.507 5.058 0 1 EKAF Cc1ccc(Oc2ccc(CC(C)C)cc2Cl)c(CC(=O)O)c1 28765613 UOBBJOCWQFBNEZ-UHFFFAOYSA-N 332.827 5.266 0 1 EKAF CC1CCN(c2ccc(Cl)cc2C(=O)c2ccc(Cl)cc2)CC1 29320148 CAZABCMZCWFJGT-UHFFFAOYSA-N 348.273 5.461 0 1 EKAF CCn1c(-c2ccccc2)c(C2=CC[C@H](C(=O)O)CC2)c2ccccc21 29395366 NUVRAOKMASVDRS-SFHVURJKSA-N 345.442 5.596 0 1 EKAF CC(C)CCCCCCCCCCCCCCCCCCCO 33996979 BTDOKCKNOMJKRY-UHFFFAOYSA-N 326.609 7.657 0 1 EKAF in-vitro CCCOc1ccc([C@](C)(O)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 49111252 LMPYMKPKXJBEDP-XKWBZKFOSA-N 328.496 5.622 0 1 EKAF CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)(C)C1 71789452 ZSHBZCXOMHHPCE-OYRHEFFESA-N 338.624 6.021 0 1 EKAF C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@H]1C 73387996 XVWDFPZSRGALNR-WTLGNFPFSA-N 344.499 5.152 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587027346 CCWXEAVOGKKVGU-UHFFFAOYSA-N 348.353 5.009 0 1 EKAF Fc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587049504 MBORHHQGYIMTRZ-SFYZADRCSA-N 339.172 5.419 0 1 EKAF Cc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Cl 587086207 XFXJXULKBJFLAL-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Cc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783620 CSJVQDWTYMRDHI-QINSGFPZSA-N 340.426 5.621 0 1 EKAF CCCCC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587815098 YIRULLVDMLPHHV-PXAZEXFGSA-N 342.296 5.308 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@H]3COC(C)(C)O3)CC[C@@]21C 2356481716 ZGIVIADXUJJMPO-VEITXCBESA-N 346.555 6.107 0 1 EKAF CCC[C@@H](C)C[C@H](C)C=C(C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356484390 SAHYKMIMGJKBCR-KGLIPLIRSA-N 332.484 5.774 0 1 EKAF C[C@@H](c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743073 SEPMSBSPXGWXQU-HNNXBMFYSA-N 336.475 5.886 0 1 EKAF C(=C/c1ccccc1)\CN(Cc1cccc2ccccc12)c1ccccc1 28241948 XBCYGAVCKBVRLL-JLHYYAGUSA-N 349.477 6.560 0 1 EKAF CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 31261530 YUFFSWGQGVEMMI-KBRNBYEHSA-N 330.512 6.773 0 1 EKAF O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1ccccc1-3 36350481 HBGPABVOJDCWGZ-UHFFFAOYSA-N 331.415 5.416 0 1 EKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccccc2)cc1 40936467 NPKCKFLDJLLPNF-UHFFFAOYSA-N 331.415 5.304 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(O)cc3)n2)cc1 49126379 IBSMYZWPFYTQHL-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF in-vivo CCCC[n+]1ccn([C@H](C)c2ccc3oc4ccccc4c3c2)c1C 96915319 OKXIEWDRZDSSND-MRXNPFEDSA-N 333.455 5.393 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@@](C)(C[C@@H]41)O3 100773101 SCQKOFCBSCEEQG-DGGJZMOXSA-N 331.459 5.886 0 1 EKAF endogenous,in-man CC(C)=CCC[C@H](C)CCOC(=O)/C=C/c1ccc(C(C)C)cc1 103180453 OYAVHQFLEXUDGV-VUVZNRFTSA-N 328.496 6.139 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)OC 143519877 AGUQEYSQOOHOBF-AIBIWWTJSA-N 347.543 6.152 0 1 EKAF CC[C@@H]1CC[C@@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991116 IYSIHCOULVQQIE-CHWSQXEVSA-N 343.426 5.543 0 1 EKAF COc1cc(OC)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587053494 DPAWQRQGFBQBGW-SREVYHEPSA-N 349.217 5.057 0 1 EKAF C[C@H](c1ccccc1)c1cnc2cccc3c2c1-c1ccccc1C3=O 587207173 JHWOQOQSOIRDIH-OAHLLOKOSA-N 335.406 5.598 0 1 EKAF Cc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1CC3 587210294 NGQCGCHMQOGPND-UHFFFAOYSA-N 342.211 5.210 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(C(C)(C)C)cc31)O2 587406511 HXTHSAPTYDDQNW-QHCPKHFHSA-N 349.474 5.072 0 1 EKAF CC(C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522493 IEWHKNVAFMVMOR-HSZRJFAPSA-N 334.459 5.168 0 1 EKAF Cc1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2cc1C 587529386 BBUWLPIBOLNCLB-QFIPXVFZSA-N 346.426 5.635 0 1 EKAF Cc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1 1857616545 WDQGWHAZWUDFJE-UHFFFAOYSA-N 330.412 5.784 0 1 EKAF CC(=O)O[C@@H]1CC[C@](C)(O)C=C[C@@H]2CC[C@@H](C(C)C)[C@]2(C)CC=C1C 2356794175 KZBAFHDIJTZFSN-VNXMGFANSA-N 348.527 5.044 0 1 EKAF COc1cc2ccc(-c3ccccc3)c3c2c(c1OC)CC[C@@H]3OC 13480691 WJBBEMMDVVGLCP-SFHVURJKSA-N 334.415 5.158 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@H]1CCC(=O)O1 28130317 QYBQNKQUPKDTKI-DIOAGQQISA-N 340.507 6.390 0 1 EKAF Clc1cccc(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1 28459632 CZDABRRFZUYXPK-UHFFFAOYSA-N 349.821 5.621 0 1 EKAF CCCCCn1c(C)c(C(=O)Cc2ccccc2F)c2ccccc21 28469788 SMBDYSPMOWAQKQ-UHFFFAOYSA-N 337.438 5.704 0 1 EKAF in-vivo F[C@H]1CCc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc21 28572352 AOVZEJRHIVGBCA-JTQLQIEISA-N 339.119 5.155 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@](C)(CCC=C(C)C)C=C2 95580523 UAJYKGPSRWOQCL-QKKBWIMNSA-N 344.451 5.237 0 1 EKAF Cc1ccc([C@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203814436 MJSWJWIRIXUTEM-GOSISDBHSA-N 336.435 5.047 0 1 EKAF Oc1ccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)cc1 473248063 LHHJOJASFULAAY-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF Cc1cc2c(Br)ccc(-c3nc4cccc(C)c4[nH]3)c2o1 587003779 MLFNOKDNDJEZAG-UHFFFAOYSA-N 341.208 5.355 0 1 EKAF Fc1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083536 YSZCYABNYNUEIO-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF COc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1C 587097999 MYDZDCYUBWVKBX-LLVKDONJSA-N 334.341 5.051 0 1 EKAF Clc1ccc(-c2cc(-c3cc4c5c(cccc5n3)CC4)on2)cc1 587209023 FYRZCUBOJMYHEP-UHFFFAOYSA-N 332.790 5.309 0 1 EKAF Cc1ccc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587565687 PWXPBKYGLZTUAE-UHFFFAOYSA-N 338.354 5.062 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587641240 LONQNHAEGHEDOT-QMMMGPOBSA-N 333.300 5.370 0 1 EKAF CCCN1[C@@H](c2cccc(OC(F)(F)F)c2)c2ccccc2C[C@H]1C 963240547 KLDFIVUYJPRHOF-KUHUBIRLSA-N 349.396 5.331 0 1 EKAF Cc1ncccc1NCc1cn(Cc2ccccc2)c2ccccc12 1772647500 OPPOPARZORTFOP-UHFFFAOYSA-N 327.431 5.005 0 1 EKAF Clc1ccc(-c2c3c(nn2-c2ccccc2)-c2ccccc2C3)cc1 1857541133 BOBFFQMHFKMQOQ-UHFFFAOYSA-N 342.829 5.764 0 1 EKAF CC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccc(Cl)cc12 1857643316 VMXYMVATQMWGTE-UHFFFAOYSA-N 334.806 5.600 0 1 EKAF CC[C@@H](O)CCCCCCCCCCCCCCCCC(=O)OC 2356579795 FDEFIHKTZLYAAZ-HXUWFJFHSA-N 342.564 6.172 0 1 EKAF CC(C)=C1CC[C@H](C)[C@@](C)(Cc2c[nH]c3ccccc23)[C@H]1CCCO 2356597884 XKDCSKJZLVZVRD-JWNTYJGQSA-N 339.523 5.872 0 1 EKAF CC1(C)C(=O)OC2=C(CCCC2=Cc2ccccc2)[C@@H]1c1ccccc1 2356716954 CHQRLLBSJDTXKD-NRFANRHFSA-N 344.454 5.875 0 1 EKAF COc1cc(Nc2ncc(-c3cccc(C)c3)o2)ccc1-c1cnco1 3594954 LTCWQYVOXOEXLQ-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF CCCCCCC(CCCCCC)OC(=O)c1cnc(Cl)cn1 5973019 BBAANRPKFQHAOJ-UHFFFAOYSA-N 340.895 5.596 0 1 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCCCN1CCCC(C)(C)C1 13781291 BECJZVZTAGLHBZ-IBGZPJMESA-N 343.555 5.798 0 1 EKAF COc1ccc([C@H]2CCc3ccc(OC)c(CC=C(C)C)c3O2)cc1 15115017 YVUIGWVIBZIHEC-HXUWFJFHSA-N 338.447 5.279 0 1 EKAF biogenic Cc1ccc(O)cc1Nc1ccnc2cc(-c3ccccn3)ccc12 28823953 BKDBTNDUTIFYHL-UHFFFAOYSA-N 327.387 5.054 0 1 EKAF Cc1ccc2ccccc2c1[C@@H](CC1CCCCC1)P(=O)(O)O 29482313 KULGIRHRQYXLAN-GOSISDBHSA-N 332.380 5.337 0 1 EKAF Cc1cc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)n1 36352023 RHBJJVOMMCNWEU-UHFFFAOYSA-N 326.827 5.030 0 1 EKAF Sc1nnc(-c2ccccc2Oc2ccccc2)n1-c1ccccc1 43068944 YWCZTMHKOVELHZ-UHFFFAOYSA-N 345.427 5.015 0 1 EKAF O=C(C[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(O)cc1 72113511 AWOCUQKRCQWGKX-OAQYLSRUSA-N 334.440 5.499 0 1 EKAF O=C(CF)N(Cc1cccs1)c1ccccc1Oc1ccccc1 84708704 NJRPHNAHOZZLTG-UHFFFAOYSA-N 341.407 5.043 0 1 EKAF Cc1cnc(Nc2ccc(Oc3ncccc3C3CC3)cc2)c(F)c1 139303702 FSNPNYLOTUHRKH-UHFFFAOYSA-N 335.382 5.337 0 1 EKAF Fc1cccc(F)c1/C=C/c1n[nH]c2cc(-c3ccncc3)ccc12 166793962 VTNHLEFXXNXTJA-VOTSOKGWSA-N 333.341 5.074 0 1 EKAF CCCC/C=C\CCCCCCCCCCCCCCOC(C)=O 238779510 GWNRZLCMKVGFLN-SREVYHEPSA-N 338.576 7.367 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccc(O)c2)C1 299832116 RTOUTFVQBVFHIY-KRWDZBQOSA-N 328.843 5.399 0 1 EKAF COc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1F 586896117 GOLDHBPVPIIXOU-UHFFFAOYSA-N 342.414 5.330 0 1 EKAF CC(C)Oc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088398 ZREKIKSHSKSKDL-UHFFFAOYSA-N 325.799 5.152 0 1 EKAF [C-]#[N+]c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105314 YBHQRZVBSPMMEK-UHFFFAOYSA-N 332.362 5.664 0 1 EKAF FC(F)(F)c1ccccc1Cc1nc2cc3ccccc3cc2[nH]1 587107363 JCYWCBIWOKLVAN-UHFFFAOYSA-N 326.321 5.326 0 1 EKAF CCc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113128 RYMAIKVRLSDGPP-UHFFFAOYSA-N 341.336 5.359 0 1 EKAF Fc1cc(F)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587146058 XMPFXQPNFRGFMQ-UHFFFAOYSA-N 342.295 5.453 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1C)CC2=O 587462631 PUWLGFUOCXHRSD-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CCCCC/C=C/CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520703 AJKNCOICCGQPHC-IPLHWJFFSA-N 326.480 5.816 0 1 EKAF CCCCCc1ccc([C@@]2(C)NCCc3c2sc(C)c3C)cc1 963031165 SXCWXZCIMJZXSC-OAQYLSRUSA-N 327.537 5.507 0 1 EKAF CCCCCC=CCC=CCCCCC=CCCCCCC(=O)O 2356312579 GUHKSOUIJGCNGR-UHFFFAOYSA-N 334.544 7.221 0 1 EKAF CCC[C@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CCC 13557159 MKSJBHCJLVFXFE-IYBDPMFKSA-N 348.486 5.953 0 1 EKAF CCCN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835786 NNNDXILSDZTFTR-QFBILLFUSA-N 334.290 5.912 0 1 EKAF C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@@]1(C)Cc1c[nH]c2ccccc12 14676720 KKNODFPXRCYCJH-JCKOGICLSA-N 337.507 5.480 0 1 EKAF biogenic CCC[C@H](C)CCCCCCCCCCCCOC[C@@H](O)CO 15261822 PHKJZBSOHSECGN-PMACEKPBSA-N 330.553 5.084 0 1 EKAF biogenic O[C@@]1(c2ccccc2)[C@@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 17158909 YZUUYMMQSJASJE-ARNLJNQMSA-N 338.450 5.066 0 1 EKAF CCS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1 26188332 OGHHGUOQXRJFGQ-UHFFFAOYSA-N 346.448 5.015 0 1 EKAF Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl 29060814 AOVDSWPGWPRTSR-UHFFFAOYSA-N 346.213 5.477 0 1 EKAF in-vivo CCC(=O)C(CCCCCCOc1ccc(CC)cc1)C(=O)CC 32138825 RVFUGQLVZZEOKC-UHFFFAOYSA-N 332.484 5.153 0 1 EKAF Nc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1 35259915 VHWRVXJXQJGKCG-UHFFFAOYSA-N 348.446 5.300 0 1 EKAF C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2c(O)cccc2N1 66251611 FQXRRAARSYNTJY-QFIPXVFZSA-N 328.415 5.244 0 1 EKAF Clc1ccc(NCc2cc3ccccc3nc2Cl)cc1Cl 103294749 NAWAKDXDZVNXDQ-UHFFFAOYSA-N 337.637 5.807 0 1 EKAF CCCCCc1cc2c(c(=O)o1)c1ccccc1n2Cc1ccccc1 199499752 VMXNCDWAYZFSPG-UHFFFAOYSA-N 345.442 5.529 0 1 EKAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@]12C)CC(=O)O 238744101 UQUZGMJKYGHBTQ-RLVOKJKJSA-N 336.516 5.039 0 1 EKAF Cc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1C 587033067 QPJPFDLEIPETHP-UHFFFAOYSA-N 333.460 5.188 0 1 EKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]5CC[C@@H]4C5)nc13)-c1ccccc1C2=O 587100072 ZMKFIWNHCVSOIN-QMTMVMCOSA-N 339.438 5.658 0 1 EKAF O=C1c2ccccc2-c2cc(CCc3ccsc3)nc3cccc1c23 587208775 ZZMWZYKTQBHLJZ-UHFFFAOYSA-N 341.435 5.293 0 1 EKAF CCOCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361802 BHQNQYJPZUIUMN-UHFFFAOYSA-N 333.387 5.193 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@@H]2CC3)c1 587365092 DUXHMAMVFISPPB-UGSOOPFHSA-N 341.410 5.706 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccs3)s1)O2 587410852 QIXAELPWYVHAOF-CQSZACIVSA-N 341.457 5.074 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(C)=O)c2c1 587641112 JXBDKQYSQIHDJN-MRVPVSSYSA-N 333.300 5.538 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)o3)c2c1 587641585 MXLMLMJSJOQQII-JTQLQIEISA-N 349.352 5.833 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3ccnc4cc(Cl)ccc34)n1)O2 587873425 BEZBOXYNUFISFU-UHFFFAOYSA-N 337.741 4.986 0 1 EKAF Oc1ccc(-n2c(O)cc(C3CCCCC3)c2O)cc1-c1ccccc1 587925071 FIUUHQVRAJHPAQ-UHFFFAOYSA-N 349.430 5.309 0 1 EKAF CC(=CC=C[C@@H](C)CCC[C@@H](C)CC(=O)O)CCCc1ccoc1 2356799792 UVZVFURLBKZRAY-IEBWSBKVSA-N 332.484 6.022 0 1 EKAF CC(=O)O[C@@H]1C[C@]2(C)CCC3=C(C(C)C)CC[C@]3(C)[C@H]2C[C@@H]1C(C)=O 14513076 MMXWAARCULBEKT-ICGSVKGVSA-N 346.511 5.086 0 1 EKAF biogenic CC(C)(C)c1cc(C(=O)c2ccccc2Cl)cc2c1OCC2(C)C 40632383 KJJSUDAALFJPTI-UHFFFAOYSA-N 342.866 5.539 0 1 EKAF Cc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84726823 UQVXMRDUXLDHHY-XMMPIXPASA-N 349.433 6.077 0 1 EKAF O=C(O)[C@@H](C/C=C/CCCCCCCC[C@@H]1C=CCC1)CCCO 85489319 YEAXILKLGNDILA-UNQHYNRVSA-N 336.516 5.493 0 1 EKAF biogenic,in-vitro COc1ccc(CN[C@H]2C[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 261146790 OBLOMJHBFQVWLX-GOTSBHOMSA-N 345.442 5.133 0 1 EKAF Clc1cc2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2cn1 587084814 ILPAQBYMTFQHLU-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Clc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c(Cl)n1 587086162 VEPFRDRKDMCYNY-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1 587146545 PRIZFCOMZGDFAN-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF Clc1ccccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)s1 587360785 PWZCNWWWQOWHPS-UHFFFAOYSA-N 347.870 6.382 0 1 EKAF C[C@]1(c2c(F)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506694 OGXKXGKJZZVIIN-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF O=C1C[C@H](c2cccn2C2CCCCC2)Oc2c1ccc1c2CCCC1 587513958 VXICEPIVTXSBIT-JOCHJYFZSA-N 349.474 5.579 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)C)c2c1 587641673 ODLIGPQVJIMLLL-CQSZACIVSA-N 325.883 7.125 0 1 EKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587643614 VNLFFQXBHZQCKY-ZIAGYGMSSA-N 344.499 5.830 0 1 EKAF CC(C)C(=O)[C@@H]1CCCC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962667666 NWPKHQZBJWOGHC-UPVQGACJSA-N 347.502 5.110 0 1 EKAF Brc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1 1857562777 CJPJRGOFUZQGNL-UHFFFAOYSA-N 325.209 5.003 0 1 EKAF Cc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1857628022 FQIXGQRBGFBQSP-IRXDYDNUSA-N 335.274 5.350 0 1 EKAF CC(=CCCc1ccoc1)CC=C[C@@](C)(O)CC=Cc1ccoc1 2356447788 DZEFKZQONVGMNQ-OAQYLSRUSA-N 326.436 5.552 0 1 EKAF Clc1cc(Cl)c2nc(-c3ccco3)c(-c3ccco3)nc2c1 1508085 MXPSMPNXHOOLCO-UHFFFAOYSA-N 331.158 5.457 0 1 EKAF COc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1C 1633256 FFAKJAIQHPBXPV-MKMNVTDBSA-N 340.463 5.153 0 1 EKAF Cc1occc1C(=S)Nc1ccc(Cl)c(OCCC(C)C)c1 13474508 RACYHELXUARKEK-UHFFFAOYSA-N 337.872 5.454 0 1 EKAF CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 13760805 YFNAXUOEWYCQHW-NWWWSWJSSA-N 346.555 5.375 0 1 EKAF CC[C@@H](C)c1ccc(N(Cc2ccc(C(C)(C)C)cc2)C(=N)N)cc1 13780671 PCNGUPKDPXYTLZ-MRXNPFEDSA-N 337.511 5.398 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCCCC(=O)OC 14591166 IOOSSZGDUSBSRF-NRFANRHFSA-N 340.592 7.447 0 1 EKAF biogenic CCC1=CC=C[C@@H](CO)[C@]2(C)CCCC[C@]34CC(C)(C)C[C@@]3(C)C1=C24 64513838 FZODMLXLGWSYPA-ZQAWKMMESA-N 340.551 6.204 0 1 EKAF c1cnc2c(-c3cc4ccc(CC5CCCCC5)cc4[nH]3)n[nH]c2c1 66079102 WWCDZPIEXRYWAY-UHFFFAOYSA-N 330.435 5.229 0 1 EKAF C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)\c1ccc2ccccc2n1 96142725 VRBTZFLJJHMVLN-WUKNDPDISA-N 346.433 6.554 0 1 EKAF C[C@H]1C[C@H](C)[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 103227109 XBTNMOPAIXKVGQ-NYXXWNEKSA-N 340.507 5.432 0 1 EKAF Oc1ccc(-c2cc(-c3ccncc3)c3c(n2)-c2ccccc2C3)cc1 473249081 STUVXDMUZKSFNJ-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CSCC(C)(C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586968410 DDJZTSPNUGEVPA-UHFFFAOYSA-N 328.506 5.355 0 1 EKAF CC(C)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991748 WFTKVZGFXMRKGQ-CYBMUJFWSA-N 343.426 5.228 0 1 EKAF Fc1cc2[nH]c(CSCc3ccsc3)nc2cc1C(F)(F)F 587027136 PSJYZMKWRMTZBL-UHFFFAOYSA-N 346.374 5.216 0 1 EKAF Cc1nccc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587126582 ZOYVNPHAUNWWND-QPJJXVBHSA-N 335.354 5.049 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cc(F)c(C)cc3Br)nc2c1 587137910 RZMPSKHGCHJXBK-UHFFFAOYSA-N 333.204 5.057 0 1 EKAF Cc1cc(Cl)cc2c(C(C)C)c(Cc3cccc(Cl)c3)[nH]c12 587623886 BPXAYCDWONFEEC-UHFFFAOYSA-N 332.274 6.497 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3cccc(C(F)(F)F)c3)c2c1 587641455 IYYHZNLLDKPMHX-CYBMUJFWSA-N 345.408 6.599 0 1 EKAF FC(F)(F)Sc1ccc2nc(CC3CCCCCC3)[nH]c2c1 587960710 MPACDRBMKDSQCZ-UHFFFAOYSA-N 328.403 5.688 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C1 587970086 YJNVTGBLOMQDRA-GHMZBOCLSA-N 342.430 6.105 0 1 EKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C(C)C)c2cc(C)c(OC)cc2[C@@H]1C 2356389068 FVXRNEBVBKNUDR-RZQQEMMASA-N 330.468 5.128 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCC[C@@H](O)CO 2356393641 OTUCJSRSPDSAQO-LEWJYISDSA-N 328.581 6.237 0 1 EKAF C=CC(C)=CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356510325 VJDJSELBAMIXHE-SJBKTWHCSA-N 330.512 5.851 0 1 EKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cccn1 45358156 LFHYSENBDFRQJR-CVEARBPZSA-N 338.904 5.345 0 1 EKAF FC(F)(F)c1ccccc1CNc1cc2c(cn1)[nH]c1ccccc12 72175360 LPEBGLAFAMRPMH-UHFFFAOYSA-N 341.336 5.347 0 1 EKAF CCOc1ccc(-c2nc(CN[C@@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72182842 QRURZMVBMFXWEQ-DOTOQJQBSA-N 342.483 5.045 0 1 EKAF CCn1c(C(=O)O)c(Sc2ccc(Cl)cc2)c2cc(C)ccc21 95581826 AGJAKWDRWIQCTO-UHFFFAOYSA-N 345.851 5.472 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Cc3ccccc3)cc21 144800428 RDNPVWAUFBUPRC-FQEVSTJZSA-N 340.344 5.056 0 1 EKAF CC(C)(C)[C@@H]1CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 169343272 PTXFSRFFVSYMDW-OIBXWCBGSA-N 345.530 5.730 0 1 EKAF 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587365883 JLOGDGJMJGOBJH-UHFFFAOYSA-N 341.410 6.006 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(F)cc3)c1)O2 587384026 JBPNWILVNCHWRA-NRFANRHFSA-N 347.389 5.090 0 1 EKAF Cc1c(Cl)ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 587565684 ICROPAWHCIGKLB-UHFFFAOYSA-N 344.842 5.139 0 1 EKAF CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2cccc(F)c12 587636848 LULIICVRNPDTNU-HNNXBMFYSA-N 344.430 5.256 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587930328 ODUQIMKGVJLZCH-ADLMAVQZSA-N 347.245 5.324 0 1 EKAF Cc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Cl 587950973 PJTHEBPFSOGBOY-UHFFFAOYSA-N 330.859 5.010 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356411797 ZETHHMPKDUSZQQ-PLSULTGPSA-N 348.527 5.633 0 1 EKAF CCCN1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 211060896 NSTCFXDQZWDXOA-AJPPRCLOSA-N 336.523 5.659 0 3 EKAF COc1ccc(C(=O)[C@]2(C)C=C(c3ccc(OC)cc3)[C@H](C)C2)cc1 8682277 ZEAIBWYHGRCZBA-QRQCRPRQSA-N 336.431 5.016 0 1 EKAF 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Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(Cl)cc(Cl)c1 587628173 IPADOSYOMMCHRU-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3c(Cl)cccc3Cl)c(C)c2c1 587642824 WEXBEQZSAIDDLZ-LLVKDONJSA-N 332.274 6.964 0 1 EKAF Cc1ccc(CN2CCC(F)(F)[C@@H](CCc3ccccc3)C2)cc1C 1772588943 SXMUZKWPWDKXAI-NRFANRHFSA-N 343.461 5.393 0 1 EKAF CCCCN(CCCC)C(=O)c1cc(-c2ccccc2)sc1N 1772615001 LZABVALYTDBEMU-UHFFFAOYSA-N 330.497 5.040 0 1 EKAF CC[C@H]([C@H]1[C@H](c2ccccc2)[C@@H](C)C(=O)C[C@H]1c1ccccc1)N(C)C 2356842819 MYOLZZIZNJOFGG-YAKIQERHSA-N 349.518 5.119 0 1 EKAF O=C(Nc1ccc(C(F)(F)F)cc1)O[C@@H]1CCC12CCCCC2 96019223 YJGCUEAKSTVZMZ-CQSZACIVSA-N 327.346 5.367 0 3 EKAF Fc1cccc(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 82068420 WBMZLBVKWXDRIE-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF c1ccc(COc2cccc(Nc3ccc4ccccc4n3)c2)cc1 82157646 QPAWJLIMYWZZLX-UHFFFAOYSA-N 326.399 5.557 0 1 EKAF CCN(CC)C(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1 84690321 PQHFFFHQDULZJO-UHFFFAOYSA-N 345.486 5.329 0 1 EKAF S=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccccc1 98085608 BTPUYUSQWPJLAD-UHFFFAOYSA-N 331.484 5.056 0 1 EKAF Oc1c(-c2ccccc2)n(-c2ccccc2)c(=S)n1-c1ccccc1 169719326 HGOKTJCGKAYKMX-UHFFFAOYSA-N 344.439 5.370 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccccc3C3CC3)nc3cccc1c23 587207109 QVXJXYAAQCXXLR-UHFFFAOYSA-N 347.417 5.991 0 1 EKAF Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1F 587210687 VTDJMQZDRWXOED-UHFFFAOYSA-N 339.413 6.115 0 1 EKAF CCCC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366072 QKLYGINTEZOASX-UHFFFAOYSA-N 345.398 5.639 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1Cl)CC2=O 587465270 BWKQWGJLGJIOEQ-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cc(C)cc1C)CC2=O 587479193 BXQDKYLJTYTNCH-QFIPXVFZSA-N 338.447 5.151 0 1 EKAF CC[C@@]1([C@H](C)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524638 PKYXJJOLXQQRDP-MWTRTKDXSA-N 334.459 5.483 0 1 EKAF O=C1C[C@@]2(CC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528223 YZGIILFYWMZOPT-MBSDFSHPSA-N 332.443 5.237 0 1 EKAF O=C1C[C@@H](c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587534889 FTTQIFBRUMTOLI-IBGZPJMESA-N 334.440 5.487 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587930329 ODUQIMKGVJLZCH-BBATYDOGSA-N 347.245 5.324 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cccc(Cl)c3[nH]2)cc1 587958645 DFVIZYWQPNCNBD-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF C[C@H]1C[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)CC(C)(C)C1 1857775034 NLJWGMYYULUAFJ-QWRGUYRKSA-N 336.888 5.351 0 1 EKAF O=C1c2ccccc2CCC[C@@]12N=NC[C@@H]2c1cccc2ccccc12 4419777 QQKNZXTUPKTGRU-GGAORHGYSA-N 340.426 5.347 0 3 EKAF aggregator CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 6671448 ZVRVEIZTDIRSKE-UHFFFAOYSA-N 347.386 5.163 0 1 EKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1-c1ccccc1F 8690121 DOWCOUSZZIZJAK-UHFFFAOYSA-N 344.389 6.200 0 1 EKAF COc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 13456775 JXEYNIDSBCCZBO-BQYQJAHWSA-N 326.436 5.180 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]cn1 26982394 HCHICBFLKPOSSV-LFPDIOOPSA-N 338.495 5.025 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCc1ccc(C=O)[nH]1 49033659 SBTDAFBYYGSBEE-PDBXOOCHSA-N 327.512 6.569 0 1 EKAF O=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1 59871711 SHFHKOOKUXCPPE-UHFFFAOYSA-N 338.428 5.011 0 1 EKAF c1ccc(-c2cc(-c3ccccn3)c3c(n2)-c2ccccc2OC3)cc1 72142773 ISBARHJQBDMKKT-UHFFFAOYSA-N 336.394 5.370 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2)nn1 103295102 QCVKVZFJMSQTPU-UHFFFAOYSA-N 329.325 5.214 0 1 EKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@]1(C)CCc1ccoc1 139857257 NUSPBUAVDKDEAT-BSIFCXSSSA-N 332.484 5.554 0 1 EKAF S=C(Nc1ccccc1)N1N=C2CCCC[C@@H]2[C@H]1c1cccs1 139898695 VQWKGIHKMXIZQJ-YOEHRIQHSA-N 341.505 5.048 0 1 EKAF CC(C)Oc1cccc([C@H]2C[C@H]2c2ccc3cc(C(=N)N)ccc3c2)c1 141274521 AIYYJNSOLWDMRN-YADHBBJMSA-N 344.458 5.182 0 1 EKAF CC(C)=CCC/C(C)=C/CNCCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 169347393 XJZQWBNCSAHKPP-AIBDDGKSSA-N 333.560 5.500 0 1 EKAF c1ccc2c(c1)Cc1c(-c3ccsc3)cc(-c3ccsc3)nc1-2 299825021 USHSCHMLCGPSEG-UHFFFAOYSA-N 331.465 6.110 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(C)nc(C)cc4[nH]3)c2)cc1 586879147 FBPVFAGKPCELSV-UHFFFAOYSA-N 341.414 5.111 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Cl 587023577 MNGMVBXTKPMEKC-UHFFFAOYSA-N 347.852 5.077 0 1 EKAF FC(F)(F)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036572 GJTQSHFMVUNYHS-ZDUSSCGKSA-N 340.395 5.022 0 1 EKAF O=C1c2ccccc2-c2c(Cc3ccccc3F)cnc3cccc1c23 587103951 OSXZRTTVRYEVAS-UHFFFAOYSA-N 339.369 5.176 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587150739 DYPGBWIQIKQRGJ-GHMZBOCLSA-N 338.279 5.131 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587150743 DYPGBWIQIKQRGJ-WDEREUQCSA-N 338.279 5.131 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587163028 ZIWWMFFZHDPTSO-RYUDHWBXSA-N 338.279 5.131 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)cc(F)c2[nH]1 587968781 UBYWWXIRJIDLIL-YRNVUSSQSA-N 337.236 5.614 0 1 EKAF CCCCCC=CC[C@@H](O)C=CC=CCC=CCCCC(=O)OC 2356468674 LVROTUSMCTWPNI-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF Oc1ccccc1-c1nc(-c2nc3ccccc3c3cc[nH]c23)cs1 2356874980 ZXSJQYOLQMMIHI-UHFFFAOYSA-N 343.411 5.212 0 1 EKAF CN(C)c1cccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)c1 74386998 NNKPTPIHLPZIFA-UHFFFAOYSA-N 334.448 5.101 0 3 EKAF Cc1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1 109528 LZKBUFFWOFLEAK-UHFFFAOYSA-N 331.444 5.279 0 1 EKAF Oc1ccc(/C=C2\C3C[C@@H]4C[C@H](C3)CC2(c2ccc(O)cc2)C4)cc1 13644973 IKOQXCJPDQDZTE-LPPDBBBDSA-N 332.443 5.259 0 1 EKAF CCCN(CCC)CCc1cc(F)ccc1OCCc1ccccc1 13795742 QXLDCFDJKDJZRT-UHFFFAOYSA-N 343.486 5.112 0 1 EKAF CN(C)CCNc1cc(Cl)ccc1Sc1ccc(Cl)cc1 26487200 LTQFJIXKCLEBFC-UHFFFAOYSA-N 341.307 5.118 0 1 EKAF O=C(O)CCCCCC(=O)c1sccc1CCCc1ccccc1 26942080 NGJDNMDMIKYLBC-UHFFFAOYSA-N 344.476 5.141 0 1 EKAF C[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27722359 PZHXRKFDWHXRHM-UFBKIKKCSA-N 349.518 5.748 0 1 EKAF C/C(=C\COCCCc1ccccc1)CC/C=C(\C)CCCN(C)C 28899187 ULIFWRJMAXGXAQ-CZYWBIRRSA-N 343.555 5.650 0 1 EKAF CN(c1ccccc1)[C@H](c1ccccc1)c1cn(C)c2ccccc12 71333610 UEGUIZXFANDJHZ-HSZRJFAPSA-N 326.443 5.404 0 1 EKAF CC1(C)[C@H]2CC[C@@H](CNCc3coc(-c4ccccc4Cl)n3)[C@@H]1C2 72182548 FJLZNBZEISACOW-ZQIUZPCESA-N 344.886 5.157 0 1 EKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879616 GVEAQFDOOCORQL-UHFFFAOYSA-N 332.325 5.396 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(F)c(C)c4[nH]3)cs2)cc1 587016019 NGSBAEOTPZFCKV-UHFFFAOYSA-N 337.423 5.363 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(F)cc(F)c4[nH]3)cs2)cc1 587016573 YEZWFHCBYGIRSG-UHFFFAOYSA-N 341.386 5.194 0 1 EKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023057 CVSQVQHXRHQLNB-UHFFFAOYSA-N 339.489 5.712 0 1 EKAF Cc1ccc2c(ccc3nc(-c4cccc(-c5ccsc5)c4)[nH]c32)n1 587027257 TUDOIWPXHRYXOK-UHFFFAOYSA-N 341.439 5.815 0 1 EKAF Cc1c([C@H]2CC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100093 ZYOLYVAOEUZSJV-QGZVFWFLSA-N 327.427 5.577 0 1 EKAF C[C@@H](CC(C)(C)C)c1cnc2cccc3c2c1-c1ccccc1C3=O 587207538 MZSQMGYJVOOKHK-AWEZNQCLSA-N 329.443 5.986 0 1 EKAF Cc1ccc(C2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587527394 UVARTJMLGIEMOI-UHFFFAOYSA-N 332.443 5.155 0 1 EKAF C[C@@]1(c2ccccc2)CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527860 XBBMKTKHTKYGMX-RPWUZVMVSA-N 346.470 5.411 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(Cl)cc(Cl)c1 587629240 ZQBDLGXAYZUJCP-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587951665 IGMVIAPDIVOFRC-CWSCBRNRSA-N 342.270 5.311 0 1 EKAF CC(C)C(=O)[C@H]1CCCC[C@]12NCCc1cc(-c3ccccc3)ccc12 962667664 NWPKHQZBJWOGHC-ISKFKSNPSA-N 347.502 5.110 0 1 EKAF CCCCCc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O 1857561844 ZLONNMXZQQMXJP-UHFFFAOYSA-N 334.415 5.643 0 1 EKAF CC1=Cc2cc(Cl)ccc2OC12Oc1ccc(Cl)cc1C=C2C 1911572262 RUHSHWPVLZVSJC-UHFFFAOYSA-N 345.225 5.981 0 1 EKAF CC(=CCCc1ccoc1)CCCC(C)=CCC[C@@H](C)CC(=O)O 2356719534 ANXQFMAOWXOXSP-LJQANCHMSA-N 332.484 6.166 0 1 EKAF CCc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 6804216 CSVZRSLESIKPMY-NTZWLTRZSA-N 347.458 5.244 0 1 EKAF CCc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(O)cc1 13558371 WWOATKMINQNZFB-UHFFFAOYSA-N 340.426 5.474 0 1 EKAF C[C@H](CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O 13729643 FCBKQQQUBFIBRZ-MRXNPFEDSA-N 349.430 5.172 0 1 EKAF c1ccc(CCCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 27108982 YPYBLULGXVPCAF-WMZHIEFXSA-N 344.502 5.643 0 1 EKAF CN[C@H]1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29487708 YDABULYRFHFFMF-CJNGLKHVSA-N 325.761 5.155 0 1 EKAF C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(Cl)c1O 34513084 MIAHOZITLDYHKB-DLBZAZTESA-N 348.914 6.500 0 1 EKAF Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)s1 34987637 DZGOYVWFZPLZDR-UHFFFAOYSA-N 347.237 5.442 0 1 EKAF CN(c1cc(Oc2cccc3ccccc23)ncn1)C1CCCCC1 82067879 SSULLFIJBRAXCU-UHFFFAOYSA-N 333.435 5.191 0 1 EKAF Clc1ccc([C@H](Nc2ccccn2)c2c[nH]c3ccccc23)cc1 95557819 NRLNNTWJUGEQAU-FQEVSTJZSA-N 333.822 5.418 0 1 EKAF O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1Cl 145093221 RPSRGHSCASYFGD-UHFFFAOYSA-N 349.242 5.425 0 1 EKAF CC(=O)Oc1c(O)c(C)c2c3c1[C@@H](C)CC[C@@H]3[C@@H](C)C[C@H]2C=C(C)C 166777411 IAAMNUWDKZNQQI-WRFANHODSA-N 342.479 5.696 0 1 EKAF CSCNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1 169699915 DOZOGUDSPQXFMJ-UHFFFAOYSA-N 332.831 5.427 0 1 EKAF Cc1cnc2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 587011124 CWLMHPSPCOCHBE-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1C 587012254 HSBJSQPGXJLRGE-UHFFFAOYSA-N 349.459 5.287 0 1 EKAF Cc1ccc(-c2nc(-c3nc4c(C)ccc(C)c4[nH]3)c(C)s2)cc1 587012617 DHJXTVWOZSXDQC-UHFFFAOYSA-N 333.460 5.587 0 1 EKAF Clc1ccccc1-c1nc(-c2nc3ccc4ncccc4c3[nH]2)co1 587060544 IBSNRUOUWBRTSC-UHFFFAOYSA-N 346.777 5.087 0 1 EKAF C[C@H](c1nc2ccc3ncccc3c2[nH]1)c1ccccc1C(F)(F)F 587099203 ZGXAEQCKIGGWGS-NSHDSACASA-N 341.336 5.282 0 1 EKAF CCCCCc1c(-c2cccc(OC)c2)nc2cccc3c2c1CC3 587215001 XRCQDDJUCUYRTG-UHFFFAOYSA-N 331.459 5.742 0 1 EKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587405215 JUBSXOVGTNEZBF-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF C[C@]1(c2ccccc2)CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527861 XBBMKTKHTKYGMX-ZEQRLZLVSA-N 346.470 5.411 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)OC(C)C)c2c1 587642310 RCGOXHOYEQFQKZ-JTQLQIEISA-N 327.346 5.265 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(O)c3[nH]2)c1 587780404 SEDUUKACYWTBGF-UHFFFAOYSA-N 330.387 5.001 0 1 EKAF COc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1 587920453 HUNIDKIVRTWWDW-UHFFFAOYSA-N 325.433 5.111 0 1 EKAF FC(F)(F)c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cn1 587968669 NLYALHXQBWQMIP-HJWRWDBZSA-N 339.320 5.300 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@]1(CCC[C@@H]1c1ccccc1)NCC2 963115957 BJHQENSJUAPKHC-APWZRJJASA-N 332.274 5.302 0 1 EKAF COc1ccc(NC(=O)N2c3ccccc3Oc3ccccc32)cc1 1772605531 LXRJNRCNZCTPDI-UHFFFAOYSA-N 332.359 5.171 0 1 EKAF COc1ccc(CNc2ccc(F)cc2)cc1-c1cccc(Cl)c1 1857612591 GUPNOXNZMQNDNR-UHFFFAOYSA-N 341.813 5.767 0 1 EKAF C=C1OC(=O)C(CCCCCCC=CCC=CCC=CCC)=C1OC 2356689688 UACVRGSPUQDTJA-UHFFFAOYSA-N 344.495 6.157 0 1 EKAF CCCCCC=CCC=CCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1C 2356856695 SCTYQWLAJFDWLI-YPAWHYETSA-N 345.571 6.072 0 1 EKAF Cc1cccn2c(NC3CCCCC3)c(-c3ccccc3Cl)nc12 320012 PMWDLNCFEZIUTO-UHFFFAOYSA-N 339.870 5.708 0 1 EKAF CCC[C@H](C)C[C@@H](C)C[C@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C 1618211 IPVYZLACGWVYRC-YTTNPODESA-N 334.500 5.854 0 1 EKAF COc1cc(Cl)c(Oc2cc(O)cc(Cl)c2OC)c(Cl)c1 14769891 ZDZNYLXGCTUETK-UHFFFAOYSA-N 349.597 5.162 0 1 EKAF biogenic C=C[C@]1(C)O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2C[C@H]1OC(C)=O 15168640 KZMQJOCDCYRIJB-HTCYUXSBSA-N 348.527 5.284 0 1 EKAF biogenic CSc1ccc([C@H]2CN3CCC[C@H]3c3c(Cl)cccc32)cc1 26668190 TXNKGWKKEXRIAI-AEFFLSMTSA-N 329.896 5.344 0 1 EKAF CC(C)c1ccc([C@H](F)[C@@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 27547429 ZMVSDMQINKQYLH-AZUAARDMSA-N 348.845 5.808 0 1 EKAF CN(c1ccccc1)[C@H](c1ccc(O)cc1)c1c[nH]c2ccccc12 71340884 PEHAAVNBCZACDT-JOCHJYFZSA-N 328.415 5.099 0 1 EKAF Cc1ccccc1CNc1cc(Oc2ccc3ccccc3c2)ncn1 82068337 SHNMUBWZXCJFBO-UHFFFAOYSA-N 341.414 5.343 0 1 EKAF CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ncc21 96938361 ALRMJMSWQTWMRV-UHFFFAOYSA-N 349.478 5.006 0 1 EKAF CC(C)(O)CCCCc1ccc(/C=C/[C@]2(C)CC[C@@H](O)CC2)cc1 299808111 MKMRCUYUGCJFBS-NENPJHSTSA-N 330.512 5.125 0 1 EKAF CCc1nc2ccc(C)cc2n1CCCOc1ccc(C)c(Cl)c1 473248450 OGBUJKJSKAWYEM-UHFFFAOYSA-N 342.870 5.338 0 1 EKAF Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879897 UGOVDWKVIDOVMU-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF Fc1cc(Cl)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027724 HVDIPLALHUGOCQ-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF COc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587050141 OUZLECHXYMHAIP-GHMZBOCLSA-N 347.245 5.458 0 1 EKAF C[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587520689 BHPPZPYGJFWDPZ-XMMPIXPASA-N 342.438 5.599 0 1 EKAF CC(C)(C)c1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525310 RRVCXCGMPNYEDV-DEOSSOPVSA-N 348.486 5.744 0 1 EKAF CC(C)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531026 IKYDAIROGRXUQX-LJQANCHMSA-N 340.488 5.532 0 1 EKAF COc1cccc([C@H](C)Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587930087 GRXPIEIMHSLVNB-SNVBAGLBSA-N 335.234 5.225 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc(C(C)(C)C)c2)N1 962942682 GADHYEJCKFTITK-HRAATJIYSA-N 348.490 5.185 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@@H]2C[C@H]2c2cccs2)N1 962945032 IQIRUMKVBMGSQT-SJBXNIEPSA-N 336.504 5.173 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC)c1cccc(Cl)c1F 963228056 KLURVLDEVIPAIN-YCRPNKLZSA-N 345.889 5.789 0 1 EKAF C[C@]1(c2ccccc2)CCCN(CCC23CC4CC(CC(C4)C2)C3)C1 1857764218 QDWXKLQTIUHBSX-HZHDVADBSA-N 337.551 5.647 0 1 EKAF C=CC1=CC[C@@H]2[C@H](C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]23C)[C@H]1C 2356411104 HYHIOWBLMCOLTB-WUDQOWRRSA-N 330.512 5.539 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@H]3C[C@]21C=C3C 2356603280 FDYRTDQCHYCUAP-ITGARAMISA-N 330.512 5.517 0 1 EKAF Cc1cccc(-c2nc(N[C@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)c1 2452336 ZIRNQNBGCPULEO-UWVAXJGDSA-N 345.490 5.842 0 1 EKAF O=C1CCCC[C@@H]1[C@H](Nc1ccc(F)cc1F)c1ccc(F)cc1 66258959 QJCAFBAPMUAMDD-HNAYVOBHSA-N 333.353 5.016 0 1 EKAF O=C(O)CCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1 71333374 MXQUVTBVVBEROT-UHFFFAOYSA-N 344.716 5.168 0 1 EKAF COc1cccc(-c2ccccc2-c2nc3ccccc3o2)c1OC 169350542 GLMOQXTUGYITKD-UHFFFAOYSA-N 331.371 5.179 0 1 EKAF CCC/C=C/C=C/CCCCCCCCc1cc(OC)cc(=O)o1 238739757 AYFKHCDPLUIRAR-BSWSSELBSA-N 332.484 5.834 0 1 EKAF CC(C)c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(O)c(C(C)C)c1 586897165 ZNCSBXXQGGGRJC-UHFFFAOYSA-N 346.833 5.975 0 1 EKAF CCc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)cc1Br 586978258 YOHSRFPOSITOGK-UHFFFAOYSA-N 349.659 5.517 0 1 EKAF Fc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064256 GROAKUYFFSYUQD-UHFFFAOYSA-N 342.757 5.194 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCCCC1)(C(C)(C)C)O2 587403690 PRDKVTMQFQLHAT-OAQYLSRUSA-N 329.484 5.298 0 1 EKAF CCCc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1 587493445 HNIWXGHNFSGPOI-FQEVSTJZSA-N 344.476 5.239 0 1 EKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523415 IOPZGULIMLCOSQ-YOMUGFJLSA-N 326.480 5.362 0 1 EKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2c(C)cc(Cl)cc12 587623669 LMPHSGNFCXKUCL-UHFFFAOYSA-N 348.229 5.627 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NC1CCCCCCC1 587631621 QYZRBWBFUDDLMP-UHFFFAOYSA-N 336.838 5.112 0 1 EKAF Cc1ccc2c(ccc3nc(Cc4cccc(-c5ccccc5)c4)[nH]c32)n1 587962804 ZNYBIKMIGLTVDK-UHFFFAOYSA-N 349.437 5.677 0 1 EKAF Fc1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1F 653739262 MHTUMPPYKXHHJE-UHFFFAOYSA-N 330.337 5.146 0 1 EKAF Cc1cc(N(C)c2ccc3[nH]c4ccccc4c3c2)c2ccccc2n1 1857590132 VWWHVLUDCNDATM-UHFFFAOYSA-N 337.426 5.946 0 1 EKAF CC(C)c1cc([C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)on1 26825960 VORLYPMDEILSSB-IXIUHKBRSA-N 344.886 5.185 0 1 EKAF Cc1cc(CCCOc2c(C)cc(-c3ccccc3C)cc2C)on1 28711022 PZDXEMRCQFINKE-UHFFFAOYSA-N 335.447 5.587 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C[C@@]12CS2 33738885 RAGKRCXTWZPJJM-YUUPMBNKSA-N 332.553 5.330 0 1 EKAF biogenic COc1ccc(Cn2ccc3c(-c4ccco4)cc(Cl)nc32)cc1 72110385 WAHNMRZJGYPUDS-UHFFFAOYSA-N 338.794 5.007 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3O)c2)cc1 82156867 OVHXOXGJIRQJDW-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccccc2)n1 82219567 HAQOCJSEEIRUDH-UHFFFAOYSA-N 338.480 5.042 0 1 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@@]12c1ccccc1 84723560 JBWMLKCKLWGOHC-OAQYLSRUSA-N 327.408 5.005 0 1 EKAF CCCC[n+]1ccn([C@@H](C)c2ccc3oc4ccccc4c3c2)c1C 96915318 OKXIEWDRZDSSND-INIZCTEOSA-N 333.455 5.393 0 1 EKAF CCC(=O)OCc1c(-c2ccc(-c3ccccc3)cc2)csc1N 101743241 KVZXACVSDKVHOY-UHFFFAOYSA-N 337.444 5.118 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 103267904 FMPUWHUXNOPVQS-BQJUDKOJSA-N 341.882 5.071 0 1 EKAF CC[C@H](NC(=O)[C@@]1(CC)[C@@H](C)C1(Cl)Cl)c1ccc(Cl)cc1 169318725 UHFUKYDZWOAKDT-RIEGTJTDSA-N 348.701 5.127 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)C(=O)O 256156633 CQJGVSCAFSXDSB-KSZLIROESA-N 326.521 5.715 0 1 EKAF in-vitro Cc1cccc(-c2ccccc2)c1-c1nc2cccc(C(C)(C)C)c2[nH]1 586878133 CKGRLMGQBSKKQR-UHFFFAOYSA-N 340.470 6.503 0 1 EKAF Cc1c(Br)ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885873 XIVQBNYVSYSICF-JWXAPSBJSA-N 345.284 5.102 0 1 EKAF O=C(c1c(F)ccc(F)c1Cl)c1coc2ccc(Cl)cc12 587277762 APYKTJUTNVBNLB-UHFFFAOYSA-N 327.113 5.249 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccccc12 587527749 WREQSXFJMNAEIL-HXUWFJFHSA-N 331.415 5.062 0 1 EKAF Clc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956596 UDCYFWKBMLSIRA-GOSISDBHSA-N 332.834 5.591 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@@H](C)C(=O)c1ccccc1 963225617 FNNHEZKPYWFZSJ-STSQHVNTSA-N 335.491 5.077 0 1 EKAF CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)o2)cc1 1857614454 UHWMNWLAOSRCDS-UHFFFAOYSA-N 334.463 5.629 0 1 EKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356582719 USBYWNBXXQAKTB-MVAZZOICSA-N 345.571 5.165 0 1 EKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3C)nccc21 13479646 KTEIPADJVSNNQL-CQSZACIVSA-N 341.886 5.984 0 1 EKAF FC(F)(F)c1ccc([C@@H](c2ccc(Cl)cc2)n2ccnc2)cc1 27425090 JFNNJJCONRRYES-INIZCTEOSA-N 336.744 5.193 0 1 EKAF CC[C@H](Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1 29335147 SKXWHUZZZUAUTR-KRWDZBQOSA-N 325.843 5.304 0 1 EKAF COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCC2)cc1 39028645 LJKWKANEVHYMOT-UHFFFAOYSA-N 343.470 5.083 0 1 EKAF C[C@H]1C[C@@H](C)CN(c2ccc(-c3cccc(Cl)c3Cl)cn2)C1 45254844 ACCKQVGBHUBTQL-BETUJISGSA-N 335.278 5.538 0 1 EKAF N=C(N)c1ccc2cc(-c3ccc(Oc4ccc(F)cc4)cc3)[nH]c2c1 45391461 YYNSIEASJNIEFN-UHFFFAOYSA-N 345.377 5.050 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2c(Cl)cccc2Cl)n1 72180196 UZJCCYPOZJKGLC-GFCCVEGCSA-N 341.282 5.707 0 1 EKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@]1(C)C1CCNCC1 103272612 MQYNWGZKOQCBNV-RBZQAINGSA-N 339.567 5.820 0 1 EKAF c1ccc2cc(Nc3nc(-c4cc5ccccc5o4)cs3)ncc2c1 142255373 FOZFJKQMSXFYAL-UHFFFAOYSA-N 343.411 5.848 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCCCC/C=C/C(=O)O 219952501 HUTKGPOSEJZYFJ-LFNFIXQYSA-N 340.548 6.250 0 1 EKAF in-vitro Cc1cc(Cl)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021838 PRPJPXFFSVPFIZ-UHFFFAOYSA-N 339.851 5.239 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)C)CC4)-c1ccccc1C2=O 587102143 YSLJLKKEKXKCFJ-AWEZNQCLSA-N 327.427 5.440 0 1 EKAF Cc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1C 587134774 OKAIBZGIRJFAHX-XQRVVYSFSA-N 338.279 5.046 0 1 EKAF Clc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1Cl 587209254 LTRWUFRIWGLHDN-UHFFFAOYSA-N 328.242 5.425 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](Cc1ccc(C(C)C)cc1)CC2=O 587485277 UJWVBTBUSHPBNS-QGZVFWFLSA-N 338.447 5.045 0 1 EKAF O=C1C[C@@]2(CCCC[C@@H]2c2ccoc2)Oc2c1ccc1c2CCCC1 587531867 IKNRXTCQVXHZMO-DENIHFKCSA-N 336.431 5.220 0 1 EKAF Cc1ccn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587627679 IDUPFDJYFGMAOI-UHFFFAOYSA-N 347.262 5.008 0 1 EKAF Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587628906 BNFBESHIVSZJQQ-UHFFFAOYSA-N 325.717 5.537 0 1 EKAF Fc1ccc2c(-c3ncc[nH]3)c(-c3ccc(Cl)cc3F)[nH]c2c1 587634816 SFOCMYNFSPJCES-UHFFFAOYSA-N 329.737 5.157 0 1 EKAF Cc1ccc(NCCc2nc(-c3cc(F)ccc3F)cs2)cc1 587921776 YNGCYHMOQJRRPI-UHFFFAOYSA-N 330.403 5.051 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3cccc(Cl)c3Cl)n2)c1 587922433 QBNANZBYFXLSAP-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Cl)c(C)c2[nH]1 587935213 QUJVXPHRMCOFBJ-UHFFFAOYSA-N 338.838 5.106 0 1 EKAF Cc1c(Cl)ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949365 TZMUQRPTSOJEMS-UHFFFAOYSA-N 348.833 5.908 0 1 EKAF CCc1ccc(-c2ccc([C@@H]3NCCc4ccc(F)c(C)c43)cc2)cc1 962092166 MSCOYGDUAFSKBV-DEOSSOPVSA-N 345.461 5.599 0 1 EKAF COc1cccc(-c2cn3cccc(-c4ccc(Cl)cc4)c3n2)c1 1911582042 YVAXVLDUZSRTAI-UHFFFAOYSA-N 334.806 5.330 0 1 EKAF CC(C)CCCCCCCCCC=CCCC=CCCCC(=O)O 2356306574 GWUMEFXFQTYSDD-UHFFFAOYSA-N 336.560 7.301 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CCC=C(C)CCC(C(C)C)=CC=C(C)C1 2356444578 ZXMGJANZKKPGCH-JOCHJYFZSA-N 330.512 6.304 0 1 EKAF CC(=CCC[C@]1(C)C=Cc2c(O)cc(C)cc2O1)CC(=O)CC(C)C 2356559050 VUVNQZRURYVICD-JOCHJYFZSA-N 342.479 5.597 0 1 EKAF CC(C)=CCCC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1C 2356590570 ULIWXXZCZLMQBU-UHFFFAOYSA-N 346.467 5.316 0 1 EKAF CC(=CC=C[C@@H](C)CCC[C@H](C)CC(=O)O)CCCc1ccoc1 2356799793 UVZVFURLBKZRAY-MJGOQNOKSA-N 332.484 6.022 0 1 EKAF Cc1ccc(CN(C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc1 40847338 RXHLAALOQHJKHJ-QFIPXVFZSA-N 333.475 5.457 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1 40860592 DZJYISGBNCCXKA-NRFANRHFSA-N 331.440 5.750 0 1 EKAF Fc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1 45336716 UBHBMONOIRNUJF-LJQANCHMSA-N 333.341 5.023 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)s2)cc1 587012607 DAMRDIVKPRKBIR-UHFFFAOYSA-N 337.423 5.418 0 1 EKAF Clc1cc2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2cn1 587085081 NNCCJEREYHAVAY-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccccc3[nH]2)c1 587095404 XNXWRUMOHXHAIL-UHFFFAOYSA-N 330.231 5.268 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C)c2c1 587642768 VONRALBTPOPFEI-LLVKDONJSA-N 349.371 6.815 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c1 587921582 HYZSZVOQGKHUJD-UHFFFAOYSA-N 341.304 5.774 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccc(CC(C)C)cc1 653823858 SVWXRVFXKUERQE-HJPURHCSSA-N 333.475 5.656 0 1 EKAF FC(F)(F)Oc1ccc(-c2nc3ccccc3n3cccc23)cc1 653905126 AMKJCPHYWMMTOF-UHFFFAOYSA-N 328.293 5.053 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963107131 NWTIVEXJXOJXHY-KSFYIVLOSA-N 334.438 5.034 0 1 EKAF Cc1ccc2nc(-c3cccs3)c(N[C@H](C)c3ccccc3)n2c1 1772604213 LSWAAWVXXDMEEL-OAHLLOKOSA-N 333.460 5.544 0 1 EKAF 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URQCVKDZTQACGZ-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2=CCCCC2)N1 587818488 HYJRPHNJFYYRNJ-ABAIWWIYSA-N 338.264 5.054 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)cc(-c3ccccc3Cl)n2)c1 653738883 HJCSVSRVYQWMIS-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCCCn1c(=O)sc2cc(C(=O)C3C(C)(C)C3(C)C)ccc21 1857603392 ZZTIUAYUTMQREZ-UHFFFAOYSA-N 345.508 5.118 0 1 EKAF CC(C)(C)c1ccc(-c2cn([C@@H]3CCCCc4ccccc43)nn2)cc1 1857608714 UUMRWGVATQGLCV-JOCHJYFZSA-N 345.490 5.558 0 1 EKAF CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21 4475247 ZNIBIJIBEXSCNO-UHFFFAOYSA-N 327.427 5.744 0 1 EKAF aggregator Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1 13412619 VAFPWCIGDGFJNB-MFEFFIJZSA-N 349.474 5.435 0 1 EKAF endogenous,in-man S=C1Nc2ccc(-c3ccccc3Cl)cc2C12CCCCC2 13488889 UVVYXIGCIQBUPD-UHFFFAOYSA-N 327.880 5.962 0 1 EKAF CC(C)c1ccc(S[C@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 13604927 BNBRNLQOFINBDV-LJQANCHMSA-N 348.895 5.642 0 1 EKAF CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27746683 UWYQDLYLKSLKNZ-COQIJWMOSA-N 340.507 6.597 0 1 EKAF c1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1 32264619 NLPDSXSMWCTFFQ-UHFFFAOYSA-N 341.498 5.901 0 1 EKAF O=C(c1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64559750 CUONICBVAWIINN-PMACEKPBSA-N 339.866 5.317 0 1 EKAF c1ccc2c(-c3ccc([C@@H](C4CC4)n4ccnc4)cn3)cccc2c1 96282882 HNRDWGMIZLZSQA-JOCHJYFZSA-N 325.415 5.098 0 1 EKAF c1ccc(Nc2[nH]c3ccccc3c3nc(-c4ccccc4)nc2-3)cc1 100655655 YGHGENGJGPQBRJ-UHFFFAOYSA-N 336.398 5.473 0 1 EKAF CCCc1cc(C(=O)OC/C=C(\C)CCC=C(C)C)n(C(C)(C)C)n1 103204920 ZWCGHMUFMOUSSG-GHRIWEEISA-N 346.515 5.440 0 1 EKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2cccc(O)c2)CCC1 104052656 RTTYAUKUOBYVCW-HXUWFJFHSA-N 342.398 5.154 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2)o1 586905627 WUWUXESTLYURSN-UHFFFAOYSA-N 331.419 5.491 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Cl)ccnc2[nH]1 587052160 XDXYGLWMAVJANN-SFYZADRCSA-N 338.625 5.189 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc3ncccc3c2[nH]1 587061159 BPHRAZGVZAUYQP-INIZCTEOSA-N 337.810 5.295 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 587061184 BZYYJJRYPFOAOM-QGZVFWFLSA-N 340.854 5.625 0 1 EKAF Cc1c(F)ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113861 OENCWHCUXCWNDU-JTQLQIEISA-N 336.332 5.375 0 1 EKAF O=C(c1coc2ccc(Cl)cc12)C1(c2ccccc2)CCOCC1 587276489 QVWZRIKEPUBECI-UHFFFAOYSA-N 340.806 5.017 0 1 EKAF CC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356724 RGLCCWZTQNXDOH-WIYYLYMNSA-N 342.410 5.085 0 1 EKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2ccc(F)c(Cl)c12 587629515 AJOZBIPEDGGJEB-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(OC(F)(F)F)cc1 587629912 NJKWUCMXRFPMEV-UHFFFAOYSA-N 343.707 5.834 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCCCC2)N1 587820019 NTWSWOQSIQFYDX-MEDUHNTESA-N 340.280 5.134 0 1 EKAF Fc1cccc(NCc2cscc2CNc2cccc(F)c2)c1 1857599026 ANAFHNVBKAKGSL-UHFFFAOYSA-N 330.403 5.251 0 1 EKAF C[C@@H]1CCC[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857764343 WFCZOYREXFSPGA-ZJUUUORDSA-N 342.386 5.080 0 1 EKAF COCC[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640911 RKRKYGRCYRXULL-ACOOPHAKSA-N 334.500 5.057 0 1 EKAF Cc1c(C)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2oc1=O 36238099 VQKCLHCOFRYADD-UHFFFAOYSA-N 348.320 5.008 0 1 EKAF C[C@H](Nc1cc2c(-c3cccc(Cl)c3)noc2cn1)c1ccccc1 40421662 CQYPOADQLJEUBB-ZDUSSCGKSA-N 349.821 5.716 0 1 EKAF Clc1ccccc1-c1nc2ccc(N3CCCCC3)nc2s1 96911337 IKKRKESLZOCBKG-UHFFFAOYSA-N 329.856 5.002 0 1 EKAF COc1cc2c(cc1[C@@H](C)N[C@H](C)c1ccccc1)C=CC(C)(C)O2 96932065 WUOFAOLDOMTPHF-HZPDHXFCSA-N 337.463 5.291 0 1 EKAF CCCC[C@H](Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167550907 VWKMZKHUIBFVKB-KRWDZBQOSA-N 336.541 6.017 0 1 EKAF CC(C)=C/C=C/[C@]1(C)CCc2c(O)cc(C)c(CC=C(C)C)c2O1 238760949 UANZUGFDTSFCAF-JNKLARPZSA-N 326.480 5.815 0 1 EKAF C(=C/c1ccc2c(ccn2CCCCn2ccnc2)c1)\c1ccccc1 299832446 GNNRQYAVMPWBHZ-CMDGGOBGSA-N 341.458 5.489 0 1 EKAF Fc1cc(Cl)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587024694 AMOGYEQLYXYBMA-UHFFFAOYSA-N 328.799 5.751 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C)cc1C)CC2=O 587488719 LKFVMCKOCTZQDJ-QFIPXVFZSA-N 338.447 5.232 0 1 EKAF O=C1C[C@]2(CCC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587524788 NBDZQKKOUCUNIG-NTKDMRAZSA-N 346.470 5.627 0 1 EKAF Cc1c(Br)cc2nc(CC3CCCCCC3)[nH]c2c1C 587960344 HVWOYNCCQGIWAD-UHFFFAOYSA-N 335.289 5.455 0 1 EKAF CC[C@@H](C)Oc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1Cl 963024506 NPTDRKKFZAGQLS-ZMZPIMSZSA-N 349.927 5.431 0 1 EKAF CCC[C@]1(c2ccc(C)s2)c2ccc(F)cc2C[C@H]2CCCN21 963115783 VZWUUJBDNOQADH-YLJYHZDGSA-N 329.484 5.260 0 1 EKAF Cc1cccc(-c2oc3ccccc3c2-c2ccc3c(c2)OCO3)c1 15934066 PQBUELXPIVEZPZ-UHFFFAOYSA-N 328.367 5.804 0 3 EKAF CC(C)(C)c1ccc([C@@H](CN)c2ccc(Oc3ccccc3)cc2)cc1 4655794 YICVKHRPBJBBAL-HSZRJFAPSA-N 345.486 5.867 0 1 EKAF Clc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cocn1 13490417 VIMYVWMWBFCORZ-UHFFFAOYSA-N 337.766 5.394 0 1 EKAF CC[C@H](C)c1cc(N)c(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1 26382847 HSCFVCLBGYSZSC-LBPRGKRZSA-N 347.842 5.164 0 1 EKAF C[C@]1(CC(F)F)CC=C2[C@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640412 UOSXMUVQMSJAOK-BWFCJQBJSA-N 340.454 5.675 0 1 EKAF CC(C)Cc1cn(-c2ccc(C(=O)O)s2)c2cc(Cl)ccc12 29044852 DJGNVXJNAANEAZ-UHFFFAOYSA-N 333.840 5.242 0 1 EKAF Cc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Cl)cc21 34600096 MOJYOXVTDHXLEN-MRXNPFEDSA-N 344.842 5.072 0 1 EKAF CC(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1 45374098 YIEHRVGXZQPZEO-UHFFFAOYSA-N 337.488 5.385 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\CCCCCCCCC(=O)O 198625465 RILVNGKQIULBOQ-XQYVMNDBSA-N 334.544 7.221 0 1 EKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3cc(F)ccc32)c1 205424081 BPYPRKQYFQZKEJ-UHFFFAOYSA-N 344.455 5.349 0 1 EKAF COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CCc1ccoc1 238745770 FJPYRUGHOSNUPA-NXXWWENFSA-N 330.468 5.164 0 1 EKAF C/C(=C\CCC(C)C)C[C@@H](C)CC/C=C/[C@@H](O)[C@]1(C)CCC(=O)O1 299858990 UXIUCCJUVYYZEH-PGZZTNIMSA-N 336.516 5.188 0 1 EKAF Clc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052271 ZMFZNRUKHNTOII-NXEZZACHSA-N 337.637 5.794 0 1 EKAF CC(C)(C)c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587054561 ONOKRKLXYXJCET-ZHACJKMWSA-N 345.273 6.338 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C3CCCCC3)cc1)O2 587407094 XAZSJPRNATXENC-QHCPKHFHSA-N 349.474 5.506 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](CCC)c1ccccc1)CC2=O 587479426 DIQNPCHALMHMDM-HRAATJIYSA-N 338.447 5.262 0 1 EKAF CCCc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587491259 VHYVKLYBSHZBRE-JOCHJYFZSA-N 338.447 5.178 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(OC(C)C)cc3)n2)cc1 587924885 MKAIVKMMLGSLAX-UHFFFAOYSA-N 341.501 5.986 0 1 EKAF Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(Cl)cc2)c1C 621477585 OKLGIHMVKJFJSG-UHFFFAOYSA-N 330.840 5.061 0 1 EKAF CC1=C[C@@]2(NCCc3cccc(-c4ccccc4)c32)[C@H]2C[C@@H]1C2(C)C 962664376 GHDWQPWMLXINIO-AWRGLXIESA-N 329.487 5.317 0 1 EKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4cccs4)[nH]c23)O1 1857766658 WBFWRNHOHZOIML-UHFFFAOYSA-N 334.444 5.548 0 1 EKAF CCC(C)=CC(=O)OCc1c(C)coc1Cc1cccc(C)c1C 2356464193 AUUABIKYBWIYMZ-UHFFFAOYSA-N 326.436 5.195 0 1 EKAF Cc1ccc2[nH]c3c4c(c(C)cc3c2c1)O[C@]1(C)CC[C@@H]2[C@H]1[C@H]4C2(C)C 2356467510 UAEHAKMCIFYYGZ-VUYBDXIFSA-N 345.486 6.239 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CC=C(C)CCC=C1C)CC[C@@]2(O)C(C)C 2356550782 LCCFAMBWEWEJKL-YUMYIRISSA-N 348.527 5.188 0 1 EKAF CCCCCC=CCCCCCCC=CC=CC(=O)N1CCCCC1 2356679127 HFWMTBWJCPVZTO-UHFFFAOYSA-N 345.571 6.588 0 1 EKAF Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1 13489851 WGBHGWKYUTXFHJ-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF C1=C(c2ccccc2)CCN(C[C@H]2CCC=C(c3ccccc3)C2)C1 13738833 XBGWTWPYCTZIIE-FQEVSTJZSA-N 329.487 5.659 0 1 EKAF CC[C@@]1(CC(=O)O)CC[C@@H](Cc2ccccc2)c2c1[nH]c1ccccc21 26286472 SXRHRXQIIXSYKA-SBUREZEXSA-N 347.458 5.411 0 1 EKAF COc1ccc2[nH]cc(CCCCCCCCCCCCO)c2c1 28638909 IAEMDHJUXPRWMZ-UHFFFAOYSA-N 331.500 5.612 0 1 EKAF COc1c(C/C=C/c2ccccc2)ccc(OCC=C(C)C)c1OC 28712300 SWFRJEWOPBXDMG-DHZHZOJOSA-N 338.447 5.305 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](CNC)C[C@H]21 28769916 AMGLDKXMJVOFFO-OKZBNKHCSA-N 345.527 5.015 0 1 EKAF CCCCCCC1=Cc2ncnc(N)c2[C@@](C)(CCCCCC)C1 29045702 WMCWIKUCGJJFBD-NRFANRHFSA-N 329.532 6.044 0 1 EKAF O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)COc1ccccc1-3 36351221 GUIVZRGAWZFXEJ-UHFFFAOYSA-N 347.414 5.404 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCC(=O)O 38994179 MTWLPOVQRMKOLI-IIFHDYRKSA-N 344.495 5.952 0 1 EKAF in-vitro COC(=O)[C@H](C)/C1=C/C=C(\C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1 39005943 RINNRXYTVAOICT-DIVLMNFASA-N 332.484 5.126 0 1 EKAF COC(=O)CC1=C/C(=C\c2ccc(SC)cc2)c2ccc(F)cc21 84712595 ZHYBDZGJVVTAHT-NTEUORMPSA-N 340.419 5.048 0 1 EKAF Cn1c2cnc1OCCCCCCCCCCCOc1ccccc1-2 103245648 DGYHEGRMGGZWCS-UHFFFAOYSA-N 342.483 5.369 0 1 EKAF CCOc1ccc(C2([C@H](CC(C)C)NCCSCC)CCC2)cc1 219112529 AVTXNQCMEJNGRM-FQEVSTJZSA-N 349.584 5.264 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586903047 GMVFUAMPRQMDEW-UHFFFAOYSA-N 332.190 5.240 0 1 EKAF CSc1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587096812 BSCZMSONGCUCHH-UHFFFAOYSA-N 326.318 5.110 0 1 EKAF C[C@@H](c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587097798 KOXWNRFYOSCWRA-MRVPVSSYSA-N 326.268 5.012 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587100038 YYDVNZMEFYBNCX-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF Fc1cc2c(C3CCCCC3)c(-c3ncccn3)[nH]c2cc1Cl 587632961 SVJBYHJMWSHBLZ-UHFFFAOYSA-N 329.806 5.465 0 1 EKAF Oc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783544 CBHGBQQRJTVWCP-JYRVWZFOSA-N 342.398 5.018 0 1 EKAF Cc1c(F)ccc2c1[C@H]([C@H]1CC3=C(CCCC3(C)C)C[C@@H]1C)NCC2 962096729 ZJPSKTHEOOGNSY-SDYXESRWSA-N 341.514 5.874 0 1 EKAF O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Cl)cc1 13833482 JJKSQUPTJIKTOX-UHFFFAOYSA-N 342.870 5.364 0 1 EKAF c1csc(CCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)c1 27104521 MVZQFWPPZDOLHW-MGPUTAFESA-N 336.504 5.314 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CNC)C[C@H]21 28769942 AMGLDKXMJVOFFO-FGTMMUONSA-N 345.527 5.015 0 1 EKAF Cc1cccc(Nc2nc(-c3ccnc(Br)c3)cs2)c1 45246070 POCPYENSJPQJQY-UHFFFAOYSA-N 346.253 5.020 0 1 EKAF C[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C 64633751 GVFFAMRIFGYUEO-QLODDOFFSA-N 344.627 7.718 0 1 EKAF in-vitro COP(=O)(OC)[C@H](Nc1ccccc1)c1cccc2ccccc12 103300013 VZBAWWITJYNWJU-IBGZPJMESA-N 341.347 5.436 0 1 EKAF Cc1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 144721672 WGVCIBKQEWDYCM-HXUWFJFHSA-N 340.344 5.441 0 1 EKAF CCCC[C@H](C(=O)OCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169321148 YCKOKQJTEKCYLP-INIZCTEOSA-N 348.527 5.824 0 1 EKAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 195520404 DFXPIMWGGIKCJK-HXHBTQRASA-N 344.539 5.993 0 1 EKAF CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O 205459827 CDYJYWKBTLRTHP-UHFFFAOYSA-N 325.795 5.377 0 1 EKAF CCC/C=C/C/C=C/CCCCCCCCCc1ccc(C=O)[nH]1 209607390 NRDUSLDTXLXXNM-AOSYACOCSA-N 329.528 6.793 0 1 EKAF Clc1cc2nc(CSCc3ccsc3)[nH]c2cc1Cl 587024469 ANOZNVNXMLYPHC-UHFFFAOYSA-N 329.277 5.365 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]41)-c1ccccc1C2=O 587100583 LLUHGCXYQLNLJS-DSIZOQBWSA-N 337.422 5.365 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(C)C)CC4)-c1ccccc1C2=O 587101760 VOSBAGMTTNXHMO-OAHLLOKOSA-N 341.454 5.516 0 1 EKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)cc(F)c4[nH]3)C2)c1 587131794 TZOWGLKCFUXSOX-UHFFFAOYSA-N 336.744 5.237 0 1 EKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587409805 WRCOTFARIBABIY-QHCPKHFHSA-N 349.474 5.027 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(Cl)cc1C)CC2=O 587460357 FMBKLEGQYJNTJF-GOSISDBHSA-N 344.838 5.321 0 1 EKAF CCCc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587494295 KUTFSBMMIHOUBP-QGZVFWFLSA-N 330.449 5.065 0 1 EKAF Cc1c(-c2ccccc2OC(F)F)[nH]c2cc(Cl)c(F)cc12 587629497 SKBYSAHJPPSMFL-UHFFFAOYSA-N 325.717 5.537 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCC[C@@H]2CCc1ccccc1 963237912 HIXSGXWTIXCYQJ-XRODADMRSA-N 347.546 5.971 0 1 EKAF c1ccc(Sc2nn3cc(-c4cc5ccccc5o4)nc3s2)cc1 1857535056 OACORCRSMZNCFQ-UHFFFAOYSA-N 349.440 5.355 0 1 EKAF CC(=O)[C@]1(C)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732083 WIWIXNXBHJVZNI-BZARAMFOSA-N 344.539 5.151 0 1 EKAF Cc1nn(-c2ccccc2)c(N)c1[C@@H](c1ccccc1)c1cccs1 6737704 PMQPRSGMIDWWQH-FQEVSTJZSA-N 345.471 5.005 0 1 EKAF C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(C)cc1 13218773 PBTQFUDXZOZFSD-UHFFFAOYSA-N 349.437 5.791 0 1 EKAF CC(C)C1=C2CCC(COC(=O)c3ccc(O)cc3)=CC[C@]2(C)CC1 13432018 OKXGQALERULNCC-JOCHJYFZSA-N 340.463 5.412 0 1 EKAF biogenic CC[C@@H](C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 13493468 DDXKWKGIBLVYQU-GOSISDBHSA-N 340.898 5.190 0 1 EKAF C/C=C/CN1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26400859 YAOLKTOZWDQIEN-NSCUHMNNSA-N 334.246 5.724 0 1 EKAF Clc1cc2nc(Cl)n(CCc3ccccc3)c2cc1Cl 28251192 NDNUYOSQRCFIBH-UHFFFAOYSA-N 325.626 5.239 0 1 EKAF Cc1ccc(-c2cc(-c3cccs3)nc(-c3sccc3C)c2)o1 45368653 PTVPDUMPTWKIDI-UHFFFAOYSA-N 337.469 6.415 0 1 EKAF Fc1ccccc1[C@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 72186495 RWSXQDGYJOCILV-GOSISDBHSA-N 331.312 5.420 0 1 EKAF CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 95587113 MUULMHBYAYLSKI-BWAGFHJFSA-N 343.511 5.108 0 1 EKAF CC[C@H](CSc1cccc(Cl)c1)OC(=O)NCc1ccccc1 103188800 QVFURRGCPYQAHP-MRXNPFEDSA-N 349.883 5.137 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNc1cccc(C(=O)O)c1 103299728 LRVCCKDLDMUJBL-VBYAGUOWSA-N 341.495 6.216 0 1 EKAF C[C@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCCC3 147121981 PPHTUZSVUNCAJF-GFCCVEGCSA-N 345.273 5.831 0 1 EKAF C[C@@H]1C[C@H](C(F)(F)F)c2c([nH]c3cc(Cl)c(Cl)cc23)[C@@H]1O 205256497 GBUNMTKFVRTLSV-KIXYHFEESA-N 338.156 5.194 0 1 EKAF COC(=O)CCCCCCCC[C@@H](CCCCCCCCO)OC 238755201 IYJHTEZJRCLLBP-IBGZPJMESA-N 344.536 5.018 0 1 EKAF CCCOc1cc2nc([C@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586892809 WTYKBOGIUXGSDY-QLJPJBMISA-N 337.261 5.018 0 1 EKAF O=C1c2ccccc2-c2c(C3CCCCCC3)cnc3ccc(O)c1c23 586991945 RUGCZTAOHNONAZ-UHFFFAOYSA-N 343.426 5.590 0 1 EKAF Cc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1C 587066458 ODXJFXBJFXLTAO-UHFFFAOYSA-N 328.843 5.153 0 1 EKAF CCCCCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587405508 LSOJUISAFDCMCV-QFIPXVFZSA-N 337.463 5.191 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(F)c(C)c3[nH]2)cc1 587564045 FZHJBVXOLRJNIF-UHFFFAOYSA-N 326.415 5.277 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncn3)c2c1 587640506 FBZFBIONFNHGMA-CQSZACIVSA-N 345.421 5.945 0 1 EKAF CCCCn1c(-n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc21 587876150 ZVYUQTARUHYOOD-UHFFFAOYSA-N 348.381 4.934 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1F 587922191 LOJBJNPNGAPLLR-UHFFFAOYSA-N 343.398 5.544 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(C)(C)c1cc(OC)ccc12 963226973 IYHMMGAFRPRWGZ-MZNJEOGPSA-N 349.518 5.277 0 1 EKAF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@@H]2O1)CC 2356386552 MRLHJEHWGDONOP-HVJHZFLKSA-N 348.527 5.739 0 1 EKAF CC(C)c1cc2c(cc1Cl)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 13302821 LRHCLIUTYPHWLV-YZGWKJHDSA-N 334.887 5.558 0 1 EKAF biogenic CC1(C)[C@H](c2ccccc2)[C@@]12CC[C@]1(C2=O)[C@@H](c2ccccc2)C1(C)C 17196069 KXLWBFPVIVAVFT-LDTXMFMOSA-N 344.498 5.969 0 1 EKAF Cn1cc(/C=C2/c3ccccc3C(=O)c3ccsc32)c2ccccc21 35080122 LYAXDLUJMLSTJT-UNOMPAQXSA-N 341.435 5.373 0 1 EKAF CSc1nc2c(Nc3ccccc3)c3cc(F)ccc3nc2s1 40394448 RQHZRIJWWPXHKS-UHFFFAOYSA-N 341.436 5.449 0 1 EKAF Clc1cccc(C2=NO[C@@H](c3ccc(Cl)c(Cl)c3)O2)c1 40952302 QZAJFOSCCSZFJX-AWEZNQCLSA-N 328.582 5.054 0 1 EKAF CC[C@H]1[C@H](C(C)C)c2cc(C(=O)CCC(=O)O)c(C)cc2C1(C)C 87528686 ZNQKOOLQBLAKFY-OXJNMPFZSA-N 330.468 5.100 0 1 EKAF in-vitro Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3ccc(F)cc32)c1 205424200 RFFQQJSTXWLVHU-UHFFFAOYSA-N 344.455 5.349 0 1 EKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1n3c(cc4ccccc43)C[C@]12C 238731307 LXDQTTNJDBZTFG-UZCBEENBSA-N 337.507 5.342 0 1 EKAF C1=C2CC[C@H](Sc3ccccc3)[C@H]2C2(CCCCC1)OCCO2 254143428 IFZRGLLWHBHOTE-OALUTQOASA-N 330.493 5.191 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(F)c2)[C@H](c2ccc(O)cc2)C1 299833739 WGGHGNNQHQYAOE-KRWDZBQOSA-N 330.378 5.024 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc1 586879103 DTYNBHRVJKUZHC-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccccc4[nH]3)c2)c1 587070148 FKFMNNKUIHSIMH-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF Cc1cc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108916 IZPBXYUZMOZKHB-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF Cc1cc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c(C)n1 587145858 SXUHFEGDRDLYQH-UHFFFAOYSA-N 335.357 5.187 0 1 EKAF Nc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc2c1 587251315 CHLJNZORJDTEKY-UHFFFAOYSA-N 345.299 5.123 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccccc3c1)CC2=O 587481401 LPWVMQHIFWCGEA-OAQYLSRUSA-N 332.399 5.204 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(C)C 587512044 KGDCUOVBVJUQFB-NRFANRHFSA-N 337.463 5.271 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(C)(C)C)N1 587810408 CMPVLDYYPNJRMP-APPDUMDISA-N 342.296 5.164 0 1 EKAF CC(C)C(C(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817668 DKRVEKIUIJJFNN-GTNSWQLSSA-N 342.296 5.092 0 1 EKAF CCC[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C 587954741 BWHREDIKQCDUGI-OAHLLOKOSA-N 349.503 6.379 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(F)c2[nH]1 587957830 WQZGTZFCYKDTNF-UHFFFAOYSA-N 348.462 5.620 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C1 587969646 SKMPUKNJAIUYHI-NXEZZACHSA-N 344.808 6.165 0 1 EKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](CCC(=O)O)C(=O)CC[C@@H]12 621430874 DFTCDNAUEJSOJZ-MOVVGCITSA-N 334.500 5.079 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)cc(-c2ccccc2Cl)n1 653735649 DZUPKEZHPVWVNH-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Cc1ccc([C@@H](C)NCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 1857643718 DICVVCHTJXVHLT-UTKZUKDTSA-N 337.438 5.600 0 1 EKAF COc1ccc(OC)c(C[C@@]2(C)C3=C(CC[C@@H]2C)C(C)(C)CCC3)c1 2356815890 CWMPTLQOEZBEEN-QMHKHESXSA-N 342.523 6.189 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C 13553598 SMUIQYTUDBOXGW-RTBURBONSA-N 334.459 5.594 0 1 EKAF C[C@H](Cc1ccccc1)NCCC1c2ccccc2-c2ccccc21 45374187 JGFDMCMMJWZZRO-GOSISDBHSA-N 327.471 5.410 0 1 EKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cnccc21 72119838 FAZGGKLCXUKDNL-UHFFFAOYSA-N 342.442 5.611 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 72135097 XOTZRPRCGXHFHS-ZWKOTPCHSA-N 338.838 5.506 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@@H]1[C@@H]3[C@H]4CC[C@@H]4[C@H]3[C@@H]21 102184829 LXZYGXNGSMYQAG-KIIROVPQSA-N 330.512 5.366 0 1 EKAF Cc1ccc2c(c1)[C@H](c1ccccc1)c1c(c3ccccc3oc1=O)N2 205088274 RFXGRJSLGWDBTO-FQEVSTJZSA-N 339.394 5.339 0 1 EKAF Cc1coc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992282 UIDLQNGXNVXIOI-UHFFFAOYSA-N 341.366 5.029 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cncc(Cl)c2[nH]1 587049133 LJEVGFXXJYCFJX-YUMQZZPRSA-N 338.625 5.189 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587124701 LESWSDHJKIAGRL-YVMONPNESA-N 348.393 5.962 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587146301 HXXMMDNQGQNCEG-PLNGDYQASA-N 349.178 5.082 0 1 EKAF C[C@@H]1c2nc3cccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O 587207892 OJACMPTXLAKRQF-VBKZILBWSA-N 347.417 5.695 0 1 EKAF CC1=CC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587208013 PQKSXWRJYYVIPB-OAHLLOKOSA-N 325.411 5.660 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)cc1F)O2 587384226 BWTANOFWAZWXTE-OAQYLSRUSA-N 347.389 5.090 0 1 EKAF CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587517002 ZATQQXUDLJPUIQ-JOCHJYFZSA-N 345.442 5.247 0 1 EKAF Cc1[nH]c2cc(F)ccc2c1[C@H]1CCCCCN1C(=O)OC(C)(C)C 587636793 IWLWGLRATVKQBV-QGZVFWFLSA-N 346.446 5.468 0 1 EKAF CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2cc(F)ccc12 587636929 PXEQCZPSLCGSQP-INIZCTEOSA-N 344.430 5.256 0 1 EKAF CCCCC/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821235 UABBBZKPRZUKEH-HTJSDIMNSA-N 340.280 5.300 0 1 EKAF Fc1cc(F)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587956998 XVUXXJBUBKVFJE-KRWDZBQOSA-N 334.369 5.216 0 1 EKAF Brc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587964944 JZRXLNSWTNGDAR-UHFFFAOYSA-N 343.268 5.165 0 1 EKAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963100697 IXSSDMOOVCPBGS-AKPQGNLFSA-N 339.498 5.134 0 1 EKAF CCC=C(C)[C@@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 2356581615 COQVDOXGJFWFLT-XMSQKQJNSA-N 342.479 5.402 0 1 EKAF COc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1 4258441 KMACGYJVKXHEGA-UHFFFAOYSA-N 327.387 5.049 0 1 EKAF Cc1cc2c3ccc(O)cc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@@H]2C1)C3(C)C 13412607 YDUWCKHQORLZSO-MFEFFIJZSA-N 347.458 5.592 0 1 EKAF COc1cc2c(cc1O)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)C1=C2 14683850 BUIFJDSTUGQXPL-YUXAGFNASA-N 342.479 5.562 0 1 EKAF biogenic CC(C)(C)c1ccc(CN2CC[C@H]3c4ccccc4CC[C@H]3C2)cc1 26147669 DXWOYQQCOACBBA-NZQKXSOJSA-N 333.519 5.536 0 1 EKAF c1ccc(CCNCCCCC(c2ccccc2)c2ccccc2)cc1 26279241 VSWJUIPHDXEVBU-UHFFFAOYSA-N 343.514 5.821 0 1 EKAF Cc1cc(CCCCCOc2c(C)cc(-c3ccco3)cc2C)on1 28759753 WEYYFURNQSORFT-UHFFFAOYSA-N 339.435 5.652 0 1 EKAF CC/C=C\c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 31861332 ANAMDWGJXBYJEB-OPWFCKQNSA-N 326.480 5.032 0 1 EKAF in-vivo Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c1 40425108 VAYLOCIGNHAADJ-NRFANRHFSA-N 349.430 5.889 0 1 EKAF C[C@@H](c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587099048 WHJNYOAJRHLSME-MRVPVSSYSA-N 326.268 5.012 0 1 EKAF Cc1nc(-c2ccc(O)cc2)sc1-c1cc2c3c(cccc3n1)CC2 587360700 PDLIVHFZPOJERS-UHFFFAOYSA-N 344.439 5.138 0 1 EKAF CC(C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522494 IEWHKNVAFMVMOR-QHCPKHFHSA-N 334.459 5.168 0 1 EKAF Cc1cc(Cl)cc2c([C@@H](C)C(=O)O)c(-c3ccccc3F)[nH]c12 587624556 LRMQSEKWUXKFAL-SNVBAGLBSA-N 331.774 5.124 0 1 EKAF Fc1ccc2c(C(F)(F)F)c(-c3c[nH]c4ccc(F)cc34)[nH]c2c1 587633809 LKAUCMBUFVUBOE-UHFFFAOYSA-N 336.263 5.613 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc3nc(C)ccc3c2[nH]1 587951886 JJYTYFBOAQOSJA-MUKKUYKPSA-N 337.467 5.466 0 1 EKAF CCCC[C@]1(C2CCCC2)NCCc2cccc(-c3ccccc3)c21 962669020 ZQGKFGYPTBHRCI-XMMPIXPASA-N 333.519 6.075 0 1 EKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3)cc(-c3ccccc3)nc1-2 1857573305 NZJWGPDCYFZAFX-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF C[C@H](O)CCC/C=C\CCCCCCCCCCCCC(=O)O 1857582347 XITZVGGJPNZQPV-JQYPEGPJSA-N 326.521 5.860 0 1 EKAF C[C@]1([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CS1 2356751302 QOPVNDPJLOUFPN-SDJHNBRXSA-N 346.580 5.432 0 1 EKAF CCSC(=O)SCCOc1ccc(Oc2ccccc2)cc1 29335682 CWARFXUVQBNNEZ-UHFFFAOYSA-N 334.462 5.464 0 1 EKAF Cn1c(-c2ccccc2)c(C2CCC(C(=O)O)CC2)c2ccccc21 29393819 CNBKUBDEOZPPGJ-UHFFFAOYSA-N 333.431 5.204 0 1 EKAF CCc1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107827 OIVMKFNBMAPQDR-QHCPKHFHSA-N 337.507 5.578 0 1 EKAF C/C(=C/CC[C@]1(C)C=Cc2cc(O)c(C)cc2O1)Cc1cc(C)co1 138724444 VSUOGDPUZWQBKJ-XZWFTTQYSA-N 338.447 5.736 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)ccc(C)c2[nH]1 587066446 NTPNBJZDQUPVKS-UHFFFAOYSA-N 335.838 5.599 0 1 EKAF Cc1c(Cl)ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070674 TWBYAYIIYBZTKZ-SNVBAGLBSA-N 347.245 5.555 0 1 EKAF FC(F)(F)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088237 UPUNZHFCXJHGNK-UHFFFAOYSA-N 335.716 5.383 0 1 EKAF Cc1ccc2c3c(cc(-c4sccc4N)nc13)-c1ccccc1C2=O 587101414 GEWHSJCPOHTFOZ-UHFFFAOYSA-N 342.423 5.065 0 1 EKAF COc1cccc2c1Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587106507 ILZMGWANUNFPBH-UHFFFAOYSA-N 349.389 5.026 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)cc(CC)c1)CC2=O 587483678 RIYWAXDIDAAHBA-OAQYLSRUSA-N 338.447 5.176 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C3CCC3)c(NC(=O)OC(C)(C)C)c2c1 587640584 BGULBWQCZICQHG-ZDUSSCGKSA-N 342.483 6.296 0 1 EKAF CC(C)(C)Oc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 587923232 WTPIPMNUDBHHJO-UHFFFAOYSA-N 327.424 5.794 0 1 EKAF C[C@@]12C=C(C=Cc3ccccc3)[C@@](C)(C1)[C@H](c1ccccc1)CC2=O 1857623089 LGLMIMABSGWABG-QPTUXGOLSA-N 328.455 5.799 0 1 EKAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)CCC[C@@]21C 2356733638 LMNZSAWWQSPBNF-KNQAVFIVSA-N 328.496 5.515 0 1 EKAF C[C@@H](c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12 195993613 JMUFJMOUMAFQOE-NSHDSACASA-N 339.236 5.564 0 3 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 13302974 SNKPCSRNBVWIIG-FDFHNCONSA-N 328.496 5.383 0 1 EKAF biogenic CN1c2ccccc2[C@H]2C=C(/C=C/c3ccc4ccccc4c3)C=C[C@H]21 28114790 ASCIXCTXNMXQCC-FGNPPGQTSA-N 335.450 5.951 0 1 EKAF CCC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 34432543 DLNYBTQCUMZHIJ-BXVPAPGVSA-N 332.528 5.129 0 1 EKAF COc1cc(Cc2cccc3c2oc2cc(OC)ccc23)cc(OC)c1 95597889 FTMKFSWUCIFSGJ-UHFFFAOYSA-N 348.398 5.203 0 1 EKAF Oc1c2c(nn1-c1ccc(Cl)cc1Cl)-c1ccccc1SC2 100987177 PINMFIPGUSUDNA-UHFFFAOYSA-N 349.242 5.157 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C=C(Cl)CC4)-c1ccccc1C2=O 586994270 XAGJOIJUIKGSFT-UHFFFAOYSA-N 331.802 5.281 0 1 EKAF CC1=Cc2nc3c(C)ccc4c3c(c2[C@H](C)C1)-c1ccccc1C4=O 587100486 LFCUZCPUTOQFQQ-CQSZACIVSA-N 325.411 5.665 0 1 EKAF Cc1nc2cccc3c2c(c1Cc1ccc(Cl)c(Cl)c1)CC3 587209761 WOBUSTPWGDVPHT-UHFFFAOYSA-N 328.242 5.539 0 1 EKAF Cc1c(Cc2cnc3cccc4c3c2CC4)cccc1C(F)(F)F 587210120 FUJKIQOQSZFKHH-UHFFFAOYSA-N 327.349 5.251 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccc(Cl)c(Cl)c3)c2c1 587641131 KIMGRKWXVAVGAM-GFCCVEGCSA-N 346.301 6.887 0 1 EKAF CCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814243 SHGVBQYBBZFYFO-PIGZYNQJSA-N 342.296 5.164 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1C1CCCCC1 963241850 NXTPYNVKHXSTHP-UQBPGWFLSA-N 347.546 6.480 0 1 EKAF Cc1ccc(Cn2cc(CNc3cccnc3)c3ccccc32)cc1 1772622562 JHWRXFUAOPKDSD-UHFFFAOYSA-N 327.431 5.005 0 1 EKAF Cc1nc2ccccc2c(-c2ccccc2)c1[C@H](OC(C)(C)C)C(=O)O 1857650293 MURWOQVPRQKMLZ-FQEVSTJZSA-N 349.430 5.151 0 1 EKAF Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1 61923583 VNPJWGLJOKXGHV-UHFFFAOYSA-N 348.449 6.054 0 3 EKAF C[C@H](c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12 195993620 JMUFJMOUMAFQOE-LLVKDONJSA-N 339.236 5.564 0 3 EKAF CC(C)N1[C@H](C)[C@@H](c2ccccc2)O[P@@]1(=O)CC1=CCCCC1 6441912 WVSPGKLSTNAFMP-ICPLQIHGSA-N 333.412 5.550 0 1 EKAF Cc1ccnc(Nc2nc(-c3cc(Cl)c(Cl)s3)cs2)c1 13141364 REYLCGMDSFHZIS-UHFFFAOYSA-N 342.276 5.625 0 1 EKAF Cc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1 13531322 LUZARSGELRSGPD-UHFFFAOYSA-N 335.834 5.931 0 1 EKAF Oc1cc(-c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1Cl 29061114 LFNMTUYVBXAAKI-UHFFFAOYSA-N 349.188 6.297 0 1 EKAF in-vivo Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccc(C2CCCCC2)cc1 29128573 BBSVJIVWNXFJLL-UHFFFAOYSA-N 338.495 5.705 0 1 EKAF Cc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40862237 RZZQWNYDNUYYFB-IBGZPJMESA-N 326.827 5.055 0 1 EKAF CCCCNc1ccc(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64549934 IHDOHPDFXOSESA-RTBURBONSA-N 327.855 5.538 0 1 EKAF Clc1cc(Cl)cc(-c2nc3ccccn3c2-c2ccccc2)c1 95572963 KLQRTUVTMPDMMX-UHFFFAOYSA-N 339.225 5.975 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Br)cc1 103174451 FVVDVWBVLRKPMN-UHOFOFEASA-N 339.273 5.067 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)CC1 586881834 WEKVCIYZKFSATC-WKILWMFISA-N 348.494 5.501 0 1 EKAF Cc1cc(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883328 IUQYWZLNJQUFKF-LFPKGMGHSA-N 345.284 5.102 0 1 EKAF Fc1cnc(Cl)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 587056186 ZSUWIRAFNIYPHG-PLNGDYQASA-N 342.588 5.228 0 1 EKAF Cc1ccccc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587207411 SRTROLZTADRMCI-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C(C)C)c1C)CC2=O 587469400 DNZBKNKBNRVAJV-HXUWFJFHSA-N 341.451 5.050 0 1 EKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](c1ccccc1)C(C)C)CC2=O 587487977 HIULOVIIUCMKDN-LEWJYISDSA-N 338.447 5.118 0 1 EKAF Cc1ccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587532649 MMDGGJGUVUUSJS-QHCPKHFHSA-N 346.426 5.501 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(OC(C)=O)c2c1 587642041 LSKCXFQHIRIGIE-LBPRGKRZSA-N 325.383 5.413 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C=C2CCCCC2)N1 587820954 RPNODTPVMMKGBC-DIFFPNOSSA-N 338.264 5.054 0 1 EKAF Cc1cccc([C@@]2(C(C)(C)C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963108409 OWEHEKPEDUOBIO-CVDCTZTESA-N 337.482 5.444 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccsc2)o1 963228602 MBYZFMIUHDFCIJ-QVKFZJNVSA-N 337.488 5.754 0 1 EKAF COCc1cccc(-c2cc(-c3cccc4ccccc34)cnc2N)c1 1857576544 OWBOLHMKFMLBGP-UHFFFAOYSA-N 340.426 5.297 0 1 EKAF Cc1c2c(c3[nH]c4ccccc4c3c1O)[C@H]1C[C@@](C)(CC[C@H]1C(C)C)O2 2356428897 BKSCKIKXMAQCCO-LZDHAAFVSA-N 349.474 6.026 0 1 EKAF CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O 2356457532 SUXGLLRPXXXJER-UHFFFAOYSA-N 342.479 5.834 0 1 EKAF CO[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@@H]1Cc2ccccc2O1 2356679558 XMEKRGPWDVRQKA-FCHUYYIVSA-N 340.463 5.266 0 1 EKAF CC[C@H]([C@H]1[C@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1)N(C)C 2356842818 MYOLZZIZNJOFGG-XUTCULJVSA-N 349.518 5.119 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13741556 ANAMDWGJXBYJEB-GKFBDWMJSA-N 326.480 5.032 0 1 EKAF in-vivo C=C[C@]1(C)O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2C[C@H]1OC(C)=O 15168644 KZMQJOCDCYRIJB-DHNHVGITSA-N 348.527 5.284 0 1 EKAF biogenic CN(CCc1ccccc1)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26827045 FVMDCJNCPHANNG-NOZRDPDXSA-N 341.498 5.308 0 1 EKAF CCCN(CCC)[C@H]1CCc2cc(CCc3ccccc3)ccc2C1 27331126 HCNYNWZHRZQZAX-DEOSSOPVSA-N 335.535 5.451 0 1 EKAF CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\[C@@]12C[C@]1(C)CCCC2(C)C 28229955 ZQAZXAXJQNKOAF-WKZYOWJDSA-N 342.523 6.161 0 1 EKAF CC[C@H](C)CCC[C@](C)(CCCC(C)C)[C@@H]1C=C(C)CC[C@@H]1C(C)C 102191738 BSFSYBSOZFHRHQ-QVQNZMNRSA-N 348.659 8.664 0 1 EKAF Cn1s/c(=N/c2ccccc2-c2ccccc2)nc1-c1ccccc1 103167974 PFRHGPYAEYFAGB-QURGRASLSA-N 343.455 5.048 0 1 EKAF CC[C@H]1C[C@@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 103178581 RMJYIGSZMFOADY-RNODOKPDSA-N 342.870 5.552 0 1 EKAF O=C(c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1 169312340 WLISVQVHHMNDLA-UHFFFAOYSA-N 345.348 5.411 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(C)c(C)c4[nH]3)c(C)s2)cc1 587013407 VGQLLJQCXUPUHW-UHFFFAOYSA-N 333.460 5.587 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCN4)nc3cccc1c23 587106074 HXUZTCIBNAAKRO-UHFFFAOYSA-N 348.405 5.081 0 1 EKAF Cc1ccc(NC2(c3nc4c(C)cnc(Cl)c4[nH]3)CCCC2)cc1 587237234 NEDHBWPKODXFLL-UHFFFAOYSA-N 340.858 5.110 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccccc3C)c1)O2 587406167 QFMALHQIUBDOFP-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF O=C1C[C@H](c2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587504874 OBMDELIXNBMBTC-GOSISDBHSA-N 330.786 5.064 0 1 EKAF CC1(C)[C@@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527807 WRPOYPYDRQDEOI-HYBUGGRVSA-N 346.470 5.483 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587627072 MZTHDYKEPWPOKO-OAHLLOKOSA-N 348.874 5.510 0 1 EKAF Fc1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c2c1Cl 587630135 UTBPKULDBGAZJD-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF CCCC/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587966928 ZFFWYQLFLHTUAA-WAYWQWQTSA-N 347.178 5.548 0 1 EKAF CCCCC(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 1857768871 BPJNJTWIYWGIJH-RVDMUPIBSA-N 346.467 5.412 0 1 EKAF CCCC[C@H]1Cc2cc(O)ccc2-c2c(C(C)=O)c3ccc(O)cc3n21 13606432 PQCZRPVHMYQDDP-HNNXBMFYSA-N 349.430 5.210 0 1 EKAF O=C1O/C(=C\c2cccc3ccccc23)C(O)=C1c1ccc(Cl)cc1 28565517 PLGHLEBIWUQEPR-PDGQHHTCSA-N 348.785 5.360 0 1 EKAF in-vivo Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@](C)(CCC(C)(C)O)C=C4 33832395 SLEYKBUTYBQPSN-JOCHJYFZSA-N 335.447 5.345 0 1 EKAF biogenic CC(C)=Cc1cc(CCC/C(C)=C/Cc2c(O)cc(C)cc2O)co1 35302142 LFHUMFIPBHTBDU-LZYBPNLTSA-N 340.463 5.934 0 1 EKAF Cc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c(F)c1 72109052 NFWPGISCHCCXFX-JOCHJYFZSA-N 341.470 5.463 0 1 EKAF Fc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103278985 LZWZMQSVXCQLBD-UHFFFAOYSA-N 339.222 6.000 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1 586899169 XLRYTZHBGAGQJE-UHFFFAOYSA-N 336.394 5.756 0 1 EKAF Clc1ccc(CN2CCC[C@@H]2c2nc3cccc(Cl)c3[nH]2)cc1 587073775 MOPRTXHWWPPCLH-MRXNPFEDSA-N 346.261 5.207 0 1 EKAF Fc1c(Cl)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1F 587106627 KCZLTNFQWCRYNH-UHFFFAOYSA-N 346.686 5.104 0 1 EKAF CC[C@H]1C[C@@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206702 GVVVWZQFWXHCRL-KGLIPLIRSA-N 327.427 5.522 0 1 EKAF Cc1c(-c2ccc(F)c(Br)c2)nc2cccc3c2c1CC3 587210667 VFNZJYYHZBWGJM-UHFFFAOYSA-N 342.211 5.210 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](F)CCC3)c1 587359516 FEVPQQZZIUGXMG-KRWDZBQOSA-N 347.389 6.004 0 1 EKAF CCCCC(Cl)(Cl)[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587459214 NFHDMZLRTZHJEA-OAHLLOKOSA-N 345.266 5.043 0 1 EKAF O=C1C[C@H](c2cccc3ccsc23)Oc2c1ccc1c2CCCC1 587536330 UPXQDUJNLUZLMH-LJQANCHMSA-N 334.440 5.487 0 1 EKAF CCCCC=CCC=CCC=CCC=CCC=CCCCC(=O)O 2356629475 GJUNKDKCJGOYBV-UHFFFAOYSA-N 330.512 6.773 0 1 EKAF COc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3[nH]2)c1 74387098 STFQNZKGRGJODG-UHFFFAOYSA-N 333.366 5.121 0 3 EKAF COc1ccc(Cc2c(C3CCCCC3)nc3ccc(C)cn23)c(C)c1 199372370 GBCZUAVRGNQLHI-UHFFFAOYSA-N 348.490 5.598 0 3 EKAF CC(C)(C)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 3937402 CSAQSFXVIYEXSS-UHFFFAOYSA-N 341.458 5.396 0 1 EKAF CC[C@@H](c1ccc(O)c(Cl)c1)[C@@H](CC)c1ccc(O)c(Cl)c1 40466660 CBJDAPHLKCZCIS-KBPBESRZSA-N 339.262 6.092 0 1 EKAF N[C@@H](CCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 45336730 XYICJGKJKYWIMJ-HNNXBMFYSA-N 349.088 5.933 0 1 EKAF CC(C)(C)c1ccc(SC[C@H](c2ccncc2)c2c[nH]cn2)cc1 64573956 YQIPYEQUGQGKAM-GOSISDBHSA-N 337.492 5.026 0 1 EKAF c1ccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)cc1 72176080 OYLFYRXSRDPZEL-UHFFFAOYSA-N 341.435 6.037 0 1 EKAF Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4ccccc4F)c3)nc12 587152875 FMNGNYKUBWJCAH-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587207595 NWHFKZRJRKTQEN-UHFFFAOYSA-N 347.417 5.520 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404027 TVVNSICCNKEVBQ-VGSWGCGISA-N 341.495 5.464 0 1 EKAF O=C(c1cccs1)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629424 PLFSAPZOCRPRAF-UHFFFAOYSA-N 329.730 5.191 0 1 EKAF Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1 587631813 VQOWCDLZTWBQSR-UHFFFAOYSA-N 336.797 5.877 0 1 EKAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634238 VQYIXCQBRQREHL-UHFFFAOYSA-N 341.691 5.210 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccncn3)c2c1 587643294 CVIUHIBJOIGRTN-HNNXBMFYSA-N 327.431 5.805 0 1 EKAF COc1ccc(C[C@H](C)c2nc3cc4ccccc4cc3[nH]2)cc1OC 587926589 MJDZBJQMUDNYAC-AWEZNQCLSA-N 346.430 5.080 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587959036 BNVCODRBUDAPDQ-AAEUAGOBSA-N 334.316 5.067 0 1 EKAF CC/C(=C/c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(C)cc1 587968958 XFHJQDDSHYEHFO-WQLSENKSSA-N 342.345 5.143 0 1 EKAF CCCc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1 963123304 PRNCERJVQKLFMF-IBGZPJMESA-N 334.290 5.355 0 1 EKAF CC1=C2CC[C@H]3[C@H]4[C@H](C(C)C)CC[C@@]4(C)CC[C@]3(C)[C@@]2(C)CCC1 2356468636 KPVIZULLSJKVNJ-KGVVAMRASA-N 328.584 7.392 0 1 EKAF CC(=O)OCC=C(C)CCC[C@H](C)CC[C@H]1[C@@H](C)CCCC1(C)C 2356471355 UMBAAYHFKZFIKK-CUWPLCDZSA-N 336.560 6.545 0 1 EKAF CCC=CCC=CCC=CCCC=C(Cl)OC=CCCC(=O)O 2356595923 XRPUZVSLHOLHTQ-UHFFFAOYSA-N 338.875 6.101 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CCCCC=CC(=O)O 2356864853 WAPCLRDXPFZYSU-UHFFFAOYSA-N 328.496 6.549 0 1 EKAF c1ccc(Oc2ccc(Nc3ncc(-c4ccccc4)o3)cc2)cc1 13611274 MKASXHWBPFPYNF-UHFFFAOYSA-N 328.371 5.878 0 1 EKAF COc1ccc2c(c1)CCC[C@H]2CCCCN1CCC(C)(C)CC1 13678051 PKXQOVGMMYOSBL-GOSISDBHSA-N 329.528 5.407 0 1 EKAF CCCC(=O)Nc1n[nH]c2c(Cl)c(Cl)c(-c3ccccc3)cc12 49114334 SLONILUOQINQQN-UHFFFAOYSA-N 348.233 5.275 0 1 EKAF CCCCCc1ccc(-c2nc(CN[C@@H](C)CCCCC)co2)cc1 72181589 VJEIESGTAJWVAL-SFHVURJKSA-N 342.527 6.133 0 1 EKAF O=C(NCCC1=CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 82089370 VXJICLSOKKTKOA-UHFFFAOYSA-N 346.430 5.115 0 1 EKAF Cc1cccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)c1 84689893 VJRNDSQCSFWPFE-UHFFFAOYSA-N 346.426 5.258 0 1 EKAF COc1ccc([C@@H]2c3cc(N)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1 96914917 SZCLLZGURKFTOL-BJQRDSPESA-N 344.458 5.212 0 1 EKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)cc12 196621825 IUJFQZBWGCCVPO-UNMCSNQZSA-N 344.495 5.089 0 1 EKAF O=C(O)CCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930501 LNZVFVDXQMOFRR-CQHGLTIFSA-N 332.528 5.900 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 586882116 UHKKOZYMHNRCRU-UHFFFAOYSA-N 344.256 5.075 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccnc(Cl)c2[nH]1 587050854 RAAYSMOYRCTWCT-JGVFFNPUSA-N 338.625 5.189 0 1 EKAF Cc1ccccc1[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587207474 LLABGDOUMYXDJA-LJQANCHMSA-N 347.417 5.443 0 1 EKAF O=C1c2ccccc2-c2cc(C3CCSCC3)nc3cccc1c23 587207672 IONUBRJGUASKCK-UHFFFAOYSA-N 331.440 5.057 0 1 EKAF Cc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587524044 JMJBOWZIOITBKJ-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF CC1(C)[C@@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527810 WRPOYPYDRQDEOI-YKSBVNFPSA-N 346.470 5.483 0 1 EKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2OCc2ccccc2)cc1 587634670 OTHCVVOLJAIOBS-UHFFFAOYSA-N 335.353 5.692 0 1 EKAF CCCC/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816447 YGTGMGZLHOAYBQ-DCIWPNQLSA-N 340.280 5.084 0 1 EKAF CCc1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2c1 587931703 MKQVYAJXKDIGKM-UHFFFAOYSA-N 328.415 5.468 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)c1 587933290 XSRYNBWPTQHTMX-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC(=CCC[C@H](C)CC(=O)O)CCCc1coc(Cc2ccoc2)c1 2356589476 ZHCWVWHUMIPRDH-KRWDZBQOSA-N 344.451 5.623 0 1 EKAF CC=C(C)[C@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 2356787678 BPCJATNZUJNOJC-LAUBAEHRSA-N 328.452 5.012 0 1 EKAF C=CN(O)NCCCCCCCC(=O)CCCCC[C@@H](C)CC 2356852819 QTSYOLZPJYWNEY-SFHVURJKSA-N 326.525 5.232 0 1 EKAF CCCCN(CCCC)C1(c2cc3ccccc3s2)CCCCC1 1657598 FYLDYQIIWMXKFP-UHFFFAOYSA-N 343.580 6.963 0 1 EKAF COc1c(C)cnc(CC[C@]2(C)Nc3cc(Cl)ccc3S2)c1C 29563635 NQMGUDLJJLXYEB-GOSISDBHSA-N 348.899 5.227 0 1 EKAF Cc1ccc([C@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 49616018 RIDODIRIOLRCAA-JOCHJYFZSA-N 326.443 5.303 0 1 EKAF CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](O)CCC1(C)C 95626185 ULTPFVHSYYJYAE-LSAGMBGNSA-N 344.495 5.052 0 1 EKAF in-man Clc1cccc([C@H]2C3=C(CCCC3)Nc3cc4c(cc32)OCO4)c1 101645119 HFSZIZDBDMENHB-FQEVSTJZSA-N 339.822 5.454 0 1 EKAF C[C@@H](c1ccccc1)n1ccnc1C(c1ccccc1)c1ccccc1 115933220 CMXRBXKEUYKITA-IBGZPJMESA-N 338.454 5.673 0 1 EKAF CC(/C=C/Cc1ccoc1)=C\[C@H](O)C/C(C)=C/CCc1ccoc1 140169622 YORXHKRBOKTBBA-MZTNVOOYSA-N 326.436 5.248 0 1 EKAF Cc1cccc2sc(C3=NCCc4ccc(Cl)cc43)c(Cl)c12 144718136 BTEOBYODMQVGSM-UHFFFAOYSA-N 346.282 5.910 0 1 EKAF Cc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(=O)O)c1 169701306 IUQINGUKJYNDBR-UHFFFAOYSA-N 341.410 5.363 0 1 EKAF Cc1ccc2c(c1)[C@@H](O[C@@H]1C[C@@H]3CC[C@H](C1)N3C)c1ccccc1C=C2 238781137 UOOYAPDETFUJIV-BLRYILKCSA-N 345.486 5.210 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cccc(SC)c3)cs2)c1 473083709 DCOLZUKLPADCJP-UHFFFAOYSA-N 344.530 5.419 0 1 EKAF CC(=O)O[C@@]1(C(C)C)C/C=C(\C)CC[C@@H]2O[C@@]2(C)CC/C=C(\C)CC1 473123063 KGAPWUKEVCIPOW-MDSZWTHSSA-N 348.527 5.739 0 1 EKAF CCN(CC)c1ccc2nc(-c3cccc4ccccc34)nc(O)c2c1 473147599 FSZIGSRNBZEODQ-UHFFFAOYSA-N 343.430 5.002 0 1 EKAF Cc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587161765 QUERXDOGZWMNSY-CHWSQXEVSA-N 345.215 5.044 0 1 EKAF Fc1ccc2c(-c3nc4cccc(OC(F)(F)F)c4[nH]3)coc2c1 587175550 UKFONEBUOQCMCZ-UHFFFAOYSA-N 336.244 5.014 0 1 EKAF Cc1nc2cccc3c2c(c1[C@H]1C[C@H]2CC[C@H]1C2)-c1ccccc1C3=O 587205541 BYDFLFXLJWHSOA-DOXZYTNZSA-N 339.438 5.658 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C3CCCC3)C1)CC2=O 587476740 AQSVDHKAPJGMOM-YCRPNKLZSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccccc3)C1)CC2=O 587485335 UPHZUNWCJQTUOI-ZHRRBRCNSA-N 336.431 5.016 0 1 EKAF CCc1oc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534834 ZQSXQSINKIZAOM-NRFANRHFSA-N 346.426 5.581 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3ncccc3C)c2c1 587641591 NCUKIUWMZBEREA-LLVKDONJSA-N 332.369 6.071 0 1 EKAF Clc1cccc(-c2cc(-c3ccco3)c3oc4ccccc4c3n2)c1 1772577001 IWVANZISEUPCQX-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF CC(=CCC=C(C)CCC[C@H](C)CC(=O)O)CCCc1ccoc1 2356312786 KSTCDJCONINIIV-IBGZPJMESA-N 332.484 6.166 0 1 EKAF CCCCCC=CC[C@H](O)C=CC=CCC=CCCCC(=O)OC 2356468673 LVROTUSMCTWPNI-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CCO[C@@H]1c2cc(OC)c(OC)cc2-c2ccc3ccccc3c2N1C 1629543 URZDFUIXJZWTKL-JOCHJYFZSA-N 349.430 5.009 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCO 13490259 REKBPVNFOXDNRG-DOFZRALJSA-N 346.555 6.474 0 1 EKAF Cc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCCCC1 25968269 KRXPHOAJOARONV-OAQYLSRUSA-N 339.504 5.409 0 1 EKAF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(C(C)C)cc1)[C@H](C)C2 40934193 MSNFOTRDVKJSKL-HZPDHXFCSA-N 339.479 5.339 0 1 EKAF CC1=C[C@H]2c3c(O)cc(CCCCCF)cc3OC(C)(C)[C@@H]2CC1 87722513 XCZQGIURKKMVKP-IAGOWNOFSA-N 332.459 5.685 0 1 EKAF O=c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)oc2ccccc12 96937346 AIZTWJVKZIIEBP-UHFFFAOYSA-N 348.785 5.906 0 1 EKAF c1ccc(OCCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 253636573 NEAVYIKGAQRZEX-JTSKRJEESA-N 346.474 5.089 0 1 EKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023375 JYDFAZIMFGQNOT-UHFFFAOYSA-N 333.460 5.651 0 1 EKAF CCc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114658 WUIVLZIWUFQXHO-LBPRGKRZSA-N 332.369 5.490 0 1 EKAF Fc1ccccc1CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587148703 DTDUDFZPTLQPQJ-UHFFFAOYSA-N 342.723 5.159 0 1 EKAF Cc1c(F)ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242375 RHSBTSGIUDTEJL-UHFFFAOYSA-N 339.414 5.052 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C1CCC(C(C)C)CC1)CC2=O 587483266 PZHFGSNTIZREBS-WSNMIEGMSA-N 330.468 5.141 0 1 EKAF O=C1C[C@@H](c2ccc(F)c3ccccc23)Oc2c1ccc1c2CCCC1 587510911 YWCDVUUGWXDLFS-QFIPXVFZSA-N 346.401 5.564 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587930839 GWZDYRWRVLHVAX-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587952031 WOOYGLMIRJDVPM-UHFFFAOYSA-N 348.324 5.060 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@H]2[C@H]1COC(=O)C1 2356347057 AQARKTASOBROAE-FIZWBQFBSA-N 344.539 5.599 0 1 EKAF CC(=CCl)CC=CC=CC(=O)N[C@@H](C)C=CCCC=CCl 2356638886 VOWNHWSVEUWZQX-INIZCTEOSA-N 328.283 5.225 0 1 EKAF CC(C)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 61930344 NBDOHHMZYVHRSO-SFHVURJKSA-N 345.414 5.293 0 3 EKAF CC(C)c1ccc(CN2CC[C@](C)(Oc3ccc(Cl)cc3)C2)cc1 61930545 UUBFLEHRYOYQFH-NRFANRHFSA-N 343.898 5.507 0 3 EKAF Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(C)cn23)cc1 72137931 TVDGOWLQGKKKPG-UHFFFAOYSA-N 346.861 5.862 0 3 EKAF Cc1cccc(NC(=O)NCC=C(c2ccccc2)c2ccccc2)c1 13451868 AQCRRYHNTDGOLK-UHFFFAOYSA-N 342.442 5.248 0 1 EKAF in-vivo CCn1ccc2cccc([C@H](c3ccc(Cl)cc3)n3ccnc3)c21 13489555 NRBXJYYBRQNWRC-FQEVSTJZSA-N 335.838 5.149 0 1 EKAF Fc1ccc(CCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 13827318 TYLIVIWKWHWCFT-PGRDOPGGSA-N 348.465 5.392 0 1 EKAF CCCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C 26385915 WEKCALMIPLUCLC-UHFFFAOYSA-N 330.859 5.483 0 1 EKAF Clc1ccc(-c2cc(-c3ccco3)cc(-c3cccs3)n2)cc1 45336433 KTKLECBZAHBVRE-UHFFFAOYSA-N 337.831 6.391 0 1 EKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2)o1 82162532 NPTUOYGNLSVUPR-KBXCAEBGSA-N 348.450 5.098 0 1 EKAF Clc1ccc2c(c1)-c1nc(NCc3ccco3)sc1CS2 96905934 UOWBVSPALIHNQA-UHFFFAOYSA-N 334.853 5.274 0 1 EKAF CC(C)Oc1cc(OC(C)C)c2c(=O)cc(-c3ccccc3)oc2c1 103207994 YZBUGXXNJUPERV-UHFFFAOYSA-N 338.403 5.034 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2C1 587034838 ZMZLXTVMNPLVFF-SSDOTTSWSA-N 338.263 5.118 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 587062883 XRGIQFBVBJUDQH-LLVKDONJSA-N 340.732 5.164 0 1 EKAF Cc1cc2c([nH]1)CC(C)(C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527009 STDLTRKDFGOCEW-HSZRJFAPSA-N 349.474 5.035 0 1 EKAF CC(C)=CCC[C@@H](C)C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528172 YSPUIIWFHGTNRK-SJLPKXTDSA-N 326.480 5.672 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2cc(Cl)c(F)cc12 587630331 YXHSVQPDRXXHNE-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccncc3)c2c1 587642730 VCOHHJVMFBVXHB-NSHDSACASA-N 346.352 5.326 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1 587779836 GIFMDCLIDVDBLM-UHFFFAOYSA-N 342.442 5.912 0 1 EKAF C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587966112 ASFZGPHZSJREQG-GZBFAFLISA-N 343.455 5.519 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1F)C1CCC1 963230348 PHFWTOCBMVZTBT-GAJHUEQPSA-N 337.482 5.526 0 1 EKAF C[C@H](CCC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 2356380110 RMOANDLRKRTOAX-YRJWVXGYSA-N 338.532 5.261 0 1 EKAF CCCCCCC1=CC(=Cc2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 2356610920 BXXMQNCDPMEIHH-UHFFFAOYSA-N 337.467 5.731 0 1 EKAF CO[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@H]1Cc2ccccc2O1 2356679559 XMEKRGPWDVRQKA-FGZHOGPDSA-N 340.463 5.266 0 1 EKAF Cn1cc([C@]2(C)CC(C)(C)c3c2n(C)c2ccccc32)c2ccccc21 1628788 YWGIJEUCONVDOX-DEOSSOPVSA-N 342.486 5.657 0 1 EKAF Cc1cccc(Nc2c(-c3cccs3)nc3nc(C)cc(C)n23)c1 4903580 SXKBARKLMWKUTE-UHFFFAOYSA-N 334.448 5.127 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@@H]2CC[C@H]1N2C 13756668 QRTMYRXFCOZLFS-HIUFNZKISA-N 327.512 5.136 0 1 EKAF c1ccc(CN2CCC3=C(C2)[C@H](c2ccccc2)c2ccccc23)cc1 28263101 WNNUGNUPCHFHOT-RUZDIDTESA-N 337.466 5.492 0 1 EKAF Cc1cc2[nH]c(Nc3ccc(Cl)c(Cl)c3)nc2cc1Cl 40393303 MNYKQGBNVJDCFU-UHFFFAOYSA-N 326.614 5.575 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nc(-c2cccnc2)co1 40872859 PRLDLKQCFZXJIU-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF CCCn1cc(C(=O)c2cccc3ccc(C)cc23)c2ccccc21 43022401 ZKOYGSLENBLSRY-UHFFFAOYSA-N 327.427 5.744 0 1 EKAF COc1ccc([C@H](Sc2ccc(Cl)cc2)c2cccnc2)cc1 43024674 SFODNIWQXLDPLG-IBGZPJMESA-N 341.863 5.625 0 1 EKAF CC1(C)C[C@](CCNc2ccc(F)cc2)(c2ccccc2)CCO1 72109050 RDNZMRILSDPVSL-OAQYLSRUSA-N 327.443 5.155 0 1 EKAF CC(C)[C@@H]1/C=C/[C@@]2(C)Oc3ccccc3C[C@@H]2CC[C@](C)(O)CC1 238736501 PHENPXQNEKYPGI-YWFWZWDGSA-N 328.496 5.150 0 1 EKAF Cc1ccc(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1 586964147 WMCRDQSANZTEEX-UHFFFAOYSA-N 338.263 5.174 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cs2)o1 587016288 JDAOZQQGLCIYMW-UHFFFAOYSA-N 337.448 5.552 0 1 EKAF Fc1ccc(S)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587140955 KTXQFKWNYUSVDC-UHFFFAOYSA-N 346.736 5.330 0 1 EKAF CCCCCOc1cc2nc(C=C3CCC3)[nH]c2cc1Br 587965023 MHRFBOVKUCLQEN-UHFFFAOYSA-N 349.272 5.462 0 1 EKAF FC(F)(F)c1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965800 YFQOTAPWCGSACJ-UHFFFAOYSA-N 332.369 5.421 0 1 EKAF FC(F)(F)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587970163 ZCCRCOGJNGTEBJ-FLIBITNWSA-N 338.332 5.905 0 1 EKAF CCC=CCC=CCC=CCC=CCCC=CCCCC(=O)OC 2356462445 RRPJCVGNLPATGI-UHFFFAOYSA-N 330.512 6.471 0 1 EKAF CC(=CC=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2356692293 QISFQSCEYMPVBC-DZFGPLHGSA-N 326.480 5.650 0 1 EKAF O=C(O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12 33595850 RMTCEQSLPGEKAH-UHFFFAOYSA-N 340.422 5.479 0 1 EKAF in-vitro Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 36388032 IRFOEHYGMSKERJ-REIYTJMXSA-N 349.449 5.046 0 1 EKAF Fc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccc(Cl)cc1Cl)C3 43021104 MIOSUUKJDJMGNW-OAHLLOKOSA-N 338.234 6.003 0 1 EKAF Cc1c(-c2ccc(Cc3ccccc3)cc2)[nH]c2ccccc2c1=O 84651847 RUYQSLIPJDEEIX-UHFFFAOYSA-N 325.411 5.094 0 1 EKAF Oc1ccc(-c2ccc(-c3ccc(O)c(Cl)c3)s2)cc1Cl 95589585 NTAUDRWUUQVDRH-UHFFFAOYSA-N 337.227 5.800 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@]12C[C@]1(C)CCCC2(C)C 101183361 ZQAZXAXJQNKOAF-XRKMEFIYSA-N 342.523 6.161 0 1 EKAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)O[C@H](C)[C@H]2C 195271181 RWJYFOPTQIOOKN-STXHMFSFSA-N 333.475 5.103 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(F)c2)C1 299827170 GITCVVILKRXPES-MRXNPFEDSA-N 346.833 5.538 0 1 EKAF COc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1C 586896601 ORUZNGXXNNVXSU-UHFFFAOYSA-N 338.451 5.499 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586898746 NCKDKQAPBUHURI-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF Cc1c(C2CCCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991114 IVSUJKGFWKJTHQ-UHFFFAOYSA-N 329.399 5.118 0 1 EKAF O=C1c2ccccc2-c2cc(C=C3CCCCC3)nc3ccc(O)c1c23 586991592 PVHUFXOFQUFJDX-UHFFFAOYSA-N 341.410 5.499 0 1 EKAF CCc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063307 SROKYRUXUFZQMC-UHFFFAOYSA-N 346.861 6.037 0 1 EKAF COc1cccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c12 587073298 BDSZICYWFDDWMA-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Cc1ccc2c3c(c(C4CCCCCC4)cnc13)-c1ccccc1C2=O 587100285 FGKPOVCTYBLDMJ-UHFFFAOYSA-N 341.454 6.192 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587153477 SAKNKZAWXCOAIP-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccccc1)CC2=O 587486270 XJRVNZGNNXSWOS-PGRDOPGGSA-N 336.431 5.016 0 1 EKAF CC[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522006 DZJJJXDMWMAUNO-SBUREZEXSA-N 332.443 5.008 0 1 EKAF CCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602133 WKGHTTMIRLHLMZ-WIYYLYMNSA-N 340.419 5.083 0 1 EKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624511 NVPYWVSKRIDWQB-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1 587642199 QQQSFQMAMRMFOP-ZDUSSCGKSA-N 347.836 6.560 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCCCC2)N1 587821515 VGLCIQRYBZUSBE-BZNIZROVSA-N 340.280 5.134 0 1 EKAF CCSc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962668733 XQDILSBZVCHZOE-HSZRJFAPSA-N 345.511 5.701 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(c3cccs3)=NO2)cc1 1857636575 MJAQKMQFMCCRKZ-SFHVURJKSA-N 344.439 5.762 0 1 EKAF Cc1cc(O)c2c(c1)O[C@H]1[C@H]3[C@@H]2OC[C@]32CCCC(C)(C)[C@H]2C[C@H]1C 2356506064 ADRYYXMGPFFUGO-RNZXDJDHSA-N 342.479 5.002 0 1 EKAF CCC1=C[C@](CC)(C[C@H](CC)CC(CC)CC)OC1=CC(=O)OC 2356675821 HAXCESPGDCXOAV-UTKZUKDTSA-N 336.516 5.801 0 1 EKAF CCC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1ccc(O)c(OC)c1)O2 2356698617 FMPYPHJPXNPQNT-RNODOKPDSA-N 340.419 5.070 0 1 EKAF CCC=CCCC=CCCCCC=CCCCC=CCCC(=O)O 2356797300 NTXLLHGDPUQRMW-UHFFFAOYSA-N 332.528 6.997 0 1 EKAF CN(C)CCCCOc1ccccc1/C=C/c1ccccc1Cl 27717671 AFUMXEIPDFQUFG-BUHFOSPRSA-N 329.871 5.231 0 1 EKAF CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 29061415 CODNLKSZUDXSLW-UHFFFAOYSA-N 325.235 6.080 0 1 EKAF in-vivo CCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21 38306888 RTGIZGGGWCYGAL-UHFFFAOYSA-N 343.426 5.444 0 1 EKAF O=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2)c1)C1CCCC1 40823024 QGBKMFVSXZKFET-UHFFFAOYSA-N 341.454 6.149 0 1 EKAF Cc1cc(C)cc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107826 QLVQCSSZKFDFGN-HSZRJFAPSA-N 337.507 5.632 0 1 EKAF Cc1cccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12 72177913 FKSAWGDCELGVTE-UHFFFAOYSA-N 339.870 5.708 0 1 EKAF CCCCCN(Cc1coc(-c2ccc(O)cc2)n1)c1ccccc1 72183926 USWJUYDENGWMDD-UHFFFAOYSA-N 336.435 5.244 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103889341 RXAMOQHKOJWWJW-OAQYLSRUSA-N 332.447 5.866 0 1 EKAF CC[C@H](NC(=O)[C@]1(CC)[C@@H](C)C1(Cl)Cl)c1ccc(Cl)cc1 169318729 UHFUKYDZWOAKDT-DGFSRKRXSA-N 348.701 5.127 0 1 EKAF Cc1ccc(CSCCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 586970795 IZHSDSFVSPILHE-UHFFFAOYSA-N 336.504 5.226 0 1 EKAF FC(F)(F)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027697 GLMZALTVPAABBQ-UHFFFAOYSA-N 345.349 5.372 0 1 EKAF CC(C)Oc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085801 IOEKCMFGOMWVMW-UHFFFAOYSA-N 337.810 5.219 0 1 EKAF Cc1nc2cccc3c2c(c1CC(F)=C(F)F)-c1ccccc1C3=O 587103553 JGLRFEROEPCPMF-UHFFFAOYSA-N 339.316 5.375 0 1 EKAF Cc1c(F)c(C)c(F)c(C(=O)c2coc3ccc(Cl)cc23)c1F 587279028 ULOFSRQADJXBKK-UHFFFAOYSA-N 338.712 5.351 0 1 EKAF O=C1C[C@@H](c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587506776 OXPNSKOCJHWSFT-KRWDZBQOSA-N 347.241 5.579 0 1 EKAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cc(F)ccc12 587634695 BEGIHGIMXCOFQK-UHFFFAOYSA-N 330.362 5.226 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C(F)(F)F)ccc3F)c(C)c2c1 587640240 GMWXBKKSJMZPLC-NSHDSACASA-N 349.371 6.815 0 1 EKAF CCCC/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815542 NNRLIRDBADIKRG-GRJWDAFZSA-N 340.280 5.084 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587933380 WWFDKFUAQSUVOH-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)c(C)cc3[nH]2)cc1 587937224 ORXOFIFAAYFVSE-JOCHJYFZSA-N 342.442 5.369 0 1 EKAF COc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Cl 587961752 PFDCTYITTRNKMH-UHFFFAOYSA-N 348.833 5.483 0 1 EKAF Cc1cc(C)cc([C@]2(C(C)(C)C)NCCc3cc(C)c(F)cc32)c1 962141409 CISCKGXTZVJYGY-QFIPXVFZSA-N 325.471 5.186 0 1 EKAF CCCC[C@@]1(CC(C)C)c2ccsc2CCN1Cc1ccco1 962711555 MDAWMHIMYUZHMR-HXUWFJFHSA-N 331.525 5.831 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H](OC(C)C)c2ccccc2)N1 962944301 HNQLXJMEFRXYAG-ZQMYSKGWSA-N 348.490 5.300 0 1 EKAF C=CC(C)=CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]12C 2356382795 ODZIXXROBXQYOH-CDJZJNNCSA-N 348.527 5.046 0 1 EKAF CCC[C@]1(C)[C@H](C)CC=C2[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@@]21C 2356400695 HFWWPLGQXNNDTF-DUTLYACBSA-N 332.572 6.364 0 1 EKAF CCCCCC=CCC=CCCCCCCCc1cccc(O)c1 2356467554 VREFFWVNQXYUTN-UHFFFAOYSA-N 328.540 7.358 0 1 EKAF CC(=CCc1cc(O)c(C)cc1O)CCC=C(C)CC(=O)CC(C)C 2356630028 ZCOKHQKRINRIKC-UHFFFAOYSA-N 344.495 5.627 0 1 EKAF c1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)cc1 95568134 KIWRFKHZOLXILE-UHFFFAOYSA-N 340.470 6.126 0 3 EKAF CC(C)(C)OC(=O)n1ccc2ccc(-c3ccc4cc[nH]c4c3)cc21 200475547 JEWQPDISMSZDOC-UHFFFAOYSA-N 332.403 5.573 0 3 EKAF Cc1ccccc1-c1sc(Cc2ccccc2)nc1-c1ccccn1 16729 XNLYXHJWZJEYBT-UHFFFAOYSA-N 342.467 5.771 0 1 EKAF CSc1cc(-c2ccc(Cl)cc2)oc(=S)c1Br 26848513 DURXBXLHIVOLCT-UHFFFAOYSA-N 347.686 5.814 0 1 EKAF c1ccc(-c2ccc(-c3cn4c5c(sc4n3)CCCC5)cc2)cc1 28525549 QACOHSHSSRYUSU-UHFFFAOYSA-N 330.456 5.609 0 1 EKAF Cc1ccc(Cc2ccc(C)c(C(C)(C)C)c2O)c(O)c1C(C)(C)C 32149062 HZSSIVBUAMEIEB-UHFFFAOYSA-N 340.507 5.900 0 1 EKAF biogenic CC[C@@H](C/C=C/CCC(=O)O)CCCCCC[C@@H]1C=C(CCN)CC1 85489236 LSOXKPCHPZASBZ-ZLNADXECSA-N 349.559 5.850 0 1 EKAF biogenic,in-vitro Oc1cc(-c2ccccc2)nc2ccc3nc(-c4ccccc4)[nH]c3c12 169318214 NYGHXMFDXFVHKV-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N=N1 253648804 XFRVTPWXXZOYFP-JXUVHZKSSA-N 328.500 5.108 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1ccc(Cl)c(F)c1 473247757 HIPJBMDHVSKWJI-UHFFFAOYSA-N 346.833 5.250 0 1 EKAF O=C1c2ccccc2-c2cc(CCC3CCCC3)nc3ccc(O)c1c23 586992269 UTPITEVSIOHTNU-UHFFFAOYSA-N 343.426 5.275 0 1 EKAF Cc1cc(F)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587015989 MMIUOEJRPOHVAC-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cs1 587021827 QLXDESGLINJLSC-UHFFFAOYSA-N 349.246 5.297 0 1 EKAF c1cc(-c2ccsc2)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 587026132 AVLARDAVFFMHRJ-UHFFFAOYSA-N 327.412 5.507 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1F 587145982 YPNHIARVDZYQDE-UHFFFAOYSA-N 334.369 5.407 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CC[C@H]1C(C)C 587480393 JWGGWKZNOXMLBD-FNXXIHLHSA-N 330.468 5.141 0 1 EKAF O=C1CC2(CCC3(CCCCC3)CC2)Oc2c1ccc1c2CCCC1 587521543 COKBHWORWAQLCJ-UHFFFAOYSA-N 338.491 5.794 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(C(F)(F)Cl)[nH]c12 587624896 WBSMFCOEZXFZDV-UHFFFAOYSA-N 326.173 6.085 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(CCOC)c(-c3cccc(F)c3)c2c1 587643015 QUOTXFCMZIEROW-CQSZACIVSA-N 325.427 5.676 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1 587966688 DVUNMJXIHWAXLZ-SAPNQHFASA-N 332.447 6.505 0 1 EKAF COc1ccc(O)c(CC2=C(C)CCC[C@@]2(C)C=CC=C(C)C)c1 2356538691 NCAUXCIBEDUXEZ-JOCHJYFZSA-N 326.480 5.972 0 1 EKAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCOCC1 4595 HWYVKCUPNWXZEO-UHFFFAOYSA-N 348.442 5.071 0 1 EKAF CCCCC1(CCCC)CCC2(CCN(CCCN(C)C)C2)CC1 26746120 UCPGIPOYTHRGQO-UHFFFAOYSA-N 336.608 5.571 0 1 EKAF COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 27429023 LXQWWLANZWFJBQ-UHFFFAOYSA-N 344.241 5.327 0 1 EKAF Cc1cc(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc(C)c1O 32735872 ICDRUYXSVYNOGO-LLVKDONJSA-N 342.241 5.306 0 1 EKAF O=c1c(Cc2ccccc2)coc2cccc(OCC3CCCCC3)c12 49853481 QLQTUUKYHSWQFC-UHFFFAOYSA-N 348.442 5.343 0 1 EKAF O=C(Nc1ccccc1C(F)(F)F)Nc1cccc2ccc(O)cc12 71331998 JEIXXLGXDSVBFJ-UHFFFAOYSA-N 346.308 5.208 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 586880003 KEICUZMBBOCVSZ-IYARVYRRSA-N 332.491 6.694 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586903347 JOAIJPMLAFXENR-UHFFFAOYSA-N 331.202 5.845 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)o1 586903641 RSFXMUMXUCHDII-UHFFFAOYSA-N 343.213 6.105 0 1 EKAF Fc1cc(Cl)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085508 XASTXOORVQJCAX-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587161121 KGIWEOKNKOLDLO-OLZOCXBDSA-N 345.215 5.044 0 1 EKAF CC(C)[C@]1(C)Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206510 FADYBHYRFZDSHK-QHCPKHFHSA-N 327.427 5.207 0 1 EKAF CSc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242835 UOXYVXAZLYTALH-UHFFFAOYSA-N 347.443 5.401 0 1 EKAF Fc1ccc2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c2c1Cl 587628445 KWKVVNYUBDNCEK-UHFFFAOYSA-N 330.136 5.916 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@H](c1ccccc1-c1ccco1)NCC2 963105354 IQGDZDQZQSJYPQ-IBGZPJMESA-N 344.241 5.489 0 1 EKAF Fc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c1 1772607565 VDDQFYVVSOQPAX-UHFFFAOYSA-N 325.145 5.124 0 1 EKAF Clc1ccc2c(Nc3ccc(CN4CCCC4)cc3)ccnc2c1 1857749335 VZTYRAPXOKOYBU-UHFFFAOYSA-N 337.854 5.228 0 1 EKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 2356364687 ZVGQOQHAMHMMNE-OTHWRCMBSA-N 330.512 5.169 0 1 EKAF C[C@@H](CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1 26675036 LSGRVFKVXFZMMC-INIZCTEOSA-N 349.430 5.172 0 1 EKAF CC(C)c1ccc(C[C@@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 27526883 ZEMPFWJPDQMVKE-FQEVSTJZSA-N 330.855 5.340 0 1 EKAF CC1=C(/C=C/C(C)=C(\F)c2ccc(C(=O)O)cc2)C(C)(C)CCC1 28755697 JNVNIQZEQPKSMF-VNTZDZIASA-N 328.427 6.168 0 1 EKAF S=C(Nc1ccccc1)OCC(c1ccccc1)c1ccccc1 40423780 UARDLJXPYRIMQU-UHFFFAOYSA-N 333.456 5.232 0 1 EKAF CCCCC[C@](C)(O)CCC[C@@H](CCCCCCC(=O)O)C(C)=O 59903430 BMOURHSOVAKOBH-QUCCMNQESA-N 342.520 5.118 0 1 EKAF CNC(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccc(C)cc2)cc1 60222883 PQBPAEXWNYJAOG-UHFFFAOYSA-N 339.376 5.333 0 1 EKAF COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(C)c2cc1OC 95559470 BJUPLZCOCGVVHP-UHFFFAOYSA-N 335.447 5.525 0 1 EKAF CC/C=C/C=C/C=C/C=C/CCCCCCCCOC(=O)CC(C)C 238779448 QVLFQVORFCICKZ-AQPMYLLTSA-N 346.555 6.941 0 1 EKAF C[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1Cc1ccccc1 473234885 DUSXARLYRQZYJH-CQLNOVPUSA-N 325.455 5.320 0 1 EKAF Clc1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)s1 587022932 FUBWUKSHJRMJND-UHFFFAOYSA-N 343.864 5.491 0 1 EKAF Cc1cc(F)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587151212 WOXOZBUHRMHXMH-LJQANCHMSA-N 349.384 5.351 0 1 EKAF Cc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1C 587195981 LSWWUTLPFBQFDZ-UHFFFAOYSA-N 341.458 5.387 0 1 EKAF Cc1cc(C)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587955827 QIQQTEOCIMDAJZ-FQEVSTJZSA-N 326.443 5.554 0 1 EKAF CC(C)=CCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 1772587938 DZHNUXSJUOOPAT-UHFFFAOYSA-N 330.815 5.329 0 1 EKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1sccc1-c1ccsc1)C2(C)C 1857749592 UHKLAIBLWPUFFI-QIJZBDPFSA-N 331.550 5.637 0 1 EKAF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc(Cl)cc1 2356858667 GKYREVFMGZAUSE-UHFFFAOYSA-N 332.810 5.371 0 1 EKAF CCCCC/C=C\[C@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)OCC 14449829 QIAWNQWNJDEDRK-JGHLCRFSSA-N 348.527 5.666 0 1 EKAF CCC(CC)COc1ccc([C@H](CC(=O)O)c2ccccc2)cc1 14978874 VYGVLDBVEDZHAD-HXUWFJFHSA-N 326.436 5.108 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)CC(C)C)c1O 15120708 KVICTUDUJSJNSA-OQLLNIDSSA-N 346.467 5.267 0 1 EKAF Cn1ccc2c(-c3ccc(C(F)(F)F)cc3)cc3c(c21)[C@@H]1CC[C@H]3C1 72139478 VDRMZFYUZJCSMU-UONOGXRCSA-N 341.376 6.229 0 1 EKAF CCCN(CCC)CCOc1ccccc1CCC1CCCCC1 169327420 JDOJKLGBHKFIPN-UHFFFAOYSA-N 331.544 5.700 0 1 EKAF Cc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1F 587146396 KMTWPTRAPLFJGD-FMIVXFBMSA-N 344.389 5.973 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(F)c(C)c4[nH]3)c2)c1 587933351 MOUFJFHGPNMBGI-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(C)(C)C)c2[nH]1 587952436 QTJGVWUMDYOIFK-MPGHIAIKSA-N 328.500 5.907 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CC(=O)c1ccc(C)cc1 963238997 INZHBKJGERICGV-JPYJTQIMSA-N 335.491 5.140 0 1 EKAF Cc1ccc(C(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772619845 IHPNJFRCZYAYIL-UHFFFAOYSA-N 332.468 5.833 0 1 EKAF FC(F)(F)c1ccc(O[C@H](CCN2CCCC2)c2ccccc2)cc1 1857628985 ZUPZCTNIDRFPAZ-LJQANCHMSA-N 349.396 5.311 0 1 EKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCC=CCCC(=O)O 2356374732 DDCYKEYDTGCKAS-NRFANRHFSA-N 344.495 5.520 0 1 EKAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 254047174 LTDMCKMWCXEYTN-FVGIOTDFSA-N 330.512 5.049 0 3 EKAF Clc1ccc(-c2cc(-c3cccnc3)nc(-c3cccs3)c2)o1 45336315 BYKKJRCFKBANSD-UHFFFAOYSA-N 338.819 5.786 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(-c3ccccc3)on1)O2 72113658 WKWVGODTOHNLJK-JOCHJYFZSA-N 349.430 5.213 0 1 EKAF COc1c(C(C)C)cc2c(c1OC)CC1=CCCC(C)(C)[C@@H]1CC2 136274733 QXHAKXGZUGCVJD-LJQANCHMSA-N 328.496 5.679 0 1 EKAF biogenic,in-vitro O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(F)cc3)cc21 143265546 OWFBGZSNQFMYQE-IBGZPJMESA-N 344.307 5.271 0 1 EKAF COc1cc2cncc(Cc3ccc4sccc4c3)c2cc1OC 205663147 AJVMZTMITRAFNA-UHFFFAOYSA-N 335.428 5.058 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C)C4)-c1ccccc1C2=O 587100589 LPFBVPLTMGIICT-KGLIPLIRSA-N 327.427 5.125 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1sccc1C4)-c1ccccc1C2=O 587102511 WHUKIHASLHTWLL-UHFFFAOYSA-N 339.419 5.387 0 1 EKAF Cc1cc(Br)c(-c2nc3c(C)ccc(C)c3[nH]2)cc1F 587137652 DOOFAVLMVCRHNE-UHFFFAOYSA-N 333.204 5.057 0 1 EKAF Clc1ccccc1-c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587209410 PATVXYFBPFYQEH-UHFFFAOYSA-N 341.841 6.321 0 1 EKAF O=C1C[C@]2(Cc3cccc4cccc2c34)Oc2c1ccc1c2CCCC1 587529172 KCYAPGZJJJUOJW-DEOSSOPVSA-N 340.422 5.135 0 1 EKAF Oc1ccc2cccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c2c1 963118583 GCGUXFWVZGGLAR-IBGZPJMESA-N 344.241 5.087 0 1 EKAF Cc1ccc(C(=O)c2c(-c3ccccc3)sc3c2CCCCC3)cc1 1772652837 WAMAHMNAQCUURZ-UHFFFAOYSA-N 346.495 6.223 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CC[N@@]2C[C@@H]2C)c(C)c1 1857612565 DETKPDOOZBSGDJ-UWJYYQICSA-N 333.541 5.253 0 1 EKAF CCCCCC(C)(CCCCC)OC(=O)c1cnc(Cl)cn1 5972995 SQCFOAWROYZSCB-UHFFFAOYSA-N 326.868 5.206 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2O 13302645 HCQUMJYLWCSLLR-CKJXQJPGSA-N 332.484 5.045 0 1 EKAF biogenic O=c1[nH]c(CCC[C@@H]2CC=C(c3ccccc3)CC2)nc2ccccc12 13581567 ATCYMNXIYDUNDJ-QGZVFWFLSA-N 344.458 5.130 0 1 EKAF CC1(C)[C@H]2CC[C@@]3(C)[C@H](Cc4cc5ccccc5n43)[C@@]2(C)CC[C@H]1O 15263799 FTYDACQRNQFAGR-UJNULRONSA-N 337.507 5.126 0 1 EKAF CC[C@@]1(CC(=O)O)CC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 26286942 SXRHRXQIIXSYKA-HXOBKFHXSA-N 347.458 5.411 0 1 EKAF COC(=O)c1ccc(/C=C(C)\C=C\[C@@]23C[C@]2(C)CCCC3(C)C)cc1 28235729 IBEMBIRFSWLHPM-ONCQBMHBSA-N 338.491 6.039 0 1 EKAF C[C@@H](Nc1ncc(-c2ccc3ccccc3c2)n1C)c1ccccc1 29325764 NLEYRBZBSXZMBO-MRXNPFEDSA-N 327.431 5.413 0 1 EKAF CO[C@H](C)C1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC1 33953699 RKWVSFHNPUONCU-SPWJMNGISA-N 330.468 5.228 0 1 EKAF CCCCOc1ccc(CN[C@@H](C)Cc2ccc(SC)cc2)cc1 40848027 ITKQKEKQFMGBAT-KRWDZBQOSA-N 343.536 5.308 0 1 EKAF O=C(SCCc1ccccc1)N1c2ccccc2Oc2ccccc21 95575294 SPCQITGBSXIJTA-UHFFFAOYSA-N 347.439 6.026 0 1 EKAF O=C(Oc1cccc2oc(C3CC3)cc12)c1cccc2ccccc12 96922089 KXYZIFXTDBDNLD-UHFFFAOYSA-N 328.367 5.683 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)CC 169361900 HOXOFQRJSLAPOO-AIBIWWTJSA-N 331.544 6.268 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586963453 OBXCIGDFQLLHAK-SECBINFHSA-N 338.810 5.489 0 1 EKAF Cc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016165 QRJYRUOQJBWNFQ-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF Fc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c(F)c1F 587055985 YCNQLVLSLUIWQM-PLNGDYQASA-N 343.135 5.457 0 1 EKAF CC(C)(C)[C@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587524680 LVZIXEUQAPZECQ-SBUREZEXSA-N 340.507 5.896 0 1 EKAF CCCC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813723 PKIULYCEALXZJJ-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF Clc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Cl 587968205 LSFOJPRKAMUUNM-CMDGGOBGSA-N 339.225 6.193 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(Br)c(F)c2[nH]1 587968882 VMCAXSHJBJOWKC-LUAWRHEFSA-N 337.236 5.614 0 1 EKAF Clc1ccc2c(c1)N(CC[C@H]1CCCCN1)c1ccccc1S2 1772623951 IAFZOTMGZGOWCB-OAHLLOKOSA-N 344.911 5.475 0 1 EKAF COc1cc2c(c(OC)c1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC[C@]21C 2356434667 AFQBYPPKKHHGNA-VGOFRKELSA-N 344.495 5.036 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CC(=O)C[C@]12C 2356470017 LABJRCCKHONGEZ-RZUBCFFCSA-N 346.511 5.254 0 1 EKAF CCCCC[C@H](O)C=CCCCCCCCc1cc(O)cc(O)c1 2356561684 JAIDXIXLHIPVKV-IBGZPJMESA-N 334.500 5.478 0 1 EKAF COC(=O)[C@H](C)C=CC=C(C)C1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356805749 ZWNCGUAPZPVWIM-DNVFCKCGSA-N 344.539 6.241 0 1 EKAF COC(=O)c1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C 34960911 CVPZICAQFDVNJU-UHFFFAOYSA-N 341.410 5.299 0 3 EKAF CC(C)c1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 61907900 YHEXXEYRDZDDIR-GOSISDBHSA-N 327.424 5.154 0 3 EKAF Cc1cc(CCCOc2c(C)cc(-c3cccc(F)c3)cc2C)on1 3590504 JZOMCWIDFPUMDU-UHFFFAOYSA-N 339.410 5.418 0 1 EKAF Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl 13553761 CMKIJASLASXGTK-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF COc1cccc2c(Nc3ccccc3C)c(C(=O)C(C)(C)C)cnc12 13727241 JSPKHXYRLFEWHI-UHFFFAOYSA-N 348.446 5.524 0 1 EKAF Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccc(OCCC(C)C)cc1 29128634 LJCAGSUYSZVIQZ-UHFFFAOYSA-N 342.483 5.082 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CCN2C[C@H]2C)c(C)c1 43022437 DETKPDOOZBSGDJ-OQHSHRKDSA-N 333.541 5.253 0 1 EKAF Cc1ccc(-c2nc(CN(C)Cc3cccc4ccccc34)co2)cc1 72182395 CDLBUQNVXKBOBL-UHFFFAOYSA-N 342.442 5.435 0 1 EKAF CC(C)(C)[C@H]1CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 169343274 PTXFSRFFVSYMDW-VJBMBRPKSA-N 345.530 5.730 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H]1CS1 299846317 KEUSUQKYRBAZTR-NDUYDNQLSA-N 332.553 5.042 0 1 EKAF Cc1c(F)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074306 RQJACAHTZZWTHX-QGZVFWFLSA-N 343.833 5.001 0 1 EKAF Cc1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1C 587075259 AKMXDXZBAZSPAS-UHFFFAOYSA-N 349.821 5.268 0 1 EKAF Cc1cc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c(C)n1 587162514 CIPLRILANXWRIO-WJDWOHSUSA-N 349.434 5.364 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3cnccn3)c2c1 587644496 XQHCNVWICZBGAB-HNNXBMFYSA-N 327.431 5.805 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)cc1 587924589 DVJHEGXDQKMKHL-UHFFFAOYSA-N 325.502 6.322 0 1 EKAF CCCC[C@@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962661955 IPSLXYZECQXABJ-ZJSXRUAMSA-N 333.519 6.075 0 1 EKAF Cc1ccc(Cn2ccc3c4ccccc4nc-3c2-c2ccccn2)cc1 1857592462 MDMVMMBKVDLTEP-UHFFFAOYSA-N 349.437 5.560 0 1 EKAF COC(=O)C1=CCC[C@@H]2C(=CC[C@H](C)[C@]2(C)CCc2ccoc2)C1 2356416731 CZVZMXDHIOAILF-DLVCFXQMSA-N 328.452 5.084 0 1 EKAF CC(=O)O[C@H](C[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)C(C)=CCO 2356729644 XXKXYCZWYIZXHT-XWSHUIEDSA-N 348.527 5.046 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCC(=O)O 2356865634 WCRFRXLBAPIROM-UHFFFAOYSA-N 344.539 7.163 0 1 EKAF Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)(C)C)n1 11821473 PHFRDVRIYGMOQT-OAQYLSRUSA-N 333.479 5.017 0 3 EKAF C/C(=C\C(=O)OCc1ccoc1)CC/C=C(\C)Cc1cc(C)co1 6070227 WMZXPVNHOWYKDN-SKJRKUQSSA-N 328.408 5.140 0 1 EKAF O=C(NCc1ccccc1)c1cc(-c2ccccc2)c2ccccc2c1 13525310 KKZJRFILRDRCTQ-UHFFFAOYSA-N 337.422 5.437 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C=O)cc2C)c1C 14974998 HMAJCKVSHDTRKG-UHFFFAOYSA-N 341.451 5.487 0 1 EKAF CCN(CC)c1cc(/C=C/c2ccc3ccccc3c2)ccc1OC 28116598 DQERTKIZFFLPRL-ZHACJKMWSA-N 331.459 5.865 0 1 EKAF Oc1cc(-c2cccnc2)ccc1Oc1ccc(Cl)cc1Cl 29060899 QZPFPIZULRKVFH-UHFFFAOYSA-N 332.186 5.553 0 1 EKAF Clc1cccc(CSc2ccc(-c3ccccn3)nn2)c1Cl 72122800 HIEGEQMCQJFCSD-UHFFFAOYSA-N 348.258 5.138 0 1 EKAF CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OCCC 95618252 SFPNSCZLRJDTGT-IXDOJHRFSA-N 340.548 5.948 0 1 EKAF endogenous,in-man CCCC[C@@H](C(=O)OCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169321147 YCKOKQJTEKCYLP-MRXNPFEDSA-N 348.527 5.824 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(C)c4[nH]3)cs2)o1 587017175 SKSXWPYAHUWYME-UHFFFAOYSA-N 329.812 5.217 0 1 EKAF COc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587050148 OUZLECHXYMHAIP-WDEREUQCSA-N 347.245 5.458 0 1 EKAF Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094533 AZROGQPSPAENMT-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF Cc1ccc2c3c(c([C@@H](C)c4ccccc4)cnc13)-c1ccccc1C2=O 587099730 UIKSYXYSAUUYDN-INIZCTEOSA-N 349.433 5.906 0 1 EKAF O=C1c2ccccc2-c2c(C[C@@H]3C[C@H]4CC[C@H]3C4)cnc3cccc1c23 587207927 OTEKVQUFIZSKRN-JYJNAYRXSA-N 339.438 5.425 0 1 EKAF Cc1cccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c12 587528281 YOHWKCQEOMYHCJ-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF Cc1cc(Cl)cc2c(-c3cccc(Cl)c3)c(CC(C)C)[nH]c12 587624671 RAUGVWZOVOAJQC-UHFFFAOYSA-N 332.274 6.649 0 1 EKAF COc1cc(C)ccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587926202 VBILZSPXBQPVEW-UHFFFAOYSA-N 330.387 5.339 0 1 EKAF C[C@H]1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3[C@H](C)[C@@H]12 1772615590 MWEAKHOVJKHXJC-QYZKDEOYSA-N 335.447 5.718 0 1 EKAF C/C=C/c1ccc(Oc2cc(/C=C/C)cc(OC)c2OC)c(OC)c1 1857560710 OZZIYCGCHYLQCO-CDJQDVQCSA-N 340.419 5.571 0 1 EKAF CCCCc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)cc1 1857571595 QKHKWFBABISOFA-UHFFFAOYSA-N 331.419 5.151 0 1 EKAF CCCCCC=CCC=CCC[C@H](O)C=CC=CC=CC(=O)OC 2356665881 FWTFYLONKJJMTJ-FQEVSTJZSA-N 332.484 5.052 0 1 EKAF O[C@H](c1cccc(Cl)c1)c1nc(/C=C/c2ccccc2)cs1 61904011 ONLHSNZXEUVTAC-OAGJVSPASA-N 327.836 5.049 0 3 EKAF Fc1ccc(-c2oc(-c3ccc(Cl)cc3)cc2-c2ccncc2)cc1 3832166 VFUJKZPVGRYZQX-UHFFFAOYSA-N 349.792 6.468 0 1 EKAF CC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)O1 72107263 ZLFMQBZRZIATAG-UHFFFAOYSA-N 337.507 5.794 0 1 EKAF O=c1cc(/C=C/c2ccoc2)occ1Oc1cccc(Cl)c1Cl 473113233 IBWQSLRZGARDPU-SNAWJCMRSA-N 349.169 5.502 0 1 EKAF c1cc(-c2ccsc2)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587027063 OAUZBWQJPCISCL-UHFFFAOYSA-N 348.427 5.120 0 1 EKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 587069409 KALYMBGQPBUXID-SNVBAGLBSA-N 333.218 5.246 0 1 EKAF O=C1c2ccccc2-c2cc(C(Cl)(Cl)Cl)nc3cccc1c23 587101415 GQLZPRZIVHZISR-UHFFFAOYSA-N 348.616 5.273 0 1 EKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cccc(F)c2[nH]1 587151418 YDRQLQXUJIRVDW-SFHVURJKSA-N 335.357 5.043 0 1 EKAF C/C=C/c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365265 IWNYHKNMUQBITR-XBXARRHUSA-N 329.399 5.998 0 1 EKAF O=C1C[C@H](c2cccc3c2CCCC3)Oc2c1ccc1c2CCCC1 587527966 YAHQYYXYWHETFI-JOCHJYFZSA-N 332.443 5.151 0 1 EKAF CCCC(CCC)[C@]1(c2ccccn2)NCCc2cc(C)c(F)cc21 962148750 USWXBPPNFSHULI-QFIPXVFZSA-N 340.486 5.135 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@H]([C@@H]1CCCCc3ccccc31)NCC2 963113190 VOMABHKDAMLUBB-YLJYHZDGSA-N 346.301 5.690 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)C[C@H](O)[C@H]12 2356406959 MHVGGXRUWKWUJE-IIERAYBDSA-N 348.527 5.044 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC[C@@H](C)c1ccccc1 36386663 OSCXLURORMOWJB-KNQAVFIVSA-N 349.522 5.379 0 3 EKAF O=c1c(Cc2ccc(Cl)cc2)coc2cc(Cl)cc(Cl)c12 3637272 ZFWVWKKUBBXGLT-UHFFFAOYSA-N 339.605 5.344 0 1 EKAF CCCNC(=O)c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2 5035927 YBNWTPSPKASYNU-UHFFFAOYSA-N 338.476 5.049 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2)o1 13611946 GEHXWVPLQWJJQM-UHFFFAOYSA-N 333.431 5.718 0 1 EKAF in-vivo C/C=C(\CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 14975021 NAKAGOOICRJDFB-QGMBQPNBSA-N 325.452 6.109 0 1 EKAF C[C@H]1[C@@H]2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc14 27900295 KOODECODLWKEAK-MRDSIPGCSA-N 344.502 5.255 0 1 EKAF O=C1c2ccccc2/C(=C/c2c[nH]c3ccccc23)c2sccc21 35080141 JCEXYLQPPRZRCA-WQRHYEAKSA-N 327.408 5.363 0 1 EKAF COc1ccc(-c2nc(-c3ccccc3)oc2NC2CCCCC2)cc1 36381621 VGIPQKAGKICDMP-UHFFFAOYSA-N 348.446 5.762 0 1 EKAF CCCCN1C(=O)N(c2ccc(C)cc2)C2(CCCCC2)C1=S 95872984 CLBBUKJOVAPGIS-UHFFFAOYSA-N 330.497 5.067 0 1 EKAF c1csc(CCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)c1 100753516 MVZQFWPPZDOLHW-FOIQADDNSA-N 336.504 5.314 0 1 EKAF c1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)nc1 169310271 XWILTRCLQISZDK-UHFFFAOYSA-N 345.490 5.334 0 1 EKAF CCCCC/C=C\C/C=C\CCCC/C=C\CCCCCC(=O)O 169622227 GUHKSOUIJGCNGR-URZBRJKDSA-N 334.544 7.221 0 1 EKAF CCCCC/C=C/C/C=C/C/C=C\CCCCCCCCC(=O)O 198625480 RILVNGKQIULBOQ-RNCOHGIQSA-N 334.544 7.221 0 1 EKAF Fc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587144829 CHNMDFFRRNNKTE-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587152632 BJNLPOFXMHRCAV-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCCC3 587206134 ARNHLMCYVYAMFN-UHFFFAOYSA-N 341.454 5.885 0 1 EKAF O=C(c1cccc(Oc2ccccc2)c1)c1coc2ccc(Cl)cc12 587278194 ILLWEGAYJJBFHB-UHFFFAOYSA-N 348.785 6.110 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccs1)O2 587412286 IPKHGJHDHLNFFJ-GOSISDBHSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)c2c(C)cccc21 587483726 RTHAFJAEFFEUPT-PEBXRYMYSA-N 336.431 5.021 0 1 EKAF C[C@H]1c2ccccc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524192 LABNZXWJSGRGRH-NPMXOYFQSA-N 332.443 5.019 0 1 EKAF COc1cc(OC)cc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587920273 GZGBTBCVCCSVQL-UHFFFAOYSA-N 331.824 5.148 0 1 EKAF CCc1ccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587937624 QHILOIVSYBKMNS-QFIPXVFZSA-N 342.442 5.314 0 1 EKAF Cc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587951326 YMUQWOVFVJEXCL-WYMLVPIESA-N 326.399 5.834 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc3nc(C)ccc3c2[nH]1 587951887 JJYTYFBOAQOSJA-OHNRDTAOSA-N 337.467 5.466 0 1 EKAF CC(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961097 IUXIITRZPKDAAX-UHFFFAOYSA-N 326.399 5.023 0 1 EKAF Cc1nc(/C=C/c2ccccc2)cc(N[C@@H]2CCCc3ccccc32)n1 653767521 WACQUQYJCDPNAT-JXVRESAISA-N 341.458 5.445 0 1 EKAF Cc1ccc(F)c([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c1F 962659153 FTPIGKAEJNQNMJ-QHCPKHFHSA-N 349.424 5.349 0 1 EKAF C[C@H](Cc1ccccc1)[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962660215 HNZRGLKVCPUNBF-KBMIEXCESA-N 341.498 5.593 0 1 EKAF CCCN1[C@H](c2ccccc2C2CCCCC2)c2ccccc2C[C@H]1C 963241747 NXTPYNVKHXSTHP-CLOONOSVSA-N 347.546 6.480 0 1 EKAF O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccsc1 1772600184 PYIVNRPZUANMMZ-UHFFFAOYSA-N 336.441 5.277 0 1 EKAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)cc(CCc5ccccc5)c4[C@@H]1[C@@H]23 1857635388 HEHNRIJVSOOMII-ZZSVKSCCSA-N 348.486 5.478 0 1 EKAF Oc1nc2ccccc2c2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 1911576926 GFENCDBVWUDAJP-UHFFFAOYSA-N 336.394 5.756 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C)(CC=C(C)C1)CC[C@]2(O)C(C)C 2356441533 WHLNVYDYKOZJJL-YSFYHYPLSA-N 348.527 5.188 0 1 EKAF O=C(O)[C@@H](CC=CCCCCCCCC[C@@H]1C=CCC1)CCCO 2356776580 YEAXILKLGNDILA-UXHICEINSA-N 336.516 5.493 0 1 EKAF C[C@@]1(Oc2cccc(F)c2)CCN(Cc2ccc3ccccc3c2)C1 61902975 WLIHGYRAYCAZCP-JOCHJYFZSA-N 335.422 5.022 0 3 EKAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 2483332 UHVNZMLCLZIICF-UHFFFAOYSA-N 342.483 5.292 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Cl)cc1-3 13490451 JAPBAKGEKZXGRM-UHFFFAOYSA-N 329.802 5.646 0 1 EKAF CO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45367029 AHBQLGGDXGWTBF-CVEARBPZSA-N 338.904 5.263 0 1 EKAF Cc1ccc(C)c(-c2oc(C(=O)Nc3c(C)cccc3C)cc2C)c1 72183492 JHPJKQZPLHLCPD-UHFFFAOYSA-N 333.431 5.741 0 1 EKAF COc1ccc(-c2cc(-c3c(Cl)c4ccccc4n3C)no2)cc1 95559703 JALWPUQYBDFZHY-UHFFFAOYSA-N 338.794 5.162 0 1 EKAF C[C@@H]1[C@@H]2C3=CC=CC[C@@H]3[C@H](Cc3ccccc32)N1Cc1ccccc1 102065521 SKBKTLSGMGFWIT-WEKBHZFBSA-N 327.471 5.102 0 1 EKAF CCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 103277926 INPUMBUYIWRZSK-LJQANCHMSA-N 343.417 5.606 0 1 EKAF C[C@@H]1CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C 263614325 GVFFAMRIFGYUEO-SRMDAPNLSA-N 344.627 7.718 0 1 EKAF in-vitro Oc1c(-c2ccccc2)cccc1-c1nc2cc3ccccc3cc2[nH]1 586896645 GWCFEOJHJQZBRD-UHFFFAOYSA-N 336.394 5.756 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(F)c2[nH]1 587061984 NCZZONAYRMLLPJ-CYBMUJFWSA-N 339.197 5.539 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1ccn3CC)CC2=O 587476137 POKVOSKNUYVBON-NRFANRHFSA-N 349.430 5.026 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](CC(C)C)C1)CC2=O 587477545 CVCSYHYFASHKQB-BTYIYWSLSA-N 330.468 5.285 0 1 EKAF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587631039 VJJVACJEOVRFBP-UHFFFAOYSA-N 349.764 5.174 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc([C@H](C)CC)cc12 587639809 CZCHISSUSXNNMV-GFCCVEGCSA-N 346.301 7.218 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3nc4c(Cl)cccc4s3)n1)O2 587876853 UUCGBDYYFMFPBE-UHFFFAOYSA-N 343.770 5.047 0 1 EKAF Fc1ccc(Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 1857566701 SVINTCZZJZZIRE-UHFFFAOYSA-N 340.210 5.395 0 1 EKAF Brc1ccccc1Oc1ccc(Nc2ccccc2)cc1 1857639728 YNQGNOUAHATYOI-UHFFFAOYSA-N 340.220 5.985 0 1 EKAF c1ccc(Oc2cccc(Nc3ncc(-c4ccccc4)o3)c2)cc1 13611259 JTIZQZSOCSALNJ-UHFFFAOYSA-N 328.371 5.878 0 1 EKAF in-vivo CC[C@@]1(c2cccc(Cl)c2)Oc2ccccc2-n2cccc2C1=O 13675297 KOADPFCSOUEJBY-FQEVSTJZSA-N 337.806 5.011 0 1 EKAF Clc1ccc(O[C@@H](Cn2ccnc2)c2ccc3ccccc3c2)cc1 27842805 GTWLSVWMQWAHNY-NRFANRHFSA-N 348.833 5.510 0 1 EKAF O=C(O)c1ccc2c(c1)cc(-c1ccc(O)cc1)n2C1CCCCC1 28122264 TZVYSDSTHJAION-UHFFFAOYSA-N 335.403 5.217 0 1 EKAF CC(C)C[C@H](c1cccc(O)c1)[C@H](CC(C)C)c1cccc(O)c1 28223279 ODHGVCQLDXSHQR-FGZHOGPDSA-N 326.480 6.057 0 1 EKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)NCCO 33820589 IGERBKTWMBMXMC-PDBXOOCHSA-N 349.559 5.465 0 1 EKAF O[C@H]1c2ccccc2C[C@]1(Cc1ccccc1)C1=Cc2ccccc2C1 34007672 MKQLRHOJRHPAHP-LOSJGSFVSA-N 338.450 5.145 0 1 EKAF c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4ccccc4c3)C2)cc1 35942081 WCVWWGMNEYDXSB-VWLOTQADSA-N 348.449 6.196 0 1 EKAF CC1(C)C(C(=O)c2cn(CCc3ccccn3)c3ccccc23)C1(C)C 45319322 BRJKUDRVPYJFBW-UHFFFAOYSA-N 346.474 5.144 0 1 EKAF CCC(CC)c1nc(C)n2nc(-c3ccc(OC)cc3C)c(C)cc12 73224554 CMUDFLWRNRSEFS-UHFFFAOYSA-N 337.467 5.234 0 1 EKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2)o1 82162534 NPTUOYGNLSVUPR-RDTXWAMCSA-N 348.450 5.098 0 1 EKAF CCCC[C@H](CC)Cc1cc(O)c(C[C@H](CC)CCCC)cc1O 84400816 KLPWVZKDLHTFNQ-HDICACEKSA-N 334.544 6.616 0 1 EKAF CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@H]12 137290061 RINKJBMSKXPWBE-LLZKTCIHSA-N 344.495 5.340 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1OCC 214815018 XSIAOZFKVSFRDD-UHFFFAOYSA-N 343.423 5.414 0 1 EKAF CC(C)=CCC[C@H](C)/C=C/c1c(O)c(C)cc2c1[nH]c1ccccc12 238757815 AFFKSIAKZKNCNU-DBTPVHCXSA-N 333.475 6.731 0 1 EKAF Cc1cc(C)c2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2c1 587012349 QUMDKFLRXNIKMC-UHFFFAOYSA-N 333.460 5.202 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(SC)cc2[nH]1 587062435 SOVPELUMMHHFHE-OAHLLOKOSA-N 332.856 5.468 0 1 EKAF Cc1ccc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587146819 XQHNXUSEWXEGBH-FPLPWBNLSA-N 336.288 5.079 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158032 HGZPXCZASIDOSJ-UHFFFAOYSA-N 330.362 5.157 0 1 EKAF c1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587214641 UHQFMSYBOXKNJG-UHFFFAOYSA-N 337.422 5.579 0 1 EKAF C[C@@]1(c2c[nH]c3cc(F)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587502384 CCZCFTCLLRZYSB-QFIPXVFZSA-N 349.405 5.066 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccnc3)c2c1 587640651 HRUUDJDKBPTELN-NSHDSACASA-N 346.352 5.326 0 1 EKAF Cc1ccc(-c2ccc([C@@]3(C)NCCc4ccc(F)c(C)c43)cc2)cc1 962085887 AYVIHNODEXKMPJ-XMMPIXPASA-N 345.461 5.519 0 1 EKAF Clc1cccc(-c2cc(-c3ccoc3)c3oc4ccccc4c3n2)c1 1772602733 WOTZKWABYWALCP-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF CC1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N=N1 1857538834 XFRVTPWXXZOYFP-FLIUJYPFSA-N 328.500 5.108 0 1 EKAF COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3CC(C)(C)CC[C@]31C)O2 2356519776 OTQYXSRTAPOZDP-VHHKXPHXSA-N 328.496 5.631 0 1 EKAF CCCCc1c(Cc2ccccc2)ncn1CCc1ccccc1OC 95565787 QVFDMGKBDPQMCM-UHFFFAOYSA-N 348.490 5.068 0 3 EKAF CC(C)c1ccc(C[C@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 27526885 ZEMPFWJPDQMVKE-HXUWFJFHSA-N 330.855 5.340 0 1 EKAF CCCCc1ccc(CSc2oc3ccccc3c(=O)c2C)cc1 28710954 WIAJNPHBMPWVCS-UHFFFAOYSA-N 338.472 5.736 0 1 EKAF O=C(O)c1ccc(NCCCCCCc2ccc(Cl)cc2)cc1 29203492 GUPZZHQCJPPXRO-UHFFFAOYSA-N 331.843 5.253 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)CC[C@H]2[C@H]1[C@@H]4C2(C)C 85850279 YNDNDGLKKJXJED-JSXJTULDSA-N 331.459 5.930 0 1 EKAF in-man CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(COC)C[C@@H]21 169332996 KWROVFREJOXJRE-QZTJIDSGSA-N 344.495 5.362 0 1 EKAF Fc1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1Br 586881338 TYMYXESNVDOADV-UHFFFAOYSA-N 345.215 5.399 0 1 EKAF Clc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2nc1Cl 587026221 SPVHSJBCHPJYSY-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3ccccc3cc2[nH]1 587027020 LWPCJYIPSMLJMH-UHFFFAOYSA-N 345.427 5.332 0 1 EKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)nc2cccc3c2c1CC3 587210019 AUXAFBWZEZOHOP-UHFFFAOYSA-N 341.376 6.143 0 1 EKAF CCCCC(CCCC)[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489265 OAILXNKFSIJSAC-FQEVSTJZSA-N 332.484 5.675 0 1 EKAF Cc1ccc2oc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587529726 CVSFLEGMKICLKE-NRFANRHFSA-N 332.399 5.327 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(CCOC)c(-c3cccc(F)c3)c2c1 587643012 QUOTXFCMZIEROW-AWEZNQCLSA-N 325.427 5.676 0 1 EKAF Cc1ccc(C(C)C)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587944769 HDPRFUBODWNRDX-LJQANCHMSA-N 325.427 5.874 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1C 587959544 OWMQOLWACGJNQQ-UHFFFAOYSA-N 326.443 5.746 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)cc(-c3cccc(Cl)c3)n2)c1 653739027 MGNYAHBGWWBJHS-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCC(C)(C)[C@@]1(c2cccc(C)c2)NCCc2cc(C)c(F)cc21 962142004 CSZRVVCHDGFZQZ-QFIPXVFZSA-N 325.471 5.268 0 1 EKAF O=C(C[C@@H](C(=O)c1cccs1)c1cccs1)c1ccsc1 1636189 QGRCLWKDGPDJCL-GFCCVEGCSA-N 332.471 5.111 0 1 EKAF CC(C)CCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 13310894 UGCGHTUESPPJKX-UHFFFAOYSA-N 347.587 7.487 0 1 EKAF biogenic Cc1cnc2ccccc2c1NCCCCCCN1CCCCC1 13472665 DDWXFEAPUBSMTJ-UHFFFAOYSA-N 325.500 5.001 0 1 EKAF CC(C)C[C@H](c1ccc(O)cc1)[C@@H](CC(C)C)c1ccc(O)cc1 29407995 ZVMONCCEUUJVEQ-SZPZYZBQSA-N 326.480 6.057 0 1 EKAF CN1CC(C)(C)c2cc(C(=O)CCCC3CC3)cc(C(C)(C)C)c21 39027657 CQENBNSZTMDOKQ-UHFFFAOYSA-N 327.512 5.475 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccccc3F)C2)c1 40975531 PXROHQYSCPVWBO-OAQYLSRUSA-N 349.430 5.889 0 1 EKAF CCCSc1nc2nc3c(c(N)c2s1)[C@@H]1CC(CC)=C[C@@H](C3)C1 100092974 WFTCUZBQYUOPNQ-VXGBXAGGSA-N 345.537 5.162 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587050563 PESUKCCTDDBRID-UHFFFAOYSA-N 342.229 5.636 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cnc(Cl)cc2[nH]1 587065961 ATNICGLBRDZYJU-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF CNc1cc(Cl)ccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587066517 LSQOCCNMSIPIIE-UHFFFAOYSA-N 349.821 5.717 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ccc(Br)cc3F)[nH]c12 587142482 CBKWIJKRYFATNE-UHFFFAOYSA-N 347.231 5.429 0 1 EKAF Cc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587208728 YDDVVVAIMONWIE-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccccc1)CC2=O 587486260 XJRVNZGNNXSWOS-AVRDEDQJSA-N 336.431 5.016 0 1 EKAF COc1ccc(Cl)cc1-c1[nH]c2c(C(=O)O)cccc2c1C(C)C 587638033 IIGNOIXCWABDFY-UHFFFAOYSA-N 343.810 5.319 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)c(F)c3)c(C)c2c1 587642766 VKRHAZHYSMUWTP-NSHDSACASA-N 349.371 6.815 0 1 EKAF CC(C)(C)Oc1ccc(O)n1CCCc1ccc(Cl)c(Cl)c1 587943022 IKTGNWCCESRBHP-UHFFFAOYSA-N 342.266 5.311 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC)c(Cl)cc2[nH]1 587950724 CGPCVGQQDHCSJJ-OZVIIMIRSA-N 336.863 5.271 0 1 EKAF C/C(=C/c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCCCC1 587967903 NLIFOVRTSFVIEM-ICFOKQHNSA-N 346.474 6.126 0 1 EKAF C[C@@H]1CCCC(C)(C)[C@@]12c1ccsc1CCN2Cc1cccn1C 962369344 CXYRNNHHSDQIBL-IERDGZPVSA-N 342.552 5.186 0 1 EKAF CC[C@H](OC(=O)c1ccccc1)C(C)(C)C=C[C@@H]1CC=C(C)C1(C)C 2356873267 YFVLNVDXVHNQCT-PMACEKPBSA-N 340.507 6.197 0 1 EKAF CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1 2006542 LXAHMIPDFRFUIQ-UHFFFAOYSA-N 340.430 5.166 0 1 EKAF O=C(Nc1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1 6475742 JHOUWBJZPMWXIQ-UHFFFAOYSA-N 339.847 5.744 0 1 EKAF Oc1ccc(C(=C2CCC[C@@H](CCCF)C2)c2ccc(O)cc2)cc1 13685685 KGHFEDXCHFONJK-INIZCTEOSA-N 340.438 5.840 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26161144 FSRTVMCHXYGCQF-AJYQEWAOSA-N 326.480 5.032 0 1 EKAF CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C/CCCCCC(=O)O 26578694 JALSVOZEVSMDLQ-IVDYVDDZSA-N 348.527 5.968 0 1 EKAF CCc1nc(NC(CC)CC)c(CC)nc1Nc1ccc(Cl)cc1 28956171 LJBCWDXTKWTFCE-UHFFFAOYSA-N 346.906 5.599 0 1 EKAF CCCNc1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 29037821 ZNMBYKRMGTUSJP-UHFFFAOYSA-N 334.463 5.658 0 1 EKAF c1ccc([C@H]2C[C@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71295432 WEFIEUNJRSOGIZ-LEWJYISDSA-N 326.399 5.150 0 1 EKAF CC(C)(C)c1ccc(OC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 95593529 FOHZDTKASOAAHR-UHFFFAOYSA-N 348.446 5.023 0 1 EKAF O=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 196123664 RMNWFEDARMGMKG-QGZVFWFLSA-N 331.440 5.634 0 1 EKAF c1ccc2cc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3cc2c1 587023538 LFJDDAZDGRYNHJ-UHFFFAOYSA-N 327.412 5.507 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C)c(C)c2[nH]1 587074640 YZLGNNWRBOQLAQ-UHFFFAOYSA-N 346.861 6.476 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085092 NWKBPIWEADSFOU-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF CSc1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165322 QGRRDVNZBPCDDD-UHFFFAOYSA-N 340.448 5.819 0 1 EKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587242614 XLQWTOHTTXYHRC-UHFFFAOYSA-N 349.478 5.512 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(C)C)(c1ccccc1)O2 587404706 YZLIJZNZXRKRHU-QFIPXVFZSA-N 337.463 5.264 0 1 EKAF O=C1C[C@@H](c2c(Cl)ccc(F)c2F)Oc2c1ccc1c2CCCC1 587504257 IFGNSVHCFFKMAJ-INIZCTEOSA-N 348.776 5.204 0 1 EKAF Cc1cc(Cl)cc2c(O)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587624224 GIIRBMQHUCLSKV-UHFFFAOYSA-N 325.717 5.521 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(OC(C)=O)c2c1 587640960 HNYZCSZELIIRKT-LLVKDONJSA-N 343.373 5.552 0 1 EKAF Oc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949269 DOCSDIUIBMCICF-JLHYYAGUSA-N 328.371 5.231 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@H]3COC(C)(C)O3)CC[C@]21C 2356481715 ZGIVIADXUJJMPO-ISQNHNHQSA-N 346.555 6.107 0 1 EKAF CC/C=C(\C)[C@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 14770939 COQVDOXGJFWFLT-MMTSNFQXSA-N 342.479 5.402 0 1 EKAF CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1ccc(C)cc1 29551564 PAYWHODFRGOUNI-UHFFFAOYSA-N 337.444 5.149 0 1 EKAF ClC1(Cl)[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 44005538 XYWBEFGHECGBKG-LJQANCHMSA-N 339.265 5.944 0 1 EKAF FC(F)(F)c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 72175456 RNWXSBSLFCBSJV-UHFFFAOYSA-N 341.336 5.347 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1 103061658 NURLUZSESLQRGG-ZIAGYGMSSA-N 336.866 5.964 0 1 EKAF C/C=C\COc1cccc2c1-c1cccc3c1[C@H](C2)N(CCC)CC3 209433651 VRGMZUXQIPKQOS-BOYDRYHPSA-N 333.475 5.174 0 1 EKAF in-vitro COc1ccc(/C=C/CCO[C@@]2(C)CC[C@]3(C(C)C)C[C@H]23)cc1OC 238770227 RNAXNNLWEJACQM-ONNDYTMFSA-N 344.495 5.339 0 1 EKAF c1csc(-c2ccc(-c3ncncc3-c3ccsc3)s2)c1 299864668 RTHMHBUGGQSTAP-UHFFFAOYSA-N 326.471 5.662 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1cccc(Cl)c1 473248618 PDVZQETVJREPKK-UHFFFAOYSA-N 328.843 5.111 0 1 EKAF Cc1cc(Cl)cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586898685 KWXOCRIQXNIAAG-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF CCc1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 587067205 YQYYNWMCAIVRBB-UHFFFAOYSA-N 328.843 5.099 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(F)c3)nc3cccc1c23 587103172 GDKRZKHRTZSAKN-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF Cc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1C 587162489 BTJSEEHFOLGFJU-SFQUDFHCSA-N 348.446 5.969 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 587171706 RIVWAOSPZUUZCF-CYBMUJFWSA-N 342.483 5.895 0 1 EKAF CCc1ccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cc1 587208174 QUXHQBRIGVJVQU-UHFFFAOYSA-N 349.433 5.599 0 1 EKAF CC(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1 587633636 IJRUJBMEDDNJRN-UHFFFAOYSA-N 349.327 5.680 0 1 EKAF CC/C(=C/c1nc2cc(OC)c(Cl)cc2[nH]1)c1ccc(C)cc1 587966487 IECWLGFXUSWPSW-LCYFTJDESA-N 326.827 5.484 0 1 EKAF CCCN1[C@H](c2c(F)cc(Cl)cc2F)c2ccccc2C[C@H]1C 963231359 QPAKHZZXDKHKOU-BLVKFPJESA-N 335.825 5.364 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 13302346 XWVGMPJQSWKTJV-FKBYEOEOSA-N 344.495 5.089 0 1 EKAF biogenic CCC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671478 DLNYBTQCUMZHIJ-OIELIUQCSA-N 332.528 5.129 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40689003 SOAIWELMVRCOAD-IBJRBIBPSA-N 346.511 5.252 0 1 EKAF Oc1c(Cc2ccccc2)ccc2c1[nH]c1cc(Cl)c(Cl)cc12 64560150 KPGQCUGJRGDYSE-UHFFFAOYSA-N 342.225 5.924 0 1 EKAF CCCCCC[C@@H](C)CCCCCCCCCCCC[C@H](O)CO 102186338 HVCZYABNQXPMMX-YADHBBJMSA-N 342.608 6.627 0 1 EKAF CCCCC[C@H](CC)OC(=O)COc1ccc(Cl)cc1Cl 103168433 MHTYVHINCPMTEW-ZDUSSCGKSA-N 333.255 5.274 0 1 EKAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3ccccc3)cc2)C1 147090261 QSQIWZNULQSKFZ-XJABCFGWSA-N 348.490 5.059 0 1 EKAF c1ccc(Nc2ccc(Oc3ncccc3C3CCCC3)cc2)nc1 148324220 NSUFIEDRLXRAPK-UHFFFAOYSA-N 331.419 5.670 0 1 EKAF C[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 169622225 IXAMNXQQWDOFMN-CDGNGFBJSA-N 344.495 5.520 0 1 EKAF in-vitro COC(=O)CCCC/C=C\C/C=C\CCCCCCCC(=O)OC 238747824 BJEPALDWQRJLJD-DDYVKQNKSA-N 338.488 5.126 0 1 EKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2Cc2cc3ccccc3n21 238781078 FTYDACQRNQFAGR-XLGPZGCCSA-N 337.507 5.126 0 1 EKAF CCc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587068641 DFDWAOMCSCKFIC-GFCCVEGCSA-N 326.827 5.155 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)n1 587080249 ODKCXWFTMBFGAT-LLVKDONJSA-N 330.863 5.348 0 1 EKAF Cc1ccc(O[C@@H](C)C(=O)c2coc3ccc(Cl)cc23)c(C)c1 587276171 MBZYZDJEBJZKMR-ZDUSSCGKSA-N 328.795 5.353 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccs3)cc1)O2 587412701 KCTOTKQPGJNIGC-GOSISDBHSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C(C)(C)C)CC2=O 587486214 XCRHOZDQABXCOP-WIYYLYMNSA-N 330.468 5.285 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(CC)cc1)CC2=O 587488629 JIVLDYRBDQFRHB-JOCHJYFZSA-N 338.447 5.178 0 1 EKAF Cc1cc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499414 IVRCMHFKVHBKNM-IBGZPJMESA-N 326.823 5.234 0 1 EKAF CC(C)C[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533546 WWUZDKRILJCEDU-NRFANRHFSA-N 340.488 5.534 0 1 EKAF Cc1nc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2s1 587536650 YNGYMVLLMWJUNF-LJQANCHMSA-N 349.455 5.190 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1F 587922135 ITNUEWLCOUYRGL-UHFFFAOYSA-N 335.350 5.293 0 1 EKAF COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1 102868226 NINITLSHUAPIHQ-GJZGRUSLSA-N 332.447 5.320 0 3 EKAF CC[C@@H](C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O 13765070 ZPGQGOBFLQNSNU-MRXNPFEDSA-N 344.458 5.089 0 1 EKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1cc(C)ccc1OC 26652748 LJIKLQFHIKGZKA-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF c1ccc(CCCN[C@@H]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 26828895 DLHHIMFCIUQZER-NOZRDPDXSA-N 341.498 5.356 0 1 EKAF CC/C=C\C=C/[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27643279 CSXQXWHAGLIFIH-XSGGRNSSSA-N 344.495 5.520 0 1 EKAF in-man Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 27708070 HPZDJXIFUWJBKT-UHFFFAOYSA-N 336.866 5.770 0 1 EKAF Clc1ccc([C@H]2C[C@H](N3CCCCC3)c3ccccc32)cc1Cl 29487719 QFYBAQPQINYSLW-XLIONFOSSA-N 346.301 6.056 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccon1 253856474 ZHAAOWWJHBCHFK-VFKRBHBSSA-N 341.495 5.082 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 586898246 NNEIEIAFOHTQED-UHFFFAOYSA-N 340.426 5.481 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587050093 MSOLGLDYMMHNIB-UHFFFAOYSA-N 342.229 5.636 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2n1 587085620 XCPSDUWQATVTLA-UHFFFAOYSA-N 336.826 5.124 0 1 EKAF Cc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123607 FBGNPFXEDVFJJJ-WEVVVXLNSA-N 334.366 5.654 0 1 EKAF Cc1ccc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587405100 JKYWBBPURIBSOS-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF O=C1C[C@@]2(CCc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587499934 OCRMAYAPOFQERQ-OAQYLSRUSA-N 338.834 5.026 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)o1 587630265 XDPRUORJJBZXDL-UHFFFAOYSA-N 345.679 5.112 0 1 EKAF CCCCc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632561 JXNAQCUJABZJSK-UHFFFAOYSA-N 346.243 6.079 0 1 EKAF CC(C)(C)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587969935 CEYAGUQEPZLIDO-UHFFFAOYSA-N 346.474 5.290 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(Cc2ccccc2)[nH]1 963245091 ZDTWYMYSLJREAR-UUOWRZLLSA-N 344.502 5.352 0 1 EKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)CC(=O)O 2356317649 IZELUAUTIWSVHY-KRWDZBQOSA-N 344.451 5.623 0 1 EKAF C[C@@H]1CC=C[C@](C)([C@@H]2CCC[C@H](Cc3cc(O)cc(CCO)c3)C2)C1 2356778784 DMKKXGUPBVXGNO-PGCKSFNISA-N 342.523 5.268 0 1 EKAF Cc1cc(C)c([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c(C)c1 61903881 IAQDOSCDNAULRQ-QFIPXVFZSA-N 342.442 5.237 0 3 EKAF CC(=O)O[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 2049044 BQPVGKNJJQUGFW-WKHOWWIJSA-N 344.539 5.763 0 1 EKAF biogenic c1ccc(-c2cnc(Nc3ccc4c(-c5cnco5)c[nH]c4c3)o2)cc1 12354258 ZQJWHQAKYGJXDT-UHFFFAOYSA-N 342.358 5.222 0 1 EKAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@@]12C 13550920 TWPKVIVCLJTFPY-RZXSNQJFSA-N 334.500 5.040 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccc(N)c1 13814222 LCJUYXQAMPPVLP-UHFFFAOYSA-N 341.410 5.326 0 1 EKAF aggregator Cc1ccc(F)c([C@@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)c1 13829813 JWYBGPLSVSRAES-XKCSPQBFSA-N 349.449 5.190 0 1 EKAF CN1CC=C(C2=C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 13833073 YZVNDQNRVZGAEI-LJQANCHMSA-N 339.841 5.270 0 1 EKAF CN1CCC2(CC1)S[C@H](c1ccccc1Cl)c1ccccc12 27876241 OQUABUJYMPEQKD-SFHVURJKSA-N 329.896 5.097 0 1 EKAF CCc1ncnc(N[C@H](C)c2sc3ccccc3c2C)c1Cl 28887636 YPHINIOBFXDVIR-LLVKDONJSA-N 331.872 5.389 0 1 EKAF CC(C)Cc1cn(-c2cccc(C(=O)O)c2)c2cc(Cl)ccc12 29044540 RXNPIMBRYZPBQS-UHFFFAOYSA-N 327.811 5.181 0 1 EKAF CC(C)CN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1 29567845 QTFWAEIJPISIIW-UHFFFAOYSA-N 332.447 5.213 0 1 EKAF FC(F)(F)Oc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 49034682 HYROERCMJOQQRV-WBAXXEDZSA-N 349.352 5.220 0 1 EKAF CC[C@@H]1C[C@@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 103178578 RMJYIGSZMFOADY-ZUOKHONESA-N 342.870 5.552 0 1 EKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(O)ccc4[nH]3)c21 587031477 RYTQZOYRQNCMMB-GFCCVEGCSA-N 349.459 5.228 0 1 EKAF CCc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151327 XDNAIFIVXIYJJT-OAQYLSRUSA-N 345.421 5.466 0 1 EKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153328 YLGJLMYMQVXETC-QWHCGFSZSA-N 326.390 5.410 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3nccc(Cl)c3[nH]2)cc1 587164484 SATRABAGTMLRSH-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF CCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)c(OCCC)c1 587211043 BIKQUWBFYPYHKB-UHFFFAOYSA-N 347.458 5.578 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CCC(C)C)CC2=O 587477377 BZGUEJNXVOSEHH-YCRPNKLZSA-N 330.468 5.285 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)C1CCCCC1)CC2=O 587491790 ZLDXLWYGBNIISO-LHSJRXKWSA-N 330.468 5.285 0 1 EKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632976 UENDXSCDULBDPW-UHFFFAOYSA-N 332.216 5.689 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587957053 YURCXXRHWCWVST-SFHVURJKSA-N 330.406 5.385 0 1 EKAF Oc1ccccc1-c1cc(-c2cccnc2)nc2c1Cc1ccccc1-2 1772635311 GBQOKVAISBUXGF-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC(=O)OC(C)(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 2356439968 JDYQUVYFBYLQIM-JQVVWYNYSA-N 330.512 5.827 0 1 EKAF CC(C)c1ccc2[nH]c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c2c1 28118687 NKZRUZUSLYDMTQ-UHFFFAOYSA-N 347.524 5.835 0 1 EKAF CCn1c2ccncc2c2cc(NC(=O)c3ccccc3Cl)ccc21 40881428 KTGUQWICDSZKDX-UHFFFAOYSA-N 349.821 5.115 0 1 EKAF CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12 45391277 MYHZRLXXLQZZEF-UHFFFAOYSA-N 338.263 5.311 0 1 EKAF COc1ccc(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2o1 84730800 SVOROBCFGUGGLO-UHFFFAOYSA-N 328.582 5.464 0 1 EKAF O=C(c1ccc(Cl)c(Cl)c1)c1coc2ccc(Cl)cc12 587278685 RCKWOPMKPUJZRN-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc([C@@H](C)CC)cc12 587643613 VNLFFQXBHZQCKY-UONOGXRCSA-N 344.499 5.830 0 1 EKAF CC(C)(C)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2n1 587962170 UNIMLPURTFVCOJ-UHFFFAOYSA-N 341.458 5.513 0 1 EKAF Cc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1 1857772893 YOEMJSNSTGLJSV-UHFFFAOYSA-N 344.845 6.234 0 1 EKAF CCN(CC)Cc1ccc(C(=S)Nc2ccc(Cl)cc2)s1 6382514 NWZPZSSWIYOYPX-UHFFFAOYSA-N 338.929 5.031 0 1 EKAF CC(C)=C/C=C/[C@@]1(C)CCc2c(cc(C)c(CC=C(C)C)c2O)O1 13403749 ORUDNNWDGASPOM-CGIBVWHJSA-N 326.480 5.815 0 1 EKAF biogenic,in-vitro CCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756309 PFMMKGGPOLDMEE-NQXMTYSDSA-N 344.583 6.507 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@]1(C)CCCC(C)(C)[C@H]1CC2 14695578 GOFVGQQVAVJCMR-IRLDBZIGSA-N 328.496 5.766 0 1 EKAF biogenic O=C(Nc1cccc(C(F)(F)F)c1F)NC1CCCCCCC1 72113257 BLWMUNNMBMWCKD-UHFFFAOYSA-N 332.341 5.079 0 1 EKAF CC(C)(C)c1ccc([C@@H](CF)NCc2cccc3ccccc23)cc1 96930062 GMOSMMARRWVBGN-JOCHJYFZSA-N 335.466 5.938 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2O1 102901103 WPQHMJJUKITZNQ-PMACEKPBSA-N 332.447 5.111 0 1 EKAF Clc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586888032 VYOSEANHIMSJLF-KPZWWZAWSA-N 329.230 5.241 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(F)c(F)c4[nH]3)c(C)s2)cc1 587013846 ZMIAUIBXEQJGTE-UHFFFAOYSA-N 341.386 5.248 0 1 EKAF COc1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048227 GJZSKVLAOLGPLK-ZJUUUORDSA-N 333.218 5.149 0 1 EKAF CCC(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349656 CNJQHWGAPIGORL-RXVVDRJESA-N 342.410 5.085 0 1 EKAF O=C1C[C@](c2ccccn2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587514045 FVZKCPSFOPQLCZ-HSZRJFAPSA-N 347.458 5.011 0 1 EKAF CCC(CC)(CC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820021 NVGKGWLHRQQIOI-BDJLRTHQSA-N 342.296 5.380 0 1 EKAF Cc1cnc(Cl)c2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc12 587952130 YTKIBDRBKZSIPS-LBPRGKRZSA-N 337.810 5.213 0 1 EKAF CCc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(F)c1F 963110217 PKPUCBBOIIFKRP-KRWDZBQOSA-N 342.216 5.069 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12C=C[C@@](C)(c1ccccc1)CC2 963240558 KOONRNIJGMHFQY-NIJXNBFTSA-N 345.530 5.846 0 1 EKAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857623201 LTDMCKMWCXEYTN-LDYABCQYSA-N 330.512 5.049 0 1 EKAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@H]12 2356713700 PHXLGDRTLPKSHN-PIWWGZGFSA-N 344.495 5.341 0 1 EKAF CCCCCC=CCC=CC=COC=CC=CCCCC(=O)OC 2356756597 SRLBPADQPSYXOB-UHFFFAOYSA-N 332.484 6.013 0 1 EKAF COc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1 1629470 ZQOXRHOAQLZARW-UHFFFAOYSA-N 333.416 5.111 0 1 EKAF COc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 3832083 ZNZIDJUUECFWDP-UHFFFAOYSA-N 344.389 5.558 0 1 EKAF CC1=C[C@@H]2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)[C@H]2CC1 14649976 DYHMKBLKWFFFSZ-PMACEKPBSA-N 348.486 5.788 0 1 EKAF biogenic CC[C@H](C)c1ccc(N2CCN=C2Nc2cccc([C@@H](C)CC)c2)cc1 26819288 FYFHYQJTBQKHON-ROUUACIJSA-N 349.522 6.002 0 1 EKAF CN(C)CCS[C@H]1Cc2ccccc2Oc2ccc(Cl)cc21 27554925 GZIMOUVKSHKRKL-SFHVURJKSA-N 333.884 5.024 0 1 EKAF CC(C)CCCCCCCCCOC(=O)CCCCCNC(=O)O 29041662 WYTWFPYXMBEBQI-UHFFFAOYSA-N 343.508 5.134 0 1 EKAF CC/C=C\C/C=C\[C@@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)OCC 34363622 FRYOLNYYHOUSQS-IBNMKKOLSA-N 346.511 5.442 0 1 EKAF CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 40393656 BEJKUIRPKMIZPE-QGZVFWFLSA-N 344.285 5.888 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H](C)c3ccoc3C[C@H]12 69482089 AJKLRWLLBORSIX-BEDYJXSPSA-N 344.495 5.341 0 1 EKAF biogenic,in-vitro CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC(C)=O 72107231 OXAKKZAHXVUJGY-OEBXLPCGSA-N 340.507 5.406 0 1 EKAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 84672333 DFXPIMWGGIKCJK-GMQQQROESA-N 344.539 5.993 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@@H]2CC[C@@H]1N2C 169330713 AOGDHAKOMBZIIJ-OQLXKQOESA-N 339.523 5.280 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C\CC[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 169340644 QPIUBKNTZMBLLI-HQSWKZPXSA-N 348.527 5.044 0 1 EKAF CC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169368124 BKJINAIBPPZCQQ-RKPLJGGNSA-N 348.527 5.354 0 1 EKAF c1ccc2cc(OCCOc3ccc(-n4cccc4)cc3)ccc2c1 473135288 HBSJICDCKKZCKQ-UHFFFAOYSA-N 329.399 5.088 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(SC)cc2[nH]1 587062434 SOVPELUMMHHFHE-HNNXBMFYSA-N 332.856 5.468 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1CC1CCCC1)-c1ccccc1C3=O 587100090 ZXIZQYBJMCDPMG-UHFFFAOYSA-N 341.454 5.796 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)[C@@H](C)CC4)-c1ccccc1C2=O 587100394 ISIBAGVQHHNNEW-JSGCOSHPSA-N 327.427 5.440 0 1 EKAF O=C1c2ccccc2-c2cc(-c3csc(Cl)c3)nc3cccc1c23 587209150 KYMBHSYQVURQBR-UHFFFAOYSA-N 347.826 5.828 0 1 EKAF Cc1[nH]c2ccc(F)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505538 IXPSXICCUYVMIK-FQEVSTJZSA-N 349.405 5.201 0 1 EKAF O=C1C[C@@H](c2ccc(-n3cccc3)cc2)Oc2c1ccc1c2CCCC1 587515328 KNCNARNJPQSAKJ-QFIPXVFZSA-N 343.426 5.063 0 1 EKAF Cc1ccc(CCC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587525430 PSGFRWYNEDXGCN-HXUWFJFHSA-N 348.486 5.539 0 1 EKAF CC/C=C\CCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527455 WHYMIIXLGGKMDC-DDKKJVIOSA-N 326.480 5.816 0 1 EKAF CCOc1ccc(OCC)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587778321 LTSBVSAZBWFIAH-UHFFFAOYSA-N 338.451 5.325 0 1 EKAF Cc1c(F)ccc2c1[C@H]([C@H]1CC3=C(CCCC3(C)C)C[C@H]1C)NCC2 962096713 ZJPSKTHEOOGNSY-GHNFSYLKSA-N 341.514 5.874 0 1 EKAF CCCCc1c(CCCC)c(OC(C)=O)c2ccccc2c1OC 5831778 IKTJJIKNMNUFRG-UHFFFAOYSA-N 328.452 5.459 0 1 EKAF FC(F)(F)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28219887 OGXVKPBGIGLUEO-UHFFFAOYSA-N 334.366 5.398 0 1 EKAF COc1cccc2[nH]cc(CCCCCCCCCCCCO)c12 28638444 FDJPBSOFNWSYCW-UHFFFAOYSA-N 331.500 5.612 0 1 EKAF COc1ccc([C@H](CC(=O)c2ccccc2)Sc2ccccc2)cc1 34649646 XKCWGSMQHCZQRK-QFIPXVFZSA-N 348.467 5.802 0 1 EKAF CC(C)c1ccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc2c1 35086911 IYMJGYGFRIAQHZ-UHFFFAOYSA-N 341.794 5.082 0 1 EKAF CCCN(CC1CC1)c1cc(Oc2cccc3ccccc23)ncn1 82067784 XXSHVIQPTHRMSI-UHFFFAOYSA-N 333.435 5.049 0 1 EKAF CCCCCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2 95588145 PLOUXGVSNIUAMA-BWAGFHJFSA-N 327.512 5.871 0 1 EKAF Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 104090784 UKPVVNSOKWZJRX-MRXNPFEDSA-N 341.842 5.222 0 1 EKAF CC(C)=CCC/C(C)=C\CC[C@@]1(C)CCc2cc(O)cc(C)c2O1 238789413 OJZATKPMGAGZGS-VBBNHBBTSA-N 328.496 6.257 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)C[C@H](C)C4)-c1ccccc1C2=O 587101553 VBWJDRZGJGDQNO-GXTWGEPZSA-N 327.427 5.440 0 1 EKAF Cc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)s1 587208526 SZVLIQISDCMDBZ-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2ccc([C@H](C)CC)cc12 587640902 GGTMPMJZTDZPGO-CYBMUJFWSA-N 339.410 5.664 0 1 EKAF Cc1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1C 587920769 MHNAGVBQUFTJBU-UHFFFAOYSA-N 347.842 5.798 0 1 EKAF CC[C@@H](C)Oc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1Cl 963024500 NPTDRKKFZAGQLS-ADLMAVQZSA-N 349.927 5.431 0 1 EKAF CCN(CC)c1ccc(NC(=O)c2cc(C)oc2-c2ccccc2)cc1 1857553831 VUGHPEOCIBTSND-UHFFFAOYSA-N 348.446 5.354 0 1 EKAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCO 2356397211 JIYJKMAEDVTOQW-SVFBPWRDSA-N 326.565 5.727 0 1 EKAF CCCC=Cc1oc(CCCCCCCCC(=O)OC)c(C)c1C 2356441961 KABWSHPOQRAYAB-UHFFFAOYSA-N 334.500 6.156 0 1 EKAF COC(=O)CCCCCCC[C@H](CCCCCCCCCO)OC 2356605805 SDLFWAMOOPXTNK-IBGZPJMESA-N 344.536 5.018 0 1 EKAF CN(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 1618962 LMJXPIAUXWCFLM-UHFFFAOYSA-N 339.523 5.644 0 1 EKAF CCC/C=C/C/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 14592783 IZGYQWUVUWZOPQ-NKEWZBFXSA-N 330.512 6.592 0 1 EKAF endogenous,in-man Fc1ccc([C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 27992399 MALCWMVQYCUXPR-IBGZPJMESA-N 338.426 6.091 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 72181521 ZWLVXRHTKNUQRZ-ZDUSSCGKSA-N 340.389 5.419 0 1 EKAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cc1OC 144977012 PYWZFZGKMVUVJC-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF CO[C@@H]1O[C@@H](OC)[C@H]2/C1=C\C/C=C(\C)CC[C@@H]2[C@@H](C)CCC=C(C)C 145417086 ZETHHMPKDUSZQQ-BOFFPQBCSA-N 348.527 5.633 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@H]12 238787100 RTHBKQKTWBMPLC-LWODCIKUSA-N 344.495 5.340 0 1 EKAF CSc1ccc([C@@H]2CN3CCC[C@H]3c3ccc(Cl)cc32)cc1 261122517 JSGXTZMCQYACBY-OALUTQOASA-N 329.896 5.344 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1ccc(F)c(Cl)c1 299821914 CKXGCZMSCXLILN-UHFFFAOYSA-N 327.790 5.115 0 1 EKAF C[C@@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299822900 PVSHHPHKLAOXAY-SFHVURJKSA-N 346.835 5.064 0 1 EKAF CC(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 586895918 CEUJWTDSRLGUDC-UHFFFAOYSA-N 336.435 5.385 0 1 EKAF Clc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Cl 587037033 QMDLUXMPJWPERV-CYBMUJFWSA-N 341.288 5.310 0 1 EKAF Cc1ccnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587123632 FFABGVLPLGLXTK-DAXSKMNVSA-N 335.354 5.049 0 1 EKAF c1cc2c3c(cc(-c4ccc(N5CCCCCC5)cc4)nc3c1)CC2 587212780 QXWBJONLUJIEGU-UHFFFAOYSA-N 328.459 5.381 0 1 EKAF CC/C=C/CCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477499 CNXGMSBCBOTSBL-FUTAKVPZSA-N 344.495 5.985 0 1 EKAF CCc1ccc(C(=O)CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587954919 CYEKBDNGXMCJPB-UHFFFAOYSA-N 347.245 5.248 0 1 EKAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1cccc2ccoc12 653875511 CDPVLUKOHJSXBN-VOTSOKGWSA-N 333.475 5.876 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(C)c2Cl)N1 962949391 LZCVWAZKZIDRHI-FKIZINRSSA-N 342.845 5.283 0 1 EKAF COCCCCCCCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1 2356635156 UDFAQHMVTQZZRW-HBMCJLEFSA-N 341.580 5.206 0 1 EKAF COc1c(O)cccc1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 26168849 LKSJWYMXAWCGEV-DENIHFKCSA-N 328.496 5.886 0 1 EKAF Clc1cccc(CN2CC=C(c3nc4ccccc4s3)CC2)c1 26376360 OYONXBYXNCMUFL-UHFFFAOYSA-N 340.879 5.239 0 1 EKAF Cc1ccc2c(=S)n(-c3ccc(C(C)C)cc3)c(=S)oc2c1 64549725 FAXKKMNRKUGIMV-UHFFFAOYSA-N 327.474 6.114 0 1 EKAF Oc1ccc(-c2sc3ccccc3c2-c2cc(O)cc(O)c2)cc1 95554326 JZHUEPPGAGRRIR-UHFFFAOYSA-N 334.396 5.352 0 1 EKAF C[C@@H]1CC(=O)[C@@H]2C(=Nc3ccccc3S[C@H]2c2ccc(F)cc2)C1 138926639 IEBXVUYCNGUPMQ-OUWQEXSBSA-N 339.435 5.360 0 1 EKAF CC(=O)O[C@@H]1C[C@H]2CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)OC2(C)C 149673075 FPHDVZHOKLNUJI-SQGJLOPSSA-N 348.527 5.739 0 1 EKAF CCc1ccc(-c2nc(-c3nc4cc(OC)c(C)cc4[nH]3)cs2)cc1 587016298 UUGKRRWQSUZTKN-UHFFFAOYSA-N 349.459 5.233 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC(C)(C)C)cc1)O2 587411224 YSJYGKYGJGHCDB-GOSISDBHSA-N 341.476 5.174 0 1 EKAF Cc1cnc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587948478 DNIGXNMTYHRILP-UHFFFAOYSA-N 349.821 5.303 0 1 EKAF Cc1cc(F)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587949647 JUQRYSVOVZTMLX-UHFFFAOYSA-N 332.378 5.394 0 1 EKAF CCC[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C 587954841 GMEHKTIQNMSYEV-SECBINFHSA-N 335.320 5.152 0 1 EKAF O=C(c1cc(Cl)ccc1Cl)c1nccc2c1[nH]c1ccccc12 653784786 FFFBYUQGTVOLNT-UHFFFAOYSA-N 341.197 5.254 0 1 EKAF CCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@H](C)[C@@H]1C 2356436348 JBDHOPIBEWESIO-ZGXWSNOMSA-N 340.548 5.900 0 1 EKAF CC(C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356464046 VGSNSKPAMZNBLL-NOKBYUERSA-N 332.572 5.908 0 1 EKAF CSc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 3832172 WHMXPEFILAQQGE-UHFFFAOYSA-N 342.467 6.133 0 1 EKAF CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(C)cc3)ccc21 5248020 XLERXHAKBYDYTI-RVDMUPIBSA-N 339.438 6.019 0 1 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2ccc(O)c(Cl)c2C[C@]13C 13374388 WTHNHDFNKOVPBI-PUZMVAROSA-N 348.914 5.982 0 1 EKAF biogenic C[C@@H](CCCc1ccoc1)CC(=O)C[C@H](C)CCCc1ccoc1 13458762 GUCJAPKUQUQDNJ-HDICACEKSA-N 330.468 5.840 0 1 EKAF biogenic CCCCOP(=O)(CCCOc1ccccc1)OCCCC 13488974 UJQYKSMQBZCDMB-UHFFFAOYSA-N 328.389 5.282 0 1 EKAF CCN(CC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29485692 CMPKTAXJJJLOGY-APWZRJJASA-N 334.290 5.912 0 1 EKAF CC(C)(C)c1ccc(Nc2nc3ccc(-c4ccno4)cc3[nH]2)cc1 84690387 QDRJTUHMHWQFRY-UHFFFAOYSA-N 332.407 5.259 0 1 EKAF Clc1nc(-c2ccccn2)nc2sc3c(c12)CCCCCC3 96903273 SMKKWRUAXOUYAP-UHFFFAOYSA-N 329.856 5.066 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(Nc5cccnc5)nc4c3)ccc21 140558582 ODXFEAFCJQNKMH-UHFFFAOYSA-N 340.386 5.125 0 1 EKAF Oc1cccc(-c2cc(-c3cccs3)cc(-c3cccc(O)c3)n2)c1 473135017 KRHIFXLYHBXQIS-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Cc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587055561 VATAKNVCUCZTGH-WAYWQWQTSA-N 337.637 6.002 0 1 EKAF Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587099613 OYYKOWWDGCGTJL-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](CCCF)CC3 587104472 WALQULXCQJZUMO-CYBMUJFWSA-N 331.390 5.226 0 1 EKAF CC[C@@H](C)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207202 JVUAILALPIJYGU-KGLIPLIRSA-N 327.427 5.207 0 1 EKAF COc1ccc2c(c1)C[C@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)CC2 587945503 FTFPVEDHPUQPBF-OAHLLOKOSA-N 334.463 5.142 0 1 EKAF Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1857569760 VIBSENIOUAAHNM-UHFFFAOYSA-N 348.471 5.122 0 1 EKAF c1ccc2c(c1)ncn2CCCCn1c2ccccc2c2ccccc21 1857611301 KPPWWABGRMHDMC-UHFFFAOYSA-N 339.442 5.625 0 1 EKAF CCCCCC=CCC=CC=C[C@@H](O)CC=CCCCCCC(=O)O 2356309477 JPDRASHSWRWLOW-OAQYLSRUSA-N 348.527 5.968 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)cc(C)c(CC=C(C)C)c1O 2356618520 XGLWDZCGSBTQLD-UHFFFAOYSA-N 328.496 6.150 0 1 EKAF FC(F)(F)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1508059 OMROKEVDZAWNOU-UHFFFAOYSA-N 330.265 5.169 0 1 EKAF CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCCCC 5819983 SVGGKWILBMPIJV-OKLKQMLOSA-N 336.560 7.143 0 1 EKAF CC(=O)O[C@@H]1Cc2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]12 13302219 DKFWEVHDRVCABW-RZUBCFFCSA-N 344.495 5.087 0 1 EKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC1CC1 13797909 JAUXZPBWXNXKFB-DOFZRALJSA-N 344.583 7.559 0 1 EKAF Nc1sc2c(c1C(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCC2 27877405 LXOPNDNNNAWFIF-UHFFFAOYSA-N 345.467 5.011 0 1 EKAF C/C=C(\c1ccccc1)c1oc(=O)c(CCCC)c(O)c1CCCC 29547014 VEDGJMXGTRBEKP-UBKPWBPPSA-N 340.463 5.482 0 1 EKAF CCCCC[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 36289425 XMTVISLAECGBLA-GGEZLSIDSA-N 342.567 6.715 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nc(-c2ccccn2)co1 40865091 TYMJNKSRBQAFFG-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccccc1 72125086 HYYQDTGAVFYWEW-JOCHJYFZSA-N 346.861 5.995 0 1 EKAF Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2Cl)c1C=O 95563640 DBUYMODKGXPIFK-UHFFFAOYSA-N 347.201 5.092 0 1 EKAF CCCCCc1cc2c3c(c1)OC(C)(C)[C@H](CC/C=C(/C)O2)C3=O 138874785 KVIOVSOUWUNPCR-IHWMJMDHSA-N 328.452 5.466 0 1 EKAF Cc1ccnc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c12 587032058 YKWZXBJFPZVHEK-GFCCVEGCSA-N 348.475 5.225 0 1 EKAF CSc1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085660 ZPHJSXRPJMLSAF-UHFFFAOYSA-N 325.824 5.153 0 1 EKAF O=C1c2ccccc2-c2cc(CCCC(F)(F)F)nc3cccc1c23 587103108 BXZSFUNMQWPFAZ-UHFFFAOYSA-N 341.332 5.331 0 1 EKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(Cl)cc3[nH]2)c(F)c1F 587134482 LVLUHYRMVGXXKI-RQOWECAXSA-N 344.670 5.082 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3)nc3cccc1c23 587205616 DKAWOTWHBHITLM-BUHFOSPRSA-N 333.390 5.617 0 1 EKAF Cc1cc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)ccc1O 587216246 XNRSSUQKEMBIMI-UHFFFAOYSA-N 337.422 5.681 0 1 EKAF O=C(c1cncc(-c2cccs2)c1)c1coc2ccc(Cl)cc12 587278836 MJMFRDHVTWOUCN-UHFFFAOYSA-N 339.803 5.441 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccccc3)c1)O2 587407313 ZZGSXOIUGMWYNG-QHCPKHFHSA-N 343.426 5.125 0 1 EKAF C[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500022 LEKQOKZHBWVMPT-FQEVSTJZSA-N 326.823 5.099 0 1 EKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1 587527917 VKEFFQNPAUTUMW-JOCHJYFZSA-N 343.426 5.129 0 1 EKAF Cc1sc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587535982 QQVKLUQKWXTITJ-IBGZPJMESA-N 348.467 5.795 0 1 EKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3ccc(F)cc3F)[nH]c12 587623860 AJAQDYLNUSGWFM-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(CC(=O)C(F)(F)F)c(C(C)C)c2c1 587642143 PHSHRNFMXYDYQB-LLVKDONJSA-N 325.374 5.479 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)c(OC)c(F)c3)c(C)c2c1 587643147 RYNKCRBDUZQAAP-LLVKDONJSA-N 329.390 5.944 0 1 EKAF CC[C@H](C)CCCCCC=C[C@@H](C)[C@H](O)CCCCCC(=O)O 2356488395 KUETZEFEIMFMOF-IPMKNSEASA-N 326.521 5.571 0 1 EKAF O=C(c1ccccc1)c1cc(Cl)ccc1OC/C=C/c1ccccc1 13741306 FRPLYSXYNYZSMO-JXMROGBWSA-N 348.829 5.663 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)ccc2ncoc12 15148668 LXWIJLMRFWGTQK-LDQIIQMXSA-N 339.479 5.875 0 1 EKAF biogenic CCc1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2 66074240 HGJPZVDXODRCRP-RCDICMHDSA-N 348.490 5.374 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(O)c3)c2)c1 73197021 LAKMRENAOJDJCY-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2ccccc2)cc1 95562881 QWFZWKTVXPXULR-GOTSBHOMSA-N 331.503 5.778 0 1 EKAF CC(C)CCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2 95589434 ABOJASQGLKYTCK-BWAGFHJFSA-N 343.511 5.564 0 1 EKAF Fc1ccc(CCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 100753816 TYLIVIWKWHWCFT-AVRDEDQJSA-N 348.465 5.392 0 1 EKAF O=C(C[C@H](Nc1ccccc1)c1ccccc1)c1cc2ccccc2o1 103196392 ZOYRTCRIAFMWIM-FQEVSTJZSA-N 341.410 5.859 0 1 EKAF CCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 103277922 INPUMBUYIWRZSK-IBGZPJMESA-N 343.417 5.606 0 1 EKAF Cc1cc(O)c(C2=NO[C@@H](c3ccccc3Cl)C2)c(C)c1Cl 299856659 DBPYERFQUFGJDE-OAHLLOKOSA-N 336.218 5.182 0 1 EKAF O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCC1 299867836 QOIWDQBDHLUJHN-UHFFFAOYSA-N 336.460 5.016 0 1 EKAF COc1ccc2cc([C@H](C)C(=O)OC/C=C/c3ccccc3)ccc2c1 473149145 HXOONHWKCIBQAF-NADMHLTPSA-N 346.426 5.209 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)(C)C)C4)-c1ccccc1C2=O 587100478 LEHWFTIFYURSKM-KRWDZBQOSA-N 327.427 5.440 0 1 EKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587241694 HHTLOWWAXGLEIY-UHFFFAOYSA-N 345.805 5.007 0 1 EKAF CCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350020 DBDLQZKYXBUMQR-PZJWPPBQSA-N 342.410 5.229 0 1 EKAF Fc1ccc(-c2csc(Cc3ccccc3Br)n2)cc1 587922880 IVLQFTDJJSGFPC-UHFFFAOYSA-N 348.240 5.303 0 1 EKAF CSc1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1 587924592 DXNNKYMOMAIIBG-UHFFFAOYSA-N 348.496 5.990 0 1 EKAF CCC[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C 587954591 BGVYJXNATRJXLQ-SECBINFHSA-N 334.769 5.655 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(=CC(=O)O)C(=O)O 2356641644 XNZYMBLMYICBGE-UHFFFAOYSA-N 334.456 5.281 0 1 EKAF O=C(NCc1ccco1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 205706856 ROQUAZOCRBABHI-MOMVYJMYSA-N 339.435 5.012 0 3 EKAF ClC(Cl)=C(Cl)[C@]1(Cl)C[C@@H]1COCc1ccccc1 1629091 WLHDJGPWRKGCGB-MFKMUULPSA-N 326.050 5.086 0 1 EKAF CCCCCC[C@@H](O)C/C=C/CCCCCCCCCC(=O)O 5820550 OONXYOAWMIVMCI-FIIODCPWSA-N 326.521 5.860 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccnc1)c1ccc(Cl)cc1 5978523 YNBUSMMFDYEUSG-LZQZEXGQSA-N 342.870 5.032 0 1 EKAF CCc1ccc([C@H]2c3cccn3-c3cccc(Cl)c3CN2C)cc1 28458848 DWUPXQJVKZYTNG-NRFANRHFSA-N 336.866 5.228 0 1 EKAF CCCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O 40394771 XSINKSRXARDFLI-UHFFFAOYSA-N 334.415 5.611 0 1 EKAF Cc1c(-c2ccc(Cc3ccc(F)cc3)cc2)[nH]c2ccccc2c1=O 84652834 VMBCUYPHCLRGAH-UHFFFAOYSA-N 343.401 5.233 0 1 EKAF O=C(C[C@H](Sc1ccccc1)c1ccco1)c1ccccc1Cl 103168702 CKOONGZRHDJGGL-IBGZPJMESA-N 342.847 6.039 0 1 EKAF Cc1c(F)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016547 XXGOXMGDSZPJOP-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF Cc1cc(-c2nc3ccccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145052 SICFJXDQTISBHK-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF Cc1cnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587164495 SIQQCJOUNLXAAK-XNTDXEJSSA-N 335.407 5.056 0 1 EKAF O=C1C[C@@]2(CC[C@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526864 UGJFIRPLWWIPLR-KOSHJBKYSA-N 346.470 5.312 0 1 EKAF CC[C@@]1(c2ccsc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587529994 CAMXBEIPICWNKX-FQEVSTJZSA-N 326.461 5.206 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(OC(F)F)cc1 587629718 ZBJCMKABYLBXDG-UHFFFAOYSA-N 339.744 5.461 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(C(F)(F)F)cc1 587630033 ONPULBPVJDFIPM-UHFFFAOYSA-N 341.735 5.878 0 1 EKAF O=C(c1c(-c2cccs2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587630133 UQTKXESHGMURKW-UHFFFAOYSA-N 347.720 5.434 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2cc(Cl)c(F)cc12 587630713 BELBPXDOMUCCQI-UHFFFAOYSA-N 344.861 6.332 0 1 EKAF Clc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 587949267 DMJSRGPJTXTZCN-JLHYYAGUSA-N 347.805 5.574 0 1 EKAF C/C(=C\c1nc2c(C)c(Br)cnc2[nH]1)C1CCCCC1 587968768 TVBOMCDQYSQLQJ-CSKARUKUSA-N 334.261 5.012 0 1 EKAF O=C(Nc1ccc2sc(-c3ccc(F)cc3)nc2c1)c1ccccc1 1772578278 HKSSUCLFYXLFFT-UHFFFAOYSA-N 348.402 5.355 0 1 EKAF CN1C(=S)C2(CCCCC2)c2cc(-c3cccc(Cl)c3)ccc21 13488888 YUHUDFNACGMAST-UHFFFAOYSA-N 341.907 5.986 0 1 EKAF O=C(O)c1ccc(-c2ccc(-c3cc4c(F)ccc(F)c4o3)[nH]2)cc1 13809530 SHACURAORIXXFU-UHFFFAOYSA-N 339.297 5.071 0 1 EKAF CC[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1 84741086 LJSNSVJTWALSGU-LJQANCHMSA-N 345.486 5.375 0 1 EKAF CCCCCc1c([C@H](O)CCCC)[nH]c2cc(C)c(C(=O)O)cc12 221353999 MBBMPGUBVMHAIT-GOSISDBHSA-N 331.456 5.131 0 1 EKAF CC/C=C/C/C=C/C/C=C/C/C=C/CC/C=C/CCCC(=O)OC 238735144 RRPJCVGNLPATGI-ODWSEAKESA-N 330.512 6.471 0 1 EKAF Cc1ccc(CSCCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 586970593 MOMASOKCJRLQDP-UHFFFAOYSA-N 334.847 5.140 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)C)C4)-c1ccccc1C2=O 587100504 LJFUXXXEYQJRNT-HNNXBMFYSA-N 341.454 5.516 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccoc1CC4)-c1ccccc1C2=O 587101171 KFUVFRUPKDCERP-UHFFFAOYSA-N 337.378 5.113 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528418 ZITZZYZNNOVLJM-FQEVSTJZSA-N 345.442 5.370 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c([C@@H](C)C(=O)O)c2c1 587643764 WKNXQOVIVGXWAR-QWHCGFSZSA-N 339.410 5.676 0 1 EKAF CC1=CC[C@@H](C(C)(C)Oc2cc3occc3c3oc(=O)ccc23)CC1 2356386789 WKYMIOLWRMMQPK-CQSZACIVSA-N 338.403 5.443 0 1 EKAF C=C1OC(=O)C(CCCCCCC=CCC=CCCCCC)=C1O 2356493367 QUUHAZMMSDBIJF-UHFFFAOYSA-N 332.484 6.292 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(C)cc(O)cc2O1 2356625578 QJCFVYYUAJZBKT-JOCHJYFZSA-N 326.480 6.338 0 1 EKAF Cc1nc2c(C)cccn2c1[C@@H](Nc1ccc(F)cc1)c1ccccc1 4949680 BMYZVIISTZYVFH-FQEVSTJZSA-N 345.421 5.292 0 1 EKAF CC(C)N(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835788 AXJNQTWCGWGLCZ-QFBILLFUSA-N 334.290 5.910 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)N1CCC([C@@H](C)CO)CC1 13895064 CCOUQBSRJCGJNY-UFYCRDLUSA-N 325.581 5.348 0 1 EKAF Cc1ccccc1NC(=N)Nc1ccccc1/C=C/c1ccccc1 26490788 GDFHXFJBKUMHMG-FOCLMDBBSA-N 327.431 5.624 0 1 EKAF CCCCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O 40395571 RGNPFXRZJCATFE-UHFFFAOYSA-N 348.442 6.001 0 1 EKAF CC(C)C[C@@H](N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 66078398 PKNHHRUELROULR-GOSISDBHSA-N 342.354 6.172 0 1 EKAF Cc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1 72116550 LNZMJRMBZUDXQP-UHFFFAOYSA-N 347.368 5.627 0 1 EKAF CCCCCC/C(C)=C\C(=O)OC[C@H](C)CCC[C@H](C)CC(=O)O 96085814 HPMCDJQPMNPVHR-MJLVVAAFSA-N 340.504 5.364 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@H]1CC/C=C(/C)CC[C@@H]2[C@H](C)CCC=C(C)C 169370424 SOAIWELMVRCOAD-ISEWQILGSA-N 346.511 5.252 0 1 EKAF CCCC[C@]1(c2ncccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587518100 AUZCWMFSZFRVBZ-HSZRJFAPSA-N 349.474 5.320 0 1 EKAF CC(C)(C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523903 MCIIFYKVAYUBGD-QHCPKHFHSA-N 334.459 5.472 0 1 EKAF O=C1C[C@@]2(CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587527970 YCKAMYDMSFAMAY-HSZRJFAPSA-N 332.443 5.153 0 1 EKAF O=C1C[C@H](c2c(S)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587531071 FIVJGPGOHHHUCH-GOSISDBHSA-N 349.455 5.042 0 1 EKAF CC(C)c1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(Cl)cc1 587638133 JTOYWFXGJRJNDV-UHFFFAOYSA-N 327.811 5.234 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NC3CCCCCC3)c2c1 587642349 LKKKBYLPWRHVAU-CQSZACIVSA-N 326.484 5.442 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(OC)cc3)c2c1 587644050 ZNQROENDIKGYDZ-CYBMUJFWSA-N 336.435 5.251 0 1 EKAF C[C@@H](CC1CCCCC1)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962666825 LRNGBRWCAUKBAD-UUOWRZLLSA-N 333.519 6.147 0 1 EKAF Cc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)co2)cc1 1911571660 LWQUREKCNOHOFS-UHFFFAOYSA-N 336.288 5.552 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2cc(C)cc(O)c2C[C@H]1O 2356496799 OELJEAVRDMYCHY-YADHBBJMSA-N 344.495 5.228 0 1 EKAF CCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 28766913 NOWBVVFEIZJKLJ-UHFFFAOYSA-N 343.257 5.528 0 1 EKAF c1ccc2c(c1)Cc1c(Nc3cccc4ccccc34)ncnc1O2 49808199 XFVBCYXQHOQFQM-UHFFFAOYSA-N 325.371 5.070 0 1 EKAF Cc1ccc([C@H]2N=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1 84740302 DNXKUOIYYWCCCB-XMMPIXPASA-N 349.433 6.077 0 1 EKAF C=C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1-c1ccccc1 95594856 OZRVSIPOGCVDBZ-UHFFFAOYSA-N 346.426 5.441 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 103889345 RXAMOQHKOJWWJW-NRFANRHFSA-N 332.447 5.866 0 1 EKAF C/C1=C\C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H](O)C(C)(C)CCC1 169342387 JRSLQKPYZJDQRG-FTLAQYGISA-N 342.479 5.066 0 1 EKAF Cc1ccnc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 587051715 UJZBQCIIQZZUEK-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF CC(C)Oc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079801 HLRPBIHFDXEBEK-UHFFFAOYSA-N 339.826 5.007 0 1 EKAF Cc1ccc(C)c(-n2ncc(-c3cc4c5c(cccc5n3)CC4)c2C)c1 587211546 TVTNPNXUBTUPCT-UHFFFAOYSA-N 339.442 5.111 0 1 EKAF O=C(c1cccc(SC(F)F)c1)c1coc2ccc(Cl)cc12 587278184 IHLJGFUVXCJZNN-UHFFFAOYSA-N 338.762 5.632 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccccc13)O2 587396445 KZQOSUJPTJMAHB-GOSISDBHSA-N 348.446 5.063 0 1 EKAF O=C1C[C@@H](c2cccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587500762 CUKLHFWUJMFEEW-KRWDZBQOSA-N 330.786 5.064 0 1 EKAF Fc1ccc2c(-c3ccccn3)c(-c3ccc(Cl)cc3F)[nH]c2c1 587634139 AXTVSCTZPOJRFY-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cc1 587936637 WVSUKGUBOVAXJK-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc32)n1 587951161 JTMYFRWLMWAKBJ-UHFFFAOYSA-N 329.403 5.018 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587967212 IPNMWEUSGXQUDC-RVDMUPIBSA-N 346.478 5.544 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccc(-c2ccco2)s1 963011303 PBMDXUHARADGLI-SFHVURJKSA-N 329.490 5.096 0 1 EKAF CCC[C@]1(c2ccc(C)s2)c2ccc(F)cc2C[C@@H]2CCCN21 963115761 VZWUUJBDNOQADH-FXAWDEMLSA-N 329.484 5.260 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2[nH]ccc12 1772601389 RXVFXTCSJPGEPY-ONEGZZNKSA-N 344.380 5.332 0 1 EKAF C1=C(c2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 1857544677 XBNIRQLEMUTTLO-JOCHJYFZSA-N 334.418 6.405 0 1 EKAF CC(=O)Nc1ccc([C@@H](/C=C/c2ccccc2)Cc2ccccc2)cc1 203471950 IJRRMOULSIDHMI-OTOIZHKDSA-N 341.454 5.685 0 3 EKAF Cc1cccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)n1 13141312 BSLXSIBAYYPRKH-UHFFFAOYSA-N 348.431 5.221 0 1 EKAF CC(=O)OC/C=C(\C)CCC[C@@H](C)CC[C@H]1[C@@H](C)CCCC1(C)C 14921174 UMBAAYHFKZFIKK-VXUVMHSCSA-N 336.560 6.545 0 1 EKAF CCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 29052085 RTKCLHOLWGNTOT-UHFFFAOYSA-N 332.447 5.610 0 1 EKAF in-vivo O=C1c2cccn2-c2ccc(Cl)cc2S[C@H]1c1ccccc1 29223514 DEUUVXSGSBHKLC-SFHVURJKSA-N 325.820 5.160 0 1 EKAF Clc1ccc([C@H]2C[C@@H](N3CCCC3)c3ccccc32)cc1Cl 29489071 UIVROQLNUFGFCX-VQIMIIECSA-N 332.274 5.666 0 1 EKAF Cc1ccc(CCCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1 40411175 OCPKZQVNCPAWTJ-UHFFFAOYSA-N 345.442 5.612 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c1 40975262 RPBZUFRIXGCULF-LJQANCHMSA-N 337.469 5.812 0 1 EKAF O=C(Nc1cccc(Cl)c1Cl)Nc1ccnc2ccccc12 45168022 AOIWIKKJJKTSIG-UHFFFAOYSA-N 332.190 5.186 0 1 EKAF Cc1ccc2c(c1)S[C@]1(c3ccccc3)C(=O)c3ccccc3C1=N2 84727281 SKWGTQNAHFFUHN-QFIPXVFZSA-N 341.435 5.313 0 1 EKAF FC(F)(F)c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 95755263 DZDFRYWEDYANLZ-UHFFFAOYSA-N 336.338 5.048 0 1 EKAF Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 104090789 UKPVVNSOKWZJRX-INIZCTEOSA-N 341.842 5.222 0 1 EKAF O[C@@H]1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)C1 263608600 UCXPRAJDTFLIAK-YFNKSVMNSA-N 326.439 5.402 0 1 EKAF CCCC(Br)(CCC)c1nc2cc3ccccc3cc2[nH]1 586970975 MUHIKOHKVYZSIW-UHFFFAOYSA-N 345.284 5.907 0 1 EKAF Clc1cccc(/C=C/c2nc3cnc4ccccc4c3[nH]2)c1Cl 587054585 OURCKACIATZOSX-CMDGGOBGSA-N 340.213 5.588 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3F)nc3cccc1c23 587104420 TVNPOEMKTBXDNH-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(C)c3[nH]2)c1 587159807 ZPUILEDPCZSGMR-UHFFFAOYSA-N 346.405 5.277 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c2c1 587643489 UTZKCGDOYXXCFU-ZDUSSCGKSA-N 339.410 5.533 0 1 EKAF CCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820008 NOTPYPFKLUVZMQ-SMDDNHRTSA-N 328.269 5.134 0 1 EKAF CCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820777 QZKAUTBQDGAFHG-GHHSDMFKSA-N 338.264 5.076 0 1 EKAF NC[C@@H]1c2ccccc2CCc2cc(CCCc3ccccc3)ccc21 13536468 KMIIOYQZRICJDL-RUZDIDTESA-N 341.498 5.051 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@]12C[C@@]1(C)CCCC2(C)C 28235813 ZQAZXAXJQNKOAF-IXYVDULASA-N 342.523 6.161 0 1 EKAF C[C@H](c1ccc(O)c(F)c1)[C@H](CC(F)(F)F)c1ccc(O)c(F)c1 33852265 PRRSFMGODMUPJN-SKDRFNHKSA-N 346.295 5.216 0 1 EKAF in-man CSc1ccc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 40505267 AITIWKQNXCIBPB-UHFFFAOYSA-N 342.464 5.184 0 1 EKAF CC(C)N(Cc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72184738 YLCHTNYYHGUFIF-UHFFFAOYSA-N 342.442 5.910 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 82149418 HIDWZKUACBCZIT-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CC(C)c1c(O[C@@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O 95589085 BZUWQISDPPBBPF-QFBILLFUSA-N 339.479 5.047 0 1 EKAF C1=C(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CCCC1 139424651 WDKPPBMVOAQLJN-UHFFFAOYSA-N 344.418 5.365 0 1 EKAF COc1cccc(F)c1-c1cccc2nc(Nc3ccccc3)oc12 169326135 XDOILUADECHLAS-UHFFFAOYSA-N 334.350 5.386 0 1 EKAF CCCCCc1c(C(=O)CCCC)[nH]c2cc(C)c(C(=O)O)cc12 221355863 UOYKNDOZLYPJGL-UHFFFAOYSA-N 329.440 5.280 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@H]2c2ccc3c(c2)[C@H]2CC[C@H]3C2)cc1 253633636 JXPKDVUVFSQUEH-FHQLIMNDSA-N 332.443 5.499 0 1 EKAF C[C@H](N=O)[C@@H]1CC=C2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261141619 NEBOMMQPPZFFBC-RJRWKZCGSA-N 329.484 5.001 0 1 EKAF Cc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Cl 587094785 HJRXBSNLADDUTJ-UHFFFAOYSA-N 338.760 5.443 0 1 EKAF CCCCCCc1c(CC)nc2cccc3c2c1-c1ccccc1C3=O 587205884 HALLQVPERYOUFY-UHFFFAOYSA-N 343.470 6.131 0 1 EKAF CC[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504369 IULMVMCIBNPGOU-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF CC(C)=CCC[C@@H](C)C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528170 YSPUIIWFHGTNRK-AEFFLSMTSA-N 326.480 5.672 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCCCCC2)N1 587824480 XAIRXPKCKWOVLA-DIFFPNOSSA-N 340.280 5.134 0 1 EKAF COc1ccc(C2(c3nc4c(C)ccc(C)c4[nH]3)CC3(CCC3)C2)cc1 587936636 WVQVJOJJHNJCNP-UHFFFAOYSA-N 346.474 5.439 0 1 EKAF C/C(=C\c1nc2cc(Br)cc(C)c2[nH]1)C1CCCCC1 587966634 CTSSXGYBEVPHHI-PKNBQFBNSA-N 333.273 5.617 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2n1 587969758 WGXDHPMUACDVTI-KAMYIIQDSA-N 327.431 5.579 0 1 EKAF CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc2c1OC(C)(C)C=C2 2356437142 IJVBICLYLYPOJK-UHFFFAOYSA-N 340.463 5.804 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356498256 OJZATKPMGAGZGS-QFIPXVFZSA-N 328.496 6.257 0 1 EKAF CC[C@@H](C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O 13765029 LIKRETBXJYZCFC-MRXNPFEDSA-N 344.458 5.089 0 1 EKAF CC[C@H](C)c1ccc(N2C(N)=NC[C@@H]2c2ccc(C(C)C)cc2)cc1 13780657 KTRUNALIHOBCOJ-HRAATJIYSA-N 335.495 5.200 0 1 EKAF C/C(=C\C=C\[C@H]1C[C@@H]1C(=O)O)c1ccc2c(c1)C(C)(C)CCS2 27441133 JBYUAIVUCGPCAT-ISXJNOANSA-N 328.477 5.140 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@@]34CO[C@@H]2[C@@H]14 31520406 UGGAILYEBCSZIV-WFLKQGPQSA-N 342.479 5.146 0 1 EKAF CO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45367032 AHBQLGGDXGWTBF-JKSUJKDBSA-N 338.904 5.263 0 1 EKAF O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S[C@H]12 169715463 DQEHBFZYRSACTF-XIKOKIGWSA-N 327.836 5.034 0 1 EKAF COc1cc(-c2nc3cccc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046596 XODLNXNNSIBMRY-UHFFFAOYSA-N 348.805 5.066 0 1 EKAF Cc1ccccc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205750 DWZLCJJWBSPYNH-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF O=C(c1cc(F)c(Cl)cc1Cl)c1coc2ccc(Cl)cc12 587279110 WFDLCVDRSKFFEP-UHFFFAOYSA-N 343.568 5.763 0 1 EKAF CC/C=C/CCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522634 GCXUEXARKJWGKI-RTLBZRNLSA-N 340.507 6.206 0 1 EKAF O=C1C[C@@](c2ccccc2)(C2CCC2)Oc2c1ccc1c2CCCC1 587524829 NMPSJORMJOXFAF-HSZRJFAPSA-N 332.443 5.226 0 1 EKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cccc(F)c12 587632485 FNHSRRSAODJZJY-UHFFFAOYSA-N 349.792 5.858 0 1 EKAF CC[C@@H]1C[C@@H](C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962712505 UTZFROIEXRBFRX-YRNRMSPPSA-N 329.509 5.441 0 1 EKAF COc1ccc(-c2cc(-c3ccc(F)cc3)nc3cccnc23)cc1 1857629043 UQQQLSVAEDSGKI-UHFFFAOYSA-N 330.362 5.112 0 1 EKAF COc1ccc2nc(-c3cccc(OCc4ccccc4)c3)sc2c1 13831167 RTZFESNHUGJJOG-UHFFFAOYSA-N 347.439 5.551 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2c(CCc3ccccc3)cc(O)cc2O1 14490553 BJWKGFBYJPLIQS-XMMPIXPASA-N 348.486 6.088 0 1 EKAF biogenic Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c1 40860594 DZJYISGBNCCXKA-OAQYLSRUSA-N 331.440 5.750 0 1 EKAF C[C@@](/C=C/c1ccccc1)(Cc1ccccc1)[C@@H](O)c1ccccc1 71335223 ANHMNCZTYNYUJX-HEFFAWAOSA-N 328.455 5.682 0 1 EKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163241 IKVALUWXTJLZEG-LBPRGKRZSA-N 338.480 5.094 0 1 EKAF c1ccc2c(c1)c1ccncc1n2-c1ccc2[nH]c3cnccc3c2c1 238743827 KUDXHMMLRLTGHM-UHFFFAOYSA-N 334.382 5.208 0 1 EKAF FC(F)(F)Oc1cccc(-c2nc3cccnc3n2C2CCCC2)c1 299834371 LIONEFPEKKERNE-UHFFFAOYSA-N 347.340 5.112 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586963379 MDBKGCUADQENEQ-VIFPVBQESA-N 338.263 5.259 0 1 EKAF Cc1cc(Cc2nc3cc(Cl)cc(C)c3[nH]2)ccc1Br 586977214 OULJMBMVAQAQDY-UHFFFAOYSA-N 349.659 5.186 0 1 EKAF CCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602132 WKGHTTMIRLHLMZ-RXVVDRJESA-N 340.419 5.083 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2c(C)cc(Cl)cc12 587624558 LTDCTXAXFMYXRS-UHFFFAOYSA-N 349.764 5.252 0 1 EKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624763 UPLVYCINCGFTFU-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(CSc3ccc(F)cc3)c2c1 587643931 YYDYOEHADQUMAK-CYBMUJFWSA-N 327.468 6.421 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1F 587925599 RTIJHFOOMHELRW-UHFFFAOYSA-N 345.464 5.737 0 1 EKAF Cc1c(-c2cc(Cl)c(O)c3ncccc23)oc2ccc(O)cc12 653751724 OXESIVYQPBCCEC-UHFFFAOYSA-N 325.751 5.021 0 1 EKAF CC1=C(C[C@H]2NCCc3cc(-c4ccccc4)ccc32)C(C)(C)CCC1 962673156 XNLMWTPGQLMFGS-XMMPIXPASA-N 345.530 6.457 0 1 EKAF CCC=CCC=CCC=CCC=CC=C[C@H](O)CCCCCC(=O)O 2356340511 QVCGPPHEKAYGRO-NRFANRHFSA-N 346.511 5.744 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@H](C)C=C[C@@H](C)C(C)C)C1=CC(=O)O2 2356518085 FCFUSYHGZLEMJM-YMDUPTGGSA-N 346.511 5.123 0 1 EKAF CC1=C2[C@H](Nc3ccccc3C(=O)O)C[C@@H](C)[C@@]23CC[C@@H](C3)C1(C)C 2356540662 FUHKTMCSLBNMMQ-TYVVJSCBSA-N 339.479 5.348 0 1 EKAF CNc1c(C)c(O)c2c(c1O)[C@H](C)CC[C@@H]2[C@H](C)CCC=C(C)C 15150370 KZZKJBOEEWEBSF-IIAWOOMASA-N 331.500 5.811 0 1 EKAF biogenic CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OC 26281590 CDWBSJCDQBPQKL-QFIPXVFZSA-N 347.376 5.339 0 1 EKAF CCCC[C@@H](CC)Cc1cc(O)c(C[C@H](CC)CCCC)cc1O 84400820 KLPWVZKDLHTFNQ-QZTJIDSGSA-N 334.544 6.616 0 1 EKAF O=C(O)c1[nH]c2cc(Cl)ccc2c1Sc1ccc(Cl)cc1 95583810 DZUFBOBZCXJBFD-UHFFFAOYSA-N 338.215 5.324 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc(Cl)cc1 169299015 VOXVAMKRKWNIEZ-BNDYYXHWSA-N 338.834 5.040 0 1 EKAF CCN(CC)CCOc1ccc(Cl)cc1CCC1CCCCC1 169325165 UIRMFRSAKGHABH-UHFFFAOYSA-N 337.935 5.574 0 1 EKAF CCN1CCC[C@H](COc2ccccc2CCC2CCCCC2)C1 169329804 XWYXRWUCVPLKTO-FQEVSTJZSA-N 329.528 5.310 0 1 EKAF CO[C@@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](c2ccccc2)C1 223283065 YMPJBKLLEMBQMA-DENIHFKCSA-N 348.490 5.137 0 1 EKAF O=C1c2ccccc2-c2cc(C3CCCCCC3)nc3ccc(O)c1c23 586991919 RMRWHZIHXHZNBP-UHFFFAOYSA-N 343.426 5.590 0 1 EKAF CCc1cc(OCc2nc3ccc(Cl)c(C)c3[nH]2)ccc1Cl 587052800 NEPHFCWHMIDOPJ-UHFFFAOYSA-N 335.234 5.320 0 1 EKAF Cc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Cl 587067155 WAJVMYMCYZQTHZ-LLVKDONJSA-N 335.234 5.627 0 1 EKAF CCc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587099631 QAFCQHMLFMHTPM-UHFFFAOYSA-N 349.433 5.984 0 1 EKAF Fc1ccc(S)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587140961 LACKVCZZDNYGIE-UHFFFAOYSA-N 346.736 5.330 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587164309 PUKSNSZSCIBVKP-UHFFFAOYSA-N 346.789 5.890 0 1 EKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587169125 SVEWONZXPVNZGK-MRVPVSSYSA-N 325.170 5.149 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)(C)C)(c1ccc(F)cc1)O2 587383599 CUJRNJZBXVGHEN-NRFANRHFSA-N 341.426 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Cl)c1F)CC2=O 587467012 PKODURGZFWVKEV-LJQANCHMSA-N 348.801 5.018 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)c1 587920681 NFAHODHVTGWEAF-UHFFFAOYSA-N 347.870 6.798 0 1 EKAF CCCOc1ccccc1-c1nc(-c2ccc(SC)cc2)cs1 587925777 URTAPKFIBDBDLN-UHFFFAOYSA-N 341.501 5.988 0 1 EKAF CCCN1[C@H](c2nc3ccc(F)cc3s2)c2ccccc2C[C@H]1C 963223715 DAPCTTOOFKGWOK-YJYMSZOUSA-N 340.467 5.181 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CCc3cc(C(C)C)ccc3[C@@]2(C)C1 13302856 WIPBCBTWUKPWAM-KAGYGMCKSA-N 328.496 5.382 0 1 EKAF biogenic CCC[C@@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 13886499 SHDMBRVUFHSAHT-OAHLLOKOSA-N 338.513 5.333 0 1 EKAF COc1cccc2c1ncc1c(C(C)C)cn(-c3ccc(O)cc3C)c12 26719030 KAHKJINCTKNGHA-UHFFFAOYSA-N 346.430 5.325 0 1 EKAF FC(F)(F)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 40973520 YWZGZHLQGUESCC-GOSISDBHSA-N 344.380 5.354 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC(C)C)cc2)n1 72101972 SFDCZEFCYMYSTH-INIZCTEOSA-N 330.472 5.187 0 1 EKAF Fc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 72111011 GPKQVCHNKVRPDY-HSZRJFAPSA-N 340.401 5.037 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3)n2)c1 82156869 GRPQXLWSNFMVGS-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CCCCCCOc1ccc(-n2cnnc2-c2ccccc2F)cc1 103271758 MSEYFTFNQVXTJX-UHFFFAOYSA-N 339.414 5.033 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccc(F)c3)cc21 144719455 KTXCFNIOPGQFHI-LJQANCHMSA-N 344.307 5.271 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccno1 253636840 RBGXPUBOKUORNP-VFKRBHBSSA-N 341.495 5.082 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086108 SDCXYBPENZBEJE-UHFFFAOYSA-N 335.838 5.729 0 1 EKAF CCCC1(CCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358842 YSQVHEWCZOXQNV-IBGZPJMESA-N 342.410 5.229 0 1 EKAF Cc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628301 RUNZTWYXIVUMCP-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF Cc1ccc2oc(=O)c(-c3cccc(OCc4ccccc4)c3)cc2c1 653757203 WDNCTEMYHFTCPM-UHFFFAOYSA-N 342.394 5.347 0 1 EKAF CCCC[C@H](C(C)C)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618906 FFGRVXHODBQENY-CDMIOBSGSA-N 347.543 5.258 0 1 EKAF Fc1cc(Cl)ccc1-n1c(-c2c(F)cccc2F)cnc1Cl 1772647259 UEHBAXKFRKIVBA-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF CC=C1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356322442 FGSFYZNXYHDZKI-YZPUGCROSA-N 344.539 5.907 0 1 EKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@H]12 2356347597 JIUWTCXNUNHEGP-OEYMKALWSA-N 342.523 5.519 0 1 EKAF CC=Cc1ccc(O[C@@H](C)[C@H](C)c2ccc(O)c(OC)c2)c(C)c1 2356504073 DGSFXPJUZQZPMR-HOTGVXAUSA-N 326.436 5.313 0 1 EKAF C=CC(C)=CC[C@@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@]12C 2356510324 VJDJSELBAMIXHE-RZUBCFFCSA-N 330.512 5.851 0 1 EKAF O=C(C[C@@H](C(=O)c1ccsc1)c1ccccc1)c1cccs1 6581815 KCZYRYZZEYSWFJ-OAHLLOKOSA-N 326.442 5.049 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccncc1 13741944 MDKFLRXFVIMNBI-VJLLXTKPSA-N 349.518 5.399 0 1 EKAF c1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1 38462894 JDMSPHKFVGVCKN-UHFFFAOYSA-N 346.415 5.136 0 1 EKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(C(C)(C)C)cc2)cc1 40874294 ZRRUWKALMQNRMO-JOCHJYFZSA-N 348.490 5.699 0 1 EKAF CCc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40977472 OWJCFRDGDDGVKD-UHFFFAOYSA-N 349.217 5.185 0 1 EKAF O=C1C[C@H](C(F)(F)F)Cc2nc3ccccc3c(-c3ccccc3)c21 45497756 ATUJTESEFXAQPA-CYBMUJFWSA-N 341.332 5.209 0 1 EKAF CC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO 73294825 GERNXALRDMYNPZ-UHFFFAOYSA-N 325.496 5.333 0 1 EKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023581 MPRSJMHKSFYGJO-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026929 KCCKJVSQRPETQL-UHFFFAOYSA-N 332.472 6.256 0 1 EKAF CC(C)(C)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153329 YLGJLMYMQVXETC-STQMWFEESA-N 326.390 5.410 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4CC[C@H]3C4)nc3cccc1c23 587208199 RKFPAOXPOJCWOF-DEYYWGMASA-N 325.411 5.350 0 1 EKAF COC[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363926 UMUDJOOGNNZDNP-CQSZACIVSA-N 347.414 5.407 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccsc3)cc1)O2 587413420 NKPXFCRJSXLQAX-LJQANCHMSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(C)cc1)CC2=O 587488319 IWVPMLTZGKXPOK-JOCHJYFZSA-N 338.447 5.010 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528419 ZITZZYZNNOVLJM-HXUWFJFHSA-N 345.442 5.370 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c2c1 587642179 QCTJIYUAPSEKBT-ZDUSSCGKSA-N 331.381 6.291 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C)c(N3CCOCC3)c2c1 587643023 AQZCTDWOIKPLRC-INIZCTEOSA-N 348.490 5.493 0 1 EKAF Cc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1C 587956077 RZXPUCNMFWUBNQ-HXUWFJFHSA-N 326.443 5.554 0 1 EKAF Cc1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957559 NNEUMFLHJUTQQK-UHFFFAOYSA-N 344.499 5.790 0 1 EKAF Fc1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1Cl 587958818 KIKKQIKWHGHCOQ-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF CC1(C)CCC(Cc2nc3cc(Br)c(F)cc3[nH]2)CC1 587962398 IMLBBVSYPVRZRM-UHFFFAOYSA-N 339.252 5.223 0 1 EKAF Cc1ccc(Cn2ccc3c4ccccc4nc-3c2-c2ccco2)cc1 1857561731 UWIFOXNVIWCREF-UHFFFAOYSA-N 338.410 5.758 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@@](C)(CC=C(C)C1)CC[C@@]2(O)C(C)C 2356441534 WHLNVYDYKOZJJL-YUMYIRISSA-N 348.527 5.188 0 1 EKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13661812 BUIPSHQTUUBPIM-FCHUYYIVSA-N 344.454 5.968 0 3 EKAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5763887 ATEJLEVEJWUXMA-XGYZZIOMSA-N 344.539 5.007 0 1 EKAF biogenic,in-man CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3[nH]c4ccc(C)cc4c23)O1 15211553 QJRWTBSLVJRRRF-QHCPKHFHSA-N 331.459 6.540 0 1 EKAF biogenic CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 66078734 ARIUIGWOURYMLV-GFJXEVPCSA-N 328.496 5.114 0 1 EKAF COc1cc(-c2cc3ccccc3[nH]2)[nH]c1C=C1SCCCS1 95557396 VTLJRYSIKBMSBX-UHFFFAOYSA-N 342.489 5.340 0 1 EKAF Cc1ccc(F)cc1CNc1ccc(-c2cc3c(cc2C)CCC3)cn1 207719704 KEYAZXGVDHLFKM-UHFFFAOYSA-N 346.449 5.605 0 1 EKAF CCc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1CC 586878385 GCZGRJOGCJZRFO-UHFFFAOYSA-N 334.341 5.253 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]2CC3)c1 587365084 DUXHMAMVFISPPB-ACJLOTCBSA-N 341.410 5.706 0 1 EKAF CCCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522515 IMGHNFNCPJJWGX-HSZRJFAPSA-N 334.459 5.399 0 1 EKAF COc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)c1 587624545 OJPBYXXKRYQBLE-UHFFFAOYSA-N 349.764 5.253 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963107134 NWTIVEXJXOJXHY-OPAMFIHVSA-N 334.438 5.034 0 1 EKAF CCCCCCn1cnc2c3c(c4ccccc4c21)OC(C)(C)CC3 1857649305 MNXLLNLCSCPREL-UHFFFAOYSA-N 336.479 5.873 0 1 EKAF CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccccc2)C1 1911572347 YMPJBKLLEMBQMA-UGKGYDQZSA-N 348.490 5.137 0 1 EKAF CO[C@@H]1C[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)c2ccc(C(C)C)cc21 2356322685 YAHULLSOKYPUCD-YXYSEUPNSA-N 330.468 5.050 0 1 EKAF CCc1ccccc1NC(=S)N(Cc1cccs1)C1CCCC1 13573385 PWXDSBBOASXQRF-UHFFFAOYSA-N 344.549 5.452 0 3 EKAF CCCCCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5783458 QGIBTURYXYIAOG-PAHONEIHSA-N 342.523 5.342 0 1 EKAF CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N3CCCC3)c2)s1 13673397 COPUEWHBPUCYBW-UHFFFAOYSA-N 349.503 5.343 0 1 EKAF COc1cc2ccccc2cc1-c1ccc2c(c1)Cc1sc(N)nc1-2 28465295 MRQUBQSECMVJFJ-UHFFFAOYSA-N 344.439 5.125 0 1 EKAF Cc1ccc(Oc2cc(C)c(Cl)cc2C(C)C)c(CC(=O)O)c1 28767609 RXLDPPDQRMCBPF-UHFFFAOYSA-N 332.827 5.500 0 1 EKAF c1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40950430 BHZGAVDQPKAVLD-XMMPIXPASA-N 338.454 5.577 0 1 EKAF in-vivo CCCc1cc(=O)oc2cc(-c3cc4ccccc4s3)cc(O)c12 43019033 ZZCZEYIKPCAHPQ-UHFFFAOYSA-N 336.412 5.333 0 1 EKAF c1ccc2[nH]c(-c3ccc(-c4ccc(CNC5CC5)cc4)s3)nc2c1 45210447 QCMICXFUTSROSD-UHFFFAOYSA-N 345.471 5.210 0 1 EKAF CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95588589 ZNNNHMQVUHNXQO-PMOQBDJRSA-N 341.539 6.261 0 1 EKAF Cc1ccc(-c2nc3cc(Cl)ccc3nc2-c2ccccc2)cc1 230841748 WTJVEZSWVRAHFI-UHFFFAOYSA-N 330.818 5.926 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc(Cl)cc2[nH]1 587065991 CPHKVFDQSJXVQC-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF CC[C@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587206248 BUMYNTWFKILTQF-KBPBESRZSA-N 327.427 5.837 0 1 EKAF FC(F)(F)CCc1ccccc1-c1cc2c3c(cccc3n1)CC2 587210890 YLKIYAUQNUIBGW-UHFFFAOYSA-N 327.349 5.495 0 1 EKAF O=C(c1c(C(F)(F)F)ccc(Cl)c1F)c1coc2ccccc12 587280950 KDEMYRNIRMRWLH-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2O[C@H]2CC3)c1 587366581 UKOJAKMMZADZSV-LAUBAEHRSA-N 343.382 5.043 0 1 EKAF Cc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C)ccc1Br 587623735 NMKYTSUFAWXXBM-UHFFFAOYSA-N 348.671 6.176 0 1 EKAF CC[C@H](C)C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814585 UMQRSYCVXHDXLT-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF CC[C@@H]1CCC[C@@H]([C@@H]2c3ccsc3CCN2Cc2ccco2)C1 962709773 OLPOMZYIRCJGJY-JXXFODFXSA-N 329.509 5.657 0 1 EKAF CCC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C 2356331372 IMFNBOMNWHWKQD-OXSRUOSKSA-N 346.555 5.375 0 1 EKAF CCC=C(C)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356480692 MKULNXUVQXEUEY-XNKSBNDBSA-N 342.479 5.091 0 1 EKAF COc1ccc(O)c2c1C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 3797935 AHDRBWCUVQGBTR-DNEUNLEDSA-N 344.495 5.337 0 3 EKAF in-vitro CCCc1c[nH]c(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)c1 1633552 RYUBHIJMLGAEOC-UHFFFAOYSA-N 326.465 5.456 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1cccc2ccccc12 13733787 GBJIYOPYKJFUKO-UHFFFAOYSA-N 325.415 5.476 0 1 EKAF CC(C)(C)c1cc(C/C=C/c2cccs2)cc(C(C)(C)C)c1O 25984879 JQIYAULCQNVSAA-JXMROGBWSA-N 328.521 6.305 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26498316 FKNZCFYWNHCQGE-BHFHGKGHSA-N 349.518 5.687 0 1 EKAF c1ccc(C[C@H](Nc2nc3ccccc3s2)c2ccccc2)cc1 28010619 XTODZPGNUMVFKH-IBGZPJMESA-N 330.456 5.692 0 1 EKAF CC[C@H](/C=C/c1ccc(OC)c(OC)c1OC)c1cccc(F)c1 28567329 JKRJLLPQEVYALX-ATWMFIQVSA-N 330.399 5.059 0 1 EKAF C/C1=C/CC/C(C)=C/CC/C(C)=C/[C@@H](O)c2cc(O)c(cc2O)C1 39158329 HVZGTYJQAXSGCR-CVVYGQJFSA-N 328.452 5.087 0 1 EKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cccn1 45358160 LFHYSENBDFRQJR-HZPDHXFCSA-N 338.904 5.345 0 1 EKAF Clc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)c(Cl)c1 101030332 URMKVDLYXNAKAF-UKTHLTGXSA-N 329.230 5.326 0 1 EKAF Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 103203873 QYQFEUWSHBUNLR-QHCPKHFHSA-N 326.443 5.659 0 1 EKAF CC/C=C/C/C=C\C/C=C\CCCCCCCc1ccc(C=O)[nH]1 209607424 SBTDAFBYYGSBEE-NSAMXNATSA-N 327.512 6.569 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 253633218 FKNZCFYWNHCQGE-IWAQDRFTSA-N 349.518 5.687 0 1 EKAF Cc1ccccc1O[C@H](CC1CNC1)c1ccc(Cl)c(Cl)c1 299836882 IGFZSDUARCFCFB-GOSISDBHSA-N 336.262 5.031 0 1 EKAF FC(F)(Cl)[C@](F)(Cl)CCSc1nc2ccccc2s1 299863502 PFWBCMJDQQTGOD-JTQLQIEISA-N 346.226 5.515 0 1 EKAF CC(C)Oc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023138 FYJXBBFPMVFPGQ-UHFFFAOYSA-N 335.432 5.141 0 1 EKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 587070193 QKVOQYKYEWCNEU-LBPRGKRZSA-N 349.821 5.141 0 1 EKAF COc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C(F)(F)F)c1 587096886 DEOYUIFLTYAFQT-UHFFFAOYSA-N 348.368 5.555 0 1 EKAF Cc1ccc(NC2(c3nc4ccc(C(C)(C)C)nc4[nH]3)CCCC2)cc1 587237025 KZQJFPWHHQSDNM-UHFFFAOYSA-N 348.494 5.445 0 1 EKAF COc1cccc(-c2c(C)c(C3CC3)nc3c2oc2ccccc23)c1 587364891 FQOUVPGXTVTHCB-UHFFFAOYSA-N 329.399 5.842 0 1 EKAF CCCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524578 OSLJEWOMLBJZQI-HSZRJFAPSA-N 334.459 5.616 0 1 EKAF CCCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533149 UNCNPSUSEJARRW-GOSISDBHSA-N 326.461 5.286 0 1 EKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(F)(F)F)cc1 587630064 PSSKXAZAUZUGKI-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF Cn1ccnc1-c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587632520 YEGFPABSKQXDQQ-UHFFFAOYSA-N 325.774 5.028 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(C)c(Cl)cc2[nH]1 587935229 QWRFEWZZTMGGML-UHFFFAOYSA-N 338.838 5.106 0 1 EKAF c1ccc(C[C@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)cc1 587955136 GBRXCGCCKUIWFI-JOCHJYFZSA-N 348.449 6.091 0 1 EKAF Cc1nc(N[C@@H](C)c2ccccc2)cc(-c2ccc3ncsc3c2)n1 653686880 AESSXTRSSCNWDZ-ZDUSSCGKSA-N 346.459 5.235 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1)Cc1ccc2c(c1)CCCC2 653819820 BYIWTPCSUWNRBP-SNAWJCMRSA-N 325.883 5.364 0 1 EKAF CCCc1ccc([C@]2(CC)c3ccccc3C[C@H](C)N2CCC)cc1 963235044 FKCJALYMXUBPDE-YADARESESA-N 335.535 5.949 0 1 EKAF COc1ccc(C=CCCO[C@]2(C)CC[C@]3(C(C)C)C[C@@H]23)cc1OC 2356600624 RNAXNNLWEJACQM-BHDDXSALSA-N 344.495 5.339 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(CO)C=Cc2cc(O)ccc2O1 2356815981 CXHVJBDAJKBRIR-NRFANRHFSA-N 328.452 5.002 0 1 EKAF Cc1ccc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c1 72141341 BQSVSICLBJSFKX-UHFFFAOYSA-N 346.396 5.550 0 3 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)O)c2c1 3746028 YZVDMFATCGKDLI-LBPRGKRZSA-N 341.838 5.629 0 1 EKAF CC/C(C(=O)O)=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C 13650247 SGXIMFHLTCOFPV-XEZQCVTCSA-N 328.496 6.383 0 1 EKAF Cc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1 14979826 PQAKXMUPSKPASV-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF C=C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]12C 15167511 VIMUOARITKFYIF-XWZZJKMASA-N 346.511 5.205 0 1 EKAF biogenic CN1c2cc3nc(Cl)cc(C(F)(F)F)c3cc2CCC1(C)C 27405676 SDDPHJULYFFMMZ-UHFFFAOYSA-N 328.765 5.068 0 1 EKAF Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc4ccccc4c3)n2)cc1 29411304 HGCWNAJTZAFQDP-UHFFFAOYSA-N 339.394 5.575 0 1 EKAF aggregator CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc(C(=O)O)cc1 39203751 WAMHRCDVXCDEPW-RKACFXBMSA-N 342.479 6.183 0 1 EKAF CO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45367035 AHBQLGGDXGWTBF-HOTGVXAUSA-N 338.904 5.263 0 1 EKAF CN(C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccccc1 49047462 MNGOCFXYBPEJSE-UHFFFAOYSA-N 347.380 5.180 0 1 EKAF C[C@@H]1C[C@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 72185008 KJSWVLBIPGDZQQ-CJNGLKHVSA-N 332.875 5.299 0 1 EKAF CC(C)=Cc1ccc2c(c1)CN(CCC(C)C)C(=O)[C@H](CC(C)C)N2 95581661 IHPYNRRGMASVNJ-NRFANRHFSA-N 342.527 5.325 0 1 EKAF Cc1cc(Br)c2[nH]c(/C=C/c3ccc(C)c(F)c3)nc2c1 587146213 DFVFOGOBCJCLBY-AATRIKPKSA-N 345.215 5.252 0 1 EKAF C[C@@H](Oc1ccc(F)cc1F)C(=O)c1coc2ccc(Cl)cc12 587278667 QNPRGEQOQOXWHO-SECBINFHSA-N 336.721 5.015 0 1 EKAF Cc1ccc(Sc2ncccc2C(=O)c2coc3ccccc23)cc1 587280900 HKBPZRFJILVPPM-UHFFFAOYSA-N 345.423 5.518 0 1 EKAF CCCCCC[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523455 IZKMWUIGQQEDSY-MBSDFSHPSA-N 340.507 6.040 0 1 EKAF O=C1C[C@@H](c2cccc(C3CCC3)c2)Oc2c1ccc1c2CCCC1 587525338 ODZKRSQVFXZPEZ-QFIPXVFZSA-N 332.443 5.539 0 1 EKAF O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2cccc(F)c12 587633863 MEJQUEROCJAJKR-UHFFFAOYSA-N 339.316 5.629 0 1 EKAF C(=C\c1nc2ccccc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587783642 DEMAIYYLGYRWJP-QINSGFPZSA-N 326.399 5.312 0 1 EKAF CCCCCc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963111598 QUVXOPYJTWTGEM-FYYLOGMGSA-N 337.482 5.668 0 1 EKAF CSc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1 1772570334 OJSCMOXGLFCGOP-UHFFFAOYSA-N 327.452 6.291 0 1 EKAF CO[C@@H]1CC=C(C)CCC=C(C)CC[C@H]2[C@H](C=C1C(=O)O)C2(C)C 2356418042 VWXXNOHWGGYBTR-GBESFXJTSA-N 332.484 5.141 0 1 EKAF Fc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1 2500411 ZNCXXUBFZHSBPX-UHFFFAOYSA-N 335.407 5.110 0 1 EKAF COc1cc(-c2cccc(C(F)(F)F)c2)sc1-c1cccnc1 28816790 KCZHEUTYKIRBJU-UHFFFAOYSA-N 335.350 5.505 0 1 EKAF C[C@H]1C[C@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 72185009 KJSWVLBIPGDZQQ-BBRMVZONSA-N 332.875 5.299 0 1 EKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2C(C)(C)CCC[C@]21C 238777457 VRKVFZPBPWKMBN-IBFIKGQLSA-N 344.627 7.862 0 1 EKAF C[C@H](CO)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)O 263614192 CBZPGRKSSXCZLI-YRXWBPOGSA-N 328.537 5.509 0 1 EKAF in-vitro Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587067500 DCXZQQPMDFQPHX-GFCCVEGCSA-N 343.858 5.357 0 1 EKAF CCC[C@@H](O)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587102582 XYSXPDPOTQZHLD-GOSISDBHSA-N 345.442 5.151 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CCCC[C@@H]31)CC2=O 587483325 QBYCMUMEJFCUPM-XXHMAFKTSA-N 328.452 5.039 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc([C@@H](C)CC)cc12 587639810 CZCHISSUSXNNMV-LBPRGKRZSA-N 346.301 7.218 0 1 EKAF CCCC[C@H](CC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818237 HAAZVKXCACVLFN-NVGCLXPQSA-N 342.296 5.380 0 1 EKAF CCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818556 INEWGMDIYCSHJD-MEDUHNTESA-N 328.269 5.134 0 1 EKAF CC(C)=CCC[C@@H](C)C=Cc1c(O)c(C)cc2c1[nH]c1ccccc12 2356618015 AFFKSIAKZKNCNU-MRXNPFEDSA-N 333.475 6.731 0 1 EKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)ccc32)cc1 13829702 YXJPSGXLAJUYFS-VXKWHMMOSA-N 346.426 5.360 0 1 EKAF Cc1cc(/C=C/c2ccc(CO)cc2)c2c(C)ccc(C(C)C)cc1-2 26843119 AUYFTJKFJWHZPT-ZRDIBKRKSA-N 330.471 6.194 0 1 EKAF Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)s1 28712386 YEDIKBZDBJLWFU-UHFFFAOYSA-N 348.427 5.041 0 1 EKAF CCCCCc1c(C(C)C)nc(C(C)C)c(C)c1-c1ccccc1O 28756592 LAGPMEYYZNUVKD-UHFFFAOYSA-N 339.523 6.742 0 1 EKAF CCc1c(C)[nH]c(=O)c(-c2ccsc2)c1Oc1cc(C)cc(C)c1 28818724 FCXCFZYUEUVNAK-UHFFFAOYSA-N 339.460 5.383 0 1 EKAF CCNC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C 29565826 WKYDOCGICAMTKE-HAPIZUAHSA-N 327.512 5.654 0 1 EKAF Cn1c(CCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96914898 RECBORVEDSMNPQ-UHFFFAOYSA-N 338.454 5.539 0 1 EKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccccc4)oc23)O1 96932802 QMQZPXCHVOUFNH-UHFFFAOYSA-N 329.399 5.752 0 1 EKAF C[C@@H]1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2CCCCC1CCCCC1 146357991 BXASUTAMQDGXLM-YGOYIFOWSA-N 339.567 5.961 0 1 EKAF CC(C)(C)[C@H]1CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 169343279 PTXFSRFFVSYMDW-AJSBUHFISA-N 345.530 5.730 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccnc3Cl)nc3cccc1c23 587104495 SFGIJTJHFVWWAX-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF Cc1c(CCCC(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587206020 JHUWJCGNDSXQEB-UHFFFAOYSA-N 329.443 5.733 0 1 EKAF CC1=CCCC(C)(C)[C@H]1CC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404025 TVVNSICCNKEVBQ-JTSKRJEESA-N 341.495 5.464 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCC13CCCCC3)O2 587407709 KGOHBBQMLFZZBP-OAQYLSRUSA-N 327.468 5.196 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3ccccc13)CC2=O 587489174 NDNZPZPWSDBGTN-QHCPKHFHSA-N 346.426 5.379 0 1 EKAF O=C1C[C@H](c2cccc3c(F)cccc23)Oc2c1ccc1c2CCCC1 587506738 LKLWNWHZIANXDW-JOCHJYFZSA-N 346.401 5.564 0 1 EKAF CCCCC[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522091 HHKJONTWQXTFDB-JOCHJYFZSA-N 328.496 5.896 0 1 EKAF Cc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587523230 HROBATKFKXGOOU-OAQYLSRUSA-N 331.415 5.062 0 1 EKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cccc(F)c12 587636725 FZOMTVBDCAWEDX-HNNXBMFYSA-N 332.419 5.078 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)c1 587930613 DYHZMWJEUUYUQM-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)([C@@H]2C[C@H]2c2cccs2)N1 962945038 IQIRUMKVBMGSQT-UWBHQEEUSA-N 336.504 5.173 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(F)c(F)cc1Cl 963221856 AYWVGWYVTLTFAX-RNODOKPDSA-N 349.852 5.538 0 1 EKAF FC(F)(F)c1cc(-c2ccc3c[nH]nc3c2)cc(C(F)(F)F)c1 1857745089 PFFDBYIYAAUZNX-UHFFFAOYSA-N 330.231 5.268 0 1 EKAF COc1cc(O)cc2c1O[C@@](C)(CCC=C(C)CCC=C(C)C)CC2 2356489513 AGTZADIUWFBQKI-QFIPXVFZSA-N 344.495 5.957 0 1 EKAF CC(=O)[C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C[C@@H]3CC[C@]12C 2356649680 UYVUOOUMEBCKNW-UQMUQKMUSA-N 330.512 5.194 0 1 EKAF Oc1ccccc1-c1nc2c(-c3nc4ccccc4o3)cccc2o1 26967716 BWIAELBERGMNOD-UHFFFAOYSA-N 328.327 5.009 0 1 EKAF CCc1cccc(NC(=N)Nc2cc(SC)cc(CC)c2Cl)c1 27427242 WKDBWXNZQNUEQM-UHFFFAOYSA-N 347.915 5.645 0 1 EKAF CCC[C@H](C)C[C@H](C)/C=C(C)/C=C(\C)c1oc(=O)c(C)c(O)c1C 85549547 SAHYKMIMGJKBCR-TYHQGDIHSA-N 332.484 5.774 0 1 EKAF Cc1ccc([C@H]2Nc3c(C)cccc3C(=O)N2c2ccccc2)s1 95584149 REWAUGRSTYZAMK-IBGZPJMESA-N 334.444 5.136 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccs3)cc21 143411096 CGLJTLCQPJFDGB-KRWDZBQOSA-N 332.346 5.194 0 1 EKAF CCCCCN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@H]2C 299846986 OTRKZQOEFYWPGZ-PUZWTLIVSA-N 349.518 5.135 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cccc(Cl)c2[nH]1 587049463 LSWWINWCOCQBQU-RKDXNWHRSA-N 337.637 5.794 0 1 EKAF Cc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Cl 587081154 TZYJMQQZMVPGFB-UHFFFAOYSA-N 330.218 5.181 0 1 EKAF Cc1ccc2c(ccc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c32)n1 587085665 ZYQORQVORZMZCE-UHFFFAOYSA-N 344.805 5.288 0 1 EKAF Cc1ccc2c(ccc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c32)n1 587097122 FGQYJSCPTRHSET-UHFFFAOYSA-N 345.299 5.244 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097601 LQKVWSUWEJNKJK-UHFFFAOYSA-N 336.332 5.685 0 1 EKAF CCc1cnccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105987 IVRVZIAPOIVLNP-UHFFFAOYSA-N 336.394 5.071 0 1 EKAF Cc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164740 VWJYOOUGGDETPH-FOWTUZBSSA-N 334.419 5.661 0 1 EKAF CCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356780 RSJJEFBOVZZIKO-CTNGQTDRSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@H]1C(C)C 587480394 JWGGWKZNOXMLBD-LFRPXUGBSA-N 330.468 5.141 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)o1)CC2=O 587482962 PSSGCPUCEPREAG-OAQYLSRUSA-N 348.398 5.311 0 1 EKAF C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587520686 BHPPZPYGJFWDPZ-DEOSSOPVSA-N 342.438 5.599 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(N(C)C)cc3)c2c1 587640464 AOHDTEQCPALSJF-AWEZNQCLSA-N 349.478 5.308 0 1 EKAF Cc1cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587783674 FAAQMKGXMDLCAT-FMIVXFBMSA-N 341.414 5.016 0 1 EKAF Cc1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1C 587920078 CVJIREBALFOERI-UHFFFAOYSA-N 330.456 5.885 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cncc(Cl)c3[nH]2)cc1 587959018 KOXMOUNEGQTOBT-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF Cc1cc2c(cc1F)[C@@](c1c(C)cccc1C)(C(C)(C)C)NCC2 962148125 RDINQAPPPUFYNL-JOCHJYFZSA-N 325.471 5.186 0 1 EKAF Cc1cc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c(F)c1 1772652218 BGUMRDPRUMGGKQ-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]21)C[C@@]54C 2356511079 WYLVTNMKAPOYHN-QWVBCHCGSA-N 330.512 5.208 0 1 EKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)O 2356556729 MGUZOUCQDDHSGO-NRFANRHFSA-N 346.511 5.744 0 1 EKAF CCCCC[C@@H]1C[C@H](C)[C@@H](CCCCCCCCC(=O)OC)O1 2356562098 OEIUOZJQHYRZJK-IPMKNSEASA-N 326.521 5.654 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@]2(C)C1 14410342 VCHOJBNJCIADHY-JBPLPALLSA-N 330.512 5.683 0 1 EKAF biogenic CCCCC[C@@H](O)CC/C=C\CCCCCCCCCC(=O)O 26577381 PSCHFNUUMNHLGK-ZMOVQZPESA-N 326.521 5.860 0 1 EKAF CCCCc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1 27523266 QJBHFBKDZBJXMA-UHFFFAOYSA-N 330.435 5.506 0 1 EKAF CCCCc1ccc(Oc2ccc(C)cc2Cl)c(CC(=O)O)c1 28765783 PZBJHBOHVZZPIL-UHFFFAOYSA-N 332.827 5.410 0 1 EKAF Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc3ccccc23)s1 29129813 DXODCHLUKBYERI-UHFFFAOYSA-N 343.666 5.493 0 1 EKAF CC(C)[C@@H](c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1)N(C)C 36161031 VSFMHPZXLZUXGT-NRFANRHFSA-N 337.442 5.142 0 1 EKAF CCOc1ccc(-c2nc(CN3c4ccccc4CC[C@@H]3C)co2)cc1 72183452 YXQXTQGLOUXQGI-INIZCTEOSA-N 348.446 5.082 0 1 EKAF Fc1ccc(-c2cc(NCc3cccc4ccccc34)ncn2)cc1 82161262 XVYPXVICCHRKRR-UHFFFAOYSA-N 329.378 5.048 0 1 EKAF Cc1ccc([C@@](Cc2ccccc2)(SCCN)c2ccccc2)cc1 84706613 TZCLXJBTBXHZCS-QHCPKHFHSA-N 347.527 5.173 0 1 EKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994204 PPOUXGWJFYPQBX-UHFFFAOYSA-N 343.407 5.189 0 1 EKAF CCc1cc(OCc2nc3cc(Cl)cc(C)c3[nH]2)ccc1Cl 587052490 CGJCZCYGTCHKGZ-UHFFFAOYSA-N 335.234 5.320 0 1 EKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Cl 587109348 MQOVQARWCYIIQN-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF COc1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1OC 587153213 NWIUVDWIHICULN-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153501 SQWNYHUCNSMKTP-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF Cc1nccc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587164520 SXSFYQTXFYWFHC-PTNGSMBKSA-N 335.407 5.056 0 1 EKAF Cc1ccc([C@@H](C)c2cnc3cccc4c3c2-c2ccccc2C4=O)o1 587207885 YMSNGGXPLZPKAN-AWEZNQCLSA-N 339.394 5.499 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(ccn3CC)c1)CC2=O 587476908 SDPONVLIQZGDIP-OAQYLSRUSA-N 349.430 5.026 0 1 EKAF CC(C)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524455 QSFLNISYSXRMKK-NRFANRHFSA-N 336.431 5.059 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccccc3Br)c2c1 587639458 WQDUPKXBRDZECW-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ncccn3)c(C3CCCCC3)c2c1 587644043 LNMKJSRRDMYVOM-HNNXBMFYSA-N 333.479 6.186 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCCCC2)N1 587821516 VGLCIQRYBZUSBE-MEDUHNTESA-N 340.280 5.134 0 1 EKAF Fc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)c(Cl)c1 587920271 GUOUGSOUUYOVDU-UHFFFAOYSA-N 338.234 5.847 0 1 EKAF CCCCCc1cn(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)nn1 1857651718 RWNCLLIABLIXAV-QLLAZZGXSA-N 343.559 6.430 0 1 EKAF C=CC(C)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]1(C)O 2356512853 HGALRQOZWPGLJI-XUJOWKJQSA-N 348.527 5.044 0 1 EKAF CC(=CC=C[C@H](C)C=CCC(C)C)CC[C@H]1C=C(C(=O)O)CCC1 2356561103 POOTZJVXDGHNMQ-QUCCMNQESA-N 330.512 6.319 0 1 EKAF CCCCC[C@@H]1C[C@@H](C)[C@@H](CCCCCCCCC(=O)OC)O1 2356562096 OEIUOZJQHYRZJK-GUDVDZBRSA-N 326.521 5.654 0 1 EKAF c1cc2ccn(CC3CC3)c2cc1-c1ccc2ccn(CC3CC3)c2c1 200474727 XEHPTWZTIQDFSG-UHFFFAOYSA-N 340.470 6.083 0 3 EKAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4ccoc4cc3OC[C@@H]21 5854613 VAVHXRDWDOYXSV-JTSKRJEESA-N 348.398 5.257 0 1 EKAF biogenic CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 13302977 SNKPCSRNBVWIIG-FKBYEOEOSA-N 328.496 5.383 0 1 EKAF biogenic CCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1 13474633 DREMCOHKCICYCA-UHFFFAOYSA-N 348.450 5.204 0 1 EKAF CC[C@H](C)OC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 13680287 KBCPRWWVTWWYJN-ZDUSSCGKSA-N 325.433 5.274 0 1 EKAF CCc1nc2c(-c3ccc(OC)cc3C)ccnc2n1[C@H](CC)C1CC1 26725746 FEHSXCRGIMTPQK-LJQANCHMSA-N 349.478 5.339 0 1 EKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1CC=CC[C@H]1C(C)(C)O2 26984377 LKLPFIQXMZIEMA-RBUKOAKNSA-N 340.507 5.965 0 1 EKAF CCN(CC)C(=O)C[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 29413015 ZGTJEZOTMJMBSR-QZTJIDSGSA-N 339.479 5.189 0 1 EKAF CNCc1ccc(Cl)cc1Oc1ccc(F)c(C(F)(F)F)c1 40845428 GHUHMNXJEGXLAR-UHFFFAOYSA-N 333.712 5.010 0 1 EKAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 40940213 QDSWHJNTSPBQME-NXXWWENFSA-N 330.468 5.164 0 1 EKAF c1ccc(OCCCCOC2c3ccccc3Oc3ccccc32)cc1 43022857 NEQUXLNOBLBJMF-UHFFFAOYSA-N 346.426 5.758 0 1 EKAF Fc1cccc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82068339 ZPSPSOBUZUUTAB-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)o1 586903290 NTGKBFSXMDDTFD-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF COc1ccc2nc(-c3nc4c(C(C)(C)C)cccc4[nH]3)sc2c1 587035202 NEXZZLPAPNDAAA-UHFFFAOYSA-N 337.448 5.146 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587148275 AKSCRMSTKYUQJD-OAQYLSRUSA-N 345.421 5.520 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250534 LFIRCOVNPOADLT-UHFFFAOYSA-N 341.458 5.777 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)c3ccccc13)CC2=O 587482699 PKHMCACKGYTCIH-QFIPXVFZSA-N 346.426 5.513 0 1 EKAF Fc1ccc(F)c(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)c1 587922761 ZXZXMTQTKGYNLJ-UHFFFAOYSA-N 331.431 5.556 0 1 EKAF CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 1772630428 RENIEDOXYLFLOO-UHFFFAOYSA-N 345.490 5.431 0 1 EKAF COC(=O)C=C(C)CCC=C(C)CCC=C(C)[C@H](O)CC=C(C)C 2356608171 HCXCHLMRBYGRPU-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF Cc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1 36380610 SWQTVRHLJBLDEB-UHFFFAOYSA-N 331.444 5.279 0 3 EKAF COc1cccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)cs2)c1 61903060 QUMRHRXTVSZZFG-HXUWFJFHSA-N 347.439 5.054 0 3 EKAF CC(C)=CCc1c(O)ccc2c1O[C@@H]1c3cc4ccoc4cc3OC[C@H]21 5854625 VAVHXRDWDOYXSV-VGOFRKELSA-N 348.398 5.257 0 1 EKAF biogenic O=C(O)CC1=C/C(=C\c2cccc3ccccc23)c2ccc(F)cc21 40379708 FMXDBQMROQRIEH-MHWRWJLKSA-N 330.358 5.391 0 1 EKAF CC(C)=CCC/C(C)=C/Cn1c2ccc(C)cc2c2ccc(O)cc21 206058538 JIWUPAOYMJVXBV-SFQUDFHCSA-N 333.475 6.501 0 1 EKAF CO[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@@H]1Cc2ccccc2O1 238746715 XMEKRGPWDVRQKA-MXPIJWRHSA-N 340.463 5.266 0 1 EKAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C/C=C(\C)CC/C=C/1C)CC[C@@]2(O)C(C)C 238762866 LCCFAMBWEWEJKL-ARGGNKMWSA-N 348.527 5.188 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586964462 ZZLXZPUXTUDZSA-QMMMGPOBSA-N 340.345 5.114 0 1 EKAF Fc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587051420 SLFXKRWNIXAUKZ-HTQZYQBOSA-N 339.172 5.419 0 1 EKAF Clc1ccccc1-c1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)co1 587061787 YTHUYSYDWIGCDW-UHFFFAOYSA-N 349.821 5.417 0 1 EKAF CC[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099968 BPEQTWSFRRIIBL-CQSZACIVSA-N 327.427 5.270 0 1 EKAF Cc1cc(-c2nc3cccc4c3c(c2C)CC4)ccc1Br 587208334 QFAZXDMPYJJSBU-UHFFFAOYSA-N 338.248 5.380 0 1 EKAF CCCCCC[C@@H]1CCC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587478277 FKRPJUFYVCYCFK-OPAMFIHVSA-N 344.495 5.819 0 1 EKAF C[C@]1(C2CCC(F)(F)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587503667 IKUHARFEGVCMMN-LJQANCHMSA-N 334.406 5.115 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(C)c2c1 587643130 ZDYHJULBWUBHSR-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF CCCOc1cc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2cc1Br 587967032 KORBSNAWBZRKBH-VXGBXAGGSA-N 349.272 5.184 0 1 EKAF CC(C)C(=O)[C@H]1CCCC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962667668 NWPKHQZBJWOGHC-VWNXMTODSA-N 347.502 5.110 0 1 EKAF Oc1ccc(Cl)cc1-c1cc(-c2cc3ccccc3s2)n[nH]1 1857561372 WCPGYDYMCJCZRH-UHFFFAOYSA-N 326.808 5.317 0 1 EKAF O=C(O)CCC(=O)c1cc(C2CCCCC2)ccc1C1CCCCC1 1857630272 ROZAYZOPYVBBCD-UHFFFAOYSA-N 342.479 5.830 0 1 EKAF Clc1ccc(Nc2nc3c(s2)[C@@H](OC2CCCC2)CCC3)cc1 1857655348 XAFOKHHYAHLNRC-INIZCTEOSA-N 348.899 5.877 0 1 EKAF Nc1ccc(C(F)(F)F)cc1-c1cccc2c1[nH]c1ccccc12 1857756385 OPFUDTKBHSRGFG-UHFFFAOYSA-N 326.321 5.589 0 1 EKAF CC(=O)O[C@@H]1CC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C=C1C 2356385538 PTGSYIPWFAXRLD-BRKWEVRTSA-N 348.527 5.354 0 1 EKAF CC(C)c1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2 12726475 BUJSFGMCRDLJKH-UHFFFAOYSA-N 330.840 5.341 0 3 EKAF CCCCOC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 13680284 DLDIUJHBSBYIRU-UHFFFAOYSA-N 325.433 5.276 0 1 EKAF COc1ccc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 25990778 KEMYDSIZEFZYSK-CMDGGOBGSA-N 338.491 6.166 0 1 EKAF Cc1c(C(=O)c2ccccc2)oc2cc(-c3ccccc3)cc(O)c12 27089525 PXYJHNFHVSJDSV-UHFFFAOYSA-N 328.367 5.345 0 1 EKAF CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1 29049915 UNZWUCCAARAPNJ-UHFFFAOYSA-N 327.424 5.266 0 1 EKAF in-vivo COc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 72110036 DAIMPQROONYPRP-JOCHJYFZSA-N 339.479 5.024 0 1 EKAF Cc1ccc(Nc2nncc3c(-c4ccc(O)cc4)cccc23)cc1 73239801 WRSYCAPFKMIFHZ-UHFFFAOYSA-N 327.387 5.054 0 1 EKAF NC1(c2ccc(-c3ncc4cccn4c3-c3ccccc3)cc2)CCC1 84709015 QLMXZXJYKSBDBE-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccccc1 100632697 ZPGPTWHKZBMVBI-QFIPXVFZSA-N 346.430 5.253 0 1 EKAF Cc1cc2c(cc1C)N[C@H](c1ccccn1)C1=C(O)CC(C)(C)CC1=N2 102664621 YBOCYKXDJUXDCE-OAQYLSRUSA-N 347.462 5.570 0 1 EKAF CCCCN(CCCC)C[C@H](O)c1ccc(Cl)c2c(C)ccnc12 169338288 XEFGAPDDWUBGQQ-SFHVURJKSA-N 348.918 5.132 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccn2)c2c(n1)-c1ccccc1C2 473249384 WEVCLZOPCZMQAB-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Cc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1F 587163376 ILBRPULKMJXZIB-UHFFFAOYSA-N 326.371 5.545 0 1 EKAF CCCCC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814566 UJYQGMRKTFLNNJ-PXAZEXFGSA-N 342.296 5.308 0 1 EKAF CN(C/C=C/c1cccc(C(F)(F)F)c1)Cc1cccc2cc[nH]c12 1772635611 JAZXXNSRKFZBJF-GQCTYLIASA-N 344.380 5.332 0 1 EKAF COc1ccccc1-c1sc2ccccc2c1-c1ccc(O)cc1 61969042 FESBWHDIQUMUOU-UHFFFAOYSA-N 332.424 5.950 0 3 EKAF CC1(C)OC(=S)Nc2ccc(-c3cccc(Br)c3)cc21 13488844 WYHOTGLZCWQZME-UHFFFAOYSA-N 348.265 5.078 0 1 EKAF C[C@H](CC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826842 WFXGFQNNLYOETN-MRXNPFEDSA-N 345.467 6.010 0 1 EKAF in-vivo CC[C@H](C)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1 39214808 NKECNIUTWFATFL-ZDUSSCGKSA-N 330.435 5.677 0 1 EKAF COc1ccc(-c2sc3ccccc3c2Oc2ccccc2)cc1 45353408 MBYFMALQYBCKHQ-UHFFFAOYSA-N 332.424 6.369 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@H]1CS1 299846313 KEUSUQKYRBAZTR-KFEVXASFSA-N 332.553 5.042 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)c(F)cc3[nH]2)cc1 586898688 KYHNJEPGMNZILA-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077510 ZYENCDKPJPHXTN-UHFFFAOYSA-N 349.821 5.268 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1 587079104 GDIICXKKYAPOIZ-SSDOTTSWSA-N 343.645 5.358 0 1 EKAF c1ccc(Oc2ccc3c(c2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587214578 SJADCCVWPNJRTI-UHFFFAOYSA-N 349.433 5.891 0 1 EKAF O=C(c1cc(F)c(Cl)nc1Cl)c1coc2ccc(Cl)cc12 587279071 VJGHOMUSVXZXMZ-UHFFFAOYSA-N 344.556 5.158 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1c(Cl)cccc1Cl 587628987 XGOFGZCTQIVONR-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c(C)c1 587631471 NDSWTTFLQBUOLV-UHFFFAOYSA-N 344.817 5.446 0 1 EKAF Cc1cc(F)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(Cl)c1 963102676 DUIZVIGBJMQEHZ-MRXNPFEDSA-N 344.644 5.329 0 1 EKAF CC1=C(C[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)C(C)(C)CCC1 963118868 XVWCULCITWRUOR-GHTZIAJQSA-N 327.487 5.804 0 1 EKAF CC=C(C)CCCCCCCC=CC=CC=CC[C@H](O)CC(=O)O 2356820934 FPUNLEAKMBDJNH-FQEVSTJZSA-N 334.500 5.578 0 1 EKAF CCCCC=CCCCCCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1C 2356867914 WXKNMMWRWQMSDF-VSKRKVRLSA-N 347.587 6.296 0 1 EKAF Cc1ccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)cc1C 61904128 ZZADLUZTBONKTM-QGZVFWFLSA-N 329.852 5.162 0 3 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/[C@@H](O)CCC(=O)O 27643163 IFRKCNPQVIJFAQ-ITDPGULPSA-N 344.495 5.520 0 1 EKAF in-man Cc1cc(-c2ccccc2Cl)cc2nnc(Nc3ccccc3)nc12 35930503 XHHLNXGRCATNDA-UHFFFAOYSA-N 346.821 5.397 0 1 EKAF Clc1ccc(CNc2cc(Oc3ccccc3Cl)ncn2)cc1 38462866 IONPLJPIYHMFIY-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF COc1ccc2cc([C@@H](C)CCN(C)Cc3ccccc3)ccc2c1 45365580 JMYRECYSHPHFSC-SFHVURJKSA-N 333.475 5.474 0 1 EKAF Cc1cccn2c(NC3CCCC3)c(-c3ccccc3Cl)nc12 117668491 PURZODYEVSLKCR-UHFFFAOYSA-N 325.843 5.318 0 1 EKAF FC(F)(F)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1 299863469 PBAJHLVQKDGFHP-UHFFFAOYSA-N 343.348 5.389 0 1 EKAF CCc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1CC 586880881 UEMVFHCLMGUBLW-UHFFFAOYSA-N 343.268 5.426 0 1 EKAF CC(C)c1cc(-c2nc3cc(F)cc(F)c3[nH]2)c(O)c(C(C)C)c1 586896547 NWSVNPNEXSQUKB-UHFFFAOYSA-N 330.378 5.461 0 1 EKAF O=C1c2ccccc2-c2c(C3CCCCC3)cnc3ccc(O)c1c23 586992731 YRHZVOHFRDDTJW-UHFFFAOYSA-N 329.399 5.200 0 1 EKAF Clc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)O2 587080409 MPPDVHVDXWKFMI-ZDUSSCGKSA-N 339.609 5.199 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083340 PEFONUQPZCIHTO-UHFFFAOYSA-N 342.229 5.702 0 1 EKAF Clc1cc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2cn1 587085374 PZLKBHGCTQEQTA-UHFFFAOYSA-N 333.822 5.310 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CCCC[C@H]31)CC2=O 587483319 QBYCMUMEJFCUPM-SOIKWTOOSA-N 328.452 5.039 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587507556 RFQXQXFJJDBBBJ-SFHVURJKSA-N 330.786 5.064 0 1 EKAF CCCCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520601 ANGJWPHPOIGENB-XMMPIXPASA-N 348.486 6.006 0 1 EKAF CC(C)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C 587526790 SERVZBLBKUIZHH-ZWWNWMABSA-N 326.480 5.362 0 1 EKAF Cc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587527864 VDPJRKVKIFKRDX-JOCHJYFZSA-N 343.426 5.129 0 1 EKAF Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c1 587627188 PCCAQDGQGKYYSK-UHFFFAOYSA-N 326.827 5.307 0 1 EKAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628198 JAIAPVAWULPJMB-UHFFFAOYSA-N 336.237 6.328 0 1 EKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2Sc2ccccc2)cc1 587634924 VEIPTCJHPIPFNQ-UHFFFAOYSA-N 337.394 6.264 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(C)c2c1 587642522 TZNILXDAWYGRLL-GFCCVEGCSA-N 327.855 6.319 0 1 EKAF CCC[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814982 XIBJHAVOFIJJJH-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1 587934975 JRDYMJNIUTZYJD-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF CC1(C)CCc2ccccc2[C@@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963102731 FZIXIPXOTYMDPJ-DVECYGJZSA-N 349.493 5.452 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356614583 ABMHRZWSHXQICN-VMBXEPDQSA-N 348.527 5.046 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCOC[C@@H](O)CO 15261828 CBKUIYYARLOKAP-SFTDATJTSA-N 344.580 5.474 0 1 EKAF biogenic CN(C)CCSc1nc2ccc(Cl)cc2cc1-c1ccccc1 26385018 OJOJOPAQWGVLDB-UHFFFAOYSA-N 342.895 5.209 0 1 EKAF CC(C)(C)/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568343 GJYCOULXILNZBK-ICKXTQGPSA-N 340.507 5.192 0 1 EKAF in-vivo COC(OC)[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]21 34504293 AIJJLLDYGXOWRN-CEMLEFRQSA-N 346.511 5.145 0 1 EKAF biogenic Clc1ccc(N2CCN(Cc3ccccc3)[C@H]2c2ccccc2)cc1 38244173 SLGWPIZHOAGQGG-JOCHJYFZSA-N 348.877 5.361 0 1 EKAF Clc1ccc(-n2c(Cn3ccnc3)cc3ccc(Cl)cc32)cc1 95589454 UYVTVAYLMYSRTG-UHFFFAOYSA-N 342.229 5.182 0 1 EKAF C[C@@H]1[C@@H]2Cc3ccc(Cl)cc3[C@]1(C)CCN2Cc1ccccc1 100719876 SFRKZPDHORQPCB-GQWLDOHISA-N 325.883 5.064 0 1 EKAF Cc1cccc(-c2nc3c([nH]2)c2c(c4ccccc43)OC(C)(C)CC2)c1 100941223 CENSEWSEQWDFSE-UHFFFAOYSA-N 342.442 5.795 0 1 EKAF Cc1nc(Cl)n(-c2ccc(Cl)cc2)c1-c1c(F)cccc1F 115190120 OBDVFSSWQBNVPS-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586891478 RFOVFLNPKLKRQJ-NOZJJQNGSA-N 336.279 5.504 0 1 EKAF CCc1oc2ccccc2c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586903048 GOIYURRMVBCJIZ-UHFFFAOYSA-N 332.190 5.240 0 1 EKAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc3ncccc3c2[nH]1 587052664 GYMJFPDBBWQEPN-UHFFFAOYSA-N 344.805 5.222 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587052891 RPBLILRHMBLNLE-UHFFFAOYSA-N 349.865 5.972 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccco1)CC2=O 587476551 CUMVEZSYJSIIQV-NRFANRHFSA-N 348.398 5.311 0 1 EKAF C[C@]1(Cc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502848 FXHPQIGBPHOTRD-NRFANRHFSA-N 340.850 5.185 0 1 EKAF C[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524528 OEKNPULKZLMGHI-XMMPIXPASA-N 342.438 5.599 0 1 EKAF CCC[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526767 RXBBMIQBLWHSFM-JOCHJYFZSA-N 326.480 5.650 0 1 EKAF CCCCC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814567 UJYQGMRKTFLNNJ-SJCJKPOMSA-N 342.296 5.308 0 1 EKAF CCCC/C=C/c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587966807 XVQZZGZWMLXDMR-AATRIKPKSA-N 336.279 5.804 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)c(C)c(C)c2[nH]1 587970178 ZMGIFZLDVHHGBH-FMIVXFBMSA-N 347.300 6.092 0 1 EKAF CC(C)=CCCC(C)=CCn1c2ccc(C)cc2c2ccc(O)cc21 2356412987 JIWUPAOYMJVXBV-UHFFFAOYSA-N 333.475 6.501 0 1 EKAF c1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1 510330 OVQQAENDNFDMFR-UHFFFAOYSA-N 348.409 5.354 0 3 EKAF aggregator COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13829886 HBMXHMNJNJKXGF-YADHBBJMSA-N 344.454 5.968 0 1 EKAF CCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 14946946 PFMMKGGPOLDMEE-WNYLPTBCSA-N 344.583 6.507 0 1 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccsc3)[C@@H]12 18099458 JDQTXMIXVPJBIO-YLJYHZDGSA-N 347.464 5.528 0 1 EKAF CCCCC[C@H](O)c1cccc(OCCCCCCCC(=O)O)c1 26577585 QSTIGUOALKRIPI-IBGZPJMESA-N 336.472 5.104 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)(C)C)C4)-c1ccccc1C2=O 587100479 LEHWFTIFYURSKM-QGZVFWFLSA-N 327.427 5.440 0 1 EKAF COc1cccc(-c2cc(C3(C)CC3)nc3c2oc2ccccc23)c1 587366052 PPNSAOHMAGSIJD-UHFFFAOYSA-N 329.399 5.708 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501492 AVLRILCBAKLZHD-SFHVURJKSA-N 347.241 5.579 0 1 EKAF C[C@@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532653 MMTPMYHPWBKWHY-QFIPXVFZSA-N 332.399 5.192 0 1 EKAF O=C(c1ccc(F)cc1)c1c(-c2ccccc2O)[nH]c2cccc(F)c12 587634860 UWDLDHWHOZIHEO-UHFFFAOYSA-N 349.336 5.050 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(OC(C)C)cc2[nH]1 587950688 BZPRSFQHMVHEMS-KHYOSLBOSA-N 330.472 5.397 0 1 EKAF C/C(=C/c1nc2cc(Br)cc(C)c2[nH]1)C1CCCCC1 587966631 CTSSXGYBEVPHHI-LUAWRHEFSA-N 333.273 5.617 0 1 EKAF Fc1ccc2cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)[nH]c2c1 962665520 IMBRTDMIQFNAAA-HSZRJFAPSA-N 342.417 5.209 0 1 EKAF CCC(CC)c1ncc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)s1 963117891 ZMRKGUPUDSREKG-QFBILLFUSA-N 344.499 5.296 0 1 EKAF CC(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@H]1[C@H](C)CCC=C(C)C 2356628769 DLXQSJNIDUQUJQ-BAGYTPMASA-N 332.528 6.383 0 1 EKAF COC(OC)[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]21 38238039 AIJJLLDYGXOWRN-KSEOMHKRSA-N 346.511 5.145 0 1 EKAF biogenic CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccccc1Cl 96922682 IVFPOLVYGMGRKB-JKBKZWBZSA-N 338.834 5.040 0 1 EKAF CCC/C=C\CC/C=C/C=C\CC/C=C\C=C\C(=O)NCC(C)C 238756041 DSXKRJBQUCPJOW-FEDLOLLASA-N 329.528 5.900 0 1 EKAF Cc1ccc(-c2cn3nc(Cc4ccc(Cl)cc4)sc3n2)cc1 299825789 CHFDRBDJCQWZCV-UHFFFAOYSA-N 339.851 5.010 0 1 EKAF CC[C@H]1CC[C@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991119 IYSIHCOULVQQIE-STQMWFEESA-N 343.426 5.543 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccc4cc[nH]c34)nc3cccc1c23 587106771 MXHNGHLYYASNLJ-UHFFFAOYSA-N 346.389 5.595 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c(C)c(C)[nH]c13)CC2=O 587481588 GVJJSQANDNJUJH-HXUWFJFHSA-N 349.430 5.149 0 1 EKAF O=C1C[C@@H]([C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587521960 DSFNKJXIRNUKEG-UGKGYDQZSA-N 332.443 5.019 0 1 EKAF CC(C)(C)[C@@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587524681 LVZIXEUQAPZECQ-UZUQRXQVSA-N 340.507 5.896 0 1 EKAF CC(C)c1ccc(C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528248 ZUWYHHVFVVIJCH-LJQANCHMSA-N 334.459 5.265 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c(-c3ccccn3)c2c1 587643193 BRZQISFVSQXRHN-HNNXBMFYSA-N 327.431 5.805 0 1 EKAF Cc1ccc(-c2csc(-c3cccc(Cl)c3Cl)n2)cc1C 587920419 HJQDHXDNMOLNSE-UHFFFAOYSA-N 334.271 6.401 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1C1CCCCC1 963241748 NXTPYNVKHXSTHP-DFBJGRDBSA-N 347.546 6.480 0 1 EKAF CC[C@@H](C)CCCCCCCCCCCCCCC[C@@H](O)CO 2356393642 OTUCJSRSPDSAQO-NHCUHLMSSA-N 328.581 6.237 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c(C(=O)CC(C)C)c1O 2356437204 KVICTUDUJSJNSA-UHFFFAOYSA-N 346.467 5.267 0 1 EKAF C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1891052 JMPZTWDLOGTBPM-XRYBSMBUSA-N 340.507 6.272 0 1 EKAF investigational CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccccc1 3779565 ULFIJMOTDRIEPH-XMMPIXPASA-N 340.470 5.253 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 14511565 QUYGEGSOVYMIEU-XURGJTJWSA-N 342.479 6.052 0 1 EKAF C/C=C/CCCCCCCCCCCCC[C@]1(OC)C=CC(=O)O1 15274100 PIYYSSQIVZPOSN-YEFOHOTDSA-N 336.516 6.090 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H](CCCC(=O)O)CCC[C@]12C 27707217 GNNWYNIVILNUKO-AIYVTKCESA-N 336.560 6.536 0 1 EKAF CC(C)Oc1ccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)cc1 82082808 JLLSYOVLWIZONB-UHFFFAOYSA-N 343.430 5.761 0 1 EKAF COC(=O)CC[C@H]1C(=O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 96923554 BIPDREOVFWTNOY-AHIJYVNXSA-N 348.527 5.168 0 1 EKAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NC(=O)c3ccccc3)cc2)C1 147090064 QSQIWZNULQSKFZ-RBDMOPTHSA-N 348.490 5.059 0 1 EKAF CCCCC[C@H]1CC(=O)c2cc(Br)cc(Cl)c2O1 299838333 QDWCLEXIPPXFNR-JTQLQIEISA-N 331.637 5.017 0 1 EKAF CCc1ccc(-n2nc(OC(C)C)c(Cc3ccccc3)c2C)cc1 299864784 MURXFTAMMAMDAA-UHFFFAOYSA-N 334.463 5.121 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963919 SDMBDWJYRQXAAY-VIFPVBQESA-N 338.263 5.259 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2C1 587033344 HSTCGWMSBMTOKV-MRVPVSSYSA-N 337.275 5.723 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC)c(C)cc2[nH]1 587061194 CKCIOYFJSDZAHV-HNNXBMFYSA-N 330.815 5.063 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(c3cccs3)=NN2)cc1 1857744375 CGSONBPSBIOWGI-GOSISDBHSA-N 343.455 5.335 0 1 EKAF c1ccc(CCCN[C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 13557335 DLHHIMFCIUQZER-ILBGXUMGSA-N 341.498 5.356 0 1 EKAF Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nn1C 13820019 MGBIMDQNQUZGEV-MDZDMXLPSA-N 326.484 5.200 0 1 EKAF CC[C@H](c1ccc(O)c(Cl)c1)[C@@H](CC)c1ccc(O)c(Cl)c1 40466662 CBJDAPHLKCZCIS-OKILXGFUSA-N 339.262 6.092 0 1 EKAF C/C1=C\[C@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CC/C(C)=C/CC1 49783705 IZTPZZVRYDCHRL-LUZQIQEISA-N 342.479 5.656 0 1 EKAF COc1cccc(/C(C)=C/CN2CCC(Cc3ccccc3)CC2)c1 73157993 UKEAQARSOYRQIE-YBFXNURJSA-N 335.491 5.053 0 1 EKAF Cc1ccc2oc(=O)c(-c3ccccc3)c(OCc3ccccc3)c2c1 84672158 SDIVDTJVGDTQOP-UHFFFAOYSA-N 342.394 5.347 0 1 EKAF COc1ccc(-c2cc3c(OC(=O)c4ccccc4)cccc3o2)cc1 96922080 SAPJXQYZTYKPGO-UHFFFAOYSA-N 344.366 5.328 0 1 EKAF Brc1ccc2cc(-c3nc4ccccc4s3)[nH]c2c1 103259875 KSAVVLYQWKIOCP-UHFFFAOYSA-N 329.222 5.207 0 1 EKAF FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1 169326337 BZTMKWCWKFEAKS-UHFFFAOYSA-N 332.325 5.038 0 1 EKAF CC1=C2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CCC1 255223366 KPVIZULLSJKVNJ-HXBRIZIVSA-N 328.584 7.392 0 1 EKAF CC(C)c1cc([C@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)on1 261178905 VORLYPMDEILSSB-HNAWSFBYSA-N 344.886 5.185 0 1 EKAF c1ccc(-c2scnc2-c2nc3cc4ccccc4cc3[nH]2)cc1 587028082 NPQXCTMBGCZCFP-UHFFFAOYSA-N 327.412 5.507 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4C(C)(C)C)-c1ccccc1C2=O 587100428 JVIPXDLFBUPDCL-MRXNPFEDSA-N 327.427 5.440 0 1 EKAF Fc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125305 PFLVHWFVKWDJFR-BAQGIRSFSA-N 338.329 5.484 0 1 EKAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1c1nc2cccc4c2c(c1CC3(C)C)CC4 587216105 ZLUZCLCZSPYFTN-WIRXAFICSA-N 331.503 5.826 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1oc1ccccc13)O2 587407572 CSKYAZKDLUWGNV-FQEVSTJZSA-N 343.382 5.183 0 1 EKAF CC(C)(C)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526234 RURDNKMMSLQDIR-SIKLNZKXSA-N 326.480 5.506 0 1 EKAF Cc1ccc(-c2noc(-c3c(C)[nH]c4ccc(F)c(Cl)c34)n2)cc1 587632055 CDCXYNWTTCLLAK-UHFFFAOYSA-N 341.773 5.294 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCCCC2)N1 587822067 ZISPTMHFSFFIGI-PIGZYNQJSA-N 340.280 5.134 0 1 EKAF Cc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1F 587949391 FDDULQQOYFMDDN-QXMHVHEDSA-N 344.389 5.973 0 1 EKAF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4ccoc4cc3O[C@H]21 2356619020 QXWUDAROFYQULE-VGOFRKELSA-N 348.398 5.257 0 1 EKAF COC(=O)CCCCCCCC[C@H](CCCCCCCCO)OC 2356679174 IYJHTEZJRCLLBP-LJQANCHMSA-N 344.536 5.018 0 1 EKAF O=P1(c2ccccc2)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 1642177 YSMZAYVFDLZNBM-FGZHOGPDSA-N 332.383 5.951 0 1 EKAF CCCCCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1 5524967 QCXQVQZHGZIAIV-UHFFFAOYSA-N 338.476 5.406 0 1 EKAF C/C(=C\c1cc(C(=O)O)no1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13557580 QEPKCGNDCFSACX-JLHYYAGUSA-N 339.435 5.282 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1 13650897 VSIMDGDJOGYVHX-URYYLNOGSA-N 348.486 5.136 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccccc3F)C2)c1 40975529 PXROHQYSCPVWBO-NRFANRHFSA-N 349.430 5.889 0 1 EKAF CCOC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 45336059 LYYQEUOQFQMYRP-STZQEDGTSA-N 344.495 5.053 0 1 EKAF C[C@H]1C[C@@H](Nc2cc(-c3ccc(F)cc3F)ncn2)CC(C)(C)C1 82162310 BKXGVUMMWRWPTA-GXTWGEPZSA-N 331.410 5.049 0 1 EKAF c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)cc1 473247733 GMRFLTWVYIWNSE-UHFFFAOYSA-N 325.436 6.048 0 1 EKAF CCCC[C@H](CC)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991948 RYNNGJYIAPWBME-AWEZNQCLSA-N 345.442 5.836 0 1 EKAF Fc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1Cl 587068671 WRKAYHOSSIXVRP-UHFFFAOYSA-N 347.180 5.066 0 1 EKAF Fc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587145743 RDOIIPDPYLETJV-UHFFFAOYSA-N 336.341 5.087 0 1 EKAF O=C(CCSc1ccc(F)cc1)c1coc2ccc(Cl)cc12 587279229 PEFJTMUCDBSTQR-UHFFFAOYSA-N 334.799 5.590 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(C(=O)C(F)(F)F)c2c1 587642081 OGKXKQCIMKFVJJ-JTQLQIEISA-N 325.374 5.724 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccncc3)c2c1 587644132 NQBKWWBQJJKTGR-INIZCTEOSA-N 326.443 6.410 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(OC)cc3[nH]2)c1 587780328 PWVUMQKIERMGFY-UHFFFAOYSA-N 344.414 5.304 0 1 EKAF CC(C)(C)c1nc2ccccc2n1C(=O)c1cccc2ccccc12 1772616587 YJJXLJXTINUIHK-UHFFFAOYSA-N 328.415 5.176 0 1 EKAF CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C 2356331375 IMFNBOMNWHWKQD-TUPYPOGMSA-N 346.555 5.375 0 1 EKAF CCC=CCC=CCC=CCCCCCCCc1cc(O)cc(O)c1 2356433911 YPIUYRIMBUVEFO-UHFFFAOYSA-N 342.523 6.840 0 1 EKAF CC=CC=CCCCCCCCCCCC[C@@]1(OC)C=CC(=O)O1 2356524177 TXXJITWKACQCHC-NRFANRHFSA-N 334.500 5.866 0 1 EKAF CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1 103061660 NURLUZSESLQRGG-KBPBESRZSA-N 336.866 5.964 0 3 EKAF Cc1ccccc1[C@@H](Cc1c(Cl)cccc1Cl)Cn1ccnc1 33493856 NGCDXSROLCOCPU-HNNXBMFYSA-N 345.273 5.525 0 1 EKAF CCCCCCSc1ccc(C(=O)CCN2C[C@H]2C)c(Cl)c1 43122712 XANFNVUDCJCYTD-QMRFKDRMSA-N 339.932 5.289 0 1 EKAF c1ccc(-c2ccccc2CNc2cc3c(cn2)[nH]c2ccccc23)cc1 72175505 MEJFVUBLOBOJIU-UHFFFAOYSA-N 349.437 5.995 0 1 EKAF CC/C=C/C=C\C=C/C=C/CCCCCCCCOC(=O)CC(C)C 238785281 QVLFQVORFCICKZ-PCSGWALUSA-N 346.555 6.941 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)o1 586903690 SRKPSSPJZNCQOE-UHFFFAOYSA-N 330.431 6.096 0 1 EKAF CCCC(Br)(CCC)c1nc2cccc(Cl)c2[nH]1 586970488 FQOSODIKNUVPIG-UHFFFAOYSA-N 329.669 5.407 0 1 EKAF C[C@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506288 RKEGBWLANALRRU-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF O=C1C[C@]2(CC[C@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526863 UGJFIRPLWWIPLR-HOYKHHGWSA-N 346.470 5.312 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3nc(-c4ccccc4)no3)c2c1 587643638 HQJVHWVRNMHXMU-CYBMUJFWSA-N 331.419 5.707 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587932212 VQWKICJSUDNZHN-VGSWGCGISA-N 328.415 5.170 0 1 EKAF Cc1ccnc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1 1772610478 JXENYAGQOFATEP-UHFFFAOYSA-N 337.810 5.354 0 1 EKAF CCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12 1772622862 DLWFPAIRTIZRAQ-UHFFFAOYSA-N 328.415 5.221 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(C=O)c1O 2356513441 ZNGAIWWFPJJNSV-UHFFFAOYSA-N 342.479 5.872 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\c1conc1CCC(=O)OC 26577488 BPENLZKRQSKJIL-QUVOULIFSA-N 343.467 5.432 0 1 EKAF CCCCC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708099 AHZUGQDNSYDLNN-QFIPXVFZSA-N 337.507 5.292 0 1 EKAF in-vivo OC1=C(c2ccccc2)S[C@H](c2ccccc2)N1c1ccccc1 29406850 NQWDWWWVMBWHKL-OAQYLSRUSA-N 331.440 5.823 0 1 EKAF CCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21 34577680 AYSKEJYDZUJEIT-UHFFFAOYSA-N 341.454 6.052 0 1 EKAF Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2c(ccc3[nH]cnc32)n1 39214824 CBENAYPNZFAHQC-UHFFFAOYSA-N 343.217 5.470 0 1 EKAF Cc1cc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2cc1C 45255271 ZKLLZEMFPXOTMY-UHFFFAOYSA-N 329.378 5.115 0 1 EKAF CC(C)c1ccc(-c2cc(NCc3ccc(F)c(F)c3)ncn2)cc1 82160463 DRQVSPVKBQEOLY-UHFFFAOYSA-N 339.389 5.157 0 1 EKAF CCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 95559912 KJCSYBCHDUDDQQ-UHFFFAOYSA-N 345.417 5.883 0 1 EKAF C1=NC[C@H](C23C[C@H]4C[C@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169328307 RFEDASQCPIEZHK-JRXYTJKGSA-N 348.534 5.680 0 1 EKAF CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C 238750696 MCTLHBSXZUSYKL-ZIXGRAFBSA-N 348.527 5.191 0 1 EKAF CC(C)c1c(Sc2ccccc2)cc(CCc2ccccc2)nc1O 299819038 ABEXXUNJSCLTCF-UHFFFAOYSA-N 349.499 5.847 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2n1 586898247 NOYVIEWMLJCHSL-UHFFFAOYSA-N 343.430 5.295 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncc(C)c2[nH]1 587014853 RSOATCZRMPKLQA-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587150741 DYPGBWIQIKQRGJ-QWRGUYRKSA-N 338.279 5.131 0 1 EKAF CC[C@@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587206253 BUMYNTWFKILTQF-UONOGXRCSA-N 327.427 5.837 0 1 EKAF COc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1C 587237578 URQSBODFPCALSL-UHFFFAOYSA-N 335.451 5.070 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 587240420 DJAQOKNHPCQFRH-UHFFFAOYSA-N 349.821 5.636 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](CC(C)(C)c1ccccc1)CC2=O 587490136 RUJKZDYHRVDZGB-MRXNPFEDSA-N 338.447 5.046 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CC(C)C)s1)CC2=O 587493407 GWHWOHMYPRDEKR-SFHVURJKSA-N 344.476 5.311 0 1 EKAF Fc1ccc(F)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(F)(F)F)c1 587629802 IIPAUKLHUCDAAA-UHFFFAOYSA-N 349.661 5.924 0 1 EKAF COc1cccc(C2(c3nc4cc5ccccc5cc4[nH]3)CCCC2)c1 587933871 XVJUHYQOHYPPJS-UHFFFAOYSA-N 342.442 5.585 0 1 EKAF Cc1cc(C)c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 653833445 UFLGBCWVIPFMCQ-UHFFFAOYSA-N 347.302 6.393 0 1 EKAF Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1 1772600077 JNMGJFDBEIVTKE-UHFFFAOYSA-N 325.145 5.124 0 1 EKAF CCC[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857762276 GDFHQFHLYUVXNW-IBGZPJMESA-N 342.895 5.489 0 1 EKAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C(C)C 1857775060 UHDLPCBOXHHIIM-UHFFFAOYSA-N 340.511 5.000 0 1 EKAF CC(=O)CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@H](C)CC(=O)O 2356447755 CIIWZLVTUAUIGG-CTSLQZMRSA-N 348.527 5.635 0 1 EKAF OCc1cn(Cc2ccccc2Cl)cc1-c1ccc(Cl)cc1 6567919 ASLBMNKEVTVLHM-UHFFFAOYSA-N 332.230 5.003 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCO 13490258 ZWXLHTWQEHZSAD-DOFZRALJSA-N 348.527 5.668 0 1 EKAF Clc1ccc(Nc2nnc(Cc3ccccn3)c3ccccc23)cc1 13808831 GVGWASGJLBAGKU-UHFFFAOYSA-N 346.821 5.013 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H](CCCC(=O)O)CCC[C@@]21C 27707226 GNNWYNIVILNUKO-CDVBAKLBSA-N 336.560 6.536 0 1 EKAF CCc1ccc([C@@H]2c3cccn3-c3cccc(Cl)c3CN2C)cc1 28458851 DWUPXQJVKZYTNG-OAQYLSRUSA-N 336.866 5.228 0 1 EKAF Cc1ccc(-c2nc3sc4ccccc4n3c2Br)cc1 28525692 SLKWANVOATVTGM-UHFFFAOYSA-N 343.249 5.287 0 1 EKAF CCCCC/C=C/c1cc(F)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 28821725 PVCMGYHOKLVFKF-BGGMYYEUSA-N 342.498 7.030 0 1 EKAF Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl 29061009 LUMKUDPYQGEIPU-UHFFFAOYSA-N 345.225 6.082 0 1 EKAF in-vivo c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2OC3)nc1 72178349 OUWAZIDXPNGAHY-UHFFFAOYSA-N 342.423 5.432 0 1 EKAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@H](C)CC 82186968 FBBGSQHZVTZFSJ-OAHLLOKOSA-N 345.535 5.063 0 1 EKAF O=C(OCc1ccccc1)N1C=C[C@@H]2C[C@@H]1c1c(Cl)cccc12 102829570 XELSDQWBSMOHJJ-RHSMWYFYSA-N 325.795 5.035 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Cl)c(C)c3[nH]2)s1 587015007 VTUVRGYAUBQHOV-SNVBAGLBSA-N 335.860 5.054 0 1 EKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(Cl)c2[nH]1 587076547 WDSOZPKYAZKJIS-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]5C=C[C@@H]4C5)nc13)-c1ccccc1C2=O 587099508 LJMUXGOXURXVHC-QMTMVMCOSA-N 337.422 5.434 0 1 EKAF CCC[C@H]1CC[C@H]([C@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587215153 IHIVEJPLNACVLV-LNLFQRSKSA-N 333.519 6.045 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCCCC1)O2 587405039 ISEFVTGLVZBDPB-JOCHJYFZSA-N 335.447 5.018 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2c(C(=O)O)cccc12 587637337 BLQZHXQMOPUXIS-UHFFFAOYSA-N 336.435 5.238 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)F)c2c1 587643721 WBQSZDISBDILGS-NSHDSACASA-N 345.364 5.935 0 1 EKAF Cc1ccc2c(C)cc(-n3nc4cc3Oc3ccc(F)cc3-4)nc2c1C 587874506 DODDVJGKKDFMQS-UHFFFAOYSA-N 345.377 5.258 0 1 EKAF COc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1OC 587920104 FKHIRVCTKJTFKK-UHFFFAOYSA-N 345.851 5.072 0 1 EKAF FC(F)(F)c1cccc(/C=C\c2cc3ccccc3nc2Cl)c1 653798434 SRVCVLHHMUDBQD-HJWRWDBZSA-N 333.740 6.077 0 1 EKAF COc1ccc2c(c1)[C@@]1(CC[C@@H](c3ccccc3)C1)N(C(C)C)CC2 962096195 XLYYTZRDGPMPHZ-OFNKIYASSA-N 335.491 5.125 0 1 EKAF Cc1cccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)c1 1772644564 LAOFMUQRUHSOAV-IRXDYDNUSA-N 335.274 5.350 0 1 EKAF CCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1cc[nH]n1 13472101 BEAKIJTZSZPLPP-UHFFFAOYSA-N 334.487 5.039 0 1 EKAF Cc1ccc2c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)[nH]c2c1 26175297 LMUHKXPKGLPHSH-UHFFFAOYSA-N 343.382 5.001 0 1 EKAF CO[C@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27080004 OJNSFFIREDVKLU-IBGZPJMESA-N 325.383 5.138 0 1 EKAF CCc1cccc(N(C)C(=N)Nc2cc(C)cc(CC)c2Cl)c1 27426174 RLYPJVUBROZKFI-UHFFFAOYSA-N 329.875 5.256 0 1 EKAF CC(=O)c1ccc2c(c1)[C@@H](C[C@@H](C)CN(C)C)c1ccccc1S2 27741916 UANDJSJLPRJVNB-KDOFPFPSSA-N 339.504 5.074 0 1 EKAF CCCCC[C@@H](CC)OC(=O)COc1ccc(Cl)cc1Cl 103168431 MHTYVHINCPMTEW-CYBMUJFWSA-N 333.255 5.274 0 1 EKAF CN(C)c1ccc([C@H](C[C@@H](N=O)c2ccccn2)c2ccccc2)cc1 169730257 FZNROVUGDZJOBI-IFMALSPDSA-N 345.446 5.177 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCC 231934327 YLFLZSQBPHMIBS-NKXWDUBDSA-N 345.571 6.658 0 1 EKAF CCCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O 299862286 MZGZEDAVTPZWOL-UHFFFAOYSA-N 339.483 5.073 0 1 EKAF CCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br 586978274 ZAAHCWRRLVSPHA-UHFFFAOYSA-N 335.632 5.208 0 1 EKAF CC(C)[C@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208028 PZESQZMPXRIHIX-HNNXBMFYSA-N 341.454 5.597 0 1 EKAF COc1cccc(-c2c(CC(C)C)cnc3c2oc2ccccc23)c1 587365704 OEVVMJBEDGQGSV-UHFFFAOYSA-N 331.415 5.855 0 1 EKAF O=C1C[C@@]2(CCCC[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587525386 OWMNEKHDPOZGKZ-ZJSXRUAMSA-N 346.470 5.627 0 1 EKAF Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c1 587631423 LTHVQEIYWSYRLU-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1CCCC1 587860258 PFYVMFLXVSAQLC-UHFFFAOYSA-N 325.239 5.371 0 1 EKAF COc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1F 587958978 JBNIYGMAWRIHQQ-UHFFFAOYSA-N 346.405 5.277 0 1 EKAF CC(C)c1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)cc1 653788992 SBBKDRDKYSYCIU-UHFFFAOYSA-N 328.415 5.923 0 1 EKAF Cc1ccc(C(C)(C)C[C@]2(C)NCCc3cc(C)c(F)cc32)cc1 962095684 WBYVFEUETSSFNE-QFIPXVFZSA-N 325.471 5.171 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(C)c1OC(F)F 963241144 LUXPBAFAYFZYCR-DNVCBOLYSA-N 345.433 5.342 0 1 EKAF CC(C)c1ccc(Nc2c(-c3ccsc3)nc3cnccn23)cc1 200592 ALIYJOFGSODYJF-UHFFFAOYSA-N 334.448 5.325 0 1 EKAF Cc1cc2c(cc1Oc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13742685 RFZRCCVCGACDPY-UHFFFAOYSA-N 338.447 5.835 0 1 EKAF Cc1nc2c(OCc3c(Cl)cccc3Cl)cccn2c1Cl 13778240 IUFOLWKBMBKCCB-UHFFFAOYSA-N 341.625 5.182 0 1 EKAF C1=C\CCCCN(CCc2nccc3c2[nH]c2ccccc23)CCCC/1 13884947 LUYZVPNPJGYOIP-UPHRSURJSA-N 347.506 5.471 0 1 EKAF N=C(Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 26489065 GCDIAKOXXFRRPE-UHFFFAOYSA-N 347.262 5.183 0 1 EKAF CC(C)(C)c1ccc(SC[C@H](c2cccnc2)c2c[nH]cn2)cc1 64573962 YVGCLDBDDBQLIK-GOSISDBHSA-N 337.492 5.026 0 1 EKAF C[C@H]1CCC[C@@H](NCc2coc(-c3cccc4ccccc34)n2)[C@@H]1C 72186229 SGASSMMBMACOAI-GCKMJXCFSA-N 334.463 5.409 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(F)cc3)cc21 143265334 OWFBGZSNQFMYQE-LJQANCHMSA-N 344.307 5.271 0 1 EKAF CCc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1Br 586977961 TTXJGTHIYWKQBU-UHFFFAOYSA-N 329.241 5.172 0 1 EKAF C[C@H]1CCc2sc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2C1 587034157 PRFCJFRXRNJLEG-ZETCQYMHSA-N 338.263 5.118 0 1 EKAF CCc1c([C@@H](C)CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099839 VPRPOFMAXJTVFH-ZDUSSCGKSA-N 329.443 5.831 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cnc4ccoc4c3)nc3cccc1c23 587106736 MIAFREXZBBQRGU-UHFFFAOYSA-N 348.361 5.254 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)cc1F 587146362 JMMAHRIMMGQTID-AATRIKPKSA-N 345.215 5.252 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)cc1Cl 587510294 YIDXOVPEFWORDE-FQEVSTJZSA-N 340.850 5.542 0 1 EKAF CC/C=C/CCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522609 GCXUEXARKJWGKI-GNAXCBTBSA-N 340.507 6.206 0 1 EKAF Cc1ccc2ncccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524104 JFGUKHYATCMPTE-NRFANRHFSA-N 343.426 5.129 0 1 EKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2cc(Cl)c(F)cc12 587627978 DFDKAVIZQLBKMB-UHFFFAOYSA-N 344.600 5.948 0 1 EKAF Cc1ccc2c(ccc3nc(/C=C/c4cccc5ccccc45)[nH]c32)n1 587968690 NZONLORNKNFERT-GXDHUFHOSA-N 335.410 5.743 0 1 EKAF O=C(Nc1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 594797535 RNDLEBSIAWWJDE-NRFANRHFSA-N 346.405 5.005 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)c3oc4ccccc4c3n2)c1 1772616668 FPECOBCADYVPBI-UHFFFAOYSA-N 337.378 6.021 0 1 EKAF CC(C)(C)Cc1c(-c2ccccc2)nc2ccc(Br)cn12 61921025 VPKQQQCWMBRDQX-UHFFFAOYSA-N 343.268 5.352 0 3 EKAF Cn1cc([C@H](c2ccccc2)c2ccc(Cl)s2)c2ccccc21 6737743 QSPRXKAXHQAPTA-FQEVSTJZSA-N 337.875 6.073 0 1 EKAF aggregator COc1ccc(O)c2c1C[C@]1(C)[C@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 14717791 AHDRBWCUVQGBTR-SHYZFUQISA-N 344.495 5.337 0 1 EKAF biogenic CCCCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)OC 15122327 VQHJSIBYSWTMLS-WFAXRRGHSA-N 344.539 6.861 0 1 EKAF O=C(O)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 31910599 AHPRJCULOGJNPV-UHFFFAOYSA-N 338.750 5.076 0 1 EKAF Clc1ccc(CNc2cc(Oc3cccc(Cl)c3)ncn2)cc1 38462865 GLYVEHCEHCBTMJ-UHFFFAOYSA-N 346.217 5.188 0 1 EKAF C[C@H]1[C@@H](NCc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72102732 BANXIWRAPAPGFE-OLUCIUBSSA-N 344.886 5.155 0 1 EKAF CC(C)CCCCC/C=C\CCCCCCCCOC(=O)C(C)C 148174836 ULNXKSFWDNHBAD-VURMDHGXSA-N 338.576 7.079 0 1 EKAF O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S[C@@H]12 169715460 DQEHBFZYRSACTF-KPZWWZAWSA-N 327.836 5.034 0 1 EKAF Clc1cc2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2cn1 587084536 CDGHQMMXDYXOHI-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF COc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c(F)c1 587149107 PNWQAINBJGOPBI-UHFFFAOYSA-N 348.377 5.094 0 1 EKAF Cc1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cc1Cl 587250510 KWQYVPBHKICXGA-UHFFFAOYSA-N 333.822 5.441 0 1 EKAF Nc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c2ccccc2c1 587252505 YDMQMNLQZXIQPK-UHFFFAOYSA-N 328.202 5.272 0 1 EKAF O=C(c1c(Cl)ccnc1Cl)c1coc2ccc(Cl)cc12 587279276 ZTOAGCQRHBTSFG-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF O=C1C[C@H](c2cc(F)c(F)cc2Cl)Oc2c1ccc1c2CCCC1 587502322 DGUWYZCQSHYIBY-GOSISDBHSA-N 348.776 5.204 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c([C@H](C)C(=O)O)c2c1 587643046 RBXUTXCMYROKHK-OLZOCXBDSA-N 339.410 5.676 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C)cc3[nH]2)cc1 587938031 RXJWZMOFFMCZHY-NRFANRHFSA-N 328.415 5.060 0 1 EKAF COc1ccc2c(c1)[C@@]1(C)Cc3c([nH]c4ccccc34)C(C)(C)[C@@H]1CC2 1772640826 BJWNNDSAWKTADI-XUZZJYLKSA-N 345.486 5.531 0 1 EKAF CCCCC[C@@H]1O[C@H](CCCCCCCCC(=O)OC)[C@H](C)[C@@H]1C 2356427204 RVTUJFHXENKYMN-ZGXWSNOMSA-N 340.548 5.900 0 1 EKAF NC[C@H]1c2ccccc2CCc2cc(CCCc3ccccc3)ccc21 13536471 KMIIOYQZRICJDL-VWLOTQADSA-N 341.498 5.051 0 1 EKAF CCc1ccc(Cc2ccc([C@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26641164 MFHLHGZNTQECQS-HNNXBMFYSA-N 348.442 5.190 0 1 EKAF Cc1cccc(-c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2)c1 29061110 GFJKNHKOZLFIJW-UHFFFAOYSA-N 345.225 6.467 0 1 EKAF in-vivo CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 72101314 FCIZORMNNZOXID-UHFFFAOYSA-N 346.352 5.387 0 1 EKAF Cc1cccc(-c2ccc(C(=O)N(C)c3ccccc3F)s2)c1 95584123 BFLMRQFGXXCLQB-UHFFFAOYSA-N 325.408 5.139 0 1 EKAF O=C(Nc1ccc(-c2ccccc2Cl)cc1)c1c(F)cccc1F 142289160 DXSZOKQZRUBOTN-UHFFFAOYSA-N 343.760 5.538 0 1 EKAF Cc1nc(-c2ccc3c(c2)c(Cl)cn3C(C)C)sc1C(=O)O 145175375 JKQWSPYIDFNGGJ-UHFFFAOYSA-N 334.828 5.006 0 1 EKAF Cc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1 169350784 OQFKPYDKJJWQBA-UHFFFAOYSA-N 349.484 5.986 0 1 EKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]1n3c(cc4ccccc43)C[C@@]12C 238754593 OZJHCMYAXLCFKU-ZZTDLJEGSA-N 335.491 5.550 0 1 EKAF CCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1CC 586878294 CBIBIVIKCIVTOU-UHFFFAOYSA-N 347.231 5.256 0 1 EKAF C=Cc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 586879940 AHKHRZRWZPVKGH-UHFFFAOYSA-N 326.399 5.452 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C)[C@@H]4C)-c1ccccc1C2=O 587100401 IVRRZGUKHNFXJO-JSGCOSHPSA-N 327.427 5.440 0 1 EKAF CCc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195725 JCYVJSKDINYYPH-UHFFFAOYSA-N 341.458 5.332 0 1 EKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)nc2cccc3c2c1CC3 587210330 OTECHKUCBCGHGT-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF Cc1c(-c2ccc(OC(=O)C(C)(C)C)cc2)nc2cccc3c2c1CC3 587213415 IKIKRRMYTHEJIX-UHFFFAOYSA-N 345.442 5.260 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)F)c2c1 587639900 AHQQAVNTDHHFMM-JTQLQIEISA-N 347.430 6.166 0 1 EKAF Cc1ccc(C)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587959336 QJEDFKOMWDIGMB-UHFFFAOYSA-N 340.426 5.002 0 1 EKAF CC(C)N(CC[C@@H](O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 653843982 LLGVBTZZTUJXQH-JOCHJYFZSA-N 339.523 5.318 0 1 EKAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1Cl)C(C)(C)C 963004250 BNEFJTOBXLJPGF-IBGZPJMESA-N 333.928 5.454 0 1 EKAF Cc1cc(Cl)ccc1[C@@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 61898393 IMOIDVRWJOZFLM-HXUWFJFHSA-N 348.833 5.273 0 3 EKAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(C(CC)CC)cc1)N2C 26572730 QRTMYRXFCOZLFS-FCIYXJNOSA-N 327.512 5.136 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(F)c2F)[C@H](c2ccc(O)cc2)C1 299826040 RDAIYPYLHQHYKX-HNNXBMFYSA-N 348.368 5.163 0 1 EKAF Cc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587111994 CJXYFKHQKKAFGE-NSHDSACASA-N 336.332 5.375 0 1 EKAF Cc1ccc(C)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587113037 JBZYYZJKLDPJOG-ZDUSSCGKSA-N 332.369 5.545 0 1 EKAF Cc1cc(C)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113072 JQTVVWIXZKQQOX-ZDUSSCGKSA-N 332.369 5.545 0 1 EKAF Fc1ccc2[nH]cc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c2c1 587175693 YLMKMYKCQJEHRD-UHFFFAOYSA-N 334.181 5.081 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)c1 587233859 WBLULRLQIQQORH-UHFFFAOYSA-N 327.431 5.555 0 1 EKAF CCC[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365550 LKFSQDMPMFGESO-OAHLLOKOSA-N 345.442 6.560 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(C)(C)C)CC1)CC2=O 587479594 IPCADPYYYPKZQF-OYHNWAKOSA-N 344.495 5.675 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(F)cc3)c2c1 587642472 NVASTUTZMQZXCZ-ZDUSSCGKSA-N 338.426 5.059 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@H](C)NC(=O)OC(C)(C)C)c2c1 587643813 XNDWNVUIKYKKMA-JSGCOSHPSA-N 330.472 5.576 0 1 EKAF CCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810059 BTGNSPSQTUNQKI-SJKOYZFVSA-N 342.296 5.308 0 1 EKAF CCCC[C@H](C(C)C)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618908 FFGRVXHODBQENY-CECAUBDESA-N 347.543 5.258 0 1 EKAF c1coc(-c2nc3ccc(-c4ccncc4)cc3nc2-c2ccco2)c1 1857764118 BKXDGEIMRQNKGI-UHFFFAOYSA-N 339.354 5.212 0 1 EKAF COC(=O)C1=CCCC(C)=C[C@H]2OCC(C)=C2CCC(C)=CCC1 2356640884 UMWCCWVWWMKNLD-HXUWFJFHSA-N 330.468 5.048 0 1 EKAF CC(C)c1cccc(-c2nc3ccnc(Nc4cccc(O)c4)c3[nH]2)c1 74386729 PEIFVMZVZVLKJO-UHFFFAOYSA-N 344.418 5.198 0 3 EKAF CCC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1 3833991 GYTNWQXSRMSXDF-UHFFFAOYSA-N 342.226 5.313 0 1 EKAF C[C@H]1[C@@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 13493416 FUMBLBJFVJXVBV-DPSWKAHMSA-N 346.518 5.364 0 1 EKAF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOC)c1 29399463 NSPUVVSLTLFNQS-RTWAWAEBSA-N 342.479 5.364 0 1 EKAF Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1 34005757 JMPWLOIXVCFSLH-UHFFFAOYSA-N 332.794 5.089 0 1 EKAF c1ccc(CCc2nc(-c3ccccc3)oc2NC2CCCCC2)cc1 36381629 QSYZCPXDAKBVMY-UHFFFAOYSA-N 346.474 5.871 0 1 EKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(C(C)C)cc2)cc1 40864377 KVQWSAAUMHUOKQ-JOCHJYFZSA-N 334.463 5.525 0 1 EKAF C[C@@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3 147109353 UXYQWXBNZAYHDD-NSHDSACASA-N 331.246 5.441 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cc4ccccc4o3)cs2)c1 473089560 RXXZXELLZXGJGA-UHFFFAOYSA-N 338.457 5.444 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 586879094 DPOHLXDCQXXMOU-UHFFFAOYSA-N 326.399 5.408 0 1 EKAF Clc1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 586901129 JRPQBIVFIBLICN-UHFFFAOYSA-N 337.604 5.116 0 1 EKAF CCC[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587101418 SSLSKOHANHCIFH-OAHLLOKOSA-N 341.454 5.660 0 1 EKAF 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587058279 FEIHLATVKAMQEQ-UHFFFAOYSA-N 342.723 5.159 0 1 EKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107302 QHPZWQFHKCYOOT-UHFFFAOYSA-N 337.378 5.122 0 1 EKAF Cc1nc(-c2ccc(F)cc2)sc1-c1cc2c3c(cccc3n1)CC2 587214329 XSFPKXXKTPLRFD-UHFFFAOYSA-N 346.430 5.571 0 1 EKAF CC[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352513 JVQGXFSOEGVQGA-LPLGYCIKSA-N 342.410 5.085 0 1 EKAF COc1cccc(-c2cc([C@H]3CC3(C)C)nc3c2oc2ccccc23)c1 587364480 BKMAIVDZLLWWPE-GOSISDBHSA-N 343.426 6.170 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(C1C[C@H](C)C[C@@H](C)C1)CC2=O 587487708 GTQDQRCPSMIIKV-LKBUQDJMSA-N 330.468 5.141 0 1 EKAF CCc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587523847 ILFDAXJWAKIFIO-NRFANRHFSA-N 345.442 5.316 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)NCc1ccc(Cl)cc1 587624617 PTSLSIXQUDQVNG-UHFFFAOYSA-N 347.245 5.022 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Br)cc1 587629075 ZLTMIMXZGDZDDZ-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF Fc1ccc2[nH]cc(-c3[nH]c4cccc(F)c4c3C(F)(F)F)c2c1 587634447 ZFUIXOOGBAIFFE-UHFFFAOYSA-N 336.263 5.613 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1 587960267 XUSKOFZJAISRTG-UHFFFAOYSA-N 349.437 5.677 0 1 EKAF C/C(=C/c1nc2cc(C)c(Br)cc2[nH]1)C1CCCCC1 587969163 VRUUKZSVTSEBBW-LUAWRHEFSA-N 333.273 5.617 0 1 EKAF COc1cccc(N(C)C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)c1 653795182 WTAFEBBUEIIPEM-UHFFFAOYSA-N 345.442 5.256 0 1 EKAF CC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12 1857591140 QABLDFZIZKEHJZ-UHFFFAOYSA-N 331.419 5.071 0 1 EKAF CC(=CCCc1ccoc1)CCC=C(C)CCCC1=CCC(=O)OC1 2356470720 FADXOJWSXBNCBI-UHFFFAOYSA-N 342.479 5.929 0 1 EKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CCCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356519550 HIDKSZBIOUMHCI-YLICSJJYSA-N 343.599 6.130 0 1 EKAF CCCCCCN(C(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1 1540172 LXTPZDQFMUHYJL-UHFFFAOYSA-N 336.435 5.101 0 1 EKAF Cn1c2c(c3ccccc31)CN(CCCCCCc1ccccc1)CC2 13476818 OEFBIQFHDCQKBI-UHFFFAOYSA-N 346.518 5.340 0 1 EKAF Nc1sc2c(c1C(=O)c1ccc(C3CCCCC3)cc1)CCCC2 13558666 UTDORDVWSJHXQW-UHFFFAOYSA-N 339.504 5.488 0 1 EKAF Cc1cccc([C@@H](CC2CCCCC2)Nc2nc3ccccc3o2)c1 28011773 JBINSHJPZLMDBT-HXUWFJFHSA-N 334.463 6.260 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccccc1)c1ccccc1)C2 100897366 UJEVDHRYUSUDHU-FJPGZJACSA-N 335.491 5.056 0 1 EKAF COC(=O)CCCC/C=C\C/C=C/CCCCCCCC(=O)OC 238783724 BJEPALDWQRJLJD-YDCBUUCGSA-N 338.488 5.126 0 1 EKAF Cc1cc(C)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc(Cl)cc13)S2 299838698 QVEJHGXSADCRGN-SFHVURJKSA-N 341.863 5.858 0 1 EKAF Clc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Cl 587059025 LDSLNBIRQPHLJJ-UHFFFAOYSA-N 325.626 5.308 0 1 EKAF Cc1c(-c2nc3ccc(Cl)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166285 WRIGLCRZWISQEQ-UHFFFAOYSA-N 339.801 5.336 0 1 EKAF CCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587205612 DEGXLZZGHDXYKD-UHFFFAOYSA-N 329.443 5.877 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccc3c2c1CC3 587212332 GHYAHHDZRFSLCV-UHFFFAOYSA-N 339.413 6.115 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2c(C)cccc12 587523018 GQBYDUWFAFHSPY-HXUWFJFHSA-N 345.442 5.370 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(Cc3cccc(F)c3)c(COC)c2c1 587641439 IVGMQZFGRXUGPD-CQSZACIVSA-N 325.427 5.558 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2ccc([C@H](C)CC)cc12 587643689 WJWHKFNYIJVCGD-QGZVFWFLSA-N 348.534 7.053 0 1 EKAF CCCC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813717 PKIULYCEALXZJJ-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF FC(F)(F)c1cc2nc(CC3CCCCCC3)[nH]c2cc1Cl 587960426 IVEPHVUBLUBIRX-UHFFFAOYSA-N 330.781 5.748 0 1 EKAF Cc1ccc(-n2cccc2[C@H]2NCCc3c2sc(C)c3C)c(C)c1 963027250 SFSPSMNMERQKNX-HXUWFJFHSA-N 336.504 5.008 0 1 EKAF Cc1ccc(SC[C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963114508 VMDDMFKEYSMFOD-NQIIRXRSSA-N 341.495 5.162 0 1 EKAF O=C(c1ccccc1)c1c(-c2ccccc2)sc2c1CCCCC2 1772576567 GPTWDKDJURULFP-UHFFFAOYSA-N 332.468 5.915 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccncc2)s1 1857609145 RWTUJQYVLQBWRL-UHFFFAOYSA-N 329.812 5.108 0 1 EKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3c(Cl)cccc3s2)CC(C)(C)C1 1857775188 IUYCRBYBLXZBLK-GHMZBOCLSA-N 336.888 5.351 0 1 EKAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@]21C 2356512851 HGALRQOZWPGLJI-GVMRPCBKSA-N 348.527 5.044 0 1 EKAF CC(=C[C@@H]1CC(=CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356534205 YHLJEGITRQRPJZ-HXUWFJFHSA-N 340.419 5.016 0 1 EKAF COc1ccccc1-c1ccc2ncnc(Nc3ccccc3)c2c1 4258326 SEYDAWLUHLINNI-UHFFFAOYSA-N 327.387 5.049 0 1 EKAF c1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1 13588172 YXIIIHIHDBMOTL-UHFFFAOYSA-N 348.456 5.645 0 1 EKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1ccccc1 58650382 HYYQDTGAVFYWEW-QFIPXVFZSA-N 346.861 5.995 0 1 EKAF in-vitro CC[C@@H](NCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72142303 MTNPQNUFRUDUAZ-JOCHJYFZSA-N 342.442 5.736 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@@]12C[C@@]1(C)CCCC2(C)C 101183365 ZQAZXAXJQNKOAF-KESGBDCSSA-N 342.523 6.161 0 1 EKAF c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 114755483 VQJPAUPNWVQQSG-UHFFFAOYSA-N 332.447 5.571 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)CCC1=N2 169722043 HPIKIUCVJUGZSD-MOPGFXCFSA-N 342.801 5.006 0 1 EKAF CCCCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990716 FLLIEESGROJIEK-UHFFFAOYSA-N 331.415 5.275 0 1 EKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Cl)cc2[nH]1 587011764 NBVWDRSZNLBCBQ-UHFFFAOYSA-N 339.851 5.239 0 1 EKAF Cc1noc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097099 PNGYGDFYEGVVDT-UHFFFAOYSA-N 340.382 5.026 0 1 EKAF Cc1c(Br)cc2nc(C3(F)CCCCC3)[nH]c2c1C 587132011 ZZUVNXXIOUVFCB-UHFFFAOYSA-N 325.225 5.071 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3cnc(Cl)cc3[nH]2)cc1 587162438 BAHWKPSULSRLGY-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587164476 RTILQJITMDUHRM-UHFFFAOYSA-N 346.789 5.890 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC)c3ccccc13)CC2=O 587478975 XMNSHILYSYZFAA-NRFANRHFSA-N 349.430 5.026 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(SC)cc3[nH]2)cc1 587565895 WMJXUZIVVOMXQV-UHFFFAOYSA-N 340.492 5.551 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)ccc3Cl)c2c1 587643306 ZPKKSSQWUUBBAZ-LLVKDONJSA-N 332.274 6.964 0 1 EKAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1ccc2c(c1)OCCC2 1772581111 JGFCHZSQRIEBAY-FNORWQNLSA-N 349.518 5.454 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC=C(C)[C@@H]21 2356577379 BYNSHSWWZXSBTC-VTJKKSGASA-N 346.511 5.060 0 1 EKAF CCC1=N[C@@H](c2ccccc2)c2ccccc2CN1Cc1ccccc1 13600280 SUMRMPQOAAMLIL-DEOSSOPVSA-N 340.470 5.600 0 1 EKAF C=Cc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1 28711028 IKLODVZGTDHCCS-UHFFFAOYSA-N 347.458 5.921 0 1 EKAF CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C(C(=O)O)C(=O)O 34649531 SASXDBISJSPVFB-LFBUJFGVSA-N 344.451 5.057 0 1 EKAF Cc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)c(C)c1 40863062 SRWNOCJTGKIJFL-HXUWFJFHSA-N 340.854 5.364 0 1 EKAF CC(C)(C)c1cc(-c2cc(=S)ss2)cc(C(C)(C)C)c1O 40872448 XXWZFMCFBPXXFF-UHFFFAOYSA-N 338.563 6.507 0 1 EKAF COc1cc2cc(-c3ccc(Cl)c(Cl)c3)nc(C)c2cc1OC 45285075 WSIDLZIQGSYAER-UHFFFAOYSA-N 348.229 5.534 0 1 EKAF CC(=O)OCc1sc(SC(C)C)nc1-c1ccc(Cl)cc1 45316007 MDOYTEYAUJCUOM-UHFFFAOYSA-N 341.885 5.027 0 1 EKAF O=C(Nc1cccc(F)c1)Nc1cccc(-c2ccc3cn[nH]c3c2)c1 63539934 WONUEZVTDVQBDC-UHFFFAOYSA-N 346.365 5.013 0 1 EKAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(C)c4[nH]3)ccc2F)cc1 587139828 ZGDFBKQNHQCOFC-UHFFFAOYSA-N 344.389 5.547 0 1 EKAF Cc1ccnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587164314 PWYGDOJRTVFBJX-RVDMUPIBSA-N 335.407 5.056 0 1 EKAF C[C@H](CCc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527453 WHQBFMPDTUZHTH-OPAMFIHVSA-N 334.459 5.168 0 1 EKAF CCc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)cc1Cl 587639083 UYRMTCVZALBHPT-UHFFFAOYSA-N 334.202 5.402 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1csc(Cl)c1Cl 963222720 CHHRRRVPWAWIOT-BDJLRTHQSA-N 340.319 5.801 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)C[C@@H](O)[C@H]12 2356406961 MHVGGXRUWKWUJE-VFRYCMGASA-N 348.527 5.044 0 1 EKAF CCCCCC=CCC=CCC=CCC=CCCCC=CC(=O)OC 2356848159 PDCVCNURRHNQMX-UHFFFAOYSA-N 344.539 6.861 0 1 EKAF CC(=O)O[C@@H](CCCCCCCCCCCCC(C)C)CC(=O)O 5662812 YDAMPLFSFQVIAZ-IBGZPJMESA-N 342.520 5.730 0 1 EKAF biogenic Cc1c(-c2ccc(O)cc2)n(CCc2ccccc2)c2ccc(O)cc12 28767882 TWFPGJSWZLJTAX-UHFFFAOYSA-N 343.426 5.271 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc2c(c1O)C[C@@H](CC=C(C)C)C(C)(C)O2 36375244 QUFMMGVKRWKOGH-UONOGXRCSA-N 346.467 5.013 0 1 EKAF C[C@H](Sc1nc(Cl)cc(Cc2ccccc2)n1)c1ccccc1 49110598 ZUHZIIBFHDTMDN-AWEZNQCLSA-N 340.879 5.574 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162217 NOSVXTXDFJCPSY-VQIMIIECSA-N 337.511 5.894 0 1 EKAF CC[C@H]1C[C@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 103178586 RMJYIGSZMFOADY-RBZFPXEDSA-N 342.870 5.552 0 1 EKAF C[C@H]1[C@H](C)CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C 263614322 GVFFAMRIFGYUEO-KNMOHKFKSA-N 344.627 7.718 0 1 EKAF in-vitro Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(C)nccc2[nH]1 587014810 RDQKXXHLWFYQNP-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Cc1ccc2c3c(c(CC4CCCCC4)cnc13)-c1ccccc1C2=O 587101283 RSGQBSOPSMNMTP-UHFFFAOYSA-N 341.454 5.877 0 1 EKAF CC(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153176 MUWFUIDVRFRRCA-UHFFFAOYSA-N 330.362 5.239 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)c(C)c2c1 587639699 BRQYNZQBLRLYOU-NSHDSACASA-N 349.371 6.815 0 1 EKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)nc2c(C)cccc12 587874702 IJXUVZPNTYAMGI-UHFFFAOYSA-N 331.350 4.949 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587970010 XMVUVDDOLUPPHZ-KAMYIIQDSA-N 326.443 6.184 0 1 EKAF CC[C@H](c1ccc(Cl)c(O)c1)[C@H](CC)c1ccc(Cl)c(O)c1 27655569 NTRNFSBEVFNROP-ZIAGYGMSSA-N 339.262 6.092 0 1 EKAF CCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21 43021182 KYLIHRLLNONWLD-UHFFFAOYSA-N 343.426 5.444 0 1 EKAF Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 66122850 QQNHBEDJECFHJR-UHFFFAOYSA-N 346.426 5.258 0 1 EKAF Cc1ccc(S[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 72113087 BRJYNDCGYYLNON-JOCHJYFZSA-N 332.468 6.101 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)Nc2ccc(-c3ccccc3)cc2)c1 84739941 ZQLWJUGZXBQKRM-UHFFFAOYSA-N 344.458 6.429 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)NC2CCCCC2)no1 95579000 UOTLDRHRWZLHME-DXRVJIQQSA-N 342.483 5.133 0 1 EKAF CCCCCCc1c(C)c2ccccc2n1C(=O)C[C@H](C)CC(=O)O 103270846 IOLXGBRXPNGLCP-HNNXBMFYSA-N 343.467 5.214 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H]1CS1 299846319 KEUSUQKYRBAZTR-QKSWPAOXSA-N 332.553 5.042 0 1 EKAF C[C@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990306 AZGTXYAUMSTKGM-LBPRGKRZSA-N 343.426 5.228 0 1 EKAF CC[C@@H]1C[C@@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992779 ZOQBRJPRQYGNIW-CHWSQXEVSA-N 343.426 5.228 0 1 EKAF C[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)c1ccccc1C(F)(F)F 587097453 IAOABJOQQZANDX-LBPRGKRZSA-N 346.396 6.031 0 1 EKAF O=NCc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587190308 MVPDBNOLCZFUEH-UHFFFAOYSA-N 343.386 5.075 0 1 EKAF Cc1c(Cc2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205608 CVLRAZZYYBRLFN-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF Cc1c(-c2cc(F)cc(Br)c2)nc2cccc3c2c1CC3 587214395 ZAXNMKVPCRQQLC-UHFFFAOYSA-N 342.211 5.210 0 1 EKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)cc1 587632694 HXRVHGGMMLCQHR-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF CC(C)C(C(C)C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817666 DKRVEKIUIJJFNN-APPDUMDISA-N 342.296 5.092 0 1 EKAF Fc1cc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c(F)c1 1772627923 ROJDAMXKECEXEV-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 1857634422 FBDASCMVNLCAQQ-NHCUHLMSSA-N 338.353 5.239 0 1 EKAF CCCCCC[C@@H](C)[C@@H](CCCCCCCCCC(=O)OC)OC 2356718898 JMGFGJQRZFQSDX-WOJBJXKFSA-N 342.564 6.292 0 1 EKAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 254047172 LTDMCKMWCXEYTN-FNHHTLBMSA-N 330.512 5.049 0 3 EKAF Cc1cc(-c2c(F)cc3c(=S)ccn(C4CC4)c3c2F)cc(C)n1 27327880 XHVRUFJRHAPISV-UHFFFAOYSA-N 342.414 5.663 0 1 EKAF COc1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1 49073307 SKJHILUULVFJGU-UHFFFAOYSA-N 329.471 5.762 0 1 EKAF COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 72134118 NINITLSHUAPIHQ-CABCVRRESA-N 332.447 5.320 0 1 EKAF CCCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 95583903 SEOPTNNPNXQCLW-FQEVSTJZSA-N 348.471 5.472 0 1 EKAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3ccc4occc4c3OC[C@@H]21 143420029 AMXZYAGFDBRVKA-JTSKRJEESA-N 348.398 5.257 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@H]2[C@@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 253667873 SOAIWELMVRCOAD-QKYBYQKWSA-N 346.511 5.252 0 1 EKAF CCCCC1CCC(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CC1 586893435 XSEJPYFFRGKZFE-UHFFFAOYSA-N 348.874 5.467 0 1 EKAF Fc1cc(F)c(-c2cc3c4c(cccc4n2)CC3)cc1Br 587210337 PAGRDHWQUUBCCP-UHFFFAOYSA-N 346.174 5.041 0 1 EKAF CCCCCCc1c(-c2ccc(O)cc2)nc2cccc3c2c1CC3 587216055 RHVUGELWFPGHCN-UHFFFAOYSA-N 331.459 5.829 0 1 EKAF C[C@@H](C1CCCCC1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525273 RLEPXHATOKKKNV-NYHFZMIOSA-N 326.480 5.506 0 1 EKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)cc1 587632700 IARDEUXXFXKMTC-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(Cl)cc1Cl 587633211 VHDXJHQBVRNIGE-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF Cc1ccc(C)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587950028 ONPJRCDVTXMURB-CCEZHUSRSA-N 340.426 6.142 0 1 EKAF CC(C)Oc1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587950732 FRPKYLZKWFBFSV-HNNXBMFYSA-N 346.430 5.643 0 1 EKAF Cc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 594796600 JJFQQWRQBWZSGX-QFIPXVFZSA-N 342.442 5.175 0 1 EKAF CCC(CC)Cc1cc2c(s1)CCN1Cc3ccccc3C[C@@H]21 1857631818 MVEVWWXCIPTQAQ-FQEVSTJZSA-N 325.521 5.382 0 1 EKAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 2356486562 WYIQMFYYLDLRBC-ZJSAKBDPSA-N 334.544 5.654 0 1 EKAF CCCCCC=CC=C[C@H](O)CC=CCC=CCCCC(=O)OCC 2356503426 HMSZURWPEYGCQR-NRFANRHFSA-N 348.527 5.666 0 1 EKAF c1ccc2c(c1)CCc1ccccc1N2CCCCCN1CCCC1 26663312 FBBXCBZJFUPNFQ-UHFFFAOYSA-N 334.507 5.189 0 1 EKAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCCCC2)s1 28395235 WQYLFRWHITYOSB-UHFFFAOYSA-N 349.887 5.102 0 1 EKAF c1ccc(CCc2c(CCN3CCCCC3)oc3ccccc23)cc1 28636580 QLOZPGUYIBBWAL-UHFFFAOYSA-N 333.475 5.246 0 1 EKAF NC[C@H](c1ccccc1)c1ccc(Oc2ccccc2)c2ccccc12 28654199 WLMHNRQMUHLCBK-HSZRJFAPSA-N 339.438 5.723 0 1 EKAF C=C(c1cc(Cl)cc(Cl)c1OCc1ccccc1)n1ccnc1 28765452 RQBXVFNJQXEVFE-UHFFFAOYSA-N 345.229 5.288 0 1 EKAF CCN(CC)CCCCCCOc1ccnc2cc(Cl)ccc12 40410331 XVPKEGOSIGOJME-UHFFFAOYSA-N 334.891 5.169 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21 140529634 DGCFWRXRNYMGTP-UHFFFAOYSA-N 339.398 5.730 0 1 EKAF CCC[C@](C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167549730 AMCZUFIBNJETQH-FQEVSTJZSA-N 336.541 6.017 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)CCC1=N2 169722044 HPIKIUCVJUGZSD-RTBURBONSA-N 342.801 5.006 0 1 EKAF CC1(C)CCC[C@]2(C)[C@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 238754093 VRKVFZPBPWKMBN-IQBQUVKQSA-N 344.627 7.862 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(CCc2ccccc2)s1 299858887 FBJBWVRGOGNNEX-UHFFFAOYSA-N 342.508 5.227 0 1 EKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5nccs5)cc4)nc32)n1 587023931 SPRLDLJAZJWFEL-UHFFFAOYSA-N 342.427 5.210 0 1 EKAF COc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1C 587054654 PVTUMBCLQASPCN-VOTSOKGWSA-N 333.218 5.357 0 1 EKAF Cc1ccc(Oc2ncccc2C(=O)c2coc3ccccc23)cc1 587280614 NCTNXWVBRXHPTB-UHFFFAOYSA-N 329.355 5.160 0 1 EKAF C[C@@]1(c2cc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587536324 UMPCWBDGDTUBEF-QFIPXVFZSA-N 348.467 5.661 0 1 EKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2cc(F)ccc12 587632023 ATDPDNBQHGENHS-UHFFFAOYSA-N 332.216 5.607 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc3ccccc23)N1 962942559 FWIBGLQLZYAMEK-OYHNWAKOSA-N 342.442 5.040 0 1 EKAF COc1ccccc1-c1oc2ccccc2c1-c1ccccc1OC 61947996 KFVXNCUMJPRVQO-UHFFFAOYSA-N 330.383 5.784 0 3 EKAF Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl 3817166 MSXZXFPYTVQJIL-UHFFFAOYSA-N 336.822 5.205 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2cc(C)cc(O)c2C[C@@H]1O 15120204 OELJEAVRDMYCHY-XAYCBPNJSA-N 344.495 5.228 0 1 EKAF Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)O 29333640 PRXZFHNBDYQGIS-UHFFFAOYSA-N 331.346 5.201 0 1 EKAF CCC[C@@H]1OC2(CCN([C@H](C)c3ccccc3)CC2)c2ccccc21 66259216 HXQCSQKANKJRHG-GCJKJVERSA-N 335.491 5.610 0 1 EKAF COc1ccc(C(=O)C[C@H](Sc2ccccc2)c2ccco2)cc1 103168698 RGOKIVGDMQRTMX-FQEVSTJZSA-N 338.428 5.395 0 1 EKAF CC(C)CCCCCCCCC(=O)N1CCC[C@H]1c1cccnc1 196210500 REKDGTQCGUHKPX-FQEVSTJZSA-N 330.516 5.522 0 1 EKAF CCCC/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991564 OSMFZWSOQGYNMF-YVMONPNESA-N 329.399 5.355 0 1 EKAF CC(C)Oc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027418 FDBDPYOSHKEWDL-UHFFFAOYSA-N 335.432 5.141 0 1 EKAF COc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083507 XJCCXESEGBBZIU-UHFFFAOYSA-N 344.201 5.094 0 1 EKAF CCCC/C=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099481 KQNSSOYHLHHKAZ-TWGQIWQCSA-N 327.427 5.958 0 1 EKAF C(=C\c1cccc2ccccc12)\c1nc2cc3c(cc2[nH]1)OCCCO3 587966381 BSRJQHGXQDAIGM-KTKRTIGZSA-N 342.398 5.048 0 1 EKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587968237 XALBGVGUKDSNCX-PSASIEDQSA-N 325.637 5.049 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1772598000 ZHDLEFUWWZMTQD-SHFFVWSOSA-N 329.572 5.906 0 1 EKAF Clc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 1772607599 WVSFAMMDFPNRAF-UHFFFAOYSA-N 336.778 5.122 0 1 EKAF CC[C@@H](O)CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356343170 KFGLFEVIRKTJEW-OAQYLSRUSA-N 346.511 5.744 0 1 EKAF CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(O)cc1 2356460490 XAMOJFHBVRVLCL-UHFFFAOYSA-N 341.495 5.080 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@H](C(=O)O)c1cc2cc(O)ccc2o1 2356683527 XZFXVBWSDABZIS-GOSISDBHSA-N 342.435 5.780 0 1 EKAF CC(=CC=C[C@H](C)C(=O)O)C1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356804727 ZKLBXGLVQXCIRO-NPPFBWRTSA-N 330.512 6.153 0 1 EKAF CCn1c(NC(=O)Nc2ccc(C)cc2Cl)cc2sccc21 5146309 SURMHYVUNAPIHD-UHFFFAOYSA-N 333.844 5.329 0 1 EKAF Cc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O 5546525 LDMBQQOMIBXVPL-UHFFFAOYSA-N 348.320 5.008 0 1 EKAF C[C@@H]1[C@@H]2Cc3ccc(Cl)cc3[C@@]1(C)CCN2Cc1ccccc1 13742445 SFRKZPDHORQPCB-NQERJWCQSA-N 325.883 5.064 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C 14859663 CUSONBTUCOAEMV-LPSTTYAQSA-N 331.459 5.930 0 1 EKAF endogenous,in-man Cn1c2c(c3cc(F)ccc31)CSc1cc(C(F)(F)F)ccc1-2 34801481 UMHPBDUKBKGHIB-UHFFFAOYSA-N 337.341 5.609 0 1 EKAF CCCCC/C(=C\CCCCCCCCCCC(=O)O)[N+](=O)[O-] 42920075 PQAOIUQONUIELV-BMRADRMJSA-N 327.465 5.713 0 1 EKAF in-vivo CC(=O)c1cccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)c1 82081693 SQBLPARGCZTJGL-UHFFFAOYSA-N 333.416 5.238 0 1 EKAF CC(C)(C)c1ccc([C@H](CF)NCc2cccc3ccccc23)cc1 96930061 GMOSMMARRWVBGN-QFIPXVFZSA-N 335.466 5.938 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184806 LNZVFVDXQMOFRR-YHTKHXHBSA-N 332.528 5.900 0 1 EKAF CC1=C(CC(=O)O)c2cc(C)ccc2/C1=C\c1ccc(C(C)C)cc1 103093484 IAQHDPRNXOKBRU-NDENLUEZSA-N 332.443 5.921 0 1 EKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141008994 SHOUXGBMTQNYOV-XFASLETNSA-N 347.546 6.736 0 1 EKAF CCCC1(CCC)CC(=O)[C@H]([C@H](c2ccccc2)C(C)(C)C)C(=O)O1 169715004 UFIWWBUKCPODDQ-MOPGFXCFSA-N 344.495 5.288 0 1 EKAF O=C(NCc1ccccc1)c1cn(CC2CCCCC2)c2ccccc12 299823860 BOXNXHIMJOGAMP-UHFFFAOYSA-N 346.474 5.152 0 1 EKAF CCOC(=O)/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 299870747 WXMCSPQZPCVVOH-SFLKGWSXSA-N 334.544 6.155 0 1 EKAF CC[C@@]1(C)C=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990072 IOCNPUTVUQEPBA-QHCPKHFHSA-N 341.410 5.137 0 1 EKAF CC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050528 PGPAGDLJVJKRPN-RYUDHWBXSA-N 345.229 5.343 0 1 EKAF Clc1cccc(/C=C/c2nc3ccc4ncccc4c3[nH]2)c1Cl 587053828 IYAYAJKQDHRAIR-RMKNXTFCSA-N 340.213 5.588 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085594 VXNVVHVKOJALAD-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Clc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c(Cl)n1 587086629 BGQZSROXEDESBQ-UHFFFAOYSA-N 337.597 5.066 0 1 EKAF Cc1cc(F)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145995 ZHKZISGVZYECNB-UHFFFAOYSA-N 334.369 5.407 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2C[C@@H]2CC3)c1 587365087 DUXHMAMVFISPPB-SCLBCKFNSA-N 341.410 5.706 0 1 EKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631219 JAHYFQNDJKJTHC-SECBINFHSA-N 340.826 5.109 0 1 EKAF CCOc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)ccc1C 587778793 UCELCAKEVDLTIJ-UHFFFAOYSA-N 345.240 5.008 0 1 EKAF Cc1cc(Nc2cc(Cl)cc(-c3cccc(Cl)c3)c2)nc(N)n1 1772654963 PTKXJKIIEVFKLB-UHFFFAOYSA-N 345.233 5.085 0 1 EKAF CC(C)Oc1cccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)c1 1857588411 JISUVDKIRHTCPW-UHFFFAOYSA-N 343.430 5.761 0 1 EKAF Cc1c(C2CCCC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1857619621 KPNLIYAMLFNPIR-UHFFFAOYSA-N 344.410 6.172 0 1 EKAF Cc1cc(C)c2sc(NC(=O)C34CCCC(C)(CCC3)C4)nc2c1 1857648336 KXQNRKFWTRRIOT-UHFFFAOYSA-N 342.508 5.602 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C1=CC(=O)O2 2356518083 FCFUSYHGZLEMJM-IYUJAYFOSA-N 346.511 5.123 0 1 EKAF CC[C@@]1(c2ccccc2)Sc2ccc(C)cc2-n2cccc2C1=O 5846263 CJQFMTPUGKECTK-NRFANRHFSA-N 333.456 5.380 0 1 EKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(C(C)(C)C)cc2)cc1 40874296 ZRRUWKALMQNRMO-QFIPXVFZSA-N 348.490 5.699 0 1 EKAF CCCCc1ccc(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)cc1 82160328 FGWVZZXKZMUFDJ-GOSISDBHSA-N 345.490 5.702 0 1 EKAF COc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1 96937386 ZTQBSMFKIIULNB-UHFFFAOYSA-N 329.443 6.090 0 1 EKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)OC 238761160 VQHJSIBYSWTMLS-MUUBREFRSA-N 344.539 6.861 0 1 EKAF CC(C)(C)c1ccc(-c2nc(O)c3sc4ccccc4c3n2)cc1 299832401 GERFIVKNGYXTHK-UHFFFAOYSA-N 334.444 5.515 0 1 EKAF CSc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048385 VCIIKFBTULCOKC-GHMZBOCLSA-N 349.286 5.863 0 1 EKAF Cc1c(F)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587133310 SMBVEBGIDFDIAI-UHFFFAOYSA-N 344.308 5.428 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)CC[C@@H](C)CC(C)(C)C)O2 587406787 VETWSYIWCSYVAJ-ZXYWRSMDSA-N 331.500 5.400 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587506816 POHDZMIJUZYFFL-SFHVURJKSA-N 330.786 5.064 0 1 EKAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2cc(Cl)c(F)cc12 587631902 ZYMNGOSLCDXPTO-UHFFFAOYSA-N 338.810 5.575 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2ccc(F)cc2F)N1 962949358 LTPGKZWHQKOPDA-SZNDQCEHSA-N 340.417 5.024 0 1 EKAF Cc1ccc(Cl)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1F 963103906 OKFGXCOOZKYRLQ-KUHUBIRLSA-N 333.809 5.037 0 1 EKAF CC1(C)[C@H]2c3c(CCc4ccccc4)cc(O)cc3O[C@@]3(C)CC[C@@H]1[C@@H]23 1857635387 HEHNRIJVSOOMII-VPJOFFEXSA-N 348.486 5.478 0 1 EKAF CCCCCc1cc(O)c([C@@H](O)C[C@@H](C)CCC=C(C)C)c(O)c1 2356551407 FBGKSDGGQKSQAK-WMZOPIPTSA-N 334.500 5.637 0 1 EKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2CC2CCCCC2)cc1 95566633 BGAIWUGAXWYPRG-UHFFFAOYSA-N 338.882 6.086 0 3 EKAF C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)c(Cl)c2C[C@]13C 13374391 WTHNHDFNKOVPBI-LNWOYWOMSA-N 348.914 5.982 0 1 EKAF Clc1ccc2c(NCCCCCCN3CCCCC3)ccnc2c1 13472667 MZYVSWGTJQFSPP-UHFFFAOYSA-N 345.918 5.346 0 1 EKAF CCCCC/C=C/CCCCCC/C=C\C=C\C(=O)N1CCCCC1 14616273 HFWMTBWJCPVZTO-ZQACVTJVSA-N 345.571 6.588 0 1 EKAF endogenous,in-man CNc1c(C)c(O)c2c(c1O)[C@H](C)CC[C@H]2[C@@H](C)CCC=C(C)C 15150368 KZZKJBOEEWEBSF-LZWOXQAQSA-N 331.500 5.811 0 1 EKAF biogenic COc1ccc(/C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N 26580045 RGFKDGSHJLZDHL-SSZFMOIBSA-N 349.518 6.187 0 1 EKAF Fc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 72111008 GPKQVCHNKVRPDY-QHCPKHFHSA-N 340.401 5.037 0 1 EKAF CC(C)c1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1 96907806 BVTZXEVYMYHUKI-UHFFFAOYSA-N 349.459 5.248 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586891530 RLSLJQIHNPGEDV-NOZJJQNGSA-N 347.178 5.248 0 1 EKAF Fc1cc(Cl)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068229 MPOZUNVSSXWTAO-UHFFFAOYSA-N 347.180 5.066 0 1 EKAF CC[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100367 HZRVIGMAVKHORN-AWEZNQCLSA-N 327.427 5.585 0 1 EKAF CCc1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1 587241193 XGNMZJPEEXQIHP-UHFFFAOYSA-N 343.430 5.545 0 1 EKAF Cc1c(F)ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587505601 MEBHRMQAIFPORZ-GOSISDBHSA-N 344.813 5.373 0 1 EKAF CCC[C@@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523504 JKSMWCZWUZYFLJ-PGRDOPGGSA-N 334.459 5.483 0 1 EKAF CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 587634714 CAXUPJNOQVEDML-UHFFFAOYSA-N 326.371 5.321 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccncc3)c2c1 587642728 VCOHHJVMFBVXHB-LLVKDONJSA-N 346.352 5.326 0 1 EKAF CCC[C@]1([C@@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815069 XUTGALMOHHEENX-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF CCCC/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587965079 GQKQCLMGHJMKGF-YHYXMXQVSA-N 333.460 6.043 0 1 EKAF Clc1cccc(NCc2ccc(CNc3cccc(Cl)c3)o2)c1 1857564409 JCCLNPFEONYIDG-UHFFFAOYSA-N 347.245 5.811 0 1 EKAF Cc1cc2c(cc1Cc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 3834069 GGMOAAYTTMGFAE-UHFFFAOYSA-N 336.475 5.633 0 1 EKAF C[C@H](Oc1cccc2ccccc12)c1cn(-c2ccccc2Cl)nn1 42964860 IUBAGXJEUGRVAA-AWEZNQCLSA-N 349.821 5.214 0 1 EKAF Clc1cc(-c2cn3c(n2)sc2ccccc23)c(Cl)s1 73140079 HSPHCVMKOGQRHN-UHFFFAOYSA-N 325.245 5.584 0 1 EKAF Cc1ccc(-c2nc3c([nH]2)c2c(c4ccccc43)OC(C)(C)CC2)cc1 96932803 GHHJKGHZKBLENT-UHFFFAOYSA-N 342.442 5.795 0 1 EKAF CC(C)=CCC/C(C)=C/CCC[C@@H](C)CC/C=C(\C)CCC=C(C)C 238763430 WLPSHRYULRZEIF-BFZGPKOJSA-N 344.627 8.958 0 1 EKAF Cc1nc2ccc(O)c3c2c(c1CCC(C)C)-c1ccccc1C3=O 586990359 BUBJCPLSBCJWMN-UHFFFAOYSA-N 331.415 5.049 0 1 EKAF CO/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364176 YMZZOUGVQGHMQX-ZHACJKMWSA-N 331.371 5.274 0 1 EKAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)CC(C)(C)C1 587483548 QYMVMMPKBTXOTP-UHFFFAOYSA-N 330.468 5.285 0 1 EKAF CC[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505408 MWYHQCPULVXKMB-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 587564689 OPBXAYWNUZJLBH-UHFFFAOYSA-N 346.833 5.622 0 1 EKAF FC1(F)CCN(Cc2cccc(Cl)c2)C[C@@H]1CCc1ccccc1 1772611669 NCHFNXBFGDIPEO-SFHVURJKSA-N 349.852 5.430 0 1 EKAF CCCCCCSc1ccc(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1 1857611222 XANFNVUDCJCYTD-VBKZILBWSA-N 339.932 5.289 0 1 EKAF CCCCn1c(=O)c(-c2ccc3ccccc3n2)cc2ccccc21 2495432 NDZXOWXRZCNNMR-UHFFFAOYSA-N 328.415 5.017 0 1 EKAF Clc1cc2c(cc1Cl)[C@@H](c1ccccc1)N[C@H]2c1ccccc1 27524249 GLPPHKINSPDIHC-BGYRXZFFSA-N 340.253 5.775 0 1 EKAF C[C@@H]1CCc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572600 KHYPPUBLNCEADC-SSDOTTSWSA-N 335.156 5.248 0 1 EKAF COc1ccc(COc2ccccc2CCc2ccccc2)cc1OC 29134796 RDJHHXIXXHIBIA-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C(C)(C)/C=C\CCCC(=O)O 33954765 KTUDAVANECCTPK-YVIVYSNNSA-N 332.528 6.853 0 1 EKAF CO[C@]12CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C1=CC(=O)O2 34326441 FCFUSYHGZLEMJM-IIVOHCRVSA-N 346.511 5.123 0 1 EKAF Cc1cc(O)cc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1 299838515 UWZFJRLJMFWBOP-UHFFFAOYSA-N 337.444 5.014 0 1 EKAF COc1ccc2c3ccnc(C)c3n(Cc3ccc(Cl)cc3)c2c1 473126569 UILQEHTVWVZGRY-UHFFFAOYSA-N 336.822 5.208 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3ccccc13)CC2=O 587485946 WHCWYRUHMWQRKV-NRFANRHFSA-N 332.399 5.204 0 1 EKAF CC(C)CC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521420 FOLWECQKTJJYHL-DEOSSOPVSA-N 348.486 5.862 0 1 EKAF O=C1C[C@H]([C@@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587521944 DSFNKJXIRNUKEG-DENIHFKCSA-N 332.443 5.019 0 1 EKAF CC1=C(C)O[C@](C)([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587530519 CWDQHLSXYFQVAN-FCHUYYIVSA-N 340.463 5.152 0 1 EKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3cc(F)ccc3F)[nH]c12 587624256 HWTRCUNWHUKRMD-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(Cn3cncn3)c2c1 587643213 RXAPVCHNMNCSDZ-INIZCTEOSA-N 344.462 5.297 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 587780186 NBLDMSVPUVKGRU-UHFFFAOYSA-N 348.833 5.949 0 1 EKAF Cc1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1C 587920207 FFHYBSBTRNKIJF-UHFFFAOYSA-N 331.843 5.810 0 1 EKAF CC/C(=C/c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(C)cc1 587966032 GXLHHIRSIBHZFX-WQLSENKSSA-N 331.246 6.129 0 1 EKAF Clc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2nc1Cl 587969100 PYJMNYQVWKIEST-CMDGGOBGSA-N 340.213 5.588 0 1 EKAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C[C@@H](C=Cc3ccccc3)OC(=O)[C@@H]12 2356477078 WTHYBEDBWJWEEI-NPQLIOMISA-N 336.475 5.116 0 1 EKAF CCCNC1=Nc2ccccc2[C@@H]2N(C)c3ccccc3[C@@H](C)C[C@]12C 1639325 XGCZSTRHBCAGRH-YROCYRMSSA-N 347.506 5.421 0 1 EKAF C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13742677 ALRYLNXZUBATMZ-UHFFFAOYSA-N 349.474 5.499 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@@H]2CC[C@H]1N2C 13862677 OBQNBIYHGKLYKZ-NXYDZRKXSA-N 349.518 5.509 0 1 EKAF CC(/C=C/C[C@H](C)CCCC(C)(C)OC(C)C)=C\C(=O)OC(C)C 29309886 KZRBDLDITSYOPL-RJTDVASKSA-N 338.532 5.841 0 1 EKAF CC(C)(C)c1ccccc1[C@]1(c2ccccc2)C(=O)Nc2ccccc21 29550804 KOTMBEHOJDTJRX-DEOSSOPVSA-N 341.454 5.271 0 1 EKAF CCC1=C(c2ccccc2)c2ccc(OC)cc2Sc2ccccc21 40817905 BADXTUFNIXTDDF-UHFFFAOYSA-N 344.479 6.529 0 1 EKAF Clc1cccc(CCNc2c3c(nc4ccccc24)CCCC3)c1 40822771 SWCOEICIIYHDQX-UHFFFAOYSA-N 336.866 5.422 0 1 EKAF CC(C)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 299823340 UUIMNGDAQNZIJP-UHFFFAOYSA-N 328.868 6.331 0 1 EKAF Brc1cccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879771 IBEKGBNEFDKSFW-UHFFFAOYSA-N 327.225 5.260 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)cc(F)c2[nH]1 586895881 AWPPLTMHVZFTTD-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF Cc1ccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc1C(F)(F)F 587095663 PNRGCKKNFAZMLK-UHFFFAOYSA-N 348.368 5.268 0 1 EKAF FC(F)(F)Oc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587112439 JXBIQWKAEMHGTJ-UHFFFAOYSA-N 346.230 5.147 0 1 EKAF FC(F)Oc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587131140 ZORCIQAYUHQCLQ-UHFFFAOYSA-N 329.133 5.138 0 1 EKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(Cl)cc3[nH]2)c(F)c1F 587134481 LVLUHYRMVGXXKI-DUXPYHPUSA-N 344.670 5.082 0 1 EKAF Cc1ccc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587146753 VICBNAQRJYLPIG-QPJJXVBHSA-N 336.288 5.079 0 1 EKAF CC(C)(C)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175208 SHULQFUTMWHYIM-UHFFFAOYSA-N 341.817 5.801 0 1 EKAF CC(C)CC[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208747 YWYLBMWWCJTFOR-OAHLLOKOSA-N 341.454 5.912 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587952618 USJSMGWAGQXXKY-KWBADKCTSA-N 342.817 5.541 0 1 EKAF Cc1c(Cl)ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955001 DWUMXVHBGUQISR-GOSISDBHSA-N 346.861 5.899 0 1 EKAF CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356383435 NBDWSJHVNDJYOS-LQOSWJIFSA-N 344.583 6.363 0 1 EKAF Cc1ccc2nc(CCc3ccccc3)c(NCc3ccccc3)n2c1 319795 ZQMSIAYPOSILPX-UHFFFAOYSA-N 341.458 5.040 0 1 EKAF CC[C@H](C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O 13765073 ZPGQGOBFLQNSNU-INIZCTEOSA-N 344.458 5.089 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C 14975024 KOYRJELGUSTHJQ-UHFFFAOYSA-N 328.456 5.378 0 1 EKAF COc1c2ccoc2cc2oc(/C=C/C=C/c3ccccc3)cc(=O)c12 26397087 ZDHRECZSGBDUGA-NXZHAISVSA-N 344.366 5.274 0 1 EKAF Cc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 34659227 FGNGXXNZWGBELO-INIZCTEOSA-N 344.842 5.072 0 1 EKAF CCC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 36289197 GPQZGTVZFASECT-FAJLJZNTSA-N 328.496 5.114 0 1 EKAF COc1ccc2cc(-c3cccnc3)c(Cc3ccccc3)cc2c1 40972266 OXCXOWFIXPOTGG-UHFFFAOYSA-N 325.411 5.501 0 1 EKAF in-vivo CCCCCCOc1ccc(-n2cnnc2-c2ccc(F)cc2)cc1 103271756 NRTZHPFQEBANQK-UHFFFAOYSA-N 339.414 5.033 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccsc3)cc21 144723515 FHFWAGNKGYKNLG-QGZVFWFLSA-N 332.346 5.194 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586963883 ROYFECVGJHIFQK-SECBINFHSA-N 338.263 5.259 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)s1 587014905 TXKMRZUTQGKGKA-GFCCVEGCSA-N 343.496 5.390 0 1 EKAF CSc1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 587095586 LTLOMTWBPPJTII-UHFFFAOYSA-N 336.382 5.203 0 1 EKAF Cc1ccc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1C(F)(F)F 587095945 ZWNSUJGMMWXALF-UHFFFAOYSA-N 346.396 5.778 0 1 EKAF Cc1cccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207765 UWWHEVSUFOIBAC-UHFFFAOYSA-N 349.433 5.540 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccsc1CC3 587208034 KCAOIUYMYMDNIC-UHFFFAOYSA-N 339.419 5.273 0 1 EKAF C/C=C\COc1ccc(Cc2c(C)nc3cccc4c3c2CC4)cc1 587213545 JBNDWYODANWSEV-ARJAWSKDSA-N 329.443 5.188 0 1 EKAF COc1cccc(-c2c(C(C)C)c(C)nc3c2oc2ccccc23)c1 587366641 XWFAZYFELFNZLQ-UHFFFAOYSA-N 331.415 6.088 0 1 EKAF CC(C)(C)[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512605 ZPTVILSEGNMSSA-QHCPKHFHSA-N 349.474 5.054 0 1 EKAF C[C@]1(c2ccccc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526892 XOLGPAUYEWVUQJ-HSZRJFAPSA-N 332.443 5.323 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)cc3Cl)c2c1 587639884 FFZYVYRPXFRXLZ-NSHDSACASA-N 332.274 6.964 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccccc3)c2c1 587640324 CFWZFTHMZKGCEG-GFCCVEGCSA-N 327.374 5.850 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C=C[C@](C)(c1ccccc1)CC2 963240559 KOONRNIJGMHFQY-YNJKOYDBSA-N 345.530 5.846 0 1 EKAF Cc1cccc(-c2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)c1 1772625051 PVBKPGXJONZYCX-UHFFFAOYSA-N 327.431 5.321 0 1 EKAF COc1ccc(-c2cc3ccccc3c(-c3cccc(OC)c3)n2)cc1 1857649316 QFXPEOJSFIGODV-UHFFFAOYSA-N 341.410 5.586 0 1 EKAF CCN(C(C)=O)c1ccccc1-c1cccc2c1[nH]c1ccccc12 1857758490 KWGRLIHEOFYKAP-UHFFFAOYSA-N 328.415 5.361 0 1 EKAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356653182 FJPYRUGHOSNUPA-WUHBCXKYSA-N 330.468 5.164 0 1 EKAF CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)O[C@H](c3ccc(Cl)cc3)[C@H]12 40829042 QXBWHBHPNZBHQP-ASKNOMKYSA-N 330.855 5.327 0 1 EKAF FC(F)(F)c1cnc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 103278633 RLJPSCZYDQEXRP-UHFFFAOYSA-N 341.547 5.804 0 1 EKAF CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(-c3ccccc3)c2)C1 139456693 IMEKNFSOCZJKQI-UPVQGACJSA-N 327.471 5.362 0 1 EKAF COC(=O)C1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238747581 QDSWHJNTSPBQME-KYPFXXDHSA-N 330.468 5.164 0 1 EKAF Cc1cc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c(C)n1 587047660 ACBIBNGWPZOMFE-MNOVXSKESA-N 332.234 5.153 0 1 EKAF Clc1cccc(/C=C/c2nc3cc4ccccc4cc3[nH]2)c1Cl 587053884 JFCHXGZKVQXZIB-CMDGGOBGSA-N 339.225 6.193 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc3c(c2[nH]1)CCCC3 587109779 NMDHHWXCJLEQKQ-UHFFFAOYSA-N 334.316 5.267 0 1 EKAF COc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Cl 587131480 JYXASNWHJWLGBM-UHFFFAOYSA-N 348.780 5.106 0 1 EKAF Cc1cc(F)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 587158034 HHSZDZOOCODVIK-UHFFFAOYSA-N 348.352 5.296 0 1 EKAF CC/C=C\CCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206515 FBCVEHDHMAMAQC-ARJAWSKDSA-N 341.454 6.125 0 1 EKAF O=C1C[C@@H](c2cccc(C(F)F)c2)Oc2c1ccc1c2CCCC1 587505559 LVXGTVGMRGETDN-SFHVURJKSA-N 328.358 5.210 0 1 EKAF O=C1C[C@H](c2ccccc2OCC2CC2)Oc2c1ccc1c2CCCC1 587521970 FPDBFSOVRCRGGV-JOCHJYFZSA-N 348.442 5.061 0 1 EKAF C[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524853 NPQSCSKEUZCQLU-WNSKOXEYSA-N 332.443 5.323 0 1 EKAF O=C1C[C@@H]([C@H]2CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587525305 OBDRFNIAKWTPCZ-REWPJTCUSA-N 346.470 5.409 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C)c2c1 587642655 UHMWTOCLUJVZJZ-LLVKDONJSA-N 332.274 6.964 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)cc1O 587785741 FWMVIOVQEOKUSZ-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF COc1ccc(-c2cc(O)c3c(-c4cccs4)c(N)oc3c2)cc1 1772627390 LRKBQVOHTHRWQW-UHFFFAOYSA-N 337.400 5.125 0 1 EKAF CC[C@H](COC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 20728 CWNKUKVWCWLOSD-GOSISDBHSA-N 343.467 5.220 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]21 13302253 VVMIBRAYCQENEA-BHIFYINESA-N 342.479 5.024 0 1 EKAF biogenic C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCc2ccccc2)[C@@H]1O 13462017 KBXLOAWJUIAVPA-SESVDKBCSA-N 346.511 5.053 0 1 EKAF biogenic CCCc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604799 DAPZVFMPUMSTES-QFIPXVFZSA-N 340.463 5.227 0 1 EKAF Cc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)c(CC(=O)O)c1 28768541 LIUGUXWZLIAAND-UHFFFAOYSA-N 344.716 5.087 0 1 EKAF CCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 29128635 YWZUZUIYRRFFIA-UHFFFAOYSA-N 340.511 5.780 0 1 EKAF COc1c(C)cnc(CC[C@@]2(C)Nc3ccc(Cl)cc3S2)c1C 29551658 DCPJNHTVVDUEQI-SFHVURJKSA-N 348.899 5.227 0 1 EKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(C(F)(F)F)cc1 96930043 PUCAQGJLEXFMNI-OAHLLOKOSA-N 343.392 6.052 0 1 EKAF CC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 103186462 XCJWCUQYANKDMZ-UHFFFAOYSA-N 348.467 5.069 0 1 EKAF Cc1ccc2cc([C@H]3CC(c4ccc(C)s4)=NN3)c(Cl)nc2c1 103213693 MVRCLTUMRVFKIL-OAHLLOKOSA-N 341.867 5.005 0 1 EKAF CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C2CCOCC2)C1 103274454 SAMMUXQCTRFMBE-VCFYHUQZSA-N 344.583 6.772 0 1 EKAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 143692886 SNKPCSRNBVWIIG-BDTNDASRSA-N 328.496 5.383 0 1 EKAF CSc1cccc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 201732072 HIOOCTUIDBSHTK-UHFFFAOYSA-N 342.445 5.004 0 1 EKAF Cc1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl 586895920 CGJBTNZFAZALCQ-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1cc(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160971 JOXLQDVMQIFQPR-KBPBESRZSA-N 345.215 5.044 0 1 EKAF CSc1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587170910 GMYMRALQTKSZNZ-LLVKDONJSA-N 332.469 5.320 0 1 EKAF FC(F)(F)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210117 FTQZXIDKVZWYMM-UHFFFAOYSA-N 345.389 5.655 0 1 EKAF O=C(c1cc(Cl)cc(Cl)c1)c1coc2ccc(Cl)cc12 587278218 JOXYLQSECDXYEN-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2cccnc12 587525572 NADDFSAYYFXEGD-OAQYLSRUSA-N 343.426 5.129 0 1 EKAF CCc1nc(Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 1772639192 PGGSBETVFNUEEU-UHFFFAOYSA-N 343.883 5.530 0 1 EKAF CC(C)(C)c1ccc2cc(C(=O)Nc3cccc4[nH]ccc34)sc2c1 1857610968 YYQKYWDIQUCRIU-UHFFFAOYSA-N 348.471 5.932 0 1 EKAF Oc1nc2ccc(Cl)cc2c2c1Sc1cc(Cl)ccc1N2 1857744588 HWDIWROOVRQWSZ-UHFFFAOYSA-N 335.215 5.455 0 1 EKAF C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 73313075 SKMFQTAOSOOOIV-DNVCBOLYSA-N 344.499 5.296 0 3 EKAF CCCc1cc(Cl)c2c(c1O)[C@@H](C)[C@@H](Cc1ccc(OC)cc1)O2 13453174 VSLLNGYXZIKKLY-YVEFUNNKSA-N 346.854 5.114 0 1 EKAF CN1CCCC[C@@H]1CC1(c2ccc(Cl)cc2)SCCCS1 13554192 GGEQMDOEYKWWPL-MRXNPFEDSA-N 341.973 5.237 0 1 EKAF Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Cl)c21 36473558 WYIAODIWHJGJEG-UHFFFAOYSA-N 325.755 5.084 0 1 EKAF O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCCC1 40913456 MNLYVUXGLQWIFI-UHFFFAOYSA-N 345.446 5.497 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)nc(-c3ccccc3Cl)c2)cc1 95556942 CWJKUAHIKMBZQA-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c21 96905984 MDEZNAJVPGRYNY-UHFFFAOYSA-N 329.443 6.270 0 1 EKAF CCOC(=O)c1c(C)oc2ccc(Oc3ccc4ccccc4c3)cc12 169337535 QMEJEAZXPIDPQK-UHFFFAOYSA-N 346.382 5.863 0 1 EKAF CCC/C=C/CC/C=C\C=C/CC/C=C\C=C/C(=O)NCC(C)C 238785711 DSXKRJBQUCPJOW-XKBOXSIESA-N 329.528 5.900 0 1 EKAF CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255218987 HYHNPUDYNQKSFL-BFPPCFBLSA-N 330.556 5.972 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)cc(F)cc2[nH]1 587066540 MFCZOXNGFUOLBH-UHFFFAOYSA-N 343.764 5.261 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(ccc4ncccc43)[nH]2)cc1 587165378 SZLAXLCKYGVCDK-UHFFFAOYSA-N 345.402 5.646 0 1 EKAF CC(C)Cc1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587205428 AHEWRXPOWBWMBS-UHFFFAOYSA-N 329.443 5.768 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(Cc3cccc(Cl)c3)c(C(C)C)c2c1 587641603 NLAAHFZOBZQSLW-HNNXBMFYSA-N 339.910 7.049 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C)c2c1 587642770 VONRALBTPOPFEI-NSHDSACASA-N 349.371 6.815 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587930330 ODUQIMKGVJLZCH-VOJFVSQTSA-N 347.245 5.324 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cccc(OCc3ccccc3)c2[nH]1 587967785 MNCRWEFWZJQLOE-SDXDJHTJSA-N 346.474 6.292 0 1 EKAF C/C(=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C1CCCCC1 587969270 XLVMDFASPZKFOZ-YFHOEESVSA-N 326.337 5.704 0 1 EKAF Cc1nc(C=O)cc2c3ccccc3n(Cc3cccc(Cl)c3)c12 1857753957 UTZJIJZICVWPPN-UHFFFAOYSA-N 334.806 5.012 0 1 EKAF CCCCCC[C@@H](C)[C@H](CCCCCCCCCC(=O)OC)OC 2356718896 JMGFGJQRZFQSDX-UXHICEINSA-N 342.564 6.292 0 1 EKAF CCCC[C@H](C)C[C@]1(CC)C=C(CC)[C@]2(C=C(CC(C)C)C(=O)O2)O1 2356805003 ZNEOQZOOEAMULR-WTOYTKOKSA-N 348.527 5.944 0 1 EKAF CC(=O)O[C@@H]1Cc2cc(C(C)C)c(O)cc2[C@]2(C)CCCC(C)(C)[C@H]12 13302218 DKFWEVHDRVCABW-URVUXULASA-N 344.495 5.087 0 1 EKAF biogenic CCC(CC)COc1cccc(-c2cc(=O)c3cc(C)ccc3o2)c1 13491194 JROIALORDXOAKU-UHFFFAOYSA-N 336.431 5.583 0 1 EKAF CCc1n[nH]c(CC)c1CCCCCCOc1ccc(Cl)cc1 27767954 LCQAYIIUGGIMRS-UHFFFAOYSA-N 334.891 5.370 0 1 EKAF CC(C)=CCOc1cc(Nc2nccc3cccn23)ccc1Cl 35075889 YKWCGOPJCVBJKL-UHFFFAOYSA-N 327.815 5.076 0 1 EKAF Cc1cccc(C)c1CNc1ccnc2cc(Br)ccc12 45194092 WDRICNNLQQJWBG-UHFFFAOYSA-N 341.252 5.226 0 1 EKAF C[C@H]1C[C@H](Nc2cncc(Oc3ccc(F)cc3)n2)CC(C)(C)C1 82068833 HOVMFORTAOILDW-ZFWWWQNUSA-N 329.419 5.035 0 1 EKAF O=C(O)CCCCCCCC[C@@H](O)CCCCCCCCCCO 100775646 RIIQXYZWFWMFSB-IBGZPJMESA-N 344.536 5.056 0 1 EKAF endogenous,in-man CC[C@@H](C)C(=O)c1c(O)cc(O)c(C/C=C(/C)CCC=C(C)C)c1O 238768896 YMYBAWFGDGMZLY-BAAYTWLHSA-N 346.467 5.267 0 1 EKAF Fc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c(F)c1F 587055991 YCNQLVLSLUIWQM-SNAWJCMRSA-N 343.135 5.457 0 1 EKAF Fc1cc(Cl)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084492 AYYPITSPLFUKFX-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF CC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359199 ZPWBRANFSJCFLK-WIYYLYMNSA-N 342.410 5.085 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C3CCCCC3)s1)O2 587408426 BSORYAXBDDYYIX-KRWDZBQOSA-N 341.476 5.393 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C)c1Cl)CC2=O 587461797 SZFISGGWXNDLCU-GOSISDBHSA-N 344.838 5.321 0 1 EKAF C[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524847 NPQSCSKEUZCQLU-NPMXOYFQSA-N 332.443 5.323 0 1 EKAF CC(C)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526178 RNSALAHOMNKFJV-GBXCKJPGSA-N 346.470 5.569 0 1 EKAF CCC[C@H](C)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812144 ILPSJWDTWRBTPB-JKDFXYPNSA-N 342.296 5.164 0 1 EKAF CCc1ccc(CC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946027 RMWCAOLLFNSADW-FQEVSTJZSA-N 325.427 5.567 0 1 EKAF Cc1cc(Cl)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949540 WHQNYIOKEZNKID-UHFFFAOYSA-N 348.833 5.908 0 1 EKAF CCCCc1oc2ccccc2c1[C@H]1NCCc2c1sc(C)c2C 963009074 KESSXKQTQFEBQM-HXUWFJFHSA-N 339.504 5.689 0 1 EKAF CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 1857538551 SMFYDTZGSABWPF-UHFFFAOYSA-N 339.870 5.520 0 1 EKAF CO[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356699054 ADVRQUCBLYRORP-ZDWTUXFCSA-N 332.484 5.187 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CC=C[C@H]1CCC(=O)O1 2356730626 WCLSJZFZJIIXNP-NRFANRHFSA-N 326.480 6.000 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H](OP(=O)(O)O)CCC[C@@]21C 28363363 QWULLKDMNZBLIE-HSFUPAIVSA-N 346.448 5.143 0 1 EKAF CC[C@H](c1ccc(O)cc1Cl)[C@H](CC)c1ccc(O)cc1Cl 40639542 QMFXLTJKQUFMNV-KBPBESRZSA-N 339.262 6.092 0 1 EKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCF 72106217 YSUDIWHOJVVLAF-GNYGEYGVSA-N 330.487 5.787 0 1 EKAF O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 72182380 ITLBPKXXBVQYGP-UHFFFAOYSA-N 349.817 5.018 0 1 EKAF Nc1cc(C(F)(F)F)ccc1-c1ccnc(-c2ccc(Cl)cc2)n1 101248174 HAYKWYXJTVOBTF-UHFFFAOYSA-N 349.743 5.065 0 1 EKAF Oc1ccc(C(=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c2ccc(O)cc2)cc1 136338048 MMDMIFJZBQXIPJ-SEVLPDGMSA-N 332.443 5.356 0 1 EKAF C(=C/c1cccc2c1ccn2CCCCn1ccnc1)\c1ccccc1 299832385 GDKHKECTYMDENM-VAWYXSNFSA-N 341.458 5.489 0 1 EKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3ccc(O)cc3)n2)cc1 473135415 OYHXPEMSWNQAGR-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)n1 587080251 ODKCXWFTMBFGAT-NSHDSACASA-N 330.863 5.348 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C1CCC1)C4)-c1ccccc1C2=O 587100336 GQKAUTFNMWSOGW-QGZVFWFLSA-N 325.411 5.194 0 1 EKAF COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114384 SRXWEJSKAPEEMV-GFCCVEGCSA-N 348.368 5.245 0 1 EKAF CCOc1ccc(OCC)n1CCCc1ccc(Cl)c(Cl)c1 587943390 YYJGGRJJMGXDCD-UHFFFAOYSA-N 342.266 5.225 0 1 EKAF Cc1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c(C)n1 587949434 GPLZQXXDFUNMDK-OUKQBFOZSA-N 341.414 5.537 0 1 EKAF CCc1ccc(C(=O)CCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587957008 PBZXMSVUBNCXKE-UHFFFAOYSA-N 334.463 5.238 0 1 EKAF CC=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356311179 SKSOMRHTXHIGIB-CBZNWHGESA-N 342.523 5.827 0 1 EKAF CO[C@@](C)(C=CCC(C)=CCCc1ccoc1)CCCc1ccoc1 2356464622 QEOMOIGEWTZICK-QFIPXVFZSA-N 342.479 6.126 0 1 EKAF Cc1ccc(F)c([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 13662091 IRFOEHYGMSKERJ-MPSQCAORSA-N 349.449 5.046 0 3 EKAF CCCc1cccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c1 13604793 QQQCOYYTOSHVOE-JOCHJYFZSA-N 340.463 5.227 0 1 EKAF CCCN(CC1CC1)c1cc(Nc2c(C)cc(C)cc2C)nc(C)n1 13759982 MZAHVHUFUALTHS-UHFFFAOYSA-N 338.499 5.080 0 1 EKAF Cc1cc(C)c(NC(=O)NCC2(c3ccccc3)CCCC2)c(C)c1 13833495 VJHUXJSNBHZCIU-UHFFFAOYSA-N 336.479 5.245 0 1 EKAF Clc1ccc(Sc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)cc1 26729321 NSTCJKNNDDBLMJ-YLJYHZDGSA-N 343.923 6.181 0 1 EKAF O=C(O)Cc1cc(Cl)c(-c2cccc3cc(O)ccc23)c(Cl)c1 28523072 WFYCNZXXXWEGHD-UHFFFAOYSA-N 347.197 5.146 0 1 EKAF c1ccc(-c2ccc(CNc3cccc(-c4c[nH]cn4)c3)cc2)cc1 34085299 MMEFELOIMGMTFW-UHFFFAOYSA-N 325.415 5.356 0 1 EKAF CC(=O)O[C@]1(C)CC/C=C(/C)C[C@@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 34430479 BYNSHSWWZXSBTC-DMHBGFSHSA-N 346.511 5.060 0 1 EKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21 72119831 IMGJLJWXTHYHIG-UHFFFAOYSA-N 342.442 5.611 0 1 EKAF COc1cc(/C=C\c2cc3ccccc3s2)cc(OC)c1OC 95561745 ZCDBCYWQRBDFOL-HJWRWDBZSA-N 326.417 5.098 0 1 EKAF Clc1csc2cc(Nc3nccc(-c4ccccn4)n3)ccc12 144181932 OIWIOLNTYJLNLM-UHFFFAOYSA-N 338.823 5.150 0 1 EKAF COc1cc2c(cc1[C@@H](C)N(C)Cc1ccccc1)C=CC(C)(C)O2 169326231 ZWPBDGYOXWSANE-MRXNPFEDSA-N 337.463 5.072 0 1 EKAF Cc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Cl 587084860 HULIINSGRXHKGB-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(Cl)cc1C)CC2=O 587458952 GERZYJFBAFJQKM-LJQANCHMSA-N 344.838 5.321 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(C)(C)C)CC1)CC2=O 587479590 IPCADPYYYPKZQF-NYHFZMIOSA-N 344.495 5.675 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)o1 587625044 ZYVNOQIEYWWWLN-UHFFFAOYSA-N 341.716 5.443 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1cccc(Cl)c1 587628518 MYPQNCLJNXXXFK-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF CC(C)CCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811797 HNWOCVFQVCJVDO-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587951623 HWHDEQCRMDSNDK-WDMOLILDSA-N 341.377 5.023 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587952617 USJSMGWAGQXXKY-CWSCBRNRSA-N 342.817 5.541 0 1 EKAF COc1ccc(-c2cc3ccccc3c(-c3cccc(O)c3)n2)cc1 1857773057 UHZYACUOYSSPGN-UHFFFAOYSA-N 327.383 5.283 0 1 EKAF Cc1cc(Cl)ccc1[C@@H](O)c1nc(-c2ccc3ccccc3c2)c[nH]1 61925985 SXQBWCAOWWSTOE-HXUWFJFHSA-N 348.833 5.273 0 3 EKAF COc1cc(OC)c(CC=C(C)C)c2c1C=C[C@H](c1ccccc1)O2 15115123 GTWNOIJIMUFLGQ-LJQANCHMSA-N 336.431 5.359 0 1 EKAF biogenic CC(C)CCCCCCCCCCCCCCCOC[C@@H](O)CO 15261831 JAUFWPNLLLUYNV-NRFANRHFSA-N 344.580 5.474 0 1 EKAF biogenic CC(/C=C/C=C/c1cc(C)c2cc(C(C)C)ccc(C)c1-2)=C\C(=O)O 26842948 OSDPNLDFPNZYTN-MARLPFOYSA-N 334.459 6.132 0 1 EKAF CCSC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27649018 QZYHZMLBKKTOQU-COWMIZEISA-N 346.536 5.168 0 1 EKAF CCCCCOC(=O)c1cc(O)c(-c2cc(C)cc(C)c2)c(OC)c1 28706786 KEGKPAUPNMAKJM-UHFFFAOYSA-N 342.435 5.032 0 1 EKAF COc1ccc(-c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2)cc1 95572133 WAAJEIGWGSZNPQ-UHFFFAOYSA-N 335.403 5.175 0 1 EKAF in-vitro CC(=O)O[C@H]1C(=O)[C@H]2[C@@H]([C@H](C)CCC=C(C)C)CCC(C)=CCC[C@H]21 253667885 SOAIWELMVRCOAD-ZEWLQOSNSA-N 346.511 5.252 0 1 EKAF Brc1cccc(/C=C/c2cc3c4c(cccc4n2)CC3)c1 587206926 ANXPIYOHTAPANB-JXMROGBWSA-N 336.232 5.266 0 1 EKAF C/C=C\c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365270 IWNYHKNMUQBITR-YWEYNIOJSA-N 329.399 5.998 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2O[C@@H]2CC3)c1 587366578 UKOJAKMMZADZSV-DYESRHJHSA-N 343.382 5.043 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H](C)C3)c1 587366870 NSMICTIUOFPVNE-GFCCVEGCSA-N 343.382 5.032 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3ccsc13)CC2=O 587497433 WCYGMNYQINZAFA-SFHVURJKSA-N 338.428 5.266 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3ccccc3cc2[nH]1 587932210 VQWKICJSUDNZHN-JTSKRJEESA-N 328.415 5.170 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]3CC2)O1 2356624703 KYCQOTHEQWKLOW-HRYLBOCVSA-N 346.555 6.107 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CCC3=C(CC[C@@H]4C(C)(C)CCC[C@]34C)C2)O1 2356635336 XDXYMZCWPWXFQU-DAVBRLECSA-N 346.555 6.251 0 1 EKAF CC1(C)CCC(C)(C)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21 5762191 KXJOGQVGIGUXDY-AATRIKPKSA-N 334.459 5.904 0 1 EKAF C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N2Cc3ccccc3N=C12 6003065 BUXQRRBNRBZXDV-BMLIUANNSA-N 349.286 5.673 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@@H]3[C@@H]1[C@@H]2C3(C)C 13376904 CUSONBTUCOAEMV-VZKMNXCRSA-N 331.459 5.930 0 1 EKAF endogenous,in-man Cc1cc2c(c3c1OCO3)[C@H](C)CC[C@H]2[C@H](C)CC(=O)CC(C)C 15268513 OOFUNMUFIROWEI-CPUCHLNUSA-N 330.468 5.346 0 1 EKAF biogenic Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(Cl)cc3)c2c1 29342355 HBTDAZOCLVNKKT-UHFFFAOYSA-N 345.833 5.881 0 1 EKAF c1ccc(OCCCCOc2c3ccccc3nc3occc23)cc1 43062318 DKDNWAWLAKSAGM-UHFFFAOYSA-N 333.387 5.219 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCC)cc2)n1 72182343 INAOUISPJXBTRG-MRXNPFEDSA-N 330.472 5.189 0 1 EKAF COC(=O)c1[nH]c2cccc(C)c2c1Sc1ccc(Cl)cc1 95584989 LCFQXKGFEKQVIO-UHFFFAOYSA-N 331.824 5.068 0 1 EKAF CCC(=O)[C@H]1[C@H](c2ccc(C(C)C)c3ccccc23)C[C@H]2CC[C@H]1N2C 253698630 RBRMVWHMOIEQRO-HJCAUHOKSA-N 349.518 5.509 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1ccc2ccccc2c1 299830416 ILFRDSIDVJVADW-UHFFFAOYSA-N 325.415 5.476 0 1 EKAF Cc1ccc2c(ccc3nc(-c4cc(Cl)nc5ccccc45)[nH]c32)n1 587085257 OUZFWBSNTRKRTJ-UHFFFAOYSA-N 344.805 5.288 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(C)C)[C@@H](C)C1)CC2=O 587483651 RGVKPPFRPWVBBF-ZSDSOXJFSA-N 330.468 5.141 0 1 EKAF C[C@@H](CC1CCCCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526856 UFLKTZCDVHFCEC-YCRPNKLZSA-N 326.480 5.506 0 1 EKAF Cc1ccc(C)c2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587875751 IBZHTHORZLQIJU-UHFFFAOYSA-N 337.379 5.011 0 1 EKAF CCCCc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922513 VIXJBURBTTWFJC-UHFFFAOYSA-N 329.415 6.098 0 1 EKAF CCCC[C@]1(CC(C)C)c2ccsc2CCN1Cc1ccco1 962711547 MDAWMHIMYUZHMR-FQEVSTJZSA-N 331.525 5.831 0 1 EKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCC[C@@H](C(C)(C)C)CC1 963602608 ABDFMNWIBODBMY-WJONJSRFSA-N 345.527 5.060 0 1 EKAF CCCC(CCC)C(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 1772605185 CARPSTIWEVQJCH-GOSISDBHSA-N 348.874 5.037 0 1 EKAF c1cncc(CSc2nc3ccccc3nc2-c2cccs2)c1 12942400 GHSYUXKAUPPTSS-UHFFFAOYSA-N 335.457 5.046 0 1 EKAF Oc1ccc(C(=C2CCC[C@H](CCCF)C2)c2ccc(O)cc2)cc1 13685689 KGHFEDXCHFONJK-MRXNPFEDSA-N 340.438 5.840 0 1 EKAF CN(C(=N)N(C)c1cccc2ccccc12)c1cccc2ccccc12 13733796 SEBJCZLKPBAXBL-UHFFFAOYSA-N 339.442 5.500 0 1 EKAF investigational CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@H](C)CC 13797902 ZRUKAIKMHYCHDJ-RACFYCFESA-N 346.599 7.947 0 1 EKAF Cc1cccc2cc(CNc3ccc(F)c(Cl)c3)c(Cl)nc12 66079077 GICMQKGSTIDLKR-UHFFFAOYSA-N 335.209 5.601 0 1 EKAF C[C@@H](C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 95555200 NNZLGZKXWZCOEH-CYBMUJFWSA-N 348.833 5.717 0 1 EKAF CCCCCc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1 95593963 HWYDJOMBMCGWCJ-UHFFFAOYSA-N 330.493 5.177 0 1 EKAF O=C(O)CCCOc1ccc(-c2ccccc2Oc2ccccc2)cc1 215791989 RRKJCHFRHOQLNR-UHFFFAOYSA-N 348.398 5.390 0 1 EKAF CC(C)=CCc1c(/C=C/c2ccccc2)cc(O)c2c1OC(C)(C)C=C2 238787209 AGAKPVPGUZJFHK-VAWYXSNFSA-N 346.470 6.256 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)cccc2[nH]1 587066229 KMUAAESNKCGHNE-UHFFFAOYSA-N 342.229 5.636 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC=C[C@@H]32)c1 587367764 UNTGTTPKGOZBJY-CVEARBPZSA-N 339.394 5.797 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CCCC[C@@H]3C1)CC2=O 587478289 FOBRGSJOKUVFPV-PZPWOCDFSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CCCC[C@H]3C1)CC2=O 587478294 FOBRGSJOKUVFPV-WIEQDCTASA-N 328.452 5.039 0 1 EKAF O=C1C[C@H](c2c(F)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587508206 SYVFMEILDULMRE-MRXNPFEDSA-N 348.776 5.204 0 1 EKAF CC[C@]1([C@@H](C)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524640 PKYXJJOLXQQRDP-QMHKHESXSA-N 334.459 5.483 0 1 EKAF C[C@]1([C@@]23C[C@@H]4C[C@H]2C[C@@H](C4)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526026 UTNHNTFULUSICA-DZYROQGGSA-N 336.475 5.116 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cccc3C)c2c1 587643428 UHPQLRKLPYSGPM-ZDUSSCGKSA-N 334.463 5.859 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)F)c2c1 587643717 WBQSZDISBDILGS-LLVKDONJSA-N 345.364 5.935 0 1 EKAF Cc1c(Cl)ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962148 SVTVZKVWMHEULJ-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CC(C)(C)[C@]1(c2ccccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963115904 WGCVUBOJTDSNJB-VGOFRKELSA-N 341.445 5.275 0 1 EKAF Clc1ccc(Nc2nnc(-c3c[nH]c4ccccc34)o2)cc1Cl 1772574107 FNASPJQSJYPZCF-UHFFFAOYSA-N 345.189 5.268 0 1 EKAF Clc1ccc(Nc2nc3c(s2)[C@H](OC2CCCC2)CCC3)cc1 1857655349 XAFOKHHYAHLNRC-MRXNPFEDSA-N 348.899 5.877 0 1 EKAF CC1=C(CCC2=CC=CC(O)=COC2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38822325 MAEKWBKBDRQLTC-JTHBVZDNSA-N 342.523 6.622 0 1 EKAF biogenic CC(C)(C)c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897749 ISMMYCWNCDQONU-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF CC(C)(C)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587529627 AKHBZDWFHWZQPG-OAQYLSRUSA-N 340.488 5.534 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)c(F)cc3[nH]2)c1 587779552 ASKJJJMGROORNK-UHFFFAOYSA-N 346.405 5.743 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587930062 CGVYISBFUIITPR-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF CC1=CC[C@H](C(C)C)c2cc(C)c(OC(=O)c3ccc(C)cc3)cc21 1772632125 PFNGBKHCAWGFGG-LJQANCHMSA-N 334.459 6.069 0 1 EKAF CC1=C2[C@@H](Nc3ccccc3C(=O)O)C[C@@H](C)[C@@]23CC[C@@H](C3)C1(C)C 2356540660 FUHKTMCSLBNMMQ-LSEHSQCNSA-N 339.479 5.348 0 1 EKAF C[C@@]12C=C(/C=C/c3ccccc3)[C@@](C)(C1)[C@@H](c1ccccc1)CC2=O 13783098 LGLMIMABSGWABG-UUJCRDSRSA-N 328.455 5.799 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(CO)cc2C)c1C 14975001 ZPIYVPMKURAFTK-UHFFFAOYSA-N 343.467 5.167 0 1 EKAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OCC(C)=C2CC/C(C)=C/CC1 15154278 UMWCCWVWWMKNLD-PJYZZHRXSA-N 330.468 5.048 0 1 EKAF Cc1ccc(S[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 38287385 BRJYNDCGYYLNON-QFIPXVFZSA-N 332.468 6.101 0 1 EKAF O=C(NCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1 45484332 WZSGWNPOHRAUQO-UHFFFAOYSA-N 345.442 5.465 0 1 EKAF in-vivo Cc1noc(C)c1-c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1 95921428 WPKUYRYYDUHEAQ-UHFFFAOYSA-N 337.810 5.010 0 1 EKAF in-vitro c1ccc(CCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753837 YJWKPDMZHMZMRC-XMSQKQJNSA-N 330.475 5.252 0 1 EKAF Cc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Cl 587049937 JRMNQUXTSYDWLU-UHFFFAOYSA-N 342.229 5.636 0 1 EKAF CSc1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587170914 GMYMRALQTKSZNZ-NSHDSACASA-N 332.469 5.320 0 1 EKAF Cc1nc2cccc3c2c(c1CC1CCCCC1)-c1ccccc1C3=O 587207450 UCOBCBGHDCZKTN-UHFFFAOYSA-N 341.454 5.877 0 1 EKAF Cc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1Br 587275550 BOADSRRJFNINLJ-UHFFFAOYSA-N 349.611 5.388 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)C3)c1 587364748 CJTSGBZUTULICO-UHFFFAOYSA-N 343.426 5.781 0 1 EKAF CC/C=C\CCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446238 VJXMIPUTRWJESJ-JTDRTSHGSA-N 328.452 5.118 0 1 EKAF C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524843 NPQSCSKEUZCQLU-IQMFZBJNSA-N 332.443 5.323 0 1 EKAF CC[C@]1(c2ccc(C(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526360 VCBNREMGGNIWCO-XMMPIXPASA-N 348.486 5.960 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(CN(C)C)c2c1 587643992 YIFZFSVYJMFNEM-HNNXBMFYSA-N 336.479 5.419 0 1 EKAF COc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1F 587950993 HWUSDOLDAMMXDH-LBPRGKRZSA-N 336.366 5.004 0 1 EKAF CC[C@@H]1CCC[C@@H]([C@@H]2c3ccsc3CCN2Cc2cccn2C)C1 962373387 LPZSJNGBVHMPNT-CBGDNZLLSA-N 342.552 5.402 0 1 EKAF COC(=O)C=C(C)CCC=C(C)CCC=C(C)[C@@H](O)CC=C(C)C 2356608170 HCXCHLMRBYGRPU-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CC(=C[C@H]1CC(=CCCc2ccco2)CO1)CCCc1ccoc1 2356611175 MUPVGCNZKUSTBT-NRFANRHFSA-N 326.436 5.490 0 1 EKAF C=C(Cl)C(=CBr)CCC(Br)=C(C)C 2356616813 HADZLPWHSAKXHN-UHFFFAOYSA-N 328.475 5.487 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCCCc1ccccc1 15924637 FBUMDCXFXMWKCL-QFIPXVFZSA-N 349.522 5.208 0 3 EKAF Fc1ccc(-c2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 29130129 QWJJXQUAGKHZDN-UHFFFAOYSA-N 341.600 5.263 0 1 EKAF Cc1c(C)n(CC(C)C)c2c(OCc3ccc(F)cc3)nccc12 35812528 FFDBSHURMPZYPV-UHFFFAOYSA-N 326.415 5.027 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CF)C[C@@H]21 66099143 FXMUDGJSNZLEIN-IAGOWNOFSA-N 332.459 5.685 0 1 EKAF CCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21 96938009 KPTWUUQQFGTICM-UHFFFAOYSA-N 336.479 5.467 0 1 EKAF CC(C)(C)C1=NN(c2ccc(F)c(Cl)c2)[C@H](c2ccc(O)cc2)C1 299832074 RIAXPOVTXFEXGN-KRWDZBQOSA-N 346.833 5.538 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2ccc(Br)cc2[nH]1 586884212 RGUOUNQHMYTCCY-UHFFFAOYSA-N 337.220 5.454 0 1 EKAF Cc1cncc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124045 HYUPUMZLUWTXOG-DAXSKMNVSA-N 335.354 5.049 0 1 EKAF Fc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125306 PFLVHWFVKWDJFR-FPYGCLRLSA-N 338.329 5.484 0 1 EKAF COc1ccsc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209930 XNXBEUBHQCVAKM-UHFFFAOYSA-N 343.407 5.183 0 1 EKAF CCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366315 KTVSHWRSSACPAZ-UHFFFAOYSA-N 345.442 6.389 0 1 EKAF O=C1C[C@H](c2cc(F)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587507993 WZGPQTMFQRAQKI-GOSISDBHSA-N 330.786 5.064 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C)c(C)c3[nH]2)cc1 587938312 UTKQWBZQPYNKJI-NRFANRHFSA-N 342.442 5.369 0 1 EKAF CCC[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C 587954867 HBDGMJHUPVMFSO-JTQLQIEISA-N 329.669 5.519 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587967558 LAJHBWBGDWNQRE-YRNVUSSQSA-N 326.337 5.871 0 1 EKAF CCCCCC1=CCC[C@@]12c1cccc(Br)c1CCN2C 963270886 RUVUYQSFXRWDME-IBGZPJMESA-N 348.328 5.433 0 1 EKAF CC1=C2[C@H](/C=C(\C)C(=O)NCc3ccc(F)cc3)CC[C@@H](C)[C@H]2CC1 1772650751 DAVUQBKACMLZJU-IGXOHMADSA-N 341.470 5.161 0 1 EKAF C=CC1=C(C)[C@@H]2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 2356532796 YHLITXUMLUPSSE-YIUJWAEMSA-N 330.512 5.683 0 1 EKAF CCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2 12726599 UAYSZKBXUKXDIN-UHFFFAOYSA-N 330.840 5.170 0 3 EKAF CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1 95552744 MQJFGYCFWQIDTC-KRWDZBQOSA-N 342.870 5.073 0 3 EKAF FC(F)(F)c1cc(Nc2nc3cc(Cl)ccc3[nH]2)ccc1Cl 40845137 UAQVDTCDICGYIK-UHFFFAOYSA-N 346.139 5.632 0 1 EKAF C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1cccc(F)c1 40901180 FYZFBWGIHKEOHV-VFNWGFHPSA-N 346.405 5.028 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCCC)cc2)n1 72103866 CYFVZMRZYLRIRG-QGZVFWFLSA-N 344.499 5.579 0 1 EKAF Cc1c(Br)ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885881 XIVQBNYVSYSICF-RSLFNQERSA-N 345.284 5.102 0 1 EKAF C[C@H](c1nc2cnc3ccccc3c2[nH]1)c1ccccc1C(F)(F)F 587096992 GCEUUXJXTFPCDI-NSHDSACASA-N 341.336 5.282 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C1CCCC1)CC3 587208177 QXISMVPBIKARDZ-OAHLLOKOSA-N 339.438 5.666 0 1 EKAF O=C1c2ccccc2-c2cc(C34CCC(CC3)CC4)nc3cccc1c23 587208516 XNHANFXIBJEMGO-UHFFFAOYSA-N 339.438 5.668 0 1 EKAF c1ccc(-c2nn3ccccc3c2-c2cc3c4c(cccc4n2)CC3)cc1 587212648 PLAXYXLYZFDUOT-UHFFFAOYSA-N 347.421 5.315 0 1 EKAF Cc1cc(Cl)cc(Cl)c1OCC(=O)c1coc2ccccc12 587281043 QVSYSCROPZUIGL-UHFFFAOYSA-N 335.186 5.310 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)C1CCCCC1)CC2=O 587491794 ZLDXLWYGBNIISO-SPLOXXLWSA-N 330.468 5.285 0 1 EKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587505965 MKHSRJOBBNVUGR-LJQANCHMSA-N 326.823 5.234 0 1 EKAF CSc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533292 RWUUZFVZCAGMHI-OAQYLSRUSA-N 338.472 5.168 0 1 EKAF Cc1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)cc1C 587920890 PTLFRVYAMJCJON-UHFFFAOYSA-N 334.271 6.401 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587932745 ZDZPBHBREBXRBU-SCLBCKFNSA-N 346.352 5.036 0 1 EKAF Cc1ccc(-n2ncc3c2-c2[nH]c4ccccc4c2C(C)(C)C3)cc1 621485958 WDMOEQNTHCRBJS-UHFFFAOYSA-N 327.431 5.163 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CC(=O)c1ccc(C)cc1 963239000 INZHBKJGERICGV-WZONZLPQSA-N 335.491 5.140 0 1 EKAF COc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1OC 1772653319 UDHOBLUOVHCOIB-UHFFFAOYSA-N 325.433 5.111 0 1 EKAF CCN(CC)Cc1cc(-c2ccccc2F)n2c1cnc1ccccc12 1857637965 KQSGSKFSYIMZEJ-UHFFFAOYSA-N 347.437 5.135 0 1 EKAF CC[C@H](C)c1cc(C=O)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 1857647208 PNLHUIDGMGFJOU-LBPRGKRZSA-N 340.806 5.643 0 1 EKAF CN(C)CCS[C@@H]1Cc2ccccc2Oc2ccc(Cl)cc21 27554923 GZIMOUVKSHKRKL-GOSISDBHSA-N 333.884 5.024 0 1 EKAF Fc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28119912 BJMYKJMKKNFOSC-ZRZAMGCNSA-N 344.433 5.243 0 1 EKAF CC(C)(C)/C=C1\C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568345 GJYCOULXILNZBK-HACVGZGESA-N 340.507 5.192 0 1 EKAF in-vivo Clc1ccc(Oc2c3c(nc4ccccc24)CCCC3)c(Cl)c1 35015307 OYFPUNOABNJOIQ-UHFFFAOYSA-N 344.241 6.213 0 1 EKAF CN[C@@H](C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1 40979387 UDPHDSFZPAJMRT-JTQLQIEISA-N 326.223 5.075 0 1 EKAF O=C1Cc2ccccc2Cc2cc(Nc3ccc(F)cc3F)ccc21 49114072 GVFVGZBFBRMHER-UHFFFAOYSA-N 335.353 5.038 0 1 EKAF COc1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl 71294958 VKLLEZBBYHOARY-UHFFFAOYSA-N 345.440 5.957 0 1 EKAF C/C(=C\c1c[nH]c2cc(C)ccc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271141 RNPQFECPGZQUEL-DTQAZKPQSA-N 346.474 5.816 0 1 EKAF C1=C2\CC[C@H](Sc3ccccc3)[C@@H]2C2(CCCCC/1)OCCO2 104277031 IFZRGLLWHBHOTE-XLRIHDRJSA-N 330.493 5.191 0 1 EKAF CCC(=O)C(CCCCCCOc1ccc(Cl)cc1)C(=O)CC 138194475 DEEDFQYTXXAGHX-UHFFFAOYSA-N 338.875 5.244 0 1 EKAF CO[C@H](CCN(Cc1ccccc1)C(C)C)c1ccc2ccccc2c1 145197158 UTCVPZGLLNXLLM-XMMPIXPASA-N 347.502 5.828 0 1 EKAF CO[C@H]1OC(=O)/C2=C/C/C=C(\C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]21 238750423 ADVRQUCBLYRORP-GFOZPZANSA-N 332.484 5.187 0 1 EKAF COc1ccc2c(c1)SCc1cnc(-c3ccc(Cl)cc3)nc1-2 473151285 PCAIMSYVYXGTNM-UHFFFAOYSA-N 340.835 5.078 0 1 EKAF CCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990386 CRINJXZTBNBBDM-UHFFFAOYSA-N 331.415 5.275 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587048557 IIGAWFGMCVPUND-ZJUUUORDSA-N 343.217 5.017 0 1 EKAF Cc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1C 587070840 XMXFSTWPQXPYGG-CYBMUJFWSA-N 326.827 5.210 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCC(C)(C)C4)-c1ccccc1C2=O 587100043 DXLJBMXFPMOEKJ-UHFFFAOYSA-N 327.427 5.270 0 1 EKAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(F)c1 587151354 YQSRHCXGAZEKIM-DUXPYHPUSA-N 342.242 5.169 0 1 EKAF Fc1cncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587176963 KIUBPWODTDTVQK-UHFFFAOYSA-N 346.390 5.041 0 1 EKAF Cc1[nH]c2ccc(F)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505539 IXPSXICCUYVMIK-HXUWFJFHSA-N 349.405 5.201 0 1 EKAF O=C1C[C@H](c2cccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587509793 WQFAUCOWFQMLLV-QGZVFWFLSA-N 330.786 5.064 0 1 EKAF Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631829 WKGOCMVYZUPLQZ-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CCO[C@@H](C)c1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2N)cc1 587641421 FVKDTHYFHHIWEG-CABCVRRESA-N 336.479 6.028 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)CCCC3 587952213 NAFGUCSYDACRCX-OGWOLHLISA-N 326.484 5.488 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)c(C)nc2[nH]1 587967317 GWFGQTDNSUNVFU-FLIBITNWSA-N 334.261 5.179 0 1 EKAF COc1ccc2cc([C@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2c1 1252601251 WYIKBKIRYZNULO-HNNXBMFYSA-N 344.414 5.359 0 1 EKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCN)c2ccc(O)cc21 26578865 SQHZZYRZGACALB-HXUWFJFHSA-N 337.463 5.035 0 1 EKAF CC(=O)c1cccc(C2=C(C(C)C)c3cc(C(C)=O)ccc3C2(C)C)c1 27875097 DXTUCICQXWFSDG-UHFFFAOYSA-N 346.470 5.950 0 1 EKAF C[C@H]1CCc2ccccc2N1Cc1coc(-c2ccccc2Cl)n1 72142912 OAYMKFFZLDXXSE-AWEZNQCLSA-N 338.838 5.336 0 1 EKAF CCN(Cc1coc(-c2ccccc2C)n1)c1cccc2ccccc12 72184327 FLXMMSXBVXWQLN-UHFFFAOYSA-N 342.442 5.830 0 1 EKAF C[C@H]1[C@H]2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc14 100935468 KOODECODLWKEAK-XXEARWCOSA-N 344.502 5.255 0 1 EKAF CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)Cc2ccco2)C1 103274460 ZLMHWEKLLGOBIL-VCFYHUQZSA-N 340.551 7.181 0 1 EKAF CC1=CC[C@@H](OC(=O)c2ccccc2)C(C)=C[C@H](O)C(C)(C)CCC1 299811605 JRSLQKPYZJDQRG-UXHICEINSA-N 342.479 5.066 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)cc1 586881106 SIPINXMGIZYXCB-UHFFFAOYSA-N 340.426 5.716 0 1 EKAF Cc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1C 586895173 SGDIGOAQTJNYSN-UHFFFAOYSA-N 328.415 5.006 0 1 EKAF CCc1ccc2nc(-c3ccc(CC)c(Br)c3)[nH]c2c1 586978239 XXPWZYDLPXZKGA-UHFFFAOYSA-N 329.241 5.117 0 1 EKAF Cc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587050594 PVYUAFCJHWWVIM-VXGBXAGGSA-N 331.246 5.758 0 1 EKAF Clc1ccc(C2(c3nc4ccc5ncccc5c4[nH]3)CCC2)cc1 587074098 PUBZQYZAKNEKCI-UHFFFAOYSA-N 333.822 5.235 0 1 EKAF FC(F)(F)c1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085276 QBZDNSUAHKDXPQ-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF Cc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103973 LMGVPWIHBNMRGF-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CCCC[C@H]1C3 587207438 KSJJHPCBTKZFHF-GJZGRUSLSA-N 339.438 5.351 0 1 EKAF COc1cccc(-c2cc(CCSC)nc3c2oc2ccccc23)c1 587364681 GIVBDWSMFQQBNN-UHFFFAOYSA-N 349.455 5.562 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(F)c1)CC2=O 587466469 LSEUSTONKRVSSL-LJQANCHMSA-N 348.801 5.018 0 1 EKAF CCCCC1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 587477676 DZYIUYGSPJVUGY-UHFFFAOYSA-N 330.468 5.429 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(C)cc(F)c4[nH]3)ccc2c1 587934738 NRAGNKJXSQTETO-CYBMUJFWSA-N 334.394 5.324 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(F)c(Br)c2[nH]1 587967077 GUTFMNTYMLUYTM-LUAWRHEFSA-N 337.236 5.614 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@]45C[C@@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772608156 OUHVEACSDYIANY-RHDBEPCPSA-N 345.486 5.217 0 1 EKAF O=c1c(O)c(-c2csc3ccccc23)oc2cc(Cl)ccc12 1857549505 QQRSIWDBLBYWOX-UHFFFAOYSA-N 328.776 5.034 0 1 EKAF CCC=CCC=CCC=CCCCCC=CCCCCCC(=O)O 2356459654 UOFNKTZBIIBWQR-UHFFFAOYSA-N 332.528 6.997 0 1 EKAF CC(=O)OCC=C(C)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356571634 XAYGDGVRGSNBDV-ZDFPQIBNSA-N 332.528 6.075 0 1 EKAF CC(C)[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccc(Cl)cc1 6270876 JSPSFVSQBCVECE-MRXNPFEDSA-N 344.867 5.328 0 1 EKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(Cl)cc2C)cc1 40894136 TUKCDTHIERMZLR-HXUWFJFHSA-N 340.854 5.364 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O)[C@]1(C)CCC(=O)O1 299855505 FMCVIMRVTTZJJB-HXNVHFGHSA-N 348.527 5.642 0 1 EKAF CC[C@H](C)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991069 QTXBNSPHBQVJDP-STQMWFEESA-N 343.426 5.228 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3c(Cl)ccnc3[nH]2)cc1F 587145904 UUFQCQIXTRBEMO-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF Clc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Br 587207463 FFOTYJZXHANYQW-UHFFFAOYSA-N 344.639 5.416 0 1 EKAF O=C(c1sc2cc(Cl)ccc2c1Cl)c1coc2ccccc12 587281056 RNYMBHDPSZBSBT-UHFFFAOYSA-N 347.222 6.185 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C3CCCC3)C1)CC2=O 587476735 AQSVDHKAPJGMOM-BTYIYWSLSA-N 328.452 5.039 0 1 EKAF Cc1ccc([C@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587527407 VCJPYZMTHSIGPQ-ZJSXRUAMSA-N 346.470 5.546 0 1 EKAF O=C1C[C@@H](c2cccc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587533528 QUSRGPVQQPONQB-QFIPXVFZSA-N 344.410 5.131 0 1 EKAF Clc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956597 UDCYFWKBMLSIRA-SFHVURJKSA-N 332.834 5.591 0 1 EKAF Cc1cc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c(F)c1 1772575507 YDQMUJWGKQHWTN-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CC(=CC=C[C@@H](C)C=CCC(C)C)CC[C@H]1C=C(C(=O)O)CCC1 2356561102 POOTZJVXDGHNMQ-ICSRJNTNSA-N 330.512 6.319 0 1 EKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](C)[C@H](O)[C@@H]4C[C@]43CC[C@@]12C 2356726897 ACKTWDWKZZRKCJ-VNFOINCVSA-N 344.583 6.218 0 1 EKAF O=C1c2c(Cl)cc(Cl)cc2OC[C@H]1Cc1ccc(Cl)cc1 3637254 RRICXSUQKJIROQ-SNVBAGLBSA-N 341.621 5.081 0 1 EKAF Cc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1 4266289 SZOWAIVUSZXVEK-UHFFFAOYSA-N 331.444 5.279 0 1 EKAF aggregator CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]12 13302256 VVMIBRAYCQENEA-FSSWDIPSSA-N 342.479 5.024 0 1 EKAF biogenic CCCCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1OC 26387486 RKVHAWULYXIBGC-UHFFFAOYSA-N 346.858 5.183 0 1 EKAF CCc1ccc(Cc2ccc([C@@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26641158 MFHLHGZNTQECQS-OAHLLOKOSA-N 348.442 5.190 0 1 EKAF CCCCc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1 26645121 QJELWRWXKSFCIG-UHFFFAOYSA-N 335.447 5.495 0 1 EKAF CC[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826839 LASZSIUHSRRUPB-QGZVFWFLSA-N 345.467 6.010 0 1 EKAF in-vivo CN[C@H]1C[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 29487702 YDABULYRFHFFMF-BBRMVZONSA-N 325.761 5.155 0 1 EKAF COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1 169350834 OOKMZXJGFRFQQG-UHFFFAOYSA-N 346.521 5.370 0 1 EKAF CSc1nn(-c2ccccc2)c2cc(/C=C/c3ccccn3)ccc12 169706047 AKIBMGAUKQOWHD-ZRDIBKRKSA-N 343.455 5.313 0 1 EKAF c1ccc(Cc2ncc(-c3nc4ccc5c(c4[nH]3)CCCC5)s2)cc1 587021954 RLHGUQQIXNQJGY-UHFFFAOYSA-N 345.471 5.156 0 1 EKAF Cc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1C 587075419 IYRSPLIUFXOFMB-GOSISDBHSA-N 339.870 5.170 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)[C@H](C)CC4)-c1ccccc1C2=O 587100395 ISIBAGVQHHNNEW-OCCSQVGLSA-N 327.427 5.440 0 1 EKAF CCCc1c(CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364821 DYLUSPNBNJKOMA-UHFFFAOYSA-N 345.442 6.172 0 1 EKAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C 587366127 SFELEUKJNVEXOS-UHFFFAOYSA-N 345.442 6.342 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C)c2c1 587638397 GBBJXZFJXVTFQX-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)cc(O)n4C)c(C)c2c1 587641484 GIEBCVORXQWPJW-CYBMUJFWSA-N 332.447 5.854 0 1 EKAF Cc1ccc(C)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587949602 ILGZDGASSJSCNL-UHFFFAOYSA-N 328.415 5.563 0 1 EKAF COc1ccc(-c2nc3ccccc3n2-c2cccc(Cl)c2)cc1 1772620106 BZSCZLWRGFRLIE-UHFFFAOYSA-N 334.806 5.355 0 1 EKAF CCCN(CCC)[C@@H]1CCc2c(cccc2-c2ccccc2F)C1 1911584032 RLXZAYUUXHINJQ-GOSISDBHSA-N 325.471 5.472 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCC[C@H](O)C(=O)O 2356462981 LMEGQFGNKLZNEC-PMACEKPBSA-N 342.564 6.330 0 1 EKAF COC(=O)c1cc(OC)c2c3c1[C@H](C=C(C)C)C[C@H](C)[C@H]3CC[C@@H]2C 2356515111 AUCRCYRJNKCLRT-CAOSSQGBSA-N 342.479 5.552 0 1 EKAF COC(=O)[C@H](C)C=CC=C(C)C1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356805752 ZWNCGUAPZPVWIM-SELNLUPBSA-N 344.539 6.241 0 1 EKAF C1=C(c2ccccc2)CCN(C[C@@H]2CCC=C(c3ccccc3)C2)C1 3792322 XBGWTWPYCTZIIE-HXUWFJFHSA-N 329.487 5.659 0 1 EKAF investigational CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1c(O)ccc2ncoc12 15148666 LXWIJLMRFWGTQK-PYYHNFOQSA-N 339.479 5.875 0 1 EKAF biogenic CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)(C)C1 71789453 ZSHBZCXOMHHPCE-SFTDATJTSA-N 338.624 6.021 0 1 EKAF Clc1cccc([C@H]2C3=C(CCC3)Nc3cc4c(cc32)OCO4)c1 101708087 GWBPIVXNDUUQGD-IBGZPJMESA-N 325.795 5.064 0 1 EKAF COc1ccc2c(c1)[C@]13CCC[C@H](C)[C@H]1[C@H](C2)N(C=C1CCC1)CC3 195228131 GXHZDJZDYXULJN-YMPRXVIZSA-N 337.507 5.067 0 1 EKAF O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1 201320404 ZKSBQGIGXSVVBC-UHFFFAOYSA-N 343.451 5.779 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1c(F)ccc(Cl)c1F 299838018 PZLABNDMLCKWFV-UHFFFAOYSA-N 345.780 5.254 0 1 EKAF CCCCC/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992703 YASZEFPTMZLXII-TWGQIWQCSA-N 343.426 5.745 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 587020043 DGEDTIGIJJMCCL-UHFFFAOYSA-N 349.459 5.191 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3CC3(Cl)Cl)nc3cccc1c23 587103790 LLAFMLWQEKTJDU-CQSZACIVSA-N 340.209 5.107 0 1 EKAF COc1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1F 587152697 DCBMOMOLLVQYSZ-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF CSc1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587248757 DAUQYHKVFPJUNN-UHFFFAOYSA-N 331.444 5.201 0 1 EKAF CC(C)[C@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521651 DATFRCDBUYEDDO-FCHUYYIVSA-N 334.459 5.339 0 1 EKAF CC(C)(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524691 MAYNVQMWDPKFMO-SFHVURJKSA-N 334.459 5.267 0 1 EKAF CCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598527 BLHQZLVGZMMCLX-NQIIRXRSSA-N 340.419 5.083 0 1 EKAF O=C(c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587629749 GCKXVBYUWUFXBZ-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1-c1ccc(Cl)cc1Cl 587642509 SVLHVZDTUMLMNY-LBPRGKRZSA-N 346.301 7.218 0 1 EKAF Clc1cc(Cl)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781548 WWIHOQGBXLIBRH-QPJJXVBHSA-N 333.218 5.100 0 1 EKAF CCCc1ccc([C@]2(CC)c3ccccc3C[C@@H](C)N2CCC)cc1 963235043 FKCJALYMXUBPDE-NTKDMRAZSA-N 335.535 5.949 0 1 EKAF Cc1ccncc1NCc1cn(Cc2ccccc2)c2ccccc12 1772609269 AURWBILZPXPODH-UHFFFAOYSA-N 327.431 5.005 0 1 EKAF O=c1cc(-c2ccc(-c3cccc4ccccc34)cc2)oc2ccccc12 1772657385 OHEMRNXSTUXEJS-UHFFFAOYSA-N 348.401 6.280 0 1 EKAF CCCO[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356349464 FZEADSGDYUIZQS-PPUJWOGTSA-N 332.528 5.105 0 1 EKAF COc1c2c(c(CC(=O)CC(C)C)c3c(C)coc13)[C@H](C)CCC2 2356515362 MFSQGLQSRFRBTC-CYBMUJFWSA-N 328.452 5.347 0 1 EKAF COc1cc(O)cc(C=C2[C@H](C)CC[C@@H]3C(C)(C)CCC[C@@]23C)c1O 2356583876 LDISHKNDKIDRQP-WTGRHJARSA-N 344.495 5.752 0 1 EKAF C=CN(O)NCCCCCCCC(=O)CCCCC[C@H](C)CC 2356852818 QTSYOLZPJYWNEY-GOSISDBHSA-N 326.525 5.232 0 1 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1ccccc1OC 205704994 MUMYLTMLKBBKAJ-VDUSKEEQSA-N 347.524 5.548 0 3 EKAF CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 40896555 BEJKUIRPKMIZPE-KRWDZBQOSA-N 344.285 5.888 0 1 EKAF CCCC[C@@]1(O)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 49792874 XLESGGWVABTUMR-XPDLTSPISA-N 344.539 5.440 0 1 EKAF CN(C)C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1 60222932 KGUZMQFHAMMIHH-UHFFFAOYSA-N 339.376 5.367 0 1 EKAF C[C@](Cc1ccccc1)(C1=Cc2ccccc2C1)[C@H](O)c1ccccc1 71416560 PUWJPZHWARIESC-RPBOFIJWSA-N 340.466 5.609 0 1 EKAF c1ccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)nc1 72175628 MXZOSSXQDQZFNJ-UHFFFAOYSA-N 342.423 5.432 0 1 EKAF COC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 82047534 BIPDREOVFWTNOY-WVIAUDPISA-N 348.527 5.168 0 1 EKAF C[C@@H](CNc1cc(Oc2cccc(Cl)c2)ncn1)c1ccccc1 82068413 RLHWJJIVHPSSPE-AWEZNQCLSA-N 339.826 5.138 0 1 EKAF NCCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 84604288 RPNHICMPPMSPNL-UHFFFAOYSA-N 335.878 5.413 0 1 EKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccco3)c2)cc1 95552626 VATGJQKFORRITE-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCCCCOc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 95561716 DRXOJYVPNBKYJC-INIZCTEOSA-N 326.440 5.138 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C 149698849 VYSMXKSBLCBXET-RCZSKKKRSA-N 344.495 5.256 0 1 EKAF Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)s1 196497277 IZYPLBZMRHBHME-UHFFFAOYSA-N 329.428 5.243 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 238751116 XAYGDGVRGSNBDV-SKFCTJCTSA-N 332.528 6.075 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586878214 FEOROIUMVZIWAI-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cncc(Cl)c4[nH]3)c(C)s2)cc1 587013593 SFLICEBIIKZBOP-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF Fc1cc(Cl)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060521 GUBIVBNRBCUNCZ-UHFFFAOYSA-N 348.164 5.331 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(OC(C)C)cc2[nH]1 587156009 QLFGKYHIARQJLW-KRWDZBQOSA-N 328.387 5.019 0 1 EKAF Fc1ccc(/C=C(\c2nc3cccc(F)c3[nH]2)c2cccs2)cc1 587162428 AWVGGBVNCUVMRH-KAMYIIQDSA-N 338.382 5.492 0 1 EKAF Fc1ccc2c(-c3nc4ccc(F)c(Br)c4[nH]3)coc2c1 587173785 ADMVPWUDMHWPGV-UHFFFAOYSA-N 349.134 5.017 0 1 EKAF Cc1c(-c2cc3c4c(cccc4n2)CC3)cnn1-c1cccc(Cl)c1 587209642 VHKLCABDZBJOGR-UHFFFAOYSA-N 345.833 5.148 0 1 EKAF O=C(c1ccc(F)c(Cl)c1F)c1coc2ccc(Cl)cc12 587277768 ASQVEFLKNBDIEN-UHFFFAOYSA-N 327.113 5.249 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3)cc1)O2 587407209 YUQRKJZIQUPTCH-QHCPKHFHSA-N 343.426 5.125 0 1 EKAF CCc1ccc(NC(=O)c2c(C)[nH]c3ccc([C@@H](C)CC)cc23)cc1 587640987 CZQZWJRSFCDWGQ-AWEZNQCLSA-N 334.463 5.805 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)OC)c2c1 587642165 PVLAFIPGZFUNQB-QMMMGPOBSA-N 349.299 5.122 0 1 EKAF CCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820007 NOTPYPFKLUVZMQ-RISCZKNCSA-N 328.269 5.134 0 1 EKAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(C(C)(C)C)c3[nH]1)CC2 587947111 SUTXUJFAVXBSTR-HNNXBMFYSA-N 334.463 5.142 0 1 EKAF C/C(=C\c1nc2ccc(Br)c(F)c2[nH]1)C1CCCCC1 587969179 WCYYXGKUEVFJET-MDZDMXLPSA-N 337.236 5.448 0 1 EKAF CC(C)c1ccc(Nc2cc3c(cn2)nc(-c2ccccc2)n3C)cc1 74388887 FERSFLJZLMKWPT-UHFFFAOYSA-N 342.446 5.502 0 3 EKAF Cc1ccc2nc(-c3ccc(NCc4cccnc4)cc3)sc2c1 211174 FVFJOMPOJQBMDB-UHFFFAOYSA-N 331.444 5.279 0 1 EKAF Clc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12 5775986 NCMYBYUBAVNQLD-UHFFFAOYSA-N 331.806 5.694 0 1 EKAF CN(C)[C@H]1C=C[C@@]2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 13649956 FZXSXMYFIZKXPT-SIKLNZKXSA-N 335.878 5.390 0 1 EKAF Clc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)c3c2CCCC3)cc1 13835371 NRAWDOUOQWSMJF-UHFFFAOYSA-N 342.269 6.534 0 1 EKAF CCOC(=O)c1[nH]c2cccc(C)c2c1Sc1ccc(Cl)cc1 95584370 RKHZKSLLFLIWDH-UHFFFAOYSA-N 345.851 5.458 0 1 EKAF COc1ccc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c1 96142774 DZJAEABNWGWXNI-UHFFFAOYSA-N 328.367 5.136 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)CC[C@@H]2[C@H]1[C@H]4C2(C)C 206058617 YNDNDGLKKJXJED-IVYXGSQZSA-N 331.459 5.930 0 1 EKAF CCC[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299869195 UFEUZKBTJUJCSB-ZJTJJPTCSA-N 335.491 5.536 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cc1 586880959 QQCACEMFFXQCEA-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Cc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587004686 YQYVLDNUAYEEFZ-UHFFFAOYSA-N 341.208 5.355 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(F)cc2[nH]1 587063024 ZPWGJGMPTZASMB-CQSZACIVSA-N 339.197 5.539 0 1 EKAF Fc1cc(Cl)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073727 KOUVNJHQIQOPRR-UHFFFAOYSA-N 335.209 5.479 0 1 EKAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Cl 587109326 MHPKEMAGTWSOQU-UHFFFAOYSA-N 344.695 5.050 0 1 EKAF FC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCCC1 587132311 QCEVWIDFQFONHE-UHFFFAOYSA-N 326.440 5.843 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)c1F 587152546 PQIDPRJFKOIGFN-VHSXEESVSA-N 339.172 5.419 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587153118 WCTAXKPTRVGSFS-NXEZZACHSA-N 338.279 5.131 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(OC)c4[nH]3)c2)c1 587160063 FAIYCXROYXMIMH-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF C[C@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(cccc3n1)CC2 587210097 DZNVDMINTAHNKX-LBPRGKRZSA-N 343.348 5.492 0 1 EKAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1C(F)(F)F 587210146 HEACUVNBEJBBNC-UHFFFAOYSA-N 329.321 5.028 0 1 EKAF Cc1cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2cc1Cl 587241536 FMCVKGZPDJPAIE-UHFFFAOYSA-N 341.842 5.176 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C(C)(C)C)CC2=O 587486207 XCRHOZDQABXCOP-GHTZIAJQSA-N 330.468 5.285 0 1 EKAF O=C1C[C@@H](c2cc(F)c(Cl)cc2F)Oc2c1ccc1c2CCCC1 587501507 BZYFNCRFTOOPHJ-SFHVURJKSA-N 348.776 5.204 0 1 EKAF CC(C)C1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587520821 AYEYRFIYEOYONP-GRXDXKALSA-N 326.480 5.362 0 1 EKAF CC(C)(C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587521760 GBSDBZCALDWXIB-XMMPIXPASA-N 348.486 5.657 0 1 EKAF Cc1cccc(C[C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527381 UQVCYBRUUUYGHQ-DEOSSOPVSA-N 346.470 5.231 0 1 EKAF Clc1cccc(CC[C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963111657 RIFCUARUSSKRKC-QGZVFWFLSA-N 340.681 5.466 0 1 EKAF Nc1oc2cnccc2c1Nc1ccc(Cl)c(Cl)c1Cl 1857773212 PGQWHRQEBMQMQA-UHFFFAOYSA-N 328.586 5.114 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@]1(C)CCCc2ccoc21 2356682156 NQLMQSZWWCKWNA-NRFANRHFSA-N 326.436 5.395 0 1 EKAF COc1ccc(Cc2c(-c3ccccc3)nc3ccc(C)cn23)c(C)c1 199364460 SUQGJNWBTQZRLB-UHFFFAOYSA-N 342.442 5.218 0 3 EKAF Cc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)cc2)n2ccnc2)cc1 5892463 ZGYHIWUURNRLMH-OAQYLSRUSA-N 347.849 5.478 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@@H]1N2C 38155370 AOGDHAKOMBZIIJ-CUDBPUKSSA-N 339.523 5.280 0 1 EKAF COc1cc(/C=C\c2cc(O)c3ccsc3c2)cc2sccc12 40380132 UEIXPKTWNPOXRT-IHWYPQMZSA-N 338.453 6.001 0 1 EKAF O=C(CC[C@@H]1CCc2ccccc2[C@H]1c1ccccc1)N1CCCCC1 64516504 IGWDATJSMRPGKW-URXFXBBRSA-N 347.502 5.174 0 1 EKAF c1ccc(-c2cc([C@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccccc3)S4)on2)cc1 66260101 GGNBFDVFZAGDEV-UBBRYJJRSA-N 347.483 5.877 0 1 EKAF Fc1ccc(-c2nc3sc4ccccc4n3c2Br)cc1 75283067 QXXDXXANDNOPOC-UHFFFAOYSA-N 347.212 5.118 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C1=CC=C2c1cccnc1 78499280 PRLZUXJNNKNXSR-IZVJSRMBSA-N 347.502 5.319 0 1 EKAF Cn1cc(Cl)c(Cl)c1-c1nc(Cl)c(-c2ccc(O)cc2)o1 238784924 XUBJJTYFZHCVOA-UHFFFAOYSA-N 343.597 5.013 0 1 EKAF Cc1ccc2c(ccc3nc(-c4ncsc4-c4ccccc4)[nH]c32)n1 587028016 MLSHZAJXKNFVGR-UHFFFAOYSA-N 342.427 5.210 0 1 EKAF C[C@H]1CCCCCCCCCCCc2c(nc3cccc4c3c2CC4)C1 587215948 XHRBEBLZBZCIOR-IBGZPJMESA-N 349.562 6.969 0 1 EKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2cccc(F)c12)C(F)F 587634088 RRAMVCGAVWYTHX-UHFFFAOYSA-N 339.316 5.575 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3cc(Cl)ccc3O)c2c1 587639663 BGPCKUMZYATNBS-NSHDSACASA-N 341.838 5.580 0 1 EKAF Cc1ccc2c(ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c32)n1 587968986 XQPSJVPYZLQGOK-UHFFFAOYSA-N 329.447 5.259 0 1 EKAF CC(=O)O[C@H]1CCC(C)=CCCC(C)=CC=C(C(C)C)CC[C@@H]1C 2356593509 MMNOSRQYAMPCGC-UGKGYDQZSA-N 332.528 6.383 0 1 EKAF CCCc1cc(Cl)c2c(c1O)[C@H](C)[C@H](Cc1ccc(OC)cc1)O2 13453160 VSLLNGYXZIKKLY-PXAZEXFGSA-N 346.854 5.114 0 1 EKAF S=C1Nc2ccc(-c3ccc(Cl)s3)cc2C12CCCCC2 13488914 LOGUDFPBAHTLDM-UHFFFAOYSA-N 333.909 6.023 0 1 EKAF C[C@H]1C[C@@H]2c3cccc4[nH]c(Sc5ccccc5)c(c34)C[C@H]2N(C)C1 13826378 FVVUBLWTATZKEN-JNAXZKDPSA-N 348.515 5.299 0 1 EKAF Cc1c(CSc2cc3ccccc3[nH]2)cccc1OCC(C)C 27429962 TVZQWIVSQDWCRY-UHFFFAOYSA-N 325.477 5.803 0 1 EKAF C[C@H](Nc1cc(NCCc2ccc(F)cc2)ccn1)c1ccccc1 28367695 WEZQLQJGSMUROR-INIZCTEOSA-N 335.426 5.048 0 1 EKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)(C)C)no2)N3C)cc1 36271707 OEUNHOYSAHYKJP-OEMYIYORSA-N 338.495 5.014 0 1 EKAF CCCCC1=C(Cl)c2ccc(Cl)cc2[P@@](=O)(OCC)O1 49071332 ZVVMTSCKKVHIME-HXUWFJFHSA-N 335.167 5.323 0 1 EKAF CCCCOc1nc(-c2ccc(OCCC)cc2)nc2ccccc12 95771655 YECXEWCQHWSAKH-UHFFFAOYSA-N 336.435 5.265 0 1 EKAF CC1(C)C(/C=C/c2ccc(Br)cc2)=Nc2ccccc21 96934726 QYLVXMCFKLHSLM-FMIVXFBMSA-N 326.237 5.526 0 1 EKAF CCCCC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1-c1ccccc1 221356296 BAIIMAMKMXZKSE-UHFFFAOYSA-N 335.403 5.214 0 1 EKAF Cc1cc2oc(=O)cc(Nc3ccc4ccccc4c3)c2cc1Cl 473091015 BKTBANZSBIQBSN-UHFFFAOYSA-N 335.790 5.652 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(C)c2[nH]1 587014252 KCPTWDQUSLDFAM-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF Cc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063335 KPOOPCFABXQKKK-UHFFFAOYSA-N 348.833 5.771 0 1 EKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccncc1 587628581 VQFMFFNTYLCLBE-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF CCCCC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815099 YIRULLVDMLPHHV-SJCJKPOMSA-N 342.296 5.308 0 1 EKAF FC(F)(F)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587964625 DXYBMHLSXLZWFK-UHFFFAOYSA-N 348.368 5.301 0 1 EKAF COc1ccccc1CCn1cnc(-c2ccc(F)cc2)c1C(C)C 198628067 VVPJJHODJVDZKF-UHFFFAOYSA-N 338.426 5.064 0 3 EKAF C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1 28362574 PLJQHQXPKZVEIZ-INIZCTEOSA-N 335.426 5.048 0 1 EKAF C[C@H](CN1[C@@H](C)CCC[C@@H]1C)c1cccc(C(=O)c2ccccc2)c1 29410126 MSOLWIXKJYSHSW-QYZOEREBSA-N 335.491 5.284 0 1 EKAF Fc1ccccc1Oc1ccc2c(-c3ccccc3Cl)[nH]nc2c1 36423067 QDPZIIDGFJHLRY-UHFFFAOYSA-N 338.769 5.815 0 1 EKAF in-vitro c1ccc(-c2ccc3c(Nc4ccc5[nH]ccc5c4)ccnc3c2)nc1 45229546 OMQQFIDNQZETMO-UHFFFAOYSA-N 336.398 5.522 0 1 EKAF CC(=O)C[C@@H](C)COc1ccc(Oc2ccc(OC(C)C)cc2)cc1 96167519 HHSZXWGVADPNSH-MRXNPFEDSA-N 342.435 5.260 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@H]2CC[C@H]1N2C 100883016 RBRMVWHMOIEQRO-JBAXAFQVSA-N 349.518 5.509 0 1 EKAF CC(=O)O[C@H]1C[C@@]2(C)CCC3=C(C(C)C)CC[C@@]3(C)[C@@H]2C[C@@H]1C(C)=O 238773780 MMXWAARCULBEKT-SGCGGLILSA-N 346.511 5.086 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc3c(c2[nH]1)CCCC3 586970848 KHDHLLVUDRKUIU-UHFFFAOYSA-N 349.316 5.632 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sccc1C3 587207499 FSXBAUCQXAWKHL-UHFFFAOYSA-N 325.392 5.079 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 587207623 UBDYEEAEMDIENG-UHFFFAOYSA-N 325.367 5.323 0 1 EKAF C[C@H](CCc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527454 WHQBFMPDTUZHTH-ZHRRBRCNSA-N 334.459 5.168 0 1 EKAF CCCCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531812 MJSKQNWZCCCLSS-IBGZPJMESA-N 340.488 5.676 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3F)c(OC)c2c1 587643138 RUEHENUWGQMOFQ-NSHDSACASA-N 331.818 6.150 0 1 EKAF CC(=CCC[C@@]1(C)C=Cc2c(O)cc(C)cc2O1)CC(=O)CC(C)C 2356559051 VUVNQZRURYVICD-QFIPXVFZSA-N 342.479 5.597 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CC1 2356802309 SBZJHVNXTCIAGI-RTWAWAEBSA-N 348.527 5.498 0 1 EKAF Clc1ccc(CSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 120156 AXKYYQUBKYVFQH-UHFFFAOYSA-N 335.259 5.676 0 1 EKAF CC1(C)CCC(C)(C)c2cc(COc3ccc(C(=O)O)cc3)ccc21 26387074 SWHFOHPSBVLMKP-UHFFFAOYSA-N 338.447 5.313 0 1 EKAF CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 28570250 DUEQQGIBXOVGGK-OAHLLOKOSA-N 346.883 5.125 0 1 EKAF Cc1ccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 38248644 IHMPWAMSSNUCOI-INIZCTEOSA-N 344.842 5.072 0 1 EKAF C[C@@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1 40896241 DFRDBQPIIDBXKX-CYBMUJFWSA-N 341.863 5.968 0 1 EKAF CC(C)C[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 95552566 DLHMPCIOGCSHER-IBGZPJMESA-N 336.479 5.055 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(C/C=C(\C)CC/C=C\1C)CC[C@@]2(O)C(C)C 238780866 LCCFAMBWEWEJKL-UJLQBZPBSA-N 348.527 5.188 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)cncc4[nH]3)cc2)CC1 586879111 DYMWLZYKKLASEH-IYARVYRRSA-N 347.506 6.397 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)cc1 586879598 HNBFAUSNESGJCL-UHFFFAOYSA-N 344.389 5.547 0 1 EKAF CC/C=C/CCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206518 FBCVEHDHMAMAQC-ONEGZZNKSA-N 341.454 6.125 0 1 EKAF Cc1ccc(NC2(c3nc4cc(Cl)cc(F)c4[nH]3)CCCC2)cc1 587236684 DTFAREMTAMHFND-UHFFFAOYSA-N 343.833 5.545 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1Cl)CC2=O 587465271 BWKQWGJLGJIOEQ-LJQANCHMSA-N 348.801 5.018 0 1 EKAF O=C1C[C@H](C[C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587524223 LJFNHUGKNDGENO-MOPGFXCFSA-N 346.470 5.409 0 1 EKAF Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3cc(F)ccc23)cc1 587634686 PCLVWUPSIKZSDU-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF Cc1ccc2oc(=O)c(-c3ccc(OCc4ccccc4)cc3)cc2c1 653757243 YYMVDIQKIDNJHQ-UHFFFAOYSA-N 342.394 5.347 0 1 EKAF CCC[C@@]1(c2ccc(F)cc2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942707 BVUNERKCNSEEJU-JTSKRJEESA-N 336.454 5.275 0 1 EKAF C[C@H](C(=O)c1ccc(NCc2ccccc2)cc1)c1ccccc1F 1857646572 LXNVPVUPIABPBB-INIZCTEOSA-N 333.406 5.424 0 1 EKAF CCCCCCC(=O)CCCCCCC=CC=CC(=O)NCC(C)C 2356523913 JRGUHFYJVNNNIQ-UHFFFAOYSA-N 349.559 5.751 0 1 EKAF Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]34CO[C@@H]2[C@H]14 3651573 UGGAILYEBCSZIV-YICCBXQDSA-N 342.479 5.146 0 1 EKAF in-man CN(C)c1ccc(C=CC(=NNc2ccccc2)c2ccccc2)cc1 4235320 PGXVQLMSRMMTSF-UHFFFAOYSA-N 341.458 5.282 0 1 EKAF biogenic C[C@@H]1[C@@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C 14557255 AQJLJGBKBDODCH-FCEUIQTBSA-N 331.544 5.194 0 1 EKAF biogenic C[C@@H]1[C@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C 14557261 AQJLJGBKBDODCH-CEMLEFRQSA-N 331.544 5.194 0 1 EKAF biogenic CCCCc1ccc(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1 28765615 OVXMDIKAIMZBBC-UHFFFAOYSA-N 332.827 5.410 0 1 EKAF Cc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1 43078636 UDTDXYWIQKFJME-UHFFFAOYSA-N 331.891 5.125 0 1 EKAF Oc1ccc(Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1 49785141 DOHCEQPDQNDPBX-UHFFFAOYSA-N 336.338 5.278 0 1 EKAF CCCCC[C@@](C)(O)CCC[C@@H](CCCCCCC(=O)O)C(C)=O 59903433 BMOURHSOVAKOBH-UYAOXDASSA-N 342.520 5.118 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1ccccc1Cl)C2 100834379 TWLKFPACEDMNGQ-BMQTXXJKSA-N 341.882 5.071 0 1 EKAF CN(CCc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 169357726 LQWDBDLQDUIHEI-MSOLQXFVSA-N 330.475 5.222 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C\CC[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238785882 QPIUBKNTZMBLLI-JPEYNTNBSA-N 348.527 5.044 0 1 EKAF C[C@H](CO)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O 263614189 CBZPGRKSSXCZLI-MANSERQUSA-N 328.537 5.509 0 1 EKAF in-vitro Clc1cc(Cl)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587088039 SKJVTVZINFISLY-UHFFFAOYSA-N 336.609 5.671 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccc(C4CC4)c3)nc3cccc1c23 587206627 NVRVJGZRILTJRU-UHFFFAOYSA-N 347.417 5.991 0 1 EKAF O=C1C[C@@](CC2CCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587523250 KKJOSZUDCMHRBG-DEOSSOPVSA-N 346.470 5.616 0 1 EKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633889 NAHZRJJLZMGXME-UHFFFAOYSA-N 325.330 5.715 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(Cl)cc2[nH]1 587950727 CGPCVGQQDHCSJJ-WQGACYEGSA-N 336.863 5.271 0 1 EKAF C[C@@]1([C@@H]2CC3CCC2CC3)NCCc2cc(-c3ccccc3)ccc21 962671256 TXXDQTMOVFJNMY-UAFSKXSESA-N 331.503 5.541 0 1 EKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2c1ccc1ccccc21 1772636927 LBYPDBXDPYAINT-QHCPKHFHSA-N 349.449 5.095 0 1 EKAF Fc1cccc(F)c1-c1cnc(Cl)n1-c1ccccc1Cl 1772657302 HLJRXDWTKHRPIY-UHFFFAOYSA-N 325.145 5.124 0 1 EKAF C[C@H](CCC(=O)O)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356380111 RMOANDLRKRTOAX-ZHPHXZAZSA-N 338.532 5.261 0 1 EKAF CCC=C(C)[C@@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C 2356581613 COQVDOXGJFWFLT-GCJKJVERSA-N 342.479 5.402 0 1 EKAF Cc1ccccc1NC(=O)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019238 AJEVQKYJQBYWFD-SWCONJRYSA-N 349.474 6.050 0 3 EKAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2c1ccno1 26397830 ODOKPGQFNOPGEE-KYRJBTROSA-N 337.463 5.200 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@@H]2CC[C@H]1N2C 26575640 AOGDHAKOMBZIIJ-ZZLPTCMGSA-N 339.523 5.280 0 1 EKAF Oc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1 40407408 OXXMHBHCRXLDSD-UHFFFAOYSA-N 329.443 5.004 0 1 EKAF Cc1cccc(-c2ccc(-c3ccc(OCC(=O)O)cc3C)cc2C)c1 62241635 GRRFPGPIQJRCSX-UHFFFAOYSA-N 346.426 5.409 0 1 EKAF C[C@@H]1C[C@@H](Nc2cc(-c3ccc(F)cc3F)ncn2)CC(C)(C)C1 82162309 BKXGVUMMWRWPTA-TZMCWYRMSA-N 331.410 5.049 0 1 EKAF Cc1ccc(C(=O)[C@@H]2C=C(c3ccc(C)cc3)S[C@@H]3C=CC[C@H]32)cc1 105520422 UZPMSCYFVVIUEA-PWRODBHTSA-N 346.495 5.835 0 1 EKAF CCN1/C(=C/c2cc3c4c(cccc4n2)CC3)Sc2ccccc21 587360817 QACYFAWLDCHCMU-MOSHPQCFSA-N 330.456 5.264 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3ccccc13)CC2=O 587485949 WHCWYRUHMWQRKV-OAQYLSRUSA-N 332.399 5.204 0 1 EKAF O=C1C[C@]2(CCC[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587528180 YUPLYFABKCYAQI-REWPJTCUSA-N 332.443 5.237 0 1 EKAF Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2ccc(F)c(Cl)c12 587629753 GJKOSAUCQDTAHZ-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3Cl)c(C)c2c1 587642643 UEQKINZIAGNTBR-LBPRGKRZSA-N 346.301 6.887 0 1 EKAF COc1ccc2c(c1)[C@@](C)(c1c(C)[nH]c3ccccc13)N(C(C)C)CC2 962095832 WVIKZOUBRHXTOT-QHCPKHFHSA-N 348.490 5.015 0 1 EKAF CCCCCC1(C(C)=O)CCC2(CC1)NCCc1c2sc(C)c1C 963014555 IVFUGHPAEAHHCW-UHFFFAOYSA-N 347.568 5.436 0 1 EKAF CCCc1ccc([C@@]2(CC)c3ccccc3C[C@@H](C)N2CCC)cc1 963235042 FKCJALYMXUBPDE-DVECYGJZSA-N 335.535 5.949 0 1 EKAF c1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1 199201452 YDPSHUZIOCEIHN-UHFFFAOYSA-N 340.470 6.277 0 3 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@H]2CCc3cc(C(C)C)ccc3[C@@]2(C)C1 13302857 WIPBCBTWUKPWAM-SYYKKAFVSA-N 328.496 5.382 0 1 EKAF biogenic COc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1 13488908 MLPXJNYJKQYTRC-UHFFFAOYSA-N 341.451 5.456 0 1 EKAF c1cc(CN2CCCCC2)ccc1COc1ccc2c(c1)CCCC2 13517681 IWRBEDBLWWOQQO-UHFFFAOYSA-N 335.491 5.130 0 1 EKAF NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1 84708958 ABXVUGZVUCYNCO-UHFFFAOYSA-N 339.442 5.006 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCO 113638605 PFSJPCJFPSIUOO-QHCPKHFHSA-N 340.636 8.047 0 1 EKAF in-vitro CC/C1=C\C=C\[C@@H](CO)[C@]2(C)CCCC[C@]34CC(C)(C)C[C@@]3(C)C1=C24 169296442 FZODMLXLGWSYPA-NHGULKKISA-N 340.551 6.204 0 1 EKAF CC(C)C[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990989 POBTZRRXWVJDSM-CYBMUJFWSA-N 343.426 5.228 0 1 EKAF Clc1ccc(-n2cccc2)cc1-c1nc2cccc(Cl)c2[nH]1 587051556 YHFVEZWNCSJNOH-UHFFFAOYSA-N 328.202 5.327 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(C)nccc2[nH]1 587074671 ZRSSDYSJPRQEDP-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Cc1c(-c2nc3ccc(Cl)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076672 YGJRIMOWHKGHNY-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152386 MHOLXUDNDHKBTI-UONOGXRCSA-N 326.390 5.410 0 1 EKAF O=C1c2ccccc2-c2cc(C=C3CCCCC3)nc3cccc1c23 587205781 FFMUNBOPDDHKAG-UHFFFAOYSA-N 325.411 5.794 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(-n3ccnc3)c2c1 587643968 ZIRYUMYRICBBOJ-AWEZNQCLSA-N 333.410 5.673 0 1 EKAF CCOc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)ccc1C 587778000 GRMVZSISJYIDDY-UHFFFAOYSA-N 345.240 5.008 0 1 EKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 587922307 OBXSGVLTWCIXQY-QGZVFWFLSA-N 341.407 5.257 0 1 EKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCCCC(=O)OCC 2356686176 VPHFTRIAHMFYGR-OAQYLSRUSA-N 346.511 5.442 0 1 EKAF CC/C(=C/c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12 12474695 XASRPVBJOWQANP-ICFOKQHNSA-N 327.427 6.280 0 3 EKAF CCC/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13490431 ZODFDPOWQOXZOI-SCDVKCJHSA-N 349.449 6.634 0 1 EKAF C[C@@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1 13672522 BFUWIUJNCVHEMS-SECBINFHSA-N 328.717 5.214 0 1 EKAF O=C(O)CCCCCCc1ccc(Cc2ccccc2Cl)cc1 26939259 AGLPOTLGOOLBGL-UHFFFAOYSA-N 330.855 5.508 0 1 EKAF CCCCc1ccc2nc(NC(=O)c3sccc3C)sc2c1 72136013 RTNBVCDVVVYNGZ-UHFFFAOYSA-N 330.478 5.261 0 1 EKAF CC(C)(C)c1cc(-c2ccc(C(=O)O)s2)cc(C(C)(C)C)[s+]1 84732884 ZQYMIHGHMINAJA-UHFFFAOYSA-O 335.514 6.051 0 1 EKAF Cc1csc(-c2nc(C(C)C)[nH]c2-c2ccc3ncsc3c2)n1 95559928 DQPNJZAMZCNNEZ-UHFFFAOYSA-N 340.477 5.242 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586884319 UDTMRZHTUIVTDW-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CC(C)(C)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894704 RJBYPCINKKPIAF-UHFFFAOYSA-N 344.543 5.906 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)o1 586902885 HSQJLXOYCLRHIV-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4CC[C@H]3C4)nc3ccc(O)c1c23 586990351 BSEWBWGEUWISEI-HEHGZKQESA-N 341.410 5.055 0 1 EKAF CCn1c2ccccc2c2cc(-c3cc4c5c(cccc5n3)CC4)ccc21 587211539 SRVFBQKMBLRFJI-UHFFFAOYSA-N 348.449 6.128 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccccc1C)O2 587404231 CSDXXOALAVVSGS-JOCHJYFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C3CCCC3)C1)CC2=O 587476738 AQSVDHKAPJGMOM-VFNWGFHPSA-N 328.452 5.039 0 1 EKAF C[C@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503529 HJZALRAUDJAVSK-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF COc1cc(C)ccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587924737 DDKDQIJLGQHJNT-UHFFFAOYSA-N 344.414 5.126 0 1 EKAF C[C@@]1([C@H]2CC3CCC2CC3)NCCc2cc(-c3ccccc3)ccc21 962671259 TXXDQTMOVFJNMY-VUBUVVLWSA-N 331.503 5.541 0 1 EKAF Cc1cc(C)c(NC(=O)c2nc3cc(Cl)ccc3s2)c(C)c1 1857629469 WRZWNWWQSZUPEV-UHFFFAOYSA-N 330.840 5.127 0 1 EKAF CC=C(C)[C@@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C 2356787680 BPCJATNZUJNOJC-UTKZUKDTSA-N 328.452 5.012 0 1 EKAF Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@@]34CO[C@@H]2[C@H]14 715 UGGAILYEBCSZIV-RNDWMSIDSA-N 342.479 5.146 0 1 EKAF COc1ccc(CNc2ccccc2F)cc1OCc1ccccc1 280066 RTQNROJVAHGCCM-UHFFFAOYSA-N 337.394 5.025 0 1 EKAF C/C=C(\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743077 ADPKGIMONMWKST-KPSZGOFPSA-N 348.486 6.185 0 1 EKAF Oc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1 14945868 ALIOQXGVNHUSRG-UHFFFAOYSA-N 340.176 5.116 0 1 EKAF c1ccc(CN2CCC3=C(C2)[C@@H](c2ccccc2)c2ccccc23)cc1 28263098 WNNUGNUPCHFHOT-VWLOTQADSA-N 337.466 5.492 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@H]1CC[C@@H](O)O1 28341445 IMGRHWYIBGFQEG-JBOFFGIQSA-N 342.523 6.182 0 1 EKAF CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 28769507 PBJIUWJHFIQGEE-UHFFFAOYSA-N 329.230 5.138 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@@](C)(O)c1ccc(C(C)(C)C)cc1 49111784 QJUKQGRCPPAPND-FDFSIDOASA-N 326.524 6.130 0 1 EKAF Cn1cc([C@H](Nc2ccccn2)c2ccccc2Cl)c2ccccc21 95564352 XVPNRAROZBMGHP-OAQYLSRUSA-N 347.849 5.428 0 1 EKAF Cc1cc(O[C@@H](Cc2ccccc2)C(=O)O)cc(C)c1-c1ccccc1 95596114 FDKXDQKPXBSEPK-NRFANRHFSA-N 346.426 5.045 0 1 EKAF CC(C)Sc1nnc(CSc2ccccc2)n1-c1ccccc1 95596538 NSVFALADEZSAPI-UHFFFAOYSA-N 341.505 5.060 0 1 EKAF Cc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(C)c1 144919985 ZIVDODHMHYLNJB-UHFFFAOYSA-N 325.415 5.657 0 1 EKAF CC(C)=CCC/C(C)=C\CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O 209600139 PXLVYLVZICPHKW-SLPYIPCOSA-N 342.435 5.095 0 1 EKAF COc1ccc(-c2cnc3c(-c4ccccc4)snc3c2)cc1OC 223117136 ZWFWTFGQYJINLL-UHFFFAOYSA-N 348.427 5.043 0 1 EKAF OCCCCCCCCCCCc1nc2cc(F)c(F)c(F)c2[nH]1 586894903 XZCQNXOUTGJMDO-UHFFFAOYSA-N 342.405 5.026 0 1 EKAF Cc1cc(Cl)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587054752 QRNLPUCNYGPNQF-WAYWQWQTSA-N 337.637 6.002 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(C)C)C4)-c1ccccc1C2=O 587102124 YNMBSGUQOSEHHR-CQSZACIVSA-N 327.427 5.125 0 1 EKAF CCc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125436 QJQHTNYVKJSIPW-POHAHGRESA-N 348.393 5.908 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3cc(Cl)ccc3[nH]2)cc1 587164768 WNJLWUSKMWSCIS-UHFFFAOYSA-N 328.799 5.751 0 1 EKAF FC(F)Oc1c(-c2cc3c4c(cccc4n2)CC3)ccc2ccccc12 587210134 GHSKNTQKLHYRPI-UHFFFAOYSA-N 347.364 5.755 0 1 EKAF FC(F)(F)c1ccc([C@@H]2Cc3nc4cccc5c4c(c3C2)CC5)cc1 587210648 UIPPLRQOZVOYJY-AWEZNQCLSA-N 339.360 5.235 0 1 EKAF CCCCC(Cl)(Cl)[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587459212 NFHDMZLRTZHJEA-HNNXBMFYSA-N 345.266 5.043 0 1 EKAF CC(C)C[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526850 UEHSARUTBHWVSJ-KSFYIVLOSA-N 326.480 5.506 0 1 EKAF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2cc(Cl)c(F)cc12 587629023 YEQSBRNPVTVNAD-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF COc1ccc2c(c1)C1(CC(C)(C)CC(C)(C)C1)N(C(C)C)CC2 962094727 RNVMDBOMDHMIJL-UHFFFAOYSA-N 329.528 5.393 0 1 EKAF COc1c(C)c(OCC=C(C)CCC=C(C)C)cc2c1C(=O)O[C@@H]2C 2356466305 AGNAQFYRVWHPDW-MRXNPFEDSA-N 344.451 5.307 0 1 EKAF CC/C=C/c1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 6001755 ANAMDWGJXBYJEB-FEJMMZFWSA-N 326.480 5.032 0 1 EKAF C[C@H](O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 6437118 MSICOSWQOQACHW-FQEVSTJZSA-N 346.470 5.156 0 1 EKAF COc1cc(Nc2cccc(-c3ccccc3)c2)ccc1-c1cnco1 13860208 ZQQLNCSCNNENMR-UHFFFAOYSA-N 342.398 5.761 0 1 EKAF COc1cc(C)c(CC/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C 150264241 IKAMOVSEUHPORG-YOLSYARASA-N 328.452 5.086 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cc1 586879033 CQXWWPCCIIBYSG-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1C 587033652 YRGRTYLNLPNEIP-UHFFFAOYSA-N 333.460 5.188 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)c1 587233868 BFRRNOOTNHBHLN-UHFFFAOYSA-N 347.849 5.900 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C1CCC(C(C)C)CC1)CC2=O 587483261 PZHFGSNTIZREBS-NODKNVJMSA-N 330.468 5.141 0 1 EKAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 587532602 QZFMRQRUFCAPOQ-HXUWFJFHSA-N 326.461 5.124 0 1 EKAF O=C(O)c1cccc2c(-c3ccccc3Cl)c(C(F)(F)F)[nH]c12 587638256 VAVBBHMTSIIYEK-UHFFFAOYSA-N 339.700 5.205 0 1 EKAF CCC[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814983 XIBJHAVOFIJJJH-SJKOYZFVSA-N 342.296 5.164 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587952079 LRRVZNJKDXEGNO-SUHUHFCYSA-N 341.377 5.023 0 1 EKAF FC(F)(F)c1cc(Cl)c2[nH]c(CC3CCCCCC3)nc2c1 587961809 XOHBMBJAOAQOAH-UHFFFAOYSA-N 330.781 5.748 0 1 EKAF C[C@@H]1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[C@@H](C)[C@H]12 1772615589 MWEAKHOVJKHXJC-JDNRESRGSA-N 335.447 5.718 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C 1543682 BCJREEKSOYQYQL-UHFFFAOYSA-N 347.886 6.328 0 1 EKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 13437754 JJSFGIZTXNWLSJ-UHFFFAOYSA-N 339.523 6.220 0 1 EKAF O=C(O)c1ccc(-c2ccc3c(ccn3Cc3ccccc3)c2)cc1 29347077 YKJBJUHDZIFYMT-UHFFFAOYSA-N 327.383 5.055 0 1 EKAF CC(=O)O[C@@]1(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O)[C@@H]2C(C)=CC[C@H]21 145417906 MHOLMIQCQJUWJL-GWACVJJOSA-N 348.527 5.044 0 1 EKAF C[C@@H](c1ccc(-c2cccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C 165075468 ZVMQNPSOQBOZOE-ZDUSSCGKSA-N 348.471 5.032 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930498 LNZVFVDXQMOFRR-RXDRQJMTSA-N 332.528 5.900 0 1 EKAF CCc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1CC 586879721 PZURQEHGXLXYOA-UHFFFAOYSA-N 342.442 6.147 0 1 EKAF Cc1ccc2c3c(cc(C[C@@H](C)CC(C)C)nc13)-c1ccccc1C2=O 587099911 XLWGEVWHUGMDBT-HNNXBMFYSA-N 343.470 5.979 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(F)cc1)O2 587383512 CQVUMPAXQVEZCB-OAQYLSRUSA-N 347.389 5.090 0 1 EKAF CCCC[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516606 YOLRYDIFTCNRKL-JOCHJYFZSA-N 335.447 5.011 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C)c(C)c4[nH]3)c2)c1 587933356 MPISBNINWUFIAX-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2sccc2Cl)N1 962940782 ARUKKSLLVPWSQO-BBATYDOGSA-N 330.884 5.071 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccco3)cc2)N1 962964905 ZBHCKGOUCLJSBG-VGSWGCGISA-N 342.442 5.442 0 1 EKAF C[C@@H]1CCCc2ccccc2[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963096421 DQJBFOUXKROUFS-AYPBNUJASA-N 335.466 5.062 0 1 EKAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2[C@@H](C)CC[C@@H](C)CC(C)(C)C 963728593 GZHFITXBHAXELA-GQIGUUNPSA-N 325.540 6.390 0 1 EKAF COc1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c1 1772587120 PYUMDLZPWYDDCQ-JJCGOBCMSA-N 328.496 5.742 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cc2ccccc2[nH]1 1772630728 NSEILYNEMPZVBW-SNAWJCMRSA-N 344.380 5.332 0 1 EKAF Cc1cc(C)n2c(NC3CCCC3)c(-c3cc4ccccc4o3)nc2n1 95599689 KOTKEOPVHGKCMR-UHFFFAOYSA-N 346.434 5.114 0 3 EKAF Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1 4266255 JCXYQXGBSULZJL-UHFFFAOYSA-N 331.444 5.279 0 1 EKAF O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCCC1 6808505 CNTSERDHVMCRDE-UHFFFAOYSA-N 349.908 5.300 0 1 EKAF c1ccc(CN2CCC(COc3ccc4ccccc4c3)CC2)cc1 13730200 BQNYHHARNBWQMF-UHFFFAOYSA-N 331.459 5.131 0 1 EKAF Clc1ccc(CNc2nccc3c2[nH]c2ccccc23)cc1Cl 72175485 ZDLNTIUTDBBRNH-UHFFFAOYSA-N 342.229 5.635 0 1 EKAF CC(C)N(CC[C@@H](O)c1cccc2ccccc12)Cc1ccccc1 145170736 AUOOAKWTOWHRAM-HSZRJFAPSA-N 333.475 5.174 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@@H]2[C@@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 253667862 SOAIWELMVRCOAD-BCLZFNBHSA-N 346.511 5.252 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)cc(-c3cccc(O)c3)n2)c1 473135667 RISLKSIWGWOMOY-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF C=Cc1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 586880289 FGRPBEYUXZURHL-UHFFFAOYSA-N 327.225 5.252 0 1 EKAF Clc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048329 HEKDWDHLQGNCIF-JGVFFNPUSA-N 338.625 5.189 0 1 EKAF Cc1cnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063739 UMHRYJYISUVJMP-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF COCc1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 587097825 SWJOOEADZSODDP-UHFFFAOYSA-N 331.415 5.024 0 1 EKAF Cc1cc(F)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113965 PMKUWEXSBPIYAY-LLVKDONJSA-N 336.332 5.375 0 1 EKAF Cc1sc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587217813 ZSVMVQJHYUDGBW-UHFFFAOYSA-N 330.250 5.133 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)c1 587235904 RYWMGNHVQWOCOT-UHFFFAOYSA-N 348.837 5.295 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(C)s1)CC2=O 587492132 AVXXJQPOXDFJBJ-HXUWFJFHSA-N 344.476 5.375 0 1 EKAF CC[C@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521159 DCGNJBKXEAVDHS-HSZRJFAPSA-N 334.459 5.453 0 1 EKAF CC(C)(C)c1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525312 RRVCXCGMPNYEDV-XMMPIXPASA-N 348.486 5.744 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Cn2ccnc2)cc1 587632524 YIOXYGOEKNIMKJ-UHFFFAOYSA-N 339.801 5.181 0 1 EKAF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587641062 DSUZIKWRNGPSJK-CYBMUJFWSA-N 330.472 5.269 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(C)cc(Br)c2[nH]1 587969416 SDFHPSFQQPJGKA-BENRWUELSA-N 333.273 5.784 0 1 EKAF Cc1ccccc1-c1oc2cc(O)ccc2c1-c1ccc(O)cc1O 1772610603 ZMXQRUHDDFYLQO-UHFFFAOYSA-N 332.355 5.192 0 1 EKAF O=C(O)[C@H](CC=CCCCCCCCC[C@@H]1C=CCC1)CCCO 2356776584 YEAXILKLGNDILA-WOJBJXKFSA-N 336.516 5.493 0 1 EKAF CCCC[C@H](C)C[C@@]1(CC)C=C(CC)[C@@]2(C=C(CC(C)C)C(=O)O2)O1 2356804993 ZNEOQZOOEAMULR-BULFRSBZSA-N 348.527 5.944 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC1CCCCC1 15924572 YDWKTSRXWVPDTL-FQEVSTJZSA-N 327.516 5.155 0 3 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCCN1CCCCC1(C)C 13678041 HEOZYMCFSRFTKA-SFHVURJKSA-N 329.528 5.550 0 1 EKAF CC1=C(/C=C/c2cc(NCc3ccccc3)nc(N)n2)C(C)(C)CCC1 28712578 WHGCAVUVULXKEX-VAWYXSNFSA-N 348.494 5.211 0 1 EKAF CCC[C@H](C)COC(=O)c1cc(C)cc(C(=O)OC[C@H](C)CCC)c1 40874914 XLMZWFMWCSPEPP-IYBDPMFKSA-N 348.483 5.181 0 1 EKAF CC1(C)C[C@](CCNc2ccccc2F)(c2ccccc2)CCO1 72109120 NHBCEQGGHZLLPP-OAQYLSRUSA-N 327.443 5.155 0 1 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCN1C(C)(C)CCCC1(C)C 95598663 FQLWOMGQSIFWDB-GOSISDBHSA-N 343.555 5.938 0 1 EKAF CCC[C@@H](C(=O)O)c1cnc2sc(C)cc2c1-c1ccc(C)cc1 103300975 NLQXMRBZYMCREK-OAHLLOKOSA-N 339.460 5.548 0 1 EKAF COc1cc2nc(C)c(-c3cc4ccccc4o3)c(O)c2cc1Cl 299829434 UVZJFUZZODEOBV-UHFFFAOYSA-N 339.778 5.324 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586881496 MVLICELNKIWYGL-UHFFFAOYSA-N 336.435 5.079 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)o1 586902931 IDSUNFWWTWRGCK-UHFFFAOYSA-N 343.308 5.212 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 587023033 CMIHPAZINXBTJX-UHFFFAOYSA-N 340.477 5.107 0 1 EKAF CC[C@@H]1C[C@@H](C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101290 RVKWVLQJFBGCMD-UKRRQHHQSA-N 341.454 5.831 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(OC)c(C)cc4[nH]3)c2)c1 587233295 MESAZPSLQAUQRN-UHFFFAOYSA-N 343.430 5.256 0 1 EKAF COc1cccc(-c2c(CC3CC3)c(C)nc3c2oc2ccccc23)c1 587366688 YGGOXLGLBYVUTR-UHFFFAOYSA-N 343.426 5.918 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccccc3)c1)O2 587407312 ZZGSXOIUGMWYNG-HSZRJFAPSA-N 343.426 5.125 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccn3)c2c1 587643053 YMGGXLFDOSMKME-NSHDSACASA-N 346.352 5.326 0 1 EKAF CCc1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587960310 ZANADDUFJYIGDH-UHFFFAOYSA-N 326.443 5.692 0 1 EKAF Fc1ccccc1NCc1ccc(CNc2ccccc2F)s1 1857582219 MQZYZWSULRTHKC-UHFFFAOYSA-N 330.403 5.251 0 1 EKAF CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347897 QSHQKIURKJITMZ-OMNXGBBMSA-N 330.600 7.472 0 1 EKAF CC1=C2CC[C@H]3[C@H]4[C@@H](C(C)C)CC[C@@]4(C)CC[C@]3(C)[C@@]2(C)CCC1 2356468637 KPVIZULLSJKVNJ-KKYFSDIBSA-N 328.584 7.392 0 1 EKAF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@]2(CC)OC(=O)C[C@@H]2O1 2356597802 UXORUSKBVACZHJ-MMKMLUHNSA-N 334.500 5.349 0 1 EKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1C(CO)=CCCC1(C)C)C=C2 14708641 NPUGLJKNYBKFHS-AVRDEDQJSA-N 342.479 5.000 0 1 EKAF biogenic O=C(c1ccc(Nc2ccc(F)cc2F)cc1)c1ccccc1Cl 27181534 YBIALBXEHDTAME-UHFFFAOYSA-N 343.760 5.593 0 1 EKAF CC(C)c1ccc([C@H](F)[C@](C)(Cc2ccc(Cl)cc2)C(=O)O)cc1 27547436 ZMVSDMQINKQYLH-ICSRJNTNSA-N 348.845 5.808 0 1 EKAF Cc1cc(Nc2cccc(C(F)(F)F)c2)c2c(ccc3[nH]cnc32)n1 39214819 KYOWDNXZEQLXPU-UHFFFAOYSA-N 342.324 5.182 0 1 EKAF CC[C@H](C(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1 95555397 UOJYNTLRZFVCLW-IBGZPJMESA-N 336.479 5.199 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(O)c(F)c2)C1 299827167 GITCVVILKRXPES-INIZCTEOSA-N 346.833 5.538 0 1 EKAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(C)ccc(C)c2[nH]1 587010770 BVPZGZVYVPGAGG-UHFFFAOYSA-N 333.460 5.202 0 1 EKAF CC[C@H](C)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207201 JVUAILALPIJYGU-KBPBESRZSA-N 327.427 5.207 0 1 EKAF CC/C=C/CCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587486992 YEMNFQRHQHYEQE-JFDDCEBESA-N 330.468 5.595 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3)c2c1 587643056 YNEAMOLLQOLLTA-GFCCVEGCSA-N 345.364 5.931 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccccc3F)c(C(=O)OC)c2c1 587643600 VVHDGHYDSHAYCQ-ZDUSSCGKSA-N 339.410 5.198 0 1 EKAF CSc1c(Cc2ccc(Cl)cc2)c(SC)n2ccncc12 653847529 QOHZLTLMAUWMBH-UHFFFAOYSA-N 334.897 5.022 0 1 EKAF CCn1c(=O)cc(C)c2cc(-c3cccnc3-c3ccccc3)ccc21 1857540988 HNYGOIHTBBJKSQ-UHFFFAOYSA-N 340.426 5.059 0 1 EKAF CC(C)=CCCC(=CCCC(C)=CCc1cc(O)ccc1O)C(=O)O 2356539223 GUUYAYWHUNNGTK-UHFFFAOYSA-N 344.451 5.124 0 1 EKAF CCC=CCC=CCC=CCCCCCCCCCCC(=O)OC 2356739739 ZTNUBEFSFKRQJD-UHFFFAOYSA-N 334.544 6.919 0 1 EKAF Cc1ccc(-c2ccc(C(=O)NCc3ccccc3)o2)c2ccccc12 8680090 LTJXXIIGQQMGSH-UHFFFAOYSA-N 341.410 5.338 0 3 EKAF aggregator COc1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1 13479205 BQEBXBPAKJNHQZ-UHFFFAOYSA-N 347.414 5.041 0 1 EKAF in-vitro CN1[C@H]2CC[C@@H]1[C@@H](/C=C\c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 13742495 VQILFFVIWGYQHG-FGCIZNEZSA-N 337.894 5.620 0 1 EKAF CCOc1c(C(C)C)cc2ccc(C)c3c2c1O[C@H](C=C(C)C)[C@H]3O 14690315 OTUPBCGZQLZEQS-YLJYHZDGSA-N 340.463 5.431 0 1 EKAF biogenic C[C@@H](CC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826841 WFXGFQNNLYOETN-INIZCTEOSA-N 345.467 6.010 0 1 EKAF in-vivo CCCCCOc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 29128682 UIUWRIVICIXWJW-UHFFFAOYSA-N 342.483 5.226 0 1 EKAF O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1cccc(Cl)c1 49088267 LTNVPMFMCXWTTF-HNNXBMFYSA-N 334.872 5.099 0 1 EKAF CC1(C)CC(=O)[C@H]2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)C1 169723763 QVUFWKQZYQGGPB-XMSQKQJNSA-N 347.433 5.410 0 1 EKAF C[Si](C)(C)CCCCn1cc[n+](-c2ccc(-c3ccccc3)cc2)c1 195489947 MMRCGZHOQCNSMJ-UHFFFAOYSA-N 349.574 5.550 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884246 OZWVITVSDDMFTE-WOLPVMLTSA-N 338.348 5.189 0 1 EKAF CC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356718 RGLCCWZTQNXDOH-GHTZIAJQSA-N 342.410 5.085 0 1 EKAF Fc1cc(Cl)ccc1-c1[nH]c2cccc(F)c2c1-c1ncc[nH]1 587634854 UQNWXYWIRUOPED-UHFFFAOYSA-N 329.737 5.157 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCCCC2)N1 587821513 VGLCIQRYBZUSBE-BDJLRTHQSA-N 340.280 5.134 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4ccc(Cl)cc4[nH]3)ccc2c1 587934584 DJLNYOHSLSEDKX-GFCCVEGCSA-N 336.822 5.530 0 1 EKAF Cc1ccc(C(c2ccc(C)cc2)[S@@](=O)Cc2cccs2)cc1 1772582511 QUMHMNSOISGBJC-QHCPKHFHSA-N 340.513 5.403 0 1 EKAF O=C(O)CCCOc1ccc(-c2cccc(Oc3ccccc3)c2)cc1 1857627714 NWBXINDGEUFMJI-UHFFFAOYSA-N 348.398 5.390 0 1 EKAF CC(C)=CCC[C@]1(C)Oc2cc(C)cc3c2[C@H]2C[C@@](C)(CC[C@@H]21)O3 2356630587 XJZUAVILVOHKCU-QPAOKJHLSA-N 326.480 5.927 0 1 EKAF CCCCCC=CC[C@H](O)C=CC=CCC=CCCCC(=O)OCC 2356678922 YCIKGMHBYGTPMB-NRFANRHFSA-N 348.527 5.666 0 1 EKAF CC(C)(C)c1cc(/C=C/c2nnc(S)s2)cc(C(C)(C)C)c1O 13826649 ZWGTUOQMKRRRNZ-BQYQJAHWSA-N 348.537 5.298 0 1 EKAF CCCCc1c(C)c(O)c(CCCC)c(CCCC)c1CCCC 28821159 BRLKQGKVHGJGTM-UHFFFAOYSA-N 332.572 7.071 0 1 EKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc(F)cc4)[nH]c23)O1 36423294 FGLLEAKHILTZBN-UHFFFAOYSA-N 346.405 5.626 0 1 EKAF COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(C(C)C)cc1)[C@@H](C)C2 40934192 MSNFOTRDVKJSKL-HOTGVXAUSA-N 339.479 5.339 0 1 EKAF O=C(O)CCCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 45325036 QXHZWLYQTVDGSH-UHFFFAOYSA-N 347.458 5.097 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(C(F)(F)F)c1 49088074 HIMOFWHLZQAPSP-UHOFOFEASA-N 343.389 5.255 0 1 EKAF CCCCCCc1ccc(-c2nc(N)[nH]c2CCCCCC)cc1 84732123 FNGSSWJFMAENSO-UHFFFAOYSA-N 327.516 5.905 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2c(c1)Cc1ccccc1-2 95563520 QVJJBJLTAASBMH-URXFXBBRSA-N 343.514 5.682 0 1 EKAF CCCCCCOc1ccc2c(c1)c(-c1ccccc1)cc1nncn12 150299061 GEKVAHXVOWSAIE-UHFFFAOYSA-N 345.446 5.509 0 1 EKAF in-vivo Clc1ccc2c(N[C@H]3CC[C@H](N4CCCCC4)CC3)ccnc2c1 253918496 SVJCZPVZDHLIEP-QAQDUYKDSA-N 343.902 5.097 0 1 EKAF Cc1cccc(-c2ccc(C(=O)N(C)c3cccc(Cl)c3)s2)c1 299837531 RCHVMXLELLTODJ-UHFFFAOYSA-N 341.863 5.654 0 1 EKAF C=Cc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 586880990 JCKKNEFIAYEFES-UHFFFAOYSA-N 326.399 5.452 0 1 EKAF Cc1cc(C)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077908 ZHSDHPVYASLALQ-SFHVURJKSA-N 339.870 5.170 0 1 EKAF O=C(c1c(Cl)cnc(Cl)c1Cl)c1coc2ccccc12 587280978 MGSADLCKGUINAX-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2CC2)C3)c1 587367843 XWDZZMDACURDGN-KRWDZBQOSA-N 341.410 5.706 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC=C(C)C)(C1CCC1)CC2=O 587489176 NHDJGDJYCCTPSY-OAQYLSRUSA-N 328.452 5.205 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](C)Cc2ccc(OC)cc2)N1 962946314 LETHAEXKWQSPET-ZDPZECHZSA-N 348.490 5.021 0 1 EKAF CC1CCN(CCCCCOc2ccc(-c3ccccc3)cc2)CC1 1857551646 LGTHLZRXZSFLAM-UHFFFAOYSA-N 337.507 5.635 0 1 EKAF c1ccc(-c2ccc(OCCCCCCN3CCCCC3)cc2)cc1 1857568425 RUSXTYISIIQEMC-UHFFFAOYSA-N 337.507 5.779 0 1 EKAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3)cc2)c1 1857639087 QLWDOUDYHKIEMK-UHFFFAOYSA-N 337.806 5.268 0 1 EKAF COc1cccc([C@H]2CC(c3ccc(O)cc3)=Nc3ccccc3O2)c1 49125451 SINYYMFJTVHNFV-JOCHJYFZSA-N 345.398 5.045 0 1 EKAF O=c1c(/C=C/C=C/c2ccc(Cl)cc2)coc2ccc(Cl)cc12 64553487 OAMQCSJHFUJAQZ-ZPUQHVIOSA-N 343.209 5.826 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2C)nn1 103295105 MUGWJVJGGCVWCO-UHFFFAOYSA-N 343.352 5.523 0 1 EKAF CCCC/C(=C(/CCCC)[C@@H]1C=CC(O)=CC1)c1ccc(O)cc1 111460725 NQAUIXWEWHWTQZ-KHOFPDMRSA-N 326.480 6.544 0 1 EKAF O=C(O)CCC/C=C\CCCC/C=C\C/C=C\CCCCC(=O)O 169622030 XXBTWFRPYVFWSA-USRXDSLMSA-N 336.472 5.505 0 1 EKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1 212071137 WQOSNKWCIQZRGH-IWXURYHGSA-N 326.480 6.338 0 1 EKAF CCC(=O)[C@@H]1[C@H](c2ccc(C3CCCCC3)cc2)C[C@H]2CC[C@H]1N2C 253635711 AOGDHAKOMBZIIJ-ADYITMSISA-N 339.523 5.280 0 1 EKAF O=c1ccc([C@@H]2CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]4CCCC[C@H]4CC[C@@H]32)co1 263636622 HAJGVUYNXHQLER-SPXDXHPXSA-N 326.480 5.376 0 1 EKAF Clc1cnc2[nH]c(-c3ncsc3-c3ccccc3)nc2c1Cl 587027354 CHRQJNHFMVIJHX-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF COc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1F 587054294 NZQFODFRLJLDNB-AATRIKPKSA-N 337.181 5.188 0 1 EKAF Cc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114434 UEWUURKHRROLCO-CYBMUJFWSA-N 332.369 5.545 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587146180 CKIBUPTUMXDORG-PLNGDYQASA-N 338.279 5.339 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404026 TVVNSICCNKEVBQ-VGOFRKELSA-N 341.495 5.464 0 1 EKAF Fc1cc2c(-c3ccccc3)c(C(F)(F)Cl)[nH]c2cc1Cl 587629206 YMBLUVRYVIWTGT-UHFFFAOYSA-N 330.136 5.916 0 1 EKAF CC(C)(C)c1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(F)cc1F 587634504 HWSANRAMCNJYNG-UHFFFAOYSA-N 346.352 5.135 0 1 EKAF COc1ccc(C2(c3nc4cccc(C)c4[nH]3)CC3(CCC3)C2)cc1 587934903 HZARKBFPIPJBIY-UHFFFAOYSA-N 332.447 5.130 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 587963897 VMGAUQQHIVWILZ-UHFFFAOYSA-N 348.494 5.153 0 1 EKAF Oc1ccc2c(c1)[C@@H](c1ccc(-c3ccc(Cl)cc3)s1)NCC2 963329732 RWBLCNNKWCDCGF-IBGZPJMESA-N 341.863 5.009 0 1 EKAF CCCCCc1cc(O)c([C@H](O)C[C@@H](C)CCC=C(C)C)c(O)c1 2356551405 FBGKSDGGQKSQAK-FUHWJXTLSA-N 334.500 5.637 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(O)cc(C)cc2O1 2356738484 IZABSJRYMPZMIH-JOCHJYFZSA-N 328.496 6.257 0 1 EKAF COc1cc2c(cc1O)C=C1[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]13C)O2 2356787579 BMXHGVBOLARWGS-BWAGFHJFSA-N 342.479 5.562 0 1 EKAF COc1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N 26640422 RGFKDGSHJLZDHL-DTQAZKPQSA-N 349.518 6.187 0 1 EKAF c1ccc(CCCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28119270 QHHSXUAJGPXJIW-PSWAGMNNSA-N 340.470 5.494 0 1 EKAF O=C1c2cccn2-c2ccccc2S[C@H]1c1cccc2ccccc12 38305566 GSHOISGQYADNHU-QFIPXVFZSA-N 341.435 5.660 0 1 EKAF Fc1ccccc1C(=C(c1ccccc1)c1ccccc1)C(F)(F)F 43439833 OCANRERMYPDAJF-UHFFFAOYSA-N 342.335 6.347 0 1 EKAF C=Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 198619594 NWHPIFFRWWMMHZ-UHFFFAOYSA-N 335.410 5.516 0 1 EKAF CC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C 238731105 FDYRTDQCHYCUAP-LJOUCLAASA-N 330.512 5.517 0 1 EKAF Clc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1 299850922 CZTGOQSKCZVGPO-UHFFFAOYSA-N 338.823 5.150 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586880744 GXHNTSZCUPVKPJ-UHFFFAOYSA-N 336.332 5.474 0 1 EKAF Oc1ccc(C2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)cc1 586899484 YPERCLIHNYPRFZ-UHFFFAOYSA-N 342.398 5.141 0 1 EKAF Cc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587048645 DCNRDZSQHNBBBM-UHFFFAOYSA-N 346.817 5.671 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cccc4[nH]ccc34)nc3cccc1c23 587106871 NZRHFAWRTJNWEQ-UHFFFAOYSA-N 346.389 5.595 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4c(C)nc(C)cc4[nH]3)c2)c1 587160206 LYEZULBCOZUUOG-UHFFFAOYSA-N 347.393 5.056 0 1 EKAF C[C@H]1c2c(Br)cccc2-c2nc3cccc4c3c(c21)CC4 587209247 LPXHGHIODGBVCV-JTQLQIEISA-N 336.232 5.228 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(CC)cc1)CC2=O 587488630 JIVLDYRBDQFRHB-QFIPXVFZSA-N 338.447 5.178 0 1 EKAF Cc1cc(Cl)cc2c(CCC(=O)O)c(-c3ccc(Cl)cc3)[nH]c12 587623939 CFHWXAPHZBTJAN-UHFFFAOYSA-N 348.229 5.467 0 1 EKAF CC(C)(C)c1ccc(OCc2nc(-c3ccc(F)cc3)cs2)cc1 587922483 DOKLYJJETXXLDN-UHFFFAOYSA-N 341.451 5.826 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3c(Cl)cccc3Cl)n2)c1 587922726 YAZVAWUXZVASRR-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587952907 XSHXXNBVCKFMSR-UMNHJUIQSA-N 342.270 5.311 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)C1 587969606 QJVCAWROVHWHTB-NXEZZACHSA-N 339.252 5.394 0 1 EKAF Oc1ccc2c(c1)[C@H](c1ccc(-c3ccc(Cl)cc3)s1)NCC2 963329733 RWBLCNNKWCDCGF-LJQANCHMSA-N 341.863 5.009 0 1 EKAF O=C1C=CC[C@H](c2ccc(CCCc3ccccc3)c3ccccc23)O1 1772653529 BMSICQYLBRJVTJ-HSZRJFAPSA-N 342.438 5.559 0 1 EKAF Oc1ccccc1-c1cc(-c2ccco2)nc2c1Cc1ccccc1-2 1772655871 QIZGINQGIVXJIV-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF CNCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857604307 HHJLPKVJXRJCQC-UHFFFAOYSA-N 347.849 5.041 0 1 EKAF Clc1ccc(SCCCSc2nc3ccccc3[nH]2)cc1 1857646771 PXJGKJKWKULVGQ-UHFFFAOYSA-N 334.897 5.491 0 1 EKAF C/C(=C\C=C\[C@H](C)/C=C\CC(C)C)CC[C@H]1C=C(C(=O)O)CCC1 13398859 POOTZJVXDGHNMQ-OUIQXNLQSA-N 330.512 6.319 0 1 EKAF C[C@H](O)CCCCCCCCCCCCc1ccc2c(c1)OCO2 14591345 OKVJARRIMBJYOS-SFHVURJKSA-N 334.500 5.630 0 1 EKAF biogenic Cc1ccc(C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1 44220764 PSNXZFHOXRQPDW-UHFFFAOYSA-N 338.372 6.516 0 1 EKAF O=C1CCCC[C@H]1[C@H](Nc1ccc(F)cc1F)c1ccc(F)cc1 66258957 QJCAFBAPMUAMDD-DNVCBOLYSA-N 333.353 5.016 0 1 EKAF Fc1ccccc1CNc1cc(Oc2cccc3ccccc23)ncn1 82067780 KAVIAGMYAYMEIS-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF Nc1sc2ccccc2c1Nc1ccc(F)c(C(F)(F)F)c1 223041742 SHZMAXSIYKVWTC-UHFFFAOYSA-N 326.318 5.385 0 1 EKAF CC(C)CCOc1cc2nc(C3CCC3)[nH]c2cc1Br 586884549 PFCQNYJNWIKCPZ-UHFFFAOYSA-N 337.261 5.018 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)c(C)ccc2[nH]1 587066067 HCHUMCVMGGLQPO-UHFFFAOYSA-N 335.838 5.599 0 1 EKAF COc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Cl 587085717 CSGJEJISDQGEHU-UHFFFAOYSA-N 344.201 5.094 0 1 EKAF Cc1ccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587207402 SNFJIDHAMLMLNZ-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF CC[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500424 BTWWFGNOZYAFCP-NRFANRHFSA-N 342.385 5.114 0 1 EKAF CC(C)[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520953 BKAYLIFDIWKTHL-QFIPXVFZSA-N 326.480 5.506 0 1 EKAF Cc1nccc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783960 KBZQYEUQRSUDEE-XFXZXTDPSA-N 341.414 5.016 0 1 EKAF Cc1ccnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587949910 NAVOMEGEJNWILK-VAWYXSNFSA-N 327.387 5.229 0 1 EKAF Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1772604585 IFXWFVDOUIEPCB-UHFFFAOYSA-N 338.234 6.036 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H]([C@@H](C)CCC=C(C)C)CCC(C)=CCC[C@H]12 2356358611 SOAIWELMVRCOAD-XZEAGOEVSA-N 346.511 5.252 0 1 EKAF S=c1nc(Nc2ccc(Cl)cc2)c2c3c(sc2[nH]1)CCCC3 6512568 IFCMUBBXAZVPGB-UHFFFAOYSA-N 347.896 5.630 0 1 EKAF COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1 13678081 INSTYRCFWTXRGE-UHFFFAOYSA-N 325.496 5.436 0 1 EKAF CCN(C(=N)Nc1cccc2ccccc12)c1cccc2ccccc12 13733790 JQPVXXXCMHGFNT-UHFFFAOYSA-N 339.442 5.866 0 1 EKAF CCCC/C=C(/C)c1ccccc1OCc1cccc(C(=O)OC)c1 25987851 VJMAAJSVPPLVAC-YVLHZVERSA-N 338.447 5.646 0 1 EKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(Cl)cc2C)cc1 40894139 TUKCDTHIERMZLR-FQEVSTJZSA-N 340.854 5.364 0 1 EKAF CN(Cc1ccccc1)Cc1coc(-c2cccc3ccccc23)n1 72186329 HWSFCIWHRYGKJQ-UHFFFAOYSA-N 328.415 5.127 0 1 EKAF C1=C(CCNc2cncc(Oc3cccc4cccnc34)n2)CCCC1 82068499 SCUWFLJBMPVCIA-UHFFFAOYSA-N 346.434 5.120 0 1 EKAF CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1 95554404 ADZOQOOHSKDGKU-QGZVFWFLSA-N 342.870 5.073 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@@H]2CC[C@@H]1N2C 169330710 AOGDHAKOMBZIIJ-KGSLCBSSSA-N 339.523 5.280 0 1 EKAF CC1=CC[C@H](C(C)(C)Oc2cc3occc3c3oc(=O)ccc23)CC1 238774425 WKYMIOLWRMMQPK-AWEZNQCLSA-N 338.403 5.443 0 1 EKAF Cc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586991102 IHJJLAWYWICRTG-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF c1csc(-c2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)n1 587023349 JGFICUMVLURSNH-UHFFFAOYSA-N 331.444 5.232 0 1 EKAF CC(C)(C)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079182 ARSDPUOAYJVPLN-KRWDZBQOSA-N 326.827 5.190 0 1 EKAF CC[C@@H]1CC[C@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100329 GMNVGAKPCFOOBM-DZGCQCFKSA-N 341.454 6.146 0 1 EKAF Cc1cncc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587163476 JMYQLGUOINVTDF-OQLLNIDSSA-N 335.407 5.056 0 1 EKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2cc(F)ccc12 587634349 VNRLLEWAFXUCSE-UHFFFAOYSA-N 336.179 5.438 0 1 EKAF c1ccc(CC2CCN(C[C@H]3CSC4(CCCC4)S3)CC2)cc1 1911578686 AIHHKXSJJYAYND-IBGZPJMESA-N 347.593 5.060 0 1 EKAF CC(C=CCc1ccoc1)=C[C@H](O)CC(C)=CCCc1ccoc1 2356638952 YORXHKRBOKTBBA-NRFANRHFSA-N 326.436 5.248 0 1 EKAF CC1=CCCC(C)=C[C@@H](O)c2cc(O)c(cc2O)CC(C)=CCC1 2356673350 HVZGTYJQAXSGCR-HXUWFJFHSA-N 328.452 5.087 0 1 EKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](CCC(C)C)Oc1ccccc1-3 27073515 NVTFLQJKFXTAOZ-OAQYLSRUSA-N 347.502 6.831 0 1 EKAF CC/C=C(\c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1 28764821 WSICPZVXIGSDQT-KPSZGOFPSA-N 338.838 5.415 0 1 EKAF COc1ccccc1C1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1 29563744 CHUWNLPOBRVCIL-UHFFFAOYSA-N 346.474 5.070 0 1 EKAF CCCCCNC(=O)OCCCC/C=C\CCCCCCC(=O)O 43059119 MSASWGXYEFVTGT-ALCCZGGFSA-N 341.492 5.055 0 1 EKAF in-vivo Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3c1ccccc1 104106475 TZRCPETWGMZHHD-OAQYLSRUSA-N 340.426 5.757 0 1 EKAF CC(=O)O[C@H]1/C=C(\C)CC/C=C(/C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169368125 BKJINAIBPPZCQQ-CLPBRGEESA-N 348.527 5.354 0 1 EKAF C[C@@H](C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N=O 169684304 SMYGCCOEFJLMEV-ADRNOYMMSA-N 345.527 5.471 0 1 EKAF Cn1cc(C(c2cn(C)c3ccccc23)C(F)(F)F)c2ccccc21 221050946 RIDVLFVMQKNROW-UHFFFAOYSA-N 342.364 5.364 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586890978 QFTDNDXCVGQRGU-QFYYESIMSA-N 337.261 5.016 0 1 EKAF FC(F)(F)c1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587026007 QKHIZRJOIWGRKY-UHFFFAOYSA-N 345.349 5.372 0 1 EKAF CC[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100368 HZRVIGMAVKHORN-CQSZACIVSA-N 327.427 5.585 0 1 EKAF CC[C@@H](C)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208004 PPWOBUQCFDZDMQ-CABCVRRESA-N 341.454 5.912 0 1 EKAF Nc1ccc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587251263 ADRCNLGSYPBJEK-MDWZMJQESA-N 343.455 5.467 0 1 EKAF Cc1cccc2c1[C@H](C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522220 FLDCDSUZHCRAFW-CMJOXMDJSA-N 332.443 5.242 0 1 EKAF C[C@@H](CCc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527451 WHQBFMPDTUZHTH-AOMKIAJQSA-N 334.459 5.168 0 1 EKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2c(C)cc(Cl)cc12 587623551 JBHPHNDHVSQURE-UHFFFAOYSA-N 340.637 6.118 0 1 EKAF Cc1cc(Cl)cc2c(-n3ccnc3)c(-c3ccc(F)cc3)[nH]c12 587624670 OTTKHXIECPVXQG-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF Cc1cccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c1C 587627189 PCEQOLBHQYZCTJ-UHFFFAOYSA-N 326.827 5.307 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1 587966689 DVUNMJXIHWAXLZ-VKAVYKQESA-N 332.447 6.505 0 1 EKAF CC/C(=C/c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 587968949 XAWAXDKYYQGSHL-QBFSEMIESA-N 346.352 5.721 0 1 EKAF CSc1ccccc1N(C)CC(=O)c1ccc(-c2ccccc2)cc1 1857633481 UKSMKEYBFNTGIP-UHFFFAOYSA-N 347.483 5.395 0 1 EKAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 254047168 LTDMCKMWCXEYTN-BEASBSCMSA-N 330.512 5.049 0 3 EKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)CC2 15115035 RPTCPOYESVSHEY-LJQANCHMSA-N 338.447 5.279 0 1 EKAF biogenic O=C(O)c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 28463055 MCZHHYMRHVFKKB-UHFFFAOYSA-N 348.442 5.225 0 1 EKAF CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 28570251 DUEQQGIBXOVGGK-HNNXBMFYSA-N 346.883 5.125 0 1 EKAF CCCCc1ccc2nc(NC(=O)c3cc(C)cs3)sc2c1 72136112 SQWILUJSHXZIGV-UHFFFAOYSA-N 330.478 5.261 0 1 EKAF CC(=O)O[C@H]1/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]1[C@H](C)CCC=C(C)C 145310939 OTJQNVRXLNWAOT-FFJUBWNPSA-N 348.527 5.354 0 1 EKAF CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C/[C@@]12C[C@]1(C)CCCC2(C)C 169301602 ZQAZXAXJQNKOAF-OSANPOAASA-N 342.523 6.161 0 1 EKAF Clc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1Cl 169348236 LRTZVNJTJJWYOT-UHFFFAOYSA-N 325.582 5.364 0 1 EKAF COC(=O)CCCCCCC[C@@H](CCCCCCCCCO)OC 238756069 SDLFWAMOOPXTNK-LJQANCHMSA-N 344.536 5.018 0 1 EKAF CC(C)(O)CCCCc1ccc(CC[C@]2(C)CC[C@@H](O)CC2)cc1 253632662 ACLUTGGMNKIXIY-AQYVVDRMSA-N 332.528 5.044 0 1 EKAF O=[S@@]1C(Cl)=C(c2ccc(Cl)cc2)c2ccc(Cl)cc21 299807614 KRQWXYQYYVKGQP-IBGZPJMESA-N 329.635 5.070 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cnc4ccccc4c3)cs2)c1 473086936 IVFZEDHKRODUQE-UHFFFAOYSA-N 349.484 5.246 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2C1 587033216 HJJJIIHNQXJULP-SSDOTTSWSA-N 338.810 5.348 0 1 EKAF CC(=O)Cc1c(C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099668 RLFKYRORWAXDRT-UHFFFAOYSA-N 343.426 5.010 0 1 EKAF CSc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145162 GDXZMVQYPMTOJL-UHFFFAOYSA-N 348.446 5.682 0 1 EKAF FC(F)(F)c1ccc([C@H]2CCc3nc4cccc5c4c(c32)CC5)cc1 587210076 DDKGWDLRAJIMAP-OAHLLOKOSA-N 339.360 5.430 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)c1 587235306 NCWIYZJIGBSQGN-UHFFFAOYSA-N 347.849 5.900 0 1 EKAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587364499 BWDUXCHQYXADSN-UHFFFAOYSA-N 331.415 5.781 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1oc3ccccc3c1C)CC2=O 587479586 INUFDONMGMLCSC-IBGZPJMESA-N 336.387 5.106 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(C)cc1)CC2=O 587488322 IWVPMLTZGKXPOK-QFIPXVFZSA-N 338.447 5.010 0 1 EKAF CC(C)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587533610 RNTQTNWIXQWUDW-HXUWFJFHSA-N 336.431 5.101 0 1 EKAF CCC[C@]1([C@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814228 SFWOVXZCOSRDLT-BWACUDIHSA-N 342.296 5.164 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587933149 UPIAAHWHRINIJM-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF COc1cc(C)c2c(c1)C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356567257 NNFRWFGYSHMIQW-QHCPKHFHSA-N 340.507 6.641 0 1 EKAF Cc1nc2c(C)cccn2c1[C@H](Nc1ccc(F)cc1)c1ccccc1 4949676 BMYZVIISTZYVFH-HXUWFJFHSA-N 345.421 5.292 0 1 EKAF O=C(C[C@H](C(=O)c1cccs1)c1cccs1)c1ccsc1 6513145 QGRCLWKDGPDJCL-LBPRGKRZSA-N 332.471 5.111 0 1 EKAF CC(=O)O[C@H]1CC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]2C1(C)C 13302156 PHSKKUGTTBRRRA-JAXLGGSGSA-N 344.495 5.087 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2O 13302648 HCQUMJYLWCSLLR-GCKMJXCFSA-N 332.484 5.045 0 1 EKAF biogenic O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 13554023 FHQODQOFYNUYNU-UHFFFAOYSA-N 346.426 5.139 0 1 EKAF CCCCCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 29464301 RJBRZUPBDSFIAM-UHFFFAOYSA-N 336.262 5.978 0 1 EKAF Fc1ccc(-c2n[nH]cc2-c2ccnc(NC3CCCCC3)c2)cc1 71788644 JMLIPRNMUGOAAS-UHFFFAOYSA-N 336.414 5.022 0 1 EKAF in-vitro Cc1cccc(-c2nc(CN[C@H](C)c3cccc4ccccc34)co2)c1 72103824 WSKDLGOZDCAYBI-QGZVFWFLSA-N 342.442 5.654 0 1 EKAF CSc1ccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)cc1 74388348 PAJAEVTYURLORO-UHFFFAOYSA-N 335.407 5.153 0 1 EKAF COc1ccccc1C(=O)C[C@@H](Sc1ccccc1)c1ccco1 103168691 UDIWPNPMNJYGDH-HXUWFJFHSA-N 338.428 5.395 0 1 EKAF Cc1cnc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 587030775 KZWGFNPEVGAUAJ-CYBMUJFWSA-N 348.475 5.225 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc3ncccc3c2[nH]1 587068001 VTYOVMVVOSNVKT-GFCCVEGCSA-N 337.810 5.213 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1C1CCCCC1)O2 587405955 OOXBSMQQIWIOBJ-OAQYLSRUSA-N 335.447 5.331 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587623897 ACVTVHNRKXZSMW-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2cc(F)ccc12 587633337 ALMAAEUQKMVAMY-UHFFFAOYSA-N 338.813 5.716 0 1 EKAF Cc1cc(-c2[nH]c3cccc(F)c3c2N2CCCCC2)cc(C)c1O 587637064 UOKAUTOIYFVSHN-UHFFFAOYSA-N 338.426 5.287 0 1 EKAF Fc1cc(Cl)c(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1 587873238 DSGZCVMLISWYKH-UHFFFAOYSA-N 339.128 5.230 0 1 EKAF Fc1ccc(F)c(-c2csc(Cc3c(F)cccc3Cl)n2)c1 587921579 HVYNTGUTCUHEMZ-UHFFFAOYSA-N 339.769 5.472 0 1 EKAF Clc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Cl 587964939 JXXOHKLLJVKLOL-UHFFFAOYSA-N 333.262 5.709 0 1 EKAF CC[C@@H]1CCC[C@H]([C@@H]2c3ccsc3CCN2Cc2cccn2C)C1 962373388 LPZSJNGBVHMPNT-LLGFUMIMSA-N 342.552 5.402 0 1 EKAF C[C@]1([C@H]2CC3CCC2CC3)NCCc2cc(-c3ccccc3)ccc21 962671251 TXXDQTMOVFJNMY-GPLNXTFSSA-N 331.503 5.541 0 1 EKAF O=C(CCC1CCN(CC2CCCC2)CC1)c1ccc2[nH]ccc2c1 1857606530 MIGORCBCNUSMCM-UHFFFAOYSA-N 338.495 5.033 0 1 EKAF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 776274 YRMKIOLMFODCJL-UHFFFAOYSA-N 342.483 5.148 0 1 EKAF CSCSc1cc(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]1 5892048 AGRSTTVMWWVJEL-UHFFFAOYSA-N 347.549 5.119 0 1 EKAF in-vivo COc1cccc2c(Nc3ccccc3C)c(C(=O)C3CCC3)cnc12 13727247 ZNTDOPFZLXOXLH-UHFFFAOYSA-N 346.430 5.278 0 1 EKAF C[C@@H](c1ccc(O)c(F)c1)[C@@H](CC(F)(F)F)c1ccc(O)c(F)c1 33852263 PRRSFMGODMUPJN-JOYOIKCWSA-N 346.295 5.216 0 1 EKAF in-man CCCCCC[C@H](O)C/C=C/CCCCCCCCCC(=O)OC 34911864 NIOKVQPUJKYTOZ-IURSYISVSA-N 340.548 5.948 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)c(-c3cccc(O)c3)s2)c1 45259161 ZQUCGOXYEIRCOX-UHFFFAOYSA-N 344.435 6.160 0 1 EKAF in-vivo Cc1ccc(C2=NO[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103291895 MCKOBBKCCXELOD-QHCPKHFHSA-N 343.426 5.440 0 1 EKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(F)cc2)nn1 103293843 JECJPKPQCUXRRK-UHFFFAOYSA-N 347.315 5.354 0 1 EKAF CCC[C@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 238756096 JBDHOPIBEWESIO-VNTMZGSJSA-N 340.548 5.900 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O)[C@]1(C)CCCO1 299859889 ZAZQYTVKLWKJOE-PGYINGJCSA-N 334.544 6.116 0 1 EKAF c1ccc(COc2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1 586901496 LNHYJYGIJKOLOW-UHFFFAOYSA-N 330.387 5.279 0 1 EKAF Cc1ccc(C)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587134231 KTHVXZMMFBJXEP-WAYWQWQTSA-N 338.279 5.046 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1F 587146024 VQCJDFGULGWNDC-UHFFFAOYSA-N 346.340 5.051 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)cc(C)c4[nH]3)c2)c1 587160148 JARNJNXZYYNBIZ-UHFFFAOYSA-N 346.405 5.661 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208178 QYATWYQKFUATAJ-CABCVRRESA-N 341.454 6.083 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc12 587242418 LDMWJXUMVSQIQV-UHFFFAOYSA-N 329.403 5.296 0 1 EKAF Cc1cccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587405489 LPAQTNVOCNUONV-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF CC(C)=CCC[C@H](C)C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528174 YSPUIIWFHGTNRK-WMZOPIPTSA-N 326.480 5.672 0 1 EKAF C[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532219 OSSKRBHGAOMXPI-SFHVURJKSA-N 332.852 5.161 0 1 EKAF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12)C(F)(F)F 587633849 OJGAJPSISBWYLD-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF COc1cccc(C2(c3nc4ccc5c(c4[nH]3)CCCC5)CCCC2)c1 587933481 PKMKTPJCSNNLQS-UHFFFAOYSA-N 346.474 5.310 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587952332 OYBATHQGTQEISC-UMNHJUIQSA-N 342.270 5.311 0 1 EKAF O=C(Nc1ncc(Cc2cccc3ccccc23)s1)c1ccccc1 3034831 YDOCNAXKSHYVIC-UHFFFAOYSA-N 344.439 5.139 0 1 EKAF Oc1cc(Cl)c(Cl)c(Cl)c1-n1ccc(Cl)c1Cl 5162984 VQUHAXJBUPCVDX-UHFFFAOYSA-N 331.413 5.450 0 1 EKAF biogenic,in-vitro CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)CC2 13463012 ABVFMWBMLLVZDP-SPLOXXLWSA-N 346.467 5.157 0 1 EKAF biogenic FC(F)(F)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517651 RAQANEKSXMAEAN-UHFFFAOYSA-N 349.396 5.270 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)nccc23)cc1 45300453 KFVHNNOZNKAWOT-UHFFFAOYSA-N 347.218 5.004 0 1 EKAF Fc1ccc(Cn2c(=S)oc3ccc(Cl)cc3c2=S)cc1 53298400 UQTQJDMIZRWQTE-UHFFFAOYSA-N 337.828 5.534 0 1 EKAF C1=NC[C@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169328311 RFEDASQCPIEZHK-GINFHZKPSA-N 348.534 5.680 0 1 EKAF CCC(=O)[C@@H]1[C@H](c2ccc(C(CC)CC)cc2)C[C@H]2CC[C@H]1N2C 253898165 QRTMYRXFCOZLFS-XAPVIXHLSA-N 327.512 5.136 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587171072 IHZVGBHKJWLYQG-LBPRGKRZSA-N 343.471 5.290 0 1 EKAF CC(C)(C)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258839 UPWBDCCOZDICBN-IBGZPJMESA-N 343.474 5.256 0 1 EKAF Cc1cccc2c1[C@@H](C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522237 FLDCDSUZHCRAFW-WNSKOXEYSA-N 332.443 5.242 0 1 EKAF CCC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532652 RIOSAXXUWKRTES-HXUWFJFHSA-N 326.461 5.288 0 1 EKAF C[C@]1(c2cnc3ccsc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587539317 VKIQWFURKVRYIZ-OAQYLSRUSA-N 349.455 5.056 0 1 EKAF CC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587951188 XOBDBFPTFWAULR-UHFFFAOYSA-N 342.398 5.149 0 1 EKAF CC1(C)CCC(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 587961128 DHKIKRHBTHJIRH-UHFFFAOYSA-N 344.808 5.994 0 1 EKAF Oc1ccc(-c2cc(-c3cccnc3)nc3c2Cc2ccccc2-3)cc1 1772657178 FHWGIQXGMCJJFM-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CC(=O)OCC=C(C)CCC[C@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C 2356471358 UMBAAYHFKZFIKK-HFSMHLIXSA-N 336.560 6.545 0 1 EKAF Clc1ccc2nc(C3CCCCC3)c(CC3CCCCC3)n2c1 95598861 NTJMAHLZZXPGLH-UHFFFAOYSA-N 330.903 6.158 0 3 EKAF CC1(C)CCCCC[C@@](C)(CCCCCCCCCCCO)C1=O 5538603 AVVHASCLAPEHMY-JOCHJYFZSA-N 338.576 6.445 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1S[C@H]1CCCC(=O)OC 27858891 UVBQAJZBOBYZGD-NIBLXIPLSA-N 348.552 6.009 0 1 EKAF CC(=O)O[C@H]1Cc2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]12 36440067 DKFWEVHDRVCABW-JAXLGGSGSA-N 344.495 5.087 0 1 EKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](COC)CC[C@@H]12 72111293 BCWZDGCMACNAJG-GNYGEYGVSA-N 328.496 5.073 0 1 EKAF C[C@@H]1CCC[C@H](NCc2coc(-c3cccc4ccccc34)n2)[C@@H]1C 72186226 SGASSMMBMACOAI-ZOCZFRKYSA-N 334.463 5.409 0 1 EKAF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccccc2)s1 82163237 CCLVNJFHPCOUHA-ZDUSSCGKSA-N 338.480 5.040 0 1 EKAF CC1=C(CC(N)=O)c2cc(F)ccc2/C1=C/c1ccc(C(C)C)cc1 103086345 LGQQXFLHICRHFS-VXLYETTFSA-N 335.422 5.152 0 1 EKAF Nc1ccccc1NC(=O)c1cccc(-c2ccc3ccccc3c2)c1 299829105 HPITUBPHMMWOOE-UHFFFAOYSA-N 338.410 5.341 0 1 EKAF Cc1nc(C2CC2)sc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587012664 QUFAAOGBYWLTSV-UHFFFAOYSA-N 341.333 5.030 0 1 EKAF Cc1ccc2c3c(cc([C@H]4C[C@@H]5C=C[C@H]4C5)nc13)-c1ccccc1C2=O 587099509 LJMUXGOXURXVHC-VCBZYWHSSA-N 337.422 5.434 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CCCC[C@H]31 587208504 XJNWCYGLYNODER-GJZGRUSLSA-N 339.438 5.666 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(C(C)(C)C)cc31)O2 587406509 HXTHSAPTYDDQNW-HSZRJFAPSA-N 349.474 5.072 0 1 EKAF O=C1C[C@@H](c2cccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587514463 YTGFABBZYRUSGA-QFIPXVFZSA-N 343.426 5.063 0 1 EKAF Cc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587525455 NIAMBFJFNRVMKU-OAQYLSRUSA-N 331.415 5.062 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cc(Cl)cnc1Cl 587624622 PZCSDOCJLTZJTQ-UHFFFAOYSA-N 325.626 5.807 0 1 EKAF CCCCCCSc1ccc(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1 1857611224 XANFNVUDCJCYTD-XOBRGWDASA-N 339.932 5.289 0 1 EKAF CC(C)=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)O 2356422775 HVLZHPCKWVKAQH-UHFFFAOYSA-N 344.451 5.124 0 1 EKAF CC1(C)[C@H]2CC[C@H]3n4c(cc5ccccc54)C[C@]3(C)[C@]2(C)CC[C@H]1O 2356543344 LXDQTTNJDBZTFG-SXDAZYNYSA-N 337.507 5.342 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(Cl)cc3)cc2)c(=O)c1Cl 15098 UQQNJNHJFWQQME-UHFFFAOYSA-N 344.241 5.633 0 1 EKAF CC(/C=C/C=C(\C)c1ccc2cc3ccccc3cc2c1)=C\C(=O)O 66077540 XKOYCXDIIVBPJJ-OORCXZFASA-N 328.411 5.983 0 1 EKAF Cc1ccc(C(=O)n2c3ccccc3c3ccccc32)c2ccccc12 205443274 LKFUAUSEGXTMHZ-UHFFFAOYSA-N 335.406 5.945 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 238769761 ABMHRZWSHXQICN-MERKNKPRSA-N 348.527 5.046 0 1 EKAF CC(C)c1cc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c(C(C)C)c1 586896525 NJMQSBYNAOIYDX-UHFFFAOYSA-N 328.843 5.836 0 1 EKAF Clc1ccccc1-c1nc(-c2nc3cccc(Cl)c3[nH]2)co1 587062151 CPIKZIATTIORAL-UHFFFAOYSA-N 330.174 5.192 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(F)cc2[nH]1 587073745 LAUPBEWHIORYLL-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF Nc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2ccccc2c1 587251683 LHZHIIOHXAUEJN-UHFFFAOYSA-N 328.202 5.272 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CC1 587511207 FGKLPDCYNXTJLH-NRFANRHFSA-N 335.447 5.025 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523410 IOPZGULIMLCOSQ-MPHOGZCYSA-N 326.480 5.362 0 1 EKAF CC(C)C[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526852 UEHSARUTBHWVSJ-ZHRRBRCNSA-N 326.480 5.506 0 1 EKAF Cc1cccnc1-c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630122 SYSIYJSHMJLKOD-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF Cc1cc(OC(C)(C)C)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926814 PGMPEFCGCHNXQM-UHFFFAOYSA-N 337.419 5.041 0 1 EKAF CCC1CCC(C(=O)Nc2cc(O)cc(Cc3ccccc3)c2)CC1 1857765203 BTIUEOSBCFNICI-UHFFFAOYSA-N 337.463 5.138 0 1 EKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C[C@@]12CS2 2356756273 NQUOVPHNWQLADQ-GUXDEFLGSA-N 334.569 5.122 0 1 EKAF CC[C@H]([C@@H]1[C@H](c2ccccc2)CC(=O)[C@@H](C)[C@@H]1c1ccccc1)N(C)C 2356842817 MYOLZZIZNJOFGG-PSDCOACLSA-N 349.518 5.119 0 1 EKAF C[C@@]1(Cc2ccccc2Cl)C(=O)Nc2c(Cl)ccc(Cl)c21 61906366 NLHRCBMUXNXGKA-INIZCTEOSA-N 340.637 5.099 0 3 EKAF CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21 29332979 YJYUHNWFBRUMQN-IRXDYDNUSA-N 344.495 5.053 0 1 EKAF C/C(=C\[C@H]1C/C(=C\CCc2ccoc2)C(=O)O1)CCCc1ccoc1 33939628 YHLJEGITRQRPJZ-VSNLYMCCSA-N 340.419 5.016 0 1 EKAF C=CCCCCCCCCCOC(=O)OCC(Cl)(Cl)Cl 33944020 VVYINIMTIDILNY-UHFFFAOYSA-N 345.694 5.817 0 1 EKAF biogenic CC(C)=CCC[C@@](C)(/C=C/c1ccc(N)cc1)/C=C/c1ccc(O)cc1 53298108 KZIODUVAGDWQHQ-SUBODWTQSA-N 347.502 6.454 0 1 EKAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C 238768660 LNFUVCZSCYWOTA-QOXDGOHZSA-N 344.451 5.167 0 1 EKAF Cc1cc(O)c(C2=NO[C@H](c3ccc(Cl)cc3)C2)c(C)c1Cl 299865188 SQHNVZXMGIBUEV-HNNXBMFYSA-N 336.218 5.182 0 1 EKAF CC(C)CCOc1cc2nc(C3=CCCC3)[nH]c2cc1Br 586885993 YIAZWUHAEBGFAP-UHFFFAOYSA-N 349.272 5.318 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063692 SMNDWJUQSPWPLF-UHFFFAOYSA-N 348.833 5.771 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(C)(C)C)cc2[nH]1 587155621 MZSZBWWBYVMQCY-KRWDZBQOSA-N 326.415 5.530 0 1 EKAF Cc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505257 ZFWQGACOHHFYTH-LJQANCHMSA-N 326.823 5.234 0 1 EKAF Cc1cc(C)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587525345 OEMNIUPBCNXKIT-OAQYLSRUSA-N 334.459 5.506 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2c(C)cc(Cl)cc12 587627437 WGAMVPMUEJWOPS-UHFFFAOYSA-N 340.898 6.502 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]21 2356471140 PGTLDPKTOGVCIU-QMCAAQAGSA-N 344.495 5.269 0 1 EKAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)C=CCc1ccoc1 2356788259 BZKOEJGYNFANKM-NRFANRHFSA-N 326.436 5.248 0 1 EKAF C/C(=C\CC/C(C)=C/CCc1ccoc1)C/C=C/C1=CCC(=O)OC1 15222073 QJSPUICDETZEEZ-VYZVFJPZSA-N 340.463 5.705 0 1 EKAF Clc1cc(Cl)cc(O[C@@H](CCn2ccnc2)c2ccccc2)c1 40979203 DRVACNOTUXVALF-SFHVURJKSA-N 347.245 5.400 0 1 EKAF CCCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 45194945 LNONLUKVELABEO-OAHLLOKOSA-N 339.479 6.156 0 1 EKAF Cc1ccc(Nc2ccc(-c3ccccc3Cl)nc2)c(C(=O)O)c1 59022654 HJEZZPHSNDZWMM-UHFFFAOYSA-N 338.794 5.152 0 1 EKAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(F)cc1 207807984 KFSYVAHXBIKXAC-NSHDSACASA-N 341.209 5.102 0 1 EKAF CCC/C=C/CC/C=C/C=C\CC/C=C\C=C/C(=O)NCC(C)C 238785717 DSXKRJBQUCPJOW-RODMMQGASA-N 329.528 5.900 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3cc4ccccc4cc3[nH]2)cs1 587022508 YZPTZFISTWYCSJ-UHFFFAOYSA-N 330.416 5.143 0 1 EKAF CC(C)Oc1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587099179 YLJDRESGUGAEEQ-LBPRGKRZSA-N 348.368 5.521 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](C4)C1(C)C)-c1ccccc1C2=O 587101330 SEWLGMZEWWGYBD-APWZRJJASA-N 325.411 5.050 0 1 EKAF Fc1ccc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(F)c1 587149641 IHHQPMVLAVJWCE-XFFZJAGNSA-N 348.352 5.804 0 1 EKAF CC1(C)[C@H]2CC[C@]1(C)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587206168 AVIKZSYQHWDSAL-UPCLLVRISA-N 339.438 5.621 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C)c1Cl)CC2=O 587461639 LJNKXFRWEWPYGI-KRWDZBQOSA-N 330.811 5.013 0 1 EKAF Fc1ccccc1Cc1[nH]c2cccc(F)c2c1-c1ccccc1F 587634976 WXELYYFRGXVOSV-UHFFFAOYSA-N 337.344 5.843 0 1 EKAF Fc1ccc(Cc2nc(-c3cc(F)ccc3F)cs2)c(Cl)c1 587921679 QQYXPJYHTZUPLJ-UHFFFAOYSA-N 339.769 5.472 0 1 EKAF CC/C(=C/c1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 587967069 KPFJBRGAPXIURI-SSZFMOIBSA-N 327.431 5.679 0 1 EKAF C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)NCCc2cccc(-c3ccccc3)c21 962666435 JYDLHKBPDWJJPL-CTLLREPQSA-N 331.503 5.541 0 1 EKAF c1ccc([C@H](OCCCc2cnc[nH]2)c2ccc3ccccc3c2)cc1 1772602240 QPBWYJPJLYSGSG-QHCPKHFHSA-N 342.442 5.302 0 1 EKAF O=C(O)[C@H]1C[C@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 1857536080 ICHZIOIWUBMYFR-OTCDBFHCSA-N 334.202 5.137 0 1 EKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccccc2O)OC1=O 1857759392 GQRGTIMUCZUFJO-NXZBIGBUSA-N 326.436 5.389 0 1 EKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)CC2 15115037 RPTCPOYESVSHEY-IBGZPJMESA-N 338.447 5.279 0 1 EKAF biogenic COc1ccc2[nH]c(CN[C@H](C)c3cccc4ccccc34)cc2c1 27076700 AMWNDUKPAIHDBJ-OAHLLOKOSA-N 330.431 5.181 0 1 EKAF CCCCSC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 29394699 TWKDFLVEFVJYBM-SFTDATJTSA-N 344.520 5.909 0 1 EKAF Cc1cc(=O)oc2cc(Oc3cc(Cl)nc4ccccc34)ccc12 98082093 AKEWMCXXULUQBA-UHFFFAOYSA-N 337.762 5.095 0 1 EKAF c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=NO3)cc2)cc1 103293303 ZPQPLBPZCXTYPB-JOCHJYFZSA-N 329.399 5.131 0 1 EKAF C/C1=C/C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@H](O)C(C)(C)CCC1 144129264 JRSLQKPYZJDQRG-YMSPPDQESA-N 342.479 5.066 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)cc1 169339796 ATODLNCZWPWZJH-OAQYLSRUSA-N 347.439 5.456 0 1 EKAF Cc1ccc2c(c1)[C@@H](c1ccccc1)c1c(c3ccccc3oc1=O)N2 205088290 RFXGRJSLGWDBTO-HXUWFJFHSA-N 339.394 5.339 0 1 EKAF FC(F)(F)c1cccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 322715761 PNOSJECADVFMMK-UHFFFAOYSA-N 330.231 5.268 0 1 EKAF Oc1cccc(-c2cc(-c3ccccn3)c3c(n2)-c2ccccc2C3)c1 473248659 PQZILRWWAHMLMD-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Clc1cnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587051502 SVZOVPAIGXGJFU-IUCAKERBSA-N 338.625 5.189 0 1 EKAF Fc1cc(Br)ccc1-c1nc2cc3ccccc3cc2[nH]1 587143017 SBTVPUAUKWHTHU-UHFFFAOYSA-N 341.183 5.285 0 1 EKAF Cc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1C 587150877 UJMTVKBIQJYOSB-OAQYLSRUSA-N 345.421 5.520 0 1 EKAF CC(C)[C@@H](C(=O)c1coc2ccc(Cl)cc12)c1ccc(Cl)cc1 587278434 NAYHSDIKLRPVTD-GOSISDBHSA-N 347.241 6.362 0 1 EKAF C[C@](Cl)(c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499015 QHTMWQAOQQFXOB-CTNGQTDRSA-N 340.850 5.053 0 1 EKAF CCCc1ccc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525253 RIEVJPFFFKXDKS-DEOSSOPVSA-N 348.486 5.789 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccnc3Cl)c2c1 587641192 LDAHPSKKUXQSFQ-LLVKDONJSA-N 341.842 5.291 0 1 EKAF CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Cl)cc1 587649699 SHFGJRJZTJEBKE-UHFFFAOYSA-N 347.867 5.015 0 1 EKAF C=Cc1ccc(-c2cc3c(=N[C@H](C)c4ccccc4)nc[nH]c3o2)cc1 1772611089 BUUHXXGQXFYORG-OAHLLOKOSA-N 341.414 5.128 0 1 EKAF C[C@]12CCC(F)(F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 2356315174 CFOLMZDQBCZMCT-DWQYQCALSA-N 326.471 5.415 0 1 EKAF CCCCC[C@@H]1C[C@]2(C[C@@H]1CO)C[C@H]1[C@@H]2CC[C@@]2(C)CCC[C@@]1(O)C2 2356736721 KVODGEBXIXGZHI-SZMVRVGJSA-N 348.571 5.313 0 1 EKAF CN(C)c1cccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)c1 61926988 IPFZLLBRHCQCOV-UHFFFAOYSA-N 346.478 5.251 0 3 EKAF C[C@@H]1S[C@H](c2c(Cl)cccc2Cl)N2Cc3ccccc3N=C12 6003063 BUXQRRBNRBZXDV-DYZYQPBXSA-N 349.286 5.673 0 1 EKAF O=C(O)c1cccc(OCCCC2c3ccccc3-c3ccccc32)c1 13741279 VRTYOKJROJYSQD-UHFFFAOYSA-N 344.410 5.356 0 1 EKAF CCN(CC)C(=O)C[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 29413010 ZGTJEZOTMJMBSR-MSOLQXFVSA-N 339.479 5.189 0 1 EKAF Cc1ccc2[nH]c(=O)c3c(c2c1)Nc1c(cccc1C(F)(F)F)S3 64415794 OJWANCVCVZJRFL-UHFFFAOYSA-N 348.349 5.064 0 1 EKAF Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCC2CC2)cc1 66066127 NFINWJGHOWQVKC-UHFFFAOYSA-N 349.821 5.016 0 1 EKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1C 96283517 CNJJGPFTJIJTFI-UHFFFAOYSA-N 339.442 5.472 0 1 EKAF CC[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100705351 YFAGAQVOGNYMSL-ZDUSSCGKSA-N 349.459 5.122 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCC3)cc21 144771939 CYWJOTCBQNJGQB-LJQANCHMSA-N 348.364 5.034 0 1 EKAF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc4ccoc4cc3O[C@@H]21 238746349 QXWUDAROFYQULE-JTSKRJEESA-N 348.398 5.257 0 1 EKAF Cc1cc(Br)c2[nH]c(-c3coc4cc(F)ccc34)nc2c1 587174700 LRPZOPLHSRPPNE-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1Cl)CC2=O 587466674 LZTFXSHUJFNXIP-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CC(C)Cc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521419 FLZMQHTZZNHEKS-XMMPIXPASA-N 348.486 5.645 0 1 EKAF CC(C)(C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522520 IPIPDASLXPJFHJ-DEOSSOPVSA-N 348.486 5.744 0 1 EKAF Cc1nccc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783959 KBZQYEUQRSUDEE-FMIVXFBMSA-N 341.414 5.016 0 1 EKAF COc1ccc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)cc1O 587787157 QARSIZSWDOYBNB-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CC(C)Oc1ccccc1-c1nc(-c2cc(F)ccc2F)cs1 587921952 DKLKTCLOIPAUPB-UHFFFAOYSA-N 331.387 5.543 0 1 EKAF COc1cccc(-c2cccc(-n3c(O)ccc3OC(C)(C)C)c2)c1 587926817 PHUAKELDGIFULQ-UHFFFAOYSA-N 337.419 5.036 0 1 EKAF Cc1cc(Nc2cc(Cl)cc(-c3ccc(Cl)cc3)c2)nc(N)n1 1772605568 OVQGZHJKLAMOFI-UHFFFAOYSA-N 345.233 5.085 0 1 EKAF CCCCCC=CCC=CCCCCCCCC(=O)OCCCC 2356747153 SVGGKWILBMPIJV-UHFFFAOYSA-N 336.560 7.143 0 1 EKAF Clc1cccc(Cl)c1[C@H]1SCC2=Nc3ccccc3CN21 1862353 QSCYDJMUSNZHNV-MRXNPFEDSA-N 335.259 5.285 0 1 EKAF CCc1c(CC)c(OC(C)=O)c2c(C)c(C)c(C)c(C)c2c1OC 5955998 QMDUBZOTWZCQJF-UHFFFAOYSA-N 328.452 5.132 0 1 EKAF COc1c(O)c(C(C)C)cc2c1[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 13302677 HOQDFKUSWWBYGK-IIBYNOLFSA-N 330.468 5.195 0 1 EKAF biogenic Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1 13560087 ANTUWCOLVIVCSL-WEVVVXLNSA-N 330.818 5.794 0 1 EKAF Cc1ccc(Nc2cccc(-c3ccccc3Oc3ccccc3)c2)o1 34029357 VXDLGZZEANFCAZ-UHFFFAOYSA-N 341.410 6.791 0 1 EKAF CSc1nn(-c2ccccc2)c2cc(/C=C/c3ccncc3)ccc12 169706046 AOYQEXGXMSXWPT-BQYQJAHWSA-N 343.455 5.313 0 1 EKAF CSc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048387 VCIIKFBTULCOKC-QWRGUYRKSA-N 349.286 5.863 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[nH]1 587096082 FWVYXANLAQEHCU-UHFFFAOYSA-N 338.410 5.367 0 1 EKAF CC(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356691 RCDQVSRNAIVDTI-PZJWPPBQSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1F)CC2=O 587465857 HZKXHOJUROQPEI-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C[C@@H]1CC=C(C)C1(C)C)CC2=O 587476714 ALLMCMSPFYBRME-GJZGRUSLSA-N 328.452 5.061 0 1 EKAF Cc1cccc2c1c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587514505 GMXWBFVFWGHENI-OAQYLSRUSA-N 345.442 5.072 0 1 EKAF Cc1ccccc1[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587526556 VRMKCXOPYAUFJM-XMMPIXPASA-N 348.486 5.781 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)NC1CCCCCCC1 587626695 HGZGQAOMBHJZRU-UHFFFAOYSA-N 332.875 5.281 0 1 EKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1 587865891 NVINAEKPDIAXGQ-UHFFFAOYSA-N 346.352 5.016 0 1 EKAF Cc1c(Cl)ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c12 587951053 IOJAVSKBPCEHER-ZDUSSCGKSA-N 336.822 5.818 0 1 EKAF C/C(=C\c1nc2ccc(Br)c(C)c2[nH]1)C1CCCCC1 587967448 KCNDHHZOYAYGLF-ZHACJKMWSA-N 333.273 5.617 0 1 EKAF CC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O 2356683090 GZJLLYHBALOKEX-UHFFFAOYSA-N 328.496 6.549 0 1 EKAF CC(=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1)CC(=O)CC(C)C 2356704610 AIFCJVAASWMODR-JOCHJYFZSA-N 342.479 5.597 0 1 EKAF CCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13835216 SECCYJNZKZGVKF-AANPDWTMSA-N 328.496 5.170 0 1 EKAF COc1ccc(O)c(CC2=C(C)CCC[C@]2(C)/C=C/C=C(C)C)c1 14687292 NCAUXCIBEDUXEZ-FXDWHETJSA-N 326.480 5.972 0 1 EKAF Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 26573831 UPYHVTCMTMZKAX-UHFFFAOYSA-N 333.341 5.084 0 1 EKAF CCCCc1oc2ccccc2c1C(=O)c1ccc2cc(O)ccc2c1 28758068 NRWWMTCLHQTNNG-UHFFFAOYSA-N 344.410 5.865 0 1 EKAF CCOCCCC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 29329047 USCUGSZHLNFMLD-FCHUYYIVSA-N 342.479 5.582 0 1 EKAF CC[C@@H](C)[C@H](c1ccc(O)cc1)[C@H](c1ccc(O)cc1)[C@H](C)CC 29406212 XFKQQYMPYXGQEK-AJAKECSLSA-N 326.480 6.057 0 1 EKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccco1 35271763 WOIFKNVJKSCYBO-UHFFFAOYSA-N 346.411 5.322 0 1 EKAF CC(=O)N1c2ccccc2-c2ccccc2[C@H]1c1c[nH]c2ccccc12 40975659 NBOZCYBVKZVEDE-QHCPKHFHSA-N 338.410 5.291 0 1 EKAF CN(Cc1cccc2ccccc12)[C@H](CF)c1ccc(C(C)(C)C)cc1 96930064 FOAWGXQIJRNWAL-HSZRJFAPSA-N 349.493 6.280 0 1 EKAF CC1(C)Oc2ccccc2C(c2ccc(O)cc2)=C1c1ccccc1 169345340 WSTCVRNPAYCMRK-UHFFFAOYSA-N 328.411 5.522 0 1 EKAF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)[C@]2(C)CCCC=C12 253704512 PFMMKGGPOLDMEE-YREWMZLJSA-N 344.583 6.507 0 1 EKAF Cc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Cl 587098120 RKAZSCBKUVZHDY-JTQLQIEISA-N 338.760 5.695 0 1 EKAF CC(C)(C)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208704 YDWQRXZTPDMWDI-CQSZACIVSA-N 341.454 5.597 0 1 EKAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1SC(F)F 587210670 VFQLXDCAWKNPNE-UHFFFAOYSA-N 343.398 5.324 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)CC3)c1 587366978 PELZRPGXYAMKCM-ZDUSSCGKSA-N 329.399 5.706 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C[C@H](C)CCC=C(C)C)CC2=O 587478535 GKEKABOOMPHTJS-HZPDHXFCSA-N 330.468 5.451 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C1CCC(CCC)CC1)CC2=O 587481605 MXWKGVDXGGLAMC-WSNMIEGMSA-N 330.468 5.285 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc3ccc(Cl)cc3[nH]2)N1 962952015 JRKCBMZDNDJBAZ-SPLOXXLWSA-N 349.865 5.316 0 1 EKAF Oc1cccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)c1 1772597753 JWPCMGUNIKYCSH-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF CCC1CCC(Nc2nc(-c3cccnc3)nc3ccccc23)CC1 1772645296 NSUPJZHPKLIZHG-UHFFFAOYSA-N 332.451 5.073 0 1 EKAF CCCCCC=CCC=CC[C@H](O)C=CC=CCC=CC(=O)OC 2356716616 SEXBBWYMBSFAPG-FQEVSTJZSA-N 332.484 5.052 0 1 EKAF Cc1cccc(-c2c[nH]c([C@H](O)c3ccc(-c4ccccc4)cc3)n2)c1 61908014 SFASHGBHZOALKJ-JOCHJYFZSA-N 340.426 5.134 0 3 EKAF CC(C)=CCC/C(C)=C/Cc1cc(O)c(Br)cc1O 1612855 IUFDABCKTYWJDR-KPKJPENVSA-N 325.246 5.096 0 1 EKAF COc1cc(Nc2cnc(-c3ccccc3)s2)ccc1-c1cnco1 12354249 GIRIKGXBRIWVOD-UHFFFAOYSA-N 349.415 5.217 0 1 EKAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)cc1 13782679 ZPNVRHQSDHVOOU-IECKCJDVSA-N 337.463 5.098 0 1 EKAF CC[C@H](C)c1cccc(NC2=NCCN2c2ccc([C@H](C)CC)cc2)c1 26819284 FYFHYQJTBQKHON-MSOLQXFVSA-N 349.522 6.002 0 1 EKAF CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 135611174 HYHNPUDYNQKSFL-YDDBCJSBSA-N 330.556 5.972 0 1 EKAF CCn1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21 299870338 WCOIJYPZVKLCBW-UHFFFAOYSA-N 347.443 5.037 0 1 EKAF C[C@@H]1c2ccccc2-c2[nH]c3ccccc3c(=Nc3ccc(O)cc3)c21 473151229 OKKLYPGPVHUJNC-CQSZACIVSA-N 338.410 5.238 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 586878467 IGOIOWFKKZBPMR-UHFFFAOYSA-N 338.332 5.623 0 1 EKAF CCCOc1cc2nc([C@H]3C[C@]3(C)CC)[nH]c2cc1Br 586892806 WTYKBOGIUXGSDY-HWPZZCPQSA-N 337.261 5.018 0 1 EKAF Cc1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587207066 QKFGYJNYZRJMLF-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1c(C2CC2)[nH]c2cc(F)ccc12 587636930 PXEQCZPSLCGSQP-MRXNPFEDSA-N 344.430 5.256 0 1 EKAF CSc1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1 587925142 OWOBJOKLZBWEFI-UHFFFAOYSA-N 349.883 5.915 0 1 EKAF COc1ccc2c(c1)C1(CCC(C)(c3ccccc3)CC1)N[C@@H]1CC[C@@H]21 962990996 CSEAFXYHZULBJY-BXMRJKBZSA-N 347.502 5.272 0 1 EKAF c1ccc(-c2ncnc3ccc(-c4cnc5ccccc5c4)cc23)cc1 1857581264 TUVDBYMABYAKCP-UHFFFAOYSA-N 333.394 5.512 0 1 EKAF COc1cc(C=CC(=O)O)cc(CC=C(C)CCC=C(C)C)c1OC 2356486206 IXDDIYJCTLFLLS-UHFFFAOYSA-N 344.451 5.037 0 1 EKAF FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1 1502393 UZNTWHBHIHKRLK-UHFFFAOYSA-N 339.320 5.311 0 1 EKAF Fc1ccc2nc3n(c2c1)[C@H](c1c(Cl)cccc1Cl)SC3 5544181 BBAZKTBJJLEVBN-HNNXBMFYSA-N 339.222 5.276 0 1 EKAF CCCCCC[C@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 5973151 DNTNRKCCPBOWEL-SFHVURJKSA-N 340.895 5.596 0 1 EKAF N[C@H](CCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 45336733 XYICJGKJKYWIMJ-OAHLLOKOSA-N 349.088 5.933 0 1 EKAF COc1cccc(Oc2ccc(-c3ccc(OC)c(OC)c3)cc2)c1 95578151 PTYUGYKRWCVCCO-UHFFFAOYSA-N 336.387 5.172 0 1 EKAF O=c1[nH]c(Nc2ccccc2)cc2cc(-c3ccccc3F)ccc12 96018442 DYJWMMKACDDSEZ-UHFFFAOYSA-N 330.362 5.078 0 1 EKAF CCCCCc1ccc(-[n+]2ccn(CCCC[Si](C)(C)C)c2)cc1 195386709 ZPAUUFUPDQLPAH-UHFFFAOYSA-N 343.611 5.616 0 1 EKAF CC(C)Oc1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586963926 SKAGQKOUAGYPBG-AWEZNQCLSA-N 326.465 5.345 0 1 EKAF CC(C)(Cl)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587008132 KQUJQCNKSWALIG-UHFFFAOYSA-N 327.840 5.314 0 1 EKAF Cc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050135 OSBROBZMKDTPBW-NXEZZACHSA-N 335.209 5.588 0 1 EKAF Cc1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c(C)n1 587123179 BXNUPSIKXDEJKA-VMPITWQZSA-N 349.381 5.357 0 1 EKAF CCCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208077 YNDJAIFXHZFYHE-UHFFFAOYSA-N 349.433 6.066 0 1 EKAF O=C1C[C@H](c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587506779 OXPNSKOCJHWSFT-QGZVFWFLSA-N 347.241 5.579 0 1 EKAF CCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1OC 587921235 SDVNFLIXWGQGOM-UHFFFAOYSA-N 345.851 5.538 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587932198 VNRBTGOFCQRRPQ-SGTLLEGYSA-N 347.245 5.324 0 1 EKAF Cc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1C 587949265 DGLVCDKUPZAECD-UHFFFAOYSA-N 328.415 5.563 0 1 EKAF Clc1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949538 WFKMNRAOKSOPCF-UHFFFAOYSA-N 334.806 5.599 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](Nc3ccccc3)CCC[C@@]21C 1857576567 YTXBHZJKDMAVIP-SAKKWRDPSA-N 341.583 7.146 0 1 EKAF c1ccc(Nc2cc3oc(-c4ccccc4)nc3c3ccccc23)cc1 1857637784 FRXPSDUZIFVBMQ-UHFFFAOYSA-N 336.394 6.392 0 1 EKAF c1ccc(CCc2ccccc2CSc2nc3ccccc3[nH]2)cc1 1857651625 OTIPYESZTVANHX-UHFFFAOYSA-N 344.483 5.640 0 1 EKAF CCC[C@H](C)CCCCCCCCCCCCOC[C@H](O)CO 15261824 PHKJZBSOHSECGN-VQTJNVASSA-N 330.553 5.084 0 1 EKAF biogenic CC1(C)CCc2c(c3ccccc3c3nc(-c4ccccc4)[nH]c23)O1 38541523 YYVDFEGFUUHVTR-UHFFFAOYSA-N 328.415 5.487 0 1 EKAF CCC[C@@H](C)COC(=O)c1cc(C)cc(C(=O)OC[C@H](C)CCC)c1 40874918 XLMZWFMWCSPEPP-HZPDHXFCSA-N 348.483 5.181 0 1 EKAF O=C1C[C@@H](C(F)(F)F)Cc2nc3ccccc3c(-c3ccccc3)c21 45497758 ATUJTESEFXAQPA-ZDUSSCGKSA-N 341.332 5.209 0 1 EKAF O=C1N[C@H](c2ccc(Cl)cc2)c2c(ccc3oc4ccccc4c23)O1 72172077 GABYMEQKATUXKS-LJQANCHMSA-N 349.773 5.431 0 1 EKAF Cc1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 144721480 WGVCIBKQEWDYCM-FQEVSTJZSA-N 340.344 5.441 0 1 EKAF C[C@@]12C=C(/C=C/c3ccccc3)[C@](C)(C1)[C@@H](c1ccccc1)CC2=O 169293367 LGLMIMABSGWABG-BXAAAMPESA-N 328.455 5.799 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccon1 253856471 ZHAAOWWJHBCHFK-CCMMITDPSA-N 341.495 5.082 0 1 EKAF c1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)cc1 299823681 SLPKDELMPLZOOE-UHFFFAOYSA-N 325.436 6.048 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888978 KJHLHJKHJMYDTM-RNODOKPDSA-N 333.460 5.743 0 1 EKAF CCCC(Br)(CCC)c1nc2ccc3ncccc3c2[nH]1 586970677 IISIAULFDKMECH-UHFFFAOYSA-N 346.272 5.302 0 1 EKAF CC1=Cc2nc3ccc(O)c4c3c(c2[C@@H](C)C1)-c1ccccc1C4=O 586990238 KCHCBPQRFFFEAB-LBPRGKRZSA-N 327.383 5.062 0 1 EKAF COc1cccc(-c2cc(-c3cnc[nH]3)nc3c2oc2ccccc23)c1 587362520 JEZKBBAUOTYMLO-UHFFFAOYSA-N 341.370 5.047 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)CC3)c1 587366977 PELZRPGXYAMKCM-CYBMUJFWSA-N 329.399 5.706 0 1 EKAF COc1cc2c3c(c1)OC1(CCCCCCCCCCC1)[C@@H](C2)C3=O 587447330 QFEOWQAURYRYHJ-SFHVURJKSA-N 342.479 5.486 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(C)C)CC1)CC2=O 587478337 FRUUUOGTSHMCJJ-BTYIYWSLSA-N 330.468 5.285 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccncn3)c(-c3ccc(F)cc3)[nH]c12 587624674 OVBBFRIVQXSVRW-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)s1 587634297 XXKGJBZVSHDWGE-UHFFFAOYSA-N 327.302 5.089 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CC(=O)O)c2c1 587642213 QVUCPMMNDZIUDV-LLVKDONJSA-N 342.826 5.024 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 587780157 LZWYAVVFMAIJBF-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356582718 USBYWNBXXQAKTB-HRWGNQOISA-N 345.571 5.165 0 1 EKAF O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C1CCCCC1 1645264 HKNVYQBSHSCWCH-UHFFFAOYSA-N 346.474 5.074 0 1 EKAF CC1=Nc2cc(C(=O)NC(C)C)ccc2Sc2c(C)ccc(C)c21 4148996 UKZBFEDVUHSJNQ-UHFFFAOYSA-N 338.476 5.047 0 1 EKAF O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12 13589071 OMMBSCFKJKBZMH-UHFFFAOYSA-N 346.213 5.033 0 1 EKAF CCC1=NCc2ccccc2[C@@H](c2ccccc2)N1Cc1ccccc1 13600370 DTEPPTMQABWGJS-XMMPIXPASA-N 340.470 5.600 0 1 EKAF CCC(CC)Oc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C 14975040 NOVMRCQAXSODAQ-UHFFFAOYSA-N 326.484 5.935 0 1 EKAF CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]21C 27855784 QFFCYTLOTYIJMR-NPDDRXJXSA-N 326.480 5.178 0 1 EKAF CC1=C(/C=C/c2cc(NC3CCCCC3)nc(N)n2)C(C)(C)CCC1 28712593 NJLDEOKPDJOOLF-VAWYXSNFSA-N 340.515 5.343 0 1 EKAF COc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1 166675497 OGJQRNFNKKJTDD-VGOFMYFVSA-N 326.399 5.409 0 1 EKAF Cc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Cl 587027739 INGSOQPCIYKALO-UHFFFAOYSA-N 325.824 5.315 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2cnc3ccccc3c2[nH]1 587170530 CAXXTSZQSCSGHF-GFCCVEGCSA-N 337.423 5.146 0 1 EKAF FC(F)(F)c1ccc(/C=C\c2cc3c4c(cccc4n2)CC3)cc1 587210052 CCQPEKIMSAULNT-WDZFZDKYSA-N 325.333 5.523 0 1 EKAF C[C@@H]1CCCCCCCCCCCCc2nc3cccc4c3c(c21)CC4 587215196 IZPCUQBAQORVDQ-LJQANCHMSA-N 349.562 7.284 0 1 EKAF Cc1nc(Nc2ccccc2)sc1-c1cc2c3c(cccc3n1)CC2 587358996 GHEMTUZXVNWBRY-UHFFFAOYSA-N 343.455 5.509 0 1 EKAF CC[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366770 MRTXHEONFHINGV-ZDUSSCGKSA-N 329.399 5.706 0 1 EKAF C[C@@H]1c2ccccc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524190 LABNZXWJSGRGRH-CMJOXMDJSA-N 332.443 5.019 0 1 EKAF CC(C)c1c(-c2cccc(Br)c2)[nH]c2cc(F)ccc12 587633039 WZUBALUJPHZENK-UHFFFAOYSA-N 332.216 5.860 0 1 EKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1c(C2CC2)[nH]c2cccc(F)c12 587636849 LULIICVRNPDTNU-OAHLLOKOSA-N 344.430 5.256 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccccc3Cl)c2c1 587640249 GPFJAYXQRZJOFQ-LBPRGKRZSA-N 325.839 5.874 0 1 EKAF Cc1c(F)ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956211 OGYVBLOFBFSVMX-GOSISDBHSA-N 330.406 5.385 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](C)[C@]12C 2356495262 LNFUVCZSCYWOTA-CALQCPNCSA-N 344.451 5.167 0 1 EKAF CC(=O)O[C@@H]1OC=C2CC[C@H](C(C)=C3CCCC3(C)C)C(C)(C)[C@@H]21 2356781446 IMIAJJXGLPJMII-QYZOEREBSA-N 332.484 5.369 0 1 EKAF CC(C)(C)c1cc(-c2cn3ccsc3n2)cc2c1OCC2(C)C 22609 XRSLWJGSCSCHSS-UHFFFAOYSA-N 326.465 5.030 0 1 EKAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4946276 KMGUZSMFRZSYPE-SRGSESDDSA-N 342.523 5.216 0 1 EKAF COC1(c2ccc(OCc3ccc4ccccc4c3)cc2)CCOCC1 13725426 DJPDYAKQXYDSIT-UHFFFAOYSA-N 348.442 5.071 0 1 EKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2[nH]c2ccc(C=O)cc23)O1 14611189 NOHLJRMJSLRNGL-QHCPKHFHSA-N 345.442 6.044 0 1 EKAF biogenic C=C1OC(=O)C(CCCCCC/C=C\C/C=C\C/C=C\CC)=C1OC 15274061 UACVRGSPUQDTJA-AGRJPVHOSA-N 344.495 6.157 0 1 EKAF Cc1ccc(Nn2c(-c3ccccc3)c(C)[nH]c2=S)cc1Cl 33493421 LVIOLGITSFAUGZ-UHFFFAOYSA-N 329.856 5.358 0 1 EKAF N=C1CCCCCCCCCCCN1[C@H]1CCC[C@H]1c1ccccc1 36093294 PHSYVYPNRCSHQN-VXKWHMMOSA-N 340.555 6.517 0 1 EKAF C1=C(c2c[nH]c3ccccc23)CCN(CCc2coc3ccccc23)C1 45372242 XADLWMQBIFTFBT-UHFFFAOYSA-N 342.442 5.246 0 1 EKAF Cc1ccc(C(C)C)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 84741985 AZARWECNNYYDFC-UHFFFAOYSA-N 343.470 5.967 0 1 EKAF Fc1cccc(F)c1CSc1nc2ccc(F)c(F)c2s1 103186613 QUBSHEYMUNJAEN-UHFFFAOYSA-N 329.343 5.145 0 1 EKAF Cc1ccc2c(c1)CCN(C)[C@H]2c1sc2ccccc2c1Cl 144709515 VJDGPJQWEQSJGY-GOSISDBHSA-N 327.880 5.440 0 1 EKAF CCCCCCOc1ccccc1[C@H]1CC(=O)c2ccc(O)cc2O1 299837956 PSXBNCGUUKAKFB-OAQYLSRUSA-N 340.419 5.058 0 1 EKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ccccc4[nH]3)c21 587031439 RWGUREMJQGTHKE-CYBMUJFWSA-N 333.460 5.522 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1CC4)-c1ccccc1C2=O 587101157 RJACUZUATBLELJ-UHFFFAOYSA-N 347.417 5.520 0 1 EKAF Cc1cnc(Cl)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c12 587163897 NGZJGGNSVGMVFL-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF O=C1c2ccccc2-c2cc(C3CCCCCC3)nc3cccc1c23 587208676 XQIFXTCLTPFLOG-UHFFFAOYSA-N 327.427 5.884 0 1 EKAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629734 ZONKYDFCWPNRDL-UHFFFAOYSA-N 339.744 5.580 0 1 EKAF CC(C)=CCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813912 QNOGVVZIYKBLQL-PXAZEXFGSA-N 340.280 5.084 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@H](c1cc(-c3ccccc3)co1)NCC2 963125266 SYXKPMNISUQEIQ-IBGZPJMESA-N 344.241 5.489 0 1 EKAF Nc1cc(-c2ccc(C(F)(F)F)cc2)c2oc(-c3ccco3)nc2c1 1857773713 WXWUARCFGHCJPG-UHFFFAOYSA-N 344.292 5.356 0 1 EKAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 2356641682 YUAQBFTWNHXSHR-OITIAJGXSA-N 330.468 5.094 0 1 EKAF CC(=O)OC[C@@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(O)cc12 38317854 IUJFQZBWGCCVPO-IFMALSPDSA-N 344.495 5.089 0 1 EKAF biogenic CCC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1ccccc1S2 40720171 QKEBFJXALZOKOL-SXGWCWSVSA-N 337.488 5.127 0 1 EKAF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(C(C)C)cc1)[C@@H](C)C2 40934194 MSNFOTRDVKJSKL-JKSUJKDBSA-N 339.479 5.339 0 1 EKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2-c2nc(C)c(C)o2)c1 82167401 KQKAEYLYWATRED-UHFFFAOYSA-N 348.450 5.078 0 1 EKAF c1ccc(-c2cc(OCCCN3CCCCC3)c3ccccc3n2)cc1 208043340 PHTJSSHYKLQRIY-UHFFFAOYSA-N 346.474 5.157 0 1 EKAF Oc1ccccc1-c1cc(-c2cccs2)cc(-c2ccccc2O)n1 473135690 RVPDAEDVZQBNNZ-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Cc1cc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c(C)n1 587162513 CIPLRILANXWRIO-LFIBNONCSA-N 349.434 5.364 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccco3)cc1)CC2=O 587486339 XIWOGAZBUHUHKJ-OAQYLSRUSA-N 348.398 5.311 0 1 EKAF CC(C)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812576 JFHRHSUSRFDYLB-PXAZEXFGSA-N 342.296 5.020 0 1 EKAF Cc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1C 587920568 JQOGHFHNZFNOQX-UHFFFAOYSA-N 334.366 5.508 0 1 EKAF Cc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772638281 NSTVFEQZBIEFLA-UHFFFAOYSA-N 348.467 5.822 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccco3)n2)cc1 1857618267 CEKRNYZEHQAAGA-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF FC(F)(F)c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1 6584553 ZANNGVLYTWCJAM-UHFFFAOYSA-N 326.321 5.326 0 1 EKAF Cc1cccc(C)c1Nc1oc(-c2ccccc2)nc1-c1ccccc1 8690116 RJHDKJVBKIXCLW-UHFFFAOYSA-N 340.426 6.369 0 1 EKAF C[C@@H]1CC=C2[C@H](CC[C@@H](O)C2(C)C)[C@@]1(C)Cc1cc2ccccc2[nH]1 14613149 NWZFBXAZCWQDKL-FDRNHLPGSA-N 337.507 5.480 0 1 EKAF biogenic CCCC1(CCC)CCC2(CCN(CCCN3CCCC3)C2)CC1 26752356 UUWXJRQJKMKXEE-UHFFFAOYSA-N 334.592 5.325 0 1 EKAF Cc1ccc(C(=O)Oc2ccc(C)cc2C(=O)c2ccc(C)cc2)cc1 28395619 QVZAYUPDQCYYHT-UHFFFAOYSA-N 344.410 5.062 0 1 EKAF Cc1ccc(-c2c/c(=N\c3ccc(O)cc3)c3ccccc3[nH]2)cc1 28642518 KOSXBKZLJOZVKT-UHFFFAOYSA-N 326.399 5.081 0 1 EKAF CC[C@H](C)CCCCC/C=C/[C@H](C)[C@H](O)CCCCCC(=O)O 85844000 KUETZEFEIMFMOF-QYZNPUPPSA-N 326.521 5.571 0 1 EKAF Nc1ncc(-c2ccsc2)c2cc(-c3csc4cnccc34)oc12 96282222 HASWSCWRIWXJMP-UHFFFAOYSA-N 349.440 5.415 0 1 EKAF C/C1=C/[C@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CC/C(C)=C/CC1 169334038 IZTPZZVRYDCHRL-IPDDETRZSA-N 342.479 5.656 0 1 EKAF COc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cn1 587074225 TXTGJZNPIRBMOQ-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Cc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2n1 587164100 NWCICMFQUZXKBD-RVDMUPIBSA-N 335.407 5.056 0 1 EKAF CC(C)c1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205473 AWYBRBKXXCYBOS-UHFFFAOYSA-N 349.433 6.237 0 1 EKAF C[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587208406 VNPPZZFHHJTPAG-AWEZNQCLSA-N 347.417 5.773 0 1 EKAF CCCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522516 IMGHNFNCPJJWGX-QHCPKHFHSA-N 334.459 5.399 0 1 EKAF CCOc1ccccc1[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962662878 GHHFNQODOZFLEN-XMMPIXPASA-N 343.470 5.162 0 1 EKAF Cc1cc([C@@H]2NCCc3c2sc(C)c3C)c(F)cc1C(F)(F)F 963011332 PGSICILWJYTQDP-HNNXBMFYSA-N 343.389 5.066 0 1 EKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(C1CCCCC1)C1CCC1 963112258 XGHRWLDFGJTPTE-IFMALSPDSA-N 327.487 5.422 0 1 EKAF CC(C=CC1=C(C)CCCC1(C)C)=CC=Cc1ccc(C(=O)O)cc1 2356354326 YRNAHKPMDMVFMV-UHFFFAOYSA-N 336.475 6.427 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(O)cc(C)cc2O1 2356423370 WQOSNKWCIQZRGH-JOCHJYFZSA-N 326.480 6.338 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 5978524 IZVYKSOTNOCYLS-KYJSFNMBSA-N 331.843 5.230 0 3 EKAF aggregator C[C@@H]1CC(=O)[C@@H]2C(=Nc3ccccc3S[C@@H]2c2ccc(F)cc2)C1 18067977 IEBXVUYCNGUPMQ-OCCQLPPTSA-N 339.435 5.360 0 1 EKAF C[C@H]1[C@@H]2Cc3ccc(Cl)cc3[C@@]1(C)CCN2Cc1ccccc1 26820543 SFRKZPDHORQPCB-JHVJFLLYSA-N 325.883 5.064 0 1 EKAF C[C@H](CNc1cc(Oc2cccc(Cl)c2)ncn1)c1ccccc1 82068414 RLHWJJIVHPSSPE-CQSZACIVSA-N 339.826 5.138 0 1 EKAF FC(F)(F)c1cccc(-c2nnc(SCc3ccccc3)o2)c1 95755260 HWTNUNUVTVTSCW-UHFFFAOYSA-N 336.338 5.048 0 1 EKAF Oc1ccc(/C=C2\C3C[C@H]4C[C@H](C3)CC2(c2ccc(O)cc2)C4)cc1 101029265 IKOQXCJPDQDZTE-PHFUHVSBSA-N 332.443 5.259 0 1 EKAF C[C@H]1CC2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2=C(O)O1 101816722 GUCQPLYCDVLKKP-BBATYDOGSA-N 340.810 5.158 0 1 EKAF O=C(NCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 103231521 IEVOWGKQHLFEHH-UHFFFAOYSA-N 326.399 5.218 0 1 EKAF C/C=C/c1ccc(Oc2ccnc3cc(Cl)ccc23)c(OC)c1 103271331 INMITJQSAMFEQV-ONEGZZNKSA-N 325.795 5.722 0 1 EKAF CSc1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586971197 OQZXOLPLIBCIPL-UHFFFAOYSA-N 328.506 5.069 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cc(F)cc(F)c4[nH]3)c(C)s2)cc1 587013800 YQCIZMQKPVDFJC-UHFFFAOYSA-N 341.386 5.248 0 1 EKAF FC(F)(F)Sc1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587034339 SSPHRNKYEQKKJF-UHFFFAOYSA-N 340.395 5.392 0 1 EKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 587070741 WEVUPPHGXXWSGI-CYBMUJFWSA-N 348.833 5.746 0 1 EKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152387 MHOLXUDNDHKBTI-ZIAGYGMSSA-N 326.390 5.410 0 1 EKAF FC(F)(F)Sc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587210720 WROMKJZWDKAJTH-UHFFFAOYSA-N 331.362 5.612 0 1 EKAF Cc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587499939 KGBKOMWRPGNTLI-LJQANCHMSA-N 326.823 5.234 0 1 EKAF O=C1C[C@]2(CCCC[C@@H]2c2ccoc2)Oc2c1ccc1c2CCCC1 587531869 IKNRXTCQVXHZMO-KNQAVFIVSA-N 336.431 5.220 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccco3)c2c1 587641602 NKJZUHFKMKMLAF-SNVBAGLBSA-N 335.325 5.524 0 1 EKAF CCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1F 587920541 JFILMVJGGSHKIB-UHFFFAOYSA-N 327.424 5.632 0 1 EKAF Oc1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949623 JDVGEQWHVDOUGV-YPKPFQOOSA-N 328.371 5.231 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(F)c(F)cc1Cl 963221857 AYWVGWYVTLTFAX-XCLFUZPHSA-N 349.852 5.538 0 1 EKAF C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356315657 OYOVFIJVSKWVLT-JDAKRHAISA-N 338.535 5.813 0 1 EKAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC=C(C)[C@H]21 2356577376 BYNSHSWWZXSBTC-LJUYRKFLSA-N 346.511 5.060 0 1 EKAF CC1=CCC[C@@]2(C)C=Cc3c(cc4c(c3CC(C)=CCC1)OCO4)O2 2356596421 KUXTYWCKIQNOGF-QFIPXVFZSA-N 338.447 5.589 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@H]1CC3(C)[C@H]4CC12C[C@H]43 2356627841 YGSPCCAAZJHJAH-BWRTUDNESA-N 330.512 5.208 0 1 EKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc(OC)cc32)cc1 13829844 CUVDZKHXIYZNDB-NFBKMPQASA-N 346.426 5.360 0 1 EKAF CC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(=N)N 38783550 ZEAAMJFQDIQIDJ-IWGRKNQJSA-N 331.548 5.567 0 1 EKAF O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(Cl)c1 45255021 WSVAPEOFNLVRRJ-UHFFFAOYSA-N 343.213 5.308 0 1 EKAF COc1cc2c(cc1Cl)CCN=C2c1ccc(Cl)c(Cl)c1 49053006 PKGYSFSWUWIJMO-UHFFFAOYSA-N 340.637 5.049 0 1 EKAF C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)c1ccccc1n3C 49808328 XEXXQSSYUGVNNQ-INIZCTEOSA-N 342.442 5.245 0 1 EKAF COc1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107284 DMMQLOOWARMXLU-JOCHJYFZSA-N 339.479 5.024 0 1 EKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC(F)F 72107415 XYGBUNZVYHRDQT-QGAUHXJISA-N 348.477 6.082 0 1 EKAF COc1cccc(OC)c1-c1csc(Nc2ccc(Cl)cc2)n1 103276453 QWPYAZUQPBGXSU-UHFFFAOYSA-N 346.839 5.224 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586878568 KBIAZZSKKZZAIF-UHFFFAOYSA-N 341.458 5.898 0 1 EKAF Clc1cccc(-c2nc(-c3nc4ccccc4[nH]3)cs2)c1Cl 587015204 GJNGHPGXOGJKEF-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF COc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Cl 587027985 KQAUTDOTGTYGSC-UHFFFAOYSA-N 341.823 5.015 0 1 EKAF Cc1ccsc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102961 UFYBEWLWWXYTKV-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF FC(F)(F)c1ccccc1Cc1nc2ccc3c(c2[nH]1)CCCC3 587107369 JFJRLZUXMBNXDK-UHFFFAOYSA-N 330.353 5.051 0 1 EKAF Oc1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587163508 KKLAWYRRSVZRML-KAMYIIQDSA-N 336.391 5.058 0 1 EKAF COc1cccc(-c2cc([C@H](N)C(C)C)nc3c2oc2ccccc23)c1 587363525 SSZXUMHSBLRFDR-HXUWFJFHSA-N 346.430 5.312 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCC1)CC2=O 587490766 URNVGKCTBJUCSL-QFIPXVFZSA-N 336.431 5.006 0 1 EKAF O=C1C[C@@H](c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587500112 LUNQOTSPXNXKPF-SFHVURJKSA-N 347.241 5.579 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)s1 587629005 COJWDSRLGLFDEQ-UHFFFAOYSA-N 343.757 5.499 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587932746 ZDZPBHBREBXRBU-UGSOOPFHSA-N 346.352 5.036 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587952076 LRRVZNJKDXEGNO-JKOKRWQUSA-N 341.377 5.023 0 1 EKAF O=C(Nc1nnc(C2CCCCC2)o1)c1cccc(-c2ccccc2)c1 1857556706 JQQMJEZLFVAZMY-UHFFFAOYSA-N 347.418 5.037 0 1 EKAF CC1CCN(CCCCCCOc2ccc3ccccc3c2)CC1 1857638577 KTDLFZPFESXCDQ-UHFFFAOYSA-N 325.496 5.511 0 1 EKAF Cc1ccnc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 13141368 BPDGRCDXXUAMES-UHFFFAOYSA-N 343.455 5.924 0 1 EKAF C/C(=C\Cc1cc(O)c(C)cc1O)CC/C=C(\C)CC(=O)CC(C)C 14593875 ZCOKHQKRINRIKC-AAZCYQLISA-N 344.495 5.627 0 1 EKAF CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 27429172 JEAJDLQMOILVMU-UHFFFAOYSA-N 328.242 5.743 0 1 EKAF COc1ccc2oc(N[C@H](Cc3ccccc3)c3ccccc3)nc2c1 28004689 WGCFWJHHOZDKML-LJQANCHMSA-N 344.414 5.232 0 1 EKAF C[C@H](Nc1cccc(NCCOc2ccccc2)c1)c1ccccc1 28362587 XPJVKFRQKISVNA-SFHVURJKSA-N 332.447 5.351 0 1 EKAF Cc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1 28526347 PDUWWBSLDMNREB-UHFFFAOYSA-N 343.249 5.287 0 1 EKAF Clc1ccc(N2CCN(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 29132532 SLGWPIZHOAGQGG-QFIPXVFZSA-N 348.877 5.361 0 1 EKAF O=C(O)c1cc(-c2ccccc2)nc2cc(Nc3ccccc3)ccc12 103292403 KYBMUMRIWSMAMF-UHFFFAOYSA-N 340.382 5.344 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1cccs1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169690670 PZOQTZIHCOGITR-RBUKOAKNSA-N 338.476 5.301 0 1 EKAF Clc1cccc(Nc2ncc3c(n2)-c2ccccc2SC3)c1 200309341 JMXXNSLGFHPGHX-UHFFFAOYSA-N 325.824 5.146 0 1 EKAF Clc1ccccc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1 225188767 HHYVRCFYNNEPRF-UHFFFAOYSA-N 342.870 5.053 0 1 EKAF Cc1ccc2c3c(cc(/C=C/c4ccccn4)nc13)-c1ccccc1C2=O 587096177 FAJOHZJPINFDAY-ZHACJKMWSA-N 348.405 5.320 0 1 EKAF C[C@@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106572 JOZUEEIXTYLCQI-HNNXBMFYSA-N 335.406 5.598 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)c(Cl)c1)CC2=O 587459030 BBZXEVBOHRLSCK-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CC(C)COC1=C[C@@]2(CCC1)CC(=O)c1ccc3c(c1O2)CCCC3 587520419 ATSSHCOFRAYWLG-QFIPXVFZSA-N 340.463 5.010 0 1 EKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587520632 AZFOSELWIINKMZ-TUBQSGQPSA-N 326.480 5.362 0 1 EKAF CCc1[nH]c2c(C)cc(Cl)cc2c1-c1ccccc1Br 587623768 OYZUBNNRDWTZSR-UHFFFAOYSA-N 348.671 6.122 0 1 EKAF Fc1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1Cl 587960858 GCRKQYKBNPDEQH-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccc(C(C)(C)C)cc1 653823822 JYWIZAGZGTVNFE-NYHFZMIOSA-N 333.475 5.755 0 1 EKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC)c(C)c1 1857558911 DLUIRPSEYQLDTC-UHFFFAOYSA-N 325.496 5.937 0 1 EKAF CCCC=CCC=CCCCCCCCCCc1cc(O)ccc1O 2356382398 ZFBPWHPPYONXTQ-UHFFFAOYSA-N 344.539 7.064 0 1 EKAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H](C(C)C)CCC(C)=CCC1 2356410348 IZTPZZVRYDCHRL-RTWAWAEBSA-N 342.479 5.656 0 1 EKAF CCCCCC=CCCCCCCC=CC=CC(=O)NCCC(C)C 2356493906 KEKYDAUAAYJDRA-UHFFFAOYSA-N 347.587 6.738 0 1 EKAF Cc1cc(C)c([C@H](OCCCNC(C)C)c2ccccc2)c(C)c1 7078323 RUWJWJOWWHKQPF-JOCHJYFZSA-N 325.496 5.106 0 3 EKAF C/C=C(\C)C(=O)N1c2ccccc2C[C@H]1c1c(C)[nH]c2ccccc12 1623003 ADJKOMYUQDNKDG-REOQHGFQSA-N 330.431 5.073 0 1 EKAF c1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1 1637066 RUTBNKNZOYSBDT-UHFFFAOYSA-N 338.522 6.796 0 1 EKAF CC[C@@H](c1cc(O)ccc1Cl)[C@@H](CC)c1cc(O)ccc1Cl 27650072 RAOOGWHROGLOTA-ZIAGYGMSSA-N 339.262 6.092 0 1 EKAF Cc1nnc(-c2cccc(-c3ccccc3)c2)n1-c1ccccc1F 66101993 GCELIEAVYAFSMI-UHFFFAOYSA-N 329.378 5.049 0 1 EKAF CCCCCCC1=C(c2ccccc2)[C@]2(OCCCC)CCC[C@@H]2C1 71316556 UYFAJLJRTFUEAR-VWNXMTODSA-N 340.551 7.170 0 1 EKAF Cn1c2c(c3ccccc31)[C@H]1CC[C@H](C2)N1CCCCc1ccccc1 100753704 WSPJJPNQUVUIAC-DENIHFKCSA-N 344.502 5.263 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@H]2c2ccc3c(c2)[C@@H]2CC[C@@H]3C2)cc1 100791265 JXPKDVUVFSQUEH-YAKVFXAGSA-N 332.443 5.499 0 1 EKAF CCCCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)OCC 238734607 SAMZIIYZCOLQTD-IZOJISPRSA-N 348.527 5.666 0 1 EKAF CCCN=c1[nH]cc(-c2ccncc2-c2ccccc2C(C)C)s1 473114058 ILRKBLQVNQUEQM-UHFFFAOYSA-N 337.492 5.239 0 1 EKAF Oc1ccccc1-c1cc(-c2cccnc2)c2c(n1)-c1ccccc1C2 473248652 POGCMZCWYLRSFH-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586882917 CWCMBTDHHFKBEG-UHFFFAOYSA-N 342.320 5.590 0 1 EKAF Clc1ccc(-c2nc(-c3nc4cc(Cl)ncc4[nH]3)cs2)cc1 587015960 LHUNMRIGZBHPLB-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Fc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587145267 KCCXKXUXFFJRLM-UHFFFAOYSA-N 338.382 5.659 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(F)c(C)c2[nH]1 587240710 ICEOEQSYZGKBFF-UHFFFAOYSA-N 347.393 5.430 0 1 EKAF C[C@@]1(c2cc3cc(F)ccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587511016 ZTSBSWLHACLZCG-QFIPXVFZSA-N 349.405 5.066 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2=CCCCC2)N1 587817263 BAMVIXUXYNXWGB-GTNSWQLSSA-N 338.264 5.054 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCCCCC2)N1 587819469 IHHIASSUNPALNC-APPDUMDISA-N 340.280 5.134 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C=C2CCCCC2)N1 587820952 RPNODTPVMMKGBC-APPDUMDISA-N 338.264 5.054 0 1 EKAF CC1=C(CC[C@@]2(C)NCCc3c2c(C(C)C)nn3C)C(C)(C)CCC1 962917687 GFINXMGKOJVZCR-JOCHJYFZSA-N 343.559 5.211 0 1 EKAF CC1=NCCC1=CCCCCCCCCCCC=CCCCC(C)C 2356607820 SHGBXBWAMDQWFA-UHFFFAOYSA-N 345.615 8.061 0 1 EKAF COc1cc(O)cc(C=C2[C@H](C)CC[C@H]3C(C)(C)CCC[C@]23C)c1O 14714339 LDISHKNDKIDRQP-YFYZNPQRSA-N 344.495 5.752 0 1 EKAF biogenic CCc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)o1 28106427 GQQXYMCZOJCMTQ-UHFFFAOYSA-N 338.407 5.062 0 1 EKAF COc1ccc(Cc2oc3c(Cl)cc(Cl)c(O)c3c2C)cc1 28217938 LLOMWHDIOREQTQ-UHFFFAOYSA-N 337.202 5.353 0 1 EKAF CC[C@H](C)[C@H](c1cccc(O)c1)[C@H](c1cccc(O)c1)[C@@H](C)CC 29407984 ZIXUNTQIAANKPI-WWLNLUSPSA-N 326.480 6.057 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(-c3ccccc3)no1)O2 72113587 PHBWTVHFQHQPIU-JOCHJYFZSA-N 349.430 5.213 0 1 EKAF C[C@@H](Nc1cc(-c2ccccc2C(F)(F)F)ncn1)c1ccccc1 82161127 JIDJCIPWEHCTEQ-CYBMUJFWSA-N 343.352 5.336 0 1 EKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccncc1 96940158 PKPPOHCJCZCXSG-UHFFFAOYSA-N 327.383 5.139 0 1 EKAF O=C(O)c1cc(Cl)cc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c12 113982037 OIBOLCUBBRZPIV-UHFFFAOYSA-N 348.789 5.249 0 1 EKAF CC(=O)CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 238769552 CIIWZLVTUAUIGG-XOFRFHDUSA-N 348.527 5.635 0 1 EKAF Cc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587049580 MXOJRAJBWUEVED-RYUDHWBXSA-N 331.246 5.758 0 1 EKAF Cc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1C 587063058 MCWNTFXDACEGTO-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF Cc1ccc2c3c(cc([C@H]4C[C@H]5CC[C@@H]4C5)nc13)-c1ccccc1C2=O 587100071 ZMKFIWNHCVSOIN-KHYOSLBOSA-N 339.438 5.658 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccnc(Cl)c3)nc3cccc1c23 587104867 XYWXAMINGICALR-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF Cc1c(Cl)ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108624 GGSNHQOQNOTHML-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF Cc1cc(C)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145896 UZHJGXHENRRKNX-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF O=C(c1c(F)ccc(Cl)c1F)c1coc2ccc(Cl)cc12 587278226 KFHNRYFCUYZVKP-UHFFFAOYSA-N 327.113 5.249 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccccc1C)O2 587404234 CSDXXOALAVVSGS-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF Cc1cccc2c1[C@H](C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522229 FLDCDSUZHCRAFW-IQMFZBJNSA-N 332.443 5.242 0 1 EKAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587532263 KHAWLJDVYJMHDF-QHCPKHFHSA-N 346.426 5.501 0 1 EKAF CCCCC/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821236 UABBBZKPRZUKEH-IMKMYNEFSA-N 340.280 5.300 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1CCc1cnc2ccccc2c1 963236640 GJPBQYJUXWHOFE-HOYKHHGWSA-N 344.502 5.565 0 1 EKAF CCCCCC=CCC=CC=C[C@H](O)CC=CCCCC(=O)OCC 2356381593 SAMZIIYZCOLQTD-NRFANRHFSA-N 348.527 5.666 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@H](C)CC=Cc1ccoc1 2356507153 PRWULBSJBJQBSA-QGZVFWFLSA-N 326.436 5.840 0 1 EKAF CSc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12 13553458 RJBIUSLAWHJLED-UHFFFAOYSA-N 334.271 6.239 0 1 EKAF c1ccc(CCCCC[n+]2cccc3sc4ccccc4c32)cc1 28642448 BRURJARJWAABRN-UHFFFAOYSA-N 332.492 5.755 0 1 EKAF CCC(CC)n1c(=S)[nH]c2ccc(-c3ccc(F)c(Cl)c3)cc21 28869005 JLDPVBOKSKHILH-UHFFFAOYSA-N 348.874 6.519 0 1 EKAF Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(-c2ccccc2)cc1 40392886 HJDSFPOLVAXQEA-PDGQHHTCSA-N 345.423 5.388 0 1 EKAF Cc1ccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40975715 GFEWCURVFSNXHL-JOCHJYFZSA-N 345.467 6.059 0 1 EKAF C=C(Cl)/C(=C\Br)CCC(Br)=C(C)C 44360382 HADZLPWHSAKXHN-TWGQIWQCSA-N 328.475 5.487 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 100829625 FCFUSYHGZLEMJM-GMAVHMNDSA-N 346.511 5.123 0 1 EKAF endogenous,in-man O=c1ccc([C@@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]3CC[C@H]3CCCC[C@H]32)co1 263636621 HAJGVUYNXHQLER-DRYFRRCTSA-N 326.480 5.376 0 1 EKAF Cc1ccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299834732 CEILENYWVBYUHW-GOSISDBHSA-N 336.262 5.031 0 1 EKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc1C 586989895 AHGRPXLKERJGQS-UHFFFAOYSA-N 341.366 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1cccs1)CC2=O 587493349 GEHHZOXYUNPQKB-FQEVSTJZSA-N 344.476 5.313 0 1 EKAF CC[C@H](C)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522745 GUZLYXCXYQVMOM-LYLBAIIYSA-N 326.480 5.506 0 1 EKAF Cc1[nH]c2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524596 KVDWSAHQWJLCOP-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@H](c1cc(-c3ccccc3)co1)NCC2 963125267 SYXKPMNISUQEIQ-LJQANCHMSA-N 344.241 5.489 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(C)cc(O)c2O1 2356792314 JOWDYSMEPOQVNZ-QFIPXVFZSA-N 326.480 6.338 0 1 EKAF O=c1cc(/C=C/c2ccccc2)oc2cccc(Cc3ccccc3)c12 49807898 YWSBUVPWCOWDGR-CCEZHUSRSA-N 338.406 5.554 0 1 EKAF CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c21 96906001 KFTDXCOKDRDGNQ-UHFFFAOYSA-N 343.470 6.194 0 1 EKAF CC(C)=CCC/C(C)=C/CNC(=S)NC/C=C(\C)CCC=C(C)C 299827513 GCEXTBLRBGAHKF-IWGRKNQJSA-N 348.600 5.836 0 1 EKAF CC(C)C[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990990 POBTZRRXWVJDSM-ZDUSSCGKSA-N 343.426 5.228 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)C)CCC4)-c1ccccc1C2=O 587099996 CJFAXNXBWULDMB-OAHLLOKOSA-N 341.454 5.831 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(F)c3)cc1)O2 587385309 RSGBFQCETYWVLJ-NRFANRHFSA-N 347.389 5.090 0 1 EKAF CC[C@@]1(Cc2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525858 SGINIZUBXXVSMZ-HSZRJFAPSA-N 334.459 5.231 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(CC(=O)O)c2c1 587643803 XDNLYIQGNXBZFR-NSHDSACASA-N 343.373 5.254 0 1 EKAF Fc1c([C@H]2NCCc3cccc(-c4ccccc4)c32)ccc2[nH]ccc12 962667779 MDRJCYCVEJMSTO-HSZRJFAPSA-N 342.417 5.209 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1csc(Cl)c1Cl 963222727 CHHRRRVPWAWIOT-ZBEGNZNMSA-N 340.319 5.801 0 1 EKAF CCCCCC=CCC=CCC=CCC=CCCCCOC(C)=O 2356317125 RKNFFTAYULCRTQ-UHFFFAOYSA-N 332.528 6.695 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356614584 ABMHRZWSHXQICN-XWSHUIEDSA-N 348.527 5.046 0 1 EKAF O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 13729696 WRMBYEARGLMSPC-UHFFFAOYSA-N 347.414 5.049 0 1 EKAF Oc1cccc(-c2ccc(-c3ccc(O)c(-c4ccccc4)c3)s2)c1 45285155 LNSADGPUUITYHY-UHFFFAOYSA-N 344.435 6.160 0 1 EKAF CCOc1ccc(-c2cc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162271 PTWZHLQEPJYFED-NVXWUHKLSA-N 339.483 5.169 0 1 EKAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H](C)CC 82186966 FBBGSQHZVTZFSJ-HNNXBMFYSA-N 345.535 5.063 0 1 EKAF Cc1cc(Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1O 87612847 NWSYSMBKETYUNP-UHFFFAOYSA-N 334.803 5.360 0 1 EKAF c1ccc(Nc2ccc(Oc3ncccc3C3CCCCC3)cc2)nc1 139295764 QSMBDCSSADAFTO-UHFFFAOYSA-N 345.446 6.060 0 1 EKAF Cc1cc(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883336 IUQYWZLNJQUFKF-XBPIAWKYSA-N 345.284 5.102 0 1 EKAF CCCCC1CCC(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 586884568 PVZDTCVKFZJWGA-UHFFFAOYSA-N 348.490 6.819 0 1 EKAF Cc1nc(C2CC2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587012654 QMZOOHDNACOLIC-UHFFFAOYSA-N 347.443 5.665 0 1 EKAF FC(F)(F)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036571 GJTQSHFMVUNYHS-CYBMUJFWSA-N 340.395 5.022 0 1 EKAF CCO[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099166 CIDJQAYANVNRBJ-GOSISDBHSA-N 343.426 5.169 0 1 EKAF Cc1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162303 VDEBNNCAMWJAKA-OLZOCXBDSA-N 345.215 5.044 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)=C(C)C3)c1 587365132 FBZOPZYRGLOBQF-UHFFFAOYSA-N 341.410 6.006 0 1 EKAF Cc1[nH]c2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524599 KVDWSAHQWJLCOP-HXUWFJFHSA-N 331.415 5.062 0 1 EKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)cc(C)c2[nH]1 587935977 XXNNWAOCUDNOKQ-UHFFFAOYSA-N 338.838 5.106 0 1 EKAF CCc1ccc(C(=O)CCc2nc3cc4ccccc4cc3[nH]2)cc1 587957300 VSYXAGAFVKBFMI-UHFFFAOYSA-N 328.415 5.094 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccsc2)c1 1857558568 HFHLXVWBKYAHHE-UHFFFAOYSA-N 328.824 5.713 0 1 EKAF c1ccc(-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 1857649713 CALOVMYPKJDLGP-UHFFFAOYSA-N 338.366 5.817 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3)s2)cc1 13558578 CLRXKEHFGIBNNN-UHFFFAOYSA-N 344.435 6.160 0 1 EKAF C[C@H]1[C@H]2Cc3ccc(Cl)cc3[C@]1(C)CCN2Cc1ccccc1 13742446 SFRKZPDHORQPCB-IWMITWMQSA-N 325.883 5.064 0 1 EKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13829890 HBMXHMNJNJKXGF-FGZHOGPDSA-N 344.454 5.968 0 1 EKAF CC(C)CC1(CC(C)C)CCC2(CCN(CCCN(C)C)C2)CC1 26750869 WIVFKJJBPMXOAA-UHFFFAOYSA-N 336.608 5.283 0 1 EKAF O=C1c2cccn2-c2cccc(Cl)c2S[C@H]1c1ccccc1 29223122 NMZYZIUWYURCDQ-KRWDZBQOSA-N 325.820 5.160 0 1 EKAF Cc1cccc(OCc2ccccc2-c2nnc(-c3ccccc3)o2)c1 64446750 HLBDVBFYPPBITR-UHFFFAOYSA-N 342.398 5.291 0 1 EKAF Cc1ccc2c(c1)c1c(ccc[n+]1C)n2CCCCCC1CCCCC1 71295510 IZQBXUDPNIQQSF-UHFFFAOYSA-N 349.542 6.068 0 1 EKAF Cc1ccc2cc3n(c2c1)-c1ccccc1N[C@@H]3c1ccc(O)cc1 71341978 ILXUJWBKGBWPCB-JOCHJYFZSA-N 326.399 5.159 0 1 EKAF Cc1nccc2c1[nH]c1cc(OCc3cccc4ccccc34)ccc12 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587531832 HUBGPJTXAWLMCM-JOCHJYFZSA-N 344.410 5.131 0 1 EKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)s1 587629313 KBHIBMKVZHCHIV-UHFFFAOYSA-N 343.757 5.445 0 1 EKAF Oc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(F)cc2)c(O)c1 587634729 PFKDBFVUXGTPEI-UHFFFAOYSA-N 337.325 5.191 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1C 587920378 GNXXIWJOCIMPGF-UHFFFAOYSA-N 334.366 5.508 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587949279 DTMNEEQYNUAEHS-SEYXRHQNSA-N 340.426 6.142 0 1 EKAF Fc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587956255 PFAPAXUWUHPTCX-INIZCTEOSA-N 334.369 5.216 0 1 EKAF Oc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc2occc12 962664487 OIGPUTLTPNKXHQ-HSZRJFAPSA-N 341.410 5.041 0 1 EKAF CC1=CC[C@H](OC(=O)c2ccccc2)C(C)=C[C@@H](O)C(C)(C)CCC1 2356387857 JRSLQKPYZJDQRG-VQTJNVASSA-N 342.479 5.066 0 1 EKAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C[C@H](C=Cc3ccccc3)OC(=O)[C@@H]12 2356477077 WTHYBEDBWJWEEI-KINXCBNHSA-N 336.475 5.116 0 1 EKAF C[C@@H](CSc1ccccc1)CN1CC[C@H](C(C)(C)C)CCC1=O 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327.493 5.680 0 1 EKAF CC[C@@H](c1ccc(-c2ccc(N(CC)CC)cc2)cc1)n1ccnc1 53184942 AWCYVAOXOLOSIN-QFIPXVFZSA-N 333.479 5.396 0 1 EKAF Clc1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 72115068 NEBRHWAKJHWZMO-NRFANRHFSA-N 349.865 5.139 0 1 EKAF C[C@@H]1CCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1 73224209 CYEHQNDZHVQYCV-HXUWFJFHSA-N 348.534 5.324 0 1 EKAF Clc1ccc2[nH]c3c(c2c1)CCCc1cnn(-c2ccccc2)c1-3 82150471 FOPZATZUCVJTDS-UHFFFAOYSA-N 333.822 5.163 0 1 EKAF COC(=O)C1=CCC[C@H]2C(=CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 238755379 CZVZMXDHIOAILF-JJXUHFIVSA-N 328.452 5.084 0 1 EKAF CC(C)Oc1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898724 MEURRGFMNYKXAG-UHFFFAOYSA-N 344.414 5.390 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(F)cc(Cl)cc4[nH]3)cc2)o1 586902702 GNMFIDYXZZUJAU-UHFFFAOYSA-N 326.758 5.591 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2C1 587034276 RMBDNFPPCCIDAB-MRVPVSSYSA-N 337.275 5.723 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Cl)ccnc2[nH]1 587052159 XDXYGLWMAVJANN-JGVFFNPUSA-N 338.625 5.189 0 1 EKAF Clc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 587082688 BHVXGUDNTSFVKQ-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1ccc(C)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587134230 KTHVXZMMFBJXEP-AATRIKPKSA-N 338.279 5.046 0 1 EKAF O=C(c1cc2cc(F)ccc2s1)c1coc2ccc(Cl)cc12 587278826 MERFGIJYKIJXEZ-UHFFFAOYSA-N 330.767 5.671 0 1 EKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1C1CCCCC1)[C@@H](C2)C3=O 587445562 LGSAHLQLNPCAPZ-CVDCTZTESA-N 348.442 5.232 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(Cl)ccc1Cl 587628343 LFGGSLLOCBXROD-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CC(C)Oc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958413 AWFQYAMVHVRAJB-UHFFFAOYSA-N 342.442 5.608 0 1 EKAF CCCC/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587964742 BWSLIHCIHGLFAA-WAYWQWQTSA-N 347.178 5.548 0 1 EKAF CCCC[C@@H](CC)[C@]1(c2ccccn2)NCCc2ccc(F)c(C)c21 962095833 XPNZBMORUMEYPB-XMSQKQJNSA-N 340.486 5.135 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@]1(CCCC3(CCCCC3)C1)NCC2 963102666 DODRBMQAPHVURY-LJQANCHMSA-N 338.322 5.859 0 1 EKAF CCCc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1 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HUVUCJUZJNAROX-UHFFFAOYSA-N 329.399 5.118 0 1 EKAF CC[C@H](C)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208390 VERHBBYHVLNZNL-UONOGXRCSA-N 327.427 5.522 0 1 EKAF FC(F)(F)c1cnc(-c2cc3c4c(cccc4n2)CC3)c(Cl)c1 587210642 UAQAOENDAYVAOT-UHFFFAOYSA-N 334.728 5.068 0 1 EKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)nc2cccc3c2c1CC3 587210685 VQWQVQCWOJYYPM-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)s1)O2 587408727 DDNKAMLSGPIIMT-QGZVFWFLSA-N 335.428 5.012 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H](c3ccccc3)C1)O2 587408991 SIMUBPSPUPJHMW-VGSWGCGISA-N 335.447 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C[C@@H](C)CCC=C(C)C)CC2=O 587478539 GKEKABOOMPHTJS-JKSUJKDBSA-N 330.468 5.451 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)o1)CC2=O 587482961 PSSGCPUCEPREAG-NRFANRHFSA-N 348.398 5.311 0 1 EKAF C[C@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498722 GEZJMVLGESLBRJ-NRFANRHFSA-N 340.850 5.185 0 1 EKAF O=C1C[C@@H](c2ccc(Cl)c(F)c2F)Oc2c1ccc1c2CCCC1 587501568 CFRQHUWTYCAJEM-INIZCTEOSA-N 348.776 5.204 0 1 EKAF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(Oc2ccccc2)cc1 963016483 ZCRDRDNUFGUXCS-HXUWFJFHSA-N 335.472 5.392 0 1 EKAF CCn1ccc2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)ccc21 963114027 VVADQSLSTSGNSN-LJQANCHMSA-N 345.273 5.203 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(C(F)(F)F)c(C)c1 963230223 PCEDSTLCFZDRQZ-MGPUTAFESA-N 347.424 5.760 0 1 EKAF Cc1cc(O)c(C(=O)CC(=O)c2cc3ccccc3s2)cc1Cl 1857590128 VDUVQSNDRSNZOW-UHFFFAOYSA-N 344.819 5.024 0 1 EKAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857623202 LTDMCKMWCXEYTN-MDAGXAHXSA-N 330.512 5.049 0 1 EKAF CC1=CCC[C@@]2(C)[C@@](C)(Cc3cc(O)ccc3O)[C@H](C)CC[C@]12C 2356509553 TXJPJZWNYUQWCP-ZINXYGQCSA-N 328.496 5.829 0 1 EKAF O=C(O)CCCSCCCCCCc1ccc(Cl)cc1Cl 13758155 MULKPOLTBSDJDV-UHFFFAOYSA-N 349.323 5.694 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@@H]1C2 27555282 QUFRNANIXKUCID-VLSSGDOFSA-N 348.527 5.347 0 1 EKAF Clc1ccc([C@H](CCn2ccnc2)Oc2ccccc2Cl)cc1 40861964 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5.545 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(C)c1)CC2=O 587461823 ULWXZUQYZMWTPJ-FQEVSTJZSA-N 344.838 5.187 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](C1CCC(C(C)(C)C)CC1)CC2=O 587477621 DXDXIPKZIBUXQS-NODKNVJMSA-N 344.495 5.531 0 1 EKAF O=C1C[C@H]([C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587521958 DSFNKJXIRNUKEG-SIKLNZKXSA-N 332.443 5.019 0 1 EKAF C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524841 NPQSCSKEUZCQLU-CMJOXMDJSA-N 332.443 5.323 0 1 EKAF C/C(=C\c1nc2cc(C)cc(Br)c2[nH]1)C1CCCCC1 587967160 IDOAVOAXLBXOFB-ZRDIBKRKSA-N 333.273 5.617 0 1 EKAF Clc1ccc(-c2cc(-c3ccco3)c3oc4ccccc4c3n2)cc1 1772634649 OHFFDEQILVADRK-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)CC(C)(C)C1 1857775033 NLJWGMYYULUAFJ-MNOVXSKESA-N 336.888 5.351 0 1 EKAF COC(=O)C1=CCC[C@@H]2C(=CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 2356416734 CZVZMXDHIOAILF-VMRPVKRXSA-N 328.452 5.084 0 1 EKAF O=C(O)/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl 13814711 VTZFPBIIWCXMIP-VMPITWQZSA-N 325.216 5.242 0 1 EKAF 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CCCCCCOc1ccc(O[C@@H](C)/C=C(C)/C=C/C(=O)O)cc1 66102011 BJFIRHJMXXADLR-MSTMLKEUSA-N 332.440 5.000 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@@H]1CC[C@H]3C1 72102218 XHVZNHAQYIIVPB-DLBZAZTESA-N 329.487 6.508 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2cc3ccccc3s2)n1 72184334 QZTXOTDBHJYWOM-AWEZNQCLSA-N 328.481 5.615 0 1 EKAF O=C1CS[C@@H](c2ccccc2)N1c1ccc(-c2ccccc2)cc1 95785012 GZHOQQHMOFEXET-NRFANRHFSA-N 331.440 5.132 0 1 EKAF COc1cc2c(c(OC)c1C(C)C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 238761374 AFQBYPPKKHHGNA-HTAPYJJXSA-N 344.495 5.036 0 1 EKAF Oc1ccc(-c2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586898393 KBGFKQGZJRFLMT-UHFFFAOYSA-N 340.304 5.020 0 1 EKAF Cc1c(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc2c1C 587033720 LASGZVNYPXDGEV-UHFFFAOYSA-N 347.281 5.159 0 1 EKAF Cc1cc(F)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 587070848 XSOONIRNYAILLV-LLVKDONJSA-N 330.790 5.040 0 1 EKAF Cc1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1C(F)(F)F 587095661 PLYJWCRRLYINBT-UHFFFAOYSA-N 341.336 5.029 0 1 EKAF Cc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1F 587163199 MFHLMRRTYDMFSK-UHFFFAOYSA-N 348.352 5.048 0 1 EKAF CC[C@@]12CC[C@@H](C1)c1c2nc2cccc3c2c1-c1ccccc1C3=O 587207527 MQXANTCRYLUUTF-ZAMGYDSWSA-N 325.411 5.375 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2O[C@@H]2CC3)c1 587366583 UKOJAKMMZADZSV-UTKZUKDTSA-N 343.382 5.043 0 1 EKAF Cc1ccccc1[C@@H]1C[C@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523275 KORSRTNGRYJCEJ-YZUZCNPQSA-N 346.470 5.401 0 1 EKAF CCC[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814827 VZJHTFYJYZIYOP-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF Cc1c(-c2ccc(O)cc2)n(Cc2ccc(F)cc2)c2ccc(O)cc12 653874644 WOSSBOWUODWIOE-UHFFFAOYSA-N 347.389 5.215 0 1 EKAF CC(C)(C)c1cc([C@H]2COc3ccccc3C2)cc(C(C)(C)C)c1O 2356283812 BZIZIHPJXDDAKT-QGZVFWFLSA-N 338.491 5.706 0 1 EKAF CC(=CCCc1ccoc1)C[C@H](O)C[C@@H](C)CCCc1ccoc1 2356621218 SFDYMPBPKHWFDV-RXVVDRJESA-N 330.468 5.552 0 1 EKAF CCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470396 OUABKTXLLXNPEI-UHFFFAOYSA-N 348.515 6.483 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccn1 13741943 IZUINOWPAPJQQC-IGJOJHROSA-N 349.518 5.399 0 1 EKAF c1ccc(CCc2nc(NCc3ccccc3)c3sccc3n2)cc1 13781381 FPLXEHUQILACRN-UHFFFAOYSA-N 345.471 5.089 0 1 EKAF CN1CCC2(CC1)S[C@H](c1cccc(Cl)c1)c1ccccc12 27874286 NNQDSJAHBYPXID-GOSISDBHSA-N 329.896 5.097 0 1 EKAF C/C(=C\CC[C@]1(C)C=Cc2cc(O)c(C)cc2O1)Cc1cc(C)co1 49784098 VSUOGDPUZWQBKJ-KSBRZHAFSA-N 338.447 5.736 0 1 EKAF c1ccc(-c2cc(-c3ccccn3)nc3c2COc2ccccc2-3)cc1 72177732 RXMCSNSIRDCMTB-UHFFFAOYSA-N 336.394 5.370 0 1 EKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc3ncccc3c2[nH]1 586897188 SYIXKQQUTHWRIH-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587042130 IDUJNTYYBAXVTQ-CYBMUJFWSA-N 338.329 5.110 0 1 EKAF Cc1cc(Cl)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068259 NUEHXLHDWDNJNT-UHFFFAOYSA-N 343.217 5.235 0 1 EKAF Cc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099191 CMOITJCXLZEBNF-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF C[C@H](Oc1ccc(F)cc1F)C(=O)c1coc2ccc(Cl)cc12 587278669 QNPRGEQOQOXWHO-VIFPVBQESA-N 336.721 5.015 0 1 EKAF Cc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C)c2c1 587516283 RINOZYYRDWPKDT-JOCHJYFZSA-N 345.442 5.072 0 1 EKAF Fc1ccc2c(Cc3ccccc3Cl)c(-c3ccccc3)[nH]c2c1 587632339 AFRSAKQXASMXMX-UHFFFAOYSA-N 335.809 6.218 0 1 EKAF Fc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1F 587949404 FLJNLPSCUCQOQA-RAXLEYEMSA-N 348.352 5.804 0 1 EKAF COc1cc(C)c(O)cc1CC=C(C)CCC=C(C)CCC=C(C)C 2356313401 XXNPXTOAZUTXAR-UHFFFAOYSA-N 342.523 6.671 0 1 EKAF CC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C[C@@H]3CC[C@@]21C 2356649678 UYVUOOUMEBCKNW-POYSHKPISA-N 330.512 5.194 0 1 EKAF C[C@H](CCC(=O)N(c1ccccc1)c1ccccc1)CC1CCCCC1 169542127 NHNQAGZFFBQXEO-HXUWFJFHSA-N 349.518 6.738 0 3 EKAF Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3C)cc2C)cc1 28393331 VWAUJIOSZXJQCT-UHFFFAOYSA-N 344.410 5.062 0 1 EKAF CCc1ncnc(N[C@H](CC)c2ccc(C(C)(C)C)cc2)c1Cl 28887668 HHTYSFWEEDSZRU-OAHLLOKOSA-N 331.891 5.553 0 1 EKAF C[C@@H](c1ccc(O)c(F)c1)[C@H](CC(F)(F)F)c1ccc(O)c(F)c1 33852264 PRRSFMGODMUPJN-CABZTGNLSA-N 346.295 5.216 0 1 EKAF in-man Cc1ccc([C@@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 49616017 RIDODIRIOLRCAA-QFIPXVFZSA-N 326.443 5.303 0 1 EKAF C[C@H](CNCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72185021 CCNNHXSQVRPFSF-QGZVFWFLSA-N 342.442 5.388 0 1 EKAF CCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 114354140 BWHSSTAUWWAZOK-UHFFFAOYSA-N 327.427 5.662 0 1 EKAF CC(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 118413406 XIHMEOMCSLUVDU-UHFFFAOYSA-N 330.387 5.243 0 1 EKAF CCCCSc1ccccc1[C@H]1N=C(SC)Nc2coc(O)c21 169714001 GVIUOZODDALJGA-OAHLLOKOSA-N 348.493 5.111 0 1 EKAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@H]3[C@@H](C)/C=C/[C@H](C)C(C)C)C1=CC(=O)O2 257413070 FCFUSYHGZLEMJM-CIMAUODISA-N 346.511 5.123 0 1 EKAF endogenous,in-man COc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1Cl 586971354 VDJMKISSFXJHKB-UHFFFAOYSA-N 346.883 5.009 0 1 EKAF C[C@@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506286 RKEGBWLANALRRU-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF CCCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520393 ADHPKRHTOAUKKD-NRFANRHFSA-N 336.431 5.061 0 1 EKAF CC(C)Cc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521416 FLZMQHTZZNHEKS-DEOSSOPVSA-N 348.486 5.645 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2=CCCCC2)N1 587818491 HYJRPHNJFYYRNJ-NHYWBVRUSA-N 338.264 5.054 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587952078 LRRVZNJKDXEGNO-QKCSRTOESA-N 341.377 5.023 0 1 EKAF Oc1nc2ccc(-c3c(Cl)cccc3OC(F)(F)F)cc2s1 1857640957 FFERWAZVBAHCCT-UHFFFAOYSA-N 345.729 5.221 0 1 EKAF CC1(C)C(=C(c2ccc(O)cc2)c2ccc(O)cc2)[C@]2(C)CC[C@H]1C2 13517930 QAUMFYYKPXCJLD-GAJHUEQPSA-N 334.459 5.746 0 1 EKAF c1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1 13672192 WNXQEGFQSVSQOB-UHFFFAOYSA-N 342.446 5.318 0 1 EKAF CCN(CC)CCC[C@@H](C)Nc1c2c(nc3ccccc13)CCCC2 16891677 WJYJFKUYTXDTAR-QGZVFWFLSA-N 339.527 5.036 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1C[C@@H]1CCCCC(=O)O 27876809 DUTNGCOLYMDALQ-QNTRPTIYSA-N 330.512 6.463 0 1 EKAF CCN1c2c(ssc2=S)Sc2ssc(=S)c21 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PXSMEPRWQNYAIL-VQTJNVASSA-N 331.459 6.049 0 1 EKAF S=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCC1 73169978 DRDLVASWUHBDCU-UHFFFAOYSA-N 325.477 5.790 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)NC2CCCCC2)no1 95578999 UOTLDRHRWZLHME-IENJSVCTSA-N 342.483 5.133 0 1 EKAF CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCCC 95618253 SFPNSCZLRJDTGT-RDPWEWGOSA-N 340.548 5.948 0 1 EKAF endogenous,in-man FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ccccc2)c1 101387204 NAZAMXVJDAUZNQ-IZZQQSIFSA-N 347.380 5.034 0 1 EKAF CCC[C@@H](Nc1cncc(-c2cc(C)c(O)c(C)c2)c1)c1ccccc1 136326375 BLCIKWGCXHAVKN-JOCHJYFZSA-N 346.474 6.024 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)N=O 169713373 YVIHCAGOLKNAHE-CABOLEKPSA-N 333.472 5.962 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cccc(Br)c2[nH]1 586962756 HHUWBSKDSSIKAW-LLVKDONJSA-N 347.281 5.320 0 1 EKAF FC(F)(F)c1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587024735 BIAPIOYIBNLFFO-UHFFFAOYSA-N 344.361 5.977 0 1 EKAF Clc1cnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1Cl 587086129 SXIZXCHBYZKHKF-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1C 587144685 BXIBPOIVOXERIB-UHFFFAOYSA-N 334.369 5.792 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F 587146227 FFUNMIDZPZLVIB-PLNGDYQASA-N 338.279 5.339 0 1 EKAF CCc1c(-c2cccs2)nc2cccc3c2c1-c1ccccc1C3=O 587208658 XDGDRYRQFACZLF-UHFFFAOYSA-N 341.435 5.737 0 1 EKAF Cc1ccc2c(c1)CCCN2[C@@H](C)c1cc2c3c(cccc3n1)CC2 587212745 QPVFBUKUGVEABC-INIZCTEOSA-N 328.459 5.156 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1C 587244313 NUCYPZRNFOEOME-UHFFFAOYSA-N 341.414 5.099 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(CC)c1)CC2=O 587458772 FKXGNKPUKWWZGN-IBGZPJMESA-N 344.838 5.267 0 1 EKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C)cc(Cl)cc12 587624211 FYKUXBZRSCJHOT-UHFFFAOYSA-N 348.229 5.627 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)o3)c(C(=O)C(F)(F)F)c2c1 587640803 JJBOQPNUULTYSW-JTQLQIEISA-N 349.352 5.995 0 1 EKAF Cc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2n1 587957265 JMHUQDXGHOEVIT-UHFFFAOYSA-N 345.487 5.185 0 1 EKAF CCCC[C@H](C(C)C)[C@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618909 FFGRVXHODBQENY-RADWXHQJSA-N 347.543 5.258 0 1 EKAF CCCCCC=CCC=CCC=CCCCC[C@H]1CC=CC(=O)O1 2356382776 NSHWWXNBJYFANB-NRFANRHFSA-N 330.512 6.448 0 1 EKAF COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 199364090 AVFFUDZWYMRBEH-UHFFFAOYSA-N 346.405 5.048 0 3 EKAF C=C(c1ccccc1SCc1ccc(Cl)cc1)n1ccnc1 28765550 QPKUELVLEQOFBK-UHFFFAOYSA-N 326.852 5.348 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[n+]1ccn(C)c1 28816835 VQGFDMWTWRSIKI-PISJWJKUSA-N 341.563 6.373 0 1 EKAF Cc1cc2oc(C(=O)O)cc2c(C)c1Oc1ccc(O)c(C(C)C)c1 28948125 SXPMPNNJIPNJEH-UHFFFAOYSA-N 340.375 5.369 0 1 EKAF CCOc1ccc(Cc2nc3cc(SCC)c(Cl)cc3[nH]2)cc1 29047142 MRJYIGFFVRGLOI-UHFFFAOYSA-N 346.883 5.318 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@H]2CC[C@@H]1N2C 36270705 RBRMVWHMOIEQRO-QQCJNWGMSA-N 349.518 5.509 0 1 EKAF CCCCCCSc1ccc(C(=O)CCN(C)C)c(Cl)c1 42966153 FWYRIRWEZJRCCF-UHFFFAOYSA-N 327.921 5.147 0 1 EKAF Cc1cccc(Nc2nc(-c3ccncc3Br)cs2)c1 45245499 CWNSZLVGGXPCDR-UHFFFAOYSA-N 346.253 5.020 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cc1 45298713 RPRBCFLRKRZGKQ-UHFFFAOYSA-N 346.230 5.609 0 1 EKAF COCCCCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1 69482147 UDFAQHMVTQZZRW-QHAWAJNXSA-N 341.580 5.206 0 1 EKAF biogenic,in-vitro C[C@](/C=C/c1ccccc1)(Cc1ccccc1)[C@H](O)c1ccccc1 71335217 ANHMNCZTYNYUJX-MVUKWZHESA-N 328.455 5.682 0 1 EKAF Oc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1 72114613 RGCNNZXIHOUMOQ-UHFFFAOYSA-N 349.340 5.024 0 1 EKAF CN(Cc1cccc2ccccc12)[C@@H](CF)c1ccc(C(C)(C)C)cc1 96930063 FOAWGXQIJRNWAL-QHCPKHFHSA-N 349.493 6.280 0 1 EKAF c1ccc(-c2cc([C@@H]3[C@@H](c4ccccc4)C[C@@H]4CC[C@H]3S4)on2)cc1 169305739 GGNBFDVFZAGDEV-KKXYHZGYSA-N 347.483 5.877 0 1 EKAF Cn1cc([C@H](c2c[nH]c3ccccc23)C(F)(F)F)c2ccccc21 221077167 CQHGNYCQXMKREE-SFHVURJKSA-N 328.337 5.354 0 1 EKAF COC(=O)/C(=C/CC/C(C)=C/CC/C(C)=C/CO)CCC=C(C)C 238754905 XKFLFUFHSYHQJS-CFOYXCMVSA-N 334.500 5.278 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@]1(C)C[C@H]4[C@@H]2C[C@H]1C2(C)C 238778537 DFVPLEHWOLQFJU-QQVQHEQESA-N 331.459 5.930 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(F)c(F)c(F)c2[nH]1 586970853 KJDXMTVWTWQTFJ-UHFFFAOYSA-N 349.194 5.171 0 1 EKAF Cc1ccc2c3c(cc(-c4ccc(O)cc4)nc13)-c1ccccc1C2=O 587100483 AQOCISBRXGHWJQ-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF Cc1ccc(/C=C\c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587205435 AITJGGSJNJIAAR-YPKPFQOOSA-N 347.417 5.925 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCCC[C@H]1CC3 587208383 UYTGMCHWXYWTNN-LSDHHAIUSA-N 339.438 5.666 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)c3ccccc31)CC2=O 587486358 XLBHJJUVGWCPCU-JLCFBVMHSA-N 336.431 5.103 0 1 EKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NN1CCCC1 653768374 RTBPHVWKENCXPN-HZJYTTRNSA-N 348.575 5.927 0 1 EKAF Clc1ccc2sc(SCCCN3CCCCCC3)nc2c1 1857605413 LBDCFVMJSABIKC-UHFFFAOYSA-N 340.945 5.308 0 1 EKAF O=C1c2ccc(O)cc2CC[C@H]1Cc1ccccc1-c1ccccc1 13675286 WAVSCJOMQNITPQ-IBGZPJMESA-N 328.411 5.047 0 1 EKAF O=C(O)CCc1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1 13679794 QDSYRDVXVBTYSN-UHFFFAOYSA-N 332.399 5.087 0 1 EKAF CC(=O)O[C@H]1CC(C)(C)[C@@H]2CCc3cc(C(C)C)ccc3[C@@]2(C)C1 14411024 WIPBCBTWUKPWAM-RCZSKKKRSA-N 328.496 5.382 0 1 EKAF CC(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40918106 FPGUFARGSSPCRK-UHFFFAOYSA-N 331.415 5.517 0 1 EKAF CC(C)c1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1 95584083 NCSCDWMSZFBJSU-UHFFFAOYSA-N 343.514 5.883 0 1 EKAF CCN(Cc1cccnc1)c1cccc(-c2nc3ccccc3s2)c1 96903466 MKIGMPSDMNXEHJ-UHFFFAOYSA-N 345.471 5.385 0 1 EKAF CC/C=C(/C)Oc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc12 238733874 NPVUVEQCALNDQY-AUWJEWJLSA-N 346.382 5.899 0 1 EKAF C[C@H]([C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1)N(C)C 255260224 PYDXFAVAROXWAK-RXIZZQBPSA-N 343.555 5.085 0 1 EKAF COc1cc2c3c(c1)OC1(CCCCCCCCCC1)[C@@H](C2)C3=O 587447044 KMGZTDAZNVULPE-KRWDZBQOSA-N 328.452 5.096 0 1 EKAF Cc1c(Cl)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496747 FGTFYUVMUXWMII-LJQANCHMSA-N 326.823 5.234 0 1 EKAF Cc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587516457 SXTCQQBPRQIIPN-JOCHJYFZSA-N 345.442 5.072 0 1 EKAF CCCC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813262 NWGSNIROPUEXAJ-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(Cl)cc3Cl)n2)c1 587920778 ODCRQKLRVYCFRY-UHFFFAOYSA-N 340.662 6.437 0 1 EKAF CSc1ccc(-c2csc(Cc3cccc(Cl)c3)n2)cc1 587925105 OIENNWFRFBVBQB-UHFFFAOYSA-N 331.893 5.776 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@H]([C@@H]1CCCCc3ccccc31)NCC2 963113188 VOMABHKDAMLUBB-XLIONFOSSA-N 346.301 5.690 0 1 EKAF CC(C)CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356386579 OJVIYCAZGUZRNQ-UHFFFAOYSA-N 330.512 6.629 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@@H]3[C@H]1[C@@H]2C3(C)C 14859662 CUSONBTUCOAEMV-MUXOPTKESA-N 331.459 5.930 0 1 EKAF endogenous,in-man Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCCCC2 27301763 WQXGRRULTCZBCR-UHFFFAOYSA-N 347.483 5.497 0 1 EKAF CN1CCCc2ccc(NC(=O)c3ccc(-c4ccsc4)cc3)cc21 40567374 IPRFYKWSKBAHJG-UHFFFAOYSA-N 348.471 5.050 0 1 EKAF CC(C)=CCCC(C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1 53293486 ZBPNXPAFSOONFR-CJQREAPYSA-N 348.486 6.577 0 1 EKAF CC(C)C(=O)Nc1cc2oc(-c3ccc(Cl)cc3)nc2cc1Cl 71297060 RBDIRCFERBEHSU-UHFFFAOYSA-N 349.217 5.396 0 1 EKAF C[C@H](N=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 78313313 JTLWCTPCKXHSGE-YZXCLFAISA-N 331.500 5.081 0 1 EKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586881288 SGMYVMWLLPJUGO-UHFFFAOYSA-N 332.325 5.396 0 1 EKAF Cc1ccc(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1 586963293 GTXPDPLTRVBMPS-UHFFFAOYSA-N 338.263 5.174 0 1 EKAF Clc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Cl 587085713 CENMTSASSASFIL-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1c(C2CCCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099615 OZTLMEJPKXBBME-UHFFFAOYSA-N 327.427 5.721 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@](C)(C(C)C)C4)-c1ccccc1C2=O 587101782 VWKWSXWMDCYESG-XMMPIXPASA-N 341.454 5.516 0 1 EKAF Cc1ccc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587146752 VICBNAQRJYLPIG-DAXSKMNVSA-N 336.288 5.079 0 1 EKAF Fc1ccc(/C=C(/c2nc3ccc(F)cc3[nH]2)c2cccs2)cc1 587164258 OWHGEDLQNOTHBT-XNTDXEJSSA-N 338.382 5.492 0 1 EKAF CC(=O)[C@H](C/C=C\c1ccccc1)c1cc2c3c(cccc3n1)CC2 587214505 RMHSGDGCRIPTGL-JUIXODQZSA-N 327.427 5.110 0 1 EKAF CC1(C)CC(C)(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524777 MZLUSLOISCABOV-UHFFFAOYSA-N 326.480 5.506 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccccc1C(C)C 587631649 SCXCVJLWBXSFLD-UHFFFAOYSA-N 344.817 5.645 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(NC(C)=O)c3)c(C(C)=O)c2c1 587640867 CDESWDDCTXEULB-CYBMUJFWSA-N 348.446 5.509 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(OCc3ccccc3)c2c1 587641130 KHRNBAFBLNNEEE-ZDUSSCGKSA-N 347.380 6.279 0 1 EKAF CC(C)=CCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813915 QNOGVVZIYKBLQL-YVEFUNNKSA-N 340.280 5.084 0 1 EKAF Fc1cc(Cl)cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961112 JEFMLZBPVFRDHR-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF Cc1c(CC(C)C)nc(-c2ccco2)n1-c1c(Cl)cccc1Cl 1857615825 MRHOGORWIALJOI-UHFFFAOYSA-N 349.261 5.946 0 1 EKAF CN(c1ccccc1)c1cc2oc(-c3ccco3)nc2c2ccccc12 1857759153 LINBJKUWTJVXKT-UHFFFAOYSA-N 340.382 6.009 0 1 EKAF O=C(C[C@@H](C(=O)c1cccs1)c1ccsc1)c1ccccc1 1861829 JGIALIGJEMTVJE-OAHLLOKOSA-N 326.442 5.049 0 1 EKAF CC[C@@H](c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)n1ccnc1 40976813 PKWLGTQHLJMGCE-SFHVURJKSA-N 346.352 5.448 0 1 EKAF O=C(c1ccccc1)c1oc2ccc3ccccc3c2c1-c1ccccc1 45391022 FZVCYBXONZGIAQ-UHFFFAOYSA-N 348.401 6.484 0 1 EKAF CC[C@@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=S)cc1 64549588 NJXWLLADWZLFRZ-LLVKDONJSA-N 345.851 5.480 0 1 EKAF Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCCCC5)cc34)[nH]c2c1 66077208 XQZYLNRYUFJJOG-UHFFFAOYSA-N 344.462 5.764 0 1 EKAF C[C@@H]1C[C@H](Nc2cncc(Oc3ccccc3F)n2)CC(C)(C)C1 82068712 HGLKHKJOZYFGDB-KGLIPLIRSA-N 329.419 5.035 0 1 EKAF CNc1nc(Nc2ccccc2)c2sc(-c3ccccc3)cc2n1 103263045 PRCBKJDGHJRGKT-UHFFFAOYSA-N 332.432 5.144 0 1 EKAF CC/C=C\C/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\CCC(=O)O 205981771 FFAHMRSFNLJTHE-WGHUZSCTSA-N 342.479 5.536 0 1 EKAF in-vitro c1ccc(Oc2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884958 RTXARCHONMBZBU-UDNQCKOASA-N 344.458 5.823 0 1 EKAF O=C1c2ccccc2-c2cc(C3=CCCCC3)nc3ccc(O)c1c23 586992305 VFHKVTZPAPLLIT-UHFFFAOYSA-N 327.383 5.109 0 1 EKAF C[C@H]1CCc2sc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2C1 587033354 HSTCGWMSBMTOKV-QMMMGPOBSA-N 337.275 5.723 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)c(F)ccc2[nH]1 587067034 YRAFBYWXZZOHSQ-UHFFFAOYSA-N 339.801 5.430 0 1 EKAF O=C1c2ccccc2-c2cc(CCc3ccccc3)nc3cccc1c23 587205425 AFYKWXCMWBEKIC-UHFFFAOYSA-N 335.406 5.231 0 1 EKAF Cc1ccc(NC2(c3nc4ccc(OC(C)C)cc4[nH]3)CCCC2)cc1 587236985 JHCRGYGMRHESLE-UHFFFAOYSA-N 349.478 5.540 0 1 EKAF C[C@](Cl)(c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499016 QHTMWQAOQQFXOB-FPOVZHCZSA-N 340.850 5.053 0 1 EKAF O=C1C[C@@H](c2cccc3c(F)cccc23)Oc2c1ccc1c2CCCC1 587506741 LKLWNWHZIANXDW-QFIPXVFZSA-N 346.401 5.564 0 1 EKAF CCCOc1ccccc1-c1nc(-c2cc(F)ccc2F)cs1 587922405 OPFOEWVSNLCSQA-UHFFFAOYSA-N 331.387 5.544 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)cc1 587935499 MMQPJKRKLCNVHF-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF Clc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c(Cl)n1 587965130 ODIWSXZVPBZTSP-UHFFFAOYSA-N 334.250 5.104 0 1 EKAF N=C(N)c1ccc(-c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 1772594185 MTQCTKUZWFFJJW-UHFFFAOYSA-N 347.270 5.673 0 1 EKAF CC(=O)O[C@@H]1C(C(C)C)=CC=C(C)CCC=C(C)CCC=C(C)[C@H]1O 2356498809 JSCFEQUPOIVPOF-FGZHOGPDSA-N 346.511 5.274 0 1 EKAF O=C(O)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 3832054 FJFIWHKWHJRREW-UHFFFAOYSA-N 340.382 5.109 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C\c2ccccc2)cc1O 13358299 YPGQBVBJFQCVKA-CLEBYIFHSA-N 348.486 6.503 0 1 EKAF O=C(O)CCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1 13448467 FZXZHLVBLXIJCK-UHFFFAOYSA-N 348.446 5.252 0 1 EKAF CC/C=C(\C)[C@H]1C(C)=C[C@@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 36423193 MKULNXUVQXEUEY-UXCDBTPASA-N 342.479 5.091 0 1 EKAF O=C(c1ccc(N2CCCCC2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64559755 CUONICBVAWIINN-WOJBJXKFSA-N 339.866 5.317 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2)o1 586903776 VEBNGNVXUZBQFD-UHFFFAOYSA-N 326.758 5.591 0 1 EKAF FC(F)(F)c1cccc2nc(CCc3cc4ccccc4o3)[nH]c12 586904486 VNIDGNLUUCOLHQ-UHFFFAOYSA-N 330.309 5.113 0 1 EKAF CCc1cc(OCc2nc3ccc(SC)cc3[nH]2)ccc1Cl 587052472 BSOWKZWVERNKAQ-UHFFFAOYSA-N 332.856 5.080 0 1 EKAF Fc1ccc(Nc2ncc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587212942 NDASSULCXYRMSK-UHFFFAOYSA-N 347.418 5.340 0 1 EKAF CCCCC/C=C\CC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587479293 HSEVZGZPQPHGCX-HLRDLLSLSA-N 330.468 5.595 0 1 EKAF CCc1cc(CC)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528268 ZZURKVRORCKQKD-JOCHJYFZSA-N 334.459 5.397 0 1 EKAF Cc1cc(Cl)cc2c(O)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587623820 QOCIVYZLMNATRI-UHFFFAOYSA-N 326.610 5.809 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(CSc3ccc(F)cc3)c2c1 587643935 YYDYOEHADQUMAK-ZDUSSCGKSA-N 327.468 6.421 0 1 EKAF C[C@@]1(C[C@H]2C[C@H]3CC[C@H]2C3)NCCc2cccc(-c3ccccc3)c21 962666430 JYDLHKBPDWJJPL-AEHXPESNSA-N 331.503 5.541 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1c[nH]c2cc(F)ccc12 963241863 OEIMFOUMWGGTTN-IVZQSRNASA-N 336.454 5.227 0 1 EKAF Cc1ccc2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c1 72137692 TXCQYACIASVWPZ-UHFFFAOYSA-N 332.834 5.554 0 3 EKAF CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccccc1OC 205706340 FRMKJUZWSMSVBG-RVSXGSNBSA-N 331.456 5.383 0 3 EKAF CCOP(=O)(OCC)[C@H](Nc1cccc(F)c1)c1ccccc1 5838986 WIIUAPPPPXMPEP-KRWDZBQOSA-N 337.331 5.203 0 1 EKAF CC[C@@H](C)c1ccc(N2CCN=C2Nc2cccc([C@H](C)CC)c2)cc1 26819293 FYFHYQJTBQKHON-QZTJIDSGSA-N 349.522 6.002 0 1 EKAF CCCCc1oc2ccccc2c1Cc1ccc2ccc(O)cc2c1 28463582 AJFNWFCJOHWEHH-UHFFFAOYSA-N 330.427 6.225 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)c1 49068770 DLUFNTXHXJNUFJ-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF in-vivo C[C@@H](NCc1coc(-c2cccc3ccccc23)n1)C1CCCCC1 72100893 CSMJVBCZPOPPTN-MRXNPFEDSA-N 334.463 5.553 0 1 EKAF CCCCC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2 85547647 WSNNRICCQOXNBM-FAWMDMTCSA-N 334.544 5.065 0 1 EKAF biogenic,in-vitro c1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299831105 IVCWHHNXOBKGDG-UHFFFAOYSA-N 341.370 5.069 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586963147 LAIIUYBQSPBMGM-JTQLQIEISA-N 337.275 5.864 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1 587564299 IBAHEXAEGGKCFD-UHFFFAOYSA-N 328.843 5.483 0 1 EKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2OCc2ccccc2)cc1 587634933 VLHJPDOIVZHZRL-UHFFFAOYSA-N 335.353 5.692 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587952906 XSHXXNBVCKFMSR-SCVCMEIPSA-N 342.270 5.311 0 1 EKAF CC(=C[C@@]1(C)[C@H]2[C@H](C)C[C@@H](C)[C@H]2C(C)=C[C@H]1c1ccccc1)C(=O)O 2356725506 HIANYLYHDLQNBW-ZTSOVBTOSA-N 338.491 5.676 0 1 EKAF Cc1ccccc1O[C@]1(C)CCN(Cc2ccc3ccccc3c2)C1 61926942 HYIMMUVGGRTWMN-HSZRJFAPSA-N 331.459 5.192 0 3 EKAF Cn1cc([C@@]2(C)CC(C)(C)c3c2n(C)c2ccccc32)c2ccccc21 5498990 YWGIJEUCONVDOX-XMMPIXPASA-N 342.486 5.657 0 1 EKAF CCn1ccc2cccc([C@@H](c3cccc(Cl)c3)n3ccnc3)c21 13489552 FKDDOJKQFYUBTI-HXUWFJFHSA-N 335.838 5.149 0 1 EKAF CN(C)[C@@H]1C=C[C@@]2(CC1)c1ccccc1CCc1ccc(Cl)cc12 13649953 QPNVVIACYJVUOX-DENIHFKCSA-N 337.894 5.005 0 1 EKAF C1=C2C(=C(c3ccccc3)c3ccccc32)CN(Cc2ccccc2)C1 34539783 CHABMFIFLKZFST-UHFFFAOYSA-N 335.450 5.401 0 1 EKAF Cc1c(O[C@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1 40939740 ASYJGQCBUDDSFS-OAHLLOKOSA-N 329.871 5.255 0 1 EKAF Clc1cccc(Cl)c1O[C@@H](CCn1ccnc1)c1ccccc1 40981299 QZKOIPFCBAJYAI-KRWDZBQOSA-N 347.245 5.400 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cnsc3)cc2)n1 49037626 WAJFKFSHTYDHTE-UHFFFAOYSA-N 339.508 5.297 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1 49069052 IGJNFEGERSIBAW-VOQZNFBZSA-N 335.491 5.544 0 1 EKAF CC1(C)C[C@](CCNc2cccc(F)c2)(c2ccccc2)CCO1 72109122 ICHQTFJZIXMILE-OAQYLSRUSA-N 327.443 5.155 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162218 NOSVXTXDFJCPSY-QFBILLFUSA-N 337.511 5.894 0 1 EKAF CC(C)CN1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671210 FXJIMUOQXGWOMU-QGZVFWFLSA-N 339.426 5.370 0 1 EKAF CCc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)O)[nH]c2c1 95580911 IDUGGXJZGRRKEB-UHFFFAOYSA-N 331.824 5.233 0 1 EKAF c1ccc(-c2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1 95588556 NVPLNHJBYGKMMK-ZTCOLXNVSA-N 347.502 6.196 0 1 EKAF COc1ccc2[nH]c(-c3cc4ccc(Br)cc4[nH]3)cc2c1 103259946 AWVLHRHTCOJRFR-UHFFFAOYSA-N 341.208 5.087 0 1 EKAF CC(C)(C)c1ccccc1OCCn1c(=S)[nH]c2ccccc21 205424372 ZAGSYNVUYYRMAO-UHFFFAOYSA-N 326.465 5.075 0 1 EKAF CCSCCN[C@H](CC)C1(c2ccc(Cl)c(Cl)c2)CCC1 219099354 QWPALKWPYKKFAT-MRXNPFEDSA-N 346.367 5.536 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)o1 586902448 FBOREBSHRYYAFS-UHFFFAOYSA-N 343.308 5.212 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587628796 ALHWFJWVFVJZCH-UHFFFAOYSA-N 337.728 5.437 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)c1 587933251 WHUSMUZVJZOVAO-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF Cc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c1F 1772581194 NWAYJXOJQNNMMX-UHFFFAOYSA-N 339.172 5.433 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)c4cocc4CC[C@H]32)C1(C)C 2356535621 DUYNKHFSOPGXQD-GIGYVVOSSA-N 344.495 5.268 0 1 EKAF CCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O 3800385 KBYLYZYSBMPRGR-UHFFFAOYSA-N 349.257 6.297 0 1 EKAF CCCC(=O)c1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1 39214878 UBPGOSQBOPVSQG-UHFFFAOYSA-N 344.418 5.146 0 1 EKAF Nc1ccc(-c2cc3ccccc3s2)cc1NC(=O)c1ccccc1 49112634 WTHSADGCIQFDMQ-UHFFFAOYSA-N 344.439 5.403 0 1 EKAF Cc1ccc([C@@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 84714676 YRFJSWZJODANPB-JOCHJYFZSA-N 341.435 5.313 0 1 EKAF C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCN=O 169684311 XWXDGLDMLXDRKR-ODANQSQASA-N 331.500 5.083 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cnncc4[nH]3)cc2)CC1 586881967 YKDWQTJVEYGLFM-WKILWMFISA-N 334.467 5.484 0 1 EKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)o1 586992295 UOXWJHDJXWNCBM-UHFFFAOYSA-N 341.366 5.029 0 1 EKAF Fc1cc(Cl)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085785 HSTVQDIDSNGLOC-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C)cc3[nH]2)c1 587158250 BAGIKCSZMNNHNU-UHFFFAOYSA-N 346.405 5.277 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1 587161122 KGIWEOKNKOLDLO-QWHCGFSZSA-N 345.215 5.044 0 1 EKAF CC/C=C/CCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446236 VJXMIPUTRWJESJ-JDTHPWDHSA-N 328.452 5.118 0 1 EKAF CC(C)(C)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526239 RURDNKMMSLQDIR-UGKGYDQZSA-N 326.480 5.506 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)s1 587629708 YJIXDZBXFVKEFW-UHFFFAOYSA-N 343.757 5.499 0 1 EKAF CC/C(=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587967957 QEJVOHGKJZATSA-WQLSENKSSA-N 348.343 5.980 0 1 EKAF Cc1ccc(C(C)(C)C[C@@]2(C)NCCc3cc(C)c(F)cc32)cc1 962095674 WBYVFEUETSSFNE-JOCHJYFZSA-N 325.471 5.171 0 1 EKAF CCCCC[C@@H]1O[C@H](CCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 2356427202 RVTUJFHXENKYMN-LWYYNNOASA-N 340.548 5.900 0 1 EKAF C[C@@H](Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1 4118045 PTEHHMVRHOYERK-OAHLLOKOSA-N 343.405 5.609 0 3 EKAF CCOC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 13403122 SAJRXXIOFTUOHI-GNDPMSABSA-N 334.544 6.155 0 1 EKAF FC(F)(F)Oc1ccc(-c2noc(-c3sccc3Cl)n2)cc1 13671406 VQJZUMHDYQXTTI-UHFFFAOYSA-N 346.717 5.017 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@@H]1CCC(=O)O1 28130310 QYBQNKQUPKDTKI-MDSSFQTESA-N 340.507 6.390 0 1 EKAF Nc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)cc1 35259953 MXLYRBIVTQTDKC-UHFFFAOYSA-N 348.446 5.300 0 1 EKAF COc1ccc(-c2cccc(CN[C@H](C)c3cccc(OC)c3)c2)cc1 58591868 AHRINSLALPTLTE-QGZVFWFLSA-N 347.458 5.222 0 1 EKAF CCOc1ccc(-c2nc(CN[C@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72182843 QRURZMVBMFXWEQ-RDJZCZTQSA-N 342.483 5.045 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@H](C)c3ccc(F)cc3)ncn2)cc1 82162114 ZRAFLLHBPNOIDJ-OAHLLOKOSA-N 335.426 5.579 0 1 EKAF Cc1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144725958 GRZAWNKZRSLBFN-FQEVSTJZSA-N 340.344 5.441 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3ccccc3Cl)cs2)c1 473087542 KMGMICVBAMISBX-UHFFFAOYSA-N 332.881 5.351 0 1 EKAF Cc1ccc(CSCCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586970552 GHSBNAJCMAHQQW-UHFFFAOYSA-N 338.520 5.645 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C1CC1)-c1ccccc1C2=O 587101396 SRBFKIRFRIKEFB-CQSZACIVSA-N 325.411 5.194 0 1 EKAF CC(C)Oc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131272 BOYMREMKJHAILE-UHFFFAOYSA-N 342.389 5.232 0 1 EKAF Cc1c(Br)cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1C 587969339 MVVKFZLFGDWGSR-CHWSQXEVSA-N 349.316 5.872 0 1 EKAF CCSc1cccc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962664005 HWDDLRIEAVGOLD-HSZRJFAPSA-N 345.511 5.701 0 1 EKAF c1cncc(CN2CCc3sccc3[C@H]2c2cccc(C3CC3)c2)c1 962999951 STMVMMKNWLYBQT-JOCHJYFZSA-N 346.499 5.168 0 1 EKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1c[nH]nc1-2 1857571041 ZSOCOMKAVZVRKU-UHFFFAOYSA-N 342.483 5.658 0 1 EKAF CC1=C2C[C@@]3(CN4CC4)CC[C@@H](C4CCCCC4)[C@@]2(CC1)C3(C)C 2356354474 KELPXURMLUGWLS-WWPVKYPJSA-N 327.556 5.805 0 1 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1ccccc1OC 205706319 FRMKJUZWSMSVBG-VDUSKEEQSA-N 331.456 5.383 0 3 EKAF CC1=CC(C)(C)Nc2ccc(-c3cc(Br)cs3)cc21 3832319 QRGCGNOXVSPDPZ-UHFFFAOYSA-N 334.282 5.785 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 6804219 CSVZRSLESIKPMY-VUGDJXFHSA-N 347.458 5.244 0 1 EKAF CC(C)C[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2 13741445 VLJOZQWJEGNYAL-GOSISDBHSA-N 340.463 5.182 0 1 EKAF C[C@@H](C(=O)O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978963 XYKVAQZEXQPNRN-MRXNPFEDSA-N 331.415 5.154 0 1 EKAF CN(C)c1cc(N)c2c(-c3ccccc3)c(-c3ccccc3)sc2n1 43123128 HGQIKNYIEPNVIC-UHFFFAOYSA-N 345.471 5.279 0 1 EKAF C[C@H](Nc1cc2c([C@H]3CCCC[C@H]3C)noc2cn1)c1ccccc1 45506058 RRBCORZOVOSGLG-VYDXJSESSA-N 335.451 5.690 0 1 EKAF CC12C[C@@H]3C[C@@H](C1)CC(NC(=O)c1ccc(Cl)cc1Cl)(C3)C2 100312032 YRNDLGUMTLCJFG-VCKYCXPWSA-N 338.278 5.082 0 1 EKAF CCC1=C[C@@](CC)(C[C@@H](CC)CC(CC)CC)O/C1=C/C(=O)OC 140537325 HAXCESPGDCXOAV-YNRPJPPASA-N 336.516 5.801 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)C1 299832117 RTOUTFVQBVFHIY-QGZVFWFLSA-N 328.843 5.399 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc1 586898144 MMPFGCJKURAISM-UHFFFAOYSA-N 337.382 5.151 0 1 EKAF C[C@@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990303 AZGTXYAUMSTKGM-GFCCVEGCSA-N 343.426 5.228 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3F)nc3cccc1c23 587104482 WMXDGCOOZUPPNK-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C)cc3[nH]2)c1 587241046 PDRNDNKWDUOLPW-UHFFFAOYSA-N 342.446 5.481 0 1 EKAF O=C1C[C@H](c2cc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 587508322 UWLCLZXXPOWBJI-GOSISDBHSA-N 330.786 5.064 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c(C)c1 587631832 WNVPASBHNXHTIZ-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3nc4cc(Cl)ccc4s3)n1)O2 587875691 GQQXWMFAZOHSGA-UHFFFAOYSA-N 343.770 5.047 0 1 EKAF Cc1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949470 HOFUTQLHDWFWOB-PFONDFGASA-N 326.399 5.834 0 1 EKAF CC/C(=C\c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(C)cc1 587967624 PFZZTAHQNOITQI-DHZHZOJOSA-N 332.234 5.524 0 1 EKAF C[C@@H]([C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1)N(C)C 2356497515 PYDXFAVAROXWAK-KEFICOIWSA-N 343.555 5.085 0 1 EKAF CC1=C2[C@@H](Nc3ccccc3C(=O)O)C[C@H](C)[C@@]23CC[C@@H](C3)C1(C)C 2356540661 FUHKTMCSLBNMMQ-NKEQNAPSSA-N 339.479 5.348 0 1 EKAF Cc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)nc1 13141341 FDWLVIWXUAWJDW-UHFFFAOYSA-N 343.455 5.924 0 1 EKAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(C)cc3)cccc12 13553472 NTIBJMBGWRKOAK-UHFFFAOYSA-N 332.491 6.145 0 1 EKAF CCCCCC[C@H](O)/C=C/C=C/CCCCCCCCCC(=O)O 26578653 YYKDRLLOUHUEFD-ZHKSDQLTSA-N 338.532 6.026 0 1 EKAF CC(C)c1ccc(CN(CCCN)Cc2ccc(C(C)C)cc2)cc1 27657813 BJSDDITVENPTQS-UHFFFAOYSA-N 338.539 5.284 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2ccccc2)o1 28130433 HQZDZQUKZOMFPX-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(=C/COP(=O)(O)O)C(C)(C)C 28656266 QMJPRCONYFSJIH-ADPXBSPTSA-N 344.432 5.541 0 1 EKAF Cc1nccn1CCCCCCCCCCCCn1ccnc1C 28865604 ZBGOWZUVRACNMY-UHFFFAOYSA-N 330.520 5.298 0 1 EKAF Clc1cc(Cc2ccccc2)nc(SCCc2ccccc2)n1 49053820 NEGAUYSUNXRXOF-UHFFFAOYSA-N 340.879 5.056 0 1 EKAF Cc1cccc2c1cc1n2-c2ccccc2N[C@@H]1c1ccc(O)cc1 71341011 QOZLHKCUCCTRFB-JOCHJYFZSA-N 326.399 5.159 0 1 EKAF CCCCc1ccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)cc1 82167603 FRGPCLLHUTVPAG-NRFANRHFSA-N 343.474 5.586 0 1 EKAF Cc1nnc(Cc2cccc(Oc3cc(C)c(Cl)c(C)c3)c2)o1 95584594 VODTUPJDTMPCJY-UHFFFAOYSA-N 328.799 5.031 0 1 EKAF Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1C 95593449 OCEULPGNJHJWSZ-QFIPXVFZSA-N 346.426 5.045 0 1 EKAF Cc1cccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103295108 OYKOJWWFTIHCEU-UHFFFAOYSA-N 343.352 5.523 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\Cc1c(C)cc(O)cc1O 205890323 JWDIUXFSIWOGDP-ZCCSIIRNSA-N 328.496 6.368 0 1 EKAF CC[C@@H](C)C(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1-c1ccccc1 221356777 ZPUCMXMFVQSGQE-GFCCVEGCSA-N 335.403 5.070 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(F)c2)s1 299865133 NIDADIJXABEQOQ-UHFFFAOYSA-N 346.471 5.172 0 1 EKAF COc1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cc1C 586878946 NBORGPMDDWNUCN-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF Fc1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1Br 586880073 KUDNWTCMVHDJRF-UHFFFAOYSA-N 345.215 5.399 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]c3ccccc13)CC2=O 587479772 AHZGOBFMRVOMGW-QFIPXVFZSA-N 349.430 5.097 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)s3)c2c1 587642280 MJWAYBVSWITRGB-SNVBAGLBSA-N 347.430 6.220 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)F)c2c1 587643164 ZFXLVTXMYLUCKG-LBPRGKRZSA-N 345.364 6.093 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccco3)c2c1 587644146 ODCZHRUMXNJXEE-AWEZNQCLSA-N 344.414 5.567 0 1 EKAF C/C(=C/c1nc2cc(F)cc(Br)c2[nH]1)C1CCCCC1 587967171 IHQALKIBWGQLJB-YFHOEESVSA-N 337.236 5.448 0 1 EKAF CC[C@H](C)c1ccc([C@]2(CC)NCCc3ccc(F)c(C)c32)cc1 962091090 LFICICWAYYZKFA-NYHFZMIOSA-N 325.471 5.447 0 1 EKAF COC(=O)c1cc(OC)c2c3c1[C@H](C=C(C)C)C[C@H](C)[C@H]3CC[C@H]2C 2356515113 AUCRCYRJNKCLRT-QKPAOTATSA-N 342.479 5.552 0 1 EKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1 72134980 IHLYXHVEFQZMBE-UHFFFAOYSA-N 338.863 5.615 0 3 EKAF Cc1ccc[n+](CCCCCCCCCCC[n+]2cccc(C)c2)c1 13859951 XQAJRBWWYYVUTP-UHFFFAOYSA-N 340.555 5.090 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCOC[C@H](O)CO 15261830 CBKUIYYARLOKAP-LEWJYISDSA-N 344.580 5.474 0 1 EKAF biogenic CCC[C@@]1(c2ccccc2)OC2(CCC(N(C)C)CC2)c2ccccc21 27711956 ONBIEUZATWULEM-BOYUCYPVSA-N 349.518 5.460 0 1 EKAF CCCCNC(=O)OCCCCCCCCCCCCCCO 28352723 AMUFQQQYBWMZNN-UHFFFAOYSA-N 329.525 5.186 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C 36294582 BNNTYBVRZLELKE-RTBURBONSA-N 334.459 5.979 0 1 EKAF CC(C)C(=O)Nc1ccc2sc(-c3ccc(Cl)cc3)nc2c1 71296252 ZFYPPDHAAQZNCQ-UHFFFAOYSA-N 330.840 5.211 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@]1(C)CC[C@H](C(C)(C)O)[C@@H]2C1 100772920 VAFPWCIGDGFJNB-HKARXFIJSA-N 349.474 5.435 0 1 EKAF endogenous,in-man CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C 238731174 LMNZSAWWQSPBNF-SIKLNZKXSA-N 328.496 5.515 0 1 EKAF COc1cc(C)c2c(c1)CC[C@](C)(CC/C=C(\C)CCC=C(C)C)O2 238785743 ZEHCEKRAEHFZNS-KUDIEGTJSA-N 342.523 6.560 0 1 EKAF Cc1c2nc3ccccc3c-2ccn1Cc1ccc(C(F)(F)F)cc1 473128123 YNHCUACJUQSSSG-UHFFFAOYSA-N 340.348 5.517 0 1 EKAF COc1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048223 GJZSKVLAOLGPLK-UWVGGRQHSA-N 333.218 5.149 0 1 EKAF Cc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c(C)n1 587083475 WCBHFHRSSUJCQB-UHFFFAOYSA-N 343.217 5.097 0 1 EKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)ccc2F)cc1 587139810 YAZVPHAKFZECOT-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587152888 FZYVBTXVEYJLRG-UHFFFAOYSA-N 342.417 5.915 0 1 EKAF CCc1ccc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521435 FRBCTTOENGWOLD-HSZRJFAPSA-N 334.459 5.399 0 1 EKAF O=C1C[C@@H](c2ccc(-c3ccccc3)o2)Oc2c1ccc1c2CCCC1 587529354 AFVBQWJMIIAWER-QFIPXVFZSA-N 344.410 5.532 0 1 EKAF Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587627846 BRXFUPIPAXDYPS-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630098 RJPNEHAMQZGIHK-UHFFFAOYSA-N 343.707 5.834 0 1 EKAF Fc1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c12 587634050 PYVLUHRHNXMSKR-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCCCC2)N1 587822065 ZISPTMHFSFFIGI-DIFFPNOSSA-N 340.280 5.134 0 1 EKAF COc1cc(OC)cc(-c2nc(-c3ccc(SC)cc3)cs2)c1 587925096 OBTSGNOMLAIGQQ-UHFFFAOYSA-N 343.473 5.216 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(F)c(C)cc3[nH]2)cc1 587930927 IBGUXBSMFGHGBZ-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF Cc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1C 587949200 AWQQVUPHZKVECU-FYWRMAATSA-N 340.426 6.142 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2cc(F)cnc2[nH]1 587957763 TVGXZFJUHJESTM-UHFFFAOYSA-N 349.450 5.015 0 1 EKAF Cc1c(Br)ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c12 587968461 DLWJEPROWCAXPO-VXGBXAGGSA-N 335.289 5.564 0 1 EKAF CCCCN(C)CCCCC(=O)n1c2ccccc2c2ccccc21 653699285 YLHFKYGBTDWTGD-UHFFFAOYSA-N 336.479 5.337 0 1 EKAF O=C(Nc1cccc(-c2ccc(F)cc2)c1)OCC1CCCCC1 1857756956 UMAPPYAHUFCYDI-UHFFFAOYSA-N 327.399 5.622 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)C[C@H]4[C@H]2C[C@H]1C2(C)C 2356559459 DFVPLEHWOLQFJU-KOCGSJPCSA-N 331.459 5.930 0 1 EKAF CCC(C)=CC(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C 2356681272 OJGMISWRBRJHLH-UHFFFAOYSA-N 328.452 5.587 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OC 13302655 KEQVPNIOSICVBG-HOIFWPIMSA-N 346.511 5.699 0 1 EKAF biogenic,in-vitro COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 32225565 QDSWHJNTSPBQME-CEDBRAGKSA-N 330.468 5.164 0 1 EKAF biogenic CN1CCCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 36161054 RDCAIAQIDQZKDR-HXUWFJFHSA-N 335.426 5.040 0 1 EKAF C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@@]21C 37538942 HGALRQOZWPGLJI-RDXQTENMSA-N 348.527 5.044 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(C)c(CC=C(C)C)c1O 38541533 XGLWDZCGSBTQLD-GZTJUZNOSA-N 328.496 6.150 0 1 EKAF Cc1ccc(C(C)C)c(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c1 40835757 AIPLIJNNAZABNU-UHFFFAOYSA-N 347.241 6.199 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@@H]1CC[C@H]3O1 72103043 PXSMEPRWQNYAIL-UXHICEINSA-N 331.459 6.049 0 1 EKAF CCN[C@@]1(c2cccc(C)c2)OC(C)(C)c2cccc3cccc1c23 73298668 RIDRBCLMWKJHJX-QHCPKHFHSA-N 331.459 5.224 0 1 EKAF c1ccc(CCCNCCN(c2ccccc2)c2ccccc2)cc1 84759522 JPCFVWGPQMKFOY-UHFFFAOYSA-N 330.475 5.047 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3ccsc3)cccc21 144797108 VFKXVKMEXRVTPZ-KRWDZBQOSA-N 332.346 5.194 0 1 EKAF c1ccc(CCCN2CCC3(CCCc4sccc43)CC2)cc1 169324129 GGGJNRSDLKMSBI-UHFFFAOYSA-N 325.521 5.051 0 1 EKAF COc1cccc(-c2c(C)c(CSC)nc3c2oc2ccccc23)c1 587365341 LKHPSGBWWOXYDH-UHFFFAOYSA-N 349.455 5.828 0 1 EKAF CCCC[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516618 YQIDGCLJQGZLFG-QFIPXVFZSA-N 335.447 5.011 0 1 EKAF Cc1ccc2oc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587532245 KAMVHPQBTDBOEH-OAQYLSRUSA-N 346.426 5.635 0 1 EKAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2ccc([C@@H](C)CC)cc12 587640630 HHDXOWHJOPYZOL-NSHDSACASA-N 341.373 5.196 0 1 EKAF CC/C(=C/c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587967488 OCWLNYNNYRKAHG-RAXLEYEMSA-N 330.353 5.841 0 1 EKAF COc1ccc2c(c1)O[C@H](c1ccccc1)[C@H]2c1ccc(F)c(F)c1 1857634421 FBDASCMVNLCAQQ-LEWJYISDSA-N 338.353 5.239 0 1 EKAF C[C@H](NC(=O)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1)c1ccccc1 1857772325 CZZMLALOKXNFIA-IPELMVKDSA-N 343.417 5.083 0 1 EKAF CCCN(CCC)c1c(C)cc(-c2c(C)cc(C)cc2OC)cc1C 13536102 MILHNOUPFRDBLO-UHFFFAOYSA-N 339.523 6.222 0 1 EKAF CC(C)(C)c1ccc(COC(=O)Nc2cccc3cnccc23)cc1 13608768 RICVVBNMZMLYBT-UHFFFAOYSA-N 334.419 5.281 0 1 EKAF CCCC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2 13741442 CNSKLJKHQGIUGM-KRWDZBQOSA-N 340.463 5.327 0 1 EKAF COc1cc(O)cc2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)CC2 15120158 AGTZADIUWFBQKI-IHSQGBLNSA-N 344.495 5.957 0 1 EKAF C[C@@H]1C[C@H](Nc2cncc(Oc3ccc(F)cc3)n2)CC(C)(C)C1 82068832 HOVMFORTAOILDW-HIFRSBDPSA-N 329.419 5.035 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1ccccc1Cl)C2 100834381 TWLKFPACEDMNGQ-CBGDNZLLSA-N 341.882 5.071 0 1 EKAF CC[C@@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273512 SMXNSFMMSIFTJF-JOCHJYFZSA-N 344.458 5.498 0 1 EKAF C[C@@]12C[C@](C)(C=C1/C=C/c1ccccc1)C(=O)C[C@@H]2c1ccccc1 169293366 LGLMIMABSGWABG-WOBWJCACSA-N 328.455 5.799 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H](C4)C1(C)C)-c1ccccc1C2=O 587101334 SEWLGMZEWWGYBD-LPHOPBHVSA-N 325.411 5.050 0 1 EKAF Cc1sc(-c2nc3cccc4c3c(c2C)CC4)cc1Br 587217459 WQFTZCDNPSTLJU-UHFFFAOYSA-N 344.277 5.441 0 1 EKAF O=C1C[C@H](c2ccc(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587503388 GTLSOSNSRSZWGB-GOSISDBHSA-N 330.786 5.064 0 1 EKAF C[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509066 WVRIAWGYFZFPOU-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF CCCCC(CCCC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520927 BHURSLIJHZREIF-NRFANRHFSA-N 328.496 5.896 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(C(C)=O)c2c1 587639568 ABBMGMQNGDMQDF-NSHDSACASA-N 341.838 5.910 0 1 EKAF CCC[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814981 XIBJHAVOFIJJJH-PXAZEXFGSA-N 342.296 5.164 0 1 EKAF CC(C)Oc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587921487 YYHZIHOFBYLQMN-UHFFFAOYSA-N 329.852 5.918 0 1 EKAF Fc1ccc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F 587922756 ZSJSYRVVYYHPAK-UHFFFAOYSA-N 341.304 5.774 0 1 EKAF C/C(=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C1CCCCC1 587969531 YYKFDWHCEBWBKU-JXMROGBWSA-N 326.337 5.704 0 1 EKAF Cc1ccc(Cl)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1F 963103902 OKFGXCOOZKYRLQ-AUUYWEPGSA-N 333.809 5.037 0 1 EKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C(C)C)c2cc(C)c(OC)cc2[C@H]1C 2356389067 FVXRNEBVBKNUDR-JXXFODFXSA-N 330.468 5.128 0 1 EKAF CCCCC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356519328 WSNNRICCQOXNBM-CGGXXNKWSA-N 334.544 5.065 0 1 EKAF Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)cc1 19535005 ZNXMBDFSVCVSTI-JOCHJYFZSA-N 346.405 5.048 0 3 EKAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(F)c1 4254512 YCLZRYHJGKMMHR-UHFFFAOYSA-N 347.216 5.417 0 1 EKAF CC(C)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684417 VMRIQAPFNJVYQI-UHFFFAOYSA-N 340.430 5.324 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)N1CCC([C@@H](C)CO)CC1 13895056 CCOUQBSRJCGJNY-HSALFYBXSA-N 325.581 5.348 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C/CCC(=O)O 27643197 ZHBVYDMSPDDAKE-SSDWLMHNSA-N 344.495 5.520 0 1 EKAF in-man CSC[C@H](Cc1ccccc1)Nc1nc2cc(C(C)C)ccc2o1 28002193 JBJSHBGKEHMLPA-KRWDZBQOSA-N 340.492 5.337 0 1 EKAF CC(C)(C)c1ccc(SC[C@@H](c2ccccn2)c2c[nH]cn2)cc1 64564627 UNQMLUWBMWGIRY-KRWDZBQOSA-N 337.492 5.026 0 1 EKAF CC(C)C[C@@H](c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1 71334747 LMNDSUFFBNSTSB-FQEVSTJZSA-N 342.870 5.800 0 1 EKAF Fc1ccccc1[C@@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 72186494 RWSXQDGYJOCILV-SFHVURJKSA-N 331.312 5.420 0 1 EKAF Oc1ccc(-c2cc(-c3cccc(O)c3)cc(-c3ccccc3)n2)cc1 82149897 IWIQKNJUWZASAA-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF CCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84615229 UBXQVTPWWLPNGM-UHFFFAOYSA-N 347.527 5.233 0 1 EKAF COc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1OC 169350541 QJYBIVLEAFCQOP-UHFFFAOYSA-N 331.371 5.179 0 1 EKAF FC(F)(F)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587114390 ZZLLMZJZAQWQDB-UHFFFAOYSA-N 330.231 5.268 0 1 EKAF Cc1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162305 VDEBNNCAMWJAKA-STQMWFEESA-N 345.215 5.044 0 1 EKAF CC(C)C[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587208795 ZKEQSODBRJMKCE-OAHLLOKOSA-N 341.454 5.597 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCC3)c1 587365898 JNWMJBUCDVXHEF-UHFFFAOYSA-N 343.426 5.926 0 1 EKAF C[C@@H](CC1CCCCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526853 UFLKTZCDVHFCEC-BTYIYWSLSA-N 326.480 5.506 0 1 EKAF CC1(C)CCC(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 587960732 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338.403 5.611 0 1 EKAF Cc1nccc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 587063788 XETOBQKADWKMMI-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF Cc1coc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102235 UHQVSZPUZKHZTM-UHFFFAOYSA-N 339.394 5.631 0 1 EKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(F)c3[nH]2)c1 587239028 SNLDSHZFRVWTAN-UHFFFAOYSA-N 346.409 5.312 0 1 EKAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587623937 CEVSOWHTCIZWKR-UHFFFAOYSA-N 347.245 5.652 0 1 EKAF Fc1cc2c(C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl 587629597 DCHDTDHNYFXCKK-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(C)C)c(Cc3ccc(Cl)cc3)c2c1 587640665 HZPTZPRWQZDYCO-HNNXBMFYSA-N 339.910 7.049 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 587780435 UJMVAGASYMRMOS-UHFFFAOYSA-N 348.833 5.949 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CC(C)(C)c1cc(OC)ccc12 963226971 IYHMMGAFRPRWGZ-BXKMTCNYSA-N 349.518 5.277 0 1 EKAF Cc1cccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)c1 15936203 AWOGJASZKTZUES-UHFFFAOYSA-N 344.463 5.139 0 3 EKAF Clc1ccc(-c2nc(-c3ccc(Cl)cc3)[s+]s2)cc1 6041588 OIMLXZTWLDXXHR-UHFFFAOYSA-N 325.265 6.127 0 1 EKAF CCCSc1nnc(-c2cc(C(C)C)c(O)c(C(C)C)c2)s1 13796306 JPRXWEJQPJHAPD-UHFFFAOYSA-N 336.526 5.660 0 1 EKAF CC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638917 BCTXZWCPBLWCRV-QJJBBLQJSA-N 344.495 5.760 0 1 EKAF endogenous,in-man O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1 28135897 NJTITWJIQQDCQO-UHFFFAOYSA-N 336.435 5.379 0 1 EKAF Cc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 34803648 ZZFYSIWCDNANCX-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF Cc1c2c(c3cc(/C=C/c4cccnc4)oc3c1C)CCC(C)(C)O2 42963789 CUZZSZYZRAXSHT-BQYQJAHWSA-N 333.431 5.719 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1cccc(F)c1)N2 49088471 TUTZJRZGILWWMS-WMQCIHAUSA-N 339.454 5.758 0 1 EKAF c1ccc(-c2cccc(-c3cc(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncn3)c2)cc1 82162233 UMJGOGWRVQDZAK-QGCDCVKKSA-N 341.458 5.411 0 1 EKAF Cc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050139 OSBROBZMKDTPBW-ZJUUUORDSA-N 335.209 5.588 0 1 EKAF O=C1c2ccccc2-c2cc(CCC(F)=C(F)F)nc3cccc1c23 587104534 SXCNFIWFUNHHRE-UHFFFAOYSA-N 339.316 5.456 0 1 EKAF COc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)c(F)c2)c(F)c1 587150262 BTHUVWPYUFSJJH-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C\c3ccccc3)nc3cccc1c23 587205617 DKAWOTWHBHITLM-YPKPFQOOSA-N 333.390 5.617 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)CC[C@@H](C)CC(C)(C)C)O2 587406784 VETWSYIWCSYVAJ-FRIZHTMISA-N 331.500 5.400 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C)sc1C)CC2=O 587493529 RSCROCZICMRQFV-HXUWFJFHSA-N 344.476 5.294 0 1 EKAF C[C@@H]1[C@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526065 QRYONBCZKPLKRB-OFSQETHSSA-N 332.443 5.093 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)OC)c2c1 587642016 LKDYLLAVUNDKHZ-GFCCVEGCSA-N 325.383 5.274 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(C(=O)C(F)F)c2c1 587642731 PTZQMVPLPKUWOS-ZDUSSCGKSA-N 341.401 6.105 0 1 EKAF Cc1ccc2oc(=O)c(-c3ccccc3OCc3ccccc3)cc2c1 653757240 YXYNWGWBPHCSTA-UHFFFAOYSA-N 342.394 5.347 0 1 EKAF Clc1ccccc1-c1cc(-c2ccoc2)c2oc3ccccc3c2n1 1772635212 XQMILZZXDWCBRG-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF CC1=CCC[C@]2(C)[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(O)ccc1O 2356509552 TXJPJZWNYUQWCP-XUFNMVPLSA-N 328.496 5.829 0 1 EKAF CC=CC=CCCCCCCCCCCC[C@]1(OC)C=CC(=O)O1 2356524178 TXXJITWKACQCHC-OAQYLSRUSA-N 334.500 5.866 0 1 EKAF CC(C)c1cccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)c1 61903203 JHVJJLFXMWYGDY-FQEVSTJZSA-N 341.451 5.328 0 3 EKAF CCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13835217 JSFQYQGKKAJNON-VROINQGHSA-N 342.523 5.560 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2O)n1 49089832 HLWCUDVVLCBGPZ-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)C(C)(C)C)cc1 61942356 HTUPCAPIZVAUOT-UTKZUKDTSA-N 349.474 5.169 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(O)cc3)c2)cc1 73198517 RDEGKQCBPZLPGE-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF c1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@H](C2)S3)cc1 101389036 BNMCKPDOHSHTAN-DYESRHJHSA-N 345.467 5.920 0 1 EKAF CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccccc1 167624815 CLOPHTQFLXAHNG-HSZRJFAPSA-N 333.475 5.174 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@@H](C)/C=C/[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 195423871 QPIUBKNTZMBLLI-GGKAOBQUSA-N 348.527 5.044 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586902586 CFKJZLCPRUNUNK-UHFFFAOYSA-N 348.299 5.696 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCCCCCC3 586991358 UGVMZGHNLNNFBO-UHFFFAOYSA-N 343.426 5.201 0 1 EKAF Cc1ccc(-c2nc(-c3nc4cccc(Cl)c4[nH]3)c(C)s2)cc1 587013192 JRQZJVSAKPFWSM-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF FC(F)(F)c1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Cl 587025659 MAINJDHOPUSQAU-UPHRSURJSA-N 328.746 5.467 0 1 EKAF Cc1c(Cc2ccc(Cl)cc2Cl)nc2cccc3c2c1CC3 587209666 VSPPMUOVZYYPDI-UHFFFAOYSA-N 328.242 5.539 0 1 EKAF O=C(c1ccc(-c2ccccc2F)o1)c1coc2ccc(Cl)cc12 587277791 CDKWVWIKKYKMOJ-UHFFFAOYSA-N 340.737 5.716 0 1 EKAF CCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598526 BLHQZLVGZMMCLX-GHTZIAJQSA-N 340.419 5.083 0 1 EKAF COc1c(-c2cccc(Cl)c2F)[nH]c2ccc(F)c(Cl)c12 587629030 CXBHQOLTPFCTRE-UHFFFAOYSA-N 328.145 5.429 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)CC(C)C)c2c1 587640644 HOZNIXPPUSICDJ-LLVKDONJSA-N 325.374 5.929 0 1 EKAF Fc1c(Cl)cc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1F 587969364 RQOBZHBPAWGXJR-HJWRWDBZSA-N 340.760 5.818 0 1 EKAF O=C(c1ccc(Cl)cc1Cl)c1nccc2c1[nH]c1ccccc12 653804961 CZWDXGDESWGHRM-UHFFFAOYSA-N 341.197 5.254 0 1 EKAF CCCCC=CCCCCCCCCCCCc1cccc(O)c1 2356766724 YEEXSDBYWJYVCY-UHFFFAOYSA-N 330.556 7.582 0 1 EKAF COc1ccc(-c2nc3c4ccccc4ccc3n2C(C)(C)C)cc1 27656351 CFNCTJBFDABOFK-UHFFFAOYSA-N 330.431 5.620 0 1 EKAF Cc1nc2nc(-c3ccccc3)sc2cc1-c1cccc(Cl)c1 28710075 TWULSYGRRZKWCI-UHFFFAOYSA-N 336.847 5.987 0 1 EKAF FC(F)(F)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 49111556 DFSNLFKINFSIFO-WBAXXEDZSA-N 333.353 5.340 0 1 EKAF CCN(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1C 72142263 FOBIACYWLKSNJY-UHFFFAOYSA-N 326.827 5.330 0 1 EKAF CC(C)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84759433 MZWUJUVHDZLGHX-MRXNPFEDSA-N 325.399 5.123 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@](C)(CCC=C(C)C)C=C2 95580522 UAJYKGPSRWOQCL-SZNDQCEHSA-N 344.451 5.237 0 1 EKAF Clc1ccccc1COc1ccc([C@@H](C2CC2)n2ccnc2)cc1 96938128 QHNCYQLVTRZTPT-HXUWFJFHSA-N 338.838 5.115 0 1 EKAF CC(=O)O[C@H]1C[C@H]2CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C[C@@]2(C)O 169664852 GXXLLEDKYVEOQW-GMDHYMKOSA-N 348.527 5.332 0 1 EKAF C[C@@H]1[C@@H](NCc2coc(-c3cccc4ccccc34)n2)CCC[C@H]1C 299810882 SGASSMMBMACOAI-XFQAVAEZSA-N 334.463 5.409 0 1 EKAF Cc1cc(C)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587051050 RMIKQHDMESNBSE-NWDGAFQWSA-N 331.246 5.758 0 1 EKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587099472 KIXVLLOLKIQFAD-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF CC(C)[C@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587207874 OFDMFCJREWQCCC-OAHLLOKOSA-N 341.454 5.597 0 1 EKAF O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587501535 BFRYUMZMPOGQBS-GOSISDBHSA-N 347.241 5.579 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc2c(c1)CCCC2 963234754 VRKMYWOJFUNGDI-KOSHJBKYSA-N 333.519 5.486 0 1 EKAF Clc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 1772598419 GKJZXTZJGGWCFQ-UHFFFAOYSA-N 332.794 5.089 0 1 EKAF N=C(N)c1ccc(-c2ccc(-c3ccc4ccccc4c3)s2)s1 1857570060 GIGDMLCTBVLVAO-UHFFFAOYSA-N 334.469 5.581 0 1 EKAF CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2F)C1 1911575612 RLXZAYUUXHINJQ-SFHVURJKSA-N 325.471 5.472 0 1 EKAF CC1(C)OC[C@](C)(c2cccc(OCc3ccc4ccccc4c3)c2)O1 3778621 AIRZHPDCMTXKGD-HSZRJFAPSA-N 348.442 5.417 0 1 EKAF CCNC(=O)C[C@@H](C)CCC[C@H](C)CCC1=C(C)CCCC1(C)C 6385256 OILOTJCBEZVVOB-ROUUACIJSA-N 335.576 6.262 0 1 EKAF c1ccc(CN2CCC(CCCc3noc4ccccc34)CC2)cc1 13745783 WNFJUFWSHLTWLJ-UHFFFAOYSA-N 334.463 5.063 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2OC 14410904 KEQVPNIOSICVBG-DRSNIGMVSA-N 346.511 5.699 0 1 EKAF biogenic CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF 26981866 ITMSLOTUVIPTJJ-AFSLFLIVSA-N 335.507 5.828 0 1 EKAF COc1ccc(-c2nc(-c3ccccc3)nc3ccc(C)cc23)cc1 28385670 FOBXRZXFVSYDPF-UHFFFAOYSA-N 326.399 5.281 0 1 EKAF CCCC(=O)Nc1c2c(nc3ccccc13)CC[C@@H](c1ccccc1)C2 29307827 LGJBNGNHFJSLDJ-QGZVFWFLSA-N 344.458 5.246 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(C)=C/C=C\1C(C)C 34235812 RTEQLOHRVQLSLS-LLGRKWFYSA-N 346.511 5.515 0 1 EKAF FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cn1 45303340 OXUXUEMXAYHJBG-UHFFFAOYSA-N 347.218 5.004 0 1 EKAF C[C@@H](c1ccccc1)N1COc2ccc3c4ccccc4n(C)c3c2C1 49807656 FPNINIRFPUYKJV-INIZCTEOSA-N 342.442 5.245 0 1 EKAF CC1(C)[C@H](c2ccccc2)[C@]12CC[C@@]1(C2=O)[C@H](c2ccccc2)C1(C)C 73294688 KXLWBFPVIVAVFT-IKVMQTKTSA-N 344.498 5.969 0 1 EKAF O=C(C[C@@H](Nc1ccccc1)c1ccccc1)c1cc2ccccc2o1 103196389 ZOYRTCRIAFMWIM-HXUWFJFHSA-N 341.410 5.859 0 1 EKAF Brc1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586879734 HYRIDFXGOUELCA-UHFFFAOYSA-N 327.225 5.260 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2cccc(Br)c2[nH]1 586962757 HHUWBSKDSSIKAW-NSHDSACASA-N 347.281 5.320 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2n1 587052035 VPLBEFWVGQQIQE-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF Cc1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1C(F)(F)F 587095825 WXTBMHSNAZWQOW-UHFFFAOYSA-N 341.336 5.029 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)c1cccc(Cl)c1)CC2=O 587461975 MBUHKCWACCIBDI-HXPMCKFVSA-N 344.838 5.136 0 1 EKAF O=C1C[C@H]([C@H]2CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587525298 OBDRFNIAKWTPCZ-NZQKXSOJSA-N 346.470 5.409 0 1 EKAF CC[C@]1(Cc2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525859 SGINIZUBXXVSMZ-QHCPKHFHSA-N 334.459 5.231 0 1 EKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)cc1 587634185 DJMNTHBGXQNELX-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3F)c(C)c2c1 587639837 DUAWRDXRQQNHOQ-LLVKDONJSA-N 349.371 6.815 0 1 EKAF Cc1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(Br)c1 587923220 VXUWAKXNBDRNPX-UHFFFAOYSA-N 348.240 5.687 0 1 EKAF C/C(=C/c1nc2cc(Br)c(C)nc2[nH]1)C1CCCCC1 587968804 UKWOCMLPVATHIM-NTMALXAHSA-N 334.261 5.012 0 1 EKAF Cc1c(F)ccc2c1[C@H](C=C(c1ccccc1)c1ccccc1)NCC2 962297522 JNJMCVVBOADLGZ-QHCPKHFHSA-N 343.445 5.453 0 1 EKAF Cc1ccc([C@@]2(C)c3ccsc3CCN2Cc2cccnc2)cc1C 962994579 KYCCAZRVVRNDMX-QFIPXVFZSA-N 348.515 5.082 0 1 EKAF C[C@@]1(CCc2ccsc2)NCCc2c(Cl)cc(Cl)cc21 963112944 UCMWQRDOYMMKNN-INIZCTEOSA-N 326.292 5.049 0 1 EKAF Clc1ccc([C@@H]2CC[C@]3(C2)NCCc2cc(Cl)ccc23)cc1 963390384 IUPRUWJBBYZTKO-DNVCBOLYSA-N 332.274 5.302 0 1 EKAF O=C(Nc1nccc2cc(-c3c(Cl)cccc3Cl)oc12)C1CC1 1772619879 LBMJDENXUDWENA-UHFFFAOYSA-N 347.201 5.150 0 1 EKAF Cc1cc(C)c2sc(NC(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)nc2c1 1857771814 XGDFSTRJWJEPKI-OCCSQVGLSA-N 330.497 5.314 0 1 EKAF Oc1cnc(Cc2c[nH]c3ccccc23)cc1-c1c[nH]c2ccccc12 2356322906 DCDRAIPBJLUPLW-UHFFFAOYSA-N 339.398 5.008 0 1 EKAF CC(=C[C@H]1CC(=CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356534204 YHLJEGITRQRPJZ-FQEVSTJZSA-N 340.419 5.016 0 1 EKAF CC(C)c1ccc(S[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604922 BDFAXYGGPHUXRR-KRWDZBQOSA-N 334.868 5.251 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC[C@@H]2C 26381523 KLRDHDUDDBEDKO-XERWBJCMSA-N 334.459 6.120 0 1 EKAF Cc1ccc(C(C)C)cc2c(C)c(/C=C/c3ccc(C(=O)O)cc3)cc1-2 26842414 FXDXAOINDREJGT-XYOKQWHBSA-N 344.454 6.400 0 1 EKAF CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccccc12 29488047 JZVDKXFZXDFLFH-UHFFFAOYSA-N 327.383 5.199 0 1 EKAF FCCC[C@H]1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21 45320679 NWOOQMRIUHZAOU-OAQYLSRUSA-N 345.502 5.379 0 1 EKAF c1ccc([C@@H]2C[C@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71295431 WEFIEUNJRSOGIZ-SFTDATJTSA-N 326.399 5.150 0 1 EKAF c1coc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1 72175983 GNJGLGCFWTVKHY-UHFFFAOYSA-N 331.396 5.630 0 1 EKAF Clc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)co1 72180627 XVZJUGJINNLDBY-LSDHHAIUSA-N 330.859 5.007 0 1 EKAF Nc1sc2ccccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 223028640 DSTUXLXRYDDCRN-UHFFFAOYSA-N 342.773 5.899 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587028775 WMSGZNSEJQUYSH-UHFFFAOYSA-N 336.464 5.287 0 1 EKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 587242549 VQNHXSVWDWDVDX-UHFFFAOYSA-N 341.842 5.258 0 1 EKAF O=C1C[C@@]2(CC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528222 YZGIILFYWMZOPT-JPYJTQIMSA-N 332.443 5.237 0 1 EKAF COc1ccc2oc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587533256 PCBXMUDMACOCGL-NRFANRHFSA-N 348.398 5.027 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1Cl 587628161 JBZAPJKUGIZUDP-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632701 IDOJVLVGXVQTRG-UHFFFAOYSA-N 349.792 5.858 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587930834 GRRGBZKCUMXZGE-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(Br)c(F)c3[nH]2)CC1 587960722 AJHBAAQARDAKHS-UHFFFAOYSA-N 339.252 5.223 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(Cc2ccccc2)[nH]1 963245088 ZDTWYMYSLJREAR-HOYKHHGWSA-N 344.502 5.352 0 1 EKAF c1ccc2nc(Nc3nc(-c4cc5ccccc5o4)cs3)ccc2c1 1772583979 ZGOVKZGJZCELGF-UHFFFAOYSA-N 343.411 5.848 0 1 EKAF CC[C@@H](C)c1ccc(N2CCN(c3ccc([C@H](C)CC)cc3)C2=N)cc1 13780652 YRZYLLYQZAIQRS-QZTJIDSGSA-N 349.522 5.975 0 1 EKAF CC(=O)OC[C@]12CC[C@@]3(C)CC=C(C)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C 36377491 JTRPYFROXUECQY-CTWRKMMKSA-N 330.512 5.541 0 1 EKAF biogenic,in-vitro CC(C)(C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=S)cc1 64560526 PDNPCCPLNZZUAV-UHFFFAOYSA-N 345.851 5.264 0 1 EKAF CC1(C)C[C@@](CCNc2cccc(Cl)c2)(c2ccccc2)CCO1 72110093 POOGSHLRUZCCQK-NRFANRHFSA-N 343.898 5.669 0 1 EKAF COc1ccc(-c2ccnc(Nc3ccc(Cl)cc3Cl)n2)cc1 103300947 ULERWCNJDXHBHV-UHFFFAOYSA-N 346.217 5.203 0 1 EKAF COc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)cc1 144144689 RCUVUYLUPUYTNG-UHFFFAOYSA-N 334.806 5.355 0 1 EKAF CC(C)Cc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)cc1 210795629 TVBJDDOGYNSNLZ-LDADJPATSA-N 338.834 5.520 0 1 EKAF COc1c2c(c(CC(=O)CC(C)C)c3c(C)coc13)[C@@H](C)CCC2 238747789 MFSQGLQSRFRBTC-ZDUSSCGKSA-N 328.452 5.347 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1 586880416 MTIFLWIFJYTPDV-UHFFFAOYSA-N 340.426 5.716 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586963065 JLRBRAPOHZZUFM-SNVBAGLBSA-N 337.275 5.864 0 1 EKAF Cc1cc(F)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980159 LPYCOPORYQTQGX-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF CC(C)Oc1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152700 DEVRTFJWUQXZGM-UHFFFAOYSA-N 346.405 5.823 0 1 EKAF Clc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 587209582 SFNYMJFMKYGFHK-UHFFFAOYSA-N 341.841 6.321 0 1 EKAF Cc1nc(-c2ccc(F)cc2)oc1-c1cc2c3c(cccc3n1)CC2 587212103 CGEYRMKVIQAITB-UHFFFAOYSA-N 330.362 5.103 0 1 EKAF O=C(c1ccc(Oc2ccccc2)nc1)c1coc2ccc(Cl)cc12 587278759 SPJBKJJINSFWOR-UHFFFAOYSA-N 349.773 5.505 0 1 EKAF CCc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587410972 HYQZEZGERNJFQK-NRFANRHFSA-N 347.414 5.106 0 1 EKAF COCCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1 587920668 MXSOQSJVTVCHQK-UHFFFAOYSA-N 339.460 5.119 0 1 EKAF Cc1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cs1 1857575992 AYAACBJWHNAPHK-UHFFFAOYSA-N 342.851 6.021 0 1 EKAF O=C(c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)C1CC1 1857583850 GAAMGQQZUUWXOM-UHFFFAOYSA-N 327.786 5.075 0 1 EKAF COc1cc2[nH]c(-c3csc4ccccc34)cc2cc1-c1cnco1 13488738 KEQKXOJHDWMZAA-UHFFFAOYSA-N 346.411 5.713 0 1 EKAF Clc1sc(Cl)c2c1CCCc1cnn(Cc3ccccc3)c1-2 13537810 CQBJEPBMMZYRSM-UHFFFAOYSA-N 349.286 5.455 0 1 EKAF CN1CC=C(C2=C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 13833072 YZVNDQNRVZGAEI-IBGZPJMESA-N 339.841 5.270 0 1 EKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1[C@@H](CO)CCCC1(C)C)C=C2 14708624 NMIUKQKZXPUWON-CDMIOBSGSA-N 344.495 5.080 0 1 EKAF Cc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(C)CC4)cc1 28236106 LZSWIYSQSNUFIJ-QPTUXGOLSA-N 347.502 5.476 0 1 EKAF CC(C)(C)c1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1 34800845 LYZUCUIUVUYBJL-UHFFFAOYSA-N 327.431 5.589 0 1 EKAF in-vivo CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)NO 40504911 RIBICZLEFQTZEU-JGKLHWIESA-N 335.488 5.174 0 1 EKAF CCCSc1ccc2nc(-c3ccc(Cl)cc3Cl)cn2n1 72173229 BRKYYROYYGVZDL-UHFFFAOYSA-N 338.263 5.205 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@@](C)(CCC=C(C)C)O2 95577243 PCLLEWWERMTJCL-SPLOXXLWSA-N 346.467 5.157 0 1 EKAF CCc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2)s1 95582987 XAKVCCNKFODRRJ-FQEVSTJZSA-N 348.471 5.106 0 1 EKAF CC(C)Cc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)c(Cl)c1 103286529 OHUYOLOWLOADPU-QGZVFWFLSA-N 349.808 5.335 0 1 EKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccccc2[nH]1 587128205 IWFLDTPXGYRZBG-UHFFFAOYSA-N 327.359 5.291 0 1 EKAF CCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587366597 WUHWQFPQUMRVJH-UHFFFAOYSA-N 345.442 6.308 0 1 EKAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624737 QFOQNHQLAYAVJG-UHFFFAOYSA-N 335.781 5.749 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)cc3)c2c1 587641572 MOVQQZNFKFGPRN-NSHDSACASA-N 327.811 5.700 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)Br)c(C(C)=O)c2c1 587641621 NPRGYBWFAGGZKC-MRVPVSSYSA-N 344.199 5.328 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccccn1)C(C)(C)C 963233464 ULDGLRANRDEZRA-FDDCHVKYSA-N 336.523 5.222 0 1 EKAF COC(=O)C[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]21 1772606167 PGXBIGZYCGVZGU-KSEOMHKRSA-N 344.495 5.089 0 1 EKAF CCCCCCSc1cc(C)c(C(=O)CC[N@@]2C[C@H]2C)c(C)c1 1857612564 DETKPDOOZBSGDJ-UTKZUKDTSA-N 333.541 5.253 0 1 EKAF CC(=O)c1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 74386848 DXGMDPIWWVVEMS-UHFFFAOYSA-N 345.377 5.315 0 3 EKAF CSCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 49073002 NAVRZQPGRQBITB-UHFFFAOYSA-N 346.402 5.150 0 1 EKAF CC(C)(C)c1ccc(N[C@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 66258953 VNFHUBHFCOEIHW-IFMALSPDSA-N 335.491 5.897 0 1 EKAF C=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 73220757 LNMIMKUXSGGSCZ-UHFFFAOYSA-N 344.625 5.143 0 1 EKAF C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 103271118 RVVXKCCSTDZZFW-ZRDIBKRKSA-N 344.336 5.229 0 1 EKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2c1 586882250 XVRGFGNRPOGRON-UHFFFAOYSA-N 336.435 5.094 0 1 EKAF CC(C)=CCC[C@@H](C)c1cnc2cccc3c2c1-c1ccccc1C3=O 587206503 DYUJCMGXJCSKKJ-MRXNPFEDSA-N 341.454 6.296 0 1 EKAF CCCCc1nc2cccc(-c3cc4c5c(cccc5n3)CC4)c2o1 587213509 WUCKZOFRWIXRPH-UHFFFAOYSA-N 328.415 5.484 0 1 EKAF CC(C)(C)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534660 DOCZEDZSEJQPFN-MRXNPFEDSA-N 341.476 5.026 0 1 EKAF CCC[C@]1([C@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815068 XUTGALMOHHEENX-BWACUDIHSA-N 342.296 5.164 0 1 EKAF Cc1ccc2nc(C)cc(-n3nc4cc3Oc3ccc(F)cc3-4)c2c1 587875605 SLCBSACATDWTAK-UHFFFAOYSA-N 331.350 4.949 0 1 EKAF COc1cccc(C2(c3nc4ccc(SC)cc4[nH]3)CCCC2)c1 587932935 HYQKSAUOJIMECI-UHFFFAOYSA-N 338.476 5.154 0 1 EKAF c1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc43)c2)cc1 1857538220 XNQMDXWDOYSBMU-UHFFFAOYSA-N 349.457 5.179 0 1 EKAF CCCCCc1c(C(=O)c2ccccc2Cl)oc2cc(O)ccc12 13818642 OLPIPFIBUAVQKM-UHFFFAOYSA-N 342.822 5.756 0 1 EKAF COc1ccc(-c2ccc(-c3ccncc3)o2)cc1OC1CCCC1 26963419 ICJQTLVNQXGYND-UHFFFAOYSA-N 335.403 5.339 0 1 EKAF CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 28572016 KIIGWQOSLMNQHN-KRWDZBQOSA-N 340.854 5.329 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1Br 103174459 FQHVEIIGOKERTH-DVOMOZLQSA-N 339.273 5.067 0 1 EKAF C[C@@]12C[C@](C)(C=C1/C=C\c1ccccc1)C(=O)C[C@@H]2c1ccccc1 169355580 LGLMIMABSGWABG-PJUGHLPTSA-N 328.455 5.799 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)[C@]2(C)CCCC=C12 253665572 PFMMKGGPOLDMEE-KZMLQJFXSA-N 344.583 6.507 0 1 EKAF [C-]#[N+]c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987047 JMQPCQLJKMAOLY-UHFFFAOYSA-N 348.361 5.370 0 1 EKAF Cc1ccc2c3c(cc(Cc4ccsc4)nc13)-c1ccccc1C2=O 587101827 NMBNDEQOJSTTJK-UHFFFAOYSA-N 341.435 5.407 0 1 EKAF CCc1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1 587137562 BJWJRRGLLDOOAR-UHFFFAOYSA-N 333.204 5.002 0 1 EKAF CCCC[C@@H](CC)c1cnc2cccc3c2c1-c1ccccc1C3=O 587208016 PQTNHBNLDFLZED-OAHLLOKOSA-N 329.443 6.130 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccccc1 587208425 WGWGMLHWEXVQHT-SFHVURJKSA-N 333.390 5.134 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(C1CCCCC1)O2 587406185 QPTVHGUOOFXWFK-HSZRJFAPSA-N 349.474 5.104 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1Cl)CC2=O 587466677 LZTFXSHUJFNXIP-LJQANCHMSA-N 348.801 5.018 0 1 EKAF Cc1cc(Cl)cc2c(CCCC(=O)O)c(-c3ccc(F)cc3)[nH]c12 587624185 FSAZHMIIBDSJBP-UHFFFAOYSA-N 345.801 5.343 0 1 EKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587633600 HJOWABSSEHBCIM-UHFFFAOYSA-N 335.300 5.060 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587780609 VQVCMGUSBQLIRL-UHFFFAOYSA-N 349.821 5.344 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3c(C)ccc(C)c3[nH]2)cc1 587938545 XCGAKZHGABLBMR-FQEVSTJZSA-N 342.442 5.369 0 1 EKAF Clc1cccc(Nc2ncc(-c3ccccc3)c3ccccc23)c1 1857583433 RMEUSDQGESEFKW-UHFFFAOYSA-N 330.818 6.299 0 1 EKAF CCC=CCC=CC[C@@H](C=CC=CCCCCC(=O)OC)OC(C)=O 2356627241 BKAYLLLWYFZLCL-FQEVSTJZSA-N 348.483 5.067 0 1 EKAF CCCCC=CCCCCCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1C 2356867915 WXKNMMWRWQMSDF-YPAWHYETSA-N 347.587 6.296 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 13829933 IRFOEHYGMSKERJ-VZVVXEKASA-N 349.449 5.046 0 1 EKAF CCCCCCN(CCCCCC)C(=O)Nc1ccc(C)cc1C 26387190 LHLUTNUKWMRWBI-UHFFFAOYSA-N 332.532 6.298 0 1 EKAF CSc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29400613 GLMLLAFWCIQJNH-GOSISDBHSA-N 349.499 5.022 0 1 EKAF CCCCCCOc1cc(C(C)C)c(C(=O)CCN(C)C)cc1C 42920879 LUYHYQLYKZTDKX-UHFFFAOYSA-N 333.516 5.212 0 1 EKAF CCCCCNc1nc2c(-c3ccc(F)cc3)nc3ccccc3c2o1 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BXRHQPSPHKFKJL-UHFFFAOYSA-N 341.773 5.294 0 1 EKAF CC(C)CCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811799 HNWOCVFQVCJVDO-SJKOYZFVSA-N 342.296 5.164 0 1 EKAF CSc1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587959861 RIAJJPCHZYFKIW-UHFFFAOYSA-N 344.483 5.851 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1csc(Cl)c1Cl 963222725 CHHRRRVPWAWIOT-MEDUHNTESA-N 340.319 5.801 0 1 EKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)c1 13661959 JWYBGPLSVSRAES-IEIRFRATSA-N 349.449 5.190 0 3 EKAF SC1=NC[C@H](CC2CCCCC2)N1CCCCC1CCCCC1 15952553 GMAAOHUBPTUOMJ-IBGZPJMESA-N 336.589 5.677 0 3 EKAF Cc1cccn2c(CSCc3ccccc3)c(-c3ccccc3)nc12 27558251 IJAVITYSEVFCPI-UHFFFAOYSA-N 344.483 5.743 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc2c(c1O)C[C@H](CC=C(C)C)C(C)(C)O2 36375238 QUFMMGVKRWKOGH-KGLIPLIRSA-N 346.467 5.013 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(O[C@H](C)CC)cc2)n1 72180552 LKRQCCIJSZLURV-DLBZAZTESA-N 344.499 5.577 0 1 EKAF CC1=Nc2ccccc2C[C@@H](c2ccccc2)N1Cc1ccccc1 100886817 GCUVYGOQNQYJRC-QHCPKHFHSA-N 326.443 5.536 0 1 EKAF CC(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265734 OWJDEPLXSNLLNS-NRFANRHFSA-N 336.866 5.489 0 1 EKAF CC[C@@H](C)[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920086 HIGRNMBHEGUXBW-CFOCHCGMSA-N 346.555 5.375 0 1 EKAF CC(C)CCCCCCCCCCCCC/C=C\OC[C@@H](O)CO 238740000 DFQUASFMMMHMNW-SBCUQWKCSA-N 342.564 5.597 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCCC=C12 253855719 XMTVISLAECGBLA-RBNAMTPNSA-N 342.567 6.715 0 1 EKAF CSc1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 587066125 JKPLRQPVAFFEGQ-UHFFFAOYSA-N 346.883 5.258 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ccccc1)-c1ccccc1C2=O 587101035 QJYSPKJFDXPNGZ-LJQANCHMSA-N 347.417 5.443 0 1 EKAF O=C1C[C@@]2(CCC[C@@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587521453 CBXWMCINSSXBRD-NTKDMRAZSA-N 346.470 5.312 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(C(F)(F)F)cc1 587629748 GBGFGVFKWOVSLN-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF O=C(O)c1cccc2c(C(F)(F)F)c(-c3c[nH]c4ccccc34)[nH]c12 587638118 UGKBBEQQLFDLAD-UHFFFAOYSA-N 344.292 5.033 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccccn3)c2c1 587644187 PHZYOLGWGIHIKU-QGZVFWFLSA-N 340.470 6.719 0 1 EKAF Cc1cnc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587954807 CKWHEXSMQPNIEP-QGZVFWFLSA-N 347.849 5.294 0 1 EKAF CCC(CC)(CC)[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962697701 HQZUCBZKPNWCBS-HNAYVOBHSA-N 335.532 5.447 0 1 EKAF COc1ccc(C(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772597641 ZAYHAAFEGWJTMR-UHFFFAOYSA-N 348.467 5.534 0 1 EKAF CO[C@@H]1CCCc2nc(Nc3c(Cl)cccc3Cl)sc21 1857655711 VNRUFTCYPWSWPF-LLVKDONJSA-N 329.252 5.217 0 1 EKAF CC(=O)O[C@@H]1OCC2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356313357 WTNWTMNADOABGR-CIQXWFTPSA-N 346.511 5.577 0 1 EKAF O=C(O)[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C1=CCCC1 26737873 UMFGQMBDXVJCGT-QJUACMODSA-N 347.458 5.495 0 1 EKAF CCN(Cc1ccccc1)Cc1coc(-c2ccccc2Cl)n1 64399366 YTOIERVHMXMRQW-UHFFFAOYSA-N 326.827 5.017 0 1 EKAF FC(F)(F)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1 66251877 MEQMIUGXWBJVHN-UHFFFAOYSA-N 339.704 5.152 0 1 EKAF CCC(CC)c1nc(C)c2nc(-c3ccc(OC)cc3C)c(C)cn12 73142353 KQAKZZOVMJLFRH-UHFFFAOYSA-N 337.467 5.234 0 1 EKAF FC(F)(F)c1ccccc1-c1nnc(SCc2ccccc2)o1 95755261 ZTURXOOQJRXGND-UHFFFAOYSA-N 336.338 5.048 0 1 EKAF CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c(CC=C(C)C)c1O 141454076 WGNKBWUNUUKYBR-OUKQBFOZSA-N 348.486 6.286 0 1 EKAF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1 142990592 FGLNXNIBANRHRG-FSAOVCISSA-N 338.532 5.653 0 1 EKAF CCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 299863884 QBGYIQIAOJYHLO-JLHYYAGUSA-N 338.838 5.020 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C\c3ccccc3)nc3ccc(O)c1c23 586991100 IGUNWGMFSRTLQI-KHPPLWFESA-N 349.389 5.322 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)o1 587102232 UDNYBRBVWFVECO-UHFFFAOYSA-N 325.367 5.323 0 1 EKAF Fc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587195715 IRINUKVWSGUIOJ-UHFFFAOYSA-N 349.384 5.048 0 1 EKAF Cc1ccc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587405102 JKYWBBPURIBSOS-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C3CCC3)cc1)CC2=O 587482677 PFCKQTUIPDCKJO-OAQYLSRUSA-N 336.431 5.319 0 1 EKAF C[C@]1(c2cc(Cl)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502365 DIXQDXCDFFWXBC-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF CC(C)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccccc1 587631890 ZAEVIWOSEHSLPS-UHFFFAOYSA-N 330.790 5.336 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c2c1 587640471 DRTLTZQHFVEODX-INIZCTEOSA-N 343.445 7.155 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3C(C)C)c2c1 587643715 WTINCLAXRUKDFA-OAHLLOKOSA-N 348.490 6.366 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)cc(C)c4[nH]3)c2)c1 587933425 NRHCQMHDMOIFRY-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF COc1ccc2c(-c3ccc(-c4ccc(C)cc4)s3)cc(=O)oc2c1 1857602403 KPJHVWOGPQWAEQ-UHFFFAOYSA-N 348.423 5.506 0 1 EKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCC(=O)OC 2356649143 BBRHWQWHVYKTON-FQEVSTJZSA-N 332.484 5.052 0 1 EKAF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1cc(C(=O)O)ccc1O 2356793625 KQWNYIGNELPPHS-LRXVAGHRSA-N 342.479 5.432 0 1 EKAF COc1cc2nccc(Nc3ccc(Cl)cc3Cl)c2cc1OC 13470109 AMKPAGTWVTZQPM-UHFFFAOYSA-N 349.217 5.302 0 1 EKAF O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cc2ccccc12 26292754 JFUGCZFYEROKRS-UHFFFAOYSA-N 339.398 5.546 0 1 EKAF COc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1C(C)=N[C@H](C)C2 64446819 UYMAZDFKWHVBGQ-LLVKDONJSA-N 333.353 5.135 0 1 EKAF Cc1ccsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994445 SHIUVEOMAONOJX-UHFFFAOYSA-N 343.407 5.189 0 1 EKAF Oc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051685 SIJNUGRMYLPCMO-UHFFFAOYSA-N 345.185 5.502 0 1 EKAF Fc1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1Cl 587073918 QORLQBHRPJUHSP-UHFFFAOYSA-N 335.209 5.283 0 1 EKAF CCCC[C@@H](CO)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101774 QBHRZDURNCPBKL-HNNXBMFYSA-N 345.442 5.021 0 1 EKAF Fc1cc(Br)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 587161612 YWQPVVBIYSFOOJ-UHFFFAOYSA-N 341.183 5.285 0 1 EKAF Fc1ccc2[nH]c(-c3nc4cc5ccccc5cc4[nH]3)c(Cl)c2c1 587173961 BDUGTVMETIEFNO-UHFFFAOYSA-N 335.769 5.657 0 1 EKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587195507 KZMXRQVSQFPFRK-JTQLQIEISA-N 334.250 5.088 0 1 EKAF FC(F)(F)Sc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210635 TYMNBKYTIOGOOU-UHFFFAOYSA-N 331.362 5.612 0 1 EKAF CCC(CC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364479 BHMVADQPCZFLGI-UHFFFAOYSA-N 345.442 6.560 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C1CCC(C(C)(C)C)CC1)CC2=O 587477626 DXDXIPKZIBUXQS-WSNMIEGMSA-N 344.495 5.531 0 1 EKAF C[C@@]1(c2cnc3ccsc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587539316 VKIQWFURKVRYIZ-NRFANRHFSA-N 349.455 5.056 0 1 EKAF Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631579 PJOYASKZWPOXGQ-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)c(C)c2c1 587639698 BRQYNZQBLRLYOU-LLVKDONJSA-N 349.371 6.815 0 1 EKAF CC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956038 ROEOLPMUCFORTM-FQEVSTJZSA-N 340.426 5.140 0 1 EKAF Fc1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)c(F)c1 653739293 VLVRBNWOSPPSCP-UHFFFAOYSA-N 330.337 5.146 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)CC(C)=CCCc1ccoc1 2356509588 UVWIBVNFUUDGIS-UHFFFAOYSA-N 326.436 5.680 0 1 EKAF Cc1cccc(Nc2nc(O)c(/C=C3\C=Nc4ccccc43)s2)c1 7163864 SNTWWGXONZVQSZ-JLHYYAGUSA-N 333.416 5.157 0 1 EKAF CNc1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1 13588160 CTZLRHLEDIPBSH-UHFFFAOYSA-N 332.432 5.144 0 1 EKAF CCCCCCOc1ccc(C(=O)CCN(C)C)cc1C(C)(C)C 43065503 WHMCTDDNPUWOTF-UHFFFAOYSA-N 333.516 5.078 0 1 EKAF c1ccc(COc2ccccc2C[C@@H]2NCCC3=C2CCCC3)cc1 64491838 JDEPMAAUMYNGJB-QFIPXVFZSA-N 333.475 5.041 0 1 EKAF Cc1cccc(Nc2nc(-c3ccncc3-c3ccncc3)cs2)c1 72114816 YXZSZYUXOONMIG-UHFFFAOYSA-N 344.443 5.319 0 1 EKAF Cc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Cl 587066045 GSIMMVFRYKERAR-UHFFFAOYSA-N 349.261 5.498 0 1 EKAF Clc1ccc(-c2cnccc2-c2nc3cc(Cl)ccc3[nH]2)cc1 587073855 MNHSOXWDSNQNRO-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)c1 587922140 JBCGCNXNJVUWPO-UHFFFAOYSA-N 349.405 6.422 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3ccccc3Cl)n2)cc1 653737683 XRGKUZIMNQAYTN-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Clc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cs1 962999318 QMPFTYGUODYSSP-QGZVFWFLSA-N 346.908 5.006 0 1 EKAF Clc1ccccc1-c1cc(-c2ccco2)c2oc3ccccc3c2n1 1772620233 JJJJZGSKOQKGKP-UHFFFAOYSA-N 345.785 6.561 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]2C1(C)C 2356535622 DUYNKHFSOPGXQD-UWRIJYQHSA-N 344.495 5.268 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C 2356603282 FDYRTDQCHYCUAP-YWSMEWDHSA-N 330.512 5.517 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1C=C2C=C2CCC=C(C)CCC=C(C)CC1 2356790037 FAMFGSIYALRNBN-NRFANRHFSA-N 328.496 6.058 0 1 EKAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(-c2ccccc2)c1 3834017 NUHPZXWHNZOAKE-UHFFFAOYSA-N 348.450 5.029 0 1 EKAF CC[C@@H](COC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 11687089 CWNKUKVWCWLOSD-SFHVURJKSA-N 343.467 5.220 0 1 EKAF CCCCCC[C@H](O)C/C=C\CCCCCCCCCC(=O)O 14449847 OONXYOAWMIVMCI-RNUYOQPASA-N 326.521 5.860 0 1 EKAF Cc1[nH]c2ccccc2c1[C@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@@H]12 28759989 IQSRIXJQWPXCLO-GKCIPKSASA-N 338.838 5.374 0 1 EKAF CCC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 34502973 DLNYBTQCUMZHIJ-RNXAVOFCSA-N 332.528 5.129 0 1 EKAF CCn1c(Nc2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc21 40379745 YBZBMSDNMISELO-UHFFFAOYSA-N 340.641 5.760 0 1 EKAF CC(C)C[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 95552567 DLHMPCIOGCSHER-LJQANCHMSA-N 336.479 5.055 0 1 EKAF Fc1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1C(F)(F)F 586882844 CHNGLCXOJFCCHH-IJZKUYQOSA-N 338.348 5.189 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](CCCF)CC4)-c1ccccc1C2=O 586994897 FZIFYYWCWHWRTA-AWEZNQCLSA-N 345.417 5.534 0 1 EKAF Clc1nc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc2ccccc12 587085952 PPMFYVGMRYJVRD-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1cc(F)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113966 PMKUWEXSBPIYAY-NSHDSACASA-N 336.332 5.375 0 1 EKAF Nc1ccc2c(c1)oc1ccc(-c3cc4c5c(cccc5n3)CC4)cc12 587210993 JJSBMYFMHLAGCS-UHFFFAOYSA-N 336.394 5.482 0 1 EKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587244265 MYDYJAGBPLMSLS-UHFFFAOYSA-N 347.805 5.136 0 1 EKAF CCn1ccc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587513984 CSLSFAUHVWZERA-QFIPXVFZSA-N 345.442 5.247 0 1 EKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587634082 RLLXRDGZZVCDBP-UHFFFAOYSA-N 335.300 5.586 0 1 EKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cccc(F)c12 587634132 UGOUTMQLMLFEIA-UHFFFAOYSA-N 337.316 5.825 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2C)c(OC)c1 587931030 YCCGFAQZDAQLIW-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF Fc1cc(Cl)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958477 FJBOCHRSZZMVBV-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)cc1 71334711 DZDZAUYMZBEHFM-HSZRJFAPSA-N 326.443 5.702 0 1 EKAF C1=NC[C@@H](C23C[C@H]4C[C@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169328305 RFEDASQCPIEZHK-IVQKJHJHSA-N 348.534 5.680 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)c3c(n2)-c2ccccc2C3)c1 473247717 GHXQEEIPUQDHPD-UHFFFAOYSA-N 325.367 5.285 0 1 EKAF Fc1cc(F)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587047973 DDIAZSNEZCXRJX-DTWKUNHWSA-N 339.172 5.419 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Cl)c(C)c2[nH]1 587061132 AYICQNZTJKHBGC-CQSZACIVSA-N 335.234 5.708 0 1 EKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(Cl)c2[nH]1 587070294 RPUCDEYAVGZDMP-JTQLQIEISA-N 333.218 5.246 0 1 EKAF CCCCC/C=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099882 WOBKEWXIBPMBKF-YFHOEESVSA-N 341.454 6.348 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Cl)cc(Cl)c2[nH]1 587156300 TWDBDCVAKCLCMN-CYBMUJFWSA-N 339.197 5.539 0 1 EKAF Cc1cccc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206788 OCADDAFRBMMEPY-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF c1ccc(COc2cccc3c2Cc2c-3nc3cccc4c3c2CC4)cc1 587214849 VPSKPMGEOUKSJI-UHFFFAOYSA-N 349.433 5.484 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1cccc(C)c1)CC2=O 587489946 PZRFHPRUQPTGLA-JOCHJYFZSA-N 338.447 5.010 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccc(F)cc12 587507479 MXESUVOCBYINEV-FQEVSTJZSA-N 349.405 5.201 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2ccc(F)c(Cl)c12 587629732 ZMGWOEBDIKPPQA-UHFFFAOYSA-N 349.764 5.252 0 1 EKAF Cc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783772 HFBKYEMTPQQRMI-GXDHUFHOSA-N 341.414 5.016 0 1 EKAF c1ccc(-c2cccc(Cc3nc4ccc5ncccc5c4[nH]3)c2)cc1 587960594 FFBDPAFYWJCGSU-UHFFFAOYSA-N 335.410 5.369 0 1 EKAF CC1=CC[C@H](C(C)C)c2cc(C)c(OC(=O)Nc3ccccc3)cc21 1772594034 CWNLLNPSDRVJTO-GOSISDBHSA-N 335.447 6.153 0 1 EKAF CC1(C)[C@H](c2ccccc2)[C@@]12CC[C@@]1(C2=O)[C@@H](c2ccccc2)C1(C)C 17196075 KXLWBFPVIVAVFT-OTLGMJNYSA-N 344.498 5.969 0 1 EKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3cccc(F)c3)n2)CC(C)(C)C1 82068838 JNBHMNYGLYZNGW-UKRRQHHQSA-N 329.419 5.035 0 1 EKAF Oc1ccc(C/C=C2\C3C[C@H]4C[C@H](C3)CC2(c2ccc(O)cc2)C4)cc1 101381238 RLOLVQCVUBTXHJ-USMGFASKSA-N 346.470 5.345 0 1 EKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3[C@@H]1CC=CCC1 103945460 WUTIMTDELQMQQE-VFNWGFHPSA-N 344.458 6.065 0 1 EKAF FC(F)(F)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037750 YCXAPDQBMZXIAA-CYBMUJFWSA-N 340.395 5.022 0 1 EKAF Cc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050137 OSBROBZMKDTPBW-VHSXEESVSA-N 335.209 5.588 0 1 EKAF Clc1ccc2ccc(-c3nc4c(Cl)cncc4[nH]3)nc2c1Cl 587083100 GJFHFJDKOYLRPT-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1csc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587208359 QYBZRCGSQJBTAG-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF O=C(c1cc(F)c(F)cc1Cl)c1coc2ccc(Cl)cc12 587278057 GJSVCGNELRKXPK-UHFFFAOYSA-N 327.113 5.249 0 1 EKAF COc1cccc(-c2cc(C3CCCC3)nc3c2oc2ccccc23)c1 587365558 LQYNFUAMXATTGQ-UHFFFAOYSA-N 343.426 6.314 0 1 EKAF Cc1ccccc1[C@@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522088 HERIHCXAONADIR-XMMPIXPASA-N 348.486 5.781 0 1 EKAF Cc1cc2c([nH]1)CC(C)(C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527038 STDLTRKDFGOCEW-QHCPKHFHSA-N 349.474 5.035 0 1 EKAF N=C(N)c1ccc(-c2ccc(-c3ccc(Cl)cc3)s2)cc1F 1772584644 ZGZCXXZDIXFDRX-UHFFFAOYSA-N 330.815 5.159 0 1 EKAF Cc1ccc(C)c(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1 1772621023 MGEDDXBITZQJIU-UHFFFAOYSA-N 349.503 5.808 0 1 EKAF CC=CC=CCC=CCCCCCCCCCc1cc(O)ccc1O 2356487850 OILIDQCJCUQAGV-UHFFFAOYSA-N 342.523 6.840 0 1 EKAF CC(C)=CCCC(C)=CCOC(=O)c1ccccc1NCC=C(C)C 2356510331 VOFMHJHFICFREQ-UHFFFAOYSA-N 341.495 5.914 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@H](C(C)C)[C@@H]2C1 13412610 GERWGWCJTWPXEG-TWWFPWMWSA-N 333.475 6.320 0 1 EKAF COc1cccc2c1-c1ccc3c(c1[C@@H](C(C)C)O2)C(C)=CC(C)(C)N3 13470784 LONLTTQFSBAAKV-JOCHJYFZSA-N 349.474 6.059 0 1 EKAF O=C(O)/C=C/C=C/c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 13606297 USZYEMBPSMQPPK-BQJQTIKASA-N 335.186 5.440 0 1 EKAF c1ccc(CCSCc2cnc3ccc(-c4ccccc4)cn23)cc1 28877337 MKCSPGXIHAESNR-UHFFFAOYSA-N 344.483 5.477 0 1 EKAF Cc1cccnc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1 35259933 HEPNJQHVFLSRJH-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF Brc1ccccc1[C@@H]1Cc2[nH]c3ccccc3c2S1 43076130 BBNCCPSJBXYPLW-HNNXBMFYSA-N 330.250 5.320 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 72137548 GXUZTDABZYSZGR-MSOLQXFVSA-N 330.475 5.570 0 1 EKAF CCCOc1cccc(-c2cc(Oc3ccccc3)cc(C(=N)N)c2)c1 87613156 UUVLJQOIAWMHOF-UHFFFAOYSA-N 346.430 5.219 0 1 EKAF O=C1CC(=O)CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1 102923617 GMAAZXCNTVDYDQ-UHFFFAOYSA-N 340.422 5.426 0 1 EKAF COc1ccc2c(c1)[C@@H](c1sc3cccc(C)c3c1Cl)NCC2 204928354 QAHGUCBMXVNVBW-SFHVURJKSA-N 343.879 5.107 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c12 586895839 AALOEEAISGMSEQ-UHFFFAOYSA-N 342.870 6.144 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(OC)c(Cl)cc2[nH]1 586904110 QWBHSYCTJXZNBL-UHFFFAOYSA-N 326.783 5.201 0 1 EKAF COc1cc(OC)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587053500 DPAWQRQGFBQBGW-VOTSOKGWSA-N 349.217 5.057 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cnc3ccccc3c2[nH]1 587067781 OWFBDRYRXXVVEQ-GFCCVEGCSA-N 337.810 5.213 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C(C)(C)C[C@@H]4C)-c1ccccc1C2=O 587100436 KAYKMHXYVJNIAA-ZDUSSCGKSA-N 327.427 5.539 0 1 EKAF CCC[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101106 RBMWRQOJQABLDN-AWEZNQCLSA-N 327.427 5.585 0 1 EKAF Cc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1 587146487 NKOAIRFCXBOWKD-UHFFFAOYSA-N 332.378 5.256 0 1 EKAF Cc1ccc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587146810 XIEKPSWNPXKLFM-QPJJXVBHSA-N 349.178 5.082 0 1 EKAF CC/C=C/CCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587207888 OHDGYQAYGNITFH-ONEGZZNKSA-N 327.427 5.735 0 1 EKAF CC[C@@]1(C)C=Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207986 PKTUKRHCUGWOEP-QHCPKHFHSA-N 325.411 5.432 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c3ccccc13)CC2=O 587479721 AHHOHOJNVFGBCP-QFIPXVFZSA-N 349.430 5.015 0 1 EKAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587525410 PKJCIJPYDAEJTO-QHCPKHFHSA-N 332.443 5.107 0 1 EKAF CC(C)(C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531564 HDIWWXVUYCEJKH-QFIPXVFZSA-N 338.447 5.337 0 1 EKAF C[C@@]1(c2ccc3ncsc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587539028 UJEFEIGUYOAHST-NRFANRHFSA-N 349.455 5.056 0 1 EKAF COc1cc(C2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)ccc1C 587925863 RDHBFHHJBBWBKX-UHFFFAOYSA-N 347.245 5.267 0 1 EKAF CCCC/C=C/c1nc2cc(OCCC)c(Br)cc2[nH]1 587965420 LVUPPEOVKWNRAI-BQYQJAHWSA-N 337.261 5.318 0 1 EKAF Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1 1857601585 QWWFKMFYKDRACG-UHFFFAOYSA-N 340.810 5.032 0 1 EKAF Fc1ccc2nc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)[nH]c2c1 1857636436 AHFUBJIQRBONLJ-UHFFFAOYSA-N 346.340 5.051 0 1 EKAF CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C 27441341 BXZCGDYGWHAPIP-DNHGYLRESA-N 343.555 5.108 0 1 EKAF biogenic CC(C)(C)c1nc(-c2ccccc2)oc1Nc1ccc2ccccc2c1 36381620 GDFWNCZCWPBRJR-UHFFFAOYSA-N 342.442 6.536 0 1 EKAF Cc1ccc(O)cc1Nc1ccnc2cc(-c3ccccc3)ccc12 45186965 GGLKTEVVUHUAGL-UHFFFAOYSA-N 326.399 5.659 0 1 EKAF Clc1ccc(-c2cc(-c3ccco3)nc(-c3cccs3)c2)o1 45335639 HNDGDZZTWHRFPY-UHFFFAOYSA-N 327.792 5.984 0 1 EKAF C[C@H](CNc1cc(Oc2ccccc2Cl)ncn1)c1ccccc1 82068427 GRZGHDXDXUDTMQ-CQSZACIVSA-N 339.826 5.138 0 1 EKAF C[C@H](N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 169717636 WEDTZSCIIFOFOY-KRWDZBQOSA-N 338.451 5.079 0 1 EKAF Clc1ccc(-c2nc(-c3nc4ccc(Cl)nc4[nH]3)cs2)cc1 587016219 RYWPVCIPOAKIAM-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cccc(Cl)c2[nH]1 587049462 LSWWINWCOCQBQU-IUCAKERBSA-N 337.637 5.794 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587055076 RBOBPYFVGKVVOU-YFHOEESVSA-N 345.273 6.338 0 1 EKAF Fc1cc(Cc2nc3cncc(Cl)c3[nH]2)ccc1-c1ccccc1 587145851 SLXCIDCQJSWGAF-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(F)(F)F)cc2[nH]1 587156529 UQGQRBDBMKDJMQ-CQSZACIVSA-N 338.304 5.251 0 1 EKAF O=C1C[C@H](c2cc3cc(F)ccc3o2)Oc2c1ccc1c2CCCC1 587506479 KEGWRFXHFIPIBR-HXUWFJFHSA-N 336.362 5.157 0 1 EKAF Cc1cc(Cl)cc2c(CN(C)C)c(-c3cccc4ccccc34)[nH]c12 587624713 PSNJTJCMYGEURF-UHFFFAOYSA-N 348.877 6.012 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCCCCC2)N1 587819472 IHHIASSUNPALNC-PIGZYNQJSA-N 340.280 5.134 0 1 EKAF c1ccc(C[C@@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)cc1 587955138 GBRXCGCCKUIWFI-QFIPXVFZSA-N 348.449 6.091 0 1 EKAF c1coc(CN2CCc3sccc3[C@]23C[C@H]2C[C@@H]3[C@@H]3CCC[C@H]23)c1 962705140 KCQNVCXEEOMJIH-XMGIAMPRSA-N 339.504 5.051 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(C)c2Cl)N1 962949392 LZCVWAZKZIDRHI-MPBGBICISA-N 342.845 5.283 0 1 EKAF CC(=O)Oc1cc(-c2ccccc2)cc2oc(N)c(-c3cccs3)c12 1772599901 VVDIVTCFGFHMCM-UHFFFAOYSA-N 349.411 5.336 0 1 EKAF C[C@H](O)CCCCCCCCCCCC/C=C\CCCC(=O)O 1857586926 JUPRDUYCJGOWIW-XASXRRJKSA-N 326.521 5.860 0 1 EKAF O=[S@@](Cc1cccs1)C(c1ccc(F)cc1)c1ccc(F)cc1 1857628033 MFDDISDHWURVPW-QHCPKHFHSA-N 348.439 5.065 0 1 EKAF CC(=O)OC(C)(C)C1=CC2=CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 2356439970 JDYQUVYFBYLQIM-NNMXDRDESA-N 330.512 5.827 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356459240 DEKPALIRJFSIQW-URVUXULASA-N 332.528 6.075 0 1 EKAF CCc1cc(CC)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 13585040 FMJOKFGZMFCIQL-UHFFFAOYSA-N 327.431 5.188 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@@H](C)C(=O)O 14649194 JQTZSEREVATIFK-MTQWCTHYSA-N 326.565 6.782 0 1 EKAF endogenous,in-man CCC[C@@H](C)CCCCCCCCCCCCOC[C@@H](O)CO 15261821 PHKJZBSOHSECGN-UXHICEINSA-N 330.553 5.084 0 1 EKAF biogenic CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1 26014508 UEBLHMVIWONMDE-VHXPQNKSSA-N 342.438 5.981 0 1 EKAF O=C(O)c1ccc2nc(-c3ccccc3)c(C3CCCCC3)cc2c1 35001686 QFABODRYARQEBM-UHFFFAOYSA-N 331.415 5.648 0 1 EKAF O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCc1ccccc1-3 36350473 IQUUYNDMIQDMKP-UHFFFAOYSA-N 345.442 5.610 0 1 EKAF N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3Cl)cc2c1 43076011 KGSKDHUVKIQYHZ-UHFFFAOYSA-N 338.625 5.079 0 1 EKAF COc1cc2cc(-c3ccc4ccccc4c3)nc(C)c2cc1OC 45299316 LXETXRQVGAQVPI-UHFFFAOYSA-N 329.399 5.381 0 1 EKAF Clc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1 49053814 AFLWAUQYLAROBU-UHFFFAOYSA-N 326.852 5.013 0 1 EKAF Cc1cc(-c2cccc3cc[nH]c23)c(C)c2c1NC(C)(C)[C@H](O)[C@H]2C 66074239 HXCGPVMBDWBTBG-LHSJRXKWSA-N 334.463 5.120 0 1 EKAF CCCCC/C=C/c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1 84690874 JBNBOXNHEWHGRS-VOTSOKGWSA-N 349.430 6.013 0 1 EKAF Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1 96923378 KCWYCXOREJUHSL-UHFFFAOYSA-N 336.563 7.106 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc3c(c2[nH]1)CCCC3 586878741 KMQHSNJDHLZXRR-UHFFFAOYSA-N 338.454 6.084 0 1 EKAF CC(C)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990834 HWJWJERLWXMDBY-UHFFFAOYSA-N 331.415 5.131 0 1 EKAF Clc1nc(-c2nc3c(Cl)cccc3[nH]2)ccc1-c1ccccc1 587083711 HMGKCTJPJXMPMW-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF CC[C@@H](C)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102252 ZTTZGNVIBJUOPZ-HIFRSBDPSA-N 341.454 5.831 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)cc1F 587146791 WQWFQNYBRWYRRJ-WAYWQWQTSA-N 345.215 5.252 0 1 EKAF Cc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587522283 DNYWMTHJNIQBMC-JOCHJYFZSA-N 345.442 5.370 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c([C@H](C)C(=O)O)c2c1 587643051 RBXUTXCMYROKHK-STQMWFEESA-N 339.410 5.676 0 1 EKAF CCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)O 1857548686 DOHDKSMVBHWDQX-VOTSOKGWSA-N 332.484 6.110 0 1 EKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC)c(C)c1 1857760077 JTYNVVJZXUEMGL-UHFFFAOYSA-N 340.507 6.294 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CC=C[C@H](O)CCC(=O)O 2356668226 IFRKCNPQVIJFAQ-NRFANRHFSA-N 344.495 5.520 0 1 EKAF C[C@@]1(Oc2cccc(F)c2)CCN(Cc2csc3ccccc23)C1 61896883 WWNCAOZXXOCJSK-HXUWFJFHSA-N 341.451 5.084 0 3 EKAF C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 73313070 SKMFQTAOSOOOIV-BEFAXECRSA-N 344.499 5.296 0 3 EKAF c1ccc(-c2nc(SCC3CCCCC3)[nH]c2-c2ccccc2)cc1 1554890 OTOITCXQTIAIEG-UHFFFAOYSA-N 348.515 6.416 0 1 EKAF O=C(Nc1cccc2cnccc12)OCc1ccc(C(F)(F)F)cc1 13608758 QSRSJKGXSIGPNS-UHFFFAOYSA-N 346.308 5.002 0 1 EKAF C[C@@H](CCc1ccccc1)NC[C@H](c1ccccc1)C1CCCCC1 27759662 LEIWFJXUAFQCSD-GBXCKJPGSA-N 335.535 5.961 0 1 EKAF CC[C@@H](C)c1ccc(-n2c(=S)oc3cc(C)ccc3c2=S)cc1 64560616 CBMJMYSYLJYGIU-CYBMUJFWSA-N 341.501 6.504 0 1 EKAF COc1ccc(OC)c2c(/C=C/c3c(C)[nH]c4ccccc34)ccnc12 72135123 PBSUBTVVJHCRPW-CMDGGOBGSA-N 344.414 5.212 0 1 EKAF O=[N+]([O-])C[C@@H](c1ccccc1)c1cn(-c2ccccc2)c2ccccc12 207860461 LGCHLDAWVWNNFG-FQEVSTJZSA-N 342.398 5.039 0 1 EKAF CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCC(C)C 238758438 KEKYDAUAAYJDRA-VBUSEHTESA-N 347.587 6.738 0 1 EKAF CC(C)(O)CCCCc1cccc(/C=C/[C@]2(C)CC[C@@H](O)CC2)c1 253636195 VUPXSZKJILWBPI-KFOPKECRSA-N 330.512 5.125 0 1 EKAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)N=N1 253648800 XFRVTPWXXZOYFP-AIFSHUDHSA-N 328.500 5.108 0 1 EKAF CCCCC1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 586888482 JSULWSJWWWZNIR-UHFFFAOYSA-N 326.271 5.729 0 1 EKAF COc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2n1 587074592 XXBQHZKHIPPTMB-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Cc1ccc2c3c(cc(CCc4ccccc4)nc13)-c1ccccc1C2=O 587099545 MAEKHDUMRJZALM-UHFFFAOYSA-N 349.433 5.540 0 1 EKAF CC[C@H](C)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587102298 ZZHKWRWBWZZHOZ-DZGCQCFKSA-N 341.454 5.516 0 1 EKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587408266 AAFSWLUBBHGUBK-GOSISDBHSA-N 349.455 5.321 0 1 EKAF CC/C=C\CCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477528 CNXGMSBCBOTSBL-OSJSJHBBSA-N 344.495 5.985 0 1 EKAF CCc1cccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497951 LOESGESPYSNCMX-IBGZPJMESA-N 340.850 5.488 0 1 EKAF Cc1ccc(C[C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521964 DSLSAPCKSACUKY-XMMPIXPASA-N 346.470 5.231 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2=CCCCC2)N1 587817262 BAMVIXUXYNXWGB-DIFFPNOSSA-N 338.264 5.054 0 1 EKAF CC/C(=C\c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(C)cc1 587966033 GXLHHIRSIBHZFX-XYOKQWHBSA-N 331.246 6.129 0 1 EKAF Cc1sc2c(c1C)CCN[C@]2(C)c1cccc(-c2ccccc2)c1 963011313 PDZSPCXCHJFRTC-JOCHJYFZSA-N 333.500 5.441 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccsc2)o1 963228605 MBYZFMIUHDFCIJ-YCRPNKLZSA-N 337.488 5.754 0 1 EKAF Cc1cc(Nc2cc(Cl)cc(-c3ccccc3Cl)c2)nc(N)n1 1772647279 VHNIWOHKJCDKBP-UHFFFAOYSA-N 345.233 5.085 0 1 EKAF CC(C)=CCCC(C)=CCc1cc(O)c(Br)cc1O 2356639916 IUFDABCKTYWJDR-UHFFFAOYSA-N 325.246 5.096 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 2356688837 OCOYHOXMCJVVSI-LTVCHDBBSA-N 330.468 5.007 0 1 EKAF CC(=O)c1ccc2occc2c1OC(=O)c1ccc(Cl)c(Cl)c1 28397558 LBDWFOXSRMLCEK-UHFFFAOYSA-N 349.169 5.161 0 1 EKAF in-vivo CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@H]21 29332984 YJYUHNWFBRUMQN-DLBZAZTESA-N 344.495 5.053 0 1 EKAF CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34774048 XXHHYIQPKMKZSU-BBBWWSJWSA-N 344.495 5.952 0 1 EKAF in-vitro C[C@@]12CC3C[C@]1(C)CC3(N(Cc1ccccc1)Cc1ccccc1)C2 40393431 VINDLEJMTSPTRF-VVTBANEOSA-N 331.503 5.658 0 1 EKAF Cc1ccc2c(c1C)CN(CCc1ccccc1)C[C@@H]2c1ccccc1 40556716 AQIANVVPEXKNAN-RUZDIDTESA-N 341.498 5.494 0 1 EKAF CCc1ccc(-c2ccc(NC(=O)Oc3ccccc3F)cc2)cc1 45367305 XHWBLLJZJZYEES-UHFFFAOYSA-N 335.378 5.666 0 1 EKAF in-vivo C1=C\c2cccc(c2)-c2ccccc2[C@@H]2C[C@H](C[C@@H]3CCCCN32)OC/1 64625278 MTRZJAQTFNGSJM-BDFAEJNJSA-N 345.486 5.455 0 1 EKAF in-vitro Cc1ccc(C)c(-c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 72183681 OZNKGRJSGJOGCX-UHFFFAOYSA-N 343.470 6.148 0 1 EKAF C[C@H]1C[C@@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 72185011 KJSWVLBIPGDZQQ-XJKSGUPXSA-N 332.875 5.299 0 1 EKAF FC(F)(F)c1ccc(-c2cc(NCC3CCCCC3)ncn2)cc1 82162263 KQOJJYNFJGGXAI-UHFFFAOYSA-N 335.373 5.155 0 1 EKAF Oc1ccc(C(=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c2ccc(O)cc2)cc1 136338011 MMDMIFJZBQXIPJ-OTNPHJDUSA-N 332.443 5.356 0 1 EKAF CCCc1nccc2c(Nc3cccc(C(F)(F)F)c3)c(N)oc12 222993702 RCJAABLMTMQMKO-UHFFFAOYSA-N 335.329 5.125 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc3ccccc3cc2[nH]1 586878995 NPLKZEWJZOBMEO-UHFFFAOYSA-N 334.422 6.359 0 1 EKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccccc2[nH]1 587035089 NUSFBFIKLPSPCG-MRXNPFEDSA-N 349.459 5.049 0 1 EKAF CC(C)Oc1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587096896 DOXUCLGUMXMRBY-UHFFFAOYSA-N 338.304 5.175 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1C)CC2=O 587460343 LYPULIYGNPORCP-SFHVURJKSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(C)(C)C)CC1)CC2=O 587479571 IPCADPYYYPKZQF-IVZQSRNASA-N 344.495 5.675 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccccc12 587527748 WREQSXFJMNAEIL-FQEVSTJZSA-N 331.415 5.062 0 1 EKAF O=C1C[C@@H](c2c(O)ccc3ccccc23)Oc2c1ccc1c2CCCC1 587531432 GITJJQPLFDKUCF-NRFANRHFSA-N 344.410 5.131 0 1 EKAF Oc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587627983 DFYMLNADSHJTOU-UHFFFAOYSA-N 340.579 5.096 0 1 EKAF CC(C)CCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811741 HASIXDXTKOHSTN-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF CCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812620 JTUKQHATCHEOKX-GTNSWQLSSA-N 342.296 5.164 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2=CCCCC2)N1 587818493 HYJRPHNJFYYRNJ-XHDPSFHLSA-N 338.264 5.054 0 1 EKAF CCOC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4 1857602468 SGHWXUNYXTXJQR-UHFFFAOYSA-N 330.339 5.332 0 1 EKAF CC(C)=CCc1c(O)cc(C=Cc2ccccc2)c(CC=C(C)C)c1O 2356672086 WGNKBWUNUUKYBR-UHFFFAOYSA-N 348.486 6.286 0 1 EKAF Clc1cc(Cl)c2c(c1)oc1c(Cl)c(Cl)c(Cl)cc12 2569968 FRLMQDUYUJIHCZ-UHFFFAOYSA-N 340.420 6.853 0 1 EKAF C[P@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccccc1 3151888 MKUNBZPZHNINQV-OAQYLSRUSA-N 347.298 5.612 0 1 EKAF CCCCCCSc1ccc(C(=O)CCN2C[C@@H]2C)c(Cl)c1 43122709 XANFNVUDCJCYTD-PVCZSOGJSA-N 339.932 5.289 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)cc1 49110746 HOJLLKKSUANJJF-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF C[C@H](CCc1ccccc1)NCc1coc(-c2ccccc2Cl)n1 72183380 FEWKJLFEIRBMEF-OAHLLOKOSA-N 340.854 5.106 0 1 EKAF CSc1ccc(-c2cc(N[C@@H](C)c3ccc(C)cc3)ncn2)cc1 82162274 LVKHAWHUJSZWBG-HNNXBMFYSA-N 335.476 5.347 0 1 EKAF Cc1cc(Cl)ccc1Oc1coc(/C=C/c2ccco2)cc1=O 141719321 XYLNEOSZMRHPQM-AATRIKPKSA-N 328.751 5.157 0 1 EKAF C[C@H](c1ccc(-c2cccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C 165075353 ZVMQNPSOQBOZOE-CYBMUJFWSA-N 348.471 5.032 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2Cc2ccccc2-3)c1 231364898 JKAXUYNWSRJWIY-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 250496984 CSVZRSLESIKPMY-UWEUENHESA-N 347.458 5.244 0 1 EKAF O=C(c1ccc2c(c1)CCCC2)c1coc2c1cc(O)c1ccccc12 299840246 WJHZQWYTLBQYSB-UHFFFAOYSA-N 342.394 5.401 0 1 EKAF CC[C@H]1OCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586909541 FIXVHTNTOKUBHW-VQIMIIECSA-N 338.476 5.387 0 1 EKAF Fc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587051426 SLFXKRWNIXAUKZ-SFYZADRCSA-N 339.172 5.419 0 1 EKAF Cc1ccnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587062615 HMKASDKSUCWEAI-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CC(=O)[C@@H](C/C=C/c1ccccc1)c1cc2c3c(cccc3n1)CC2 587214509 RMHSGDGCRIPTGL-MVHVFESUSA-N 327.427 5.110 0 1 EKAF Nc1ccc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587251515 HSCXKRHHTPQTQG-JYRVWZFOSA-N 327.387 5.108 0 1 EKAF CCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357172 TXRIPSNSERAJEA-PZJWPPBQSA-N 342.410 5.229 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC=C(C)C3)c1 587367832 XQHIIYAQYTYWTO-UHFFFAOYSA-N 341.410 5.702 0 1 EKAF COc1cc2c3c(c1)O[C@H](c1ccccc1C1CCCCC1)[C@@H](C2)C3=O 587445563 LGSAHLQLNPCAPZ-WMZHIEFXSA-N 348.442 5.232 0 1 EKAF CC[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502677 DHPXSPBCTNDABS-NRFANRHFSA-N 340.850 5.490 0 1 EKAF CCCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524579 OSLJEWOMLBJZQI-QHCPKHFHSA-N 334.459 5.616 0 1 EKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587529814 DXHZDLPEXZYPDC-FQEVSTJZSA-N 332.399 5.327 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)OC(C)C)c2c1 587642315 RCGOXHOYEQFQKZ-SNVBAGLBSA-N 327.346 5.265 0 1 EKAF Clc1cc(Cl)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969518 ULVHSKJIMUNMCB-HJWRWDBZSA-N 339.225 6.193 0 1 EKAF Cc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)Nc1ccccc1 1772570744 FXVKNXSTSPOTHX-UHFFFAOYSA-N 333.431 6.191 0 1 EKAF Cc1ccc([C@@H](C)NCC[C@H](c2ccc(F)cc2)c2ccco2)cc1 1857643715 DICVVCHTJXVHLT-DYESRHJHSA-N 337.438 5.600 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC[C@]45C[C@]4(C)CCC[C@H]35)C2)O1 2356756872 XVSVCWJDKBTGFP-PRYHMTHXSA-N 346.555 5.941 0 1 EKAF C[C@H](c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743074 SEPMSBSPXGWXQU-OAHLLOKOSA-N 336.475 5.886 0 1 EKAF COc1ccc(/C=C/c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N 26579676 XGZFOHUFYSXUDB-VOTSOKGWSA-N 335.491 5.797 0 1 EKAF COc1ccc2c(-c3ccncc3)c(-c3cccc(Cl)c3)[nH]c2c1 26982915 QXNJKUFPXJJKNH-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF Clc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl 66136529 QQKNLGCYRCQFQP-UHFFFAOYSA-N 326.311 5.681 0 1 EKAF CCCCc1ccc(-c2nc(CN[C@H](C)c3ccccc3)co2)cc1 72140936 JKMKJEUHCXJLGO-QGZVFWFLSA-N 334.463 5.535 0 1 EKAF CCC(=O)C(CCCCCCc1ccc(Cl)cc1O)C(=O)CC 138204440 GINNRCPSBAELTG-UHFFFAOYSA-N 338.875 5.113 0 1 EKAF C/C=C\COc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3 328577354 VRGMZUXQIPKQOS-MNKBLEIRSA-N 333.475 5.174 0 1 EKAF in-vitro Clc1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1 473145056 IEPMWOYSCMMVNR-UHFFFAOYSA-N 325.824 5.146 0 1 EKAF Fc1c(Br)ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586880643 OKPBHXNZOXGLMA-UHFFFAOYSA-N 345.215 5.399 0 1 EKAF CC1(C)COc2c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cccc21 586912951 YKEZEJPKXLSBLY-UHFFFAOYSA-N 333.218 5.207 0 1 EKAF C[C@@H]1CC(C)(C)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990669 NHFUZPAYHMWBBW-GFCCVEGCSA-N 343.426 5.228 0 1 EKAF Clc1cccnc1-c1nc(-c2nc3cccc(Cl)c3[nH]2)cs1 587017300 IZOWJYNURYFXPM-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Fc1cc(Cl)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021175 GBXXZRUOYFQULW-UHFFFAOYSA-N 343.814 5.070 0 1 EKAF Cc1ccc2c3c(cc(C=C4CCCCC4)nc13)-c1ccccc1C2=O 587099626 PNKBNQPOTADUAE-UHFFFAOYSA-N 339.438 6.102 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4o3)nc3cccc1c23 587207300 QYTOSDWLPUKCBE-UHFFFAOYSA-N 347.373 5.859 0 1 EKAF COc1cccc(CCC(=O)c2coc3ccc(Cl)cc23)c1F 587277837 FUOWROPIEHBAJR-UHFFFAOYSA-N 332.758 5.049 0 1 EKAF CCN(CC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503713 IAQGTUNGZLZFRW-JOCHJYFZSA-N 349.474 5.118 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3c(Cl)cccc3Cl)c2c1 587641247 LQSDJMXBDKVRGH-NSHDSACASA-N 332.274 6.964 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587952331 OYBATHQGTQEISC-SCVCMEIPSA-N 342.270 5.311 0 1 EKAF C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963100701 IXSSDMOOVCPBGS-IMDVQQHUSA-N 339.498 5.134 0 1 EKAF CC(C)c1cccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)c1 61903202 JHVJJLFXMWYGDY-HXUWFJFHSA-N 341.451 5.328 0 3 EKAF c1ccc(C2(c3ccccc3)Sc3ccccc3-n3cccc32)cc1 13651986 ZBNHISGECXNIIA-UHFFFAOYSA-N 339.463 5.875 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@H](C)O)C[C@@H]21 27632041 NLCXTZGJXGMFME-BMGDILEWSA-N 344.495 5.097 0 1 EKAF C[C@]1(CC(F)F)CC=C2[C@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640423 UOSXMUVQMSJAOK-GNUVVZJLSA-N 340.454 5.675 0 1 EKAF O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2ccc(Cl)cc2)o1 28972801 OVESJEVEMVKRJZ-UHFFFAOYSA-N 336.778 5.334 0 1 EKAF O=C(O)c1ccc(NCCCCCCCCc2ccccc2)cc1 29205207 NKZLRBAWZWSIKR-UHFFFAOYSA-N 325.452 5.380 0 1 EKAF Cc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccsc3)n2)o1 45347664 PGRRYPPESKWNSQ-UHFFFAOYSA-N 341.819 6.292 0 1 EKAF C[C@@H](CNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1)c1ccccc1 82161121 BQFPKGLKIHSBGA-KRWDZBQOSA-N 345.490 5.657 0 1 EKAF C(=C1\CCN2Cc3ccccc3N=C12)\c1ccccc1-c1ccccc1 101010783 JOADMKLFYKUSJD-CAPFRKAQSA-N 336.438 5.687 0 1 EKAF CCCCCCC1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 116043389 BXXMQNCDPMEIHH-LGMDPLHJSA-N 337.467 5.731 0 1 EKAF CCCCCc1cc(S)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 169323081 RETQATOTJXJEQP-CQSZACIVSA-N 330.537 6.453 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)N1CCC([C@H](C)CO)CC1 253634149 CCOUQBSRJCGJNY-XUVXKRRUSA-N 325.581 5.348 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586903258 HMEGHILZOIEGJN-UHFFFAOYSA-N 348.299 5.252 0 1 EKAF Clc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 587083075 FQYZKAWQYFBEPW-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF C=Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099873 WIQMWZPUKRJNHN-UHFFFAOYSA-N 347.417 6.065 0 1 EKAF CC[C@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587206251 BUMYNTWFKILTQF-KGLIPLIRSA-N 327.427 5.837 0 1 EKAF CCCCCC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587524173 KWTILHCJWBPELU-UHFFFAOYSA-N 340.507 6.040 0 1 EKAF Cc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783571 CSJVQDWTYMRDHI-NTCAYCPXSA-N 340.426 5.621 0 1 EKAF Cc1nccc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587950657 STDYLJNOQDGRIV-VAWYXSNFSA-N 327.387 5.229 0 1 EKAF Cc1cc2c(cc1F)[C@@H](c1cc(-c3cccs3)cs1)NCC2 962146302 NTPDMBFYMASOTR-SFHVURJKSA-N 329.465 5.159 0 1 EKAF CCCCCC1=CCC[C@]12c1cccc(Br)c1CCN2C 963270887 RUVUYQSFXRWDME-LJQANCHMSA-N 348.328 5.433 0 1 EKAF Fc1ccc2c(c1)c(CN1CCCCC1)cn2CCC1CCCCC1 1772620112 CLABZQWZRLCCTQ-UHFFFAOYSA-N 342.502 5.737 0 1 EKAF CCC(C)(C)c1ccc(OCCCCCCN2CCC[C@@H](C)C2)cc1 1857538755 ZNIBZXYWEHLBPD-HXUWFJFHSA-N 345.571 6.045 0 1 EKAF COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 1857634423 FBDASCMVNLCAQQ-RTWAWAEBSA-N 338.353 5.239 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@](C)(CCCC(C)(C)O)C=C4 2356497454 OHCKDIPMJUURCC-QHCPKHFHSA-N 349.474 5.735 0 1 EKAF O=C1c2ccccc2CCC[C@@]12N=NC[C@H]2c1cccc2ccccc12 4419776 QQKNZXTUPKTGRU-GMAHTHKFSA-N 340.426 5.347 0 3 EKAF aggregator CCc1c(OC(CC)CC)cc(C)nc1Oc1c(C)cc(C)cc1C 1543679 VTFYRTOBOOBDCA-UHFFFAOYSA-N 341.495 6.237 0 1 EKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1CC 13742200 GTTQFZHNZWXONT-UHFFFAOYSA-N 332.447 5.832 0 1 EKAF CCCCc1oc2ccccc2c1Cc1ccc2cc(O)ccc2c1 13806801 QANHNXKZMOYUCA-UHFFFAOYSA-N 330.427 6.225 0 1 EKAF CC1=CC(C)(C)Nc2cc3nc(Cl)cc(C(F)(F)F)c3cc21 27407290 MOTAVLVEOHIACI-UHFFFAOYSA-N 326.749 5.514 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](CCCC(=O)O)CCC[C@@]21C 27707222 GNNWYNIVILNUKO-BFUACXKISA-N 336.560 6.536 0 1 EKAF C/C(C[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O 34469995 MUYJXNKCXMCFMU-AUUXQNKOSA-N 345.527 5.167 0 1 EKAF CC(=O)O[C@H]1Cc2c(cc3occc3c2C)[C@@]2(C)CCCC(C)(C)[C@H]12 43075445 WITNZPLCRJEDQU-JAXLGGSGSA-N 340.463 5.313 0 1 EKAF COc1cc2c(cc1[C@H](C)NC/C=C/c1ccccc1)C=CC(C)(C)O2 96932071 KPZRGYPPMJOGSH-YRYLYKBFSA-N 349.474 5.243 0 1 EKAF C/C(=C\c1c[nH]c2ccc(C)cc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271132 YWNFLXLYFCDRAY-DTQAZKPQSA-N 346.474 5.816 0 1 EKAF CC(C)(C)C1=NN(c2ccc(O)cc2)[C@H](c2ccc(Cl)cc2)C1 299825865 COTVIBHQKUDHQU-KRWDZBQOSA-N 328.843 5.399 0 1 EKAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587089374 CBXJOEYLHDQXCW-AWEZNQCLSA-N 344.695 5.279 0 1 EKAF CCCC[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207496 LRXWEAKIQLRSCX-CQSZACIVSA-N 327.427 5.666 0 1 EKAF Nc1ccc2oc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2c1 587252240 UGCBONVNTXDXIA-UHFFFAOYSA-N 349.337 5.170 0 1 EKAF O=C(c1coc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 587275836 GNVDQPJNIFIFDF-UHFFFAOYSA-N 346.813 6.101 0 1 EKAF CC(C)[C@H]1CC[C@H](C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529078 IOPZGULIMLCOSQ-LYLBAIIYSA-N 326.480 5.362 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587930288 NWPJMBBYYULGFC-FZKQIMNGSA-N 346.352 5.036 0 1 EKAF COc1c(C)cc(C)cc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962657301 APVDVKMQCPVYEO-HSZRJFAPSA-N 343.470 5.214 0 1 EKAF Cc1cc(/C=C/c2cc3ccc(O)cc3nc2Cl)cc(C)c1O 1772572963 HMUWEJRDKUXALY-ONEGZZNKSA-N 325.795 5.087 0 1 EKAF FC1(F)CCN(Cc2cccc(Cl)c2)C[C@H]1CCc1ccccc1 1772611668 NCHFNXBFGDIPEO-GOSISDBHSA-N 349.852 5.430 0 1 EKAF Cc1ccc([C@H](C)NCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 1857643720 DICVVCHTJXVHLT-UWJYYQICSA-N 337.438 5.600 0 1 EKAF CC(C)=CC[C@@H]1C[C@@H](CC=C(C)C)C(C)(C)[C@@H](C(=O)C(C)C)C1=O 2356489990 RSIDASPVNMMKMN-QRVBRYPASA-N 332.528 5.772 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 2356595517 JVRVYQYYINXFCM-LNRXMEIDSA-N 330.512 5.685 0 1 EKAF Cc1nc(Nc2ccc(C(F)(F)F)cc2)c2c(C)c(C)sc2n1 215548 ZLBOFLISQNHTTC-UHFFFAOYSA-N 337.370 5.379 0 1 EKAF O=C1Nc2c(Cl)cc(-c3ccccc3)cc2C2(CCCCC2)N1 1491098 OFWGHMAISKOSQV-UHFFFAOYSA-N 326.827 5.302 0 1 EKAF Clc1cc2c(cc1Cl)[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 13835363 GLPPHKINSPDIHC-WOJBJXKFSA-N 340.253 5.775 0 1 EKAF CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 29481721 CJHXJQVOZSVURY-XWRXVLDRSA-N 334.500 5.434 0 1 EKAF Oc1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(Cl)c1 43196196 GWQOJNLUSACQPH-IBGZPJMESA-N 347.805 5.104 0 1 EKAF Cc1c(/C=C\c2ccccc2)oc2cccc(OC3CCNCC3)c12 95553876 SWHJTMXXIZUHER-KHPPLWFESA-N 333.431 5.042 0 1 EKAF Fc1ccc(CN[C@H]2C[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1 261189898 YSHLKHKUQDWFAE-YADHBBJMSA-N 333.406 5.264 0 1 EKAF FC(F)(F)c1cccc2nc(CSCc3ccsc3)[nH]c12 587025516 HBHYVCXBBJSUDT-UHFFFAOYSA-N 328.384 5.077 0 1 EKAF Clc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2ccccc2n1 587084873 IAAHXWGVJIIFAF-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF COc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1F 587162935 DADRDPBCMNPBSA-UHFFFAOYSA-N 342.370 5.245 0 1 EKAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1F 587503201 FSJFVWYULWIGTE-JOCHJYFZSA-N 338.422 5.202 0 1 EKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587521972 DUDJFZSDAZXMGX-HSZRJFAPSA-N 342.438 5.734 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)c3ccccn3)c(-c3ccco3)[nH]c12 587626372 GCDPGUOBTQPMAT-UHFFFAOYSA-N 336.778 5.016 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(O)c2c1 587643867 XSHQFKUMIJPVCC-NSHDSACASA-N 333.353 6.073 0 1 EKAF C/C(=C\c1nc2cc(Br)c(C)c(C)c2[nH]1)C1CCCCC1 587967225 IVXRRDUBBGNPIF-PKNBQFBNSA-N 347.300 5.926 0 1 EKAF FC(F)(F)c1cnc2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587968667 NGKZOKLFQWWVCE-HJWRWDBZSA-N 339.320 5.300 0 1 EKAF CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1 2356517481 LQLSZSURMCEKFF-UHFFFAOYSA-N 344.539 7.064 0 1 EKAF CC(=O)CCCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356573708 XSCQBXUNBGFDEK-UHFFFAOYSA-N 330.468 5.919 0 1 EKAF CCC=CCC=C[C@H](O)C=CCC=CCC=CCCCC(=O)OCC 2356744418 FRYOLNYYHOUSQS-NRFANRHFSA-N 346.511 5.442 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 13302976 SNKPCSRNBVWIIG-BHIFYINESA-N 328.496 5.383 0 1 EKAF biogenic COc1ccccc1/C=C/c1cncc(/C=C/c2ccccc2OC)c1 36382751 IYYHMSXGEHNUDH-PHEQNACWSA-N 343.426 5.440 0 1 EKAF CCC1=C(c2ccccc2)c2ccc(O)cc2Sc2ccccc21 40631737 OBBBLBMGQNNILX-UHFFFAOYSA-N 330.452 6.226 0 1 EKAF CC(=O)O[C@@H]1C=C(C(C)C)[C@H]2[C@H]3CCC(C)=CC[C@@]3(C)CC[C@@]12C 40918002 BZRWHZYLKCIJQL-AANPDWTMSA-N 330.512 5.683 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)c1 49112189 GZCPVCLLSOKGCF-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF in-vivo CCC1=C(CCC(C)C)/C(=C/[C@H](C)CCC[C@H](C)CC(=O)O)CCC1 263621221 XIXDFZCDSAMZDB-SNXZXXCMSA-N 348.571 7.157 0 1 EKAF in-vitro Clc1ccc2c(c1)SCc1cnc(Nc3ccccc3)nc1-2 473145099 IXOZLNXGNORHSV-UHFFFAOYSA-N 325.824 5.146 0 1 EKAF Cc1c(Cl)ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587067983 FCVPVNFBRUWHNY-UHFFFAOYSA-N 343.217 5.235 0 1 EKAF CCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099676 RVCRTUGHWPLZDG-UHFFFAOYSA-N 343.470 6.186 0 1 EKAF C[C@@]1(c2ccc(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500795 DBBIKBSIUXTQAE-FQEVSTJZSA-N 344.813 5.239 0 1 EKAF O=C1CC2(CCCCCCCCCC2)Oc2c1ccc1c2CCCC1 587527438 WEDPXPDLUBMHBB-UHFFFAOYSA-N 340.507 6.184 0 1 EKAF Cc1cc(-c2nc3ccccc3s2)ccc1-n1nnc2ccccc21 653895042 ZRDWMRSXWUJMQU-UHFFFAOYSA-N 342.427 5.006 0 1 EKAF CCc1nc(Nc2ccc(F)cc2)c2c3c(sc2n1)CCCC3 1772619510 PDGUWPWPRKPXNQ-UHFFFAOYSA-N 327.428 5.015 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(OC=C(C)CCC=C(C)C)cc1O 2356501257 SKTDZBVNXYOMFX-OAHLLOKOSA-N 332.440 5.356 0 1 EKAF CC(C)CCC[C@@H](C)CCc1cc(C(=O)O)cc(CCC(C)C)c1O 2356579841 KEZVSOKCOXNINZ-QGZVFWFLSA-N 348.527 6.074 0 1 EKAF CCC1=C[C@](CC)(C[C@@H](CC)CC(CC)CC)OC1=CC(=O)OC 2356675822 HAXCESPGDCXOAV-UWJYYQICSA-N 336.516 5.801 0 1 EKAF Cc1cc2c3ccc4c5c3n(c2cc1O)C(C)(C)[C@H]1CC[C@@](C)(C[C@H]51)O4 2356761293 VGSGRIAAAVWVHZ-KXNSMUHISA-N 347.458 5.592 0 1 EKAF CCOCC1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1 13685666 ZNAJKGVGEIOVFM-UHFFFAOYSA-N 338.447 5.126 0 1 EKAF CCCCc1oc2ccccc2c1[C@@H](O)c1ccc2cc(O)ccc2c1 13806804 LHVGXQXHNZAQPV-QHCPKHFHSA-N 346.426 5.716 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)[C@@]2(C)CCCC=C12 14946948 PFMMKGGPOLDMEE-QDXXLECFSA-N 344.583 6.507 0 1 EKAF C[C@H](C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 28117925 SYOMLUWBQUSTCX-BULFRSBZSA-N 326.443 5.274 0 1 EKAF Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccc(-c2ccccc2)cc1 29128426 LCTNDXBQQYQGDX-UHFFFAOYSA-N 332.447 5.324 0 1 EKAF C/C(C[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O 39007843 BBTANPTXEJOKGM-WPOUIYDNSA-N 343.511 5.375 0 1 EKAF CC(C)=CCC/C(C)=C/[C@@H](C)NCCNC1C2CC3CC(C2)CC1C3 45259375 XOTXAAKETWRCOX-AMZKWMBKSA-N 344.587 5.072 0 1 EKAF CC(C)NCc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45301379 OLPRSNXBZDVCTQ-UHFFFAOYSA-N 341.458 5.395 0 1 EKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccccc1C(F)(F)F 96930049 KHMKVINZAZMTQF-OAHLLOKOSA-N 343.392 6.052 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@](C)(C[C@@H]41)O3 100773097 SCQKOFCBSCEEQG-SAHWJRBASA-N 331.459 5.886 0 1 EKAF endogenous,in-man c1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@@H](C2)S3)cc1 101389025 BNMCKPDOHSHTAN-UWJYYQICSA-N 345.467 5.920 0 1 EKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC(C)C 103183084 UBDYIDHYYIWNDR-MURFETPASA-N 349.603 6.962 0 1 EKAF CCCC1(CCC)CC(=O)[C@H]([C@@H](c2ccccc2)C(C)(C)C)C(=O)O1 169715002 UFIWWBUKCPODDQ-RTBURBONSA-N 344.495 5.288 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)o1 586904829 BUFQXHKTEFYDBB-UHFFFAOYSA-N 325.371 5.347 0 1 EKAF Clc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Cl 587028299 PRVIWVOUTLABHR-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF CC(C)(C)c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079195 AWHALIHSZZVQGS-INIZCTEOSA-N 326.827 5.190 0 1 EKAF Fc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149244 JAPHTKDMALRWIO-LJQANCHMSA-N 335.357 5.043 0 1 EKAF CC(C)[C@@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208029 PZESQZMPXRIHIX-OAHLLOKOSA-N 341.454 5.597 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)ccc1Cl)O2 587377724 XVPUIBBAFUCRSN-SFHVURJKSA-N 343.854 5.235 0 1 EKAF CCC(CC)(CC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820022 NVGKGWLHRQQIOI-BZNIZROVSA-N 342.296 5.380 0 1 EKAF CCCCCC=CCC=CCC=CCC=CCCCCC(=O)OC 2356308577 FYVTYELNLPIZCY-UHFFFAOYSA-N 332.528 6.695 0 1 EKAF COc1cc2c(c(OC)c1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C 2356434668 AFQBYPPKKHHGNA-VGSWGCGISA-N 344.495 5.036 0 1 EKAF Cc1cc(NCCc2c[nH]c3ccccc23)ccc1Oc1cccnc1 199265007 ZCGDRGRDJXHSFU-UHFFFAOYSA-N 343.430 5.318 0 3 EKAF O=C(O)CCCCCCc1ccc(Cc2cccc3ccccc23)cc1 26843177 HPMDWASMVNYPGS-UHFFFAOYSA-N 346.470 6.008 0 1 EKAF CC1(C)CCc2c(c(Br)cc3oc4ccccc4c23)O1 28873361 ZIYIIBLDANKJCD-UHFFFAOYSA-N 331.209 5.452 0 1 EKAF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1cccs1 35275067 RMHDEMYIFFJVTI-UHFFFAOYSA-N 346.411 5.322 0 1 EKAF CCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 39092831 UBMOAWNFFOYFHT-ILBLIPTMSA-N 338.491 5.200 0 1 EKAF CC[C@H](C)c1ccc(-n2c(=S)oc3cc(C)ccc3c2=S)cc1 64560619 CBMJMYSYLJYGIU-ZDUSSCGKSA-N 341.501 6.504 0 1 EKAF c1cn(CCCCCCCCCCCCCCCn2ccnc2)cn1 73166598 LLXDASQPSBEZSR-UHFFFAOYSA-N 344.547 5.851 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2ccsc2)cc1 95559843 QBJVCTUQMUSOQF-SFTDATJTSA-N 337.532 5.839 0 1 EKAF COc1cc2c(cc1[C@H](C)NCC1CCCCC1)C=CC(C)(C)O2 96932091 LWFWVRZBVMVNHA-HNNXBMFYSA-N 329.484 5.110 0 1 EKAF C/C(=C\CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCO 238776110 JIYJKMAEDVTOQW-SVBRFEQASA-N 326.565 5.727 0 1 EKAF Oc1cccc(-c2cc(-c3ccsc3)cc(-c3cccc(O)c3)n2)c1 473135679 RMJYMMVGANGPAB-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF C[C@H](c1nc2cc(F)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587099050 WHJNYOAJRHLSME-QMMMGPOBSA-N 326.268 5.012 0 1 EKAF Cc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587126514 YVNSTHCZZCCUOU-YFHOEESVSA-N 334.366 5.654 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C(c1ccccc1)C3 587208216 SEXCXYSDOAKAFJ-UHFFFAOYSA-N 345.401 5.543 0 1 EKAF CCC[C@H]1CC[C@H]([C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587215157 IHIVEJPLNACVLV-ZHALLVOQSA-N 333.519 6.045 0 1 EKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)cc1 587630822 QIYBHQRMULUVRY-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)=O)c2c1 587640165 FIITZIGSJAIFSJ-GFCCVEGCSA-N 325.839 6.204 0 1 EKAF Cc1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587785255 ZUTWJXDUSYCMKS-FMIVXFBMSA-N 341.414 5.016 0 1 EKAF Fc1c(F)c(F)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1F 587970189 ZQWFUMXJTVIYDF-HJWRWDBZSA-N 342.295 5.443 0 1 EKAF Fc1ccc(NCc2cscc2CNc2ccc(F)cc2)cc1 1857547059 BSHZCMAICPGSBD-UHFFFAOYSA-N 330.403 5.251 0 1 EKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1 1857550854 YDGXBCVJTLQJEN-UHFFFAOYSA-N 339.523 5.961 0 1 EKAF C=CC(C)=CCCC(C)=Cc1cc(C(=O)Nc2ccc(C)cc2)co1 2356336684 PQKLRSIVXPRHSL-UHFFFAOYSA-N 335.447 6.156 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H]([C@@H](C)CCC=C(C)C)CCC(C)=CCC[C@@H]12 2356358610 SOAIWELMVRCOAD-XLKKCASTSA-N 346.511 5.252 0 1 EKAF CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OCCC 2356751071 SFPNSCZLRJDTGT-HXUWFJFHSA-N 340.548 5.948 0 1 EKAF Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2ccccc2)c(C)c1 13818652 UOGCKWYPJHTUDX-UHFFFAOYSA-N 342.394 5.653 0 1 EKAF Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 27720857 YOFQALFMYOUGSF-UHFFFAOYSA-N 348.808 6.203 0 1 EKAF CSc1ccc(-c2ccc(-c3ccc(SC)cc3)s2)cc1 28571232 VNGZQUWRJLZOTD-UHFFFAOYSA-N 328.527 6.526 0 1 EKAF FC(F)(F)COc1cccc(C2(N3CCCCC3)CCCCC2)c1 71315928 JNIAIHAEMRUXLS-UHFFFAOYSA-N 341.417 5.273 0 1 EKAF O=c1c2c([nH]c3cc(-c4ccc(C(F)(F)F)cc4)ccc13)CCCC2 72108864 WZZLJUGOYUIZIZ-UHFFFAOYSA-N 343.348 5.093 0 1 EKAF Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccccc3Cl)C2)cc1 102038508 TXDYHOBHEBBEKZ-NRFANRHFSA-N 349.817 5.690 0 1 EKAF Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccccc2)cc1 199536661 ALBIZPASFTZRDR-UHFFFAOYSA-N 339.442 5.460 0 1 EKAF CC/C=C/C=C/C=C/C=C/CCCCCCCOC(=O)CC(C)C 238779443 MDNVKZNPVLCVQP-AQPMYLLTSA-N 332.528 6.551 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)cc(C)c2[nH]1 586879517 SOVSDHJNTYFTTP-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587048877 BUZIJFZPORVENU-UHFFFAOYSA-N 341.842 5.139 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Cl)ccnc2[nH]1 587052161 XDXYGLWMAVJANN-YUMQZZPRSA-N 338.625 5.189 0 1 EKAF Fc1ccccc1CCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587150862 UDSFHBQPFATZTI-UHFFFAOYSA-N 332.378 5.280 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCO4)nc3cccc1c23 587208538 BKNLNGTUTVQSOV-UHFFFAOYSA-N 349.389 5.048 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(Cl)c1)CC2=O 587466608 MOCLRJNGJQQPFU-IBGZPJMESA-N 348.801 5.018 0 1 EKAF O=C1C[C@@H](c2ccc(O)c3ccccc23)Oc2c1ccc1c2CCCC1 587531833 HUBGPJTXAWLMCM-QFIPXVFZSA-N 344.410 5.131 0 1 EKAF CCCC/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587965078 GQKQCLMGHJMKGF-BJMVGYQFSA-N 333.460 6.043 0 1 EKAF CC(C)Oc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587966209 AOTMGGDBKRGWHO-JLHYYAGUSA-N 328.415 5.674 0 1 EKAF Fc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1Cl 963122376 ODWGRUJDDHJQQJ-HNNXBMFYSA-N 330.617 5.021 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(-c2ccccc2)noc1C 963241222 MSEICVCOVAFENK-WAIKUNEKSA-N 346.474 5.396 0 1 EKAF Cc1[nH]c2c(c1-c1nnc(-c3ccccc3)o1)Cc1cc(Cl)ccc1-2 1772571688 SYBQXYMZMSQQTQ-UHFFFAOYSA-N 347.805 5.265 0 1 EKAF Cc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21 1772645301 OKIKENQKVUOYCS-UHFFFAOYSA-N 336.438 6.000 0 1 EKAF CC(C)=CCc1c(C=Cc2ccccc2)cc(O)c2c1OC(C)(C)C=C2 2356404016 AGAKPVPGUZJFHK-UHFFFAOYSA-N 346.470 6.256 0 1 EKAF Clc1ccc([C@@H]2C[C@H](N3CCCC3)c3ccccc32)cc1Cl 29489074 UIVROQLNUFGFCX-LPHOPBHVSA-N 332.274 5.666 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586879926 UURCWTNPNXBUKD-UHFFFAOYSA-N 342.398 5.212 0 1 EKAF OCc1ccccc1-c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 586894844 FJQBUZHXDNVWGL-UHFFFAOYSA-N 334.806 5.043 0 1 EKAF Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587098200 RYWKGYXQOSLEJP-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c(C)c1 587631224 JGMIDEOQHKGKGS-UHFFFAOYSA-N 344.817 5.446 0 1 EKAF Fc1ccc2c(C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 587633485 DKQNUMFWAMKVIE-UHFFFAOYSA-N 348.126 6.300 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 587642519 TUZGTBHALUQEGP-ZETCQYMHSA-N 337.263 5.445 0 1 EKAF Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1C 587920883 PIBZFCQVGAIEFV-UHFFFAOYSA-N 348.471 5.442 0 1 EKAF COC(=O)C[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 1772610302 PGXBIGZYCGVZGU-ILWGZMRPSA-N 344.495 5.089 0 1 EKAF c1ccc(CN(CCc2c[nH]c3ccccc23)CC2CCCCC2)cc1 1857773561 JUELMOYHZBVAKK-UHFFFAOYSA-N 346.518 5.793 0 1 EKAF CCc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1 13442564 UIZPSDYEFLNTBD-UHFFFAOYSA-N 333.888 5.107 0 1 EKAF CC[C@@H](Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1 29335142 SKXWHUZZZUAUTR-QGZVFWFLSA-N 325.843 5.304 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccc(F)c1)N2 49051346 TUTZJRZGILWWMS-YYWHXJBOSA-N 339.454 5.758 0 1 EKAF CCCCCCNc1nc(NCCCCCC)c2ccccc2n1 72183216 WTOBOSOWEAQGEF-UHFFFAOYSA-N 328.504 5.614 0 1 EKAF CCCN(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1 72183369 WQEXBSJSFZPQRJ-UHFFFAOYSA-N 326.827 5.412 0 1 EKAF CC(C)(C)[C@@H]1CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 169343280 PTXFSRFFVSYMDW-WTIAFYNJSA-N 345.530 5.730 0 1 EKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)cc(C)c2[nH]1 587026168 BCLFQHRUYXXTIM-UHFFFAOYSA-N 343.839 5.140 0 1 EKAF CC[C@@H]1C[C@H](C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101288 RVKWVLQJFBGCMD-DZGCQCFKSA-N 341.454 5.831 0 1 EKAF Cc1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112342 LSNOLWIHRIZCMX-UHFFFAOYSA-N 327.309 5.105 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Cl)c(Cl)cc2[nH]1 587156004 QFXKXFMELDALTB-AWEZNQCLSA-N 339.197 5.539 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4c(C)ccc(C)c4[nH]3)c2)c1 587160015 BZJKIQKVVNSTQJ-UHFFFAOYSA-N 346.405 5.661 0 1 EKAF CS[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208661 DFTRFUVAQOEDMJ-QGZVFWFLSA-N 331.440 5.187 0 1 EKAF Fc1ccccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)s1 587213287 QAAMEVHUDJMSBR-UHFFFAOYSA-N 331.415 5.868 0 1 EKAF COc1cccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587214818 VGIUAWISZCSNMV-UHFFFAOYSA-N 337.422 5.676 0 1 EKAF O=C(Cc1ccc(OCc2ccccc2)cc1)c1coc2ccccc12 587280823 ZTQJGAGLVMDQEB-UHFFFAOYSA-N 342.394 5.437 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)=CC3)c1 587367442 QMOJSROLOAJHPS-UHFFFAOYSA-N 327.383 5.616 0 1 EKAF CC(C)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524624 LQPYFEDSWDZYMQ-QFIPXVFZSA-N 334.459 5.470 0 1 EKAF CCCC[C@H](O)[C@]1(CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587530864 VZAUARMAYSKRAM-UNMCSNQZSA-N 344.495 5.011 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C)c2c1 587642140 PFJUMOOWGQRKJL-CQSZACIVSA-N 339.910 7.299 0 1 EKAF COc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1OC 587929512 VVCAHFRNPGPJCV-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587956361 YHOKFLJEYMOCSN-HXUWFJFHSA-N 326.443 5.554 0 1 EKAF C[C@@]1(c2c[nH]c3cc(F)ccc23)NCCc2c(Cl)cc(Cl)cc21 963119507 GXQFRRCVSSAQJC-GOSISDBHSA-N 349.236 5.023 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CC(=O)c1ccc(C)cc1 963238998 INZHBKJGERICGV-MBSDFSHPSA-N 335.491 5.140 0 1 EKAF Cc1cccc(Cl)c1NC(=O)c1cncc(-c2ccc(F)cc2)c1 1857551449 SBKXNQAMWJJOKH-UHFFFAOYSA-N 340.785 5.102 0 1 EKAF O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 14979029 UTRCULYIVJDGNL-UHFFFAOYSA-N 347.414 5.108 0 1 EKAF CCCCCC/C(=C\c1ccccc1)c1ccc(S(C)(=O)=O)cc1 28390273 KLEINUAKRSRGRN-LVZFUZTISA-N 342.504 5.601 0 1 EKAF Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1 28523444 RHHLBQWOANJNGP-UHFFFAOYSA-N 331.463 5.274 0 1 EKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C)=CC[C@@H]12 28537408 SXUDPKBFEVADDU-UYWIDEMCSA-N 330.468 5.164 0 1 EKAF COc1ccc(C(=O)Oc2c3ccccc3cc3sccc23)cc1 35080132 ABIFIEOARIKDNK-UHFFFAOYSA-N 334.396 5.282 0 1 EKAF CCCCc1ccc(-c2cc(NCc3ccc(F)cc3)ncn2)cc1 82160182 OGNNDWAEEOFXJG-UHFFFAOYSA-N 335.426 5.237 0 1 EKAF COc1ccc(-c2nc3cc(C(C)=O)ccc3n2C2CCCCC2)cc1 84669646 DADLBKDUJJSSMC-UHFFFAOYSA-N 348.446 5.420 0 1 EKAF c1ccc(COc2cccc(-c3cncn3Cc3ccccc3)c2)cc1 103177391 XBTBTGPBIRULTL-UHFFFAOYSA-N 340.426 5.177 0 1 EKAF Cc1ccc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587146818 XQHNXUSEWXEGBH-BQYQJAHWSA-N 336.288 5.079 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ncc(Cl)s3)nc3cccc1c23 587208300 OTEVLRSJHMSWBU-UHFFFAOYSA-N 348.814 5.223 0 1 EKAF Cc1c(-c2cccc(C(F)(F)F)c2F)nc2cccc3c2c1CC3 587210223 KHWPBYLNEKVROY-UHFFFAOYSA-N 331.312 5.467 0 1 EKAF COc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587361705 ZHSFNSDBAHRNBQ-UHFFFAOYSA-N 343.451 5.738 0 1 EKAF Cc1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587506061 OKLUPXLXIVPFRA-KRWDZBQOSA-N 344.813 5.373 0 1 EKAF O=C1C[C@@H](c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509408 SDILWTUICPJEBP-SFHVURJKSA-N 346.348 5.291 0 1 EKAF CC[C@@H]1S[C@H](C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C 587537474 FTJWQMKBVIIUGT-QTLPIUPCSA-N 344.520 5.210 0 1 EKAF CC(C)=CCCC(C)=CCc1c(O)ccc2[nH]c3ccc(C)cc3c12 2356458460 MFGOZKCFDYMVEK-UHFFFAOYSA-N 333.475 6.570 0 1 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2cc(Cl)c(O)cc2C[C@@]13C 2356857503 SJGGZNSVPHOEPD-ROBCGSPUSA-N 348.914 5.982 0 1 EKAF Cc1ccn2cc(-c3ccc(CCCCN4CCCCC4)cc3)nc2c1 13819590 AVZBRDQUOYFHJJ-UHFFFAOYSA-N 347.506 5.118 0 1 EKAF CC(C)N(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835799 AXJNQTWCGWGLCZ-LPHOPBHVSA-N 334.290 5.910 0 1 EKAF CC/C(C)=C/C(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C 14694211 OJGMISWRBRJHLH-GXDHUFHOSA-N 328.452 5.587 0 1 EKAF Cc1c(C(C)(C)C)noc1NC(=O)Nc1cccc(Cl)c1Cl 26169863 UOZHNYLQYYJPEQ-UHFFFAOYSA-N 342.226 5.231 0 1 EKAF COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27716836 VDNHZANZWRQIMI-UHFFFAOYSA-N 344.389 5.558 0 1 EKAF C[C@H](CCc1ccccc1)NC[C@@H](c1ccccc1)C1CCCCC1 27759685 LEIWFJXUAFQCSD-YKSBVNFPSA-N 335.535 5.961 0 1 EKAF COc1c(O)ccc(O)c1CC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 29571651 BKCMPBYOOQMWHC-SIKLNZKXSA-N 344.495 5.592 0 1 EKAF C[C@@H](c1cccc2ccccc12)N(C)Cc1ccc(C(C)(C)C)cc1 34121228 MBFIPZYGAXBFHO-SFHVURJKSA-N 331.503 6.330 0 1 EKAF O=C(CCCCCCc1ccccc1)c1cnc(-c2ccccn2)o1 40394662 KTBJSXJXIRMQBA-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF C[C@H](C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 95555199 NNZLGZKXWZCOEH-ZDUSSCGKSA-N 348.833 5.717 0 1 EKAF CN(C(=N)Nc1cccc2ccccc12)c1cc(F)cc(Cl)c1 299841443 ZWAWFOPSFARVKS-UHFFFAOYSA-N 327.790 5.115 0 1 EKAF Cc1ccc(CSCCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 586970658 NQOASPAQCOFPTN-UHFFFAOYSA-N 330.884 5.309 0 1 EKAF Cc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1C 587077208 UJKJWDDHRJJWAX-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C=CCCCC4)-c1ccccc1C2=O 587101480 UCMIRJDCRWCNPE-UHFFFAOYSA-N 325.411 5.494 0 1 EKAF Cc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br 587148050 FGOWMAQGEYUITQ-HYXAFXHYSA-N 349.178 5.082 0 1 EKAF Nc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc2c1 587252293 VRBPRPWVBWGEAS-UHFFFAOYSA-N 345.299 5.123 0 1 EKAF CCN(CC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503714 IAQGTUNGZLZFRW-QFIPXVFZSA-N 349.474 5.118 0 1 EKAF Cn1c(-c2c(-c3ccccc3)[nH]c3cc(F)ccc23)nc2ccccc21 587636054 PJYQWXGZBVEYQL-UHFFFAOYSA-N 341.389 5.528 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(C(C)=O)c2c1 587639567 ABBMGMQNGDMQDF-LLVKDONJSA-N 341.838 5.910 0 1 EKAF CO[C@@H]1CC(=CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)[C@@H](OC)O1 2356654550 BCNNXHSXFZXSIE-SROFAIGKSA-N 348.527 5.467 0 1 EKAF COc1ccc(-c2sc3ccccc3c2/C=C/c2ccncc2)cc1 61947988 XWBGXJBMJKPTGC-IZZDOVSWSA-N 343.451 6.142 0 3 EKAF COc1ccc2oc(N[C@@H](Cc3ccccc3)c3ccccc3)nc2c1 28004684 WGCFWJHHOZDKML-IBGZPJMESA-N 344.414 5.232 0 1 EKAF CCCCC[C@@H](C)Oc1ccc([C@H]2CCC[C@@H](O)C2)c2[nH]ccc12 29235016 DXXCPIUNUQXSEP-IXDOHACOSA-N 329.484 5.534 0 1 EKAF Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccc(Cl)cc3)C2)cc1 49072239 ZXNGDTGAPIQMSQ-OAQYLSRUSA-N 349.817 5.690 0 1 EKAF Brc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1 72174880 YUKKLMLXFJDUNB-VOTSOKGWSA-N 347.302 6.410 0 1 EKAF Cn1cc([C@@H](Nc2ccccc2)c2ccccc2Cl)c2ccccc21 84687279 YRXMYKUYMUGZIR-QFIPXVFZSA-N 346.861 6.033 0 1 EKAF CCOC(=O)c1[nH]c2ccc(C)cc2c1Sc1ccc(Cl)cc1 95582892 QMPJJGKATRZDOQ-UHFFFAOYSA-N 345.851 5.458 0 1 EKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccsc12 167762305 RVOLYWVRVMEJDT-UHFFFAOYSA-N 338.363 5.030 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)cc1 169339797 ATODLNCZWPWZJH-NRFANRHFSA-N 347.439 5.456 0 1 EKAF CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1C 473249325 ULURJLCHMLMMCU-UHFFFAOYSA-N 342.870 5.420 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586880928 INBHZXJSFGMSDT-UHFFFAOYSA-N 334.250 5.619 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)o1 586902967 JDDIWNCFCJMZAO-UHFFFAOYSA-N 342.320 5.817 0 1 EKAF Cc1cc(C)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587163484 JUMZWOYFDAJUCZ-ATVHPVEESA-N 348.446 5.969 0 1 EKAF C[C@]1(Cc2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521336 BOCGHIUMXJQNLD-QHCPKHFHSA-N 345.442 5.013 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1cccc(Cl)c1C 587623787 PKRDVSGELWCQGZ-UHFFFAOYSA-N 347.245 5.652 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1cccc(Cl)c1 587624994 YCHRKQOQIMGKQS-UHFFFAOYSA-N 333.218 5.344 0 1 EKAF CCc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955757 NNXDIHDFRVUFRB-FQEVSTJZSA-N 326.443 5.500 0 1 EKAF O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)c1ccccc1 1772596809 MPKYPKVBWMPFRF-UHFFFAOYSA-N 348.402 5.355 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@H]1[C@H](C)C[C@@H]3C(C)(C)CCC[C@]34CO[C@@H]2[C@@H]14 2356506065 ADRYYXMGPFFUGO-VTLXJWBGSA-N 342.479 5.002 0 1 EKAF CCCCCC[C@H](CCCCC)c1ccc(S(=O)(=O)O)cc1 2038782 GHNRTXCRBJQVGN-INIZCTEOSA-N 326.502 5.568 0 1 EKAF in-vitro Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCCCCC2)s1 6914136 LTIYZWQXTCSSFF-UHFFFAOYSA-N 338.476 5.017 0 1 EKAF CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O 13470386 KIBOVPDMJDFYFZ-UHFFFAOYSA-N 332.447 5.158 0 1 EKAF Fc1ccccc1-c1cc(NCc2cccc3ccccc23)ncn1 82162000 YXVOZZMCZDTROV-UHFFFAOYSA-N 329.378 5.048 0 1 EKAF CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\[C@]12C[C@]1(C)CCCC2(C)C 100768929 ZQAZXAXJQNKOAF-ULNOZAOESA-N 342.523 6.161 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586897549 FRTPRYDJIDPCLZ-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF CCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357174 TXRIPSNSERAJEA-TZIWHRDSSA-N 342.410 5.229 0 1 EKAF CCCc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587494292 KUTFSBMMIHOUBP-KRWDZBQOSA-N 330.449 5.065 0 1 EKAF CC(C)(C)[C@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587524677 LVZIXEUQAPZECQ-GAJHUEQPSA-N 340.507 5.896 0 1 EKAF C[C@@H]1[C@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526069 QRYONBCZKPLKRB-ZFUCPZCZSA-N 332.443 5.093 0 1 EKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628643 PQBGVSFVZPOSLL-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(F)(F)F)c2c1 587642126 OUFUYQSFZUNAOE-LLVKDONJSA-N 346.352 5.488 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C(C)(C)C)cc2)N1 962962630 YFTCJCRUXYGLSV-KOSHJBKYSA-N 346.518 5.653 0 1 EKAF COc1ccc2cc([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2c1 1857655971 WYIKBKIRYZNULO-OAHLLOKOSA-N 344.414 5.359 0 1 EKAF CC(=O)OCC1=CC[C@H]2CC[C@](C)(O)[C@@H](CCC(C)=CCC1)C2(C)C 2356436513 ONBYNDRDNDICPR-ONTIZHBOSA-N 348.527 5.190 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(NC=O)ccc1O 2356796271 NAVRWCCAZBUSNJ-ZJQURUERSA-N 341.495 5.302 0 1 EKAF C[C@@H](NC(=O)Nc1cccc2cnccc12)c1ccc(C(C)(C)C)cc1 14973623 HZFYHEYVDJIJQH-OAHLLOKOSA-N 347.462 5.415 0 1 EKAF CCCC(=O)c1cnc2cc(OC)ccc2c1Nc1ccccc1C 26655591 JGBUWMZLIMDMRK-UHFFFAOYSA-N 334.419 5.278 0 1 EKAF CC1(C)CCCN(CCCCCn2c3ccccc3c3ccccc32)C1 28711335 AQYQPEHOIGRZOA-UHFFFAOYSA-N 348.534 6.087 0 1 EKAF Nc1ncc(-c2ccccc2)n1C1CCCCCCCCCCC1 66103473 HEGMTNICVDFQMT-UHFFFAOYSA-N 325.500 5.978 0 1 EKAF Cc1ccccc1-c1nc(CN[C@H](C)c2cccc3ccccc23)co1 72183562 KMGGHFDTBAVFQY-QGZVFWFLSA-N 342.442 5.654 0 1 EKAF Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12 73165846 VHNQLSBSUPITCK-UHFFFAOYSA-N 332.353 5.550 0 1 EKAF COc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc23)cc1 101749946 RRPHNGUXLUAZTO-BSYVCWPDSA-N 343.382 5.046 0 1 EKAF Oc1ccccc1C1=Nc2ccccc2S[C@H](c2ccc(F)cc2)C1 103205892 WCROIGSCNRRNSN-NRFANRHFSA-N 349.430 5.889 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1)[C@H]1C(=O)CC(C)(C)CC1=N2 169722131 GOOKYIJBCRETAO-RTWAWAEBSA-N 332.447 5.240 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N(C)C 231934437 FCHAVFLICKAOOF-NKXWDUBDSA-N 331.544 6.220 0 1 EKAF CCc1nc2cc(Cl)ccc2n1CCCCOc1ccccc1 473248443 OEPIJZLZSNGNDG-UHFFFAOYSA-N 328.843 5.111 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(C(C)(C)C)cccc4[nH]3)cc2)o1 586902572 GDXFCWBZWNMHSA-UHFFFAOYSA-N 330.431 6.096 0 1 EKAF Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1F 587032409 JYASGCSPTMRHTI-UHFFFAOYSA-N 337.423 5.018 0 1 EKAF COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587045731 FCEJWDFCZUAUHZ-UHFFFAOYSA-N 344.842 5.235 0 1 EKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc12 587049891 JIJPOOMSDVOYKB-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF Cc1ccc2c3c(cc(-c4cccs4)nc13)-c1ccccc1C2=O 587102876 RAGYKNHKWWQIPI-UHFFFAOYSA-N 327.408 5.483 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1C1CCCCC1)O2 587408562 PMZGMMLJVZJLEP-LAUBAEHRSA-N 327.468 5.052 0 1 EKAF CC(C)(C)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521753 FYUQAWOSPYDWOR-DEOSSOPVSA-N 348.486 5.744 0 1 EKAF O=C1C[C@@H](c2ccccc2OCC2CC2)Oc2c1ccc1c2CCCC1 587521974 FPDBFSOVRCRGGV-QFIPXVFZSA-N 348.442 5.061 0 1 EKAF C[C@]1(c2cc(Cl)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530580 FWRLXJZXBXWPGF-GOSISDBHSA-N 332.852 5.161 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4c(C)ccc(C)c4[nH]3)ccc2c1 587935970 XTKTYWMNIJAGBI-OAHLLOKOSA-N 330.431 5.493 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587951289 GSKKQSIQKIQNMG-NVBFEUDRSA-N 341.282 5.916 0 1 EKAF c1ccc2c(c1)Cc1c(-c3ccc4ccccc4c3)nc3cccnc3c1-2 1772626752 XQUKYSOPQDXGKU-UHFFFAOYSA-N 344.417 6.021 0 1 EKAF CC[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356307454 XRFPNYQNNAHIPX-UGCIQDCYSA-N 346.555 5.987 0 1 EKAF Cc1ccc2[nH]c3c4c(c(C)cc3c2c1)O[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]4C2(C)C 2356467509 UAEHAKMCIFYYGZ-UFRIGAJXSA-N 345.486 6.239 0 1 EKAF CC1=C[C@@H]2c3cccc4[nH]c(Sc5ccccc5)c(c34)C[C@H]2N(C)C1 13826374 WHESDEUHYUCCMI-YLJYHZDGSA-N 346.499 5.219 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]21 38224003 XWVGMPJQSWKTJV-BHIFYINESA-N 344.495 5.089 0 1 EKAF biogenic CCCCNC(=O)CCC/C=C\CCCCCCCCCC(=O)O 72110833 YFJIKFXIIZAWGG-NTMALXAHSA-N 339.520 5.225 0 1 EKAF CN(C)c1ccc(-c2cc(-c3ccccc3)cc(C(C)(C)C)[s+]2)cc1 84741570 GYRHJCRONROZHO-UHFFFAOYSA-N 348.535 6.727 0 1 EKAF CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCC1)N2 95587994 LSNNSOKXZWQNBH-BWAGFHJFSA-N 343.511 5.564 0 1 EKAF O=C(O)c1sc2ccccc2c1CCc1cccc2ccccc12 95594700 YHJPBXFIHDAQRI-UHFFFAOYSA-N 332.424 5.538 0 1 EKAF CN(C)c1ccc([C@@H](C[C@H](N=O)c2ccncc2)c2ccccc2)cc1 169730250 GAOIASSLHDSFLE-VXKWHMMOSA-N 345.446 5.177 0 1 EKAF Clc1cccc(/C=C\c2nc3ccc4ncccc4c3[nH]2)c1Cl 587053829 IYAYAJKQDHRAIR-TWGQIWQCSA-N 340.213 5.588 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(C)ccc(C)c2[nH]1 587073365 CZGDKLSQFMLZKW-UHFFFAOYSA-N 346.861 6.476 0 1 EKAF Cc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Cl 587170619 RNWVEYJEOQQYPD-NSHDSACASA-N 334.847 5.560 0 1 EKAF Cc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br 587173914 CUNSEBRJGXJWTD-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF FC(F)(F)Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Cl 587210191 IWOWERMRYUFUBF-UHFFFAOYSA-N 349.739 5.552 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C3CCCC3)s1)O2 587410732 OQOWEMORMJPXRX-MRXNPFEDSA-N 327.449 5.003 0 1 EKAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2c(C)cc(Cl)cc12 587624619 PWWCPYTXRIXPRF-UHFFFAOYSA-N 334.202 5.358 0 1 EKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3c[nH]c4ccccc34)[nH]c12 587624954 XAONTTJALAHJLZ-UHFFFAOYSA-N 348.755 6.297 0 1 EKAF CCC[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814829 VZJHTFYJYZIYOP-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF Cc1cc(C)c2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587875186 BFIDTHWLZOGORI-UHFFFAOYSA-N 337.379 5.011 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 587933903 ZHPSTUZMUZGYFI-HXUWFJFHSA-N 348.833 5.405 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)CCCC3 587952212 NAFGUCSYDACRCX-GMBSWORKSA-N 326.484 5.488 0 1 EKAF CCCC/C=C/c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587965937 QJZYTSIQIHBBBN-BQYQJAHWSA-N 337.261 5.316 0 1 EKAF CC/C(=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(C)cc1 587967211 MQCKNKJRSKLGHD-WQLSENKSSA-N 348.343 5.980 0 1 EKAF Cc1c(F)ccc2c1[C@](CCC(C)C)(c1ccc(Cl)cc1)NCC2 962377799 SLIUMZVNUPIRQC-NRFANRHFSA-N 345.889 5.613 0 1 EKAF COCc1cccc(-c2cc(-c3cc4ccccc4s3)cnc2N)c1 1857620691 JXNALUPAQQSMJO-UHFFFAOYSA-N 346.455 5.359 0 1 EKAF COc1ccc(OC)c(C[C@]2(C)C3=C(CC[C@@H]2C)C(C)(C)CCC3)c1 2356815888 CWMPTLQOEZBEEN-HJPURHCSSA-N 342.523 6.189 0 1 EKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(C)cc1 169305028 JZMUKMHKYQIWNT-UHFFFAOYSA-N 334.463 5.258 0 3 EKAF CC[C@@H](C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O 13765076 MAHKREFCVQVJQL-MRXNPFEDSA-N 342.442 5.169 0 1 EKAF Cc1ccn2cc(-c3ccc(/C=C/CCN4CCCCC4)cc3)nc2c1 13819593 ZAWXAXRBCUONPN-XVNBXDOJSA-N 345.490 5.199 0 1 EKAF C[C@@H](Cc1ccc(O)cc1)NC[C@@H](c1ccccc1)C1CCCCC1 27766802 NBTFATDMJLDJTE-MBSDFSHPSA-N 337.507 5.277 0 1 EKAF CCC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 35244518 RWVQBDOPPUJMQU-NZQKXSOJSA-N 342.523 6.156 0 1 EKAF Cc1nnc(-c2ccccc2-c2ccccc2)n1-c1ccccc1F 66103104 WHUKULONLXCIAX-UHFFFAOYSA-N 329.378 5.049 0 1 EKAF COc1cccc([C@@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)c1 71334316 AKYFNSVXHCHDLU-QHCPKHFHSA-N 342.442 5.402 0 1 EKAF c1ccc(-c2ccc(Oc3cc(NC4CCCCC4)ncn3)cc2)cc1 82067572 VVQAWKDVDNCMDR-UHFFFAOYSA-N 345.446 5.681 0 1 EKAF c1csc(CCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)c1 100753501 MVZQFWPPZDOLHW-YWZLYKJASA-N 336.504 5.314 0 1 EKAF Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C(C)C)c1 103178964 MHODRSSAPJZYRJ-RMKNXTFCSA-N 349.257 6.044 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586883742 LCTYGADNAPNQPU-ZVZLLHMNSA-N 345.284 5.102 0 1 EKAF CCc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1Br 586976925 IYLINRVJGQRESU-UHFFFAOYSA-N 329.241 5.172 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Cl 587024076 UVUIGLHCFUUQIN-UHFFFAOYSA-N 341.823 5.015 0 1 EKAF CCCCCc1c(CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099418 HVRUOVRSDUUFID-UHFFFAOYSA-N 343.470 6.050 0 1 EKAF CCN1/C(=C\c2cc3c4c(cccc4n2)CC3)Sc2ccccc21 587360814 QACYFAWLDCHCMU-DEDYPNTBSA-N 330.456 5.264 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)o1 587625026 ZJQZNMGAABHBJA-UHFFFAOYSA-N 341.716 5.281 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1 587642616 OSOCSSMKXNNCMI-MRXNPFEDSA-N 343.445 7.155 0 1 EKAF O=c1cc(-c2cccc(OCc3ccccc3)c2)oc2ccccc12 1857535155 CBJZZHJARMUVCE-UHFFFAOYSA-N 328.367 5.039 0 1 EKAF Nc1sc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 1857536849 DZOJKZRNYRAQGR-UHFFFAOYSA-N 342.773 5.899 0 1 EKAF c1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCCC3)cc1 1857567864 UXEKJOHGQGGRAB-UHFFFAOYSA-N 349.503 5.227 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@@H]3COC(C)(C)O3)CC[C@@]21C 2356481717 ZGIVIADXUJJMPO-VNRSTOLVSA-N 346.555 6.107 0 1 EKAF COc1ccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)cc1 74372895 HERKGRXWAXQTDE-UHFFFAOYSA-N 333.366 5.121 0 3 EKAF CC1(C)CCC(C)(C)c2cc(-c3ccc(/C=C/C(=O)O)cc3)ccc21 28648304 WCCFPGNGRCRLJN-KPKJPENVSA-N 334.459 5.800 0 1 EKAF O=C(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 33827063 POCOHBZIGLNLLJ-UHFFFAOYSA-N 343.300 5.447 0 1 EKAF Cc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 34659225 FGNGXXNZWGBELO-MRXNPFEDSA-N 344.842 5.072 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(C(C)(C)C)cc2)n1 72185810 HSMVGFCHIJPNRL-MRXNPFEDSA-N 328.500 5.698 0 1 EKAF Cc1cccc(-c2cc(NCc3cccc4ccccc34)ncn2)c1 82162182 VMRACVYEOAWMKE-UHFFFAOYSA-N 325.415 5.217 0 1 EKAF CC(C)=C/C=C/[C@@]1(C)CCc2c(O)cc(C)c(CC=C(C)C)c2O1 84154026 UANZUGFDTSFCAF-CGIBVWHJSA-N 326.480 5.815 0 1 EKAF biogenic,in-vitro Cc1cc(Cl)ccc1Oc1coc(/C=C/c2cccs2)cc1=O 141738754 YLIMYWRKFWMUCA-AATRIKPKSA-N 344.819 5.626 0 1 EKAF CC(C)=CCC/C(C)=C\Cc1cc(C(=O)O)cc2c1OC(C)(C)C=C2 238781711 IJVBICLYLYPOJK-SXGWCWSVSA-N 340.463 5.804 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(C)cnc(Cl)c2[nH]1 586878102 BMHIKWYZLMCYBO-UHFFFAOYSA-N 333.822 5.562 0 1 EKAF Cc1ccc2c(c1)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587101940 XNDVOMPYKJPBNI-UHFFFAOYSA-N 347.417 5.634 0 1 EKAF Cc1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195657 GPNQEVDZQJKYEF-UHFFFAOYSA-N 327.431 5.078 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C1CCCC1)CC2=O 587480392 JVAZSSNMNCNMCJ-UWJYYQICSA-N 328.452 5.039 0 1 EKAF COc1cccc(C)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587785669 FAVPUYCFCMICBQ-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF CCCCOc1cc2nc([C@@H](C)CC)[nH]c2cc1Br 587955034 FIAHARDETYDPIO-JTQLQIEISA-N 325.250 5.018 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587967409 JQUKOHBSSORBCT-XFFZJAGNSA-N 342.792 6.385 0 1 EKAF Cc1cc2c(cc1F)[C@](C)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962149674 XJTLRYTVRAHLNS-DEOSSOPVSA-N 343.445 5.115 0 1 EKAF CC(C)=CCC[C@]1(C)C=C[C@@H]2c3[nH]c4ccccc4c3C=C(C)[C@H]2O1 2356664380 SCNGJZKZHKFTAO-SXSPYAJSSA-N 333.475 6.129 0 1 EKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(Cc3ccccc3)n2c1 95570621 GSMRXYJJAMXGIS-UHFFFAOYSA-N 332.834 5.554 0 3 EKAF Cc1cccc(C(=N)Nc2nc(-c3ccccn3)cc3ccccc23)c1 5931198 IABRYYLROFPGTH-UHFFFAOYSA-N 338.414 5.043 0 1 EKAF S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 17250489 IGAXOKSDONAODE-UHFFFAOYSA-N 345.899 5.051 0 1 EKAF CC(C)(C)OC(=O)Nc1oc(-c2ccccc2)nc1-c1ccccc1 35275599 MCIWFUUUINHRBO-UHFFFAOYSA-N 336.391 5.356 0 1 EKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCCC3)cc2)n1 49073035 OMPTWLRWWRWONS-UHFFFAOYSA-N 339.527 5.164 0 1 EKAF Clc1cc(Cl)cc(Nc2nc3c(s2)Cc2ccccc2-3)c1 103228320 ABZBKCTZESNXNY-UHFFFAOYSA-N 333.243 5.765 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 586879952 ALTFJXFOFKXOSI-UHFFFAOYSA-N 344.256 5.075 0 1 EKAF Fc1ccc2[nH]cc(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1 587175714 ZTNFNULDJHDCID-UHFFFAOYSA-N 334.181 5.081 0 1 EKAF CC1(C)[C@@H]2CC[C@@]1(C)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587206165 AVIKZSYQHWDSAL-GYCJOSAFSA-N 339.438 5.621 0 1 EKAF O=C1C[C@H](c2cccc(C(F)F)c2)Oc2c1ccc1c2CCCC1 587505555 LVXGTVGMRGETDN-GOSISDBHSA-N 328.358 5.210 0 1 EKAF CCc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949915 NCZWONFOJZCELN-UHFFFAOYSA-N 328.415 5.508 0 1 EKAF CC[n+]1cc(-c2c[nH]c3ccccc23)cc(-c2c[nH]c3ccccc23)c1 1857537844 JMOSSHRNZUUBCR-UHFFFAOYSA-N 338.434 5.291 0 1 EKAF CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3Cl)cc12 4265054 MCDOPGHOBQDEOA-UHFFFAOYSA-N 349.821 5.180 0 3 EKAF CCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671494 DLNYBTQCUMZHIJ-JAMPEYMFSA-N 332.528 5.129 0 1 EKAF O=C(O)c1ccccc1OCCCC1c2ccccc2-c2ccccc21 13741278 CCIGMSAABVNSPI-UHFFFAOYSA-N 344.410 5.356 0 1 EKAF CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 28568006 STAHNRBMYYBQQC-QTGUNEKASA-N 337.507 5.361 0 1 EKAF CCCCSC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 29394696 TWKDFLVEFVJYBM-LEWJYISDSA-N 344.520 5.909 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2O)o1 35259918 GTXPWUDHFBBHPF-UHFFFAOYSA-N 349.430 5.423 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 36289405 XMTVISLAECGBLA-MASBSBOYSA-N 342.567 6.715 0 1 EKAF COc1cccc(N(C)C(=O)c2ccc(-c3cccc(C)c3)s2)c1 95584760 BABRITZRSIMSNK-UHFFFAOYSA-N 337.444 5.009 0 1 EKAF COc1cc(/C=C/c2ccccc2)c(-c2ccccc2)c(OC)c1OC 95596633 QXPUORXYFOSNPS-CCEZHUSRSA-N 346.426 5.550 0 1 EKAF COc1ccc(-c2oc3cccc(O)c3c2C(=O)c2ccccc2)cc1 96922067 INIOLDWAVHYXGV-UHFFFAOYSA-N 344.366 5.045 0 1 EKAF CCc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144835 CPTDMTAVKITAHI-UHFFFAOYSA-N 330.406 5.522 0 1 EKAF Cc1cc(C)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 587159346 ZJSWCJLXJYWXOA-UHFFFAOYSA-N 344.389 5.465 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587160825 HCJNQCDCDOCDEM-QWRGUYRKSA-N 338.279 5.131 0 1 EKAF Cc1cccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1 587206195 KUDGNISSKYSVNG-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF CC(C)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587208250 TZDZKHHQPGSJBK-CQSZACIVSA-N 327.427 5.207 0 1 EKAF O=C1C[C@@H](c2c(F)cc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587502294 DMVBORQXAWCXPY-KRWDZBQOSA-N 348.776 5.204 0 1 EKAF O=C1C[C@@]2(CCC[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587528176 YUPLYFABKCYAQI-NFBKMPQASA-N 332.443 5.237 0 1 EKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2c(C)cc(Cl)cc12 587625030 ZNWLEEMULOIDBG-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(CC(=O)O)c2c1 587642338 MYBFQGNWDDFBAA-LLVKDONJSA-N 343.373 5.254 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)c1 587920450 LFYUONPBBCPTMO-UHFFFAOYSA-N 341.863 5.919 0 1 EKAF O=C(Nc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1 13677728 UHGVBEUDRRTCAK-UHFFFAOYSA-N 339.847 5.744 0 1 EKAF CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(Cl)cc2)cc1 13755783 XDXUQXVTDMNRFB-UHFFFAOYSA-N 342.847 5.078 0 1 EKAF CCCC/C=C/CCCCCCCCCCCc1cccc(O)c1 15270278 YEEXSDBYWJYVCY-AATRIKPKSA-N 330.556 7.582 0 1 EKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc(O)c(C)cc1O 40863541 WMICYZWXGIMHIB-NGEVDRGDSA-N 328.496 6.368 0 1 EKAF O=C(c1ccc(N2CCCCC2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64559753 CUONICBVAWIINN-VQTJNVASSA-N 339.866 5.317 0 1 EKAF COc1ccc([C@@H]2Nc3ccccc3-n3c2cc2c(C)cccc23)cc1 71340980 YBAGISUBQXVPTF-QHCPKHFHSA-N 340.426 5.462 0 1 EKAF Fc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1F 587016262 SXQYSBBWBSWHOQ-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF Clc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052278 ZMFZNRUKHNTOII-ZJUUUORDSA-N 337.637 5.794 0 1 EKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 587073056 AMPODKJYNBIZRB-KRWDZBQOSA-N 346.261 5.207 0 1 EKAF Cc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2n1 587126198 VWJSKBBYGGDDHH-WEVVVXLNSA-N 335.354 5.049 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(Cl)c1)CC2=O 587459417 DDLWBFSQLOIOKC-GOSISDBHSA-N 330.811 5.013 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CCC(C)C)(C(C)(C)C)CC2=O 587491700 YOYBZCJMGKGHES-NRFANRHFSA-N 332.484 5.531 0 1 EKAF Cc1c(Cl)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496745 FGTFYUVMUXWMII-IBGZPJMESA-N 326.823 5.234 0 1 EKAF C[C@@]1(Cc2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501427 OIDREVXDMBZXJE-OAQYLSRUSA-N 340.850 5.185 0 1 EKAF Fc1cc2c(OCc3ccccc3)c(C(F)(F)F)[nH]c2cc1Cl 587629822 JICSEIVWDCHJQM-UHFFFAOYSA-N 343.707 5.558 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(-c3ccccc3)c2c1 587641453 IYMKZABHTXMSTO-MRXNPFEDSA-N 343.445 7.155 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@@H]3COC(C)(C)O3)CC[C@]21C 2356481714 ZGIVIADXUJJMPO-BFBGFAJMSA-N 346.555 6.107 0 1 EKAF CC(=CC=C[C@H](C)C=CCC(C)C)CC[C@@H]1C=C(C(=O)O)CCC1 2356561104 POOTZJVXDGHNMQ-UYAOXDASSA-N 330.512 6.319 0 1 EKAF CCC[C@H](C)C[C@@H](C)C[C@@H](C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356565703 IPVYZLACGWVYRC-RRFJBIMHSA-N 334.500 5.854 0 1 EKAF CC(=O)OCC[C@H](C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 14655155 VBKYATCSYDLRJR-AOMOKSILSA-N 334.544 6.775 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3[nH]c4ccc(C)cc4c23)O1 15211552 QJRWTBSLVJRRRF-HSZRJFAPSA-N 331.459 6.540 0 1 EKAF biogenic C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCC1=CCC(=O)OC1 15222071 FADXOJWSXBNCBI-STIQIAQSSA-N 342.479 5.929 0 1 EKAF CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1 28972191 LQLSZSURMCEKFF-HZJYTTRNSA-N 344.539 7.064 0 1 EKAF biogenic,in-vitro O=c1oc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(O)cc1 40974482 JZPVXCBWJVTLAX-UHFFFAOYSA-N 340.378 5.346 0 1 EKAF CC(C)=CCC[C@H](C)c1ccc(C)c2c1OCN(CCCCCO)C2 66252674 SDQLTXNJJLLNRA-SFHVURJKSA-N 345.527 5.159 0 1 EKAF ClC(Cl)(Cl)c1nc(Oc2ccccc2)c2ccccc2n1 72180356 BNZCOYKFMQQXSJ-UHFFFAOYSA-N 339.609 5.249 0 1 EKAF C[C@H]1CC=C[C@](C)([C@H]2CCC[C@H](Cc3cc(O)cc(CCO)c3)C2)C1 85543621 DMKKXGUPBVXGNO-OXHIVJRSSA-N 342.523 5.268 0 1 EKAF biogenic,in-vitro CN(C)c1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(Cl)cc2)cc1 95560214 WXUMTQVZILMOSZ-UHFFFAOYSA-N 329.856 5.126 0 1 EKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc3ccccc3s2)C1 103170228 NHTZRHPDYOVESC-UHFFFAOYSA-N 347.483 5.452 0 1 EKAF CN(C)c1ccc([C@H](C[C@H](N=O)c2cccnc2)c2ccccc2)cc1 169730263 ZUKBYVFWUNDXKQ-YADHBBJMSA-N 345.446 5.177 0 1 EKAF FC(F)(F)c1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Cl 587033468 IWJSQHWSQBCSAF-UHFFFAOYSA-N 342.773 5.452 0 1 EKAF Cc1cc(Cl)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079788 HGPDDSPSRWTKKF-UHFFFAOYSA-N 330.218 5.181 0 1 EKAF CCc1nc2c(C)ccc3c2c(c1[C@H](C)CC)-c1ccccc1C3=O 587099441 ISZAFJWKBPGERX-CYBMUJFWSA-N 329.443 5.831 0 1 EKAF Cn1nc(-c2ccccc2)c(-c2cc3c4c(cccc4n2)CC3)c1Cl 587208991 DRYPMIWRDADKQF-UHFFFAOYSA-N 345.833 5.054 0 1 EKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c2ccccc12 587515650 NKOCVLNNHGPBGI-OAQYLSRUSA-N 345.442 5.072 0 1 EKAF CCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602131 WKGHTTMIRLHLMZ-NQIIRXRSSA-N 340.419 5.083 0 1 EKAF CCCc1[nH]c2cc(Cl)c(F)cc2c1NC(=O)OC(C)(C)C 587631811 VPQWGTZBYQCGBI-UHFFFAOYSA-N 326.799 5.260 0 1 EKAF Cc1cccc([C@]2(C(C)(C)C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963108411 OWEHEKPEDUOBIO-WMZHIEFXSA-N 337.482 5.444 0 1 EKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O 2356822899 GGTVEFDAPOKWMQ-UHFFFAOYSA-N 342.523 6.939 0 1 EKAF COc1ccc(-c2nc3ccc(C)cc3cc2-c2ccccc2)cc1 3897681 ZBOXTGKTVTYTEO-UHFFFAOYSA-N 325.411 5.886 0 1 EKAF CC(C)[C@H]1CC[C@H](C)C(=CC=C2C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O 4266481 CDLMGTMYJCSWTE-XMTFNYHQSA-N 330.512 5.382 0 1 EKAF biogenic CCCC(=O)c1cnc2c([C@H](C)O)cccc2c1Nc1ccccc1C 13742261 DQMLQJOKAZPMAZ-HNNXBMFYSA-N 348.446 5.323 0 1 EKAF C[C@H]1CN(CCCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1 13833023 PXERKRHOUYBZAC-LAUBAEHRSA-N 343.536 5.076 0 1 EKAF O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)ccc12 13835599 CLAWFMMPPHDBRE-UHFFFAOYSA-N 328.367 5.039 0 1 EKAF O=C1CCCCCCCCCCCCCCCCCCCCCO1 14449071 JVNNUYHKIWNNOR-UHFFFAOYSA-N 338.576 7.345 0 1 EKAF biogenic,in-vitro O=C(O)COc1ccc(-c2ccc(F)cc2)cc1C1CCCCC1 28948341 PHEMHGURIBIMIT-UHFFFAOYSA-N 328.383 5.004 0 1 EKAF Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3 85945724 SCQKOFCBSCEEQG-MFEFFIJZSA-N 331.459 5.886 0 1 EKAF endogenous,in-man CC[C@@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@](C)(CCC=C(C)C)O2 95577245 PCLLEWWERMTJCL-SZNDQCEHSA-N 346.467 5.157 0 1 EKAF Fc1cc(Cc2nc3ccc(F)c(F)c3[nH]2)ccc1-c1ccccc1 587145379 LVSZRJMJPWHYDW-UHFFFAOYSA-N 338.332 5.238 0 1 EKAF Cc1cc(Br)c2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 587149653 OYRKNLIXFVPQQM-HWKANZROSA-N 349.178 5.082 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)CC[C@H](C)CC(C)(C)C)O2 587406786 VETWSYIWCSYVAJ-ZUEVXXBESA-N 331.500 5.400 0 1 EKAF Cc1ccc2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524693 MICXXHRVEIEWQS-HSZRJFAPSA-N 332.443 5.071 0 1 EKAF Cc1cc([C@]2(C)NCCc3cccc(-c4ccccc4)c32)cc(C)c1F 962666474 MLEPOIWYZJZRQT-DEOSSOPVSA-N 345.461 5.519 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](C)Cc2ccc(OC)cc2)N1 962946311 LETHAEXKWQSPET-JLDZCNIISA-N 348.490 5.021 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCc1ccc(Cl)cc1C2 963225593 FLTIZOXLBJSDGO-KSFYIVLOSA-N 339.910 5.381 0 1 EKAF O=c1cc(-c2ccc(-c3ccc(Cl)cc3)s2)c2ccccc2o1 1857540915 ISMLDVITPFNPOO-UHFFFAOYSA-N 338.815 5.842 0 1 EKAF CCCCC=CCC=CCCCCCCc1cccc(OC)c1OC 2356413182 QKVPVZPGUUHBMD-UHFFFAOYSA-N 344.539 6.890 0 1 EKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 5974736 DDOGGMRPOOHGHD-HXUWFJFHSA-N 333.822 5.169 0 1 EKAF C/C(=C\CCc1ccoc1)CC(=O)C[C@]1(C)CCCc2ccoc21 13415492 NQLMQSZWWCKWNA-CWFRJLDNSA-N 326.436 5.395 0 1 EKAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1ncco1 13587160 ASDDHZUEOBVPNO-UHFFFAOYSA-N 349.430 5.554 0 1 EKAF in-vivo O=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1 13728405 SKYLOCVKTGZMKA-UHFFFAOYSA-N 337.507 5.324 0 1 EKAF CC[C@H](C)c1ccc(N2CCN(c3ccc([C@@H](C)CC)cc3)C2=N)cc1 13780651 YRZYLLYQZAIQRS-ROUUACIJSA-N 349.522 5.975 0 1 EKAF CN([C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)C(C)(C)C 13835801 RUFGGNDBOBTWQC-LPHOPBHVSA-N 348.317 6.300 0 1 EKAF CC(C)=CCC/C(C)=C\Cc1c(O)c(C=O)cc2c1[nH]c1ccccc12 14610478 HYKYGURKMDNXGG-WJDWOHSUSA-N 347.458 6.074 0 1 EKAF endogenous,in-man CCC(=O)Nc1ccc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1 34490530 MMMUOKVULHGIGH-UHFFFAOYSA-N 348.450 5.019 0 1 EKAF C/C1=C\C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 87723333 JRSLQKPYZJDQRG-LQYYCOEHSA-N 342.479 5.066 0 1 EKAF COc1cccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)c1 95594533 OZEIVWIOHACZJY-UHFFFAOYSA-N 341.414 5.357 0 1 EKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCCC2)s1 206844128 XPGYEBDRSQTRGG-LJQANCHMSA-N 340.492 5.210 0 1 EKAF N[C@@H]1CCC[C@H](c2cc3c(-c4cccc(F)c4)c(Cl)cnc3[nH]2)C1 226064520 DKTNYYYSTIHWKL-SMDDNHRTSA-N 343.833 5.007 0 1 EKAF C[C@@H](CC(C)(C)C)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586991173 LINXCAAIKNPECJ-ZDUSSCGKSA-N 345.442 5.692 0 1 EKAF Clc1cc(Cl)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027776 JUNZNSCZQRYIHE-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1cc(C)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587051054 RMIKQHDMESNBSE-RYUDHWBXSA-N 331.246 5.758 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@H](C)CC4)-c1ccccc1C2=O 587100396 ISIBAGVQHHNNEW-TZMCWYRMSA-N 327.427 5.440 0 1 EKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3coc4cc(F)ccc34)nc2c1 587175579 URMFISCLQVYMAA-UHFFFAOYSA-N 338.235 5.273 0 1 EKAF O=C1C[C@@]2(CCC[C@@H](C(F)F)CC2)Oc2c1ccc1c2CCCC1 587505422 KSQSJDGDPOPWGV-VLIAUNLRSA-N 334.406 5.115 0 1 EKAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c(C)cc(Cl)cc12 587624819 TXURGJRNMBEJPU-UHFFFAOYSA-N 345.801 5.036 0 1 EKAF c1ccc(C[C@@H](c2ccccc2)c2nc3ccc4ncccc4c3[nH]2)cc1 587955233 ITFREOYYGVACFQ-FQEVSTJZSA-N 349.437 5.486 0 1 EKAF COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956979 XLMFVUMPVPXTTR-QGZVFWFLSA-N 346.405 5.085 0 1 EKAF Cc1ccccc1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 1772572219 QKWACRDGRWNVRE-UHFFFAOYSA-N 336.822 5.959 0 1 EKAF CSc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 1772598535 MIBFXMSKQAFTKF-UHFFFAOYSA-N 344.443 5.157 0 1 EKAF c1ccc(-c2cccc(OCCCCCN3CCCCCC3)c2)cc1 1857539084 YMUYJRWULWKAGU-UHFFFAOYSA-N 337.507 5.779 0 1 EKAF C=C(c1cc(C)nc2ccccc12)c1cn(C)c2cc(OC)ccc12 1857581377 ZMWRVCWTTHWMOS-UHFFFAOYSA-N 328.415 5.105 0 1 EKAF CC(C)=CCCC(C)=CCc1c(C)cc(O)c(CC=C(C)C)c1O 2356465377 PPRBUIHMPCALQT-UHFFFAOYSA-N 328.496 6.150 0 1 EKAF CCC1=C[C@@](CC)(C[C@H](CC)CC(CC)CC)OC1=CC(=O)OC 2356675819 HAXCESPGDCXOAV-DYESRHJHSA-N 336.516 5.801 0 1 EKAF Cc1cc2c(cc3c(SCc4ccccc4Cl)nnc(C)n32)o1 6894190 ZLEKXUSNZOSNLI-UHFFFAOYSA-N 343.839 5.038 0 1 EKAF CCCC[C@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941617 XGJBQLUMKAYNAP-HKBOAZHASA-N 342.914 5.346 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCC(C)C)cc1OC2(C)C 28965852 NVOPEPXNFPWHIE-QZTJIDSGSA-N 328.496 5.982 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 38179231 FSNRDANMRLKUMZ-MISYRCLQSA-N 341.882 5.637 0 1 EKAF CCCCn1cc(C(=O)Cc2ccccc2F)c2cccc(OC)c21 96905986 JDIZLXWOYLZHBE-UHFFFAOYSA-N 339.410 5.015 0 1 EKAF CO[C@H]1C/C=C(\C)CC/C=C(\C)CC[C@@H]2[C@@H](/C=C/1C(=O)O)C2(C)C 199889715 VWXXNOHWGGYBTR-HSAJIGOESA-N 332.484 5.141 0 1 EKAF CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NCCO 225926045 GRALDOVISFMWKP-URZBRJKDSA-N 349.559 5.465 0 1 EKAF Cc1ccc2c3c(cc(C(F)(F)C(F)F)nc13)-c1ccccc1C2=O 586994268 WZDUVCZYQGTUGO-UHFFFAOYSA-N 345.295 5.112 0 1 EKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 587114062 QSTYZBLVOLBKIG-VIFPVBQESA-N 340.295 5.206 0 1 EKAF CC[C@@H](C)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208389 VERHBBYHVLNZNL-KGLIPLIRSA-N 327.427 5.522 0 1 EKAF Nc1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc2ccccc12 587254944 ZKGWURFWJWYBPR-UHFFFAOYSA-N 328.202 5.272 0 1 EKAF CC[C@H](C)c1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403128 JZCYSMSBUTWQIS-OYHNWAKOSA-N 337.463 5.361 0 1 EKAF Cc1ccc([C@@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534098 VTGMACJPKNUXBQ-JOCHJYFZSA-N 338.447 5.374 0 1 EKAF O=C1C[C@@H](c2csc3c2CCCC3)Oc2c1ccc1c2CCCC1 587535779 ONJGTEMXNFXQPM-IBGZPJMESA-N 338.472 5.212 0 1 EKAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 587629093 UCUZDQJVYFTLRU-UHFFFAOYSA-N 338.165 5.067 0 1 EKAF Fc1ccc(-c2csc(-c3c(Cl)cccc3Cl)n2)cc1F 587922116 HJLLJISGPFEHDH-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF CN(C/C=C/c1ccc(C(F)F)cc1)Cc1cccc2cc[nH]c12 1772582654 GJCBHTLOMKIKDP-ONEGZZNKSA-N 326.390 5.251 0 1 EKAF CCC1=N[C@H](c2ccccc2)c2ccccc2CN1Cc1ccccc1 13600282 SUMRMPQOAAMLIL-XMMPIXPASA-N 340.470 5.600 0 1 EKAF COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c3c2CCCC3)cc1 13835370 QBHFMNOQYWUXOU-UHFFFAOYSA-N 333.431 5.245 0 1 EKAF O=C(O)[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C1=CCCC1 26737868 UMFGQMBDXVJCGT-AMUNLKFJSA-N 347.458 5.495 0 1 EKAF Cc1c(CSc2nc3ccccc3o2)cccc1OCC(C)C 27427419 QSHFCOPSUJKECV-UHFFFAOYSA-N 327.449 5.463 0 1 EKAF Clc1ccc2oc(N[C@H](Cc3ccccc3)c3ccccc3)nc2c1 28008664 APXJQCOCLFLQST-GOSISDBHSA-N 348.833 5.877 0 1 EKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45367682 IPAMIWZVGZQITB-HZPDHXFCSA-N 338.904 5.345 0 1 EKAF Cc1cc(C)cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1 64526922 RWENXESMVVFVNT-UHFFFAOYSA-N 336.822 5.271 0 1 EKAF CCCCCCc1ccc(-c2nc(N)[nH]c2Cc2ccccc2)cc1 84730238 UQQMSPDVGCCJFP-UHFFFAOYSA-N 333.479 5.373 0 1 EKAF CCCCCCOc1ccc(-n2cnnc2CCCCCC)cc1 103276494 XGMFTTPZPSXNCH-UHFFFAOYSA-N 329.488 5.349 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)C1 299825978 NVJIUYBPXVBYTK-KRWDZBQOSA-N 330.834 5.833 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3ccc(C)cc3C)cs2)c1 473088520 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CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCCCC 82186900 ZAHOZWSFAAKGNE-UHFFFAOYSA-N 345.535 5.522 0 1 EKAF Cc1ccccc1-c1cccc(NCc2cc(-c3ccccc3)[nH]n2)n1 95562824 LWSGGYNEACWJES-UHFFFAOYSA-N 340.430 5.059 0 1 EKAF O=c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)n1O 95564368 FSPJPMAPOYCPCZ-UHFFFAOYSA-N 339.394 5.087 0 1 EKAF CC(C)c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 100068470 NSKLNRWWULBAJO-UHFFFAOYSA-N 345.421 5.361 0 1 EKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ncc[nH]1 103244913 ZQJUNMKUHZNGTJ-GOSISDBHSA-N 336.826 5.054 0 1 EKAF CC(C)Oc1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899324 YBLYSRGPLBDPQU-UHFFFAOYSA-N 344.414 5.390 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(F)cc(F)c2[nH]1 586970910 MEVUMIZSEDMYDR-UHFFFAOYSA-N 331.204 5.032 0 1 EKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(C)(C)C)cccc3[nH]2)n1 587079310 IVAWBNSWEFUSJE-LLVKDONJSA-N 330.863 5.348 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(S)cc3)nc3cccc1c23 587208662 DGEVPBNNAXCOIK-UHFFFAOYSA-N 339.419 5.402 0 1 EKAF O=C(c1cc(C(F)(F)F)ccc1F)c1coc2ccc(Cl)cc12 587277862 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OZJHCMYAXLCFKU-DAVBRLECSA-N 335.491 5.550 0 1 EKAF COc1ccc(O)c(O)c1C=C1[C@H](C)CC[C@H]2C(C)(C)CCC[C@]12C 3810611 SJKXQWZJYOQHJG-YFYZNPQRSA-N 344.495 5.752 0 1 EKAF biogenic CC(C)N(CCC1=C([C@H](C)c2ccccn2)c2ccccc2C1)C(C)C 13493479 HBRHULDGKNIFGB-LJQANCHMSA-N 348.534 5.704 0 1 EKAF O=C(O)CCCCCCCCCC1c2ccccc2-c2ccccc21 13741271 NUVJWLARNYHRRP-UHFFFAOYSA-N 336.475 6.394 0 1 EKAF CO[C@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27073530 AACVSEPXXNRBIR-IBGZPJMESA-N 341.838 5.652 0 1 EKAF CCCCCC[C@@H]1CC[C@@H](OCCCCCC[n+]2ccccc2)O1 29315753 PLOBJHMUEHCYHY-RTWAWAEBSA-N 334.524 5.027 0 1 EKAF CCCCCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)OC2 35090765 KWAIIBZOPCPVPW-UHFFFAOYSA-N 338.403 5.686 0 1 EKAF Oc1cc(Cl)ccc1Oc1ccccc1CNCc1ccccc1 36286624 MIWWQJOCPPHLJR-UHFFFAOYSA-N 339.822 5.128 0 1 EKAF in-vivo O=C(O)c1ccc2cc(C3CCCCC3)c(-c3ccccc3)nc2c1 40566877 VSZLFQFTLYETDE-UHFFFAOYSA-N 331.415 5.648 0 1 EKAF CC(C)(C)CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 66113422 AOKSLNJGKPKMQZ-UHFFFAOYSA-N 345.446 5.185 0 1 EKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCOC 72106545 QYPVAMMLDNDXEB-OEBXLPCGSA-N 342.523 5.463 0 1 EKAF CC(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265737 OWJDEPLXSNLLNS-OAQYLSRUSA-N 336.866 5.489 0 1 EKAF CN1[C@H]2CC[C@H]1[C@@H](/C=C\c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 169371408 VQILFFVIWGYQHG-NKFJWFPVSA-N 337.894 5.620 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930493 LNZVFVDXQMOFRR-VSONCLMKSA-N 332.528 5.900 0 1 EKAF Fc1ccccc1CCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587149204 HTZYHDRELUFQOW-UHFFFAOYSA-N 340.345 5.099 0 1 EKAF Fc1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1Br 587210246 LBLGSBCDCLUNBR-UHFFFAOYSA-N 346.174 5.041 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)nc2cccc3c2c1CC3 587211205 NEZQVEWLDLTPSU-UHFFFAOYSA-N 330.475 5.705 0 1 EKAF Cc1ccccc1[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587526554 VRMKCXOPYAUFJM-DEOSSOPVSA-N 348.486 5.781 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)c(Cl)c1 587627774 ASEVNWYENZVIRA-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF CCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820780 QZKAUTBQDGAFHG-VSKIFQFYSA-N 338.264 5.076 0 1 EKAF COc1ccc2cc([C@@H](C)c3nc4cc(C)c(C)cc4[nH]3)ccc2c1 587934276 ILKYHDNWZKYWLI-OAHLLOKOSA-N 330.431 5.493 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C1 587970142 ZQDQZXJZPQZNDG-HZPDHXFCSA-N 334.463 6.285 0 1 EKAF CCC=CCCCCCCCCCCCCCc1cccc(O)c1 2356635750 JPHAKEDNYULIKY-UHFFFAOYSA-N 330.556 7.582 0 1 EKAF CN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1 195420964 WFNKSKBXGDSPKW-GJZGRUSLSA-N 334.438 5.319 0 3 EKAF O=C(O)COc1cc2cc(C3CCCC3)sc2c(Cl)c1Cl 26385815 JLCQFGKZFWUYHN-UHFFFAOYSA-N 345.247 5.329 0 1 EKAF Oc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 34465492 QEDDROWYBFKZSH-NRFANRHFSA-N 348.833 5.401 0 1 EKAF Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(F)c1 66101663 RLLXMBXXQKPIKQ-UHFFFAOYSA-N 329.378 5.049 0 1 EKAF O=C(C[C@@H](Sc1ccccc1)c1ccc(O)cc1)c1ccccc1 72114127 IVGMOQKGKBEPMO-OAQYLSRUSA-N 334.440 5.499 0 1 EKAF CCC/C=C1/CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 72974635 BQVHFOPMRIIBJO-ANQKGDNMSA-N 340.507 5.983 0 1 EKAF CCC1=C(CCC(C)C)/C(=C/[C@@H](C)CCC[C@@H](C)CC(=O)O)CCC1 263621219 XIXDFZCDSAMZDB-CDDVYSJNSA-N 348.571 7.157 0 1 EKAF in-vitro CCCCC1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 586893770 YNFQJHOYFDSMCP-UHFFFAOYSA-N 326.818 5.959 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cccc(F)c2[nH]1 587241616 ZINCBWZBNZVCNG-UHFFFAOYSA-N 333.366 5.121 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3ccccc3o1)(C(C)(C)C)O2 587411796 KLFJPTWVGDFJQC-QFIPXVFZSA-N 349.430 5.230 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC(C)C)(C(C)(C)C)CC2=O 587491702 YOYBZCJMGKGHES-OAQYLSRUSA-N 332.484 5.531 0 1 EKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 587624714 SJSKBSGBELQPQP-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccncn3)c2c1 587643295 CVIUHIBJOIGRTN-OAHLLOKOSA-N 327.431 5.805 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc2ccccc12 587871291 FCSCLBDTMMOJLI-UHFFFAOYSA-N 332.378 5.230 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587950700 CAVYGABQUJUURF-RBOXIYTFSA-N 340.389 5.628 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587951617 HSRSPCHURHJXPL-UVWXRNBGSA-N 341.282 5.916 0 1 EKAF Fc1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)ccc2[nH]ccc12 962667783 MDRJCYCVEJMSTO-QHCPKHFHSA-N 342.417 5.209 0 1 EKAF CCCN1[C@H](c2ccc([C@H]3CCCCO3)o2)c2ccccc2C[C@H]1C 963240611 KXFQUXCHDHVTEH-PERKRYKHSA-N 339.479 5.267 0 1 EKAF CCCN1[C@H](c2c[nH]c3cc(Cl)ccc23)c2ccccc2C[C@H]1C 963240734 LJYOVHWUBCDXKT-SZNDQCEHSA-N 338.882 5.567 0 1 EKAF Fc1cccc(F)c1-c1c(Cl)ncn1-c1ccccc1Cl 1772618721 VVQGLBUGCZOGAD-UHFFFAOYSA-N 325.145 5.124 0 1 EKAF CC(C)[C@@H]1C=C[C@]2(C)Oc3ccccc3C[C@H]2CC[C@](C)(O)CC1 2356454562 PHENPXQNEKYPGI-GWWHBBDRSA-N 328.496 5.150 0 1 EKAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](OC(C)=O)C[C@@H]2C(C)(C)CCC[C@]12C 2356512852 HGALRQOZWPGLJI-UWRIJYQHSA-N 348.527 5.044 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)CC[C@H]2[C@@H]1[C@H]4C2(C)C 13376903 YNDNDGLKKJXJED-CAUJTMRQSA-N 331.459 5.930 0 1 EKAF in-man CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@@](C)(CCC=C(C)C)CC2 13463010 ABVFMWBMLLVZDP-QKKBWIMNSA-N 346.467 5.157 0 1 EKAF biogenic Clc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1 13492974 VFPIRSDEIXZQJN-UHFFFAOYSA-N 325.843 5.401 0 1 EKAF C/C(=C\CCc1ccoc1)C[C@H](O)C[C@H](C)CCCc1ccoc1 15222710 SFDYMPBPKHWFDV-SREFCMODSA-N 330.468 5.552 0 1 EKAF CO[C@H](/C=C(\C)CCCc1ccoc1)C/C(C)=C/CCc1ccoc1 34622969 ASJBULIYJCSZNV-RXXPWKEUSA-N 342.479 6.126 0 1 EKAF Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1 37858316 PLXYCTXKBDOHAI-UHFFFAOYSA-N 340.430 5.361 0 1 EKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(C)cc2Cl)cc1 40395210 JPUYHIJAMFRHGL-LJQANCHMSA-N 340.854 5.364 0 1 EKAF C[C@H](Oc1cccc2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43072443 FTMVBXPUBUANMQ-AWEZNQCLSA-N 349.821 5.214 0 1 EKAF CCCCC[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CCCC=C12 253855720 XMTVISLAECGBLA-XFZUSGCJSA-N 342.567 6.715 0 1 EKAF Cc1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587057698 CXRBUYNFOFMSMG-UHFFFAOYSA-N 349.659 5.072 0 1 EKAF Cc1ccc(C)c2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc12 587070928 YJIUMJKNBKUXOP-ZDUSSCGKSA-N 326.827 5.210 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Cc1ccc(OC(F)F)cc1 587624684 PBMBGAIPEJGBKP-UHFFFAOYSA-N 335.781 5.630 0 1 EKAF CC(C)(C)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587921326 ULUMBFDCMZRDKU-UHFFFAOYSA-N 327.880 6.428 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)([C@@H]2C[C@H]2c2cccs2)N1 962945035 IQIRUMKVBMGSQT-TXRZWFJJSA-N 336.504 5.173 0 1 EKAF C=C(Br)C(=CCl)CCC(Br)=C(C)C 2356557689 XRSOAZAPIYLVSV-UHFFFAOYSA-N 328.475 5.487 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)[C@]1(C)CCCC(C)(C)[C@@H]1CC2 14695580 GOFVGQQVAVJCMR-UNMCSNQZSA-N 328.496 5.766 0 1 EKAF biogenic CC(C)=CCC/C=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 27183454 KHJUYFXUKNFQOV-XOPAWIAISA-N 328.496 6.176 0 1 EKAF Oc1ccc(-c2nc(CN(c3ccccc3)C3CCCCC3)co2)cc1 72102331 MQYRDVYATDAPFH-UHFFFAOYSA-N 348.446 5.387 0 1 EKAF Cc1cccc(N(C)CC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107456 AGWVKMGAXJWYJH-QHCPKHFHSA-N 337.507 5.348 0 1 EKAF Cc1ccc(NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 103293695 IBDMVJQKKYZMNR-UHFFFAOYSA-N 333.416 5.402 0 1 EKAF CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)ccn1 299830868 YNJOUQSEOSVLRB-UHFFFAOYSA-N 328.868 5.786 0 1 EKAF Cc1ccc(N(C)C(=O)c2ccc(-c3ccc(C)c(C)c3)s2)cc1 299839816 ZLQQRLAGKRIWCP-UHFFFAOYSA-N 335.472 5.617 0 1 EKAF Cc1cc(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160974 JOXLQDVMQIFQPR-ZIAGYGMSSA-N 345.215 5.044 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c12 587242339 SXSAJJDMCRXSMY-UHFFFAOYSA-N 341.842 5.176 0 1 EKAF Cc1ccnc2c1CCN[C@@]2(CC(C)(C)C)c1ccc(Cl)c(F)c1 963070567 OKEPEDKDCMVQSU-FQEVSTJZSA-N 346.877 5.008 0 1 EKAF CC1(C)CCc2ccccc2[C@]2(C1)c1c(F)cccc1C[C@@H]1CCCN12 963102747 FZIXIPXOTYMDPJ-YADARESESA-N 349.493 5.452 0 1 EKAF COc1cc(/C=C/c2ccc(OC)c(CC=C(C)C)c2)cc(OC)c1 1857557012 IYZCXRZQLCNWOY-BQYQJAHWSA-N 338.447 5.392 0 1 EKAF CCCc1ccc(-c2cn([C@H]3CCCCc4ccccc43)nn2)cc1 1857582212 GXKLPZJNVPPTRQ-QFIPXVFZSA-N 331.463 5.213 0 1 EKAF Cc1cccc(-c2nc(Nc3cc(F)ccc3C)c3ccccc3n2)c1 2452254 SFWHJJCPOUOJQT-UHFFFAOYSA-N 343.405 5.796 0 1 EKAF CC(C)[n+]1ccc(C=C2C=Cc3ccccc3N2C)c2ccccc21 13732297 UHDVYQSRZWKNOD-UHFFFAOYSA-N 327.451 5.212 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@@H]1CCC(=O)O1 28338081 XXDCQILFOJEYSU-MWRKSYAASA-N 342.523 6.614 0 1 EKAF Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043638 PFUXODWITQFWRK-CYBMUJFWSA-N 338.882 6.494 0 1 EKAF O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 59714702 BWNUDKFBKGPSBH-UHFFFAOYSA-N 348.398 5.075 0 1 EKAF CC(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 72104352 XJDROCPAEDANPH-UHFFFAOYSA-N 344.867 5.601 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@@H]14 84757301 UGGAILYEBCSZIV-ZTCOWCNDSA-N 342.479 5.146 0 1 EKAF in-man Cc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1Cl 586978079 WNJBGBDWLUAIMJ-UHFFFAOYSA-N 349.659 5.186 0 1 EKAF CC(C)(C)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152384 MHOLXUDNDHKBTI-KBPBESRZSA-N 326.390 5.410 0 1 EKAF CCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365609 MNZKLILCTJFUJW-UHFFFAOYSA-N 345.442 6.308 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1 587936692 YJORDXJENMETDW-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF Cc1c2n(c3ccccc13)C[C@H](C)O[C@H]2c1ccc(C(F)(F)F)cc1 653822824 MFUWJZAUPKOBAX-BUXKBTBVSA-N 345.364 5.477 0 1 EKAF C[C@@H](Cc1ccccc1)[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962660217 HNZRGLKVCPUNBF-UQBPGWFLSA-N 341.498 5.593 0 1 EKAF Cc1cc(O)cc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1 1857769218 ZZXYAXZHOIKSIC-UHFFFAOYSA-N 327.387 5.054 0 1 EKAF CCCCCC=CCC=CC=C[C@H](O)CC=CCCCC(=O)OC 2356306141 FEVDXZUVWOIUKK-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CO[C@@H]1C2=C(CC[C@@H]1C(C)C)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 2356697722 NAFHEAGJURRYHU-BOCLWZTGSA-N 334.500 5.055 0 1 EKAF CC(C)c1ccc2c(c1Cl)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13302831 OFNBZEHVLIXXFL-PWIZWCRZSA-N 334.887 5.558 0 1 EKAF biogenic C[C@H](C(=O)O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 14978966 XYKVAQZEXQPNRN-INIZCTEOSA-N 331.415 5.154 0 1 EKAF CCCCCn1c(C)c(C(=O)Cc2cccc(F)c2)c2ccccc21 28459902 STCKLQNFQVHGSM-UHFFFAOYSA-N 337.438 5.704 0 1 EKAF in-vivo c1ccc(CN(c2ccccc2)c2ncc(-c3cccs3)s2)cc1 71317402 QPOXIDVOJPPJQL-UHFFFAOYSA-N 348.496 6.210 0 1 EKAF CCOc1ccc(-c2nc(CN3c4ccccc4CC[C@H]3C)co2)cc1 72183453 YXQXTQGLOUXQGI-MRXNPFEDSA-N 348.446 5.082 0 1 EKAF O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2F)nc1 113898645 WTGXDZJBBPKNQC-UHFFFAOYSA-N 348.377 5.207 0 1 EKAF COc1ccc(/C=C/CCCC/C=C/C=C/C(=O)NCC(C)C)cc1 138934186 IAWYRTFTWHDMDC-JPSRSCNUSA-N 341.495 5.153 0 1 EKAF CN(C)c1ccc([C@H](C[C@@H](N=O)c2ccccc2)c2ccccc2)cc1 169730269 YEKDMJNHXWXNCA-DHIUTWEWSA-N 344.458 5.782 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587067940 VMVUANRLFYRQMK-SECBINFHSA-N 339.197 5.457 0 1 EKAF Fc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c(F)c1F 587073882 NHYARGBAESKMHO-UHFFFAOYSA-N 336.744 5.104 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccccc1)C4)-c1ccccc1C2=O 587099963 BMXZABZJGMKRKD-LJQANCHMSA-N 347.417 5.443 0 1 EKAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)(C)C 587105900 BOFHCXLPXDORKZ-NRFANRHFSA-N 343.426 5.165 0 1 EKAF CCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366698 YOSIWPOGSZGJGS-UHFFFAOYSA-N 331.415 5.999 0 1 EKAF O=C1C[C@@H](c2cc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 587508325 UWLCLZXXPOWBJI-SFHVURJKSA-N 330.786 5.064 0 1 EKAF Cc1nc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587535251 JZLPBRYKKLVYAE-IBGZPJMESA-N 349.455 5.190 0 1 EKAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2ccc(F)c(Cl)c12 587628501 MLFCQBBVFHHOOF-UHFFFAOYSA-N 338.165 5.189 0 1 EKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(F)(F)F)cc1 587629612 FAWMJPMNIMZZCK-UHFFFAOYSA-N 331.671 5.785 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587951664 IGMVIAPDIVOFRC-BREBYQMCSA-N 342.270 5.311 0 1 EKAF CC(O)=CCC(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C 2356677054 FVWXABANHCYFTJ-UHFFFAOYSA-N 330.424 5.082 0 1 EKAF CC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 3989613 AZWATKGVDUSMSO-MRXNPFEDSA-N 347.458 5.329 0 1 EKAF Clc1cccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)c1 5933074 ZXWPVGXBUOXTBW-UHFFFAOYSA-N 346.044 5.698 0 1 EKAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1 32225567 QDSWHJNTSPBQME-GDVKCFTOSA-N 330.468 5.164 0 1 EKAF biogenic COc1ccc(CC(=O)Oc2c3ccccc3cc3sccc23)cc1 35080149 ZERQCHZYVYXNQN-UHFFFAOYSA-N 348.423 5.211 0 1 EKAF CC(C)=CCN1C[C@@H](C)n2c(=S)[nH]c3cc(Cl)cc(c32)[C@@H]1C 49088990 LXUIDLUICHOTAX-NEPJUHHUSA-N 335.904 5.256 0 1 EKAF COc1cccc(C(=O)C[C@H](Sc2ccccc2)c2ccco2)c1 103168695 AOOMZAWLSDDUCO-FQEVSTJZSA-N 338.428 5.395 0 1 EKAF O[C@@H](c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1 169312332 GOSGVZPGWPVDGF-QFIPXVFZSA-N 329.374 5.123 0 1 EKAF CC(=O)O[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)/C(C)=C\CO 238787716 XXKXYCZWYIZXHT-UNQZITCLSA-N 348.527 5.046 0 1 EKAF CCc1oc2ccccc2c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586903257 HVFRZNLECWNSCS-UHFFFAOYSA-N 346.308 5.437 0 1 EKAF Clc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587051015 RJBRDHPYHCKTBQ-HTQZYQBOSA-N 338.625 5.189 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587232961 GQNOIKPZVOAHFY-UHFFFAOYSA-N 349.437 6.092 0 1 EKAF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)c1coc2ccc(Cl)cc12 587278098 GQIUCNXDDDOEHP-NSHDSACASA-N 349.213 5.698 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)c2c(C)cccc21 587483721 RTHAFJAEFFEUPT-FPTDNZKUSA-N 336.431 5.021 0 1 EKAF Cc1c(CCc2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632576 KKRUYHMOMWKSNF-UHFFFAOYSA-N 332.216 5.163 0 1 EKAF Cc1cc(C)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587950108 PKTGDMKLVXIHCF-UHFFFAOYSA-N 328.415 5.563 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(Cl)nc3[nH]2)cc1 587960255 WZQBCHLIRNPCIO-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CCc1nc(Nc2c(C)cccc2C)c2c3c(sc2n1)CCCC3 1772618252 UJXHVKLUXAUDOY-UHFFFAOYSA-N 337.492 5.493 0 1 EKAF CC(C)=C1CC[C@H](C)[C@@](C)(Cc2c[nH]c3ccccc23)[C@@H]1CCCO 2356597883 XKDCSKJZLVZVRD-AMHTUMDSSA-N 339.523 5.872 0 1 EKAF CCC(C(=O)Nc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F 3124617 UFVNCLVWAAQMPO-UHFFFAOYSA-N 349.274 5.299 0 1 EKAF biogenic CCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12 13741395 QCZNJMNZZBRTHD-BSYVCWPDSA-N 338.882 5.434 0 1 EKAF CN(C)C[C@@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 26986827 IOEICCJZXSKQEL-CDWFLDLYSA-N 337.551 5.574 0 1 EKAF CCCC[C@@H]1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27080010 YKQNBGVCIMLMLA-NRFANRHFSA-N 347.502 6.893 0 1 EKAF CN(C)C1CCC2(CC1)O[C@H](c1ccc(Cl)cc1)c1ccccc12 27719652 HBLUFYAYBNIHDN-TWMPVWRBSA-N 341.882 5.159 0 1 EKAF CN1CCC2(CC1)S[C@@H](c1ccccc1Cl)c1ccccc12 27876234 OQUABUJYMPEQKD-GOSISDBHSA-N 329.896 5.097 0 1 EKAF COc1ccc([C@@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 49625867 IFNDDKOQSXJXPR-QFIPXVFZSA-N 342.442 5.003 0 1 EKAF CC[C@H](C)c1ccc(-n2c(=S)oc3ccc(F)cc3c2=S)cc1 64573684 PGCLGRVFOVELJP-NSHDSACASA-N 345.464 6.335 0 1 EKAF Oc1ccc(-c2csc(-c3ccc(O)cc3Cl)c2)c(Cl)c1 95587882 CXTQGKLQFBDHGW-UHFFFAOYSA-N 337.227 5.800 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCOc1ccc(C(=O)O)cc1 169336665 WERASHDCYFCSIE-MOPGFXCFSA-N 348.527 6.423 0 1 EKAF O=C(O)C[C@H](c1cccc(-c2ccc(Cl)cc2)c1)c1nccs1 221096226 ATFGRUXZMJBLRB-MRXNPFEDSA-N 343.835 5.070 0 1 EKAF Oc1ccccc1-c1cc(-c2ccsc2)cc(-c2ccccc2O)n1 473136097 WZUVSFVAWXYYBC-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(C)c3[nH]2)c1 586881534 HAHJIVRHXGIVSV-UHFFFAOYSA-N 340.426 5.386 0 1 EKAF Clc1cc(Cl)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587026830 YFTIVUWFOQQFRO-UHFFFAOYSA-N 345.254 6.265 0 1 EKAF Clc1cnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1Cl 587088349 YAUNKZZBNMLAHZ-UHFFFAOYSA-N 337.597 5.066 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CCCC[C@H]1C3 587207440 KSJJHPCBTKZFHF-LSDHHAIUSA-N 339.438 5.351 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c(C)c(C)[nH]c13)CC2=O 587481584 GVJJSQANDNJUJH-FQEVSTJZSA-N 349.430 5.149 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(SCC)c1)CC2=O 587491575 LPMBVZMQPXJJGX-IBGZPJMESA-N 342.460 5.163 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccccn2)cc1 587627441 WIFHBGJSXWVBCX-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF Cc1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1C 587921096 SCMSCKMUASYSRW-UHFFFAOYSA-N 331.843 5.810 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587951814 SKLZMBIQEWKKSC-HNNXBMFYSA-N 344.458 6.154 0 1 EKAF Fc1c(Br)cc2nc(CC3CCCCCC3)[nH]c2c1F 587960403 IMQYGONBURYZJW-UHFFFAOYSA-N 343.215 5.117 0 1 EKAF Cc1ccc2ccccc2c1[C@@H](O)c1nc(-c2ccc(Cl)cc2)c[nH]1 61895646 NNKDHOSBHRPWBB-HXUWFJFHSA-N 348.833 5.273 0 3 EKAF CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)N[C@@H](C)C(=O)O 8689977 LVTFNNBTFWSMKE-VXAMVLJISA-N 349.515 5.165 0 1 EKAF CCN(CC)CCSc1nc2ccccc2cc1-c1ccccc1 26376826 PNUQRWZCLQJCOF-UHFFFAOYSA-N 336.504 5.336 0 1 EKAF CC(=O)c1ccc2c(c1)[C@@H](C[C@H](C)CN(C)C)c1ccccc1S2 27741908 UANDJSJLPRJVNB-KSSFIOAISA-N 339.504 5.074 0 1 EKAF CCCOc1ccc(NC(=S)Nc2ccc(OCCC)cc2)cc1 33488173 MKKOMLHZQBUJMH-UHFFFAOYSA-N 344.480 5.073 0 1 EKAF c1cncc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)c1 40952903 LUABWSABYKUQIG-UHFFFAOYSA-N 343.434 5.297 0 1 EKAF CO[C@]1(c2ccccc2)C=CC(C2CCCC2)(C2CCCC2)OC1 103215743 KGVQCJPZMAXLCF-OAQYLSRUSA-N 326.480 5.234 0 1 EKAF CCc1ccccc1-c1c(C)nc2cc(OC)c(Cl)cc2c1O 299821611 JZZMVMRPGKGGLO-UHFFFAOYSA-N 327.811 5.140 0 1 EKAF CCc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1Br 586977671 OXNJEFUOZAQWLP-UHFFFAOYSA-N 349.659 5.517 0 1 EKAF Oc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(Cl)c1 587053633 HIQIJOCSPZFUOR-UHFFFAOYSA-N 347.123 5.261 0 1 EKAF CCc1c(C(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099390 HABDDHYAFJFVIP-UHFFFAOYSA-N 329.443 5.615 0 1 EKAF C[C@@H]1[C@@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526070 QRYONBCZKPLKRB-ZNRXUEPQSA-N 332.443 5.093 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3F)c(OC)c2c1 587643136 RUEHENUWGQMOFQ-LLVKDONJSA-N 331.818 6.150 0 1 EKAF Cc1cccc2c1C[C@@]1(CC2)NCCc2cccc(-c3ccccc3)c21 962671126 RZCYCDHGROLMJY-RUZDIDTESA-N 339.482 5.192 0 1 EKAF O=C1C=CC[C@@H](c2ccc(CCc3ccccc3)c3ccccc23)O1 1772634831 ZTINOSONRJANKQ-QFIPXVFZSA-N 328.411 5.169 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C\CC[C@@H](C)/C=C/[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 18031741 QPIUBKNTZMBLLI-ZJBVBQIESA-N 348.527 5.044 0 1 EKAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC1CC1 25963030 VFUUEBWDCNNJEJ-GVUKCBQMSA-N 328.496 5.066 0 1 EKAF N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12 26490783 MFNVQXXBOMHUHH-UHFFFAOYSA-N 337.426 5.966 0 1 EKAF Oc1ccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40973678 LNNZPBINNIGZDG-OAQYLSRUSA-N 347.439 5.456 0 1 EKAF CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2[nH]c3ccccc3n12 73160422 FIEHAKARNKNOSI-UHFFFAOYSA-N 338.842 5.346 0 1 EKAF COc1ccc(Cl)cc1C(=S)Nc1ccc(C(F)(F)F)cc1 84688260 CBPVFOSHSGTRNL-UHFFFAOYSA-N 345.773 5.155 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586880772 HAEYNKOAJITLGX-UHFFFAOYSA-N 332.369 5.936 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586882212 WBXQXLCWTQUCQF-UHFFFAOYSA-N 348.368 5.816 0 1 EKAF Cc1cc(F)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048476 HTEHFSSBSJUZBX-ZJUUUORDSA-N 335.209 5.588 0 1 EKAF c1ccc(CCc2nc3cccc4c3c(c2Cc2ccccc2)CC4)cc1 587214836 ZYICKEIATTVYTG-UHFFFAOYSA-N 349.477 5.709 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3oc4ccccc4c3c1)O2 587410838 GQACZDOSJAJRIJ-OAQYLSRUSA-N 343.382 5.183 0 1 EKAF Oc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629835 KBCMQIQZHBNNRN-UHFFFAOYSA-N 329.680 5.352 0 1 EKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638812 QTDAKAOJKUYSCS-UHFFFAOYSA-N 327.811 5.385 0 1 EKAF FC(F)(F)c1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587920076 CSLBXPAORIZSJR-UHFFFAOYSA-N 339.769 6.149 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356459239 DEKPALIRJFSIQW-SJBKTWHCSA-N 332.528 6.075 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)c1ccccc1O 2356536507 LSZKCJWMCQOQTJ-UHFFFAOYSA-N 340.507 6.774 0 1 EKAF C=CC(C)=CC=C[C@@](C)(C[C@@H](C=C(C)C)OC(=O)C(C)=CC)OC 2356645163 HMWSUTVUCYCWMI-CTNGQTDRSA-N 332.484 5.314 0 1 EKAF O=C1c2ccccc2CCC[C@]12N=NC[C@@H]2c1cccc2ccccc12 4419779 QQKNZXTUPKTGRU-FYYLOGMGSA-N 340.426 5.347 0 3 EKAF aggregator CC(C)=CCc1c(O)cc(/C=C\c2ccccc2)c(CC=C(C)C)c1O 13378302 WGNKBWUNUUKYBR-SEYXRHQNSA-N 348.486 6.286 0 1 EKAF CC1=C[C@H]2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)[C@H]2CC1 14649974 DYHMKBLKWFFFSZ-UXHICEINSA-N 348.486 5.788 0 1 EKAF biogenic CSc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1 28710925 FSNCQAFYBNJJDF-UHFFFAOYSA-N 348.393 5.588 0 1 EKAF CC(=O)OC/C1=C\C[C@@H]2CC[C@](C)(O)[C@@H](CC/C(C)=C/CC1)C2(C)C 33836473 ONBYNDRDNDICPR-NHUDBVNLSA-N 348.527 5.190 0 1 EKAF C[C@@H](Cc1ccccc1)NCC=C1c2ccccc2-c2ccccc21 45358568 VYLKKFYXAINZOE-SFHVURJKSA-N 325.455 5.320 0 1 EKAF c1ccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 139348112 BDLNOBIWFLKESC-UHFFFAOYSA-N 340.386 5.075 0 1 EKAF CCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCF 169344973 ITMSLOTUVIPTJJ-YDGHHFCFSA-N 335.507 5.828 0 1 EKAF C[C@H](N=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169684359 YNMJLRBUCXPPSH-QKKLPCMMSA-N 329.484 5.001 0 1 EKAF C/C(=C\CC/C(C)=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O 238740392 HCVPUYBRWDQARC-CBWMIROOSA-N 334.456 5.281 0 1 EKAF biogenic,in-vitro CCCCC1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 586890273 OAILUOMEWICXOC-UHFFFAOYSA-N 336.277 5.184 0 1 EKAF COc1ccc(C=O)c2cc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)oc12 586902679 BPJWTUYTFSAXCZ-UHFFFAOYSA-N 348.402 5.095 0 1 EKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(Cl)c2[nH]1 587011105 GRBWZUHMIOUIOB-UHFFFAOYSA-N 339.851 5.239 0 1 EKAF CSC(C)(C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208628 CUHBGORZPUEFDT-UHFFFAOYSA-N 333.456 5.130 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)nc2cccc3c2c1CC3 587210311 NWJVESMEQOVHOY-UHFFFAOYSA-N 327.349 5.582 0 1 EKAF COc1cccc(-c2cc(COC(C)C)nc3c2oc2ccccc23)c1 587364162 YLJZWMLBGBTHBH-UHFFFAOYSA-N 347.414 5.582 0 1 EKAF CCCCCC[C@@H]1CCC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587478281 FKRPJUFYVCYCFK-ZHRRBRCNSA-N 344.495 5.819 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)cc1 587935481 MACSSRNJQJKFRI-UHFFFAOYSA-N 342.398 5.108 0 1 EKAF COc1ccc(CN2c3ccccc3CCc3ccccc32)cc1F 1772573624 ZZFSHTTUYZUNFE-UHFFFAOYSA-N 333.406 5.271 0 1 EKAF CCCCCC=C[C@@H](O)C=CCC=CCC=CCCCC(=O)OC 2356558621 GRRPXEZUTRCEEY-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(C)C(CO)=CCC[C@@]21C)CC(=O)O 2356652241 UQUZGMJKYGHBTQ-HVXMAHFMSA-N 336.516 5.039 0 1 EKAF CCC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2 2356698619 FMPYPHJPXNPQNT-ZUOKHONESA-N 340.419 5.070 0 1 EKAF CCCCCC=CCC=CCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1C 2356856694 SCTYQWLAJFDWLI-VSKRKVRLSA-N 345.571 6.072 0 1 EKAF CCCCC/C=C/C/C=C\CCCCCCCC(=O)OCCCC 20230397 SVGGKWILBMPIJV-FWIFIWDMSA-N 336.560 7.143 0 1 EKAF c1ccc2c(c1)Oc1ccccc1C2SCCCN1CCCCC1 25967876 KWRQRMUJSGIDJE-UHFFFAOYSA-N 339.504 5.491 0 1 EKAF CC1(C)CCC(C)(C)c2cc(CNc3ccccc3C(=O)O)ccc21 26380362 LGHMEMSDXNEIGK-UHFFFAOYSA-N 337.463 5.346 0 1 EKAF Fc1cccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 28119538 FEOPHJDOPNEXKE-ZRZAMGCNSA-N 344.433 5.243 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@@H]1CC[C@H](O)O1 28341453 IMGRHWYIBGFQEG-QQBHURPTSA-N 342.523 6.182 0 1 EKAF CC(C)SC(=S)SCC(=O)c1ccc(Cl)c(Cl)c1 28709967 JMNLJNWUEJOUJI-UHFFFAOYSA-N 339.334 5.336 0 1 EKAF Cc1ccc(Oc2ccc(C(C)(C)C)cc2Cl)c(CC(=O)O)c1 28765498 APVZNDLVGBWEDI-UHFFFAOYSA-N 332.827 5.365 0 1 EKAF O[C@@H]1c2ccccc2CC[C@]1(/C=C/c1ccccc1)Cc1ccccc1 71334474 WHLQSFMFSZFEKH-PJEYCIDESA-N 340.466 5.609 0 1 EKAF CCCC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O 238787014 GJUNKDKCJGOYBV-MRVDYPQZSA-N 330.512 6.773 0 1 EKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C 255273367 VNTGXCRNEJTLEX-MHYDGWTMSA-N 343.555 5.085 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895132 QGOGZFVDXOYVIR-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF C[C@H](SCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586963884 ROYFECVGJHIFQK-VIFPVBQESA-N 338.263 5.259 0 1 EKAF Cc1c(Br)cc2nc(/C=C/c3ccsc3)[nH]c2c1C 587025319 IAUXQWCKVPTYAU-ONEGZZNKSA-N 333.254 5.174 0 1 EKAF CC(C)(C)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037167 SVKHFUOXBZOKLK-INIZCTEOSA-N 328.506 5.301 0 1 EKAF Oc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062085 BOPZLOYRLANSGG-UHFFFAOYSA-N 334.806 5.180 0 1 EKAF FC(F)(F)c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085707 BZBVVEDXZHSEFL-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF COc1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095946 ZXHLWLPJVBGZOF-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF CC(C)=CCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099264 DNXHVPJOYCWBBF-UHFFFAOYSA-N 327.427 5.572 0 1 EKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)o1 587101379 MQZHGIUNIKCUGQ-UHFFFAOYSA-N 339.394 5.631 0 1 EKAF COc1cccc(-c2cc([C@H]3CCCN3)nc3c2oc2ccccc23)c1 587364081 WVMQCCGYNUJSII-GOSISDBHSA-N 344.414 5.081 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1C)(C(C)C)CC2=O 587491801 ZMXZENWDXCEFEM-QFIPXVFZSA-N 338.447 5.170 0 1 EKAF CCN(CC)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625244 DCBLMIGUWFCFDE-UHFFFAOYSA-N 338.295 5.360 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587950303 AWAIOJQACFVPKS-UMNHJUIQSA-N 342.270 5.311 0 1 EKAF FC(F)(F)C(F)(F)c1cc2nc(CC3CCCCCC3)[nH]c2cn1 587960271 GTKSDKGSJQUPSQ-UHFFFAOYSA-N 347.331 5.125 0 1 EKAF C[C@H]1CCC[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857764341 WFCZOYREXFSPGA-UWVGGRQHSA-N 342.386 5.080 0 1 EKAF COc1cc(O)cc2c1O[C@](C)(CCC=C(C)CCC=C(C)C)CC2 2356489512 AGTZADIUWFBQKI-JOCHJYFZSA-N 344.495 5.957 0 1 EKAF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4ccoc4cc3O[C@@H]21 2356619021 QXWUDAROFYQULE-VGSWGCGISA-N 348.398 5.257 0 1 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1cc(C)cc(C)c1 205706464 HTNBCAVRQOCHPD-BIXGBWIQSA-N 329.484 5.991 0 3 EKAF Cc1cc2c3ccccc3n3c2c2c1O[C@@]1(C)CC[C@@H]([C@@H]2C1)C3(C)C 5553012 YPSWCORASQDCJM-QQMNAOGKSA-N 331.459 5.886 0 1 EKAF endogenous,in-man CC(C)(C)c1ccc(C2=Cc3cc(Cl)ccc3C3=NCCN23)cc1 13740228 SAIHPDTXXDQRSJ-UHFFFAOYSA-N 336.866 5.211 0 1 EKAF CCCCNc1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C 13762225 LMJQHDOSKSGDCE-UHFFFAOYSA-N 336.483 5.175 0 1 EKAF CCN(CC)CCCCCCCCOC(=O)c1cc(C)c(C)c(C)c1 27299319 JAVVRINAIODZRM-UHFFFAOYSA-N 347.543 5.451 0 1 EKAF CCc1cc(O)ccc1[C@@H](CC)[C@@H](CC)c1ccc(O)cc1CC 40466129 NGRQTZPPDYHJSO-BGYRXZFFSA-N 326.480 5.910 0 1 EKAF C[C@@H](Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)c1ccccc1 82162052 TXYGAWSHPCYZKB-CYBMUJFWSA-N 343.352 5.336 0 1 EKAF CCOc1ccc(-c2cc(N[C@@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162269 PTWZHLQEPJYFED-DOTOQJQBSA-N 339.483 5.169 0 1 EKAF Oc1ccc(Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 87612845 WKBNIIONWVCXED-UHFFFAOYSA-N 337.231 5.566 0 1 EKAF CC(C)n1cncc1-c1cccc(OCc2ccc(Cl)cc2)c1 103199986 SNLSXMKAZDQKFI-UHFFFAOYSA-N 326.827 5.363 0 1 EKAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCN=O 169684310 XWXDGLDMLXDRKR-DUKDSOSXSA-N 331.500 5.083 0 1 EKAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]2CC1 169718540 YRAUEQUGXBLDBJ-PHIMTYICSA-N 337.341 5.052 0 1 EKAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]12 254156533 QPIUBKNTZMBLLI-OUNJQYEHSA-N 348.527 5.044 0 1 EKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4ccccc4cc3[nH]2)s1 587015186 ZUNVVVUNPSVXCV-LBPRGKRZSA-N 337.448 5.246 0 1 EKAF CCCCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520600 ANGJWPHPOIGENB-DEOSSOPVSA-N 348.486 6.006 0 1 EKAF CC(C)(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534883 FQYMONLKKWOUTM-QGZVFWFLSA-N 341.476 5.026 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587951616 HSRSPCHURHJXPL-USBNGQNGSA-N 341.282 5.916 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc3ccccc23)N1 962942555 FWIBGLQLZYAMEK-IVZQSRNASA-N 342.442 5.040 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(F)cc1)C(C)(C)C 963236148 XMYCWHMZNKYKOO-UZUQRXQVSA-N 339.498 5.772 0 1 EKAF Cc1ccc(Nc2ccc3c(c2)/C(=C\C2CCCCC2)C(=O)N3)cc1 1857534584 VHDZDXWEEVWHFK-DEDYPNTBSA-N 332.447 5.654 0 1 EKAF CC(=O)OCC=C(C)CCC[C@H](C)CC[C@H]1[C@H](C)CCCC1(C)C 2356471356 UMBAAYHFKZFIKK-DSKINZAPSA-N 336.560 6.545 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC2)O1 2356624705 KYCQOTHEQWKLOW-MIGIFJNASA-N 346.555 6.107 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1CC3(C)[C@H]4CC12C[C@H]43 2356627842 YGSPCCAAZJHJAH-FIIFCKRVSA-N 330.512 5.208 0 1 EKAF [O]c1c(C=C2C=CN(Cc3ccccc3)C=C2)oc2cc(O)ccc12 2356833228 NYUABTBTBNQONY-UHFFFAOYSA-N 330.363 5.209 0 1 EKAF Fc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 6854 CSXBVJCIVUUQNW-UHFFFAOYSA-N 332.353 5.689 0 1 EKAF CN(C)[C@@H]1C=C[C@@]2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 13649957 FZXSXMYFIZKXPT-DENIHFKCSA-N 335.878 5.390 0 1 EKAF CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)C 14591914 UDUFLHCKDCVNHC-UHFFFAOYSA-N 340.592 7.303 0 1 EKAF c1ccc(CSCCOc2ccc(Oc3ccccc3)cc2)cc1 27318129 ZGANUFZIVOUJTQ-UHFFFAOYSA-N 336.456 5.791 0 1 EKAF CCCCCC[C@H]1CC[C@@H](OCCCCCC[n+]2ccccc2)O1 29315758 PLOBJHMUEHCYHY-SFTDATJTSA-N 334.524 5.027 0 1 EKAF CC(C)CCN(CCc1c[nH]c2ccccc12)Cc1cccs1 71331204 ZVUXHENCVYNFLW-UHFFFAOYSA-N 326.509 5.320 0 1 EKAF CC1(C)CC(=O)[C@@H]2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)C1 169723762 QVUFWKQZYQGGPB-GCJKJVERSA-N 347.433 5.410 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586884688 XGMBQGCCEHTKGB-UHFFFAOYSA-N 338.313 5.013 0 1 EKAF c1ccc(COc2cccc3nc(-c4ccoc4C4CC4)[nH]c23)cc1 586901574 NPJVIBSLCDXOJG-UHFFFAOYSA-N 330.387 5.279 0 1 EKAF Cc1ccc(-c2nc(-c3nc4c(Cl)ccnc4[nH]3)c(C)s2)cc1 587013394 NYFYVPTWJYTJGS-UHFFFAOYSA-N 340.839 5.019 0 1 EKAF COc1ccc2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587106099 DXULTAKUIYFCPH-UHFFFAOYSA-N 349.389 5.026 0 1 EKAF Cc1cnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587164494 SIQQCJOUNLXAAK-GDNBJRDFSA-N 335.407 5.056 0 1 EKAF CC(C)Sc1ccc(CC(=O)c2coc3ccc(Cl)cc23)cc1 587279413 SBLXODBCBFSVCD-UHFFFAOYSA-N 344.863 6.012 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccc(OCCC(C)C)cc1 963005491 FIEFQHYVEHAECV-NRFANRHFSA-N 343.536 5.199 0 1 EKAF CC(C)[C@H]1C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963114154 WYVKXFVLJFNYGA-UZLBHIALSA-N 346.301 5.526 0 1 EKAF CCCCCC=CCC=CC=C[C@@H](O)CC=CCC=CCCC(=O)O 2356475248 UTYSUTLIZWEFQS-OAQYLSRUSA-N 346.511 5.744 0 1 EKAF CC(=CCl)CC=CC=CC(=O)N[C@H](C)C=CCCC=CCl 2356638887 VOWNHWSVEUWZQX-MRXNPFEDSA-N 328.283 5.225 0 1 EKAF O=C(C[C@@H](C(=O)c1ccsc1)c1cccs1)c1ccsc1 1636190 QMKYTDYBKYHNRR-CYBMUJFWSA-N 332.471 5.111 0 1 EKAF CC(=O)O[C@H]1CC(C)(C)[C@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@@]2(C)C1 13301846 VCHOJBNJCIADHY-GPQLQYNLSA-N 330.512 5.683 0 1 EKAF Oc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)C(F)(F)F)cc1 25964186 RTRMULGGHHCQSN-BUHFOSPRSA-N 332.243 5.428 0 1 EKAF CC/C(=C(\c1ccccc1)c1cccc(OC(C)=O)c1)c1ccccc1 26014926 XZPCZDLHLVESQU-VHXPQNKSSA-N 342.438 5.981 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\c1cc(CCC(=O)OC)no1 26577819 ASROXWDVPGJIKN-QUVOULIFSA-N 343.467 5.432 0 1 EKAF Cc1cc(Oc2ccccc2CC(=O)O)c(Cl)c(C)c1Cl 28768866 BPIUDTJTMLNWTO-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF Cc1ccc2c(c1)c(Sc1cccc(Cl)c1)c(C)n2CC(=O)O 38792630 FFCUWXVMSDAPAN-UHFFFAOYSA-N 345.851 5.147 0 1 EKAF Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 104099695 NLKSPRUTTRHWEA-INIZCTEOSA-N 341.842 5.222 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC3CC3)ncc2c1 144284526 FONUOVUDHGRNNK-UHFFFAOYSA-N 334.394 5.088 0 1 EKAF CCCCC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 169292832 QZTGWEZSZARWSX-GFBXCXHASA-N 342.523 6.773 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3)nc3cccc1c23 587103708 IMRAXIDKILZXIP-UHFFFAOYSA-N 325.342 5.252 0 1 EKAF Fc1cc(Cc2nc3cccc(Cl)c3[nH]2)ccc1-c1ccccc1 587145720 PUJTVCORRVUPPP-UHFFFAOYSA-N 336.797 5.613 0 1 EKAF CCC/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366076 QPNKOAGGVQCLGC-BJMVGYQFSA-N 343.426 6.470 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)CC[C@H]1C(C)C 587488487 JWGGWKZNOXMLBD-DAESXHAQSA-N 330.468 5.141 0 1 EKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523413 IOPZGULIMLCOSQ-YIFZBPKDSA-N 326.480 5.362 0 1 EKAF CCCC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813264 NWGSNIROPUEXAJ-SJCJKPOMSA-N 342.296 5.164 0 1 EKAF CSc1ccc(-c2csc([C@H](C)Cn3cc(Cl)cn3)n2)cc1 587925805 UVGYTDFZYQHEKQ-LLVKDONJSA-N 349.912 5.186 0 1 EKAF CC(C)=CCCC(C)=CCC(C)(C)COC(=O)CN1CCCCC1 2356733628 LGQICUOOAOYGCS-UHFFFAOYSA-N 335.532 5.125 0 1 EKAF CCc1c(-c2ccccc2)oc(-c2ccccc2)c1-c1ccc(O)cc1 13558574 WZCKUZOEBKHAMU-UHFFFAOYSA-N 340.422 6.549 0 1 EKAF CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1 14945081 SFGWUTHNZVSATD-UHFFFAOYSA-N 345.493 5.465 0 1 EKAF Cc1cc(Oc2ccc(Cl)cc2CC(=O)O)cc(C)c1Cl 28765435 LYFGUQAXVLBWEV-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF O=C1Cc2ccccc2Oc2c(Nc3ccc(F)cc3F)cccc21 49784676 NSEZFGYFWROKSG-UHFFFAOYSA-N 337.325 5.240 0 1 EKAF Cc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)[nH]n2)c1 95560780 FYIXOUOBQDEJBO-UHFFFAOYSA-N 340.430 5.059 0 1 EKAF COc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1 169353727 RLVFEZBYEVHNMM-UHFFFAOYSA-N 342.438 5.696 0 1 EKAF c1ccc(Oc2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884959 RTXARCHONMBZBU-YZQOHXRLSA-N 344.458 5.823 0 1 EKAF CCc1oc2ccccc2c1-c1nc2ccc(Br)cc2[nH]1 586902511 BFCOOEVQVOGQGO-UHFFFAOYSA-N 341.208 5.301 0 1 EKAF Cc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587114351 SJRWVXKFJNTRCX-GFCCVEGCSA-N 332.369 5.545 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3cncc(Cl)c3[nH]2)cc1F 587145801 RDWMNAXKGLAODV-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CCC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351392 GLNQEOPULPNEFB-JBZDTAIVSA-N 342.410 5.085 0 1 EKAF Clc1ccccc1COc1ccccc1-c1nc2cccnc2o1 1772571746 AZNKSCKUTLQUCW-UHFFFAOYSA-N 336.778 5.122 0 1 EKAF CC(C)=CCC/C(C)=C/CNC(=O)CCCc1c[nH]c2ccccc12 1772616483 ZJYFYWDKVMORJV-NBVRZTHBSA-N 338.495 5.300 0 1 EKAF CC(C)(OCc1ccncc1)c1ncc(-c2ccc3ccccc3c2)[nH]1 1911578137 UAKVHJBAVOYSMM-UHFFFAOYSA-N 343.430 5.077 0 1 EKAF c1ccc(-c2ccc(-c3cccn4cc(-c5ccccc5)nc34)cc2)cc1 1911584724 LYDMYSGBHUHGEJ-UHFFFAOYSA-N 346.433 6.335 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13302667 CZEPBGSMIRTHKN-HRAATJIYSA-N 330.468 5.195 0 1 EKAF biogenic,in-vitro CCCCC/C=C\C/C=C/CCCCCCCC(=O)OCCCC 20230400 SVGGKWILBMPIJV-WBVBYKIGSA-N 336.560 7.143 0 1 EKAF SC1=N[C@@H](c2ccccc2)[C@@H]2CCC/C(=C\c3ccccc3)C2=N1 36142506 LBWLEGNMSOTRJP-VYFKROBPSA-N 332.472 5.352 0 1 EKAF C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@@H]1C 73387993 XVWDFPZSRGALNR-STEAMIEHSA-N 344.499 5.152 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Cc3ccccc3)cc21 144800253 RDNPVWAUFBUPRC-HXUWFJFHSA-N 340.344 5.056 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccon1 253856473 ZHAAOWWJHBCHFK-UOICAXPBSA-N 341.495 5.082 0 1 EKAF CCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1CC 586880440 ZBAZAEZYKFRWDQ-UHFFFAOYSA-N 347.231 5.256 0 1 EKAF CCOCc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)o1 586903950 VZFVVHGDYMAQQR-UHFFFAOYSA-N 344.720 5.032 0 1 EKAF Cc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1F 587051417 XCKSISBNCGTYLV-UHFFFAOYSA-N 325.774 5.122 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3nc(Cl)ccc3[nH]2)cc1 587164288 PLOXOVPMVWUUHE-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF CC[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352507 JVQGXFSOEGVQGA-DRWCTHJISA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC=C(C)C)(C1CCC1)CC2=O 587489175 NHDJGDJYCCTPSY-NRFANRHFSA-N 328.452 5.205 0 1 EKAF CC(C)(C)C1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587526036 PWEASFSRJPNEOO-BPZDKFOGSA-N 340.507 5.752 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C)c2c1 587639957 AZMQPOIBJWEMLQ-GFCCVEGCSA-N 329.390 6.258 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)cc3)c2c1 587643771 WOYFFTACDHXKMW-CYBMUJFWSA-N 341.401 6.158 0 1 EKAF COc1cccc(C)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587787336 RCXMQTYJGKQDAQ-UHFFFAOYSA-N 338.354 5.159 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)c(F)cc3[nH]2)cc1 587934689 DVMUYAUFEFEVCK-NRFANRHFSA-N 346.405 5.199 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587951288 GSKKQSIQKIQNMG-HCKVZZMMSA-N 341.282 5.916 0 1 EKAF CCCC/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587966521 VLBFOEVIWTWHSF-WAYWQWQTSA-N 347.178 5.548 0 1 EKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cc(-c3ccccc3)cs1)C2(C)C 1857635748 GBRRGKPFVFFLQW-SIKIZQCASA-N 325.521 5.575 0 1 EKAF CCCCCCn1cnc2c3ccccc3c3c(c21)CCC(C)(C)O3 1857652956 AXTRRTMVQMYCRV-UHFFFAOYSA-N 336.479 5.873 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)[C@@H]2C[C@@H]1CC=C2C 2356335174 VJINTGNFGLYKKX-GVAUOCQISA-N 340.595 8.178 0 1 EKAF C1=Cc2cccc(c2)-c2ccccc2[C@H]2C[C@@H](C[C@@H]3CCCCN32)OC1 2356347783 MTRZJAQTFNGSJM-YZUZCNPQSA-N 345.486 5.455 0 1 EKAF CO[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H]21 2356699053 ADVRQUCBLYRORP-VGUOSERISA-N 332.484 5.187 0 1 EKAF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@H]2C(C)C 2356801298 RLXJCCXGMIMKOS-CBPXPLCBSA-N 348.527 5.595 0 1 EKAF CCCc1cc(Cl)c2c(c1O)[C@H](C)[C@@H](Cc1ccc(OC)cc1)O2 13453164 VSLLNGYXZIKKLY-SJKOYZFVSA-N 346.854 5.114 0 1 EKAF OC1=NC(=S)S/C1=C/c1cccc(Oc2ccc(Cl)cc2)c1 28703291 IYDYEBIGANNFTO-NTEUORMPSA-N 347.848 5.461 0 1 EKAF O=C1O/C(=C\c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc21 34821283 FWJSNKHNRBAYHA-RZNTYIFUSA-N 325.578 5.315 0 1 EKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)(C)C)no2)N3C)cc1 36271710 OEUNHOYSAHYKJP-DCXXXQMHSA-N 338.495 5.014 0 1 EKAF Cc1cc(-c2ccoc2)cn2c(CSCCc3ccccc3)cnc12 40938168 QIONDBKEOTXOPW-UHFFFAOYSA-N 348.471 5.379 0 1 EKAF C[C@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1 72118765 PMNFSAGLIMRJAD-HSZRJFAPSA-N 343.426 5.616 0 1 EKAF C[C@@H]1CC2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2=C(O)O1 101816726 GUCQPLYCDVLKKP-ZMZPIMSZSA-N 340.810 5.158 0 1 EKAF c1ccc(CCCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 261189594 YPYBLULGXVPCAF-CVDCTZTESA-N 344.502 5.643 0 1 EKAF Cc1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1C 587011139 HMCUJZJFXLYBQX-UHFFFAOYSA-N 333.460 5.202 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027780 JVOAAVXQRDQSEZ-UHFFFAOYSA-N 333.460 5.651 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)C)CC4)-c1ccccc1C2=O 587102145 YSLJLKKEKXKCFJ-CQSZACIVSA-N 327.427 5.440 0 1 EKAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(F)c4[nH]3)ccc2F)cc1 587139507 MRDOCJWSTJQSPH-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF Cc1cc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)ccc1F 587210005 ADZYQSSIHJWGBO-UHFFFAOYSA-N 339.413 6.115 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)c1coc2ccc(Cl)cc12 587276734 SPYHLASOMRRTIS-IAMHBRQHSA-N 348.870 5.746 0 1 EKAF COc1cccc(-c2c(C)c(CC(C)=O)nc3c2oc2ccccc23)c1 587366805 ZYALRRUOVDEGLB-UHFFFAOYSA-N 345.398 5.097 0 1 EKAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587511027 ZRJOAGWOGQRVFV-GOSISDBHSA-N 346.348 5.291 0 1 EKAF CCCCCC[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523457 IZKMWUIGQQEDSY-WZONZLPQSA-N 340.507 6.040 0 1 EKAF Clc1cnc(Cl)c2[nH]c(/C=C/c3cccc4ccccc34)nc12 587966275 AVOBMVQFMDFSRS-CMDGGOBGSA-N 340.213 5.588 0 1 EKAF CC1(C)CCCCC[C@](C)(CCCCCCCCCCCO)C1=O 5734486 AVVHASCLAPEHMY-QFIPXVFZSA-N 338.576 6.445 0 1 EKAF Fc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1 13740929 IRGZWLDYGVCLNT-UHFFFAOYSA-N 325.471 5.103 0 1 EKAF CC(C)=CCC/C(C)=C/CCCN1CC[C@@H]2[C@H](CC[C@H](O)C2(C)C)C1 26394954 XMQPDGYFCQPEGQ-SIVSNHIKSA-N 347.587 5.578 0 1 EKAF Cc1cc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)oc1C 28104129 WMRQTDPHTNDVHW-UHFFFAOYSA-N 338.407 5.117 0 1 EKAF Cc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(F)cc2c1C(=O)O 29331175 QDMPFSKFQBFHHB-UHFFFAOYSA-N 337.394 5.345 0 1 EKAF Cc1ccc(OCc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 64437211 BQQGQHHZXXLACX-UHFFFAOYSA-N 342.398 5.291 0 1 EKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 66101607 ZQUPMAQZJIGBHA-UHFFFAOYSA-N 343.405 5.303 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2cc3ccccc3s2)n1 72184333 QZTXOTDBHJYWOM-CQSZACIVSA-N 328.481 5.615 0 1 EKAF Cc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1C 587016166 QRKVYEJPOYFVBN-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF Cc1ccc2c(ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c32)n1 587114248 XYNBRRHCMVILMR-UHFFFAOYSA-N 327.309 5.105 0 1 EKAF CCC[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207168 JGIBWDYFYSAZFF-CQSZACIVSA-N 327.427 5.351 0 1 EKAF Cc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522513 IKJZJOJAVJHUGG-HSZRJFAPSA-N 334.459 5.231 0 1 EKAF Cc1nccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)csc12 587536621 XYHCLFMADKFAAH-IBGZPJMESA-N 349.455 5.190 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1Br 587627762 APMWLIKSDLWTGL-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF Cc1c(-c2ccc(Br)cc2Cl)[nH]c2cc(F)ccc12 587632039 BHXISOLDAAGZPM-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF c1ccc(-c2ccccc2Cc2nc3ccc4ncccc4c3[nH]2)cc1 587958714 HTNFIWQEXRNZBB-UHFFFAOYSA-N 335.410 5.369 0 1 EKAF Cc1cc(F)c2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc2c1 587960022 UWRXGCRHMNFHGE-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](NCC)CC[C@]4(C)[C@H]3CC[C@]12C 1772595723 QCNPUDFYJJCJJZ-NSWNNHPSSA-N 329.572 5.954 0 1 EKAF COc1ccc([C@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)cc1 61895981 ZBMOKFQCMHONKA-IBGZPJMESA-N 339.460 5.024 0 3 EKAF COc1ccc2c(-c3ccccc3)cc(OC)c3c2c1CC[C@@H]3OC 13480693 CQAMJYLFZKYWHD-IBGZPJMESA-N 334.415 5.158 0 1 EKAF Fc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)cc1Cl 13488901 RPVQAYHYKFTUNX-UHFFFAOYSA-N 345.870 6.101 0 1 EKAF Oc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccccc1 13822590 KSFWMLJYONRPPI-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF Cc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCCCC1 25968263 KRXPHOAJOARONV-NRFANRHFSA-N 339.504 5.409 0 1 EKAF COc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C=O)cc12 29486894 UPZGSGRYGZZTSO-UHFFFAOYSA-N 327.383 5.094 0 1 EKAF Cc1ccc(-c2ccc3nccc(Nc4ccc(O)cc4)c3c2)cc1 58520217 NPXHXMOCXQWUJM-UHFFFAOYSA-N 326.399 5.659 0 1 EKAF c1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84732074 QCTRGWPYCQGHQB-QHCPKHFHSA-N 335.406 5.768 0 1 EKAF Cc1nnc(-c2cccc(Oc3cc(C)c(Cl)c(C)c3)c2)s1 95581646 BFQWZNUXUIKQMB-UHFFFAOYSA-N 330.840 5.576 0 1 EKAF CN(CC1=CC2c3ccccc3C1c1ccccc12)C1CCCCC1 103228224 ZMQRZDISBFLJFX-UHFFFAOYSA-N 329.487 5.468 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)CCO 169354210 SWYZOYVKGHWNNX-MLFLMRJSSA-N 347.543 5.241 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C1(CCCC1)C4)-c1ccccc1C2=O 587100675 OELZRGBRLHSTEE-UHFFFAOYSA-N 325.411 5.123 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)s3)nc3cccc1c23 587207636 IDRCVSIGUVSSHK-UHFFFAOYSA-N 347.826 5.828 0 1 EKAF O=C1C[C@]2(CCC[C@@H](C(F)F)CC2)Oc2c1ccc1c2CCCC1 587505416 KSQSJDGDPOPWGV-JLTOFOAXSA-N 334.406 5.115 0 1 EKAF Cc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587522286 DNYWMTHJNIQBMC-QFIPXVFZSA-N 345.442 5.370 0 1 EKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c12 587625023 ZGRGDZPTIODGCW-UHFFFAOYSA-N 344.163 6.469 0 1 EKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccn2)cc1 587632770 PFJZJUUOSXDFAE-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF Fc1cccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)c1 587634507 IBFILTLJHLKJGM-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF Fc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949903 MRZPPUFNPFCEEP-JLHYYAGUSA-N 330.362 5.665 0 1 EKAF Clc1nccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950121 PNEDDIOOVKKIEK-KHPPLWFESA-N 347.805 5.574 0 1 EKAF Cc1cccc(Nc2ncc(-c3ccc(-c4ccccc4)cc3)o2)n1 621430816 QGAMSDRIGYGPJL-UHFFFAOYSA-N 327.387 5.456 0 1 EKAF CN(C/C=C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2 653823852 REKXAQASVSSWOC-GODDPXKCSA-N 331.503 5.657 0 1 EKAF CCc1ccc(-c2ccc([C@H]3NCCc4ccc(F)c(C)c43)cc2)cc1 962092169 MSCOYGDUAFSKBV-XMMPIXPASA-N 345.461 5.599 0 1 EKAF Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1-c1ccc(Cl)cc1 1772618778 YRSVCZMJKXUIRL-UHFFFAOYSA-N 347.849 5.666 0 1 EKAF CC(=CCC[C@@H](C)CC(=O)O)CCC=C(C)CCCc1ccoc1 2356515460 PPIHVFQOURPZJE-LJQANCHMSA-N 332.484 6.166 0 1 EKAF CCC(=O)[C@@H](C)CCCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356569178 KJCICXVOGJMFPE-MGPUTAFESA-N 349.540 5.338 0 1 EKAF CC(C)(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1 13555571 OVRUMJBIPFJMIO-UHFFFAOYSA-N 338.234 5.249 0 1 EKAF CCCC(=O)c1cnc2c(C(C)=O)cccc2c1Nc1ccccc1C 13742215 YQOXZFNQSQWFFG-UHFFFAOYSA-N 346.430 5.472 0 1 EKAF C[C@]12Cc3ccccc3C[C@H](c3ccccc31)N2Cc1ccccc1 28756453 HYFRRWDJFIKATH-RPWUZVMVSA-N 325.455 5.258 0 1 EKAF CCC1(CCCCC/C=C\CCCCCCCC(=O)O)OCCO1 64549237 SNYNQQPKEZCABD-XQRVVYSFSA-N 340.504 5.462 0 1 EKAF F[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl 72186292 KJQXERBHJYXZPI-SFHVURJKSA-N 332.205 5.650 0 1 EKAF CC(=O)c1cccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)c1 74373024 YCAHFDVNCXIROX-UHFFFAOYSA-N 345.377 5.315 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1 103255314 HWDGFXFLCBGAAK-QGZVFWFLSA-N 347.289 6.347 0 1 EKAF COc1cccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 167154510 CIZCTZYFHFSIDA-JLHYYAGUSA-N 326.399 5.409 0 1 EKAF CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2c(C)ccnc12 169338295 PNKQTJPXDDKRAD-LJQANCHMSA-N 348.918 5.132 0 1 EKAF C[C@H](CO)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O 263614190 CBZPGRKSSXCZLI-MKXGPGLRSA-N 328.537 5.509 0 1 EKAF in-vitro CCc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1CC 586878709 GVLWWDOLEOOQNS-UHFFFAOYSA-N 329.241 5.117 0 1 EKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 587073057 AMPODKJYNBIZRB-QGZVFWFLSA-N 346.261 5.207 0 1 EKAF Clc1[nH]c2ccccc2c1-c1nc2cccc(Br)c2[nH]1 587087996 QVULZOGMZHFCLL-UHFFFAOYSA-N 346.615 5.127 0 1 EKAF Cc1ccc2c3c(cc(Cc4ccccc4)nc13)-c1ccccc1C2=O 587099400 HGMXSYANZNCRQR-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF CC[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099967 BPEQTWSFRRIIBL-AWEZNQCLSA-N 327.427 5.270 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)c1F 587153183 WRQCNSMDTUFUMF-BDAKNGLRSA-N 339.172 5.419 0 1 EKAF Cc1cc(Br)cc2nc(-c3coc4cc(F)ccc34)[nH]c12 587175107 PPFLMZVKOLPKDJ-UHFFFAOYSA-N 345.171 5.186 0 1 EKAF CCCCC(CCCC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520933 BHURSLIJHZREIF-OAQYLSRUSA-N 328.496 5.896 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1 587642198 QQQSFQMAMRMFOP-CYBMUJFWSA-N 347.836 6.560 0 1 EKAF CCCc1[nH]c2ccc([C@H](C)CC)cc2c1NC(=O)OC(C)(C)C 587643540 VCJXNIYDEZZZSP-CYBMUJFWSA-N 330.472 5.981 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587930279 NVICNKMOIGWBIW-KSFYIVLOSA-N 334.463 5.314 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1 587959907 SAJONSOJUWOURR-UHFFFAOYSA-N 334.369 5.407 0 1 EKAF CC(C)Oc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962034 PUEKBLMEJBAICT-UHFFFAOYSA-N 342.442 5.608 0 1 EKAF C[C@H]1CCCN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1 653687434 GJHUCBNPJGLNRZ-SFHVURJKSA-N 348.490 5.337 0 1 EKAF COc1ccc2c(c1)C1(CCCCCCCCCC1)N(C(C)C)CC2 962093932 QRNISOQVWSHHTO-UHFFFAOYSA-N 343.555 6.072 0 1 EKAF CCCCC[C@@]1(C(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697782 IAIHRKUSZWPEKJ-DYESRHJHSA-N 349.559 5.621 0 1 EKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1Cl)C(C)(C)C 963004260 BNEFJTOBXLJPGF-LJQANCHMSA-N 333.928 5.454 0 1 EKAF CC(C)C/C=C1/C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857540718 YFYLHOXGZQJEGJ-CXUHLZMHSA-N 326.827 5.465 0 1 EKAF CCCC/C=C\CCCCCCCc1cc(O)cc(O)c1C(C)=O 1857600747 PVCOJNPKQYNQCB-SREVYHEPSA-N 332.484 5.930 0 1 EKAF C[C@]12CC[C@H](C3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356319607 RBCMLWGBXWRMNN-LMLIYYBPSA-N 344.583 6.196 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]2C1(C)C 2356589169 CGCMREBLRQFVLX-SJBKTWHCSA-N 328.496 5.382 0 1 EKAF C[C@@]1(Cc2ccc(Cl)cc2)C(=O)Nc2c(Cl)ccc(Cl)c21 61905072 JUHOLEXCDVGMCG-INIZCTEOSA-N 340.637 5.099 0 3 EKAF C[C@@H]1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2 3592491 ONJUREUCGKVEGP-CQSZACIVSA-N 339.460 5.001 0 1 EKAF COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1 13678083 GRYBFLUGFWQRKE-UHFFFAOYSA-N 325.496 5.293 0 1 EKAF Clc1ccc2sc(C3=CCN(Cc4ccccc4)CC3)nc2c1 26285220 ZDICBICTFYTIFR-UHFFFAOYSA-N 340.879 5.239 0 1 EKAF c1ccc(OCCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 27104980 NEAVYIKGAQRZEX-HTAPYJJXSA-N 346.474 5.089 0 1 EKAF CCCCCc1ccc(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1 28765496 SMTNMRSOIFRCHY-UHFFFAOYSA-N 346.854 5.801 0 1 EKAF CCCN1N=C2/C(=C/c3ccccc3)CSC[C@H]2[C@@H]1c1ccccc1 29311036 JUGKHVPNYBEOAS-XHJSXGDGSA-N 348.515 5.256 0 1 EKAF CCCCCOC(=O)NCCCC/C=C\CCCCCCC(=O)O 43121362 YUIHIDPCQZZCCU-ALCCZGGFSA-N 341.492 5.055 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)ncn2)cc1 82162251 SEOQVAIMYUIEOI-XWPNQZOQSA-N 349.522 5.750 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Nc3ccccc3)cc21 143328175 QKSXUQCWYMQCOU-IBGZPJMESA-N 341.332 5.209 0 1 EKAF c1ccc(-c2cc(-c3cccs3)c3c(n2)-c2ccccc2C3)nc1 299825180 WXRUQGIRPBFQBW-UHFFFAOYSA-N 326.424 5.443 0 1 EKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 586898649 RFPPSKPBOXJFFH-UHFFFAOYSA-N 338.769 5.395 0 1 EKAF Cc1cc(C)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587076800 OYZMDUXVMQVLHE-UHFFFAOYSA-N 349.821 5.268 0 1 EKAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C)cc(Cl)cc12 587624491 NSDRYAVRNQGVOZ-UHFFFAOYSA-N 334.202 5.237 0 1 EKAF O=C(O)c1cccc2c(C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c12 587637853 PQWBXVCFPKJEQK-UHFFFAOYSA-N 339.700 5.205 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 587641480 GBUFPSPBPJRHMU-LSDHHAIUSA-N 334.463 5.481 0 1 EKAF Oc1ccc(-c2nc(-c3ccc4oc5ccc(F)cc5c4c3)no2)cc1 1857595099 QEIKSZPZPPJENT-UHFFFAOYSA-N 346.317 5.148 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@@H]21 2356471139 PGTLDPKTOGVCIU-LXHROKJGSA-N 344.495 5.269 0 1 EKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@H](C)[C@@]1(C)CCc1ccoc1 2356586155 NUSPBUAVDKDEAT-LDQXTDLNSA-N 332.484 5.554 0 1 EKAF CCCCCC=CCC=CC[C@H](O)C=CC=CCCCC(=O)OC 2356666025 IJELSWIHFPVLQK-FQEVSTJZSA-N 334.500 5.276 0 1 EKAF CC[C@@H](OC(=O)c1ccccc1)C(C)(C)C=C[C@@H]1CC=C(C)C1(C)C 2356873271 YFVLNVDXVHNQCT-VQTJNVASSA-N 340.507 6.197 0 1 EKAF c1ccc(-c2onc(-c3ccco3)c2-c2ccc3[nH]ccc3c2)cc1 12474347 WEAFZWKWDHLXNM-UHFFFAOYSA-N 326.355 5.750 0 3 EKAF CSc1ccc(Cl)c(NC(=N)N(C)c2cc(C)cc(C)c2)c1 13442572 PAHUUNCKISDXKU-UHFFFAOYSA-N 333.888 5.162 0 1 EKAF Oc1ccc(C(=C2CCC(CCF)CC2)c2ccc(O)cc2)cc1 13685656 SOIOYRVVFMIEOL-UHFFFAOYSA-N 326.411 5.450 0 1 EKAF c1ccc2c(c1)Oc1ccccc1C2SCCN1CCCCC1 25970442 PXUALRKJTMHUPE-UHFFFAOYSA-N 325.477 5.101 0 1 EKAF CCCCOc1ccc(Nc2ccnc3ccc4c[nH]nc4c23)cc1 28770549 XZRGFVLLJTTXQT-UHFFFAOYSA-N 332.407 5.034 0 1 EKAF CCC/C=C\C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 49231615 NRDUSLDTXLXXNM-UTOQUPLUSA-N 329.528 6.793 0 1 EKAF Fc1cc(C(F)(F)F)ccc1-c1nc(/C=C/c2ccccc2)no1 72141229 IIVFHJKCTKBYNB-RMKNXTFCSA-N 334.272 5.065 0 1 EKAF Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccccc1 73195624 ZXNLHZGFHDHRCO-UHFFFAOYSA-N 336.782 5.147 0 1 EKAF CN(C)c1cccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)c1 74386838 RLQFIOBXDAVRED-UHFFFAOYSA-N 328.419 5.040 0 1 EKAF C[C@@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116276906 MYONEJYVJVQVAF-CQSZACIVSA-N 348.833 5.375 0 1 EKAF FC(F)(F)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 138701570 JPLLDEVDPDDRBX-UHFFFAOYSA-N 344.361 5.977 0 1 EKAF CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)cc(CCc5ccccc5)c4[C@H]1[C@@H]23 238730756 HEHNRIJVSOOMII-ASLXYRGWSA-N 348.486 5.478 0 1 EKAF COc1cc(/C=C\C(=O)O)cc(C/C=C(\C)CCC=C(C)C)c1OC 238778093 IXDDIYJCTLFLLS-QXZKCDOFSA-N 344.451 5.037 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963918 SDMBDWJYRQXAAY-SECBINFHSA-N 338.263 5.259 0 1 EKAF Cc1cnc(Cl)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 587054301 OBDRFZFDEVVXHE-WAYWQWQTSA-N 338.625 5.397 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H]1[C@@H](C4)C1(C)C)-c1ccccc1C2=O 587101340 SEWLGMZEWWGYBD-VQIMIIECSA-N 325.411 5.050 0 1 EKAF CCc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587205482 BAVHXTGLVADPLL-UHFFFAOYSA-N 349.433 5.984 0 1 EKAF CC[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522005 DZJJJXDMWMAUNO-HXOBKFHXSA-N 332.443 5.008 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 587642924 QGXOKUBSSVDFBP-CYBMUJFWSA-N 334.463 5.859 0 1 EKAF c1ccc(-c2ccc(OCCSc3nc4ccccc4[nH]3)cc2)cc1 1857644909 NWNSVQVRUFWPAU-UHFFFAOYSA-N 346.455 5.401 0 1 EKAF CC(C)=Cc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 5601601 FSRTVMCHXYGCQF-NDUFAUORSA-N 326.480 5.032 0 1 EKAF COc1cc2cc(-c3ccc(Cl)c(Cl)c3)cnc2cc1OC 13737702 PSUROKVLDMNXCQ-UHFFFAOYSA-N 334.202 5.226 0 1 EKAF in-vivo CCCCCCOc1ccc([C@H](CC(=O)O)c2ccccc2)cc1 14978823 UWMJXIBMHISJML-HXUWFJFHSA-N 326.436 5.252 0 1 EKAF O=C(OCC(F)(F)F)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957313 RLZDYYKLMOPCMU-UHFFFAOYSA-N 339.140 5.036 0 1 EKAF C[C@H]1CCC[C@H](C)N1CCC[C@](O)(c1ccccc1)C1CCCCC1 29558734 BQCAAQLKCYQZTH-JTAQYXEDSA-N 343.555 5.498 0 1 EKAF CN(C)CCCO[C@H](CCCCc1ccccc1)c1ccccc1 38192512 ARMFEKPMFQQBNM-JOCHJYFZSA-N 325.496 5.109 0 1 EKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2ccccc2F)cc1 45364908 GDLJXVIFSNBWKP-SFHVURJKSA-N 345.414 5.244 0 1 EKAF in-vivo OCCCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2Cl)cc1 58582013 XSRUFIHKQNWPAD-SFHVURJKSA-N 339.262 5.247 0 1 EKAF CCCCNc1ccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 64549936 IHDOHPDFXOSESA-RBUKOAKNSA-N 327.855 5.538 0 1 EKAF CC/C1=C\C=C[C@@H](CO)[C@]2(C)CCCC[C@]34CC(C)(C)C[C@@]3(C)C1=C24 169296440 FZODMLXLGWSYPA-ULVOOSRVSA-N 340.551 6.204 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587136578 SCDHWZDDCDYINW-UHFFFAOYSA-N 347.821 5.090 0 1 EKAF COc1cccc(-c2cc([C@@H]3CCCN3)nc3c2oc2ccccc23)c1 587364084 WVMQCCGYNUJSII-SFHVURJKSA-N 344.414 5.081 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)CC3)c1 587365266 GJMGJKYUHZLAJI-CQSZACIVSA-N 343.426 5.781 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3sccc3c1)CC2=O 587494030 HPDQKZQHPMFRRY-SFHVURJKSA-N 338.428 5.266 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([C@@H](C)CC)cc1 587871891 PCYGRYDJPXFVDM-HNNXBMFYSA-N 338.426 5.591 0 1 EKAF Cc1ccc(NCCc2nc(-c3cccc(Cl)c3)cs2)cc1 587920144 GIEXGZZXMFEJHE-UHFFFAOYSA-N 328.868 5.427 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(SC)cc4[nH]3)c2)cc1 587936088 RJWAYPZLSBXART-UHFFFAOYSA-N 346.455 5.627 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(-c2ccccc2)no1 963241661 NGAKYWINFFCARM-KSFYIVLOSA-N 332.447 5.088 0 1 EKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCCCCCC(=O)O 2356556730 MGUZOUCQDDHSGO-OAQYLSRUSA-N 346.511 5.744 0 1 EKAF CN1CCCC[C@H]1CCC1(c2ccc(F)cc2)SCCCS1 13554207 IXQWVQVCBBUMDB-KRWDZBQOSA-N 339.545 5.113 0 1 EKAF CCCCCc1cc2c(c(C(=O)O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45390691 ONTMVGJDPXZQKB-SJLPKXTDSA-N 342.479 5.728 0 1 EKAF O=C(O)c1sc(-c2ccccc2)cc1-c1conc1-c1ccccc1 58493990 UYHPKAKGVCSBRZ-UHFFFAOYSA-N 347.395 5.435 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CC(=O)O 95486087 ZPVMUDKNKQSFJZ-QWFCFKBJSA-N 328.537 5.651 0 1 EKAF biogenic,in-vitro CC(=O)O[C@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 95486253 QFTDFAVFSULANQ-FJWRRNOESA-N 336.516 5.120 0 1 EKAF biogenic,in-vitro CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(C(CC)CC)cc1)N2C 100771929 QRTMYRXFCOZLFS-BPBCIEFSSA-N 327.512 5.136 0 1 EKAF CC1(C)C[C@@H](N=O)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1 169724690 UYHDYCSRGQHTHC-CQSZACIVSA-N 341.361 5.515 0 1 EKAF COc1ccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)cc1OC 299829937 TWIUOKJXDVSQGB-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF Cc1ccc(CSCCc2nc3ccc(OC(C)C)cc3[nH]2)cc1 586970487 FPZJWYWIKQXSLN-UHFFFAOYSA-N 340.492 5.134 0 1 EKAF CC/C=C\Cc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367803 WQKDUBUSHAYEIA-PLNGDYQASA-N 343.426 6.165 0 1 EKAF CC/C=C\CCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587486997 YEMNFQRHQHYEQE-OGZRUICASA-N 330.468 5.595 0 1 EKAF Fc1cccc(NCc2ccc(CNc3cccc(F)c3)s2)c1 1857593801 RXMAOQKDOJBXQK-UHFFFAOYSA-N 330.403 5.251 0 1 EKAF CCCCCc1oc(C=CCCCCCCC(=O)OC)c(C)c1C 2356460135 KHRZULHEQLVQNI-UHFFFAOYSA-N 334.500 6.156 0 1 EKAF CC(=CCCc1ccoc1)CC=C[C@@](C)(O)C=CCc1ccoc1 2356788260 BZKOEJGYNFANKM-OAQYLSRUSA-N 326.436 5.248 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@H]1CC[C@H]3C1 101850546 XHVZNHAQYIIVPB-IRXDYDNUSA-N 329.487 6.508 0 3 EKAF Cc1c2c(c3c4c1[C@H]([C@@H]1OC1(C)C)C[C@H](C)[C@@H]4CC[C@@H]3C)OCO2 15268568 GJWZMUIVNKZCME-ONNHPLIPSA-N 328.452 5.005 0 1 EKAF biogenic c1ccc(-n2c3ccccc3c3c(NC4CCCCC4)ncnc32)cc1 26672870 TWLVBJQUFAIBDO-UHFFFAOYSA-N 342.446 5.318 0 1 EKAF CC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638922 BCTXZWCPBLWCRV-OJHPZFCVSA-N 344.495 5.760 0 1 EKAF endogenous,in-man CCCCCn1c(C)c(C(=O)Cc2ccc(C)cc2)c2ccccc21 28462272 RDYZLFKKWNGIJS-UHFFFAOYSA-N 333.475 5.874 0 1 EKAF in-vivo COc1ccc2cc(-c3ccc(F)cc3)ccc2c1-c1cccnc1 28979129 XPPJOWASCORDDG-UHFFFAOYSA-N 329.374 5.717 0 1 EKAF Cc1cc(C)c(-c2csc(N(C)C(=O)c3ccccc3)n2)c(C)c1 40891780 VUDGATOUTNDVBJ-UHFFFAOYSA-N 336.460 5.012 0 1 EKAF C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl 45355469 DORFEDMRVQLEQT-SNVBAGLBSA-N 336.193 5.821 0 1 EKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(C(F)(F)F)cc1 49784362 UICIGRMYBVRNIT-UHOFOFEASA-N 343.389 5.255 0 1 EKAF COC(=O)[C@H]1N=C1/C=C/CCCCCCCCCC=C(Cl)Cl 53099321 KGVPWBZKSMLXBN-TYZQSYOASA-N 346.298 5.369 0 1 EKAF COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2C1 72134117 NINITLSHUAPIHQ-LSDHHAIUSA-N 332.447 5.320 0 1 EKAF COC(=O)c1[nH]c2ccc(C)cc2c1Sc1ccc(Cl)cc1 95585741 CKDRAUBGBMFVCW-UHFFFAOYSA-N 331.824 5.068 0 1 EKAF COc1ccc(N(C)c2nnc(-c3ccccc3)c3ccccc23)cc1 95594408 GTNCMTSQANIIOM-UHFFFAOYSA-N 341.414 5.073 0 1 EKAF c1ccc(-c2cc([C@H]3[C@@H]4CC[C@@H](C[C@H]3c3ccccc3)S4)on2)cc1 101388796 GGNBFDVFZAGDEV-GPHNJDIKSA-N 347.483 5.877 0 1 EKAF O=C(Nc1cc2ccc(Oc3ccccc3Cl)cc2cn1)C1CC1 169699982 LULIBUGQDSMGDX-UHFFFAOYSA-N 338.794 5.029 0 1 EKAF O=C(O)c1cc(Cl)cc2c1N=C(c1ccc(-c3ccccc3)cc1)C2 261144452 NOYYEFPQHYBYKE-UHFFFAOYSA-N 347.801 5.382 0 1 EKAF C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)[C@H]1CCCC[C@H]1C 299816892 XVWDFPZSRGALNR-QXGSTGNESA-N 344.499 5.152 0 1 EKAF Cc1cc(C)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587033490 WEWJNYYEQQPVLQ-UHFFFAOYSA-N 333.460 5.188 0 1 EKAF Clc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587051025 RJBRDHPYHCKTBQ-YUMQZZPRSA-N 338.625 5.189 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccsc3)s1)O2 587411352 SXDFTCUFVSLSHX-HNNXBMFYSA-N 341.457 5.074 0 1 EKAF S=C(Nc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 1857650554 MCIROTNPSTUXPW-UHFFFAOYSA-N 345.427 5.304 0 1 EKAF CCC=CCC=CC[C@H](C=CC=CCCCCC(=O)OC)OC(C)=O 2356627242 BKAYLLLWYFZLCL-HXUWFJFHSA-N 348.483 5.067 0 1 EKAF CC(C)=CC[C@@]1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O 5498673 IJGLPJRKFZJNCY-QHCPKHFHSA-N 343.426 5.304 0 1 EKAF CC(C)=CCC[C@@H](C)c1c(O)c(O)c(C)c2nc3ccccc3nc12 5930290 DLURXLKBFFIUFB-CYBMUJFWSA-N 336.435 5.353 0 1 EKAF biogenic COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2O 13302646 HCQUMJYLWCSLLR-QYWGDWMGSA-N 332.484 5.045 0 1 EKAF biogenic,in-vitro C1=C(c2ccccc2)CCN(C[C@@H]2CCCC=C2c2ccccc2)C1 13738832 VCJROJRYERJGMQ-QHCPKHFHSA-N 329.487 5.659 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C 13808805 FOQPVSQLQDGLCS-IAGOWNOFSA-N 332.459 5.685 0 1 EKAF c1ccc(OCCCCCCCCCCCOc2ccccc2)cc1 14825618 ZPWUBAJYGXZRQA-UHFFFAOYSA-N 340.507 6.655 0 1 EKAF endogenous,in-man CCOC(=O)/C(=C\Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 28714139 ZANZAWYVXZVXOC-WJDWOHSUSA-N 336.218 5.010 0 1 EKAF Clc1ccc([C@H]2ON=C(c3ccccc3Cl)O2)cc1Cl 40422878 YLRYBDHXIZAWTF-CQSZACIVSA-N 328.582 5.054 0 1 EKAF O=C1c2ccccc2C[C@@]1(Cc1ccccc1)C1=CCc2ccccc21 45298504 WSTFCNDKEWPDDB-VWLOTQADSA-N 336.434 5.294 0 1 EKAF C[C@@](/C=C/c1ccccc1)(Cc1ccccc1)[C@H](O)c1ccccc1 71335219 ANHMNCZTYNYUJX-BEZSILKHSA-N 328.455 5.682 0 1 EKAF CC(C)(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 72102117 FWPNMMUROZJSDS-UHFFFAOYSA-N 342.826 5.523 0 1 EKAF Oc1cccc(/C=C/c2cc(O)cc(/C=C/c3cccc(O)c3)c2)c1 84712182 DDDBDMLFTAYBCR-FIFLTTCUSA-N 330.383 5.144 0 1 EKAF CC[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100705350 YFAGAQVOGNYMSL-CYBMUJFWSA-N 349.459 5.122 0 1 EKAF C/C(=C\C[C@@H](O)[C@H](C)CCCc1ccoc1)CCCc1ccoc1 140169920 JSDMCZGFWDFWNE-DGDAIUQFSA-N 330.468 5.552 0 1 EKAF CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](c2ccccc2)C1 223283008 YMPJBKLLEMBQMA-SIKLNZKXSA-N 348.490 5.137 0 1 EKAF CC(C)(C)/C=C1\C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299869986 GJYCOULXILNZBK-ZTVZQFQASA-N 340.507 5.192 0 1 EKAF in-vivo Cc1ccc(CSCCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 586971643 WOIWJTUYMKGMQE-UHFFFAOYSA-N 347.487 5.204 0 1 EKAF CC[C@H]1C[C@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992785 ZOQBRJPRQYGNIW-STQMWFEESA-N 343.426 5.228 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587086094 RSWFBMRHNUADQR-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF Cc1ccccc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099602 OJJDDVJZJIRYST-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF CC(C)=CCOc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587214822 VGRXKGGLTOSKAG-UHFFFAOYSA-N 343.470 5.464 0 1 EKAF CNc1cccc(-c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)c1 587235665 PTBAIIXYJAAAIW-UHFFFAOYSA-N 331.394 5.386 0 1 EKAF O=C1C[C@@](CC2CC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587524515 NYCRYOYHHOPKGU-QHCPKHFHSA-N 332.443 5.226 0 1 EKAF CC(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525999 XHFRYANKDXNBKE-NRFANRHFSA-N 336.431 5.059 0 1 EKAF C[C@]1(c2ccccc2)CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527857 XBBMKTKHTKYGMX-BJKOFHAPSA-N 346.470 5.411 0 1 EKAF C[C@@]1(c2cccc3ccsc23)CC(=O)c2ccc3c(c2O1)CCCC3 587535630 NAABSMWWHCBZAG-QFIPXVFZSA-N 348.467 5.661 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587642805 QJDXSDGFQJPXKE-ZDUSSCGKSA-N 339.410 5.664 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(C)(C)C)N1 587812178 ISSNOHHJOHEEHJ-GTNSWQLSSA-N 342.296 5.164 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)c1 587932108 MTOXDAGHWKEDAS-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CCCCCn1c(=O)sc2ccc(C(=O)C3CCCCC3)cc21 1857590035 HIBIMSXDKFKMAL-UHFFFAOYSA-N 331.481 5.016 0 1 EKAF Clc1ccc(-c2cn3c(-c4ccccc4)cnc3cn2)c(Cl)c1 1857600367 ICBUWDKYXONKHA-UHFFFAOYSA-N 340.213 5.370 0 1 EKAF CCCCC=CCCCCCCCCCc1cccc(O)c1C(=O)O 2356430868 UEOBFNCQTNUCCY-UHFFFAOYSA-N 346.511 6.500 0 1 EKAF Clc1ccc(-c2c[nH]c(-c3cnc4ccccc4c3)n2)cc1Cl 13553760 BEGDZSOACPTIDW-UHFFFAOYSA-N 340.213 5.599 0 1 EKAF CON(C)CCCCCCCCCCCCC[C@@H](C)c1cccnc1 14885503 JIBZJUAZQCMROO-OAQYLSRUSA-N 348.575 6.360 0 1 EKAF biogenic CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](C)CCCCCC2 27517956 URKLLKTVBBRRMX-DOTOQJQBSA-N 340.463 5.497 0 1 EKAF CCCCSC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 29394705 TWKDFLVEFVJYBM-RTWAWAEBSA-N 344.520 5.909 0 1 EKAF Clc1ccc(Sc2ccnc(-c3ccccn3)c2)cc1Cl 38156555 UELNGFMXPALPOW-UHFFFAOYSA-N 333.243 5.602 0 1 EKAF CCSc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1 40919052 YDZIRFOTAHFWMI-UHFFFAOYSA-N 345.468 5.112 0 1 EKAF CCc1ccc2c(c1)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2 45291377 OTYWGYSRWUTWFV-UHFFFAOYSA-N 337.854 5.117 0 1 EKAF c1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84732072 QCTRGWPYCQGHQB-HSZRJFAPSA-N 335.406 5.768 0 1 EKAF Clc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1 95583917 JKTMEYXRCJFWAI-UHFFFAOYSA-N 326.831 5.023 0 1 EKAF in-vitro C/C(=C/CC[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)COC(=O)Cc1ccccc1 100781944 ISBNMFLPVWHCIH-NIJZBJRGSA-N 338.491 5.181 0 1 EKAF endogenous,in-man C=C/C=C/C/C=C/C/C=C/CC/C=C(\Cl)O/C=C/CCC(=O)O 238752814 XZIJBWJIVVWFHL-NAZLLVOISA-N 336.859 5.877 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)CC1 586881916 XJFIORLRDLPFNE-WGSAOQKQSA-N 346.518 7.002 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896880 TXQCGRJZHZGMSR-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF CCc1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1Br 586977346 LWBJOCFHQPUVGV-UHFFFAOYSA-N 349.659 5.517 0 1 EKAF Fc1cc(F)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587047975 DDIAZSNEZCXRJX-RKDXNWHRSA-N 339.172 5.419 0 1 EKAF Cc1ccc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)cc1F 587146363 JMMAHRIMMGQTID-WAYWQWQTSA-N 345.215 5.252 0 1 EKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632636 NEUTVVZKIVKZTJ-UHFFFAOYSA-N 332.216 5.689 0 1 EKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)cc1 587634787 RCIFIOGXEKQUDB-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(C)C)c(Cc3ccc(Cl)cc3)c2c1 587640666 HZPTZPRWQZDYCO-OAHLLOKOSA-N 339.910 7.049 0 1 EKAF CC(C)(C)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 587959218 MVSOPBAQUKVGLL-UHFFFAOYSA-N 341.458 5.513 0 1 EKAF Cc1cc2c(cc1F)[C@]1(CCC[C@H](c3c(C)cccc3C)C1)NCC2 962091118 JGRCCNMAFYISHK-WMZHIEFXSA-N 337.482 5.450 0 1 EKAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356486560 WYIQMFYYLDLRBC-MVCAKEEGSA-N 334.544 5.654 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)CC[C@H]12 2356619159 VIHYBRGBRJAHDB-RQGSJKACSA-N 332.528 6.073 0 1 EKAF COC(=O)[C@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)cc12 13302409 OTVSVVDNOOVYKN-KNQAVFIVSA-N 344.495 5.002 0 1 EKAF biogenic CCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13478181 ADXMNDLGCLUVBL-QZTJIDSGSA-N 342.523 6.471 0 1 EKAF CC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27638911 BCTXZWCPBLWCRV-MITSVBBBSA-N 344.495 5.760 0 1 EKAF endogenous,in-man CCCN(c1ccnc2cc(Cl)ccc12)n1ccc2ccccc21 27639284 CNMILBJXRPMDFH-UHFFFAOYSA-N 335.838 5.523 0 1 EKAF Cc1cc(=O)c(-c2ccc(Oc3cccc(Cl)c3)cc2)c(C)[nH]1 45318797 VDKJCBSPIYCGRX-UHFFFAOYSA-N 325.795 5.104 0 1 EKAF CCC[C@@H](C(=O)O)c1cnc2ccc(Cl)cc2c1-c1ccccc1 96934441 GGNJLKYPASIKJN-OAHLLOKOSA-N 339.822 5.524 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(F)c2[nH]1 587014656 OGDPHQBNJSGLHW-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF Cc1cc2c(cn1)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587095900 CPLLXDDMZCKGMU-UHFFFAOYSA-N 348.405 5.029 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3ccc(Cl)cc3[nH]2)cc1F 587145861 SXYSNTJSJFRWIA-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF COc1cccc(-c2cc(CCC(C)=O)nc3c2oc2ccccc23)c1 587365348 JUPFKOQOCPCGFJ-UHFFFAOYSA-N 345.398 5.178 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)s1)O2 587408725 DDNKAMLSGPIIMT-KRWDZBQOSA-N 335.428 5.012 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C)ccc3o1)CC2=O 587484399 TYVNCMLLUJWPFJ-FQEVSTJZSA-N 336.387 5.106 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCC(=O)O)c2c1 587640456 DODZYRSIGWNORR-CYBMUJFWSA-N 339.410 5.505 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(Cl)cc3)c2c1 587642174 QBWCZCUPDYRXPN-GFCCVEGCSA-N 325.839 5.874 0 1 EKAF Fc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c(F)c1F 587958418 BBYHXCXNZUQAFG-UHFFFAOYSA-N 338.332 5.238 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2[nH]c3ccccc3c2Cl)N1 962943353 GQHQPBPFIISCLQ-QKVFXAPYSA-N 349.865 5.316 0 1 EKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cc(C3CCCCC3)cs1)C2(C)C 1857749735 HKUKVBNEMUNGJO-SIKIZQCASA-N 331.569 5.956 0 1 EKAF COC(=O)C1=CCC=C(C)CCC=C(C)CC[C@@H](C(C)C)C(=O)C1 2356795547 MEXVGRUJOIKXSN-IBGZPJMESA-N 332.484 5.174 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CS1 13835182 KEUSUQKYRBAZTR-YHVBFONYSA-N 332.553 5.042 0 1 EKAF CO[C@@H]1C=C(C)[C@]2(C)CC[C@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@@H]2C1 14446878 CGVBOYIYAFIARZ-UNJZARNNSA-N 336.516 5.301 0 1 EKAF biogenic c1cc(NCCCCCCCCCCCNc2ccncc2)ccn1 14947251 YRDNITGPGLEUGR-UHFFFAOYSA-N 340.515 5.512 0 1 EKAF C1CCC(NCCCCC(C2CCCCC2)C2CCCCC2)CC1 27843547 PXFYZVSLOXYGFW-UHFFFAOYSA-N 333.604 6.856 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40689004 SOAIWELMVRCOAD-HCMRSQABSA-N 346.511 5.252 0 1 EKAF CCCCCCNC(=O)CCCC/C=C\CCCCCCC(=O)O 42920515 RDDSCWVCGRBWBZ-ALCCZGGFSA-N 339.520 5.225 0 1 EKAF in-vivo Cc1cccc(Cn2ccnc2C(c2ccccc2)c2ccccc2)c1 43199970 YSVFTYOKUZRKOL-UHFFFAOYSA-N 338.454 5.420 0 1 EKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1cccc(Cl)c1)C2 100834495 FMPUWHUXNOPVQS-SFHLNBCPSA-N 341.882 5.071 0 1 EKAF CC(C)=CC[C@@H]1C[C@H](CC=C(C)C)C(C)(C)[C@H](C(=O)C(C)C)C1=O 209656775 RSIDASPVNMMKMN-CEXWTWQISA-N 332.528 5.772 0 1 EKAF O=C(c1c[nH]c2ccccc12)[C@H](Nc1cccc(F)c1)c1ccccc1 218297972 KAFGIXULMIHUCU-OAQYLSRUSA-N 344.389 5.343 0 1 EKAF C[C@H]1CC(C)(C)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586990670 NHFUZPAYHMWBBW-LBPRGKRZSA-N 343.426 5.228 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2n1 587053483 DKXYGDHSGOQUEE-JXMROGBWSA-N 346.261 5.733 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587171736 RWEZMCLPTYHVQE-CYBMUJFWSA-N 342.483 5.895 0 1 EKAF Cc1cc(C)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196238 PDWVPOXJVAVQDH-UHFFFAOYSA-N 341.458 5.387 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C1CC1)CCC3 587207091 HTEKUCLDEGDYHF-AWEZNQCLSA-N 325.411 5.276 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C1CCCC1)C3 587207968 PBTMWCFEGSFLLQ-OAHLLOKOSA-N 339.438 5.351 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(C)C)c1 587366808 NBZCDWDNLASIMT-KRWDZBQOSA-N 343.426 5.952 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCCC2)N1 587820052 OIEKEYSDUBHUFI-XHDPSFHLSA-N 340.280 5.134 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1C 587920442 KZWLCQRFNURBGN-UHFFFAOYSA-N 335.472 5.883 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3c(Cl)ccnc3[nH]2)cc1 587960304 YVRBLKVRBMJCGB-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF O=C(NCc1ccco1)O[C@H]1CCC12CCC(c1ccccc1)CC2 205706843 ROQUAZOCRBABHI-BIXGBWIQSA-N 339.435 5.012 0 3 EKAF Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl 13588856 JUBWVDBPOGPBSD-UHFFFAOYSA-N 334.202 5.003 0 1 EKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830356 BUIPSHQTUUBPIM-YADHBBJMSA-N 344.454 5.968 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\SCCCC(=O)OC 13888721 BJKGFAXUOWQOOJ-XMJAAHAFSA-N 336.541 6.216 0 1 EKAF C[C@@H](CCN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 28642408 NGVZNUKOMGCFRY-FQEVSTJZSA-N 329.487 5.979 0 1 EKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12 71341186 HYPVVYCUIRGGJB-UHFFFAOYSA-N 347.201 5.496 0 1 EKAF CC(C)c1ccc(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)cc1 82160332 IJXFDFRPXOXYHN-QGZVFWFLSA-N 331.463 5.483 0 1 EKAF COc1cccc([C@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)c1 100796348 MTGSKLQPUFXFOL-LBPRGKRZSA-N 341.407 5.360 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3)cc21 144708083 UHEOLUJRLMVRPP-IBGZPJMESA-N 326.317 5.132 0 1 EKAF CC/C=C/C/C=C/C/C=C\C/C=C/CC/C=C/CCCC(=O)OC 238762195 RRPJCVGNLPATGI-APSINZBXSA-N 330.512 6.471 0 1 EKAF CC(C)c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896215 KQUXMONIOHUKND-UHFFFAOYSA-N 347.821 5.370 0 1 EKAF COc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Cl 587074569 ZKERMNQYZDKLOP-UHFFFAOYSA-N 347.245 5.153 0 1 EKAF Cc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587161769 QUERXDOGZWMNSY-STQMWFEESA-N 345.215 5.044 0 1 EKAF COc1ccc(NC(C)(C)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587201799 VIXSPYJTHBZNGU-UHFFFAOYSA-N 337.467 5.216 0 1 EKAF CC/C=C\CCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587207886 OHDGYQAYGNITFH-ARJAWSKDSA-N 327.427 5.735 0 1 EKAF C=Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208076 YIYPCMYSAMWDAA-UHFFFAOYSA-N 333.390 5.756 0 1 EKAF CC/C=C\CCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446240 VJXMIPUTRWJESJ-VMLVWOMUSA-N 328.452 5.118 0 1 EKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1 587527919 VKEFFQNPAUTUMW-QFIPXVFZSA-N 343.426 5.129 0 1 EKAF O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629642 VJGMAUXRMWJGIO-UHFFFAOYSA-N 341.691 5.268 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1 587967717 LXPICCIZTATXQW-XFXZXTDPSA-N 340.414 6.325 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c[nH]c2cc(Cl)ccc12 963240730 LJYOVHWUBCDXKT-QKKBWIMNSA-N 338.882 5.567 0 1 EKAF Fc1ccc(-c2noc3nc(Oc4c(F)cccc4F)ccc23)cc1 205223499 IYVWXUOZTDMIMK-UHFFFAOYSA-N 342.276 5.099 0 3 EKAF COc1cc(C)c(/C=C/C(C)=C/C=C(F)/C(C)=C/C(=O)O)c(C)c1C 28261513 HATBAOQJSHGVJS-ZSJDFQLXSA-N 344.426 5.464 0 1 EKAF Fc1ccc2c([C@@H]3Nc4ccc(Cl)cc4[C@H]4OCC[C@H]43)c[nH]c2c1 28760974 VDFDUOXSAPLVNO-BKTGTZMESA-N 342.801 5.205 0 1 EKAF Cc1ccc(-c2ssc(=S)c2-c2ccc(Cl)cc2)cc1 42890530 FTTDILLURMJUFE-UHFFFAOYSA-N 334.918 6.835 0 1 EKAF C[C@@H](CC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1 58599224 FLABEIHNLMJFOH-NTUVXCKYSA-N 340.470 5.665 0 1 EKAF CCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)C(=O)CC 59903138 FHERSMHWJQVOBK-ZWKOTPCHSA-N 342.520 5.118 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2cccc(O)c2)cc1 95563388 INMRANPMJKWGJW-GMAHTHKFSA-N 347.502 5.483 0 1 EKAF CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1 139456805 IMEKNFSOCZJKQI-ISKFKSNPSA-N 327.471 5.362 0 1 EKAF CN1CCc2cc(F)ccc2[C@@H]1c1sc2ccccc2c1Cl 144711656 QQEUIEJADLARJX-QGZVFWFLSA-N 331.843 5.271 0 1 EKAF C=C/C(C)=C/C=C/[C@@](C)(C[C@H](C=C(C)C)OC(=O)/C(C)=C\C)OC 238746994 HMWSUTVUCYCWMI-CXTOEEJWSA-N 332.484 5.314 0 1 EKAF CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C[C@@H](/C=C/c3ccccc3)OC(=O)[C@H]21 238786801 WTHYBEDBWJWEEI-QURSGIFKSA-N 336.475 5.116 0 1 EKAF CCCCC1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 323977938 XTWSJZRJLIVFAZ-UHFFFAOYSA-N 328.456 5.188 0 1 EKAF CCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587031758 AOARNOOXNZCLAW-UHFFFAOYSA-N 333.460 5.133 0 1 EKAF Cc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587207348 RDQQQIBPHQAILF-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF CCC(=O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365229 IRODWJJRNDSOCT-UHFFFAOYSA-N 345.398 5.558 0 1 EKAF O=C1C[C@H](c2ccn(C3CCCC3)c2)Oc2c1ccc1c2CCCC1 587516967 YKQJHRKKBOZCGS-OAQYLSRUSA-N 335.447 5.189 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cc1 587624219 GGHOSZKPXPTSAH-UHFFFAOYSA-N 333.765 5.553 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(CC(=O)C(F)(F)F)c(C(C)C)c2c1 587642144 PHSHRNFMXYDYQB-NSHDSACASA-N 325.374 5.479 0 1 EKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C=C2CCCCC2)N1 587817376 BLMVEJTZKHODTD-NHYWBVRUSA-N 338.264 5.054 0 1 EKAF Clc1cccc(-c2csc(Cc3nc4ccccc4s3)n2)c1 587921656 OHIYMCQWBDCVCE-UHFFFAOYSA-N 342.876 5.664 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587929869 AMJYNYBVVYOFNF-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC(C)=CCO)C(C)=CC[C@H]2C1(C)C 2356467166 FVVNLEXAZHEDCJ-ITTUMRLJSA-N 348.527 5.046 0 1 EKAF C[C@@]1(Cc2ccc(Cl)s2)C(=O)Nc2c(Cl)ccc(Cl)c21 61895878 WTEUUYGJZKXNQG-AWEZNQCLSA-N 346.666 5.161 0 3 EKAF Cc1cc(C)c(Nc2ccnc(Nc3c(C)cc(C)cc3C)n2)c(C)c1 5930572 LWEMNZHOCOFTEQ-UHFFFAOYSA-N 346.478 5.814 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(C)C 13797906 JCJKYNUFZROTEZ-GKFVBPDJSA-N 346.599 7.805 0 1 EKAF CC(C)CC(C(=O)O)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 15119173 WVXVAVCGGZLUNU-UHFFFAOYSA-N 346.430 5.066 0 1 EKAF biogenic Oc1ccc(C(=C(C(F)(F)F)C(F)(F)F)c2ccccc2)cc1 25964737 SGDKKXBZRDIBGC-UHFFFAOYSA-N 332.243 5.319 0 1 EKAF CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27718286 SRVSGIFIEMIEKA-UHFFFAOYSA-N 342.417 6.112 0 1 EKAF Cc1cc(C)cc(-c2ccc(C(C)(C)CCCCCO)cc2O)c1 28822104 KBUXHQXGHLRKGG-UHFFFAOYSA-N 326.480 5.506 0 1 EKAF CCOc1ccccc1-c1nc(CNc2ccc(C(C)C)cc2)co1 72101881 DRNGEYPJWANMMT-UHFFFAOYSA-N 336.435 5.476 0 1 EKAF CC[C@H]1O[C@H]1CCCCCCCCCCCCCCCC(=O)O 72110054 WNFVVRZXZJGWHQ-MOPGFXCFSA-N 326.521 6.100 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1ccccc1Cl)C2 100834377 TWLKFPACEDMNGQ-OEMYIYORSA-N 341.882 5.071 0 1 EKAF COC(=O)C(F)(F)SC/C=C(\C)CC/C=C(\C)CCC=C(C)C 149198073 WMOCMAMVRUKOMI-NCZFFCEISA-N 346.483 5.905 0 1 EKAF CCCN(CCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc12 169329534 JRAIEHXIPKGSIU-QHCPKHFHSA-N 348.490 5.057 0 1 EKAF CCc1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 586881398 VTHLYLYBAYSOMO-UHFFFAOYSA-N 340.426 5.662 0 1 EKAF Clc1cccc(-c2nc(-c3nc4cnccc4[nH]3)cs2)c1Cl 587015933 ZCUQFMNPDGCSEC-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1c(F)ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050579 PVQXORPVAMSYBK-VHSXEESVSA-N 335.209 5.588 0 1 EKAF Cc1ccc(Cc2nc3ccc(Cl)c(C)c3[nH]2)cc1C(F)(F)F 587094556 BQYMGSGMPFVHLR-UHFFFAOYSA-N 338.760 5.443 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Cl)c(Cl)cc2[nH]1 587156005 QFXKXFMELDALTB-CQSZACIVSA-N 339.197 5.539 0 1 EKAF O=C(c1cc(F)cc(C(F)(F)F)c1)c1coc2ccc(Cl)cc12 587277757 AFRMKZQBFDUYMW-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc(C)c1F)CC2=O 587467879 UDWKBOBQFSRPFR-INIZCTEOSA-N 348.801 5.152 0 1 EKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 587922305 OBXSGVLTWCIXQY-KRWDZBQOSA-N 341.407 5.257 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)cc1 587935567 NXHPEPVRTNNUDA-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF Oc1cccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)cc3)n2)c1 653744994 MLFSPGWQPXXGHG-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CCSc1ccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963101411 RLCHYYBTIXXDMR-LAUBAEHRSA-N 341.495 5.222 0 1 EKAF Cc1ccc(SC[C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963114512 VMDDMFKEYSMFOD-WIYYLYMNSA-N 341.495 5.162 0 1 EKAF CCC[C@@]1(c2ccc(C)s2)c2ccc(F)cc2C[C@@H]2CCCN21 963115771 VZWUUJBDNOQADH-PXNSSMCTSA-N 329.484 5.260 0 1 EKAF CCC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C 2356331255 IMFNBOMNWHWKQD-NLCHCKGPSA-N 346.555 5.375 0 1 EKAF CCCCCc1cc(O)c([C@@H](O)C[C@H](C)CCC=C(C)C)c(O)c1 2356551404 FBGKSDGGQKSQAK-AEFFLSMTSA-N 334.500 5.637 0 1 EKAF COC(=O)[C@@H]1CC[C@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 2356676193 OLSXWVKJHIFZKA-MMKMLUHNSA-N 330.468 5.164 0 1 EKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3cc(OC)ccc32)cc1 13829704 YXJPSGXLAJUYFS-YADHBBJMSA-N 346.426 5.360 0 1 EKAF Cc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1 14979818 UFIXUGYHLZCFPI-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF O=C(O)CCCCCCc1cc(-c2ccccc2)c2ccccc2n1 27431788 VICORJDIMGHZSY-UHFFFAOYSA-N 333.431 5.479 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/[C@@H]1CC[C@@H](O)O1 28341438 IMGRHWYIBGFQEG-PWRKCGISSA-N 342.523 6.182 0 1 EKAF CCCCCCN1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1 39650317 IXWSQWDWBZOAFH-RPWUZVMVSA-N 348.534 5.071 0 1 EKAF COCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(C)C)cccc21 58592278 ATQVFYJQUOHYPA-UHFFFAOYSA-N 336.479 5.597 0 1 EKAF CC(C)(N)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 95581990 HZNBKLLDRNOMSI-UHFFFAOYSA-N 330.642 5.633 0 1 EKAF O=C(O)c1cc(C2CC2)ccc1Nc1cncc(-c2ccccc2)c1 113898618 NNTOFPYWDOJPGX-UHFFFAOYSA-N 330.387 5.068 0 1 EKAF C[C@]12CC[C@@H]3c4cc(-c5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 163517588 QSHNNSANXALMEM-QNJCZANYSA-N 346.470 5.484 0 1 EKAF CC(C)/C=C\C[C@@H](C)CCC[C@H](C)/C=C\CC/C=C\CCCC(=O)O 169636540 CNLCUGBJDBKIAL-PXPKBTMZSA-N 348.571 7.179 0 1 EKAF CCc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1Br 586976468 FKTRYBISNVKKGW-UHFFFAOYSA-N 333.204 5.002 0 1 EKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587196564 VXZXHRVVSAUTHF-JTQLQIEISA-N 334.250 5.088 0 1 EKAF CC[C@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364489 BROCGDQOQFNJBV-AWEZNQCLSA-N 331.415 6.170 0 1 EKAF CC[C@]1([C@H](C)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524642 PKYXJJOLXQQRDP-WAIKUNEKSA-N 334.459 5.483 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2c(C)cc(Cl)cc12 587624354 HITATCGEERWWDZ-UHFFFAOYSA-N 349.836 6.911 0 1 EKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587630212 VSBMDLBQONSTMR-UHFFFAOYSA-N 345.698 6.094 0 1 EKAF CCC(CC)(CC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820024 NVGKGWLHRQQIOI-ZBEGNZNMSA-N 342.296 5.380 0 1 EKAF CSc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587962081 QMSBVLCVUHNQPW-UHFFFAOYSA-N 330.456 5.543 0 1 EKAF C[C@]1(Cc2ccc(Cl)cc2)NCCc2c(Cl)cc(Cl)cc21 963111685 RMHWEYFFNCKECW-QGZVFWFLSA-N 340.681 5.250 0 1 EKAF CC(=O)O[C@@H]1C(C(C)C)=CC=C(C)CCC=C(C)CCC=C(C)[C@@H]1O 2356498808 JSCFEQUPOIVPOF-FCHUYYIVSA-N 346.511 5.274 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356610784 YHSXZFQEBITFKT-QFIPXVFZSA-N 326.480 6.338 0 1 EKAF CC1(C)OC[C@H]([C@]2(C)CCC3=C(CC[C@@H]4C(C)(C)CCC[C@@]34C)C2)O1 2356635337 XDXYMZCWPWXFQU-NNLJWKLDSA-N 346.555 6.251 0 1 EKAF CO[C@@H]1CC(=CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)[C@@H](OC)O1 2356654549 BCNNXHSXFZXSIE-RDGNZTEISA-N 348.527 5.467 0 1 EKAF CCCCCc1c(-c2ccccc2)ncn1CCc1ccccc1OC 95565531 KOEXTMYBWCYOFN-UHFFFAOYSA-N 348.490 5.534 0 3 EKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 95581317 FFHOZBSPIAPLQP-LJQANCHMSA-N 334.444 5.082 0 1 EKAF CC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050526 PGPAGDLJVJKRPN-NWDGAFQWSA-N 345.229 5.343 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C)C4)-c1ccccc1C2=O 587100588 LPFBVPLTMGIICT-KBPBESRZSA-N 327.427 5.125 0 1 EKAF Cc1c(-c2cccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102057 MNYPVCJXSNSTCV-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF Cc1cc(F)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113687 WYHVBLLQQHLING-UHFFFAOYSA-N 345.299 5.244 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2cccc(C(F)(F)F)c2[nH]1 587156305 TXLCYNNDRWXCQA-CYBMUJFWSA-N 338.304 5.251 0 1 EKAF Cc1ccc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532311 PKSRSPNAZFYAAS-NRFANRHFSA-N 340.488 5.452 0 1 EKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)s1 587633784 LTUQILCFLRYSMS-UHFFFAOYSA-N 341.329 5.181 0 1 EKAF COc1ccc(Cl)cc1-c1[nH]c2cccc(F)c2c1C(F)(F)F 587634446 ZEACBKHEVVWDCY-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF COc1cc(OC)cc(-c2nc(-c3ccc(C)c(C)c3)cs2)c1 587921360 UYFDAUMNIZMYLB-UHFFFAOYSA-N 325.433 5.111 0 1 EKAF CC1(C)CCC(Cc2nc3cc(Br)cc(F)c3[nH]2)CC1 587960927 CSZPTSBNXUXWQC-UHFFFAOYSA-N 339.252 5.223 0 1 EKAF Cc1ccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)cc1 653767400 FZBOBLWCVYWVLW-HXUWFJFHSA-N 329.447 5.250 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc([C@H]2CCCCO2)o1 963240615 KXFQUXCHDHVTEH-ZWDAVXSWSA-N 339.479 5.267 0 1 EKAF Cc1ccc(Nc2nc(Cl)nc3ccccc23)c(-c2cc(C)[nH]n2)c1 1772584337 GPGAHSHXPYKNJT-UHFFFAOYSA-N 349.825 5.034 0 1 EKAF 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EKAF CCCCC(=O)Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 84669418 KOCYAMCBTQJIAP-UHFFFAOYSA-N 343.430 5.512 0 1 EKAF O=C(c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12 95591833 USOZNBLGPLPNJJ-UHFFFAOYSA-N 342.423 5.607 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3)cc21 144707887 UHEOLUJRLMVRPP-LJQANCHMSA-N 326.317 5.132 0 1 EKAF COc1ccc2nc(-c3nc4cc5ccccc5cc4[nH]3)sc2c1 587035886 VPURIUSICPIPKJ-UHFFFAOYSA-N 331.400 5.001 0 1 EKAF COc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062761 KVYVYEOTVUJZID-UHFFFAOYSA-N 348.833 5.483 0 1 EKAF Cc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162301 VDEBNNCAMWJAKA-CHWSQXEVSA-N 345.215 5.044 0 1 EKAF Cc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587206396 KGOBIOZOGDYXPF-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF Cc1cc(Br)ccc1C(=O)c1coc2ccc(Cl)cc12 587276193 NCZDSROSKPSMQM-UHFFFAOYSA-N 349.611 5.388 0 1 EKAF O=C(c1ccc(-c2ccccc2)s1)c1coc2ccc(Cl)cc12 587279212 PASLXWWFHYIIQK-UHFFFAOYSA-N 338.815 6.046 0 1 EKAF Cc1cc(Cl)cc2c([C@H](C)C(=O)O)c(-c3cccc(F)c3)[nH]c12 587624972 XSENBKZOSOEXHE-JTQLQIEISA-N 331.774 5.124 0 1 EKAF CCc1[nH]c2cc(F)ccc2c1Cc1ccc(Br)cc1 587632831 RTCRDRXYTUGFRS-UHFFFAOYSA-N 332.216 5.223 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2c1 587643636 HPKCBJDMDWDBMP-MRXNPFEDSA-N 326.443 6.410 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1 587929848 AHCNJHYDMGGVOB-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF Cc1ccc(SC[C@H](C)CN2CC[C@H](C(C)(C)C)CCC2=O)cc1 15937277 HGXXVFYEBLIIOT-QZTJIDSGSA-N 347.568 5.398 0 3 EKAF Cc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1 3590531 CZZQIHRLIRTTSS-UHFFFAOYSA-N 335.447 5.587 0 1 EKAF CCCCCCOC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13738027 KRZUKBPDCGCSIY-UHFFFAOYSA-N 349.471 5.739 0 1 EKAF COc1ccc2c(c1)[C@H](CCCCN1CCCC(C)(C)C1)CCC2 13781287 GEKGBTFUHITOQD-GOSISDBHSA-N 329.528 5.407 0 1 EKAF CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1CC(CCC(=O)OC)=NO1 26577821 OJUVJWPHOQQVCX-ZXHFEQFDSA-N 345.483 5.280 0 1 EKAF C/C=C(\c1ccccc1O[C@@H](C)c1cccc(Cl)c1)n1ccnc1 28764670 BOLHNCIMSMWFJJ-PYCWZYRLSA-N 338.838 5.586 0 1 EKAF Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043646 GVCONUYHNJTACG-CYBMUJFWSA-N 338.882 6.494 0 1 EKAF CCOC(=O)[C@H](C)c1ccc(NCCCc2ccc(Cl)cc2)cc1 29205169 FMXLWXDIWBECFW-OAHLLOKOSA-N 345.870 5.051 0 1 EKAF CCCCc1cn([C@@H](C)c2ccc3sc4ccccc4c3c2)nn1 84670963 HZKIOIBQLKTKEM-AWEZNQCLSA-N 335.476 5.598 0 1 EKAF Cc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)c1 96923870 QEXCGBIQJWBHDU-UHFFFAOYSA-N 347.368 5.392 0 1 EKAF COc1c(C)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1 299860907 JWPRLTRMNRVCLQ-UHFFFAOYSA-N 337.463 5.123 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)cc(-c3cccc(O)c3)n2)cc1 473133740 CUZVKGPBORGHRR-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF c1ccc(-c2ccc(OCc3cc4c5c(cccc5n3)CC4)cc2)cc1 587212643 UCPMCGJJJYMKNJ-UHFFFAOYSA-N 337.422 5.579 0 1 EKAF Cc1[nH]c(-c2ccco2)nc(=S)c1-c1cc2c3c(cccc3n1)CC2 587217187 UNTSTFCHPGSSPJ-UHFFFAOYSA-N 345.427 5.021 0 1 EKAF Cc1cccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496837 GDKZQSBROQSXNR-SFHVURJKSA-N 326.823 5.234 0 1 EKAF Cc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587508186 SUBGKJNTLFROIS-KRWDZBQOSA-N 344.813 5.373 0 1 EKAF O=C1C[C@]2(CC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528224 YZGIILFYWMZOPT-WZONZLPQSA-N 332.443 5.237 0 1 EKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(F)(F)F)c(F)c1 587630280 XPDYXVHTSMNMPA-UHFFFAOYSA-N 349.661 5.924 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCCC2)N1 587820049 OIEKEYSDUBHUFI-ABAIWWIYSA-N 340.280 5.134 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(F)c(F)c(F)c2[nH]1 587952420 QMFBUPJBQATHKC-NRUUGDAUSA-N 326.362 5.027 0 1 EKAF CC(C)(C)c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958894 LRCRRHKOFVFUPK-UHFFFAOYSA-N 340.470 6.118 0 1 EKAF Clc1cc(Cl)c2c(c1)[C@@]1(CCCC3(CCCCC3)C1)NCC2 963102662 DODRBMQAPHVURY-IBGZPJMESA-N 338.322 5.859 0 1 EKAF CC(=CC=C[C@@H](C)C=CCC(C)C)CC[C@@H]1C=C(C(=O)O)CCC1 2356561101 POOTZJVXDGHNMQ-AZUAARDMSA-N 330.512 6.319 0 1 EKAF C=CC=CCC=CCC=CCCC=C(Cl)OC=CCCC(=O)O 2356565481 XZIJBWJIVVWFHL-UHFFFAOYSA-N 336.859 5.877 0 1 EKAF CCN(CC)CCC[C@H](C)Nc1c2c(nc3ccccc13)CCCC2 1640962 WJYJFKUYTXDTAR-KRWDZBQOSA-N 339.527 5.036 0 1 EKAF Fc1ccc([C@H](Oc2cccc3ccccc23)[C@@H]2CCCNC2)cc1 13530790 IPDCCVKJMHCEER-GCJKJVERSA-N 335.422 5.099 0 1 EKAF CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 13796309 MIOCGGZLPFHSEZ-UHFFFAOYSA-N 334.485 5.149 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)N1CCC([C@@H](C)CO)CC1 13895058 CCOUQBSRJCGJNY-SLFFLAALSA-N 325.581 5.348 0 1 EKAF CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1 26834969 UURSBKYCNJOKKX-UHFFFAOYSA-N 346.474 5.494 0 1 EKAF Cc1c(C)c2ccc(O[C@H](C)c3ccc(C(C)C)cc3)cc2oc1=O 28220992 YLMNENUKJABXHX-MRXNPFEDSA-N 336.431 5.673 0 1 EKAF Fc1ccc(CO[C@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821352 KDNSMEAAGOIIEF-JOCHJYFZSA-N 346.405 5.134 0 1 EKAF C/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(/C)CCCc1ccoc1 40892191 PPIHVFQOURPZJE-WNULFKQXSA-N 332.484 6.166 0 1 EKAF Cc1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40975713 GFEWCURVFSNXHL-QFIPXVFZSA-N 345.467 6.059 0 1 EKAF CCCOc1ccc([C@@](C)(O)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 49111254 LMPYMKPKXJBEDP-CZUXWHQDSA-N 328.496 5.622 0 1 EKAF Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 66122851 CORIYVIBVYLGKQ-UHFFFAOYSA-N 346.426 5.258 0 1 EKAF CCCC1(CCC)c2ccccc2C(=CCCN(C)C)c2ccccc21 84671789 JNSWTZPIDCIYQM-UHFFFAOYSA-N 347.546 6.270 0 1 EKAF C[C@@H]1CC2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2=C(O)O1 101816718 GUCQPLYCDVLKKP-ADLMAVQZSA-N 340.810 5.158 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(Nc5ccccn5)nc4c3)ccc21 149417006 AYGVHFFGSLVLJJ-UHFFFAOYSA-N 340.386 5.125 0 1 EKAF CCc1cc(OCc2nc3ccc(OC(C)C)cc3[nH]2)ccc1Cl 587052843 PGKRARJLNSJOOQ-UHFFFAOYSA-N 344.842 5.145 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(F)c2[nH]1 587061986 NCZZONAYRMLLPJ-ZDUSSCGKSA-N 339.197 5.539 0 1 EKAF FC(F)(F)c1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085228 NPLAIDYUKICAKW-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)c2c(C)cccc21 587483724 RTHAFJAEFFEUPT-JLCFBVMHSA-N 336.431 5.021 0 1 EKAF CC(C)[C@@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587528236 ZHYFBWNCEOBEKK-ZHRRBRCNSA-N 326.480 5.506 0 1 EKAF 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EKAF CCOP(=O)(CCCCCCOc1ccc(Cl)cc1)OCC 27757749 GSNSJLNKHZFGRG-UHFFFAOYSA-N 348.807 5.545 0 1 EKAF CSc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH]1 28221063 DSBGSXSLZFECHO-UHFFFAOYSA-N 334.366 5.484 0 1 EKAF Fc1cccc(F)c1[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23 45370746 CSKRTUCUHUBPBR-IBGZPJMESA-N 333.341 5.023 0 1 EKAF Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)cc1 49089846 MCBGILSXWGMMSH-OAQYLSRUSA-N 347.439 5.456 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(Cl)cc2Cl)n1 72182289 SBNSYUQDVQZGKA-LBPRGKRZSA-N 341.282 5.707 0 1 EKAF CC(C)(O)CCCCc1ccc(/C=C/[C@]2(C)CC[C@@H](O)CC2)cc1 101475545 MKMRCUYUGCJFBS-DJYLBZHRSA-N 330.512 5.125 0 1 EKAF CC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC/C(C(C)C)=C\C=C(/C)C1 139546233 ZXMGJANZKKPGCH-QSADTFCHSA-N 330.512 6.304 0 1 EKAF CO[C@@H]1C/C(=C\C[C@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)[C@@H](OC)O1 238757752 BCNNXHSXFZXSIE-VSDSEREMSA-N 348.527 5.467 0 1 EKAF C/C=C/CCCCCCCC/C=C/C=C/c1cc(OC)cc(=O)o1 238762665 DNFXGOXBILBXTD-MHIMLCKZSA-N 330.468 5.915 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586882910 CVNLDWRVYWMUHN-UHFFFAOYSA-N 330.284 5.248 0 1 EKAF COc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062625 HPGWBAWRAXZYPN-UHFFFAOYSA-N 348.833 5.483 0 1 EKAF Cc1c(F)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112354 LXIZNXKTCOMAMQ-UHFFFAOYSA-N 345.299 5.244 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587153537 UHCHLTZSQMVEHE-UHFFFAOYSA-N 340.760 5.829 0 1 EKAF Cc1cc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)ccc1F 587210691 VXKNOHATJLSRKP-UHFFFAOYSA-N 339.413 6.115 0 1 EKAF CC[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352510 JVQGXFSOEGVQGA-JBZDTAIVSA-N 342.410 5.085 0 1 EKAF O=C1C[C@]2(CC3C[C@H]4CC2C[C@@H](C3)C4)Oc2c1ccc1c2CCCC1 587529127 JJSJGQHHEIHURK-XZDUCMMGSA-N 336.475 5.116 0 1 EKAF CC(C)c1cc(O)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534804 YXDKDZBSLHFMHD-NRFANRHFSA-N 336.431 5.101 0 1 EKAF O=C1C[C@H](c2ccc3sccc3c2)Oc2c1ccc1c2CCCC1 587536137 RYMKNBPFKRMLNC-LJQANCHMSA-N 334.440 5.487 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(Cl)c3)c(O)c2c1 587639599 ALPAAKWNVUEVDB-NSHDSACASA-N 329.827 5.716 0 1 EKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)CC2 587938169 QGFPTCFFFUKQQV-NSHDSACASA-N 347.245 5.151 0 1 EKAF CC(C)(C)c1cccc(Cn2c(C(=O)O)cc3ccc(Cl)cc32)c1 653869559 SZPRUFRWXFTUDT-UHFFFAOYSA-N 341.838 5.339 0 1 EKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCCC1CCCCC1 15924708 XMBWMCVSJJIICZ-NRFANRHFSA-N 341.543 5.545 0 3 EKAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 19851445 HZJRRCMQPKSHRC-RHMWETHNSA-N 348.273 5.220 0 1 EKAF CC(=O)c1ccc2c(c1)[C@H](C[C@H](C)CN(C)C)c1ccccc1S2 27741889 UANDJSJLPRJVNB-KBXCAEBGSA-N 339.504 5.074 0 1 EKAF CCCC[C@H](c1cccnc1)c1ccc(Oc2ccccn2)c(OC)c1 40847145 ATPRVJWCGOUUJK-IBGZPJMESA-N 348.446 5.600 0 1 EKAF Cc1cc(C)cc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)c1 84375211 SZXRZQQHMPRJNE-UHFFFAOYSA-N 344.625 5.222 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586904660 XTEFGOKEHCBYFK-UHFFFAOYSA-N 332.737 5.470 0 1 EKAF 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Clc1cc(Cl)cc(Nc2ccnc3[nH]c4ccccc4c23)c1 169312105 JEKRRJSROKXYOL-UHFFFAOYSA-N 328.202 5.767 0 1 EKAF CCC/C=C\c1oc(CCCCCCCCC(=O)OC)c(C)c1C 238787399 KABWSHPOQRAYAB-KAMYIIQDSA-N 334.500 6.156 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)CC1 586878730 AHXUADXIMZIUIX-WKILWMFISA-N 348.494 5.501 0 1 EKAF Clc1cc(Cl)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587084960 JYUNLDDMWKVYMG-UHFFFAOYSA-N 348.620 5.738 0 1 EKAF Cc1c(-c2cccc(N)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103910 CDBAGKPJAGKRCH-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3c(C)c(C)ccc3[nH]2)cc1 587932927 SBENKWGRPGJGTD-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF Cc1cncc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949899 MNKYEEGEGDFOBK-QXMHVHEDSA-N 327.387 5.229 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(C)(C)C)c2[nH]1 587952437 QTJGVWUMDYOIFK-RKVPGOIHSA-N 328.500 5.907 0 1 EKAF Cc1cc(F)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587957052 YURCXXRHWCWVST-GOSISDBHSA-N 330.406 5.385 0 1 EKAF CC(C)(C)[C@@]1(c2ccccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963115908 WGCVUBOJTDSNJB-VGSWGCGISA-N 341.445 5.275 0 1 EKAF Clc1cccc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)c1 1772599559 MOKKPGYJRAMITH-UHFFFAOYSA-N 349.865 5.819 0 1 EKAF CCCCC[C@@H]1O[C@H](CCCCCCCCC(=O)OC)[C@@H](C)[C@H]1C 2356427201 RVTUJFHXENKYMN-FUMNGEBKSA-N 340.548 5.900 0 1 EKAF CC(C)CCCCCCCCCCCCC=COC[C@@H](O)CO 2356760492 NMFGSVYEWMRKOM-FQEVSTJZSA-N 328.537 5.207 0 1 EKAF C[C@H]1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2 1858290 ONJUREUCGKVEGP-AWEZNQCLSA-N 339.460 5.001 0 1 EKAF Cc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3cc2c1 8609610 GVFXMTBLDLUONK-UHFFFAOYSA-N 336.391 5.149 0 1 EKAF aggregator C/C(C[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)=N\O 36189546 BBTANPTXEJOKGM-GAJFCILDSA-N 343.511 5.375 0 1 EKAF Oc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)cc1 72114612 DFCAFWVCQZVLLU-UHFFFAOYSA-N 349.340 5.024 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2O)c1 73198754 INRMPIGLJNUSCU-UHFFFAOYSA-N 339.394 5.494 0 1 EKAF Cc1ccc(-c2nc3c(o2)c2c(c4ccccc43)OC(C)(C)C2)cc1 95577815 MJFVWXBSSKROCE-UHFFFAOYSA-N 329.399 5.670 0 1 EKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCCC1 299869397 UQQYNIWNANGMEW-HZJYTTRNSA-N 347.587 6.812 0 1 EKAF Fc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1C(F)(F)F 586884339 HCQXRCQUACQTDL-UGSOOPFHSA-N 346.327 5.092 0 1 EKAF COc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049002 KFJXTNUOQSHOIV-MNOVXSKESA-N 333.218 5.149 0 1 EKAF Clc1cc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2cn1 587085291 RASMXRJABMBCEH-UHFFFAOYSA-N 329.790 5.585 0 1 EKAF COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114389 SRXWEJSKAPEEMV-LBPRGKRZSA-N 348.368 5.245 0 1 EKAF Cc1c(CCc2ccc(Br)cc2)[nH]c2cccc(F)c12 587632763 OTLMDQRWIFUEFS-UHFFFAOYSA-N 332.216 5.163 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2)cc1O 587785658 DPLLQSMKUVJODC-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF CC1=C(C[C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)C(C)(C)CCC1 963118881 XVWCULCITWRUOR-WIYYLYMNSA-N 327.487 5.804 0 1 EKAF O=c1oc2cccn2c2ccc(-c3ccc(-c4ccccc4)cc3)cc12 1772613544 ZFPJGQKRBOCREF-UHFFFAOYSA-N 337.378 5.380 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1coc2ccccc12 1772645068 BONWPEISXQMULY-SNAWJCMRSA-N 345.364 5.597 0 1 EKAF CC(=CCCc1ccoc1)C[C@@H]1C=C(CC=Cc2ccoc2)C(=O)O1 2356592962 RSURXMFKHSIZSB-HXUWFJFHSA-N 338.403 5.097 0 1 EKAF Clc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1Cl 6584552 ZPZKXVCABZIJGD-UHFFFAOYSA-N 327.214 5.614 0 1 EKAF CCC1=N[C@@H](c2ccccc2)c2ccccc2[C@@H](c2ccccc2)N1C 13600362 CKNBSYUQDPSTTN-BJKOFHAPSA-N 340.470 5.619 0 1 EKAF Clc1ccc([C@H]2C[C@H](N3CCCC3)c3ccccc32)cc1Cl 29489077 UIVROQLNUFGFCX-APWZRJJASA-N 332.274 5.666 0 1 EKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(OC)c3CC[C@H]21 38306933 HZXOUDMJPQDDQR-STZQEDGTSA-N 344.495 5.002 0 1 EKAF CC(C)C[C@H](c1c[nH]c2ccc(F)cc12)N(O)Cc1ccccc1 71331936 PAQQKGSBFKPSFD-HXUWFJFHSA-N 326.415 5.286 0 1 EKAF Cc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2)o1 82162600 SGWRBECIAQXRLN-UHFFFAOYSA-N 348.450 5.099 0 1 EKAF CCNc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 84672134 FXYVCQGCVWGDPN-UHFFFAOYSA-N 338.798 5.205 0 1 EKAF Cc1cc(C)c(Nc2cccc(Oc3c(C)cc(C)cc3C)c2)c(C)c1 95576699 KTHJIMFDTRBDDY-UHFFFAOYSA-N 345.486 7.073 0 1 EKAF C[C@@H](N=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169684358 YNMJLRBUCXPPSH-SWVQUTDYSA-N 329.484 5.001 0 1 EKAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 195520402 DFXPIMWGGIKCJK-KKXYHZGYSA-N 344.539 5.993 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586879790 JOIMXRYKPBXUBG-UHFFFAOYSA-N 343.268 5.680 0 1 EKAF Cc1cnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 587048984 FTUCPYWPVQVRMD-UHFFFAOYSA-N 347.805 5.066 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 587171708 RIVWAOSPZUUZCF-ZDUSSCGKSA-N 342.483 5.895 0 1 EKAF CCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526713 ZHQQEOUCZKKSHI-OAQYLSRUSA-N 336.431 5.061 0 1 EKAF CC1=C(C)O[C@](C)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587530523 CWDQHLSXYFQVAN-VXKWHMMOSA-N 340.463 5.152 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587952404 QHOHYWYMVUSSON-GMBSWORKSA-N 328.500 5.907 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2n1 587969759 WGXDHPMUACDVTI-SDNWHVSQSA-N 327.431 5.579 0 1 EKAF Oc1ccccc1-c1cc(-c2ccccc2)nc2c1Cc1ccccc1-2 653735669 MWCCELHOXMQJAM-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC 13742184 OSFVSUUFEJIXBO-UHFFFAOYSA-N 348.446 5.532 0 1 EKAF CCN(CC)CCNc1cc(Cl)ccc1Sc1ccccc1 13763960 SNTKKZFJGGGBAR-UHFFFAOYSA-N 334.916 5.245 0 1 EKAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1 29135893 BXXGIXJALZAJTA-UHFFFAOYSA-N 345.320 5.176 0 1 EKAF CC[C@@H]1C[C@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 103178583 RMJYIGSZMFOADY-XCLFUZPHSA-N 342.870 5.552 0 1 EKAF CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nnc(-c2ccc(Cl)cc2)o1 103275809 JOJCXIAKLCKOAS-ZYHUDNBSSA-N 343.641 5.449 0 1 EKAF COc1ccc(/C=C/c2cc(OC)c(CC=C(C)C)c(OC)c2)cc1 141252271 FDLKGACURJDMFZ-BQYQJAHWSA-N 338.447 5.392 0 1 EKAF biogenic,in-vitro COC(=O)CCCC/C=C/C/C=C\CCCCCCCC(=O)OC 238783729 BJEPALDWQRJLJD-GAWLIRPZSA-N 338.488 5.126 0 1 EKAF CC(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587145569 MTOYELXSJXOYCK-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF CCCCC/C=C\c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206441 MPNIUYOBYFEODS-POHAHGRESA-N 327.427 6.040 0 1 EKAF CC(C)(C1CCC(=O)CC1)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587215410 NCXICLKVXQLSMK-KRWDZBQOSA-N 347.502 5.224 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C(C)C)(C1CCCCC1)CC2=O 587488256 IPNXUXMECVGDCK-NRFANRHFSA-N 330.468 5.285 0 1 EKAF Cc1cc(Cl)cc2c(CC(C)C)c(-c3ccc(Cl)cc3)[nH]c12 587624460 MQZQJPXNSIDTQO-UHFFFAOYSA-N 332.274 6.649 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)C)c2c1 587641672 ODLIGPQVJIMLLL-AWEZNQCLSA-N 325.883 7.125 0 1 EKAF CCc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949630 JGTSGSQKNISZBM-SQFISAMPSA-N 340.426 6.088 0 1 EKAF COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587956102 UCWAZVWGCKRAAP-IBGZPJMESA-N 342.442 5.255 0 1 EKAF c1csc(-c2cnc3cnc(-c4cc5ccccc5s4)cn23)c1 653752966 SYIOFRZXORZWJO-UHFFFAOYSA-N 333.441 5.340 0 1 EKAF FC(F)(F)c1cccc(/C=C/c2cc3ccccc3nc2Cl)c1 653798433 SRVCVLHHMUDBQD-CMDGGOBGSA-N 333.740 6.077 0 1 EKAF S=c1ssc(-c2cnccn2)c1Cc1ccc(Cl)cc1 653847498 HYSUCTWUMKPRRM-UHFFFAOYSA-N 336.894 5.240 0 1 EKAF CCC[C@H](C)C[C@@H](C)C=C(C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356484391 SAHYKMIMGJKBCR-UONOGXRCSA-N 332.484 5.774 0 1 EKAF C=CN(O)NCCCCCCCC(=O)CCCCCCC(C)C 2356817214 DITFLWYLDQRKND-UHFFFAOYSA-N 326.525 5.232 0 1 EKAF CCc1ccccc1N(C)C(=O)c1cc2cc3ccc(C)cc3nc2o1 429010 CSVAWQJVQWGHSW-UHFFFAOYSA-N 344.414 5.128 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1CN2CCC1CC2 13757102 JYKGVYPJUOEYGA-IQDGIQOZSA-N 331.544 5.516 0 1 EKAF COc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)n2ccnc2)cc1 28236614 XEBCLRDNKDPMCD-GOSISDBHSA-N 347.245 5.031 0 1 EKAF c1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40950429 BHZGAVDQPKAVLD-DEOSSOPVSA-N 338.454 5.577 0 1 EKAF in-vivo CC1(C)C[C@](CCNc2cccc(Cl)c2)(c2cccs2)CCO1 72112016 NCUUPWBPTJPQBM-LJQANCHMSA-N 349.927 5.731 0 1 EKAF Clc1ccc(Nc2nnc(-c3c[nH]c4ccccc34)s2)cc1 84670006 UHRIWZZABUZHBX-UHFFFAOYSA-N 326.812 5.083 0 1 EKAF COc1ccc2c(c1)[C@@]13CCC[C@H](C)[C@H]1[C@@H](C2)N(C=C1CCC1)CC3 101228263 GXHZDJZDYXULJN-YYLLSARXSA-N 337.507 5.067 0 1 EKAF CCCC(=O)c1c(O)cc(O)cc1OC/C=C(\C)CCC=C(C)C 148358553 AIIDZXUGOHJETB-XNTDXEJSSA-N 332.440 5.152 0 1 EKAF CC(=O)OC/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CCCC1(C)C 238752245 PQYWBNNJEQNUKJ-HPDGHVIKSA-N 332.528 6.385 0 1 EKAF CCCCC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCCC=C12 253855718 XMTVISLAECGBLA-OINBALOQSA-N 342.567 6.715 0 1 EKAF CCCCCCc1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587207785 VTFFCFXRDYUYSJ-UHFFFAOYSA-N 343.470 6.131 0 1 EKAF CC[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364490 BROCGDQOQFNJBV-CQSZACIVSA-N 331.415 6.170 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1CCCC1)(C(C)(C)C)O2 587402970 JMFUQMAQJAADMI-NRFANRHFSA-N 329.484 5.298 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(C)(C)C)CC2=O 587479297 CYGBCADRIZQSQO-JOCHJYFZSA-N 338.447 5.252 0 1 EKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(C)c2[nH]1 587925427 ABXYMGUOJLMBNT-CQSZACIVSA-N 344.842 5.084 0 1 EKAF COc1cccc(C2(c3nc4cccc(C(C)(C)C)c4[nH]3)CCCC2)c1 587932386 DSKUNFYNTFUDQT-UHFFFAOYSA-N 348.490 5.729 0 1 EKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)CC2 587937929 OSMWZAHKRVWMOX-NSHDSACASA-N 347.245 5.151 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)C1 587968889 HTUPHPCBWPWGQS-NXEZZACHSA-N 339.252 5.394 0 1 EKAF CCc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(F)c1F 963110325 PKPUCBBOIIFKRP-QGZVFWFLSA-N 342.216 5.069 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1F)C1CCC1 963230352 PHFWTOCBMVZTBT-SBUREZEXSA-N 337.482 5.526 0 1 EKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCC[C@@H](C(C)(C)C)CC1 963602595 ABDFMNWIBODBMY-DMPWYTOCSA-N 345.527 5.060 0 1 EKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2cc(Cl)c(O)cc2C[C@]13C 2356857502 SJGGZNSVPHOEPD-NDKINLCJSA-N 348.914 5.982 0 1 EKAF CN1CCCC[C@@H]1CCC1(c2cccs2)SCCCS1 13554202 DHAIVYQTIJWDDX-CQSZACIVSA-N 327.584 5.036 0 1 EKAF CCCCCC[C@@H]1CC[C@@H]2CCCC[C@@]23CC[C@@H](SC#N)CN13 15214467 VMURKEGWZZKIHB-MTQWCTHYSA-N 334.573 5.727 0 1 EKAF biogenic O=C(O)/C=C/c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 40563704 IWJSKYKXLNDIGK-SDNWHVSQSA-N 345.398 5.189 0 1 EKAF Oc1cc(Cl)cc(Cl)c1-n1cc(Cl)c(Cl)c1Cl 42892205 ZSUVDKFLDHDMOZ-UHFFFAOYSA-N 331.413 5.450 0 1 EKAF biogenic CC1(C)C[C@@](CCNc2cccc(F)c2)(c2ccccc2)CCO1 72109121 ICHQTFJZIXMILE-NRFANRHFSA-N 327.443 5.155 0 1 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCCN1[C@@H](C)CCC[C@H]1C 95602617 FMDPCZTUIANEMU-OTWHNJEPSA-N 329.528 5.548 0 1 EKAF c1ccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cc1 117922238 TYYSIBSRZTXCNR-UHFFFAOYSA-N 336.438 5.518 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccnc(Cl)c2[nH]1 587050850 RAAYSMOYRCTWCT-HTQZYQBOSA-N 338.625 5.189 0 1 EKAF CC(C)(C)c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073788 NCFWNFBWOOVVND-UHFFFAOYSA-N 338.882 5.788 0 1 EKAF C[C@@H](c1nc2cnc3ccccc3c2[nH]1)c1ccccc1C(F)(F)F 587096990 GCEUUXJXTFPCDI-LLVKDONJSA-N 341.336 5.282 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C)[C@H]4C)-c1ccccc1C2=O 587100403 IVRRZGUKHNFXJO-TZMCWYRMSA-N 327.427 5.440 0 1 EKAF COc1cccc2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587106534 JBIUFTMPUPMMPM-UHFFFAOYSA-N 349.389 5.026 0 1 EKAF Cc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114435 UEWUURKHRROLCO-ZDUSSCGKSA-N 332.369 5.545 0 1 EKAF Cc1ccc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)cc1F 587146897 ZYPSEPGSMCDZKY-YVMONPNESA-N 345.215 5.252 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SCC(C)C)cc1)O2 587409580 MQKRCTSLUBWDSD-IBGZPJMESA-N 341.476 5.032 0 1 EKAF O=C1C[C@@H](c2ccccc2C(F)F)Oc2c1ccc1c2CCCC1 587502454 FCHCOIRDJJETOY-SFHVURJKSA-N 328.358 5.210 0 1 EKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)s1 587633327 ACBQXXITNXCULB-UHFFFAOYSA-N 327.302 5.089 0 1 EKAF Clc1ccc2c(c1)N(CC[C@@H]1CCCCN1)c1ccccc1S2 1772623950 IAFZOTMGZGOWCB-HNNXBMFYSA-N 344.911 5.475 0 1 EKAF CC[C@@H](OC)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1 1857580128 TYOLBGAEDFHWIT-HXUWFJFHSA-N 337.419 5.327 0 1 EKAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@@]12C 4611570 TWPKVIVCLJTFPY-MBPVOVBZSA-N 334.500 5.040 0 1 EKAF Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@@H]2[C@@H]41 6521859 UGGAILYEBCSZIV-AMUINCDKSA-N 342.479 5.146 0 1 EKAF in-man COC1(c2cccc(COc3ccc4ccccc4c3)c2)CCOCC1 13734559 ICZDCNYKCROKCL-UHFFFAOYSA-N 348.442 5.071 0 1 EKAF CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C 13765093 KSSLWRODFWYIQS-HNNXBMFYSA-N 332.447 5.081 0 1 EKAF COc1ccc2[nH]c(CN[C@@H](C)c3cccc4ccccc34)cc2c1 27076694 AMWNDUKPAIHDBJ-HNNXBMFYSA-N 330.431 5.181 0 1 EKAF Cc1c(COc2nc3ccccc3s2)cccc1OCC(C)C 27433371 GMHZKWSPBZNCDM-UHFFFAOYSA-N 327.449 5.219 0 1 EKAF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1 28456222 RULZSIQMRFGMKN-UHFFFAOYSA-N 343.839 5.101 0 1 EKAF CSC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29306264 SDUDQZJKPHUYIS-GYMWBFJFSA-N 326.546 5.779 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccon1 58609765 ZHAAOWWJHBCHFK-WZYQIZRJSA-N 341.495 5.082 0 1 EKAF Brc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 72170884 BGMKDXZAVMKCFI-VMPITWQZSA-N 347.302 6.410 0 1 EKAF CC[C@@H]1CCCCN1Cc1c(F)ccc2nc(-c3ccccc3)[nH]c12 84604151 HCFMOOMOGCSHLA-MRXNPFEDSA-N 337.442 5.134 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)c1 473135677 RLHDACOAKSGEAY-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586963378 MDBKGCUADQENEQ-SECBINFHSA-N 338.263 5.259 0 1 EKAF Fc1cc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2cc1Cl 587060522 GVYDQZJEGDESCR-UHFFFAOYSA-N 348.164 5.331 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4C(C)C)-c1ccccc1C2=O 587100694 OJLXBVAJCLPUSA-AWEZNQCLSA-N 327.427 5.440 0 1 EKAF Cc1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129337 WSWANKCLRORATC-UHFFFAOYSA-N 341.386 5.599 0 1 EKAF CCOc1cc(/C=C/c2nc3cccc(C)c3[nH]2)ccc1OC(F)F 587130775 QANMWOFXNYPGHW-CSKARUKUSA-N 344.361 5.042 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587152256 KXOFRBNEUCGYLU-HTQZYQBOSA-N 340.707 5.044 0 1 EKAF O=C(c1ccc(F)c(C(F)(F)F)c1)c1coc2ccc(Cl)cc12 587278168 HWBUQJGWMPYLRB-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF COc1cccc(-c2cc([C@@H]3OC3(C)C)nc3c2oc2ccccc23)c1 587367672 YMKJWCFBHXJUMQ-NRFANRHFSA-N 345.398 5.507 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(Cl)c1)CC2=O 587461991 MFVMLUFVHBCUGW-HXUWFJFHSA-N 344.838 5.269 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C)c(C)c1)CC2=O 587490644 SSEYERULOMGNOQ-JOCHJYFZSA-N 338.447 5.232 0 1 EKAF CCCCC(Cl)(Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500327 WHCVBPLKMSPRMJ-INIZCTEOSA-N 341.278 5.263 0 1 EKAF CC(C)(C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523898 MCIIFYKVAYUBGD-HSZRJFAPSA-N 334.459 5.472 0 1 EKAF Oc1ccc(-c2ccc(-c3nc(-c4ccc(F)cc4)cs3)cc2)cc1 587923237 XFJCVWPLQKJIPC-UHFFFAOYSA-N 347.414 5.989 0 1 EKAF CCCC/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587965583 NNDGOGBNYUACTK-AATRIKPKSA-N 347.178 5.548 0 1 EKAF c1ccc(-c2cc(-c3ccccc3)c3c4c(ccc3n2)OCO4)cc1 1772636313 XLVFQJVRDOZWSY-UHFFFAOYSA-N 325.367 5.298 0 1 EKAF CO[C@@H]1C2=C(CC[C@@H]1C(C)C)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC2 2356697724 NAFHEAGJURRYHU-WFUUAIFHSA-N 334.500 5.055 0 1 EKAF CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC1(CCCCCC1)O2 26840401 JSWOAWAKGVVBJS-UHFFFAOYSA-N 330.512 6.015 0 1 EKAF CC(C)c1ccc(O)cc1Nc1ccnc2ccc(C(F)(F)F)cc12 45210037 WNOLIEIORGFJFT-UHFFFAOYSA-N 346.352 5.826 0 1 EKAF Cc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 72110215 WQURFRHDPQQANU-DEOSSOPVSA-N 336.438 5.207 0 1 EKAF CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 72139662 WPQHMJJUKITZNQ-VQTJNVASSA-N 332.447 5.111 0 1 EKAF CC1(C)C=Cc2cc(CNc3ccccc3Br)ccc2O1 73163252 NILBEACSMDBBDL-UHFFFAOYSA-N 344.252 5.245 0 1 EKAF O=C(OCCc1ccccc1)N1c2ccccc2Oc2ccccc21 95575869 JULZTAOMSNGTFU-UHFFFAOYSA-N 331.371 5.310 0 1 EKAF S=c1[nH]c2c(c(=S)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1)N2 103163689 IJJCBEWASPWVHH-ZDUSSCGKSA-N 327.478 5.187 0 1 EKAF Cc1cc(=O)oc2c1ccc1oc([C@H](N=O)c3ccccc3)c(C)c12 169688028 JBAGCUUTLOWNBK-GOSISDBHSA-N 333.343 5.012 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4c(Br)cccc4[nH]3)cc2C1 587033844 NWWLPIWMPARLSK-SECBINFHSA-N 347.281 5.179 0 1 EKAF FC(F)(F)c1ccccc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587099223 ZVDXNBAEVNVHOX-UHFFFAOYSA-N 345.151 5.479 0 1 EKAF CC[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587101955 XTDZDUQLXGOFFB-CQSZACIVSA-N 327.427 5.270 0 1 EKAF Clc1ccc(-c2cc3c4c(cccc4n2)CC3)c(Br)c1 587207643 IFODQHVSKVCIEO-UHFFFAOYSA-N 344.639 5.416 0 1 EKAF C[C@@H]1CC(C)(C)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208797 ZLKXBJAXWXVBMR-CYBMUJFWSA-N 327.427 5.522 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](F)CCC3)c1 587359526 FEVPQQZZIUGXMG-QGZVFWFLSA-N 347.389 6.004 0 1 EKAF CC[C@@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501282 BGENLRGZFBGADW-NRFANRHFSA-N 342.385 5.114 0 1 EKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)cc(C)c3[nH]2)cc1 587938130 SVENFOQAKPHUHO-NRFANRHFSA-N 342.442 5.369 0 1 EKAF Cc1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949469 HOFUTQLHDWFWOB-CCEZHUSRSA-N 326.399 5.834 0 1 EKAF Cc1[nH]c2c(C)cccc2c1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963107123 NWTIVEXJXOJXHY-AOMKIAJQSA-N 334.438 5.034 0 1 EKAF COc1ccc(Cl)c(-c2ccc(NC(=O)C3CCCC3)cc2)c1 1857647189 LYSQRIZTNMLZMT-UHFFFAOYSA-N 329.827 5.144 0 1 EKAF CCCCO[C@@H]1CCCc2nc(Nc3ccc(Cl)cc3)sc21 1857649433 UTOPUQSHIOYYAO-OAHLLOKOSA-N 336.888 5.734 0 1 EKAF Cc1cc(OCCCN2CCCCC2)ccc1-c1cc2ccccn2c1 13489852 PMMBDDSXHUVMDX-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF CCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1C1CCCC1 13587032 QIEFQQGIUCFUTN-UHFFFAOYSA-N 348.446 5.171 0 1 EKAF C[C@@H](CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 28335084 FLABEIHNLMJFOH-GKVQRAMASA-N 340.470 5.665 0 1 EKAF Oc1cc(-c2ccccc2)ccc1Oc1ccc(Cl)cc1Cl 29059800 NOKHJANPMHROFU-UHFFFAOYSA-N 331.198 6.158 0 1 EKAF in-vivo CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1 72120335 NEUFNGGUDGNSMD-UHFFFAOYSA-N 342.483 5.093 0 1 EKAF CCc1ccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)cc1 82162434 YSNLJZFBWQDHLF-UHFFFAOYSA-N 337.511 5.723 0 1 EKAF COc1cc(Cl)ccc1C(=S)Nc1ccc(Cl)c(Cl)c1 84415215 ULCJJGUPKURFNH-UHFFFAOYSA-N 346.666 5.443 0 1 EKAF c1ccc2c(c1)OCc1c(-c3ccsc3)cc(-c3ccsc3)nc1-2 299822597 OMUVJQFLWOVMHG-UHFFFAOYSA-N 347.464 6.098 0 1 EKAF CC(C)=C/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992380 WAQGYHVMEPEBQK-ALCCZGGFSA-N 327.383 5.131 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)C[C@H]4C)-c1ccccc1C2=O 587100013 DAMXGZHSUWQREA-CQSZACIVSA-N 341.454 5.831 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CCCCCCC4)-c1ccccc1C2=O 587101459 SXHDULFTAJRVKK-UHFFFAOYSA-N 341.454 5.804 0 1 EKAF Cc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587126510 YVNSTHCZZCCUOU-JXMROGBWSA-N 334.366 5.654 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@@]1(C)CCC(C)=C(C)C1)CC2=O 587482331 NOYPZBLBROWLCD-CTNGQTDRSA-N 328.452 5.205 0 1 EKAF Cc1ccccc1C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520795 AVYNMDVIGQCOIJ-DEOSSOPVSA-N 346.470 5.231 0 1 EKAF O=C1C[C@@H](c2ccc3cc(O)ccc3c2)Oc2c1ccc1c2CCCC1 587533220 OZBZVUIUPXMVRL-QFIPXVFZSA-N 344.410 5.131 0 1 EKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c(C)cc(Cl)cc12 587624507 KTZKGBGDPPIODT-UHFFFAOYSA-N 348.877 6.324 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1C 587631593 QBSMRNGZTSKPAV-UHFFFAOYSA-N 330.790 5.138 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587951848 IZOACGKQADNQNN-BBBLOLIVSA-N 344.352 5.166 0 1 EKAF Oc1ccc(-c2cc(-c3ccoc3)cc(-c3cccc(Cl)c3)n2)cc1 653737639 NGFPOTBLFWGEKR-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc3ccc(Cl)cc3[nH]2)N1 962952020 JRKCBMZDNDJBAZ-SZNDQCEHSA-N 349.865 5.316 0 1 EKAF CCCN(CCC)[C@H]1CCc2c(cccc2-c2ccccc2Cl)C1 1911572791 QSQZCAQYYCNBSR-SFHVURJKSA-N 341.926 5.986 0 1 EKAF CC=Cc1ccc2oc(-c3ccc(OC(C)=O)c(OC)c3)c(C)c2c1 2356445917 SQHGDMJYNROBOW-UHFFFAOYSA-N 336.387 5.375 0 1 EKAF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@@H]2C(C)C 2356801301 RLXJCCXGMIMKOS-YSFYHYPLSA-N 348.527 5.595 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@H]2CCc3cc(C(C)C)ccc3[C@]2(C)C1 13302861 WIPBCBTWUKPWAM-UZKOGDIHSA-N 328.496 5.382 0 1 EKAF biogenic CC[C@H](c1ccccc1)[C@@H]1C(=O)CC(CC(C)C)(CC(C)C)OC1=O 13760353 QSNGGUCNKQVWOS-UYAOXDASSA-N 344.495 5.143 0 1 EKAF Cn1c(-c2ccccc2)c(C2=CC[C@@H](C(=O)O)CC2)c2ccccc21 29397076 YBFVMNRPLILYFI-QGZVFWFLSA-N 331.415 5.113 0 1 EKAF CCn1cc/c(=N\c2ccccc2CCc2ccccc2)c(Cl)c1 43121735 KRWSXMKFUMNVQF-XTQSDGFTSA-N 336.866 5.179 0 1 EKAF COc1cccc([C@@H]2CC(c3ccc(O)cc3)=Nc3ccccc3O2)c1 49125447 SINYYMFJTVHNFV-QFIPXVFZSA-N 345.398 5.045 0 1 EKAF O=C(c1ccccc1)c1c(-c2ccccc2)cc2c3ccccc3ccn12 71281885 SEIMXQLRGPOQNZ-UHFFFAOYSA-N 347.417 5.991 0 1 EKAF C[C@H]1C[C@@H](Nc2cncc(Oc3ccc(F)cc3)n2)CC(C)(C)C1 82068835 HOVMFORTAOILDW-DZGCQCFKSA-N 329.419 5.035 0 1 EKAF CCCO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920101 MBUCBKWHVREBFB-JCNKSZRGSA-N 332.528 5.393 0 1 EKAF O=C(CC1CCCCC1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309152 ZTWGGZANLIOGGW-UHFFFAOYSA-N 342.386 5.224 0 1 EKAF CCCCC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1C1CCCCC1 221356084 DPPSRTCRZYGJKB-UHFFFAOYSA-N 341.451 5.595 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 250496980 CSVZRSLESIKPMY-OPXVNJCFSA-N 347.458 5.244 0 1 EKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(O)cc2[nH]1 587014950 URFATNIJTLEXLM-UHFFFAOYSA-N 341.823 5.021 0 1 EKAF Clc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587068535 CHUPNECFLOWRCH-UHFFFAOYSA-N 334.806 5.462 0 1 EKAF Cc1cc(Cl)cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587136805 WEICUHMRYZNACC-UHFFFAOYSA-N 347.821 5.090 0 1 EKAF Cc1nc(-c2cccc(F)c2)sc1-c1cc2c3c(cccc3n1)CC2 587214121 WOQRWHKFJRVOFE-UHFFFAOYSA-N 346.430 5.571 0 1 EKAF COc1cccc(-c2cc(CC3(C)CC3)nc3c2oc2ccccc23)c1 587364487 BPOJASSYVKGQRY-UHFFFAOYSA-N 343.426 5.999 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1 587642615 OSOCSSMKXNNCMI-INIZCTEOSA-N 343.445 7.155 0 1 EKAF CC[C@H](C)C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814583 UMQRSYCVXHDXLT-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF CC(C)=CCCC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1 2356553272 TUADKQOMMLPDOK-UHFFFAOYSA-N 332.440 5.008 0 1 EKAF CCCCCC=CCC=CC[C@@H](O)C=CC=CCCCC(=O)OC 2356666027 IJELSWIHFPVLQK-HXUWFJFHSA-N 334.500 5.276 0 1 EKAF COC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCO3)cc1 13781196 YAZZXCKTXNNNGA-FYWRMAATSA-N 336.431 5.094 0 1 EKAF CCCCc1ccc(NC(=S)Nc2ccc(OCCC)cc2)cc1 34892400 NDOJRQHUOXADND-UHFFFAOYSA-N 342.508 5.627 0 1 EKAF Cc1cccc(C)c1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 72183683 CETWTOZRMPCTFO-UHFFFAOYSA-N 346.257 6.482 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@@H]2CC[C@H]1N2C 169370783 QRTMYRXFCOZLFS-GPQLQYNLSA-N 327.512 5.136 0 1 EKAF CO[C@@H]1O[C@@H](OC)[C@@H]2C[C@@H]([C@H](C)CCC=C(C)C)C/C(C)=C/C/C=C/12 238737213 ZGRUAOBBKAMJBH-FSJYKLDCSA-N 348.527 5.633 0 1 EKAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc(Cl)cc1 299845246 VOXVAMKRKWNIEZ-HDAAZOAOSA-N 338.834 5.040 0 1 EKAF Clc1ccccc1Nc1ncnc2ccc(-c3cncs3)cc12 299852670 VZSUHMSVIQXXMK-UHFFFAOYSA-N 338.823 5.150 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)cc1 586879712 IXVSLRNMRYPCDM-UHFFFAOYSA-N 344.389 5.547 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccnc(Cl)c2[nH]1 587050861 RAAYSMOYRCTWCT-SFYZADRCSA-N 338.625 5.189 0 1 EKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 587069914 MBYPYDMMLNSAED-LBPRGKRZSA-N 349.821 5.141 0 1 EKAF Cc1c(-c2cccnc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095996 FDAYWEASPMDDTH-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(F)cc1C3 587104663 UARPLYHOQWAQGS-UHFFFAOYSA-N 337.353 5.157 0 1 EKAF C[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C1CCCCC1 587107134 ORSCLMSBMHPGIM-HNNXBMFYSA-N 341.454 6.130 0 1 EKAF Cc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1F 587241824 IVKYVOYRJUBHAC-UHFFFAOYSA-N 339.414 5.052 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)cc3C)c2c1 587641482 GCPGKZIIJQOXFM-AWEZNQCLSA-N 334.463 5.859 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(CC(C)C)c(-c3cccc(Cl)c3)c2c1 587642303 RBTKDLNSQUUZMD-OAHLLOKOSA-N 339.910 7.200 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1C 587920095 FIMUQRLFONKWQA-UHFFFAOYSA-N 348.471 5.442 0 1 EKAF FC(F)(F)Sc1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587960508 MCQQNCSYTQILIR-JSGCOSHPSA-N 348.393 5.521 0 1 EKAF CC/C(=C/c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(C)cc1 587967625 PFZZTAHQNOITQI-FLIBITNWSA-N 332.234 5.524 0 1 EKAF c1coc(CN2CCc3sccc3[C@@H]2c2ccc(C3CCC3)cc2)c1 962719167 XMGPHWSFODFSHX-QFIPXVFZSA-N 349.499 5.756 0 1 EKAF O=C(c1ccccc1Cl)c1sccc1-c1ccnc(Cl)c1 1857656030 NVBNSGCXLWDPAZ-UHFFFAOYSA-N 334.227 5.348 0 1 EKAF CC[C@@H](CC=CCCC(=O)O)CCCCCC[C@H]1C=C(CO)CC1 2356737387 OQUAFGNAFAEBEL-RTBURBONSA-N 336.516 5.493 0 1 EKAF O=C(O)CCCCCCCC[C@H](O)CCCCCCCCCCO 13485721 RIIQXYZWFWMFSB-LJQANCHMSA-N 344.536 5.056 0 1 EKAF endogenous,in-man FC(F)(F)C(=C(c1ccccc1)c1ccccc1)c1cccs1 28000850 YNVUUADMADNGNJ-UHFFFAOYSA-N 330.374 6.270 0 1 EKAF C[C@H](CNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1)c1ccccc1 82161122 BQFPKGLKIHSBGA-QGZVFWFLSA-N 345.490 5.657 0 1 EKAF C[C@H]1C[C@H](Nc2cc(-c3ccc(F)cc3F)ncn2)CC(C)(C)C1 82162308 BKXGVUMMWRWPTA-JSGCOSHPSA-N 331.410 5.049 0 1 EKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@@]21C 96269540 MYWUKPIEIKSJKB-KJXAQDMKSA-N 333.604 6.687 0 1 EKAF CC1=Nc2ccccc2/C1=C/c1sc(Nc2ccc(C)cc2)nc1O 101814480 AVNFHYUYYYGJPT-LFIBNONCSA-N 347.443 5.547 0 1 EKAF aggregator O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4)cc3)cc12 216012768 FCDBPWNNYLPBHK-UHFFFAOYSA-N 347.801 5.854 0 1 EKAF Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065095 STQZWAAZHAKXRT-UHFFFAOYSA-N 338.794 5.364 0 1 EKAF Clc1ccc2ccn(Cc3nc4ccc5c(c4[nH]3)CCCC5)c2c1 587080673 SJZRCKBJOOFNGA-UHFFFAOYSA-N 335.838 5.098 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3Cc1ccccc1 587207931 OUYRHWWTMXZAJL-MRXNPFEDSA-N 347.417 5.329 0 1 EKAF CCCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1OC 587212047 OCPKUUXKGWPLOO-UHFFFAOYSA-N 333.431 5.188 0 1 EKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(F)cc2)cc1 587634562 KFKVITMOWALLRF-UHFFFAOYSA-N 335.353 5.789 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)OC)c2c1 587642018 LKDYLLAVUNDKHZ-LBPRGKRZSA-N 325.383 5.274 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c([C@H](C)C(=O)O)c2c1 587643762 WKNXQOVIVGXWAR-OLZOCXBDSA-N 339.410 5.676 0 1 EKAF COc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Cl 587967843 JXISGFJKPAOSEY-MDZDMXLPSA-N 334.806 5.549 0 1 EKAF Oc1ccc2c(c1)-c1nc(-c3ccccc3)cc(-c3ccccc3)c1C2 1857618961 WUPPJHLVLOKAQU-UHFFFAOYSA-N 335.406 5.692 0 1 EKAF CCCCCC=CCC=CCCC=CCCC=CCCCC(=O)O 2356451909 WCXBVPYZCHZHFJ-UHFFFAOYSA-N 332.528 6.997 0 1 EKAF CC(C)=CCCC(C)=CCCC[C@@H](C)CCC=C(C)CCC=C(C)C 2356609334 WLPSHRYULRZEIF-XMMPIXPASA-N 344.627 8.958 0 1 EKAF CCCCCC[C@@H](O)CC=CCCCCCCCCCC(=O)O 2356666765 OONXYOAWMIVMCI-LJQANCHMSA-N 326.521 5.860 0 1 EKAF CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c4ccccc4n(C)c23)O1 5011729 XLSIOCJIGPSWIR-XMMPIXPASA-N 345.486 6.551 0 1 EKAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OC 13302654 KEQVPNIOSICVBG-PNLZDCPESA-N 346.511 5.699 0 1 EKAF biogenic CC(C)CCCCCCCCCCCCCc1cc(O)cc(O)c1 14592803 CDHDDXXMZOUNLS-UHFFFAOYSA-N 334.544 6.978 0 1 EKAF biogenic C/C(=C\CCc1ccoc1)C[C@@H](O)C[C@@H](C)CCCc1ccoc1 15222713 SFDYMPBPKHWFDV-VCXDILGASA-N 330.468 5.552 0 1 EKAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC=C2c1cccnc1 26498498 SHEKPCQUIGUFBA-BAMDZGJYSA-N 331.459 5.337 0 1 EKAF CCCSc1ccccc1C[C@@H]1NCCc2c1[nH]c1ccccc21 28889417 YFRIVUKULQQDNN-IBGZPJMESA-N 336.504 5.100 0 1 EKAF Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C2CCCC2)cc1 40900123 IKJBPSXJGZPQKF-UHFFFAOYSA-N 349.236 6.264 0 1 EKAF CCN(CC)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 169306820 RPXBMGDKHURKGL-UHFFFAOYSA-N 325.843 5.478 0 1 EKAF Oc1cc2c3c(c1)c(C(F)(F)F)c(CCc1ccccc1)n3CCC2 205795872 DMFJQYGSFVOAGV-UHFFFAOYSA-N 345.364 5.097 0 1 EKAF COc1cccc(-c2ccc(-c3nc4ccc(C)nc4[nH]3)c(Cl)c2)c1 587052012 JQYOUOSCXWELQO-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF COc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1C 587073321 BOQCCTXVZCPZRJ-UHFFFAOYSA-N 326.827 5.003 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cnc3ccccc3c2[nH]1 587170531 CAXXTSZQSCSGHF-LBPRGKRZSA-N 337.423 5.146 0 1 EKAF Cc1cc(C)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207795 WEOBSDCRNSPULK-UHFFFAOYSA-N 335.406 5.730 0 1 EKAF C[C@@H](Cc1ccccc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524521 OASQOSOHQQMFGT-QMHKHESXSA-N 334.459 5.168 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C)c2c1 587642139 PFJUMOOWGQRKJL-AWEZNQCLSA-N 339.910 7.299 0 1 EKAF CCC(CC)(CC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818776 JLQRIACTWYVTJT-BZNIZROVSA-N 342.296 5.380 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587952403 QHOHYWYMVUSSON-ALKREAHSSA-N 328.500 5.907 0 1 EKAF C[C@]1(Cc2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962672361 XBIVAYJGDKCMDW-HSZRJFAPSA-N 331.434 5.096 0 1 EKAF CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)cc(CCc5ccccc5)c4[C@@H]1[C@@H]23 1857579957 HEHNRIJVSOOMII-UCIDMZFESA-N 348.486 5.478 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C 2356376408 RLSZLHWSJHPNCK-UNMCSNQZSA-N 342.479 5.406 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C/CCC(=O)O 27643190 ZHBVYDMSPDDAKE-PPYBYVIMSA-N 344.495 5.520 0 1 EKAF in-man Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cncnc2)cc1 28766095 KDFBFPOGRBLGMY-UHFFFAOYSA-N 349.648 5.314 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ccc(-c2ccco2)nn1 40829640 QZFCVTYVVLYVEU-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF CCC[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587101416 SSLSKOHANHCIFH-HNNXBMFYSA-N 341.454 5.660 0 1 EKAF CCc1ccc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2c1 587233639 UXFCURKJLIWVSJ-UHFFFAOYSA-N 327.431 5.501 0 1 EKAF O=C(c1cc(F)ccc1C(F)(F)F)c1coc2ccc(Cl)cc12 587278514 PFQHTHCFXQUCLN-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF O=C(c1coc2ccccc12)C(Cl)(c1ccccc1)c1ccccc1 587281024 PVJOHOMIBIORPS-UHFFFAOYSA-N 346.813 5.798 0 1 EKAF COc1cccc(-c2cc(-c3cc[nH]c3)nc3c2oc2ccccc23)c1 587364240 ZBXXPQPAYGYMFN-UHFFFAOYSA-N 340.382 5.652 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cc(C)cc1C)CC2=O 587478511 BXQDKYLJTYTNCH-JOCHJYFZSA-N 338.447 5.151 0 1 EKAF CCO[C@@H](C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2N)cc1 587631188 IUKKZWOCDSZQAK-JTQLQIEISA-N 332.806 5.307 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(CC(=O)O)c2c1 587641821 KEJMLLFLTBXSCO-LLVKDONJSA-N 343.373 5.254 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccncc3)c2c1 587644133 NQBKWWBQJJKTGR-MRXNPFEDSA-N 326.443 6.410 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587966305 BUFLCKPERXPUES-XFFZJAGNSA-N 342.792 6.385 0 1 EKAF C(=C/c1ccc(-c2ccccc2)s1)\c1nnc(-c2ccccc2)o1 653793219 LRJCDIDFVOEYCW-WYMLVPIESA-N 330.412 5.636 0 1 EKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@H](C)CC(=O)O 2356597308 CMLJLKAJEBCZCF-IBGZPJMESA-N 332.484 6.166 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CCc3cc(C(C)C)c(O)cc3[C@]2(C)C1 2356875864 ZTRHRDVSZYCIJZ-BUVFEPMLSA-N 344.495 5.087 0 1 EKAF c1ccc(CN2CC[C@H]3C[C@H]2c2cc(N4CCCCC4)ccc23)cc1 263591377 YZLYCEZITBWPEY-CVDCTZTESA-N 332.491 5.111 0 3 EKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccccc2)n2ccnc2)cc1 5974694 OGHJQKFISFQGPS-HXUWFJFHSA-N 333.822 5.169 0 1 EKAF CN1CCC(C2=C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 13833070 MVRLLCOTIWCMOM-IBGZPJMESA-N 341.857 5.350 0 1 EKAF CCOC(=O)CCCCCCCCCCCCCc1ccccc1 14652404 DRNJDGADSVZURB-UHFFFAOYSA-N 332.528 6.473 0 1 EKAF biogenic CC(=O)N1Cc2ccccc2CSc2c1ccc(Cl)c2Cl 28571736 GWVHEALEBNJKJJ-UHFFFAOYSA-N 338.259 5.152 0 1 EKAF Ic1c(-c2ccccc2)sc2ccccc12 66259286 VKWCJRHRCYLJRR-UHFFFAOYSA-N 336.197 5.173 0 1 EKAF Cc1ccc(CNCc2coc(-c3cccc4ccccc34)n2)cc1 72101939 QIMZZHJINUGDFO-UHFFFAOYSA-N 328.415 5.093 0 1 EKAF Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 100834281 PPFYUSNKVHPQHA-ZBYYUNFXSA-N 335.491 5.035 0 1 EKAF CCC[C@H](C)C[C@H](C)/C=C(C)\C=C(\C)c1oc(=O)c(C)c(O)c1C 238754631 SAHYKMIMGJKBCR-GDIQWMRCSA-N 332.484 5.774 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(N)c1 587104406 RAKQATGIHZPBFO-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF Cc1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1Cl 587152656 BYVLXFOHWINDHZ-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF CC[C@H](C)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208388 VERHBBYHVLNZNL-KBPBESRZSA-N 327.427 5.522 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]3CCCC[C@@H]31)CC2=O 587483313 QBYCMUMEJFCUPM-FNXXIHLHSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cccs1)CC2=O 587495881 VGFUHHNMJWUPHL-LJQANCHMSA-N 330.449 5.067 0 1 EKAF CCCc1ccc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525254 RIEVJPFFFKXDKS-XMMPIXPASA-N 348.486 5.789 0 1 EKAF Cc1cccc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587527706 VQUQEUCNCPZPLC-QHCPKHFHSA-N 345.442 5.236 0 1 EKAF COc1ccc2cc(-c3nc(-c4ccc(C)c(C)c4)cs3)ccc2c1 587920891 PUVUNQZWIILBEW-UHFFFAOYSA-N 345.467 6.256 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C1 587968955 JIGRYIZRFCTQAH-GHMZBOCLSA-N 326.362 5.391 0 1 EKAF Cc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653757423 WBUYKLPWXGXXBB-HXUWFJFHSA-N 329.447 5.250 0 1 EKAF CCCN1[C@H](c2csc(Cl)c2Cl)c2ccccc2C[C@H]1C 963222722 CHHRRRVPWAWIOT-BZNIZROVSA-N 340.319 5.801 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1772599417 ZHDLEFUWWZMTQD-ATGDVCBYSA-N 329.572 5.906 0 1 EKAF COc1ccc(-c2nc(-c3ccccc3)cn2-c2ccccc2)cc1 1772613309 RAVXRELGFKHKBJ-UHFFFAOYSA-N 326.399 5.215 0 1 EKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/CN)C(C)(C)C[C@H](O)C1 1857591681 USENAIFUGPTHIQ-UWYNECTCSA-N 327.512 5.004 0 1 EKAF CCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 2356436346 JBDHOPIBEWESIO-LWYYNNOASA-N 340.548 5.900 0 1 EKAF CCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21 1541361 PYKUTRHZEJHOFS-UHFFFAOYSA-N 330.516 5.231 0 1 EKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)C(=O)O 5758656 CGKMKXBKVBXUGK-MKXGPGLRSA-N 328.537 5.507 0 1 EKAF in-vitro CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CC 13679547 CCBPBZSPLSJBNV-GKFVBPDJSA-N 345.571 6.658 0 1 EKAF Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043581 KAFURNBTIHQXCB-CYBMUJFWSA-N 338.882 6.494 0 1 EKAF c1ccc(Oc2ccc(SCCO[C@H]3CCCCO3)cc2)cc1 29486256 UZIXDWFVHWJXQT-IBGZPJMESA-N 330.449 5.114 0 1 EKAF Clc1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1 40898474 LCCNYBSALOJRNR-UHFFFAOYSA-N 331.246 6.125 0 1 EKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)[nH]1 40953317 OOECCDQCTXCCEX-UHFFFAOYSA-N 335.407 5.153 0 1 EKAF O=C(OCCC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 82086396 WVLUDPAWYRKHDM-UHFFFAOYSA-N 349.883 5.591 0 1 EKAF CCc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2)s1 95582986 XAKVCCNKFODRRJ-HXUWFJFHSA-N 348.471 5.106 0 1 EKAF CC(/C=C/C[C@](C)(O)/C=C/Cc1ccoc1)=C\CCc1ccoc1 140148853 IYMLKVYDGVNSLE-GUEBTTAMSA-N 326.436 5.248 0 1 EKAF C/C=C/COc1cccc2c1-c1cccc3c1[C@H](C2)N(CCC)CC3 209433681 VRGMZUXQIPKQOS-GECPCNCSSA-N 333.475 5.174 0 1 EKAF in-vitro Cc1nc(-c2c[nH]cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cs1 587022575 ZSXKWGCXIGTZGA-UHFFFAOYSA-N 348.353 5.009 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(C)C)CC4)-c1ccccc1C2=O 587101756 VOSBAGMTTNXHMO-HNNXBMFYSA-N 341.454 5.516 0 1 EKAF FC(F)(F)Oc1cc(Cl)cc(-c2cc3c4c(cccc4n2)CC3)c1 587210048 CBXHGUGRNPMZLU-UHFFFAOYSA-N 349.739 5.552 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccsc3)c1)O2 587412746 KRCAZUSYEGEKMA-LJQANCHMSA-N 335.428 5.012 0 1 EKAF Cc1cc(Cl)cc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 587565430 AGKIPZRRLAGPKS-UHFFFAOYSA-N 344.842 5.139 0 1 EKAF CCc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782202 IMNZAZQMYIMWAU-UHFFFAOYSA-N 344.414 5.077 0 1 EKAF CCCN1[C@H](c2ccc(Cc3ccccc3)[nH]2)c2ccccc2C[C@H]1C 963245089 ZDTWYMYSLJREAR-KOSHJBKYSA-N 344.502 5.352 0 1 EKAF COc1ccc(C=CCCO[C@]2(C)CC[C@@]3(C(C)C)C[C@H]32)cc1OC 2356600623 RNAXNNLWEJACQM-BDTNDASRSA-N 344.495 5.339 0 1 EKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCC(=O)OCC 2356686175 VPHFTRIAHMFYGR-NRFANRHFSA-N 346.511 5.442 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CC(=O)O 2356697986 ZPVMUDKNKQSFJZ-NLWGTHIKSA-N 328.537 5.651 0 1 EKAF Clc1cccc(Cc2c(-c3ccco3)nc3ccc(Cl)cn23)c1 72137807 BRIXXSCSWZQOIJ-UHFFFAOYSA-N 343.213 5.492 0 3 EKAF C(=C/c1nc(NCc2ccccc2)c2ccccc2n1)\c1ccccc1 13743197 LLNNYTMYQXNQNA-FOCLMDBBSA-N 337.426 5.412 0 1 EKAF CC(=N)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 28004307 WTEFYMAOZAQANG-UHFFFAOYSA-N 346.430 5.254 0 1 EKAF Fc1ccc(-c2nc(SC(F)F)[nH]c2-c2ccc(F)cc2)cc1 28220522 QJEDPMOEIBONLK-UHFFFAOYSA-N 338.329 5.337 0 1 EKAF COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1 36248248 LYYXIMJVXJKHNW-UHFFFAOYSA-N 348.442 5.068 0 1 EKAF CNCCSC1=Cc2ccccc2Sc2ccc(Cl)cc21 39291701 LPJMGCSJWIYZBP-UHFFFAOYSA-N 333.909 5.255 0 1 EKAF CSc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1 40641468 SJGABECCXVNYOE-UHFFFAOYSA-N 335.259 5.772 0 1 EKAF CCCNC(=O)CCCC/C=C\CCCCCCCCCC(=O)O 72110780 VUIUYXAJEPECPL-VURMDHGXSA-N 339.520 5.225 0 1 EKAF Clc1cc(Cl)cc(-c2c(-c3ccccc3)nc3ccccn23)c1 95578887 PLKJEJQFKGXBRG-UHFFFAOYSA-N 339.225 5.975 0 1 EKAF Cc1ccc2c(NCc3ccccc3)nc(-c3cccs3)cc2c1 169353971 QGRCLLYNPSBNLI-UHFFFAOYSA-N 330.456 5.884 0 1 EKAF OCCCCCCCCCCCc1nc2cnc3ccccc3c2[nH]1 586894697 REHOXMQLZSZJTD-UHFFFAOYSA-N 339.483 5.157 0 1 EKAF CC(C)c1cc(-c2nc3cnc4ccccc4c3[nH]2)c(O)c(C(C)C)c1 586896602 OTTGIABLMPZFLD-UHFFFAOYSA-N 345.446 5.731 0 1 EKAF Cc1cc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c(C)n1 587063744 ZZZMIRBJUSKDRK-UHFFFAOYSA-N 347.849 5.486 0 1 EKAF FC(F)(F)c1cccc([C@H]2CCc3c2nc2cccc4c2c3CC4)c1 587210700 VYKRDCROTHJNGG-OAHLLOKOSA-N 339.360 5.430 0 1 EKAF CCC[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521138 CVNFJOHAUPARMF-QHCPKHFHSA-N 334.459 5.312 0 1 EKAF O=C1C[C@@H](C[C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587524228 LJFNHUGKNDGENO-RTBURBONSA-N 346.470 5.409 0 1 EKAF O=C1C[C@]2(CCc3sc(Cl)cc32)Oc2c1ccc1c2CCCC1 587536523 VUMSTUFZSLLDAN-IBGZPJMESA-N 344.863 5.087 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)Br)c2c1 587643315 ZQUZTIXDXOTCOT-MRVPVSSYSA-N 344.199 5.160 0 1 EKAF COC(=O)C1=CCC[C@@H]2C(=CC[C@H](C)[C@@]2(C)CCc2ccoc2)C1 2356416732 CZVZMXDHIOAILF-NYSBEXSLSA-N 328.452 5.084 0 1 EKAF CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1Cl 26376031 MECGXJPPAGNHGO-SDNWHVSQSA-N 332.827 5.518 0 1 EKAF Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)c(F)c1 26646138 QGJRDYNVFPBAJM-UHFFFAOYSA-N 332.353 5.689 0 1 EKAF CCCCCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 28863686 ZWEXCFHQOXSQKR-UHFFFAOYSA-N 330.431 5.340 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(C3CCCCC3)cc21 144733905 KOWBWHUEZOGAAG-LJQANCHMSA-N 332.365 5.513 0 1 EKAF C(=C/c1n[nH]c2cc(Sc3ccccc3)ccc12)\c1ccccc1 166884503 DKHVKMQAOLEJKJ-SDNWHVSQSA-N 328.440 5.885 0 1 EKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023851 QLLIZUSDWIBKMQ-UHFFFAOYSA-N 335.816 5.207 0 1 EKAF Cc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Cl 587077339 RXAHEFRBSTXPPX-UHFFFAOYSA-N 331.246 5.648 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C1CCCC1)CC3 587208176 QXISMVPBIKARDZ-HNNXBMFYSA-N 339.438 5.666 0 1 EKAF CCCCCC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587404007 SVSGHGWSXOUWOL-JOCHJYFZSA-N 337.463 5.408 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccs3)[nH]c12 587623873 AVZLFVAGMSUMKU-UHFFFAOYSA-N 343.757 5.603 0 1 EKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCCCc1ccccc1 1857620244 NIIRFARKSSJRKF-JOCHJYFZSA-N 332.491 5.466 0 1 EKAF CCC[C@H](C)C[C@H](C)C=C(C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356484389 SAHYKMIMGJKBCR-KBPBESRZSA-N 332.484 5.774 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2cc(C)cc(O)c2C[C@@H]1O 2356496798 OELJEAVRDMYCHY-VXKWHMMOSA-N 344.495 5.228 0 1 EKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356629312 ZLSUFAROARWHAD-YPVJZLTNSA-N 344.495 5.554 0 1 EKAF CC(C)=CC=C[C@@]1(C)CCc2c(O)cc(C)c(CC=C(C)C)c2O1 2356656381 UANZUGFDTSFCAF-QFIPXVFZSA-N 326.480 5.815 0 1 EKAF O=C(N[C@H](CC1=CCCCC1)c1ccc2ccccc2c1)C(F)(F)F 36381923 IFYJTUGKEINYEM-GOSISDBHSA-N 347.380 5.450 0 3 EKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 13302671 CZEPBGSMIRTHKN-IERDGZPVSA-N 330.468 5.195 0 1 EKAF biogenic CCC1=N[C@@H](c2ccccc2)c2ccccc2[C@H](c2ccccc2)N1C 13600366 CKNBSYUQDPSTTN-ZEQRLZLVSA-N 340.470 5.619 0 1 EKAF CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C 13740177 HOZLVWGBFHBKCK-AVRDEDQJSA-N 349.518 5.458 0 1 EKAF C[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1C(F)(F)F 587097814 KUYPDPKTHSUCKE-GFCCVEGCSA-N 344.380 5.612 0 1 EKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)c1F 587152544 PQIDPRJFKOIGFN-NXEZZACHSA-N 339.172 5.419 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C\C3CCCCC3)nc3cccc1c23 587206549 NNFHGPBVGOXXNB-YPKPFQOOSA-N 339.438 6.040 0 1 EKAF COc1cccc(-c2cc(/C=C\C(C)C)nc3c2oc2ccccc23)c1 587364450 AEZMSZHGBUOADV-QXMHVHEDSA-N 343.426 6.326 0 1 EKAF Cc1cc(C)c(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508568 RZLOGZPQPWXXEG-IBGZPJMESA-N 340.850 5.542 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cc1C 587625043 ZYBMXYNJJIQWQN-UHFFFAOYSA-N 347.792 5.861 0 1 EKAF CCc1ccccc1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631565 PAQBWQSSQIWFLG-UHFFFAOYSA-N 330.790 5.084 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)OC)c2c1 587642163 PVLAFIPGZFUNQB-MRVPVSSYSA-N 349.299 5.122 0 1 EKAF CCC[C@H](C)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812145 ILPSJWDTWRBTPB-NVGCLXPQSA-N 342.296 5.164 0 1 EKAF CC[C@@]1(c2c(Cl)cccc2Cl)NCCc2c1sc(C)c2C 963022996 KXPNBSGPYNTQNC-KRWDZBQOSA-N 340.319 5.471 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)[C@H]1C[C@@H]1c1ccc(OC)cc1 963245099 ZFGBLMRJFRKNAK-ZHIIOGTKSA-N 349.518 5.371 0 1 EKAF C[C@H](O)C=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356413711 IXAMNXQQWDOFMN-NRFANRHFSA-N 344.495 5.520 0 1 EKAF CCCN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13835797 NNNDXILSDZTFTR-LPHOPBHVSA-N 334.290 5.912 0 1 EKAF CC(=O)OC/C=C(\C)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C 39052078 OSIWGYVBAGGXDY-XWXCYMCXSA-N 348.527 5.047 0 1 EKAF Cc1occ2c1-c1ccccc1C(=C1CCN(C)CC1)c1ccccc1-2 39215292 ZHSOHJFZYPTQPN-UHFFFAOYSA-N 341.454 5.763 0 1 EKAF COc1ccc(OC)c(NCCCCCCCCCCCCO)c1 40763988 GKDDWVSDYUOIAT-UHFFFAOYSA-N 337.504 5.009 0 1 EKAF CN1C(c2ccccc2)=Nc2ccccc2C[C@H]1c1ccc(Cl)cc1 49639738 FGCYFIUERHLCCY-NRFANRHFSA-N 346.861 5.648 0 1 EKAF O[C@H](c1ccccc1)c1nc2ccc(F)cc2cc1-c1ccc(F)cc1 169312335 YUEMTRQSSBNQHX-JOCHJYFZSA-N 347.364 5.262 0 1 EKAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)OC 219654814 UXMIJODNYUZSNX-ZVOTYKBISA-N 334.500 5.276 0 1 EKAF CO[C@@](C)(CC/C=C(/C)Cc1cc(C)co1)[C@@H]1Cc2ccccc2O1 238785860 XMEKRGPWDVRQKA-OJGMGQERSA-N 340.463 5.266 0 1 EKAF O=C(Nc1nccs1)c1cccc(-c2ccc3ccccc3c2)c1 299840628 VSURMDLUWJGMPH-UHFFFAOYSA-N 330.412 5.216 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H](CC(C)C)C4)-c1ccccc1C2=O 587100426 JQTOOGVIJDLNIR-OAHLLOKOSA-N 341.454 5.516 0 1 EKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCCCCC2)N1 587819470 IHHIASSUNPALNC-DIFFPNOSSA-N 340.280 5.134 0 1 EKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2[nH]ccc2c1 1772615969 IORCQVKKVSUXQH-NSCUHMNNSA-N 344.380 5.332 0 1 EKAF CC=C(C)[C@@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 2356787676 BPCJATNZUJNOJC-DYESRHJHSA-N 328.452 5.012 0 1 EKAF Fc1ccc2c(c1)nc1n2[C@H](c2c(Cl)cccc2Cl)SC1 5544183 DVFPFDHTFCJOTK-HNNXBMFYSA-N 339.222 5.276 0 1 EKAF CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c1O 13435727 NQYBQBZOHCACCR-UHFFFAOYSA-N 346.467 5.050 0 1 EKAF endogenous,in-man CCCCOc1ccc([C@@H](CCCC(=O)O)c2ccccc2)cc1 14978911 HTVPLQMOVLZBMT-FQEVSTJZSA-N 326.436 5.252 0 1 EKAF CC(C)c1ccc(O[C@](C)(Cc2ccc3ccccc3c2)C(=O)O)cc1 27525718 SYUHLJGOEOJTMZ-HSZRJFAPSA-N 348.442 5.428 0 1 EKAF Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 28972813 MIJSDLWKDQTMIZ-UHFFFAOYSA-N 325.795 5.185 0 1 EKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](/C=C/c3ccccc3C(=O)O)CCC[C@@H]12 29388706 LNLSVAZYFBDZJU-YDKHKVQQSA-N 342.479 5.002 0 1 EKAF C/C(=C\Cl)C/C=C/C=C/C(=O)N[C@@H](C)/C=C\CC/C=C/Cl 200955969 VOWNHWSVEUWZQX-HUVZLFSQSA-N 328.283 5.225 0 1 EKAF CN(Cc1ccccc1)c1ccc2nc(-c3ccc(Cl)cc3)oc2n1 205324455 DWYNULNUNUELGZ-UHFFFAOYSA-N 349.821 5.180 0 1 EKAF O=[S@](c1ccccc1)c1cc(-c2cccnc2)cc2ccccc12 299818893 AODDDEBCJBZKFJ-XMMPIXPASA-N 329.424 5.069 0 1 EKAF Clc1cc(Cl)cc(CCc2nc3cc4ccccc4cc3[nH]2)c1 299871616 YWZPHTDBMKKEBD-UHFFFAOYSA-N 341.241 5.808 0 1 EKAF CCc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1CC 586881271 VIJWOCULQQPFPB-UHFFFAOYSA-N 343.268 5.426 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccc(OC(F)F)cc3)c2c1 587641852 KJIJXXFERWQEQB-ZDUSSCGKSA-N 343.417 6.182 0 1 EKAF Cc1cc(C)n(C[C@@H](C)c2nc(-c3ccc(C)c(C)c3)cs2)n1 587921088 ROSFNVDSYROMEK-CQSZACIVSA-N 325.481 5.044 0 1 EKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)c(F)cc4[nH]3)c2)c1 587933121 KHOBQQOXQRGMKY-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)CCC[C@@H]2C 2356387372 QQAWVLSYYFBHKY-ZDUSSCGKSA-N 342.435 5.199 0 1 EKAF CC(C)=CCCC(C)=CCC=C1CO[C@@H](c2cc(O)ccc2O)C1 2356845921 OITSMBXSRGHZRF-OAQYLSRUSA-N 328.452 5.568 0 1 EKAF CC(C)(C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 28330725 PHWAQCJKEIKNQE-UHFFFAOYSA-N 338.838 5.084 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H]1CC/C=C(\C)CC[C@@H]2[C@H](C)CCC=C(C)C 40689005 SOAIWELMVRCOAD-VARFCQQNSA-N 346.511 5.252 0 1 EKAF CC(C)=CC[C@H]1C[C@@H](CC=C(C)C)C(C)(C)[C@@H](C(=O)C(C)C)C1=O 40937947 RSIDASPVNMMKMN-OTWHNJEPSA-N 332.528 5.772 0 1 EKAF biogenic,in-vitro O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 66114390 RJIGUHHUXAXYRM-UHFFFAOYSA-N 348.398 5.075 0 1 EKAF COc1ccc(CS/C=C/CSCc2ccc(OC)cc2)cc1 73197639 DCJPURSQPPRYKG-KGVSQERTSA-N 346.517 5.384 0 1 EKAF CO[C@@]12CC[C@]3(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]3C1=CC(=O)O2 86002331 FCFUSYHGZLEMJM-ZXQNLUGLSA-N 346.511 5.123 0 1 EKAF in-man CC(=O)O[C@]1(C)CC/C=C(/C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 198780927 BYNSHSWWZXSBTC-BMYWQNLFSA-N 346.511 5.060 0 1 EKAF FC(F)(F)c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1 299862444 MZWHNGPXADHQGB-UHFFFAOYSA-N 343.348 5.389 0 1 EKAF Clc1cc(Cl)cc(-c2nc(-c3nc4ccccc4[nH]3)cs2)c1 587015210 GQCYNUJCFQGTKY-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF CC1=CC[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587099502 LHRJRPWVVANLFI-MRXNPFEDSA-N 339.438 5.968 0 1 EKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3F)nc3cccc1c23 587104453 VCERQFPMDIVILJ-UHFFFAOYSA-N 343.332 5.391 0 1 EKAF Cc1c(F)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587132644 HAPZJAGQZGPBIJ-UHFFFAOYSA-N 346.686 5.489 0 1 EKAF CC(C)Oc1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171745 RXPMWVNUUBOUEB-ZDUSSCGKSA-N 344.455 5.385 0 1 EKAF CCC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351402 GLNQEOPULPNEFB-NQZBTDCJSA-N 342.410 5.085 0 1 EKAF CC(C)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523785 PPMPVGMEVAXPDU-NRFANRHFSA-N 336.431 5.059 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(C(F)(F)F)cc3)c2c1 587642475 NWWJZGLULQUCPF-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1 587859984 KPBCBGWNWQLZAB-UHFFFAOYSA-N 333.218 5.245 0 1 EKAF CC1(C)CCC(Cc2nc3cc(F)cc(Br)c3[nH]2)CC1 587963677 QCXMIOCVMKFPTO-UHFFFAOYSA-N 339.252 5.223 0 1 EKAF CC(=O)OCC1=CC[C@H]2CC[C@@](C)(O)[C@@H](CCC(C)=CCC1)C2(C)C 2356436512 ONBYNDRDNDICPR-JAXLGGSGSA-N 348.527 5.190 0 1 EKAF Cc1ccccc1O[C@@]1(C)CCN(Cc2ccc3ccccc3c2)C1 61926943 HYIMMUVGGRTWMN-QHCPKHFHSA-N 331.459 5.192 0 3 EKAF CC[C@@H](C)n1c(SCc2cccc(C)c2)nc2ccsc2c1=O 2925305 LNCILTZREZAQPL-CYBMUJFWSA-N 344.505 5.030 0 1 EKAF O=C(C[C@H](C(=O)c1ccc(F)cc1)c1ccsc1)c1cccs1 6513105 SIFSFCWTJLQYKJ-HNNXBMFYSA-N 344.432 5.188 0 1 EKAF CCOc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1OC 6671453 OGZWDZNKDRBMIO-UHFFFAOYSA-N 347.386 5.163 0 1 EKAF CC(C)N(CCC1=C([C@@H](C)c2ccccn2)c2ccccc2C1)C(C)C 13493478 HBRHULDGKNIFGB-IBGZPJMESA-N 348.534 5.704 0 1 EKAF CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 40900352 DRIJYOJIDRJOIY-KRWDZBQOSA-N 347.245 5.081 0 1 EKAF Fc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 95558473 TVEOYNAPJWRTLM-UHFFFAOYSA-N 349.228 5.455 0 1 EKAF Cc1ccc(-c2c[nH]c(CNc3ccnc4cc(Cl)ccc34)n2)cc1 95562031 MRPQZBSRTQJOIS-UHFFFAOYSA-N 348.837 5.199 0 1 EKAF Fc1cccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)c1 95563683 JZHUAEMEPCQAFH-UHFFFAOYSA-N 339.439 5.293 0 1 EKAF Cc1nccn1[C@@H](c1ccccc1)c1ccc2oc3ccccc3c2c1 96914432 HQHYZXLDXURGDA-QHCPKHFHSA-N 338.410 5.729 0 1 EKAF Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 166860141 QBTWWQWTEDHWIM-FMIVXFBMSA-N 327.387 5.108 0 1 EKAF CCc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016423 VRLNHHJJEKNDHD-UHFFFAOYSA-N 339.851 5.569 0 1 EKAF Cc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br 587148048 FGOWMAQGEYUITQ-HWKANZROSA-N 349.178 5.082 0 1 EKAF CCc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164461 REUDZFHNHNZQOL-SFQUDFHCSA-N 348.446 5.915 0 1 EKAF CC(C)(C)SCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209665 RSNGAKMGESEWPN-UHFFFAOYSA-N 333.456 5.478 0 1 EKAF CCCC[C@@H](O)[C@]1(CCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587530862 VZAUARMAYSKRAM-IRLDBZIGSA-N 344.495 5.011 0 1 EKAF CCC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532650 RIOSAXXUWKRTES-FQEVSTJZSA-N 326.461 5.288 0 1 EKAF COc1ccccc1-c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587930791 GJUFSAQVUMZFEA-UHFFFAOYSA-N 346.455 5.627 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)cc(F)c2[nH]1 587968780 UBYWWXIRJIDLIL-XFFZJAGNSA-N 337.236 5.614 0 1 EKAF Cc1ccc(-c2ccc([C@]3(C)NCCc4ccc(F)c(C)c43)cc2)cc1 962085881 AYVIHNODEXKMPJ-DEOSSOPVSA-N 345.461 5.519 0 1 EKAF CO[C@@H]1CC=C(C)CCC=C(C)CC[C@H]2[C@@H](C=C1C(=O)O)C2(C)C 2356418044 VWXXNOHWGGYBTR-IPMKNSEASA-N 332.484 5.141 0 1 EKAF Clc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5933287 KIMRUNRURFQECR-UHFFFAOYSA-N 346.044 5.698 0 1 EKAF CCCN(CCC)[C@@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@@H]1C 13740176 HOZLVWGBFHBKCK-XMSQKQJNSA-N 349.518 5.458 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCS2 13832717 IHZBEOZNOCNBRM-WYMLVPIESA-N 338.472 5.719 0 1 EKAF CCCCC[C@@H](O)/C=C/C=C/CCCCCCCCCCC(=O)O 26578690 QOMAELQQSFUYDS-OFPQMIPSSA-N 338.532 6.026 0 1 EKAF CCCC[P@@](=O)(OCC)OCc1cccc(Oc2ccccc2)c1 27108799 HLAIKZZXNZXXOQ-XMMPIXPASA-N 348.379 6.025 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@](C)(O)c1ccc(C(F)(F)F)cc1 49053608 RPVCQZSJQDWNFE-RIBQSRIRSA-N 338.413 5.852 0 1 EKAF O=C(OCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 103231519 GDPCONKCMTWAEN-UHFFFAOYSA-N 327.383 5.645 0 1 EKAF CC[C@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989973 HEMSZEYTTKWONH-HSZRJFAPSA-N 343.426 5.057 0 1 EKAF c1cc(-c2ccsc2)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587027631 YBESRFAJMDUZEP-UHFFFAOYSA-N 330.456 5.837 0 1 EKAF CCCCC(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099157 CCFRUEGUMOLBND-UHFFFAOYSA-N 329.399 5.128 0 1 EKAF Cc1ccc2c3c(c(C(C)C)c(CC(C)C)nc13)-c1ccccc1C2=O 587099457 JIQZGIMAQBXNFX-UHFFFAOYSA-N 343.470 6.077 0 1 EKAF CC(C)(C)c1cccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c12 587258370 IZBPHVMUGNFBMJ-IBGZPJMESA-N 343.474 5.256 0 1 EKAF CCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357171 TXRIPSNSERAJEA-FPOVZHCZSA-N 342.410 5.229 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CC[C@@H]1C(C)C 587480398 JWGGWKZNOXMLBD-OXTHUFEASA-N 330.468 5.141 0 1 EKAF C[C@]1(c2ccc(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500799 DBBIKBSIUXTQAE-HXUWFJFHSA-N 344.813 5.239 0 1 EKAF CC(C)COc1cccc(OCc2nc3cc4ccccc4cc3[nH]2)c1 587566177 ZGCZDQRWVXHURZ-UHFFFAOYSA-N 346.430 5.330 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 587782556 PRFKUPNKORCLCI-UHFFFAOYSA-N 344.414 5.131 0 1 EKAF CCc1c([C@]2(C)NCCc3c2sc(C)c3C)oc2ccc(C)cc12 963025748 OVLWKLFMGNIZHY-NRFANRHFSA-N 339.504 5.391 0 1 EKAF C1=C(c2ccc(-c3ccccc3)cc2)N2CCCN=C2c2ccccc21 13555252 DJTOSWBHHZXXJR-UHFFFAOYSA-N 336.438 5.318 0 1 EKAF C[C@]12CCCC[C@@]1(c1cccc(O)c1)CCN(CCc1ccccc1)C2 13677948 MNOBCLUQTZBJEW-RPWUZVMVSA-N 349.518 5.159 0 1 EKAF CCCN(CCC)[C@@H]1CCc2cccc(C(=O)C3CCCCC3)c2C1 28763211 XHDDGPAXYUVBDO-HXUWFJFHSA-N 341.539 5.429 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1 140187953 NDFDRQHQRCDSBQ-YSZGTQNGSA-N 332.528 6.528 0 1 EKAF CO[C@]12CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C1=CC(=O)O2 204901783 FCFUSYHGZLEMJM-GXLUMBJHSA-N 346.511 5.123 0 1 EKAF CO[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2ccc(C(C)C)cc21 213847225 YAHULLSOKYPUCD-KOUHRCEDSA-N 330.468 5.050 0 1 EKAF FC(F)(F)c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028329 RQVVZQSJYHNXFI-UHFFFAOYSA-N 345.349 5.372 0 1 EKAF CC(C)(C)c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138851 SZOXFMTZESGCRV-UHFFFAOYSA-N 332.369 5.063 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(CC)c1)CC2=O 587458775 FKXGNKPUKWWZGN-LJQANCHMSA-N 344.838 5.267 0 1 EKAF CO[C@@H]1OC2(CCC(N(C)CC3CCCCC3)CC2)c2ccccc21 1857562872 UPNXBNHFBWGINS-NFOQDIRWSA-N 343.511 5.012 0 1 EKAF O=C(c1ccccc1Cl)c1sccc1-c1cccc2ccccc12 1857772938 OYCQSCPHBYKGHN-UHFFFAOYSA-N 348.854 6.453 0 1 EKAF COc1ccc2c(c1)C[C@]1(C)[C@H](C)CC[C@@H]3C(C)(C)CCC[C@@]31O2 2356332492 GFZLFKCEWJJEFW-BDRMCPCVSA-N 328.496 5.631 0 1 EKAF CC(=O)O[C@]12CC=C3C=C(C(C)C)CC[C@H]3[C@@]1(C)CCCC2(C)C 2356410750 QXGOVOYQEWWNSG-FCEUIQTBSA-N 330.512 5.827 0 1 EKAF CCC=CCC=CCC=CCC=CCCCCCCCCC(=O)OC 2356695209 XKZIJJIPQXQYBG-UHFFFAOYSA-N 346.555 7.085 0 1 EKAF c1csc(-c2cc(-c3cccs3)c(-c3cccs3)s2)c1 1636200 DCPXRPFZUQQHBW-UHFFFAOYSA-N 330.524 6.934 0 1 EKAF CCCCCC[C@H](C)CCCCCCCCCOC[C@H](O)CO 15261820 MUFIFXIVKHSXDD-VQTJNVASSA-N 330.553 5.084 0 1 EKAF biogenic O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccn2)cc1 28354270 RKWQBGOLYFZODW-UHFFFAOYSA-N 342.320 5.020 0 1 EKAF c1ccc(CSc2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 95755258 AQZORZQAGLYVPI-UHFFFAOYSA-N 344.439 5.696 0 1 EKAF Clc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 96911339 RIFSEFZODCMOQY-UHFFFAOYSA-N 329.856 5.002 0 1 EKAF CC1=CCC[C@]2(C)[C@@H]1CC=C1[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]12C 146481939 WSTYWRUYINIIGZ-PKNAXVLMSA-N 326.568 7.168 0 1 EKAF Oc1cccc(CCCCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586896749 WZFPDRWPCFNAAX-UHFFFAOYSA-N 335.234 5.141 0 1 EKAF C[C@H]1CCc2sc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2C1 587033162 FWFUUUBWDZCKJH-VIFPVBQESA-N 336.382 5.435 0 1 EKAF Clc1cccc(/C=C\c2nc3cnc4ccccc4c3[nH]2)c1Cl 587054587 OURCKACIATZOSX-HJWRWDBZSA-N 340.213 5.588 0 1 EKAF Cc1cc(Cl)cc2c(O)c(-c3ccc(Br)cc3)[nH]c12 587624133 YBRVRNCIYJPBJP-UHFFFAOYSA-N 336.616 5.265 0 1 EKAF Fc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1F 587951323 YMARXCMXWBPXOY-KHPPLWFESA-N 348.352 5.804 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)cc(C)c2[nH]1 587966743 GKQWPBYJGFYQCZ-XYOKQWHBSA-N 333.273 5.784 0 1 EKAF C/C(=C/c1nc2cc(C)cc(Br)c2[nH]1)C1CCCCC1 587967158 IDOAVOAXLBXOFB-BENRWUELSA-N 333.273 5.617 0 1 EKAF CC/C(=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(C)cc1 587969083 YTUAMWGZCYLACQ-RVDMUPIBSA-N 346.409 5.147 0 1 EKAF Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc(F)ccc4[nH]3)nc12 1857637445 GSKDEMARVBJVNU-UHFFFAOYSA-N 347.176 5.535 0 1 EKAF CC(=O)O[C@@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)C[C@@]2(C)O 2356730771 GXXLLEDKYVEOQW-YUMYIRISSA-N 348.527 5.332 0 1 EKAF CC(=CC=C[C@H](C)CCC[C@@H](C)CC(=O)O)CCCc1ccoc1 2356799794 UVZVFURLBKZRAY-PKOBYXMFSA-N 332.484 6.022 0 1 EKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2cc3ccccc3o2)cs1 61926792 ICAQZAYNMRFHCF-QGZVFWFLSA-N 341.819 5.291 0 3 EKAF CC(C)=CC[C@]1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O 1645430 IJGLPJRKFZJNCY-HSZRJFAPSA-N 343.426 5.304 0 1 EKAF Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 26144784 SVBPIHGFWPZCHM-BQYQJAHWSA-N 332.369 5.179 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C=CCC[C@@]43C)[C@H]1CC=C2c1cccnc1 26499470 LAZGFPQCCUTDPH-XJUGCWAMSA-N 331.503 6.204 0 1 EKAF COc1c(O)ccc(O)c1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 29571649 BKCMPBYOOQMWHC-DENIHFKCSA-N 344.495 5.592 0 1 EKAF CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 40835272 NKIBKNOODDQPIA-ZDUSSCGKSA-N 333.262 5.216 0 1 EKAF COc1ccc2cc(-c3ccc(C)cc3)c(=O)oc2c1CCC(C)C 64559978 HYQBCTAUVUTYJO-UHFFFAOYSA-N 336.431 5.366 0 1 EKAF CN(C)c1ccc([C@H](C[C@H](N=O)c2ccccn2)c2ccccc2)cc1 169730259 FZNROVUGDZJOBI-IRLDBZIGSA-N 345.446 5.177 0 1 EKAF CCCCCOc1cc2nc(C3CCC3)[nH]c2cc1Br 586883928 IZECFSQABOTKIH-UHFFFAOYSA-N 337.261 5.162 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892045 STISIBHNPLIVBT-ISVAXAHUSA-N 347.178 5.248 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 587624334 GVAILRAXNGPSHE-UHFFFAOYSA-N 331.774 5.113 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1cccc2cc[nH]c12 1772586767 XVSFQKMKRUWUED-ZZXKWVIFSA-N 345.273 5.620 0 1 EKAF Cc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 1857540097 OJVGDXINQGCGOW-UHFFFAOYSA-N 342.851 6.021 0 1 EKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)[C@@H]2C[C@@H]1CC=C2C 2356335175 VJINTGNFGLYKKX-ISJGIBHGSA-N 340.595 8.178 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CCC=C(C)C[C@@H](O)[C@@H]12 2356406962 MHVGGXRUWKWUJE-ZHXYCXGVSA-N 348.527 5.044 0 1 EKAF CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1cc(C)cc(C)c1 205706483 HTNBCAVRQOCHPD-MOMVYJMYSA-N 329.484 5.991 0 3 EKAF CN(Cc1ccc(-c2ccccc2)cc1)Cc1cccc2ccccc12 6437572 XGZTWRJCQCGCNN-UHFFFAOYSA-N 337.466 6.139 0 1 EKAF CC[C@@H](C)c1ccc(NC(=N)Nc2ccc3c4c(cccc24)CC3)cc1 13780923 RCHSAAXITZQQRT-OAHLLOKOSA-N 343.474 5.911 0 1 EKAF CON(C)CCCCCCCC/C=C\CCCCc1cccnc1 14885500 CFFZTNFSYWKUCA-ALCCZGGFSA-N 332.532 5.575 0 1 EKAF CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1 29123889 RSOWKGHGGWKLRF-DUXKGJEZSA-N 332.528 5.172 0 1 EKAF in-vivo O=C(O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1 36350455 KWJJDJJGUBFGKF-UHFFFAOYSA-N 325.433 5.642 0 1 EKAF CCCc1cc(-c2nc(-c3ccc(NC(C)C)cc3)cs2)ccn1 72181906 GOKVUOGCZQKXQS-UHFFFAOYSA-N 337.492 5.645 0 1 EKAF CN1[C@@H]2CC[C@@H]1[C@@H](CCc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 100720395 KCICRXGLELYHLS-CIAFKFPVSA-N 339.910 5.539 0 1 EKAF CCCCC1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 586893194 WWXRMBSYXFXEBP-UHFFFAOYSA-N 328.353 5.583 0 1 EKAF Cc1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1Cl 586898986 PQMDDVCNGSSXJM-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 587030757 KOPYBTXVBJKVBW-CQSZACIVSA-N 347.487 5.830 0 1 EKAF O=C1c2ccccc2-c2c(Cc3ccc(F)cc3)cnc3cccc1c23 587104174 OJESCDCVBMQKMD-UHFFFAOYSA-N 339.369 5.176 0 1 EKAF CC[C@H](C)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208011 PPWOBUQCFDZDMQ-LSDHHAIUSA-N 341.454 5.912 0 1 EKAF O=C1C[C@@H](C[C@@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587524226 LJFNHUGKNDGENO-RBUKOAKNSA-N 346.470 5.409 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C)c(C)c3[nH]2)c1 587780204 NXEJEVXUZPXNOM-UHFFFAOYSA-N 342.442 5.912 0 1 EKAF CSc1ccc(-c2csc(-c3cccc4cccnc34)n2)cc1 587924598 FGDKFFWUFYFFCN-UHFFFAOYSA-N 334.469 5.747 0 1 EKAF CC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1 653726496 PGXNNFRHYYEMJU-UHFFFAOYSA-N 339.385 5.169 0 1 EKAF Cc1oc2ccccc2c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962667926 MZVBQEBZMJQTII-XMMPIXPASA-N 339.438 5.643 0 1 EKAF CCCCCC1([C@]2(C)NCCc3c2sc(C)c3C)CCC(=O)CC1 963011641 HBIAMGCOBWIAQZ-HXUWFJFHSA-N 347.568 5.436 0 1 EKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CC1CCC1)c1ccccc1 963109522 UZIUSXXTZKVCDH-GGAORHGYSA-N 335.466 5.280 0 1 EKAF CCCCCC1=C(C=C[C@H](O)CCCCC(=O)O)C[C@@H]2CC=CC[C@@H]12 2356306555 GIENRQRTOYZLRR-DFQSSKMNSA-N 346.511 5.412 0 1 EKAF COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1 13678084 URSHIDUDJLBABT-UHFFFAOYSA-N 325.496 5.293 0 1 EKAF CCCC[C@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941623 XGJBQLUMKAYNAP-QHAWAJNXSA-N 342.914 5.346 0 1 EKAF CC[C@H](C)c1ccc(N2CCN=C2Nc2cccc([C@H](C)CC)c2)cc1 26819298 FYFHYQJTBQKHON-ZWKOTPCHSA-N 349.522 6.002 0 1 EKAF CCOC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 45334684 HFZCRFZXUZWLKE-UHFFFAOYSA-N 332.399 5.109 0 1 EKAF Clc1ccc2nc3c(c(-c4ccccc4Cl)c2c1)CCS3 66099852 QWOHIEAENPIALO-UHFFFAOYSA-N 332.255 5.857 0 1 EKAF COc1cccc2[nH]c(CN[C@H](C)c3cccc4ccccc34)cc12 200339306 RGZXNHCOZIOFAP-OAHLLOKOSA-N 330.431 5.181 0 1 EKAF CCOc1ccc(C2([C@@H](CC(C)C)NCCSCC)CCC2)cc1 219112460 AVTXNQCMEJNGRM-HXUWFJFHSA-N 349.584 5.264 0 1 EKAF CC(=O)Oc1cc(C)c(OC(C)=O)c(C/C=C(\C)CCC=C(C)C)c1 238738737 RAISXEOPUCKKJW-XNTDXEJSSA-N 344.451 5.081 0 1 EKAF Clc1cc(Cl)c(Br)c(-c2nc3ccccc3[nH]2)c1 586974991 IEJDLLVZINBWKH-UHFFFAOYSA-N 342.023 5.299 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)C[C@H]4C)-c1ccccc1C2=O 587100310 GFJQTTIVBABLBA-GXTWGEPZSA-N 327.427 5.440 0 1 EKAF CNc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102957 BTIMEKRDOJZTHX-UHFFFAOYSA-N 336.394 5.155 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587146302 HXXMMDNQGQNCEG-SNAWJCMRSA-N 349.178 5.082 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C1CC1)CCC3 587207092 HTEKUCLDEGDYHF-CQSZACIVSA-N 325.411 5.276 0 1 EKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(C(C)(C)C)CC2=O 587493839 IASLDEJSDUKABE-HXUWFJFHSA-N 344.476 5.313 0 1 EKAF CCc1[nH]c2cccc(F)c2c1C(=O)c1ccc(C(F)(F)F)cc1 587633660 IJNNCVDHGHELSB-UHFFFAOYSA-N 335.300 5.119 0 1 EKAF c1ccc(C[C@H](c2ccccc2)c2nc3ccc4ncccc4c3[nH]2)cc1 587955234 ITFREOYYGVACFQ-HXUWFJFHSA-N 349.437 5.486 0 1 EKAF O=S1(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 1772616907 OXMFSTCFDKSEMA-UHFFFAOYSA-N 345.308 5.008 0 1 EKAF COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3CC(C)(C)CC[C@]13C)O2 2356519777 OTQYXSRTAPOZDP-XEHJXZTKSA-N 328.496 5.631 0 1 EKAF CCC=CCC=CC[C@H](O)C=CC=CCC=CCCCC(=O)OC 2356672990 DTRIZYGHKMRYJM-FQEVSTJZSA-N 332.484 5.052 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)CC[C@H]2[C@H]1[C@H]4C2(C)C 13376901 YNDNDGLKKJXJED-AEEVCGNZSA-N 331.459 5.930 0 1 EKAF in-man CC(C)Cc1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1 34800843 PPFWSQNEFCXMGP-UHFFFAOYSA-N 327.431 5.490 0 1 EKAF in-vivo CC(=O)O[C@H]1CC/C(C)=C/CC/C(C)=C/C[C@]2(C(C)C)CC[C@]1(C)O2 103534788 HVBACKJYWZTKCA-MDSZWTHSSA-N 348.527 5.739 0 1 EKAF biogenic,in-vitro CCCC/C=C/C/C=C/CCCCCCc1cccc(OC)c1OC 238778140 QKVPVZPGUUHBMD-ZDVGBALWSA-N 344.539 6.890 0 1 EKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)cc1 473136115 XLQAOPUFPBMJGJ-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF Cc1ccc2c3c(cc(CC4CCCC4)nc13)-c1ccccc1C2=O 587100068 ZJJCGOIMDDCRBK-UHFFFAOYSA-N 327.427 5.487 0 1 EKAF CC(C)(C)Oc1cc(-c2nc3cc4ccccc4cc3[nH]2)c(N)cc1F 587135722 BSYNAUMBSSQBNK-UHFFFAOYSA-N 349.409 5.282 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C)c(C)c4[nH]3)c2)c1 587160596 XJRHWLLDCXBKND-UHFFFAOYSA-N 346.405 5.661 0 1 EKAF Cc1cccc2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587207158 IYXZWBCSJJVBOW-UHFFFAOYSA-N 333.390 5.326 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587207255 PAPIKDCSGNBKAJ-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF CC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359198 ZPWBRANFSJCFLK-RXVVDRJESA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(C)c1Cl)CC2=O 587466230 MPWQFVOUACTMTN-QGZVFWFLSA-N 348.801 5.152 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ncccn3)c(C3CCCCC3)c2c1 587644045 LNMKJSRRDMYVOM-OAHLLOKOSA-N 333.479 6.186 0 1 EKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C1 587968909 IMJDDJWMXXJWAZ-NXEZZACHSA-N 344.808 6.165 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]45C[C@@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772608153 OUHVEACSDYIANY-KNWGWBTLSA-N 345.486 5.217 0 1 EKAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1coc2ccccc12 1772630319 QLRUJAXCPOWLKS-BQYQJAHWSA-N 333.475 5.876 0 1 EKAF C[C@]12CCC(F)(F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356315175 CFOLMZDQBCZMCT-KRIFKMFISA-N 326.471 5.415 0 1 EKAF CCC(CC)(c1cccc(O)c1)C(CC)(CC)c1cccc(O)c1 27895278 YIUQRVHEFZSHHY-UHFFFAOYSA-N 326.480 5.914 0 1 EKAF CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)s1 28756524 PXVBTZKLLWIINF-KYUUQUQASA-N 344.520 6.411 0 1 EKAF c1ccc([C@H]2O[C@H]3c4cccc5cccc(c45)[C@@H]3N2c2ccccc2)cc1 103132798 XQVNBWQUBGRWCR-CCDWMCETSA-N 349.433 6.171 0 1 EKAF O=C(c1cc(C2CCCC2)on1)N(C1CCCCC1)C1CCCCC1 103283872 IKKTXVDCGJIDIH-UHFFFAOYSA-N 344.499 5.440 0 1 EKAF CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255242502 NBDWSJHVNDJYOS-DCPASUKCSA-N 344.583 6.363 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 299844228 QPIUBKNTZMBLLI-KDFDBBEKSA-N 348.527 5.044 0 1 EKAF CC(=O)c1sc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C 299863056 KMMAFOMEQVAUIA-UHFFFAOYSA-N 334.750 5.070 0 1 EKAF CSc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048386 VCIIKFBTULCOKC-MNOVXSKESA-N 349.286 5.863 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(O)cc2[nH]1 587073264 ABBDOIRIUNJULY-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1 587146251 FZGHNTXUYVVYDL-UHFFFAOYSA-N 328.696 5.350 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccccc3S)nc3cccc1c23 587209913 WXTMNXCCHSBSPR-UHFFFAOYSA-N 339.419 5.402 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3C)c1 587364700 AUQRBXSVMQYWJX-CYBMUJFWSA-N 329.399 5.706 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(Cc1ccc(C)cc1)CC2=O 587488634 JLOOWFSGBASBKW-JOCHJYFZSA-N 338.447 5.010 0 1 EKAF CCC[C@@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3 587535184 JBEASXRMZMBKRW-FQEVSTJZSA-N 326.461 5.288 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)cc(-c3cccc(Cl)c3)n2)cc1 653737655 PCKFDRLGERHNRU-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Clc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)cc2c1 1772618139 IPXFLOOFVIWURQ-UHFFFAOYSA-N 334.802 6.332 0 1 EKAF C=C(O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@H]1C)C(C)=CC 2356451347 CKHQIEOHUNQMAA-RHFVWNJJSA-N 330.468 5.095 0 1 EKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@](C)(CO)CCC[C@@]12C 2356536510 MCTLHBSXZUSYKL-FSSWDIPSSA-N 348.527 5.191 0 1 EKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)NCc1cccc(F)c1 205704894 NGNHROBHWHGDAZ-RVSXGSNBSA-N 349.515 5.356 0 3 EKAF CC(C)c1cc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)on1 13532705 VORLYPMDEILSSB-QXOCSCLMSA-N 344.886 5.185 0 1 EKAF Oc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1 13586342 JFMIDTYLHCPZPL-UHFFFAOYSA-N 326.827 5.568 0 1 EKAF in-vivo CCCC[C@@H](CC)C/C=C1\C[C@@H](C(=O)OCC)Oc2ccccc21 13816079 YIUAKHWCTFVMNC-LNMCNHIHSA-N 330.468 5.391 0 1 EKAF CCCCCC[C@H](O)C/C=C\CCCCCCCCCC(=O)OC 14449851 NIOKVQPUJKYTOZ-LFDGNKEFSA-N 340.548 5.948 0 1 EKAF CCCCNc1sc2c(C)c(O)c3ccccc3c2[n+]1CCCC 27732629 FKRWAHGEGHYLBW-UHFFFAOYSA-O 343.516 5.368 0 1 EKAF CCCn1nc(-c2ccccc2)c2c1/C(=C/c1ccccc1)COC2 29314563 JZPQCGUHYMUFAG-XMHGGMMESA-N 330.431 5.031 0 1 EKAF Fc1ccc2c(c1)sc1nc(-c3ccccc3)c(Cn3cccc3)n12 72179369 KASDKQIYQJXEJD-UHFFFAOYSA-N 347.418 5.205 0 1 EKAF CCCc1cc2ccccc2nc1-c1cc(-c2ccc(C)cc2)no1 103251892 GSEJRDKJXBBIFI-UHFFFAOYSA-N 328.415 5.818 0 1 EKAF C[C@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3 147109150 UXYQWXBNZAYHDD-LLVKDONJSA-N 331.246 5.441 0 1 EKAF CCCC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991572 PBZGETAEUFXDSB-ZDUSSCGKSA-N 343.426 5.372 0 1 EKAF CCc1cc(OCc2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1Cl 587052940 UVOAUNDKLWGCIB-UHFFFAOYSA-N 342.870 5.655 0 1 EKAF Clc1cccc(/C=C\c2nc3cc4ccccc4cc3[nH]2)c1Cl 587053886 JFCHXGZKVQXZIB-HJWRWDBZSA-N 339.225 6.193 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 587153079 KOJWGRNBPSXAHK-UHFFFAOYSA-N 339.373 5.584 0 1 EKAF Cc1ccc(NC2(c3nc4cc(C)c(Cl)cc4[nH]3)CCCC2)cc1 587236980 IZQYUNHLVGNZCU-UHFFFAOYSA-N 339.870 5.715 0 1 EKAF CCn1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587516401 SFZBINOWCQXKBY-QFIPXVFZSA-N 345.442 5.247 0 1 EKAF O=C1C[C@H](c2cccc(-n3cccc3)c2)Oc2c1ccc1c2CCCC1 587516740 VNAJUUUGSGYPRS-JOCHJYFZSA-N 343.426 5.063 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Br)cc1 587628013 FKSVHMQKIMTEBW-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF CCCC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813267 NWGSNIROPUEXAJ-YVEFUNNKSA-N 342.296 5.164 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 587923107 PAVYCKYQOBVJCA-UHFFFAOYSA-N 347.414 6.409 0 1 EKAF CCCCCC[C@@H](O)CC=CCCCCCCCCCC(=O)OC 2356521206 NIOKVQPUJKYTOZ-HXUWFJFHSA-N 340.548 5.948 0 1 EKAF CC[C@@H](C)C(=O)c1c(O)cc(O)cc1OCC=C(C)CCC=C(C)C 2356770024 UMIJNJJRYSRDPG-MRXNPFEDSA-N 346.467 5.398 0 1 EKAF O=c1cc(-c2ccccc2)c(-c2ccccc2)nn1C1CCCCC1 13470388 YOQGXVMHNLUFBH-UHFFFAOYSA-N 330.431 5.083 0 1 EKAF CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](C)CCCCCC2 27517953 URKLLKTVBBRRMX-WBVHZDCISA-N 340.463 5.497 0 1 EKAF CC[C@@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 40940075 HHRVQORAXYQVHM-HXUWFJFHSA-N 343.898 5.646 0 1 EKAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCF)c1ccccc12 66258774 ICQWUFVFVBZJRE-UTKZUKDTSA-N 339.454 5.170 0 1 EKAF COc1cccc(NCC[C@]2(c3cccs3)CCOC(C)(C)C2)c1 72112011 FBMPZZFXBPBSFK-FQEVSTJZSA-N 345.508 5.086 0 1 EKAF CNc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95557354 BAKMPJHSJDZGLW-UHFFFAOYSA-N 336.826 5.023 0 1 EKAF Cc1ccccc1NC(=O)Nc1nc2c(ccc3ccccc32)s1 103293692 PYOFNTJLZWUQMX-UHFFFAOYSA-N 333.416 5.402 0 1 EKAF CCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144782649 UZWQTECTAXVVSH-GOSISDBHSA-N 336.353 5.034 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 299808422 SOAIWELMVRCOAD-KQDNOMNESA-N 346.511 5.252 0 1 EKAF CCc1nc2ccc(O)c3c2c(c1CCC(C)C)-c1ccccc1C3=O 586991192 LYUYDBDRZPUJSQ-UHFFFAOYSA-N 345.442 5.303 0 1 EKAF Fc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1F 587016268 SZPOXBLRFFJVAD-UHFFFAOYSA-N 347.777 5.285 0 1 EKAF COc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Cl 587025957 PSKNKODZIYPGKO-UHFFFAOYSA-N 340.835 5.620 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2C1 587034155 PRFCJFRXRNJLEG-SSDOTTSWSA-N 338.263 5.118 0 1 EKAF Cc1ccnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072099 VIJUNUDAZXSWOU-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1C 587084067 UMWKNSPRIOLFRK-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Cc1c(Cc2cccs2)nc2cccc3c2c1-c1ccccc1C3=O 587208613 WCAOOFDWYCIGLA-UHFFFAOYSA-N 341.435 5.407 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1ccccc1)CC2=O 587487646 GAEJGHWEAPIASY-QFIPXVFZSA-N 338.447 5.252 0 1 EKAF Cc1[nH]c2cccc(F)c2c1[C@H]1CCCCCN1C(=O)OC(C)(C)C 587637177 XEHMNEVWFOHHCU-MRXNPFEDSA-N 346.446 5.468 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(C)=O)c2c1 587640247 GOCGKBXWHOQUGI-LBPRGKRZSA-N 325.839 6.204 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3ncccc3C)c2c1 587641592 NCUKIUWMZBEREA-NSHDSACASA-N 332.369 6.071 0 1 EKAF FC(F)(F)c1cnc(-c2ccc(Cl)cc2)c2[nH]c3ccccc3c12 621477852 QPBVJXYEHKEUCY-UHFFFAOYSA-N 346.739 6.055 0 1 EKAF Oc1ccc(-c2cc(-c3ccncc3)nc3c2Cc2ccccc2-3)cc1 1772630162 BLNPDSLIKFCOMT-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)c3oc4ccccc4c3n2)cc1 1772631647 BRRYMFHFAKYGSM-UHFFFAOYSA-N 337.378 6.021 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(c3ccncc3)=NO2)cc1 1857633702 BTRSFDUKQOXYBM-HXUWFJFHSA-N 339.398 5.096 0 1 EKAF C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)CC(C)(C)C1 1857775035 NLJWGMYYULUAFJ-WDEREUQCSA-N 336.888 5.351 0 1 EKAF CC=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356311182 SKSOMRHTXHIGIB-LLINQDLYSA-N 342.523 5.827 0 1 EKAF CC[C@H](CC=CCCC(=O)O)CCCCCC[C@H]1C=C(CCN)CC1 2356565799 LSOXKPCHPZASBZ-VQTJNVASSA-N 349.559 5.850 0 1 EKAF CCCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O 2356641248 KAOMOVYHGLSFHQ-UHFFFAOYSA-N 344.495 6.276 0 1 EKAF CCn1c(C(=O)Nc2c(C)cccc2C)cc2sc(Cl)cc21 6804711 VCRGEJSGTSNQCN-UHFFFAOYSA-N 332.856 5.245 0 1 EKAF CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)Cc1cccnc1 13827385 LPWCDUIRPHSRCJ-LEPZWUDTSA-N 340.555 6.323 0 1 EKAF Cc1ccc([C@@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28234223 GDTOFSFBQOMDHZ-NRFANRHFSA-N 347.849 5.273 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(O[C@@H](C)CC)cc2)n1 72180550 LKRQCCIJSZLURV-IRXDYDNUSA-N 344.499 5.577 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]1CC/C=C(/C)CC[C@@H]2[C@H](C)CCC=C(C)C 169370425 SOAIWELMVRCOAD-QEYIQDTLSA-N 346.511 5.252 0 1 EKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc1ccccc1 584905082 KXSGDIXLRIAMPQ-DJCPXJLLSA-N 347.502 5.729 0 1 EKAF in-vitro Clc1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 586900897 GFIBYJIFQCQBIT-UHFFFAOYSA-N 337.604 5.116 0 1 EKAF CC[C@H](Oc1ccccc1F)c1nc2cccc(C(C)(C)C)c2[nH]1 587155609 MTNKCQVHGZPREQ-INIZCTEOSA-N 326.415 5.530 0 1 EKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3ccccc3cc2[nH]1 587171839 TUSYDFAKRSXNHZ-CYBMUJFWSA-N 336.435 5.751 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587251152 ZQXIXEZZMVMKIU-UHFFFAOYSA-N 337.785 5.272 0 1 EKAF COc1cc2c3c(c1)O[C@H]([C@@H](C)CC[C@@H](C)CC(C)(C)C)[C@@H](C2)C3=O 587446105 UCEABVBXYMAANF-QJPIZNMWSA-N 344.495 5.300 0 1 EKAF CC(C)(C)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521572 CURJITDSMORDHG-NRFANRHFSA-N 334.459 5.569 0 1 EKAF CC(C)(C)Oc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587921904 ATPDIGGAJSCBQB-UHFFFAOYSA-N 345.414 5.933 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3cccc(-n4cccc4)c3)n2)c1 587922478 SYGFJOJKQPZAPU-UHFFFAOYSA-N 338.382 5.546 0 1 EKAF CSc1ccc(-c2csc([C@@H](C)Cn3nc(C)cc3C)n2)cc1 587926282 WUABCAUXOIEESE-LBPRGKRZSA-N 343.521 5.149 0 1 EKAF CC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956041 ROEOLPMUCFORTM-HXUWFJFHSA-N 340.426 5.140 0 1 EKAF CC(C)(C)OC(=O)c1ncn2c1cc(-c1ccccc1)c1ccccc12 653833443 SCPRBFBZCSMDGQ-UHFFFAOYSA-N 344.414 5.110 0 1 EKAF Cc1ccc(C(c2ccc(C)cc2)[S@](=O)Cc2cccs2)cc1 1772582510 QUMHMNSOISGBJC-HSZRJFAPSA-N 340.513 5.403 0 1 EKAF COc1cccc([C@@H](C)CCN2CCC(Cc3ccccc3)CC2)c1 1772655900 SVKWAPQGLIWXND-IBGZPJMESA-N 337.507 5.144 0 1 EKAF COc1cc(/C=C\c2ccc(OC)c(CC=C(C)C)c2)cc(OC)c1 1857560171 IYZCXRZQLCNWOY-FPLPWBNLSA-N 338.447 5.392 0 1 EKAF CSc1ccc2c(c1)C(SCCN(C)C)=Cc1ccccc1O2 27554202 PHXGBAODGCGBOK-UHFFFAOYSA-N 343.517 5.307 0 1 EKAF CSc1ccc(Nn2c(-c3ccccc3)c(C)[nH]c2=S)cc1 33493445 NESOTMPMDXBNPO-UHFFFAOYSA-N 327.478 5.118 0 1 EKAF CCCCCn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc21 34029595 ZKHVZIDXMRTGCY-UHFFFAOYSA-N 345.446 5.472 0 1 EKAF Cc1ccc2c(c1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O 34094548 BVKCMKBKPMUHOY-UHFFFAOYSA-N 345.851 5.147 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOCC1CC1 38146765 JAUXZPBWXNXKFB-MLFLMRJSSA-N 344.583 7.559 0 1 EKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3cccnc3)C2)c1 40431371 WGBOCONCDWIVTA-FQEVSTJZSA-N 332.428 5.145 0 1 EKAF CC(=O)[C@@]1(C)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 40676699 UFIQEZHBGZCWRS-ZEOIANDVSA-N 328.496 5.114 0 1 EKAF CC(=O)O[C@H]1C[C@@]2(C)C(=C3CC=C(C)CC[C@@]31C)CC[C@@H]2C(C)C 141355392 FTFLXFWZKWKBEX-KDXIVRHGSA-N 330.512 5.827 0 1 EKAF C[C@]12CC[C@@H]3c4cc(-c5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 163517826 DXHFPSNSLLGUAZ-YDNKQOOJSA-N 348.486 5.276 0 1 EKAF COc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 201749508 CETVTNJJWXYUIM-UHFFFAOYSA-N 346.839 5.224 0 1 EKAF [C-]#[N+]c1ccc(NCc2ccc(CNc3ccc(C#N)cc3)cc2)cc1 203054520 QMHHKKBJJUYNJE-UHFFFAOYSA-N 338.414 5.333 0 1 EKAF CCCCCCn1c(-c2cccc(Cl)c2Cl)n[nH]c1=S 299823048 CSWDCVLFESXUQA-UHFFFAOYSA-N 330.284 5.495 0 1 EKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2)s1 299861765 ITLNLKAWTBJEQP-UHFFFAOYSA-N 328.481 5.033 0 1 EKAF COc1ccc(-c2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1 473151275 OZFJDRNXWBYJFR-UHFFFAOYSA-N 340.835 5.078 0 1 EKAF CCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587208624 WHJDGLBWNYVMNE-UHFFFAOYSA-N 341.435 5.737 0 1 EKAF O=C(Cc1ccc(Br)cc1)c1coc2ccc(Cl)cc12 587275892 HCUWIQDTUCGTCE-UHFFFAOYSA-N 349.611 5.274 0 1 EKAF Cc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C)c2c1 587516285 RINOZYYRDWPKDT-QFIPXVFZSA-N 345.442 5.072 0 1 EKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2cccc(F)c12 587634416 XYNYDEONLSPQFI-UHFFFAOYSA-N 336.179 5.438 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(OC(C)=O)c2c1 587642039 LSKCXFQHIRIGIE-GFCCVEGCSA-N 325.383 5.413 0 1 EKAF O=C(O)CCCCCCCCCCCCc1nc2ccccc2[nH]1 587957283 JWYACXMDYJVLIP-UHFFFAOYSA-N 330.472 5.481 0 1 EKAF COc1cccc(-c2cc(Nc3cccc4ccccc34)nc(C)n2)c1 653773162 SKEKTTMSAPFEHM-UHFFFAOYSA-N 341.414 5.357 0 1 EKAF O=C(O)[C@@H](O)CCCCCCCCCCCC1CCCCCC1 13415619 QMSDXTYLUVLIRZ-IBGZPJMESA-N 326.521 5.693 0 1 EKAF biogenic O=C(O)CCCCCCc1ccc(Cc2ccnc3ccccc23)cc1 26846736 RTZFQLTWYAZEIB-UHFFFAOYSA-N 347.458 5.403 0 1 EKAF CN1CCC2(CC1)S[C@@H](c1ccc(Cl)cc1)c1ccccc12 27871570 MGVAJZMTXRQJPS-SFHVURJKSA-N 329.896 5.097 0 1 EKAF Cc1cc2c3ccccc3n3c2c2c1O[C@]1(C)CC[C@@H]([C@@H]2C1)C3(C)C 100772987 YPSWCORASQDCJM-HKARXFIJSA-N 331.459 5.886 0 1 EKAF endogenous,in-man Cc1ccc(NC2(c3nc4cccc(C(C)(C)C)c4[nH]3)CCCC2)cc1 587237259 OVRINVABNHNHIF-UHFFFAOYSA-N 347.506 6.050 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)c1ccccc1)CC2=O 587490034 QRUXNFZGYLUMQV-QFIPXVFZSA-N 338.447 5.046 0 1 EKAF CCCCCC[C@@]1(CCC)CC(=O)c2ccc(O)c(CCC)c2O1 587491293 VWUBFFLCNVNWRP-NRFANRHFSA-N 332.484 5.819 0 1 EKAF Cc1ccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587523234 HSMRKHBXJQEWLU-OAQYLSRUSA-N 331.415 5.062 0 1 EKAF C[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532218 OSSKRBHGAOMXPI-GOSISDBHSA-N 332.852 5.161 0 1 EKAF CCCCOc1cc2nc([C@H](C)CC)[nH]c2cc1Br 587955037 FIAHARDETYDPIO-SNVBAGLBSA-N 325.250 5.018 0 1 EKAF Cc1sc2c(c1C)CCN[C@@H]2C[C@H](C)c1cn(C)c2ccccc12 963008143 JUQMBSLCCMEGCS-ORAYPTAESA-N 338.520 5.237 0 1 EKAF Fc1cccc2c1[C@]1(CCCC[C@@H]1c1ccccc1)N1CCC[C@@H]1C2 963102251 KONVMKAEABHFFE-TXTKFYIRSA-N 335.466 5.399 0 1 EKAF C(=C/c1cc(-c2c[nH]c3ccccc23)c2ccccc2n1)\c1ccccc1 1857587967 KUPPYVSMSFUDJU-CCEZHUSRSA-N 346.433 6.554 0 1 EKAF CCC(CC)c1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2[nH]1 34800844 GPQRSDCKVYJMOH-UHFFFAOYSA-N 341.458 6.196 0 1 EKAF in-vivo CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)NO 40504907 RIBICZLEFQTZEU-CABOLEKPSA-N 335.488 5.174 0 1 EKAF CC(C)(C)c1ccc(OCCCOCCCN2CCCCCC2)cc1 40940039 OFDHBYYXFREPSG-UHFFFAOYSA-N 347.543 5.036 0 1 EKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)cc2c3ccccc3ccn12 73164645 PGQREHYBBKAYBK-UHFFFAOYSA-N 349.817 5.590 0 1 EKAF CC[C@@H](C(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1 95555398 UOJYNTLRZFVCLW-LJQANCHMSA-N 336.479 5.199 0 1 EKAF c1ccc(-c2cc(-c3cccs3)nc3c2Cc2ccccc2-3)nc1 299818633 BNJYVIQKQYYFOW-UHFFFAOYSA-N 326.424 5.443 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(C(F)(F)F)c3[nH]2)cs1 587020564 BSIXLERRHBKELH-UHFFFAOYSA-N 348.353 5.009 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C(F)F)CC3 587103977 PCYXUONLWBVGQD-LBPRGKRZSA-N 349.380 5.206 0 1 EKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccn3)nc3cccc1c23 587108290 ZFFCBSFEQLFXHZ-VAWYXSNFSA-N 334.378 5.012 0 1 EKAF CC(C)=C1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587208806 ZWQJFXYNLNHJPU-CQSZACIVSA-N 339.438 6.137 0 1 EKAF O=C(c1cc2cc(Cl)ccc2s1)c1coc2ccc(Cl)cc12 587279485 WECXDQIQMGJKQO-UHFFFAOYSA-N 347.222 6.185 0 1 EKAF CCCOc1cccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587570432 WWNBFKDFDXUWRI-UHFFFAOYSA-N 335.234 5.249 0 1 EKAF Fc1ccc(-c2csc(-c3cccc(Cl)c3Cl)n2)cc1F 587922207 MUTXUXCLVRHWAK-UHFFFAOYSA-N 342.197 6.062 0 1 EKAF COc1ccc(-c2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1OC 587928299 BMUSQXLJXWAPRT-UHFFFAOYSA-N 348.377 5.053 0 1 EKAF C[C@@H]1CC[C@H]2[C@H](C1)c1c(O)cc(C=Cc3ccccc3)cc1OC2(C)C 2356420688 KCNFZTIIENBEPU-UXPWSPDFSA-N 348.486 6.253 0 1 EKAF C[C@H](Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1 4118044 PTEHHMVRHOYERK-HNNXBMFYSA-N 343.405 5.609 0 3 EKAF C/C1=C/CC/C(C)=C/CC[C@@]2(C)C=Cc3c(cc4c(c3C1)OCO4)O2 14710393 KUXTYWCKIQNOGF-MLFIJJEYSA-N 338.447 5.589 0 1 EKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](/C=C/c3cccc(C(=O)O)c3)CCC[C@@H]12 29345433 MDXUELSLJRDCPN-QFUCYEKNSA-N 342.479 5.002 0 1 EKAF CN1CCC(=C2c3ccccc3-c3cocc3-c3ccccc32)CC1 39215291 MHSYODWGVROAKD-UHFFFAOYSA-N 327.427 5.455 0 1 EKAF Oc1cccc([C@]23CCC[C@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1 66074824 BJIZSNKTBYAOCG-LPHRJVMESA-N 347.502 5.082 0 1 EKAF CN1C(=O)[C@@H](c2ccc(-c3ccccc3)cc2)Sc2ccccc21 73160759 WXXKPKRZMNYNKI-HXUWFJFHSA-N 331.440 5.163 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2)nsc1NC(=O)[C@@H]1C[C@H]1C 84603003 NZLYIRGKYBTHNX-GMSGAONNSA-N 341.263 5.020 0 1 EKAF CCCCCCOc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166282774 FZUWEDKWVYYYRI-UHFFFAOYSA-N 338.451 5.193 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(OC)c(C)cc2[nH]1 586970824 JSKYIEJVHBPSMY-UHFFFAOYSA-N 339.277 5.070 0 1 EKAF Cc1cnc(Cl)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12 587077891 ZFGZLKALSNLVPX-UHFFFAOYSA-N 332.234 5.043 0 1 EKAF CC[C@H](C)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364504 BXEZQGISVCBYMV-AWEZNQCLSA-N 345.442 6.479 0 1 EKAF CCC[C@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365549 LKFSQDMPMFGESO-HNNXBMFYSA-N 345.442 6.560 0 1 EKAF O=C(c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12)C(F)(F)F 587633339 ALXKYFTVBDJUCE-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)cc1 587634075 AEAYFKWKNKPAPY-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF Cc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1C 587783194 ZGTRWWYGXDCOER-UHFFFAOYSA-N 344.414 5.131 0 1 EKAF CCCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587921999 FUCXTBKRWZTGAQ-UHFFFAOYSA-N 331.387 5.544 0 1 EKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(C3CC3)n2)cc1 587923552 WIDORVSRQCCBRV-UHFFFAOYSA-N 334.419 5.975 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1 587966687 DUBKXIYPJJSPMU-VKAVYKQESA-N 348.515 6.864 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(CO)C=Cc2cc(O)ccc2O1 2356815982 CXHVJBDAJKBRIR-OAQYLSRUSA-N 328.452 5.002 0 1 EKAF Cc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1 13445571 XNPKOYKHRYUIPH-UHFFFAOYSA-N 343.430 5.062 0 1 EKAF CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(C2CCCCC2)n1 13474620 CBPLDNYLJICMAR-UHFFFAOYSA-N 340.471 5.330 0 1 EKAF CCn1ccc2cccc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c21 13489554 NRBXJYYBRQNWRC-HXUWFJFHSA-N 335.838 5.149 0 1 EKAF Cc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl 13517636 PJDOZLJOLXUPTG-UHFFFAOYSA-N 329.871 5.213 0 1 EKAF Cc1ccc(C)c(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)c1 28711025 BPGKPPZFRZYMTI-UHFFFAOYSA-N 349.474 5.895 0 1 EKAF O=C(Oc1ccccc1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957316 IIHVGQJVNJHAMA-UHFFFAOYSA-N 333.214 5.537 0 1 EKAF CCCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2 35090899 HGQOUEBWFKERAC-UHFFFAOYSA-N 338.403 5.686 0 1 EKAF C[n+]1c(/C=C/c2ccc(-c3cccc(Cl)c3)o2)ccc2ccccc21 40827990 PYAFYCSTGHFFAS-VAWYXSNFSA-N 346.837 5.748 0 1 EKAF CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82219569 DJIIYOZIHLKPNZ-UHFFFAOYSA-N 338.480 5.096 0 1 EKAF c1ccc(-c2nc3ccn(Cc4cccc5ccccc45)cc-3n2)cc1 100065594 XOJOAELDPAJCPP-UHFFFAOYSA-N 335.410 5.251 0 1 EKAF CO[C@@]12CC[C@@]3(C)[C@H](CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 100829626 FCFUSYHGZLEMJM-LARPEEOESA-N 346.511 5.123 0 1 EKAF endogenous,in-man Cc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103295111 DQYKNWSIQQSQKY-UHFFFAOYSA-N 343.352 5.523 0 1 EKAF Fc1cc(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586878896 BUEFIFDJLDBUKF-UHFFFAOYSA-N 345.215 5.399 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)CC1 586879666 HJXFRNCWCUIECM-WGSAOQKQSA-N 346.518 7.002 0 1 EKAF CC1=Cc2nc3ccc(O)c4c3c(c2[C@H](C)C1)-c1ccccc1C4=O 586990233 KCHCBPQRFFFEAB-GFCCVEGCSA-N 327.383 5.062 0 1 EKAF Cc1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587041296 BDXLKXOJKKMXRR-AWEZNQCLSA-N 345.265 5.023 0 1 EKAF Cc1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1C(F)(F)F 587094977 LEZNYVTUPYIAFD-UHFFFAOYSA-N 342.723 5.273 0 1 EKAF Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137948 UCDVVUTYADEHRP-UHFFFAOYSA-N 339.595 5.093 0 1 EKAF Cc1ccc(O)c2c1Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587205706 CZEMRPRXTCIUQC-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF CC1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCCCC1 587207441 KSTZMEDWHQDYHZ-UHFFFAOYSA-N 327.427 5.668 0 1 EKAF O=C1c2ccccc2-c2cc(Cc3cccs3)nc3cccc1c23 587208765 ZEOASDCUCPYRJR-UHFFFAOYSA-N 327.408 5.099 0 1 EKAF O=C1C[C@@]2(CCC[C@H](c3cccnc3)C2)Oc2c1ccc1c2CCCC1 587516027 TVGDBBSKQUJXKE-SBUREZEXSA-N 347.458 5.022 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc(Cl)cc1 587623946 CGEJAZODVLHJSS-UHFFFAOYSA-N 333.218 5.344 0 1 EKAF Cc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1C 587949201 AWQQVUPHZKVECU-SQFISAMPSA-N 340.426 6.142 0 1 EKAF CCCC1(CCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 26840585 DLUCSASGCZZESI-UHFFFAOYSA-N 332.528 6.261 0 1 EKAF CC(C)=CCC/C=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 27183446 KHJUYFXUKNFQOV-IMAOXBOFSA-N 328.496 6.176 0 1 EKAF c1ccc(CCCCCCSc2ncc(-c3ccco3)o2)cc1 28352434 WROARGYPAXPGRK-UHFFFAOYSA-N 327.449 5.830 0 1 EKAF COc1ccc(Cn2ccc3c(-c4ccco4)nc(Cl)cc32)cc1 72111255 SGMKFIGFKAAEFO-UHFFFAOYSA-N 338.794 5.007 0 1 EKAF CCCC(CCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1 96923031 PSOCDUJGKMWABA-UHFFFAOYSA-N 340.507 6.109 0 1 EKAF Fc1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1C(F)(F)F 586882846 CHNGLCXOJFCCHH-YBIKONCISA-N 338.348 5.189 0 1 EKAF Cc1ccc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1 586963470 JSCHCOMXDISHRA-UHFFFAOYSA-N 337.275 5.779 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587075412 ITUJYWZBFUKKAC-QGZVFWFLSA-N 339.870 5.170 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587091061 AAVKPCKUZSPYRC-UHFFFAOYSA-N 337.345 5.010 0 1 EKAF Cc1ccc2c3c(cc(-c4ccc(C=O)cc4)nc13)-c1ccccc1C2=O 587099426 IIIUBHYTECCIJM-UHFFFAOYSA-N 349.389 5.234 0 1 EKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1 587108276 YNCOXSCZZAWSSB-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Oc1ccccc1 587210352 PQCTXFMPAZHXDF-UHFFFAOYSA-N 341.385 5.932 0 1 EKAF CCOc1cc(OCC)cc(C(=O)c2coc3ccc(Cl)cc23)c1 587276426 ONNMUHIEIBHPRZ-UHFFFAOYSA-N 344.794 5.115 0 1 EKAF C[C@H](CC1CCCCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526855 UFLKTZCDVHFCEC-VFNWGFHPSA-N 326.480 5.506 0 1 EKAF CCCc1ccc([C@@]2(C(C)C)NCCc3cc(Cl)ccc32)cc1 963391465 UHMUVTYBHHOCOJ-OAQYLSRUSA-N 327.899 5.338 0 1 EKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C)cc1C 13742179 ATHFYKJRLOUYMM-UHFFFAOYSA-N 348.446 5.587 0 1 EKAF CC[C@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C 13765051 DNKULIGQSCRTMX-HNNXBMFYSA-N 332.447 5.081 0 1 EKAF Clc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1 13808829 GNNTUYLPJHMKJZ-UHFFFAOYSA-N 346.821 5.013 0 1 EKAF CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N=N1 13835184 XFRVTPWXXZOYFP-RBZZARIASA-N 328.500 5.108 0 1 EKAF CCc1ccc([C@@H](CC)[C@@H](CC)c2ccc(CC)c(O)c2)cc1O 27655832 XPIVKAOXXQLXRY-BGYRXZFFSA-N 326.480 5.910 0 1 EKAF CC(C)=C(c1ccccc1OCc1ccc(Cl)cc1)n1ccnc1 28764668 YCNWHPNUZNMSPX-UHFFFAOYSA-N 338.838 5.415 0 1 EKAF CCc1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64573332 NGPAFLVIIWOLDC-UHFFFAOYSA-N 333.865 5.898 0 1 EKAF CC1=Nc2ccccc2C[C@@H](c2ccccc2)N1CC1CCCCC1 100886903 LYWSIHAOPRXLTB-QHCPKHFHSA-N 332.491 5.916 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586962935 VCNVRKRROXKVRA-CYBMUJFWSA-N 325.481 5.250 0 1 EKAF CCc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1Br 586978237 XVETXRJRTQBLAQ-UHFFFAOYSA-N 335.632 5.208 0 1 EKAF CC1=CC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586991584 PMGWGLRWGGBXLY-AWEZNQCLSA-N 341.410 5.366 0 1 EKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1 587049021 GHOJGORFZNQCPC-UHFFFAOYSA-N 332.790 5.363 0 1 EKAF CCC[C@@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587099129 AVBDMFJLVPXBCB-CYBMUJFWSA-N 329.443 5.967 0 1 EKAF Fc1ccc2c(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)coc2c1 587175920 YBSXXBSHWFKXOB-UHFFFAOYSA-N 338.235 5.273 0 1 EKAF Clc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587192805 DOOFFQHULKPJGB-UHFFFAOYSA-N 347.849 5.423 0 1 EKAF Cc1ccc([C@@]2(C3CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407134 XITNHIJVDDNRRF-QHCPKHFHSA-N 349.474 5.327 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(C)c1)CC2=O 587461824 ULWXZUQYZMWTPJ-HXUWFJFHSA-N 344.838 5.187 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C1CCCC1)CC2=O 587480388 JVAZSSNMNCNMCJ-DYESRHJHSA-N 328.452 5.039 0 1 EKAF Fc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772577673 QYNNGIVTIKPXDF-UHFFFAOYSA-N 339.439 5.330 0 1 EKAF COc1ccc2c(c1)C[C@]1(C)[C@H](C)CC[C@H]3C(C)(C)CCC[C@@]31O2 2356332493 GFZLFKCEWJJEFW-GZIQRIHMSA-N 328.496 5.631 0 1 EKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(C(=O)O)ccc2O1 2356565826 MSDAWPKHHPLFBC-QFIPXVFZSA-N 340.463 6.022 0 1 EKAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)cc1 13782678 ZPNVRHQSDHVOOU-GVJQPLCZSA-N 337.463 5.098 0 1 EKAF CCCCCCOc1ccc(C(=O)NC[C@@H]2CCCC2(C)C)cc1 13864676 QTRFMUNULDZMGC-SFHVURJKSA-N 331.500 5.202 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCCCCCC(=O)O 14449683 NRYRXKPIZDFLGD-LJQANCHMSA-N 328.537 6.084 0 1 EKAF in-vitro CSc1ccc([C@H]2CN3CCC[C@@H]3c3ccc(Cl)cc32)cc1 26669359 JSGXTZMCQYACBY-RTBURBONSA-N 329.896 5.344 0 1 EKAF CCCCCC12CCC(CC1)[C@@H](c1cc(=O)c3cc(O)ccc3o1)C2 27556236 PXDGXLKOYJQZMC-TUAABQIMSA-N 340.463 5.743 0 1 EKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)c1C 45201816 SBYRYCWKVPVRTO-UHFFFAOYSA-N 339.822 5.413 0 1 EKAF COc1cccc(C(=O)C[C@@H](Sc2ccccc2)c2ccco2)c1 103168696 AOOMZAWLSDDUCO-HXUWFJFHSA-N 338.428 5.395 0 1 EKAF c1cc[n+](CCCCCCCCCC[n+]2cccc3ccccc32)cc1 103240463 IXYYOCBGKVPOHF-UHFFFAOYSA-N 348.534 5.236 0 1 EKAF CCCc1cc2ccccc2nc1-c1cc(-c2ccc(F)cc2)no1 103251887 VGXORELBUSJASA-UHFFFAOYSA-N 332.378 5.648 0 1 EKAF CCCCCc1cc2c(c(N(C)C)c1)C1=C(CC[C@@H](C)C1)C(C)(C)O2 169323139 HHPWVNSEDAZORN-MRXNPFEDSA-N 341.539 6.230 0 1 EKAF Clc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c(Cl)n1 587084497 BDZHJWCOIZWGGJ-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Oc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124732 LOGUZNCNAFSQHA-FPYGCLRLSA-N 336.338 5.051 0 1 EKAF Fc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587144821 BXSIKBODJHRYCN-UHFFFAOYSA-N 332.659 5.180 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)c(Cl)c2)cc1F 587145163 KGCGZXQFRKHNLM-UHFFFAOYSA-N 336.797 5.998 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cccc(C)c2[nH]1 587239926 CCXZLDVMMYRRQH-UHFFFAOYSA-N 329.403 5.291 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(F)cc2[nH]1 587241556 VYNSONJQPAPVLG-UHFFFAOYSA-N 333.366 5.121 0 1 EKAF Cc1ccc([C@]2(C3CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407133 XITNHIJVDDNRRF-HSZRJFAPSA-N 349.474 5.327 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c2c1 587640267 GSIZWCJORACKKN-GFCCVEGCSA-N 333.809 6.637 0 1 EKAF CCC[C@H](C)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587810635 DFTFVWBPTCTIBA-XWCIJXRUSA-N 342.296 5.164 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(Oc4ccccc4)cc3)n1)O2 587875464 OWZNHQHMOVVXTP-UHFFFAOYSA-N 344.345 5.576 0 1 EKAF Cc1cc2c(cc1F)[C@@H](c1ccc(Cl)cc1C(F)(F)F)NCC2 962093844 QFJQQTGGCQXTCK-MRXNPFEDSA-N 343.751 5.041 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(F)cc(Cl)cc1F 963231366 QPAKHZZXDKHKOU-HXPMCKFVSA-N 335.825 5.364 0 1 EKAF CCCCc1c(-c2ccc(C)cc2)nc(=N)[nH]c1-c1ccc(C)cc1 1857656103 MUZCJVWRAJFIRS-UHFFFAOYSA-N 331.463 5.183 0 1 EKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)CCc1ccoc1 2356586156 NUSPBUAVDKDEAT-OZOXKJRCSA-N 332.484 5.554 0 1 EKAF CC(=CC=C[C@H](C)CCC[C@H](C)CC(=O)O)CCCc1ccoc1 2356799791 UVZVFURLBKZRAY-HKUYNNGSSA-N 332.484 6.022 0 1 EKAF O=C(NCc1ccccc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 205706744 QGCRJJCEZNLFEI-WQMHRJNTSA-N 349.474 5.419 0 3 EKAF C[C@H](C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1 3986912 KKDPGNCSRACGCK-AWEZNQCLSA-N 326.411 5.729 0 1 EKAF Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3 13757605 GWXIMTBMRWMHCD-OAQYLSRUSA-N 341.454 5.023 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCF 13797922 IQSVJSKNMWOMHG-DOFZRALJSA-N 336.535 7.118 0 1 EKAF O=C(O)CCCOc1cccc(/C=C/c2ccc3ccccc3c2)c1 27216620 LFXWDOTWJNSJPN-ZHACJKMWSA-N 332.399 5.254 0 1 EKAF COCC[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640906 RKRKYGRCYRXULL-RDWZXKLLSA-N 334.500 5.057 0 1 EKAF CCN(CC)C(=O)C[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 29413013 ZGTJEZOTMJMBSR-ROUUACIJSA-N 339.479 5.189 0 1 EKAF CC(C)c1ccc(C(c2ccccc2)c2ccccc2)c(O)c(=O)c1 29471239 MEJPZIWUKDIYEI-UHFFFAOYSA-N 330.427 5.056 0 1 EKAF CC1=[N+]2[C@H](CC3=C4CCCN(C)[C@H]4C[C@@H](C)C3)CCC[C@H]2C[C@H](C)C1 34646990 OQDUBIXUEUDROW-DIEZWCIUSA-N 343.579 5.022 0 1 EKAF O=C(CCCCCO)c1ccc(-c2ccc(F)cc2F)cc1Cl 58581363 TYJRCEKSZSGYNI-UHFFFAOYSA-N 338.781 5.021 0 1 EKAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 84672335 DFXPIMWGGIKCJK-JZZBYWGLSA-N 344.539 5.993 0 1 EKAF c1ccc2c(c1)c(OCC1CCCCC1)nn2CC1CCCCC1 103262977 AVHMZIMFLFDTIN-UHFFFAOYSA-N 326.484 5.576 0 1 EKAF C/C=C1\C([C@@]2(C)CCCC(C)(C)C2)=CC[C@H]2CO[C@H](OC(C)=O)[C@@H]12 135720940 PJDVTRLTGORAAO-HWTLHDALSA-N 332.484 5.021 0 1 EKAF CN(C)c1ccc([C@@H](C[C@@H](N=O)c2ccccn2)c2ccccc2)cc1 169730256 FZNROVUGDZJOBI-RBBKRZOGSA-N 345.446 5.177 0 1 EKAF CC(C)=CCC/C(C)=C\COC(=O)Nc1ccc(C(C)(C)C)cc1 299824998 UHCLTGIUJYTOSV-VKAVYKQESA-N 329.484 6.225 0 1 EKAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ccccc2[nH]1 587040413 KYKAARAQXARCOE-UHFFFAOYSA-N 343.455 5.408 0 1 EKAF Clc1ccc(-n2cccc2)cc1-c1nc2cc3ccccc3cc2[nH]1 587052670 HIPKFKBBMHONQV-UHFFFAOYSA-N 343.817 5.827 0 1 EKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(C)n1 587108083 YDJXZDJARRUINC-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF Cc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C 587134113 ICHBYDMBABWIRF-ARJAWSKDSA-N 338.279 5.046 0 1 EKAF Cc1ccc(C)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587163885 MRTLARSLBGKGOM-SFQUDFHCSA-N 348.446 5.969 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1C[C@H]3[C@@H]2CCC[C@@H]12 587206055 AGYAFSLHOQSPAV-COCCGSRQSA-N 337.422 5.447 0 1 EKAF COc1cc2c3c(c1)O[C@@](CCC1CCCC1)(C(C)(C)C)[C@@H](C2)C3=O 587443532 RANIAVAUFUFVFA-HTAPYJJXSA-N 342.479 5.198 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccco3)[nH]c12 587624688 RKKNYQSXAWFVDZ-UHFFFAOYSA-N 327.689 5.135 0 1 EKAF Fc1ccc(-c2csc(Cc3ccc(Br)cc3)n2)cc1 587923195 UISKPIDNKDXWGS-UHFFFAOYSA-N 348.240 5.303 0 1 EKAF Fc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c(F)c1F 587962149 SXQZTLFTIPHLBW-UHFFFAOYSA-N 338.332 5.238 0 1 EKAF CCC[C@]1(c2ccc(F)cc2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942704 BVUNERKCNSEEJU-HTAPYJJXSA-N 336.454 5.275 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccco3)cc2)N1 962964902 ZBHCKGOUCLJSBG-HTAPYJJXSA-N 342.442 5.442 0 1 EKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C=C3[C@@H](CC[C@H]3C)C(C)=CC[C@@H]12 2356719781 HVZVENPVUYEHDQ-YBYRSOCQSA-N 340.595 7.724 0 1 EKAF Fc1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccncc2)cc1 13491681 KZLCRRAGBNSUBK-UHFFFAOYSA-N 343.405 5.063 0 1 EKAF CN(C)CCCCN1c2ccccc2Sc2ccc(Cl)cc21 29486868 MGBWAEXUKBVUEM-UHFFFAOYSA-N 332.900 5.285 0 1 EKAF O=C(CCCCCCc1ccccc1)c1nc(-c2ccncc2)co1 40861512 BOPKKKHUCAPEJT-UHFFFAOYSA-N 334.419 5.113 0 1 EKAF O=C(C[C@H](Sc1ccccc1)c1ccc(O)cc1)c1ccccc1 72114126 IVGMOQKGKBEPMO-NRFANRHFSA-N 334.440 5.499 0 1 EKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@]1(C)Cc1ccco1 103274579 DWBDZZUMZBTVEC-RBZQAINGSA-N 336.519 6.656 0 1 EKAF CN(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1 167035474 TYRKYMFNEBNXMH-NTCAYCPXSA-N 325.415 5.501 0 1 EKAF CC(=O)O[C@@]12CC=C3C=C(C(C)C)CC[C@@H]3[C@@]1(C)CCCC2(C)C 238757686 QXGOVOYQEWWNSG-KSEOMHKRSA-N 330.512 5.827 0 1 EKAF Clc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048333 HEKDWDHLQGNCIF-SFYZADRCSA-N 338.625 5.189 0 1 EKAF CC(C)(C)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2n1 587131570 OHZYMFCJYCNMGL-UHFFFAOYSA-N 341.405 5.137 0 1 EKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587163027 ZIWWMFFZHDPTSO-NWDGAFQWSA-N 338.279 5.131 0 1 EKAF CCC(=O)Nc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587921335 URPGYMXMAVELCD-UHFFFAOYSA-N 342.851 5.479 0 1 EKAF Clc1cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587950093 PGZHYPQWLNHAOL-KHPPLWFESA-N 347.805 5.574 0 1 EKAF COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1F 587951339 YPQQRJXTZDFDSP-UHFFFAOYSA-N 348.377 5.094 0 1 EKAF Cc1oc2ccccc2c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962667923 MZVBQEBZMJQTII-DEOSSOPVSA-N 339.438 5.643 0 1 EKAF CC(C)(C)n1nccc1-c1ccc(Oc2nccc3occc23)cc1 1857772217 VEXDLNHCJCAYRH-UHFFFAOYSA-N 333.391 5.239 0 1 EKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCC=CCCC(=O)O 2356374733 DDCYKEYDTGCKAS-OAQYLSRUSA-N 344.495 5.520 0 1 EKAF O=Cc1ccc([C@@H](C[N@@]2CC23CCCCC3)C2CCCCC2)cc1 2356777167 OELMYHZWMSUJPW-GMAHTHKFSA-N 325.496 5.182 0 1 EKAF CCCC[C@@H]1Cc2cc(OC)ccc2-c2nc3cc(OC)ccc3n21 12947894 ZEINRHGVJANZKP-OAHLLOKOSA-N 336.435 5.008 0 1 EKAF CCCCCn1c(C)c(C(=O)Cc2ccc(OC)cc2)c2ccccc21 28460497 RNQWQIZOTKYEKJ-UHFFFAOYSA-N 349.474 5.574 0 1 EKAF in-vivo O=C(O)CCc1ccc(OCc2ccccc2Oc2ccccc2)cc1 59714581 JOKNYDGDJBLSHN-UHFFFAOYSA-N 348.398 5.075 0 1 EKAF O=C1CCCc2nn(-c3cccc(Cl)c3)c(C3CCCCC3)c21 73221926 UIUFXUYZXXKPSJ-UHFFFAOYSA-N 328.843 5.092 0 1 EKAF C/C(=C\CC(=O)[C@@H](C)CCCc1ccoc1)CCCc1ccoc1 140170380 XXQCMYPZCMWAET-GONKEYIRSA-N 328.452 5.760 0 1 EKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C=C3[C@@H](C)CC[C@@H]3C(C)=CC[C@@H]12 238785362 HVZVENPVUYEHDQ-LJUDRSLLSA-N 340.595 7.724 0 1 EKAF Fc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1F 587053267 AXZZFNKTEYASNP-PLNGDYQASA-N 325.145 5.318 0 1 EKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(C)c2[nH]1 587063034 ZRWAYBZZIKTMAS-CQSZACIVSA-N 335.234 5.708 0 1 EKAF Clc1ccc([C@H]2CCCCc3c2nc2cccc4c2c3CC4)cc1 587209009 FGRRGQMDMKEATF-QGZVFWFLSA-N 333.862 5.845 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1F)CC2=O 587465506 FGAIQMJPNACSGD-IBGZPJMESA-N 348.801 5.018 0 1 EKAF Cc1ccc(C[C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521961 DSLSAPCKSACUKY-DEOSSOPVSA-N 346.470 5.231 0 1 EKAF O=C1C[C@@H](c2cccc3c2CCCC3)Oc2c1ccc1c2CCCC1 587527967 YAHQYYXYWHETFI-QFIPXVFZSA-N 332.443 5.151 0 1 EKAF CC(C)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cccc(Cl)c1 587628543 NMJCFZBEQKFUSH-UHFFFAOYSA-N 336.237 6.479 0 1 EKAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cccc(F)c12 587635990 WDZXJSKFEHDUBD-UHFFFAOYSA-N 330.362 5.226 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(Cl)c(C)c3[nH]2)cc1 587960325 ZLBUYNPUAVHGEO-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF c1ccc(-c2cccc(Cc3nc4cnc5ccccc5c4[nH]3)c2)cc1 587962118 RVYSAHDLCLHFLU-UHFFFAOYSA-N 335.410 5.369 0 1 EKAF Cc1nc2ccccc2c(-c2ccccc2)c1[C@@H](OC(C)(C)C)C(=O)O 1857650294 MURWOQVPRQKMLZ-HXUWFJFHSA-N 349.430 5.151 0 1 EKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@@H]2C1(C)C 2356467167 FVVNLEXAZHEDCJ-NXLVEIQXSA-N 348.527 5.046 0 1 EKAF CC[C@@H](CC=CCCC(=O)O)CCCCCC[C@H]1C=C(CCN)CC1 2356565800 LSOXKPCHPZASBZ-WOJBJXKFSA-N 349.559 5.850 0 1 EKAF Cc1cccc(C)c1NC(=O)NCC1(c2ccccc2)CCCCC1 13833499 CEWSPMPPZHRODM-UHFFFAOYSA-N 336.479 5.327 0 1 EKAF CC(=O)[C@@]1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26260675 UFIQEZHBGZCWRS-JOLMYRCBSA-N 328.496 5.114 0 1 EKAF O=C(O)CCCCCCCc1ccc(CCCc2ccccc2)s1 26940047 FVZGXDTWYGXELT-UHFFFAOYSA-N 344.520 5.891 0 1 EKAF C[C@H](CC(C)(C)C)Oc1cccc2ccc(N3CCCCC3)nc12 28383593 MOOYJBQTORITPK-MRXNPFEDSA-N 326.484 5.429 0 1 EKAF CCCc1ccc([C@@H]2NCc3c(Cl)cccc3-n3cccc32)cc1 28460966 URAHOLGAXYVGLQ-NRFANRHFSA-N 336.866 5.276 0 1 EKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1cccc(OC)c1 38542841 UBQSWHCCGDHDKF-QHCPKHFHSA-N 348.490 5.096 0 1 EKAF CCCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(C)C)cccc21 58592030 MOXNEMZQUOGGGH-UHFFFAOYSA-N 334.507 6.750 0 1 EKAF Fc1cccc(Oc2cc(NCc3cccc4ccccc34)ncn2)c1 82067830 GISRQCVTTBEIJH-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF Cc1ccc(NC(=S)Nc2nc3c(ccc4ccccc43)s2)cc1 103293537 RVSIEIZTYTWVIU-UHFFFAOYSA-N 349.484 5.567 0 1 EKAF CC(C)(Br)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1 169335221 WPIYPWJRPPSRSV-UHFFFAOYSA-N 337.644 5.363 0 1 EKAF CC1=C(C)C(Cc2occ(C)c2COC(=O)C/C=C(/C)O)=CCC1 238743659 FVWXABANHCYFTJ-NVNXTCNLSA-N 330.424 5.082 0 1 EKAF CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@H](C(C)C)CCC(C)=CCC1 253778552 IZTPZZVRYDCHRL-SFTDATJTSA-N 342.479 5.656 0 1 EKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586888534 KNGZGWNUHCSYRQ-HWPZZCPQSA-N 335.234 5.015 0 1 EKAF Cc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Cl 586894589 NMUQVGUPSKCFNP-UHFFFAOYSA-N 336.907 5.570 0 1 EKAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587049962 KTEVWIICPCCWMT-UHFFFAOYSA-N 341.842 5.139 0 1 EKAF Clc1[nH]c2ccccc2c1-c1nc2ccc(Br)cc2[nH]1 587087118 HWXGMOANWDMJLR-UHFFFAOYSA-N 346.615 5.127 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C1CC1)CCC4)-c1ccccc1C2=O 587101398 SRMWNAXBEDSNOQ-HNNXBMFYSA-N 339.438 5.585 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](c3ccccc3)C1)CC2=O 587485332 UPHZUNWCJQTUOI-OPAMFIHVSA-N 336.431 5.016 0 1 EKAF C[C@H](C1CCCCC1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525271 RLEPXHATOKKKNV-IVZQSRNASA-N 326.480 5.506 0 1 EKAF COc1c(-c2cccc(Cl)c2F)[nH]c2cc(Cl)c(F)cc12 587629480 RRQRBMJLWOXDIK-UHFFFAOYSA-N 328.145 5.429 0 1 EKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587637918 GOJONQSHWBMETC-UHFFFAOYSA-N 327.811 5.484 0 1 EKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587930769 PRHPGUNGKOCCPU-AOMKIAJQSA-N 334.463 5.314 0 1 EKAF COc1cccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587931958 RTBCOPCXWMVVAH-UHFFFAOYSA-N 346.455 5.314 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587932197 VNRBTGOFCQRRPQ-KZULUSFZSA-N 347.245 5.324 0 1 EKAF Cc1c(F)ccc2c1[C@](CC(C)(C)C)(c1ccc(F)cc1F)NCC2 962369953 BYNVDUAFXXPNGC-NRFANRHFSA-N 347.424 5.238 0 1 EKAF CC1=C(C[C@@H]2NCCc3cc(-c4ccccc4)ccc32)C(C)(C)CCC1 962673148 XNLMWTPGQLMFGS-DEOSSOPVSA-N 345.530 6.457 0 1 EKAF C(=C/c1ccc2c(c1)OCO2)\c1ccc(OCc2ccccc2)cc1 1857635970 RKLMPMATEDAKOL-VOTSOKGWSA-N 330.383 5.165 0 1 EKAF CCN(CCCCc1ccccc1)[C@@H]1CCc2ccsc2CC1 1911580474 OYGHKCXDQJIARA-HXUWFJFHSA-N 327.537 5.340 0 1 EKAF CCCC=CCC=CCCCCCCCCCc1ccc(C=O)[nH]1 2356453830 NRDUSLDTXLXXNM-UHFFFAOYSA-N 329.528 6.793 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccon1 13765678 ZHAAOWWJHBCHFK-SPHVDITISA-N 341.495 5.082 0 1 EKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C 26382499 FOQPVSQLQDGLCS-IRXDYDNUSA-N 332.459 5.685 0 1 EKAF CCCCCCN1Cc2cc3c(cc2-c2cccc(CC)c21)OCO3 28641931 JKCDKQWEQMUWEJ-UHFFFAOYSA-N 337.463 5.545 0 1 EKAF C[C@H](CN1[C@@H](C)CCC[C@H]1C)c1cccc(C(=O)c2ccccc2)c1 29410122 MSOLWIXKJYSHSW-QRVBRYPASA-N 335.491 5.284 0 1 EKAF CCCCCc1cc2c(c3oc(C)cc13)-c1cc(C)ccc1C(C)(C)O2 32287118 BYFYIHMZGIRUNO-UHFFFAOYSA-N 348.486 7.077 0 1 EKAF biogenic Clc1ccc([C@H](CCc2ccccc2)Cn2ccnc2)c(Cl)c1 33493893 KWVXISRJXXQACH-MRXNPFEDSA-N 345.273 5.607 0 1 EKAF COC(=O)CCCCCCC/C=C\CCCCCCCC(=O)OC 38356923 HGGLIXDRUINGBB-ARJAWSKDSA-N 340.504 5.350 0 1 EKAF CC(C)=C1CC[C@@H](C)[C@@](C)(Cc2c[nH]c3ccccc23)[C@@H]1CCCO 49070196 XKDCSKJZLVZVRD-ODOSVJCGSA-N 339.523 5.872 0 1 EKAF O=C1c2cccc(Cl)c2C(c2ccccc2)c2c(Cl)cccc21 64393148 VSSOQYISHZBIEA-UHFFFAOYSA-N 339.221 5.718 0 1 EKAF Cc1c(-c2cccc3cc[nH]c23)cc2c(c1C)NC(C)(C)[C@H](O)[C@H]2C 66098023 KXNPOCDDDALEBH-LHSJRXKWSA-N 334.463 5.120 0 1 EKAF Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1 72181332 GEJJRBDCCFHTMM-UHFFFAOYSA-N 335.472 5.901 0 1 EKAF C[C@@H]1CCC[C@@H](NCc2coc(-c3cccc4ccccc34)n2)[C@@H]1C 72186228 SGASSMMBMACOAI-WHSLLNHNSA-N 334.463 5.409 0 1 EKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2)o1 82162533 NPTUOYGNLSVUPR-KSSFIOAISA-N 348.450 5.098 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586883578 KZELYKWJGRKNGE-UHFFFAOYSA-N 342.320 5.590 0 1 EKAF FC(F)(F)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085597 WCJFJCJMEVSXAU-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF CCC[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101977 YAIAYJBGMXNMPW-HNNXBMFYSA-N 341.454 5.975 0 1 EKAF O=C1c2ccccc2-c2c(CC3CCCCC3)cnc3cccc1c23 587206585 FMXUHGTYMPQMAN-UHFFFAOYSA-N 327.427 5.569 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 587564961 RLNVFYICAVHCQU-UHFFFAOYSA-N 347.821 5.017 0 1 EKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624859 VFIWYOIOWYHYHP-UHFFFAOYSA-N 341.735 6.263 0 1 EKAF CSc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956115 URGDKYUCHWEJIN-LJQANCHMSA-N 344.483 5.659 0 1 EKAF Cc1cc2c(cc1F)[C@](C)(c1ccc(-c3ccccc3)cc1)NCC2 962377749 SGKASXXYTQYKOX-QHCPKHFHSA-N 331.434 5.210 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCC[C@H]2CCc1ccccc1 963237906 HIXSGXWTIXCYQJ-PBXXJUDPSA-N 347.546 5.971 0 1 EKAF CC(C)Cc1ccc(-c2cccn3cc(-c4ccccc4)nc23)cc1 1911574187 PMMIASJVQGLJIS-UHFFFAOYSA-N 326.443 5.867 0 1 EKAF COc1ccc(OC)c(C[C@]2(C)C3=C(CC[C@H]2C)C(C)(C)CCC3)c1 2356815889 CWMPTLQOEZBEEN-MWTRTKDXSA-N 342.523 6.189 0 1 EKAF CCCc1cccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c1 13604795 QQQCOYYTOSHVOE-QFIPXVFZSA-N 340.463 5.227 0 1 EKAF CC[C@H](C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O 13765031 LIKRETBXJYZCFC-INIZCTEOSA-N 344.458 5.089 0 1 EKAF Cn1c2c(c3ccccc31)[C@@H]1CC[C@H](C2)N1CCCCc1ccccc1 13861326 WSPJJPNQUVUIAC-KNQAVFIVSA-N 344.502 5.263 0 1 EKAF CC/C(=C(/c1ccccc1)c1cccc(OC(C)=O)c1)c1ccccc1 26017140 XZPCZDLHLVESQU-WCWDXBQESA-N 342.438 5.981 0 1 EKAF FC(F)(F)c1nc2cc(Oc3cccc(Cl)c3Cl)ccc2[nH]1 53297788 GATAAHLEBYZPOW-UHFFFAOYSA-N 347.123 5.681 0 1 EKAF CCOc1ccc2c(c1)[C@@H]1CC=C[C@H]1[C@H](c1ccccc1Cl)N2 71296629 FQYIROYAGCRRBO-STXHMFSFSA-N 325.839 5.565 0 1 EKAF Cc1ccc(-c2nc(CN[C@@H](C)c3cccc4ccccc34)co2)cc1 72185705 HTRLVBDFOIPSMC-KRWDZBQOSA-N 342.442 5.654 0 1 EKAF c1ccc2c(-c3nc(CN4CC[C@H]5CCCC[C@H]5C4)co3)cccc2c1 299810865 PWVISLDROKLOPJ-MJGOQNOKSA-N 346.474 5.507 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cc(Cl)cs3)cs2)c1 473089011 QFGARQUESWFYGH-UHFFFAOYSA-N 338.910 5.412 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888961 KJHLHJKHJMYDTM-RBZFPXEDSA-N 333.460 5.743 0 1 EKAF COc1ccc(C=O)c2cc(-c3nc4c(C(C)(C)C)cccc4[nH]3)oc12 586904152 QPQNYFLPDAVSJA-UHFFFAOYSA-N 348.402 5.095 0 1 EKAF Cc1ccc(SCc2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)c1 586964565 HDXZFHXBPPHBKJ-UHFFFAOYSA-N 325.481 5.165 0 1 EKAF Cc1ccc(CSCCc2nc3cc4ccccc4cc3[nH]2)cc1 586971504 SVIAAFPSEZQBCK-UHFFFAOYSA-N 332.472 5.500 0 1 EKAF Cc1ccc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587565833 VIAYLGHNXUIJGR-UHFFFAOYSA-N 340.732 5.123 0 1 EKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587624476 NDMIZQGKNCBXFX-UHFFFAOYSA-N 348.229 5.627 0 1 EKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CCCCC1 587865784 IWGIAQPHFOVWEU-UHFFFAOYSA-N 338.373 5.473 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587930772 PRHPGUNGKOCCPU-KSFYIVLOSA-N 334.463 5.314 0 1 EKAF CCCCC=CCCCCCCCCCCCc1cc(O)cc(O)c1 2356489120 KDUIMXINOLVPCT-UHFFFAOYSA-N 346.555 7.288 0 1 EKAF CC(=O)O[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 2356654553 BQPVGKNJJQUGFW-VLGKBPARSA-N 344.539 5.763 0 1 EKAF Cc1ccc2oc(N[C@H](CC3CCCCC3)c3ccncc3)nc2c1 28007860 VHNRJSBBLAHPRL-GOSISDBHSA-N 335.451 5.655 0 1 EKAF c1ccc(-c2ccc3c(c2)[C@@H](Nc2nc4ccccc4[nH]2)CCC3)cc1 42888980 MJSHLQQAWDKNCC-FQEVSTJZSA-N 339.442 5.719 0 1 EKAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2C[C@@H](C)CC 82196929 UJESSOBDKMTFOH-HNNXBMFYSA-N 345.535 5.378 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc1 586879053 CXVUQARICMIGRR-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF CCCCC1CCC(c2nc3cc(C)cc(Br)c3[nH]2)CC1 586886222 BGLJOBVPYYRIED-UHFFFAOYSA-N 349.316 6.098 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)CC3)c1 587366905 OCKMKQSTZZWSIM-UHFFFAOYSA-N 343.426 5.880 0 1 EKAF Cc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524068 JXHLDLYZDPSKAJ-QFIPXVFZSA-N 342.438 5.734 0 1 EKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(F)cc2)cc1 587634766 QRFUTIUKTVGNAN-UHFFFAOYSA-N 335.353 5.789 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587930284 NWPJMBBYYULGFC-ACJLOTCBSA-N 346.352 5.036 0 1 EKAF COc1ccc(Nc2nc(-c3oc4ccccc4c3C)cs2)nc1 621429211 FCLNZIPYPNQCCV-UHFFFAOYSA-N 337.404 5.012 0 1 EKAF C[C@@H]1CCCN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1 653687433 GJHUCBNPJGLNRZ-GOSISDBHSA-N 348.490 5.337 0 1 EKAF CC/C(=C/c1ccc(OCCN(C)C)cc1)c1ccc(Cl)cc1 1911571577 WLIPAJWQQJYDPZ-ICFOKQHNSA-N 329.871 5.231 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C 20727 UPRIRBSLPMEJHK-UHFFFAOYSA-N 343.467 5.684 0 1 EKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@@H]2c2ccc(O)cc2)CCC1 100636002 FKSXTBKQELDEJS-NRFANRHFSA-N 341.410 5.759 0 1 EKAF CC1(C)C=Cc2cc(-c3cc(O)c4c(c3)C=CC(C)(C)O4)ccc2O1 147974474 MCFNMYNIZCFNFK-UHFFFAOYSA-N 334.415 5.428 0 1 EKAF Clc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1 299824077 ANYGNVAFEYMSNJ-UHFFFAOYSA-N 342.851 5.314 0 1 EKAF Cc1ccc(SCc2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1 586963743 OFUDLKHZQNZCST-UHFFFAOYSA-N 336.382 5.491 0 1 EKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(F)c2[nH]1 587112364 GGCYGBMSBOLTKL-SECBINFHSA-N 340.295 5.206 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587250923 SFQPDRQVJWIEGV-UHFFFAOYSA-N 336.398 5.027 0 1 EKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2ccc(F)c(Cl)c12 587628049 GIBLAGYPAQXWTP-UHFFFAOYSA-N 344.600 5.948 0 1 EKAF O=C(c1c(-c2cccc(Cl)c2)[nH]c2cccc(F)c12)C(F)(F)F 587633742 KQOOLTCRRVIUEY-UHFFFAOYSA-N 341.691 5.372 0 1 EKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cc1C 587633971 RBUYQSAAENVCKR-UHFFFAOYSA-N 335.300 5.336 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(N(C)C)cc3)c2c1 587640468 AOHDTEQCPALSJF-CQSZACIVSA-N 349.478 5.308 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C(=O)O)ccc3F)c(C)c2c1 587643470 URFRKZIRCQKPBE-NSHDSACASA-N 325.383 5.494 0 1 EKAF c1ccc(COc2cccc3nc(CC4CCCCCC4)[nH]c23)cc1 587960057 DYWWYKSOVAHKBW-UHFFFAOYSA-N 334.463 5.655 0 1 EKAF CC[C@H](C)[C@H]1CCCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963118314 FKXFWNRWGSHMJK-PNPHSEOMSA-N 326.311 5.571 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCc1cc(O)cc(O)c1 2356300709 MSBVJZQLFJGRSQ-GOSISDBHSA-N 336.516 5.702 0 1 EKAF Cc1ccc(C=C(Oc2ccccc2)c2nc3ccccc3s2)cc1 2356315276 JXEWAZMMVUWQMH-UHFFFAOYSA-N 343.451 6.182 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C[C@]21C=C3C 2356603279 FDYRTDQCHYCUAP-IGKKOWRNSA-N 330.512 5.517 0 1 EKAF CC(=CC=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2356692294 QISFQSCEYMPVBC-IOMROCGXSA-N 326.480 5.650 0 1 EKAF CC(=O)O[C@H](C[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C)C(C)=CCO 2356729642 XXKXYCZWYIZXHT-NXLVEIQXSA-N 348.527 5.046 0 1 EKAF CCCC1CCC2(CCC(=O)N2CCSc2ccccc2)CC1 96019225 QDWSTUWNQIGQFV-UHFFFAOYSA-N 331.525 5.130 0 3 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@@]1(C)CC[C@H]2[C@@H]1[C@@H]4C2(C)C 13376902 YNDNDGLKKJXJED-XCWPBDPYSA-N 331.459 5.930 0 1 EKAF in-man Cc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1 14979823 YZPFUMWLNJIYQL-UHFFFAOYSA-N 348.446 5.421 0 1 EKAF Cc1ccc(Oc2cc(C)c(Cl)cc2CC(=O)O)c(Cl)c1 28767346 DWYYEDWDKZJBTK-UHFFFAOYSA-N 325.191 5.030 0 1 EKAF Cc1ccccc1[C@H](Cc1ccc(Cl)cc1Cl)Cn1ccnc1 33493855 LTDDIFVIJSDGRA-MRXNPFEDSA-N 345.273 5.525 0 1 EKAF CC(C)N(Cc1ccccc1)Cc1coc(-c2ccccc2Cl)n1 64399565 CNPOSBWUMNRBBZ-UHFFFAOYSA-N 340.854 5.406 0 1 EKAF Fc1ccc(-c2csc3c(-c4cncnc4C4CC4)ccnc23)cc1 205214036 RICILNMBDFRMHP-UHFFFAOYSA-N 347.418 5.437 0 1 EKAF CSc1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586895029 LOXPIXFBYMUJSP-UHFFFAOYSA-N 334.529 5.331 0 1 EKAF Fc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1F 587076724 MMVKHVUQLXYVNS-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF CSc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085726 DGEAZBWAHOWVJG-UHFFFAOYSA-N 325.824 5.153 0 1 EKAF CCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099497 LCAIOYUGDCWUKE-UHFFFAOYSA-N 329.443 5.877 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587164509 SRPZVEGGFCQTRE-UHFFFAOYSA-N 348.324 5.515 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3cc(C)ccc13)CC2=O 587485342 RWIFGPXPIZBHGA-FQEVSTJZSA-N 349.430 5.149 0 1 EKAF Cc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522514 IKJZJOJAVJHUGG-QHCPKHFHSA-N 334.459 5.231 0 1 EKAF CC[C@@H]1S[C@H](C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C 587537475 FTJWQMKBVIIUGT-WVXNDRGBSA-N 344.520 5.210 0 1 EKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)cc1 587630657 OGLJQRGLMCLMML-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3cc(Cl)ccc3O)c2c1 587639661 BGPCKUMZYATNBS-LLVKDONJSA-N 341.838 5.580 0 1 EKAF CC(=O)O[C@@H]1C[C@]2(C)C(=C3CC=C(C)CC[C@]31C)CC[C@@H]2C(C)C 2356397070 FTFLXFWZKWKBEX-CIQXWFTPSA-N 330.512 5.827 0 1 EKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3[C@H](C)CC[C@H]12 2356478925 YDDRLCGKYATUCE-RWFIQJRYSA-N 346.643 7.964 0 1 EKAF O=C(O)C=CC[C@@H]1[C@@H]2C=CC=C[C@@H]2[C@@H]1CC=CC=Cc1ccccc1 2356614610 AUNSFXNQIFBBRL-CBPXPLCBSA-N 332.443 5.281 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H]1C 2356688836 OCOYHOXMCJVVSI-BZSOYRFXSA-N 330.468 5.007 0 1 EKAF CC=C1[C@@H]2[C@H](CC[C@@H]1[C@@]1(C)CCCC(C)(C)C1)CO[C@@H]2OC(C)=O 2356802577 SKLIPPOIEUJEDF-UJVKHXRXSA-N 334.500 5.101 0 1 EKAF CC(C)(C)NC(=S)Nc1cc(C(F)(F)F)c(Cl)cc1Cl 150691 CZHCJFFFKBUNGP-UHFFFAOYSA-N 345.217 5.097 0 1 EKAF CC(C)=CCC[C@@]1(Sc2ccccc2)C(=O)OC[C@H]1C=C(C)C 1862101 PHICXSXVRZDAIF-XLIONFOSSA-N 330.493 5.403 0 1 EKAF O[C@]1(c2ccccc2)[C@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 5732850 YZUUYMMQSJASJE-SONWIMMPSA-N 338.450 5.066 0 1 EKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)c1 13829936 IRFOEHYGMSKERJ-BYZLFZLASA-N 349.449 5.046 0 1 EKAF Clc1ccc([C@H]2C[C@@H](N3CCCCC3)c3ccccc32)cc1Cl 29487714 QFYBAQPQINYSLW-YLJYHZDGSA-N 346.301 6.056 0 1 EKAF CO[C@@H]1/C=C(\C)CC/C=C(\C)CC/C=C(/C)Cc2cc(O)c1cc2O 39159165 ZHZZOPYJIJGANS-DFQDDCOESA-N 342.479 5.741 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccc(F)c3)cc21 144719646 KTXCFNIOPGQFHI-IBGZPJMESA-N 344.307 5.271 0 1 EKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCC3)ncc2c1 169699919 ISLHMGXZKZDCEV-UHFFFAOYSA-N 348.421 5.478 0 1 EKAF CCCCCc1oc(/C=C/CCCCCCC(=O)OC)c(C)c1C 238779529 KHRZULHEQLVQNI-NTCAYCPXSA-N 334.500 6.156 0 1 EKAF O=C1/C(=C\C=C\c2ccccc2)c2ccccc2N1Cc1ccccc1 474609791 VELVOYXHSYTAQT-GYPNLSDOSA-N 337.422 5.330 0 1 EKAF COc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1F 587054295 NZQFODFRLJLDNB-WAYWQWQTSA-N 337.181 5.188 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587153496 SMPMKXOKWZEDTM-UHFFFAOYSA-N 342.295 5.453 0 1 EKAF O=C1c2ccccc2-c2cc(C[C@H]3C[C@H]4CC[C@H]3C4)nc3cccc1c23 587206379 LTAUOJACNWKGCN-HRCADAONSA-N 339.438 5.425 0 1 EKAF CCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356781 RSJJEFBOVZZIKO-FPOVZHCZSA-N 342.410 5.085 0 1 EKAF Cc1cccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587405786 NHPJVQWIWAOKDE-QFIPXVFZSA-N 343.426 5.259 0 1 EKAF C[C@@H](c1cccc(Cl)c1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505145 YPWAEOVDLLWVHS-RBZFPXEDSA-N 340.850 5.356 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629937 OGYMKSOLDBSERV-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF COc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949204 BAVHENHIDPEVAN-KAMYIIQDSA-N 342.398 5.534 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc3c(c2[nH]1)CCCC3 587951165 JYVDQPPTRJKWHA-HNNXBMFYSA-N 342.442 5.735 0 1 EKAF C/C(=C/c1nc2cc(Br)cc(F)c2[nH]1)C1CCCCC1 587967580 LFQFRJXXBSNPPV-YFHOEESVSA-N 337.236 5.448 0 1 EKAF CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C 2356603281 FDYRTDQCHYCUAP-WEOSFHGISA-N 330.512 5.517 0 1 EKAF CN1CCC(C2=C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 13833071 MVRLLCOTIWCMOM-LJQANCHMSA-N 341.857 5.350 0 1 EKAF c1ccc(NCc2ccc(CNc3ccccc3)c3ccccc23)cc1 28863034 BOYIDLLYXRSLBV-UHFFFAOYSA-N 338.454 6.064 0 1 EKAF O=c1oc(-c2ccc(O)cc2)cc(-c2ccccc2)c1-c1ccccc1 40429078 SUXZFFVDCGDMGX-UHFFFAOYSA-N 340.378 5.346 0 1 EKAF O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccnc2ccccc12 45168705 JIOCSYYHDJHTCU-UHFFFAOYSA-N 332.190 5.186 0 1 EKAF CCCOc1ccc([C@@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 49066904 DQFPBHOZJHNION-LVANHBEFSA-N 328.496 5.766 0 1 EKAF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 73221758 JWYUZWGPTXAZTJ-UHFFFAOYSA-N 337.806 5.314 0 1 EKAF CCc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167767019 LHGPHKKHPHNOID-UHFFFAOYSA-N 348.427 5.454 0 1 EKAF CC1(C)C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1(C)C 587206300 CFNPXEYBGQUNIT-UHFFFAOYSA-N 327.427 5.596 0 1 EKAF Clc1ccc([C@H]2CCc3c2nc2cccc4c2c3CC4)cc1Cl 587209086 JACMDEXRZUVCLJ-CYBMUJFWSA-N 340.253 5.718 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)co1)CC2=O 587479888 JVBOWEJIJOFLPV-NRFANRHFSA-N 348.398 5.311 0 1 EKAF Cc1ccccc1C1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587520847 BBVXORLQCLUWSM-UHFFFAOYSA-N 332.443 5.155 0 1 EKAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2c(C)cc(Cl)cc12 587624434 MCLWXDSTBUSJJS-UHFFFAOYSA-N 349.217 5.022 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3cccc(NC(C)=O)c3)c2c1 587643314 SYVHZINBRJPCEE-CYBMUJFWSA-N 348.446 5.179 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cccc3C)c2c1 587643425 UHPQLRKLPYSGPM-CYBMUJFWSA-N 334.463 5.859 0 1 EKAF COc1cc(C)ccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587925282 KZWGTTRCYXBWGJ-UHFFFAOYSA-N 340.732 5.219 0 1 EKAF Fc1ccc(NCc2ccc(CNc3ccc(F)cc3)s2)cc1 1857581527 GYBUHBTZXGHPFF-UHFFFAOYSA-N 330.403 5.251 0 1 EKAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 13357154 VNTGXCRNEJTLEX-LMRPSFLQSA-N 343.555 5.085 0 1 EKAF O=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl 66066273 FZAAMMCALJZXIN-AUWJEWJLSA-N 342.609 5.507 0 1 EKAF CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O 95589082 BZUWQISDPPBBPF-APWZRJJASA-N 339.479 5.047 0 1 EKAF COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3)ncnc12 95594022 KCETUEWWWRNPRE-UHFFFAOYSA-N 341.823 5.250 0 1 EKAF CO[C@]12CC[C@@]3(C)[C@H](CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 100829628 FCFUSYHGZLEMJM-PWXKWMLPSA-N 346.511 5.123 0 1 EKAF endogenous,in-man CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)N=O 169713374 YVIHCAGOLKNAHE-JGKLHWIESA-N 333.472 5.962 0 1 EKAF CC(=O)O[C@H]1CC(C(C)C)=CC=C(C)CCC=C(C)CC[C@@H]2O[C@@]12C 253664439 DGDSKYGEKMVUCF-FDFHNCONSA-N 346.511 5.515 0 1 EKAF CCC(C)(C)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586882209 VWQZMRSXCLQSQB-UHFFFAOYSA-N 348.425 5.242 0 1 EKAF Cc1ccc(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1 586963361 JDKLOVDPIATBIA-UHFFFAOYSA-N 338.810 5.404 0 1 EKAF Cc1cc(C)c2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521569 CTSNIUWJBHECCO-XMMPIXPASA-N 346.470 5.379 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587952386 PVJBCAYARGGLJR-YCPHGPKFSA-N 329.488 5.302 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2ccc(F)cc2F)N1 962949355 LTPGKZWHQKOPDA-SPLOXXLWSA-N 340.417 5.024 0 1 EKAF CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC 2356404888 ABGHYAFHPINIHF-UHFFFAOYSA-N 346.555 7.085 0 1 EKAF CCCCCC[C@@H](OC)[C@@H](C)CCCCCCCCCC(=O)OC 2356437985 OBCWEULYYNZUFM-VQTJNVASSA-N 342.564 6.292 0 1 EKAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C 2356495264 LNFUVCZSCYWOTA-VUEDXXQZSA-N 344.451 5.167 0 1 EKAF CCNC(=O)C[C@H](C)CCC[C@@H](C)CCC1=C(C)CCCC1(C)C 6385259 OILOTJCBEZVVOB-QZTJIDSGSA-N 335.576 6.262 0 1 EKAF CCCCCCC1(CCN(C)C)c2ccccc2CCc2ccccc21 26663359 DUNQYXLSANYWEM-UHFFFAOYSA-N 349.562 5.993 0 1 EKAF Cn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28234375 VJDVORCCRYTYRE-OAQYLSRUSA-N 347.849 5.180 0 1 EKAF CC1(C)CCC(C)(C)c2cc(/C=C\c3ccc(C(=O)O)cc3)ccc21 28474000 KXJOGQVGIGUXDY-WAYWQWQTSA-N 334.459 5.904 0 1 EKAF CCN(CC)c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 34042480 ZDVIBDKKBVOSKE-UHFFFAOYSA-N 333.391 5.015 0 1 EKAF COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(C(C)C)cc1)[C@H](C)C2 40934191 MSNFOTRDVKJSKL-CVEARBPZSA-N 339.479 5.339 0 1 EKAF CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=S)cc1 64549589 NJXWLLADWZLFRZ-NSHDSACASA-N 345.851 5.480 0 1 EKAF Fc1ccccc1CNc1cc(Oc2ccc3ccccc3c2)ncn1 82067699 YIKHNWFRJDKXDS-UHFFFAOYSA-N 345.377 5.173 0 1 EKAF CC(C)=CCC[C@@]1(C)C=C[C@@H]2c3[nH]c4ccccc4c3C=C(C)[C@H]2O1 238768215 SCNGJZKZHKFTAO-YSZBQJHXSA-N 333.475 6.129 0 1 EKAF Cc1cc(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883335 IUQYWZLNJQUFKF-PZOITXESSA-N 345.284 5.102 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)cc1 587015340 MSAKIKWKNNMSHV-UHFFFAOYSA-N 339.851 5.569 0 1 EKAF Cc1ccc(F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103629 LZWRQTJQLALXOC-UHFFFAOYSA-N 339.369 5.561 0 1 EKAF Cc1ccc(C)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc12 587145244 JLOFFECMHMNARM-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)CC[C@@H]1C(C)C 587488488 JWGGWKZNOXMLBD-SOIKWTOOSA-N 330.468 5.141 0 1 EKAF CCCCCC=CCC=CC=C[C@H](O)CC=CCC=CCCC(=O)O 2356475247 UTYSUTLIZWEFQS-NRFANRHFSA-N 346.511 5.744 0 1 EKAF CC(=O)OC(C)(C)[C@@H]1CC=C(C)CCC=C(C)C[C@@H](O)C=C(C)CC1 2356802308 SBZJHVNXTCIAGI-NHCUHLMSSA-N 348.527 5.498 0 1 EKAF COc1cccc(-c2cc3c(Nc4ccc(F)cc4)nccc3n2C)c1 74386880 JNWGMMSXBCPODD-UHFFFAOYSA-N 347.393 5.132 0 3 EKAF CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O 13434904 VXESUOYBWMDWCJ-CQSZACIVSA-N 346.467 5.050 0 1 EKAF endogenous,in-man C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13738449 SPARUJQOIBYQHO-UHFFFAOYSA-N 334.459 5.795 0 1 EKAF c1ccc(-c2cc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1 34800846 LEUPSQCQJOFTFI-UHFFFAOYSA-N 339.442 5.950 0 1 EKAF in-vivo CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)c1)c1ccccc1 38317988 PZCTXAXFFNZQQI-FQEVSTJZSA-N 348.446 5.416 0 1 EKAF Nc1ccc(SCc2csc(-c3ccc(Cl)cc3)n2)cc1 40918690 QOITXCJEXYCULA-UHFFFAOYSA-N 332.881 5.338 0 1 EKAF C/C=C/COc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3 45335565 VRGMZUXQIPKQOS-HQMUEHRGSA-N 333.475 5.174 0 1 EKAF in-vitro COC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 95582686 GUVWFKVPPWVNQP-UHFFFAOYSA-N 331.824 5.068 0 1 EKAF CCCCC1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 586888407 IUDHVNWXKLXCNJ-UHFFFAOYSA-N 340.446 5.352 0 1 EKAF Cc1ccc2c(ccc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc32)n1 587034149 PPIAVTFIDGJKDN-LLVKDONJSA-N 333.460 5.273 0 1 EKAF Fc1cnc(Cl)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 587056190 ZSUWIRAFNIYPHG-SNAWJCMRSA-N 342.588 5.228 0 1 EKAF COc1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587145786 QQJQCBXBSFQIJD-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1CCCC[C@@H]31 587208506 XJNWCYGLYNODER-HUUCEWRRSA-N 339.438 5.666 0 1 EKAF c1cc2c3c(cc(-c4ccc(SC5CCCC5)cc4)nc3c1)CC2 587216493 CHXOQIOJYFUFAW-UHFFFAOYSA-N 331.484 6.035 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H](C)C3)c1 587366871 NSMICTIUOFPVNE-LBPRGKRZSA-N 343.382 5.032 0 1 EKAF C[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502856 GCYFNXWGSXOHSS-HXUWFJFHSA-N 326.823 5.099 0 1 EKAF O=C1C[C@@H]([C@@H]2CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587525301 OBDRFNIAKWTPCZ-OFNKIYASSA-N 346.470 5.409 0 1 EKAF COc1cccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587532279 KPVKRKBABFWCMY-HXUWFJFHSA-N 348.398 5.027 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C)c2c1 587639151 OAGXICRQXYMPAY-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF CCCCc1ccccc1-n1nc(-c2cccc(F)c2)cc1OCC 587871645 LVZPWBWZKSSKLH-UHFFFAOYSA-N 338.426 5.420 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)cc1 587935474 LQHKTLYHLWRKFM-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cc1 587935562 NRKBZPUVGXNBFO-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc3ncccc3c2[nH]1 587950615 DECXLENRFNQQEP-AWEZNQCLSA-N 339.398 5.404 0 1 EKAF Cc1cc(Cl)cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962071 QLBMBEFSSOWQKK-UHFFFAOYSA-N 332.834 5.783 0 1 EKAF CCCCOc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@@H](C)CCC=C(C)C 84671172 BACQQDFNDYCELP-HBMCJLEFSA-N 342.567 7.537 0 1 EKAF FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)OCC2 205796106 VPLAFDBAMQZJCW-UHFFFAOYSA-N 345.364 5.228 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586888983 KJHLHJKHJMYDTM-XCLFUZPHSA-N 333.460 5.743 0 1 EKAF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3ccsc3)nc2c1 587026848 YYZZRODQWRARSJ-OWOJBTEDSA-N 328.746 5.467 0 1 EKAF COc1ccc2c(Cl)c(C(=O)c3coc4ccccc34)sc2c1 587281009 OJFWGQTUNQKVLG-UHFFFAOYSA-N 342.803 5.541 0 1 EKAF O=C1C[C@@H](c2cccc(-n3cccc3)c2)Oc2c1ccc1c2CCCC1 587516741 VNAJUUUGSGYPRS-QFIPXVFZSA-N 343.426 5.063 0 1 EKAF FC(F)(F)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cn1 587920379 IXMXDJOJNQJCFF-UHFFFAOYSA-N 340.757 5.544 0 1 EKAF c1ccc(-c2ccccc2Cc2nc3cnc4ccccc4c3[nH]2)cc1 587958512 GNYQAJWSBNJNPG-UHFFFAOYSA-N 335.410 5.369 0 1 EKAF CC12C[C@H]3CC(NC(=O)C4CCCCC4)(C[C@@H](C1)c1ccccc13)C2 653798451 XFTWQOSRWVEGGL-WVKNIADZSA-N 337.507 5.287 0 1 EKAF O=C(CCCN1CCCCc2ccccc21)c1ccc(Cl)cc1 1772587168 VQCCDELZXQYCEE-UHFFFAOYSA-N 327.855 5.146 0 1 EKAF Clc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccccc1 1857770798 ILHVTXWGCPHMGG-UHFFFAOYSA-N 338.882 5.329 0 1 EKAF COC1=CC(=O)O[C@@H](CCC=CC=C[C@H](C)C=CC(C)=CCl)C1 2356790154 FFQPDMLQLMDNCB-RDJZCZTQSA-N 336.859 5.060 0 1 EKAF COc1cccc2c1CCC[C@H]2CCCNCCCc1ccccc1 13745369 XMJMSAYPJNVDJI-FQEVSTJZSA-N 337.507 5.118 0 1 EKAF Clc1ccc(Sc2ccccc2)c(NCCN2CCCCC2)c1 13763962 FNKDGELORZKSNJ-UHFFFAOYSA-N 346.927 5.389 0 1 EKAF CN([C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)C(C)(C)C 13835790 RUFGGNDBOBTWQC-QFBILLFUSA-N 348.317 6.300 0 1 EKAF CC(C)(C)c1cc(/C=C/c2ccc(F)cc2)cc(C(C)(C)C)c1O 25985882 AUOKEZXZYUROIC-BQYQJAHWSA-N 326.455 6.297 0 1 EKAF CC(C)(c1cc(O)cc(Cl)c1)C(C)(C)c1cc(O)cc(Cl)c1 28756466 BVCUUMZATMXWSJ-UHFFFAOYSA-N 339.262 5.660 0 1 EKAF O=C(O)c1cc2c(C3CCCCC3)c(-c3ccccc3)[nH]c2s1 36350431 VLNRFOBEOKWKKS-UHFFFAOYSA-N 325.433 5.642 0 1 EKAF C[C@H](CC1CCCCC1)NC(=S)Nc1ccc(F)c(Cl)c1 42966672 HTJDFFWJRFMRRS-LLVKDONJSA-N 328.884 5.124 0 1 EKAF CC(C)c1ccc(CNCC[C@H](c2ccccc2)c2ccco2)cc1 49034200 DCKSTBSETURYFX-JOCHJYFZSA-N 333.475 5.715 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(C(C)(C)C)cc2)n1 72185811 HSMVGFCHIJPNRL-INIZCTEOSA-N 328.500 5.698 0 1 EKAF CC(C)(O)CCCCc1cccc(CC[C@]2(C)CC[C@@H](O)CC2)c1 100829962 IUJFMFOQXYKNOH-GRGXKFILSA-N 332.528 5.044 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C[C@@]43C)[C@@H]1CC=C2c1cccnc1 169267595 XZGMJHSOWUKXSJ-XWRGVIDISA-N 337.507 5.088 0 1 EKAF CCCCN(CCCC)C[C@@H](O)c1ccc(Cl)c2c(C)ccnc12 169338285 XEFGAPDDWUBGQQ-GOSISDBHSA-N 348.918 5.132 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1cc(O)cc(Br)c1O 238748055 CVVXCXYSCZBENF-KPKJPENVSA-N 325.246 5.096 0 1 EKAF CC(=O)O[C@@H]1C(=O)[C@@H]2[C@@H]1CCC=C(C)CC[C@@H]2[C@H](C)CCC=C(C)C 299808426 SOAIWELMVRCOAD-XNXZFIKKSA-N 346.511 5.252 0 1 EKAF Cc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1C 587075422 IYRSPLIUFXOFMB-SFHVURJKSA-N 339.870 5.170 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587124700 LESWSDHJKIAGRL-VMPITWQZSA-N 348.393 5.962 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1C 587145975 YFNFOCXWRUAPBB-UHFFFAOYSA-N 330.406 5.577 0 1 EKAF Cc1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587506062 OKLUPXLXIVPFRA-QGZVFWFLSA-N 344.813 5.373 0 1 EKAF Fc1ccc2[nH]c(C(F)(F)F)c(OCc3ccccc3)c2c1Cl 587630128 ULKPYXNVCDTIOX-UHFFFAOYSA-N 343.707 5.558 0 1 EKAF CC(C)Oc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922457 RVVLVFUPAZQJIJ-UHFFFAOYSA-N 331.387 5.543 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cnc3ccccc3c2[nH]1 587950635 DUYCSRNYGYEPMZ-AWEZNQCLSA-N 339.398 5.404 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587968825 UUHNYGQAMIEJOK-SAPNQHFASA-N 344.458 5.944 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H]([C@@H](C)CCC=C(C)C)C[C@H]21 2356485957 ZGRUAOBBKAMJBH-HJWIKWMHSA-N 348.527 5.633 0 1 EKAF CCOc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnco1 13490391 GSHOVVNHCBFGHB-UHFFFAOYSA-N 347.374 5.139 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCC(=O)O 13543119 TWSWSIQAPQLDBP-MLFLMRJSSA-N 332.528 6.997 0 1 EKAF CCc1cc(OC(CC)CC)c(C)c(Oc2c(C)cc(C)cc2C)n1 14974955 HSDGOVYHDBGUNQ-UHFFFAOYSA-N 341.495 6.237 0 1 EKAF Oc1c(Cc2cccc(Oc3ccccc3)c2)ccc2ccccc12 27199370 GYBNMVPCQRNIRW-UHFFFAOYSA-N 326.395 5.929 0 1 EKAF Clc1ccccc1CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28120571 VYYMVDIRMDQUOZ-SZPZYZBQSA-N 346.861 5.367 0 1 EKAF Oc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 34465494 QEDDROWYBFKZSH-OAQYLSRUSA-N 348.833 5.401 0 1 EKAF CC(=O)Oc1cc(C)c2c(c1)C(C)=CC(C)(C)N2Cc1ccccc1 66259340 PTYLEAYJGLBAAJ-UHFFFAOYSA-N 335.447 5.122 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)c3ccccc23)C[C@H]2CC[C@H]1N2C 100883023 RBRMVWHMOIEQRO-UMTYBPSHSA-N 349.518 5.509 0 1 EKAF CO[C@@]1(c2ccccc2)C=CC(C2CCCC2)(C2CCCC2)OC1 103215741 KGVQCJPZMAXLCF-NRFANRHFSA-N 326.480 5.234 0 1 EKAF CC(C)=CCC/C(C)=C/COCCOC1C2CC3CC(C2)CC1C3 169347381 SEEWRLRJRPDVJK-REZTVBANSA-N 332.528 5.537 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586883179 HOLAIIHXYGENOX-UHFFFAOYSA-N 326.321 5.710 0 1 EKAF CCc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020330 NOGYFUNKFUYTCH-UHFFFAOYSA-N 349.459 5.136 0 1 EKAF COc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1C 587050144 OUZLECHXYMHAIP-QWRGUYRKSA-N 347.245 5.458 0 1 EKAF CC(C)(C)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079183 ARSDPUOAYJVPLN-QGZVFWFLSA-N 326.827 5.190 0 1 EKAF Cc1ccc2c3c(c(CC(C)C)c(C4CC4)nc13)-c1ccccc1C2=O 587099581 NOONLECNTWVNGD-UHFFFAOYSA-N 341.454 5.831 0 1 EKAF OC1(c2nc3cccc4c3c(c2Cc2ccccc2)CC4)CCCCC1 587216156 UESPBDISKNYDRQ-UHFFFAOYSA-N 343.470 5.076 0 1 EKAF CCCC[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587379682 VXAFQNQXLUGFGQ-HXUWFJFHSA-N 343.854 5.282 0 1 EKAF C[C@]1(CCc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500836 DJVCTHUOYRVKDA-QFIPXVFZSA-N 338.422 5.061 0 1 EKAF O=C1C[C@H](c2ccc(F)c(F)c2Cl)Oc2c1ccc1c2CCCC1 587504341 IKQQKLFKFPVSNE-MRXNPFEDSA-N 348.776 5.204 0 1 EKAF C[C@]1(c2sccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587530648 GJJGATTWXYMVOW-GOSISDBHSA-N 332.852 5.161 0 1 EKAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2c(C)cc(Cl)cc12 587623855 ADDIUXWBOSVDNS-UHFFFAOYSA-N 334.202 5.375 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccccc1C(C)C 587631872 YDWOLCPECDSJNG-UHFFFAOYSA-N 344.817 5.645 0 1 EKAF CCC[C@@H](C)C[C@@H](C)C=C(C)C=C(C)c1oc(=O)c(C)c(O)c1C 2356484392 SAHYKMIMGJKBCR-ZIAGYGMSSA-N 332.484 5.774 0 1 EKAF CC(=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1)Cc1cc(C)co1 2356611399 VSUOGDPUZWQBKJ-JOCHJYFZSA-N 338.447 5.736 0 1 EKAF CCC1(CC)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 5964882 RVTQCGLEVRXMCP-ZLWSLIOBSA-N 344.539 5.296 0 1 EKAF c1ccc2c(c1)CCc1cc3cc4c(nc3nc1-2)-c1ccccc1CC4 12940522 GKXQGQRNXLFDOA-UHFFFAOYSA-N 334.422 5.161 0 1 EKAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21 13860664 VJEWIKPUMZOACV-QFIPXVFZSA-N 347.845 5.460 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@]1(C)CC[C@@H]2[C@H]1[C@@H]4C2(C)C 14859658 YNDNDGLKKJXJED-DTTQMBTESA-N 331.459 5.930 0 1 EKAF endogenous,in-man CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2cc(C)cc(O)c2C[C@H]1O 15120207 OELJEAVRDMYCHY-RMSJCPEYSA-N 344.495 5.228 0 1 EKAF C[n+]1c(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc2ccccc21 40874568 WVKCSOWMLXCKKB-OUKQBFOZSA-N 346.837 5.748 0 1 EKAF CCCCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1 40918840 QZTGWEZSZARWSX-BNMLGCERSA-N 342.523 6.773 0 1 EKAF Cc1cc2c(cc1NC(=O)/C=C/c1ccccc1)C(C)(C)CCC2(C)C 84655253 QDJBRKMRGKFUMB-VAWYXSNFSA-N 347.502 5.996 0 1 EKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccccc1Cl 84671677 KKYPVDWXGFTXDX-QFIPXVFZSA-N 346.861 6.331 0 1 EKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccccc2c1=O 84758307 YZNFGGTWPIWSFT-UHFFFAOYSA-N 329.374 5.310 0 1 EKAF Cc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)[nH]n2)c1 95563526 YZFFJGIRQNNTFG-UHFFFAOYSA-N 340.430 5.059 0 1 EKAF Cc1cccc(Nc2nc3cccc(-c4cccc(C(C)C)c4)n3n2)c1 96282542 GQCZJJYSVZVQLZ-UHFFFAOYSA-N 342.446 5.572 0 1 EKAF CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(CC)c21 96905988 ASRIIOGLKPAEDG-UHFFFAOYSA-N 337.438 5.568 0 1 EKAF c1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 100655660 SLVRVRBSUMQWAC-UHFFFAOYSA-N 328.419 5.464 0 1 EKAF O=C(O)CCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@H]3[C@@H]12 102184815 LXZYGXNGSMYQAG-GVEWUPEESA-N 330.512 5.366 0 1 EKAF CN(Cc1ccccc1F)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1 103046265 WFNKSKBXGDSPKW-HUUCEWRRSA-N 334.438 5.319 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/CN=O 169684382 FGUJMLVLDVILIG-IHJFQJIVSA-N 329.484 5.003 0 1 EKAF Nc1nc2cc3ccccc3c-2c(Nc2ccc(C(F)(F)F)cc2)[nH]1 169727971 BDHGAOVNQCLEJK-UHFFFAOYSA-N 342.324 5.012 0 1 EKAF Cc1cc(Cl)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587054751 QRNLPUCNYGPNQF-AATRIKPKSA-N 337.637 6.002 0 1 EKAF CC[C@H]1C[C@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206700 GVVVWZQFWXHCRL-KBPBESRZSA-N 327.427 5.522 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)cc(F)c2[nH]1 587240561 FTSNJHCIZZDECL-UHFFFAOYSA-N 347.393 5.430 0 1 EKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](CC(C)C)C1)CC2=O 587477548 CVCSYHYFASHKQB-YCRPNKLZSA-N 330.468 5.285 0 1 EKAF C[C@]1(CCc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505836 QFASUQUAMLCAJK-QFIPXVFZSA-N 338.422 5.061 0 1 EKAF CCC[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521137 CVNFJOHAUPARMF-HSZRJFAPSA-N 334.459 5.312 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3nc(-c4ccc(C)cc4)no3)c2c1 587644152 OIRMMXBNTDZFPV-AWEZNQCLSA-N 345.446 6.015 0 1 EKAF C(=C/c1cccc2ccccc12)\c1nc2cc3c(cc2[nH]1)OCCCO3 587966382 BSRJQHGXQDAIGM-MDZDMXLPSA-N 342.398 5.048 0 1 EKAF COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1 1772576747 QIWGWWQVDWHDJB-UHFFFAOYSA-N 333.416 5.111 0 1 EKAF Clc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)s1 1772601243 CYYLTKUYRWCFAP-UHFFFAOYSA-N 348.899 5.115 0 1 EKAF Clc1ccc(COc2cncc(-c3cccs3)c2)c(Cl)c1 1857655974 YZOUVKKLGWQBNZ-UHFFFAOYSA-N 336.243 5.696 0 1 EKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3[C@@H](C)CC[C@H]12 2356478924 YDDRLCGKYATUCE-GFFBQABNSA-N 346.643 7.964 0 1 EKAF CC=Cc1ccc(O[C@H](C)[C@@H](C)c2ccc(O)c(OC)c2)c(C)c1 2356504074 DGSFXPJUZQZPMR-HZPDHXFCSA-N 326.436 5.313 0 1 EKAF O=c1cc(-c2ccsc2)oc2ccc(-c3ccc4cc[nH]c4c3)cc12 61948122 JZYLGUXQBZSVHP-UHFFFAOYSA-N 343.407 5.670 0 3 EKAF CC(=O)O[C@@H]1CC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]2C1(C)C 13302160 PHSKKUGTTBRRRA-TUNNFDKTSA-N 344.495 5.087 0 1 EKAF biogenic CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)O 13543118 TWSWSIQAPQLDBP-QGDKPUJISA-N 332.528 6.997 0 1 EKAF CCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756288 XMTVISLAECGBLA-JMCHSHGGSA-N 342.567 6.715 0 1 EKAF CC/C=C/C/C=C/C/C=C/CCCCCc1cc(=O)c2ccccc2[nH]1 14639287 XQRHBYYYWPSSHF-IUQGRGSQSA-N 349.518 6.490 0 1 EKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(F)cc2C)c1C 14974987 HZUKGUULXSVBRC-UHFFFAOYSA-N 331.431 5.814 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 15120707 YMYBAWFGDGMZLY-IPJDOKCGSA-N 346.467 5.267 0 1 EKAF O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)cc1 34007529 SGNFVZHFDYJMIW-OAHLLOKOSA-N 334.872 5.099 0 1 EKAF CC[C@@H](c1ccc(O)cc1Cl)[C@@H](CC)c1ccc(O)cc1Cl 40639538 QMFXLTJKQUFMNV-ZIAGYGMSSA-N 339.262 6.092 0 1 EKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCCC)cc2)n1 72103867 CYFVZMRZYLRIRG-KRWDZBQOSA-N 344.499 5.579 0 1 EKAF COc1cc(NCc2cc3ccccc3s2)ccc1-c1cnco1 96935298 ZDSZKPPWAXKNLX-UHFFFAOYSA-N 336.416 5.177 0 1 EKAF Cc1ccc(C[C@]2(OCCN(C)C)CC[C@H](C(C)(C)C)CC2)cc1 102983364 CFWGNVBFLHVDSZ-GRGXKFILSA-N 331.544 5.091 0 1 EKAF C[C@@H]1CCC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 238741696 SIXYJDPYRIDYNC-UXXNGQCPSA-N 330.600 7.472 0 1 EKAF CC(=O)n1c2ccccc2c2cc(-c3cccc4ccccc34)nnc21 299822691 BXZOGLKCKAGGKG-UHFFFAOYSA-N 337.382 5.065 0 1 EKAF CS[C@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 584904828 OTONLNOSZVKIHK-IBGZPJMESA-N 326.461 5.205 0 1 EKAF in-vitro CCCC(Br)(CCC)c1nc2ccc(SC)cc2[nH]1 586971313 REVCEJIFFJKHHM-UHFFFAOYSA-N 341.318 5.475 0 1 EKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586992712 YGLIVPNIOVYMKL-UHFFFAOYSA-N 337.378 5.127 0 1 EKAF FC(F)(F)Sc1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587026484 UXVCLCSTBFVUAU-RJRFIUFISA-N 326.368 5.407 0 1 EKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587048552 IIGAWFGMCVPUND-VHSXEESVSA-N 343.217 5.017 0 1 EKAF COc1cccc(-c2c(C3COC3)c(C)nc3c2oc2ccccc23)c1 587366967 SJVIBQLHMYIMPK-UHFFFAOYSA-N 345.398 5.079 0 1 EKAF CCCc1c(O)ccc2c1OC1(CCCCCCCCCC1)CC2=O 587476865 BRMZMAAIHKJJIO-UHFFFAOYSA-N 344.495 5.963 0 1 EKAF CC(C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521943 GSPKMLPWECZCKZ-HSZRJFAPSA-N 334.459 5.569 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(Cl)ccc1O 587624887 VXHXUPCWVPFMFU-UHFFFAOYSA-N 334.202 5.028 0 1 EKAF CCCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920042 BFKWZNNRKGURJT-UHFFFAOYSA-N 329.852 5.919 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc3nc(C)ccc3c2[nH]1 587951889 JJYTYFBOAQOSJA-WTANOLMUSA-N 337.467 5.466 0 1 EKAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)CC[C@H]1[C@H](C)CCC=C(C)C 2356377903 OTJQNVRXLNWAOT-XYEHWOGUSA-N 348.527 5.354 0 1 EKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)CC[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356411798 ZETHHMPKDUSZQQ-UMBQZNGKSA-N 348.527 5.633 0 1 EKAF O=C(O)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 28766847 VDTRTTDUCYOYPM-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF CCc1[nH]c(=S)n(Nc2cccc(Cl)c2)c1-c1ccccc1 33493430 IXRDXZITDYZFOF-UHFFFAOYSA-N 329.856 5.304 0 1 EKAF O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(/C=C/c3ccccc3)c21 43080396 ZPNXTAJKEFNJMW-VIOKTNGOSA-N 342.394 5.269 0 1 EKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1nccs1)N2 49046186 PLWPCJPGGKYBQI-XKQJLSEDSA-N 328.481 5.075 0 1 EKAF Cc1c(C)c2c(c(-c3cc(-c4ccccc4)on3)c1O)CCC(C)(C)O2 72110974 YUDNSGHFOXIFGS-UHFFFAOYSA-N 349.430 5.435 0 1 EKAF COc1ccc([C@H](Nc2ccccc2)c2c(C)[nH]c3ccccc23)cc1 84729765 XUEXVGQESDMUCX-QHCPKHFHSA-N 342.442 5.686 0 1 EKAF c1ccc([C@H]2O[C@@H]3c4cccc5cccc(c45)[C@@H]3N2c2ccccc2)cc1 103132800 XQVNBWQUBGRWCR-ISJGIBHGSA-N 349.433 6.171 0 1 EKAF CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nnc(-c2ccc(Cl)cc2)o1 103275816 JOJCXIAKLCKOAS-JQWIXIFHSA-N 343.641 5.449 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccon1 118922546 ZHAAOWWJHBCHFK-GIPCDWCDSA-N 341.495 5.082 0 1 EKAF CCCCC1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 586888959 KIZIWAYFJMWPRY-UHFFFAOYSA-N 336.277 5.184 0 1 EKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)cc(C)c2[nH]1 587067167 WNRSVXIMOMEERJ-UHFFFAOYSA-N 349.261 5.498 0 1 EKAF CC1(C)CCSc2ccc(-c3cc4c5c(cccc5n3)CC4)cc21 587360101 LNFFRMGZACBSKM-UHFFFAOYSA-N 331.484 5.774 0 1 EKAF COCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362852 LYRQAZDNOKPQRE-UHFFFAOYSA-N 347.414 5.154 0 1 EKAF CSc1ccc(-c2csc(-c3ccc(Cl)cc3N)n2)cc1 587925287 QWKJTZDIXCTFSE-UHFFFAOYSA-N 332.881 5.435 0 1 EKAF CCCN1[C@@H](c2ccc(-c3ccccn3)cc2)c2ccccc2C[C@H]1C 963258611 PJTZEKMADHWPQE-KOSHJBKYSA-N 342.486 5.495 0 1 EKAF CCCCCC=CCC=CCC=CCCCCc1cc(O)cc(O)c1 2356807688 YABYVJPKSFTCBG-UHFFFAOYSA-N 342.523 6.840 0 1 EKAF c1ccc2c(c1)COC21CCN(CCCCC2CCCCC2)CC1 13741536 NHECUYJWUCKGPW-UHFFFAOYSA-N 327.512 5.259 0 1 EKAF CCCCOc1ccc([C@H]2c3ccccc3[C@@H]3[C@H]2CCCN3C)cc1 27432593 LBWRHJNPYLEEKR-RJGXRXQPSA-N 335.491 5.394 0 1 EKAF Cc1ccsc1-c1cc(-c2ccco2)cc(-c2sccc2C)n1 45368039 HSMOWZPSKOZFES-UHFFFAOYSA-N 337.469 6.415 0 1 EKAF CN(c1ccccc1)[C@@H](c1ccc(O)cc1)c1c[nH]c2ccccc12 71340883 PEHAAVNBCZACDT-QFIPXVFZSA-N 328.415 5.099 0 1 EKAF Cc1c(O)ccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc12 95564349 QEHRXUOGGZHBNG-UHFFFAOYSA-N 343.382 5.205 0 1 EKAF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)Nc2ccccc2)no1 95580109 TUTIOBQSNRDFLS-DXRVJIQQSA-N 336.435 5.323 0 1 EKAF Cc1c(Cl)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169699926 ISSVBTWUUNLCIT-UHFFFAOYSA-N 336.822 5.212 0 1 EKAF Cc1cncc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587049689 DMSUPLVLFSYPOI-UHFFFAOYSA-N 344.201 5.500 0 1 EKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1CC3 587210879 YAPNUVGMZUVUOY-UHFFFAOYSA-N 343.348 5.461 0 1 EKAF CCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587364488 BQWJSKZZECDWRN-UHFFFAOYSA-N 345.442 6.172 0 1 EKAF COc1cccc(-c2c(C)c(C(C)C)nc3c2oc2ccccc23)c1 587366609 XAAMEFWBILITBM-UHFFFAOYSA-N 331.415 6.088 0 1 EKAF CCCCC/C=C\CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520702 AJKNCOICCGQPHC-HPFMTEOYSA-N 326.480 5.816 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(C)C)c2c1 587640260 GRIURKJDKBFGDB-HNNXBMFYSA-N 339.910 7.200 0 1 EKAF CC(C)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812579 JFHRHSUSRFDYLB-YVEFUNNKSA-N 342.296 5.020 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@@H](C)Cc2ccc(OC)cc2)N1 962946312 LETHAEXKWQSPET-LBUQITIBSA-N 348.490 5.021 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(F)cc(Cl)cc1F 963231364 QPAKHZZXDKHKOU-CWTRNNRKSA-N 335.825 5.364 0 1 EKAF COC(=O)[C@@H]1CCC[C@@H]2[C@](C)(CCc3ccoc3)[C@@H](C)CC[C@@]12C 2356584897 WRHCVRFRGNAASQ-SQFBREILSA-N 332.484 5.244 0 1 EKAF CCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1 29123813 VAVUZZKKXHPBEZ-STZQEDGTSA-N 346.555 5.562 0 1 EKAF in-vivo COc1ccc(-c2n[nH]c3ccnc(-c4cccc(Cl)c4)c23)c(C)c1 74388768 NUCGKOYXLYLUKM-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF Cc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1F 587015360 BEORSUZKRSGLDM-UHFFFAOYSA-N 343.814 5.454 0 1 EKAF Cc1nc(COc2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)cs1 587020414 RMLLLEVDUHSMLT-UHFFFAOYSA-N 349.459 5.191 0 1 EKAF Cc1c(Br)cc2nc(/C=C\c3ccsc3)[nH]c2c1C 587025318 IAUXQWCKVPTYAU-ARJAWSKDSA-N 333.254 5.174 0 1 EKAF FC(F)(F)Oc1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Cl 587026739 XENOQGOFVOFCKS-OWOJBTEDSA-N 344.745 5.347 0 1 EKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)cccc4[nH]3)c21 587030684 JCFJEMGJAOBXBA-LBPRGKRZSA-N 349.459 5.228 0 1 EKAF O=C1c2ccccc2-c2cc(Cc3ccccc3F)nc3cccc1c23 587104334 SFUXZQUUWOZUFZ-UHFFFAOYSA-N 339.369 5.176 0 1 EKAF CC(C)(C)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152385 MHOLXUDNDHKBTI-KGLIPLIRSA-N 326.390 5.410 0 1 EKAF CCc1c(-c2ccsc2)nc2cccc3c2c1-c1ccccc1C3=O 587208139 LXFJHKGTDZBNPW-UHFFFAOYSA-N 341.435 5.737 0 1 EKAF C[C@@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(cccc3n1)CC2 587210096 DZNVDMINTAHNKX-GFCCVEGCSA-N 343.348 5.492 0 1 EKAF Clc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587360900 QUVYKMUBEMSFIM-UHFFFAOYSA-N 347.870 6.382 0 1 EKAF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(C)cc(Cl)cc12 587623877 AZWUZAIZPJCSFP-UHFFFAOYSA-N 348.229 5.166 0 1 EKAF COc1cccc(C2(c3nc4cc(Cl)c(F)cc4[nH]3)CCCC2)c1 587931954 RPNRRLFTDYRTOB-UHFFFAOYSA-N 344.817 5.224 0 1 EKAF FC(F)(F)c1ccc(/C=C\c2cc3ccccc3nc2Cl)cc1 653796405 LBOFTRQMLPJZFC-YVMONPNESA-N 333.740 6.077 0 1 EKAF C1=C(c2ccccc2)CCC[C@H]1CN1CC=C(c2ccccc2)CC1 13738836 JWVXDQBQUCCGDC-HXUWFJFHSA-N 329.487 5.659 0 1 EKAF CC[C@H](c1cc(O)ccc1Cl)[C@H](CC)c1cc(O)ccc1Cl 27650077 RAOOGWHROGLOTA-KBPBESRZSA-N 339.262 6.092 0 1 EKAF CC(C)=C(c1ccccc1OCCCOc1ccccc1)n1ccnc1 28765980 NKSJJXFADQWWOC-UHFFFAOYSA-N 348.446 5.030 0 1 EKAF CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@H](SCC)C(C)C 29309921 GDSIONQIWSRATL-OWLNFBGXSA-N 326.546 5.636 0 1 EKAF Cn1c2c(c3cc(Br)ccc31)CSc1ccccc1-2 40565735 FEVBKAZPSYHMQK-UHFFFAOYSA-N 330.250 5.214 0 1 EKAF CC(C)(C)OC(=O)NC1CCC(CCc2c[nH]c3ccccc23)CC1 72187427 UAEDFFPKSOYMRM-UHFFFAOYSA-N 342.483 5.184 0 1 EKAF CC(C)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1O 169720332 ZDROOAJCJFLNPA-UHFFFAOYSA-N 326.421 5.508 0 1 EKAF c1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1 208042893 XCMUNUSWRUCQQS-UHFFFAOYSA-N 345.490 5.190 0 1 EKAF CCCCC/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C(=O)OC 238735715 SEXBBWYMBSFAPG-RKWSCVAVSA-N 332.484 5.052 0 1 EKAF CC(C)c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(O)c(C(C)C)c1 586896482 MQJWAZIQGFCHSH-UHFFFAOYSA-N 346.833 5.975 0 1 EKAF Fc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587049507 MBORHHQGYIMTRZ-YUMQZZPRSA-N 339.172 5.419 0 1 EKAF Cc1ccc(NC2(c3nc4cc5ccccc5cc4[nH]3)CCCC2)cc1 587237798 XVNLJWRTBHWLNA-UHFFFAOYSA-N 341.458 5.906 0 1 EKAF COc1cccc(-c2cc(C3CCC3)nc3c2oc2ccccc23)c1 587366642 XXNUQZMQEBLDSH-UHFFFAOYSA-N 329.399 5.924 0 1 EKAF CC[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521160 DCGNJBKXEAVDHS-QHCPKHFHSA-N 334.459 5.453 0 1 EKAF Oc1cccc(-c2cc(-c3ccncc3)nc3c2Cc2ccccc2-3)c1 1772589878 XSUCSCWAYLLTRV-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF c1ccc(-c2cccc(OCCCCCCN3CCCCC3)c2)cc1 1857576546 QKARMLVKIQKLDO-UHFFFAOYSA-N 337.507 5.779 0 1 EKAF Cc1cc2c(cc1OC(=O)c1ccccc1)[C@@]1(C)CCC[C@H](C)[C@@H]2O1 1857621096 KAHQNEWYWUBFLA-PRPYNDMISA-N 336.431 5.321 0 1 EKAF O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(C=Cc3ccccc3)c21 2356385772 ZPNXTAJKEFNJMW-NRFANRHFSA-N 342.394 5.269 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 2356459238 DEKPALIRJFSIQW-RZUBCFFCSA-N 332.528 6.075 0 1 EKAF CC(C=CCc1ccoc1)=C[C@@H](O)CC(C)=CCCc1ccoc1 2356638953 YORXHKRBOKTBBA-OAQYLSRUSA-N 326.436 5.248 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(NC=O)ccc1O 2356796270 NAVRWCCAZBUSNJ-XUFNMVPLSA-N 341.495 5.302 0 1 EKAF COc1ccc(-c2oc3ccccc3c2C(=O)Oc2ccccc2)cc1 15934067 TXGIZEKAQZIGLF-UHFFFAOYSA-N 344.366 5.328 0 3 EKAF C[C@H](O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 13606776 DMJYWUDBYVJYJG-SJORKVTESA-N 349.474 5.180 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@@H](C)/C=C\[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 17106673 QPIUBKNTZMBLLI-XBYFEIFYSA-N 348.527 5.044 0 1 EKAF O=C(O)CCCCCCCC/C=C(\c1ccccc1)c1cccnc1 26741051 OILGTIRDDCJSRB-RCCKNPSSSA-N 337.463 5.719 0 1 EKAF O=C1c2ccccc2CCc2cc(Nc3ccc(F)cc3F)ccc21 40404727 ONKRGPPYJKVSHA-UHFFFAOYSA-N 335.353 5.038 0 1 EKAF Clc1ccc2c(NCc3nc(-c4ccccc4)co3)ccnc2c1 95559732 ILQPRTKYYDFFLO-UHFFFAOYSA-N 335.794 5.155 0 1 EKAF CC(=O)c1c(C)cc2cccc(O)c2c1OCc1cccc(Cl)c1 169343706 XCTMDCRLALPDFK-UHFFFAOYSA-N 340.806 5.289 0 1 EKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]5CC[C@H]4C5)nc13)-c1ccccc1C2=O 587100074 ZMKFIWNHCVSOIN-YZVOILCLSA-N 339.438 5.658 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)cc3)cc1)O2 587383435 BMDQVQUEHBOGKU-NRFANRHFSA-N 347.389 5.090 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc(Cl)cc1 587627907 FHZRJNDQZXCFFS-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)cc1C 587870934 LUUGWWIOBYZNEY-UHFFFAOYSA-N 330.790 5.039 0 1 EKAF FC(F)(F)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920895 QDOPMRYTDXJSMF-UHFFFAOYSA-N 339.769 6.149 0 1 EKAF Fc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1F 587951069 VVEMJXULTVFESV-UHFFFAOYSA-N 336.341 5.224 0 1 EKAF CCCCCc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963111636 QUVXOPYJTWTGEM-GGAORHGYSA-N 337.482 5.668 0 1 EKAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)CC[C@@H]1[C@@H](C)CCC=C(C)C 2356377904 OTJQNVRXLNWAOT-ZHNGQKSSSA-N 348.527 5.354 0 1 EKAF CC(=CC[C@H](O)[C@@H](C)CCCc1ccoc1)CCCc1ccoc1 2356621613 JSDMCZGFWDFWNE-RXVVDRJESA-N 330.468 5.552 0 1 EKAF Cc1noc(C)c1-c1ccc2ncnc(N[C@H](C)c3ccccc3)c2c1 13828592 UTSVXJQVFBLSEH-CYBMUJFWSA-N 344.418 5.075 0 1 EKAF Cc1cc(CCCCCOc2c(C)cc(-c3ccoc3)cc2C)on1 28760514 UWQFMZAECCVRFA-UHFFFAOYSA-N 339.435 5.652 0 1 EKAF C=C(c1cc(Cl)ccc1OCCCc1ccccc1)n1ccnc1 28765626 RCNKUUQVVVJRNW-UHFFFAOYSA-N 338.838 5.067 0 1 EKAF CC(/C=C/C[C@@H](C)CCCC(C)C)=C\C(=O)OCc1ccccc1 29316834 PWLQEZQQUJMSGG-JHPJEVJYSA-N 328.496 6.085 0 1 EKAF CC[C@H](C)[C@H](c1cccc(O)c1)[C@H](c1cccc(O)c1)[C@H](C)CC 29407990 ZIXUNTQIAANKPI-WGKKAQPQSA-N 326.480 6.057 0 1 EKAF Clc1cccc(Cl)c1O[C@H](CCn1ccnc1)c1ccccc1 40981298 QZKOIPFCBAJYAI-QGZVFWFLSA-N 347.245 5.400 0 1 EKAF CC(C)CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3[C@@H](C)CC[C@@H]3[C@@H](C)CC[C@@H]12 64624216 YDDRLCGKYATUCE-UTBISNFYSA-N 346.643 7.964 0 1 EKAF in-vitro O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12 167753245 MMZQFCWYNFBQSC-UHFFFAOYSA-N 338.363 5.030 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)nc3c2COc2ccccc2-3)c1 473124761 WZDMMDCONQJLMF-UHFFFAOYSA-N 341.366 5.274 0 1 EKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586884700 XJNNLMXQNUHDBB-UHFFFAOYSA-N 327.214 5.998 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586898402 KIUMLOCVDQZGPZ-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](C)(CCC1CCCCC1)CC2=O 587488671 KEBUPQQTICPVME-NRFANRHFSA-N 330.468 5.429 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C)c2c1 587643091 RFLKVFYCXDETTO-LBPRGKRZSA-N 331.381 6.676 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C)c2c1 587643570 VOZOTJOPIYSALJ-GFCCVEGCSA-N 331.381 6.676 0 1 EKAF COc1ccc2c(c1)C[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)CC2 587938166 QGFPTCFFFUKQQV-LLVKDONJSA-N 347.245 5.151 0 1 EKAF Clc1cc(Br)cc2nc(CC3CCCCCC3)[nH]c12 587960141 GQDHKZFQHFYCAR-UHFFFAOYSA-N 341.680 5.492 0 1 EKAF COc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Cl 587964598 DRQLZXXLDSPKAO-UHFFFAOYSA-N 328.843 5.064 0 1 EKAF CCC=CCC=CC[C@@H](O)C=CC=CCC=CCCCC(=O)OC 2356672991 DTRIZYGHKMRYJM-HXUWFJFHSA-N 332.484 5.052 0 1 EKAF Fc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)cc1F 13488903 IOMMZXCILIHRGC-UHFFFAOYSA-N 329.415 5.587 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc(C3CCCCC3)cc2)C[C@@H]2CC[C@H]1N2C 13756672 AOGDHAKOMBZIIJ-GNXKAVGDSA-N 339.523 5.280 0 1 EKAF C[C@@H](COC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 45496917 LSRHGFSUNGGTCH-NSHDSACASA-N 340.275 5.511 0 1 EKAF C[C@](/C=C/c1ccccc1)(Cc1ccccc1)[C@@H](O)c1ccccc1 71335221 ANHMNCZTYNYUJX-GKIAHDCUSA-N 328.455 5.682 0 1 EKAF CCCn1c2cc(OCc3ccccc3)ccc2c2ccnc(C)c21 95553156 GFKJHDTZPIORLX-UHFFFAOYSA-N 330.431 5.487 0 1 EKAF Clc1ccccc1[C@H](Nc1ccccn1)c1c[nH]c2ccccc12 95560967 WGIXXRLFTXGPFI-FQEVSTJZSA-N 333.822 5.418 0 1 EKAF CCCCC[C@@H]1CN[C@H](C)CN1C(c1ccccc1)c1ccccc1 96270768 XLEJRQGWUIDJBB-DENIHFKCSA-N 336.523 5.019 0 1 EKAF C[C@H]1C[C@@H](C)O[C@]12CC[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 103227118 XBTNMOPAIXKVGQ-IDXNZQRWSA-N 340.507 5.432 0 1 EKAF COC(=O)C(C)(C)SC/C=C(\C)CC/C=C(\C)CCC=C(C)C 169327296 RWPTYUPMHIBTGU-NXGXIAAHSA-N 338.557 6.090 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\[C@@H](O)CCCO 169345754 RSVJYGYZYLKTOX-BAXJHMFCSA-N 344.539 5.818 0 1 EKAF COc1ccc2cc(CN[C@H](C)c3cccc4ccccc34)[nH]c2c1 200339410 AZVXSXOVUUPGIZ-OAHLLOKOSA-N 330.431 5.181 0 1 EKAF CCc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587073622 IDXATLZPNWQSHZ-UHFFFAOYSA-N 346.861 6.421 0 1 EKAF CCc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587159270 WDXNKYYAILGRSI-UHFFFAOYSA-N 344.389 5.411 0 1 EKAF FC(F)(F)c1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587210331 OULCXMIKECAGRB-UHFFFAOYSA-N 327.349 5.137 0 1 EKAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587210805 IJUFUQIVHVINEN-ZDUSSCGKSA-N 340.467 5.043 0 1 EKAF O=C1C[C@H](CCc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587501660 PTFUDEDXBABCNP-KRWDZBQOSA-N 340.850 5.185 0 1 EKAF O=C1C[C@@H](c2c(F)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587508204 SYVFMEILDULMRE-INIZCTEOSA-N 348.776 5.204 0 1 EKAF CCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533971 ZZXBCXSKQGYIRA-FQEVSTJZSA-N 326.461 5.070 0 1 EKAF COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1C 587951168 XEAWQUVBBJPJOD-UHFFFAOYSA-N 344.414 5.263 0 1 EKAF Cc1ccc2nc(-c3cccs3)c(NCCc3ccccc3)n2c1 1772650967 QSFQMTPMTCVYEU-UHFFFAOYSA-N 333.460 5.026 0 1 EKAF CC(C)CCCCCCCCCCCCCC=COC[C@@H](O)CO 2356476401 DFQUASFMMMHMNW-NRFANRHFSA-N 342.564 5.597 0 1 EKAF CCC=C(C)[C@@H]1C(C)=C[C@]2(C)[C@@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356480691 MKULNXUVQXEUEY-VZVVXEKASA-N 342.479 5.091 0 1 EKAF FC(F)(F)c1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1 74388571 BCHOTFODJUVYDM-UHFFFAOYSA-N 345.349 5.372 0 3 EKAF Cc1cccc(C)c1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1F 206050568 ABZRYUUKRNNENG-NRFANRHFSA-N 348.421 5.234 0 3 EKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(F)cc3)cc2C)on1 3590502 RDVURGUURNOSQK-UHFFFAOYSA-N 339.410 5.418 0 1 EKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1Cl)C2 13761308 TWLKFPACEDMNGQ-APZTZJSISA-N 341.882 5.071 0 1 EKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(C=O)cc3)cc2C)on1 28711026 YWMFFDZYTGSLRT-UHFFFAOYSA-N 349.430 5.091 0 1 EKAF CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1 72119623 BIKKIFJQWFNADP-UHFFFAOYSA-N 328.456 5.164 0 1 EKAF C/C1=C\C[C@H](OC(=O)c2ccccc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 87723330 JRSLQKPYZJDQRG-SZUTVLQESA-N 342.479 5.066 0 1 EKAF Fc1cc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c(F)c1 115166910 RTTCKZFTCNVPEA-UHFFFAOYSA-N 343.135 5.263 0 1 EKAF CC(C)=CCC/C(C)=C\Cc1c(O)ccc2[nH]c3ccc(C)cc3c12 212778534 MFGOZKCFDYMVEK-PXNMLYILSA-N 333.475 6.570 0 1 EKAF Oc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(O)cc3)n2)cc1 473134092 FCMIXXNQTIAYFZ-UHFFFAOYSA-N 329.355 5.087 0 1 EKAF CCCCC/C=C\CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520707 AJKNCOICCGQPHC-MJRGOJFPSA-N 326.480 5.816 0 1 EKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628939 VTAHRGZTMLUFJL-UHFFFAOYSA-N 342.628 6.497 0 1 EKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([C@H](C)CC)cc1 587871892 PCYGRYDJPXFVDM-OAHLLOKOSA-N 338.426 5.591 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1C 587920919 RBDPTHDEYRQUQE-UHFFFAOYSA-N 335.472 6.025 0 1 EKAF CN[C@@H](C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C 2356649174 BXZCGDYGWHAPIP-ONKVGXGCSA-N 343.555 5.108 0 1 EKAF C[C@](O)(c1ccccc1)c1nc(-c2csc3ccccc23)cs1 61897348 MNIPOMNLMMHAJS-IBGZPJMESA-N 337.469 5.281 0 3 EKAF Cc1nc2c(NCc3c(Cl)cccc3Cl)cccn2c1Cl 13778243 ZFCHKEWFOYFIRD-UHFFFAOYSA-N 340.641 5.215 0 1 EKAF CCCCCC[C@H](O)CCCCCCCCCCCCCC(=O)O 14454533 QOHOPIAGXYYWBQ-FQEVSTJZSA-N 342.564 6.474 0 1 EKAF biogenic CCCCC[C@](C)(O)c1cccc(OCc2ccc3ccccc3n2)c1 25985282 PUPULQCZPABFPH-QHCPKHFHSA-N 349.474 5.602 0 1 EKAF CCc1oc2ccccc2c1C1CCN(CCc2ccccc2)CC1 27874013 QSSIOXLLWCWBMX-UHFFFAOYSA-N 333.475 5.417 0 1 EKAF Cc1c(C2CCN(C)CC2)[nH]c(-c2ccc(F)cc2)c1-c1ccncc1 28474107 BXVHRQQDZGGVGS-UHFFFAOYSA-N 349.453 5.000 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1cccnc1)c1ccc(Cl)cc1 38179236 YNBUSMMFDYEUSG-ATZDWAIDSA-N 342.870 5.032 0 1 EKAF C[C@@H](NC1=NCCCCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C 39369528 PITQSMWCUJOCHW-MRXNPFEDSA-N 340.555 5.831 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3cccs3)n2)c1 49113259 ARUHBJGNLAPWGO-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF in-vivo CCc1cccc2ccn(C[C@H](O)CSc3ccccc3Cl)c12 84704949 UUHMAMHYWPIJTN-INIZCTEOSA-N 345.895 5.010 0 1 EKAF C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc32)N1Cc1ccccc1 100931741 SKBKTLSGMGFWIT-IZWGGKBUSA-N 327.471 5.102 0 1 EKAF Cc1ccc(CNCCCn2c3c(c4cc(C)ccc42)CCCC3)cc1 103298936 DBJDOVFQPYBFMI-UHFFFAOYSA-N 346.518 5.317 0 1 EKAF Cc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 138828458 VXPNERZOGCAETM-UHFFFAOYSA-N 349.340 5.071 0 1 EKAF CCCCOc1cc(-c2ccccc2)nc2ccc3c(ccn3CC)c12 473112964 GUMQCCJNQHHVQV-UHFFFAOYSA-N 344.458 6.055 0 1 EKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 586889166 LEHNLMZPRRIHLA-UHFFFAOYSA-N 325.378 5.441 0 1 EKAF Cc1nc2ccc(O)c3c2c(c1CC(C)(C)C)-c1ccccc1C3=O 586992794 ZXZMRVIQRQNYJS-UHFFFAOYSA-N 331.415 5.049 0 1 EKAF CC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587055699 WPEUVGVLYSNATD-SOFGYWHQSA-N 331.202 5.243 0 1 EKAF C[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccccc1C(F)(F)F 587098666 RQJHFLIYQNALPD-NSHDSACASA-N 347.384 5.426 0 1 EKAF Cc1ccccc1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099907 XFYMVQPLLFPYIR-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF COc1cccc(-c2cc(-c3cc[nH]n3)nc3c2oc2ccccc23)c1 587363689 STDKBMVZJBRCCX-UHFFFAOYSA-N 341.370 5.047 0 1 EKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)cc1)CC2=O 587462837 QUNZQVSMHWCTGC-FQEVSTJZSA-N 344.838 5.269 0 1 EKAF Cc1ccc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522805 HFGHQBBLZBVMER-QHCPKHFHSA-N 332.443 5.145 0 1 EKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587932743 ZDZPBHBREBXRBU-ACJLOTCBSA-N 346.352 5.036 0 1 EKAF COc1ccc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)cc1 587934899 HXEOXBSTGOCLBP-UHFFFAOYSA-N 328.415 5.522 0 1 EKAF COc1ccc(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)cc1 587936600 VPWJNTNPDKZSRZ-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF FC(F)(F)c1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587968114 KTRWLLKGSPRNSY-VAWYXSNFSA-N 338.332 5.905 0 1 EKAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO 2356397208 JIYJKMAEDVTOQW-DYXWJJEUSA-N 326.565 5.727 0 1 EKAF CCCCCC[C@@H](OC)[C@H](C)CCCCCCCCCC(=O)OC 2356437986 OBCWEULYYNZUFM-WOJBJXKFSA-N 342.564 6.292 0 1 EKAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356653181 FJPYRUGHOSNUPA-NSGGIEJNSA-N 330.468 5.164 0 1 EKAF COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1ocnc1C 13490411 CLQRVCGNXRZWDZ-UHFFFAOYSA-N 347.374 5.057 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCC 38146617 YLFLZSQBPHMIBS-AIBIWWTJSA-N 345.571 6.658 0 1 EKAF Cc1ccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)cc1 40428699 YEYMEYADLLVKGI-INIZCTEOSA-N 342.446 5.210 0 1 EKAF CC(C)(C)c1ccc(-c2ccc(NC(=O)c3ccccc3)nc2)cc1 40846220 TYQBMWYGURSEHX-UHFFFAOYSA-N 330.431 5.298 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(Cl)c(Cl)c2)n1 72186540 IXGYRNWLRLWQQQ-GFCCVEGCSA-N 341.282 5.707 0 1 EKAF CCCC[n+]1ccn([C@@H](c2ccccc2)c2cc3ccccc3o2)c1C 95587979 PFPFEUHGYNQGPQ-QHCPKHFHSA-N 345.466 5.268 0 1 EKAF Cc1ccc2c(c1)N[C@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 100650837 AQVMHAPTQYRDGR-LJQANCHMSA-N 338.476 5.928 0 1 EKAF CN(C)c1ccc([C@@H](C[C@@H](N=O)c2ccccc2)c2ccccc2)cc1 169730268 YEKDMJNHXWXNCA-XZOQPEGZSA-N 344.458 5.782 0 1 EKAF CCc1nc2ccc(O)c3c2c(c1[C@@H](C)CC)-c1ccccc1C3=O 586992091 UGGAUEXGOOAAOH-LBPRGKRZSA-N 331.415 5.228 0 1 EKAF CCO[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099170 CIDJQAYANVNRBJ-SFHVURJKSA-N 343.426 5.169 0 1 EKAF Cc1cc(C)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587133733 AVLVCWRYYKGOPR-ONEGZZNKSA-N 338.279 5.046 0 1 EKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(F)cc2[nH]1 587246555 CCBZZNPMCGLQSL-UHFFFAOYSA-N 347.393 5.117 0 1 EKAF CCC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349640 CNJQHWGAPIGORL-GHTZIAJQSA-N 342.410 5.085 0 1 EKAF COc1cccc(-c2cc(-c3ncc[nH]3)nc3c2oc2ccccc23)c1 587364037 WBYSVWMKLJAQPC-UHFFFAOYSA-N 341.370 5.047 0 1 EKAF COc1cccc(-c2c(C)c(C(C)(C)C)nc3c2oc2ccccc23)c1 587364462 AKRGIYGQNAOFQI-UHFFFAOYSA-N 345.442 6.263 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(C)c1Cl)CC2=O 587466229 MPWQFVOUACTMTN-KRWDZBQOSA-N 348.801 5.152 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 587642518 TUZGTBHALUQEGP-SSDOTTSWSA-N 337.263 5.445 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587951481 MFJXEYYIDMGJLD-AWEZNQCLSA-N 345.446 5.549 0 1 EKAF CC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587958678 FUOOZQWUWBEADT-UHFFFAOYSA-N 340.426 5.332 0 1 EKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C(\C)CCC=C(C)C)nc2c1 587968168 PMYGHVLIIXBGIK-XYOKQWHBSA-N 332.831 5.153 0 1 EKAF CC(C)(C)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963111688 RNMPXJIFYPCPQS-MRXNPFEDSA-N 340.319 5.588 0 1 EKAF CC(C)[C@@H]1C(=O)N(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857761483 PCTXSELXVWKARP-INIZCTEOSA-N 344.867 5.030 0 1 EKAF CCCCc1ccc2c(OC(C)=O)c(CC)c(CC)c(OC)c2c1 5832298 OVQFSKNIRQDMGC-UHFFFAOYSA-N 328.452 5.241 0 1 EKAF Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3)o2)cc1 13558576 XWBHHQHBRJDEBU-UHFFFAOYSA-N 328.367 5.692 0 1 EKAF CCOC(=O)[C@H]1C[C@@]1(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 26388729 MTGJEKMTXCEFTB-CUHFYSLGSA-N 342.523 6.161 0 1 EKAF CC/C=C(/c1cc(Cl)ccc1OCc1ccccc1)n1ccnc1 28764823 WSICPZVXIGSDQT-SWNXQHNESA-N 338.838 5.415 0 1 EKAF CC(C)(C)NCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1 40900977 SJMWUVDCDLOXFV-UHFFFAOYSA-N 339.870 5.520 0 1 EKAF COc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1 84672409 VVGXDMBGCOLWAL-UHFFFAOYSA-N 344.336 5.520 0 1 EKAF CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](O)CCC1(C)C 95626184 ULTPFVHSYYJYAE-SRDRQEDTSA-N 344.495 5.052 0 1 EKAF in-man O=C(CCc1ccccc1-c1ccccc1)C(F)(F)C(F)(F)F 96915428 ZJXHVHKWBLBUIA-UHFFFAOYSA-N 328.280 5.053 0 1 EKAF CC[C@H](C)CCCCCCCCCCCCCCC[C@@H](O)C(=O)O 238736372 LMEGQFGNKLZNEC-VQTJNVASSA-N 342.564 6.330 0 1 EKAF c1cncc(-c2cc(-c3ccncc3)c3c(n2)-c2ccsc2CC3)c1 299826404 ZTZRGTZCZXOLPL-UHFFFAOYSA-N 341.439 5.033 0 1 EKAF CCCCC1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 586886965 DXEILEDQYKDFNY-UHFFFAOYSA-N 326.271 5.729 0 1 EKAF CNc1cc(Cl)ccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587066427 BOHCGHRHIMUHOS-UHFFFAOYSA-N 343.711 5.083 0 1 EKAF C=Cc1nc2c(C)ccc3c2c(c1CCCC)-c1ccccc1C3=O 587099221 CTGHIDOVAUTFGR-UHFFFAOYSA-N 327.427 5.740 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc3ccc(Cl)cc13)O2 587414196 LKNLWMXXKGKASB-INIZCTEOSA-N 343.835 5.152 0 1 EKAF CCCCCC1(CCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446366 VYESAYQHHQPFEX-QGZVFWFLSA-N 330.468 5.342 0 1 EKAF C[C@]1(CCCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499884 NPYNACUJULUELB-KRWDZBQOSA-N 326.358 5.022 0 1 EKAF O=C1C[C@@H](c2ccc(F)c(F)c2Cl)Oc2c1ccc1c2CCCC1 587504339 IKQQKLFKFPVSNE-INIZCTEOSA-N 348.776 5.204 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c2c1 587643487 UTZKCGDOYXXCFU-CYBMUJFWSA-N 339.410 5.533 0 1 EKAF Fc1ccc2c(c1)-c1cc(n(-c3nc4ccc(Cl)cc4s3)n1)O2 587876884 WGZPOFRWWRPITK-UHFFFAOYSA-N 343.770 5.047 0 1 EKAF CCc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955762 NNXDIHDFRVUFRB-HXUWFJFHSA-N 326.443 5.500 0 1 EKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccco3)n2)c1 1857594771 FDOUSYRZQPTPIG-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Clc1ccc([C@@H](CCCc2ccccc2)[C@H]2CCCCN2)cc1 35090465 FZAYBHQQLZFDLP-NHCUHLMSSA-N 327.899 5.589 0 1 EKAF in-vitro CCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21 42989640 SOZFXCFTBZKTKE-UHFFFAOYSA-N 343.426 5.444 0 1 EKAF Fc1ccc(C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1 43442942 WBQMEDNOYNUYIN-UHFFFAOYSA-N 342.335 6.347 0 1 EKAF O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1Cl 45255798 PXXKWQWERILNNI-UHFFFAOYSA-N 343.213 5.308 0 1 EKAF FCCC[C@@H]1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21 45320675 NWOOQMRIUHZAOU-NRFANRHFSA-N 345.502 5.379 0 1 EKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2ccc(F)cc2)cc1 45385268 IEKBPHHXDXKATO-LJQANCHMSA-N 345.414 5.244 0 1 EKAF in-vivo Fc1cccc(Cl)c1-c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 64559246 XHVGGQYGPOAQTI-UHFFFAOYSA-N 348.808 6.203 0 1 EKAF CC(C)(C)c1ccc(N[C@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 66258955 VNFHUBHFCOEIHW-RBBKRZOGSA-N 335.491 5.897 0 1 EKAF C[C@H](Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)c1ccccc1 82162050 TXYGAWSHPCYZKB-ZDUSSCGKSA-N 343.352 5.336 0 1 EKAF Cc1ccc(Cl)cc1-c1nsc(-c2ccc(Cl)cc2C)n1 95558972 JUHUHBDBRUOVLM-UHFFFAOYSA-N 335.259 5.796 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)CCC[C@]34C)[C@@H]1CC=C2c1cccnc1 141032233 MOAITADYVRMUCR-HLJFLRLJSA-N 349.518 5.687 0 1 EKAF Oc1cccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccccc2C3)c1 473249618 WYZPVOGUMMMNDS-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(F)cnc(Cl)c2[nH]1 586878491 ITXHRBFDJGIBFS-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1C[C@H]3[C@@H]2CCC[C@H]12 587206067 AGYAFSLHOQSPAV-XLQHLMKVSA-N 337.422 5.447 0 1 EKAF CCC[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521121 CRYOPXXMBAJKHQ-DEOSSOPVSA-N 348.486 5.702 0 1 EKAF CCC[C@H](c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523954 JKSMWCZWUZYFLJ-XMSQKQJNSA-N 334.459 5.483 0 1 EKAF CCc1[nH]c2cc(F)ccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587634073 RJKFPOFYYHTQSH-UHFFFAOYSA-N 335.300 5.119 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3c(Cl)cccc3Cl)c(C)c2c1 587642827 WEXBEQZSAIDDLZ-NSHDSACASA-N 332.274 6.964 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)cc3)c2c1 587643773 WOYFFTACDHXKMW-ZDUSSCGKSA-N 341.401 6.158 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3c(F)cccc3Cl)n2)c1 587921672 PZDZBPYQUWKOJX-UHFFFAOYSA-N 325.742 5.548 0 1 EKAF CC(=O)OC(C)(C)[C@H]1CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CC1 2356802310 SBZJHVNXTCIAGI-SFTDATJTSA-N 348.527 5.498 0 1 EKAF CCCCc1nc2ccccc2n1Cc1cc(Cl)c(O)c(Cl)c1 26283189 ODKHRPQDZIVOMV-UHFFFAOYSA-N 349.261 5.440 0 1 EKAF CC(C)(C)c1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc(C(C)(C)C)c1 29335547 FSSLJEJYEZCPLH-UHFFFAOYSA-N 348.494 5.109 0 1 EKAF CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)OCC 34249996 VPHFTRIAHMFYGR-FGQFGPJRSA-N 346.511 5.442 0 1 EKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@@](C)(O)c1ccc(C(F)(F)F)cc1 49053614 RPVCQZSJQDWNFE-ASLVEYIASA-N 338.413 5.852 0 1 EKAF COc1cc2c(cc1[C@H](C)N[C@H](C)c1ccccc1)C=CC(C)(C)O2 96932063 WUOFAOLDOMTPHF-CVEARBPZSA-N 337.463 5.291 0 1 EKAF CCOC(=O)c1ccc([C@@H]2C[C@@H]2c2ccc3c(c2)[C@@H]2CC[C@@H]3C2)cc1 100791263 JXPKDVUVFSQUEH-FTIBCMOBSA-N 332.443 5.499 0 1 EKAF Oc1ccc(/C=C2\C3C[C@@H]4C[C@@H](C3)CC2(c2ccc(O)cc2)C4)cc1 101029260 IKOQXCJPDQDZTE-DMDSGUIUSA-N 332.443 5.259 0 1 EKAF Fc1ccc(Cn2cc(-c3ocnc3Cl)c3ccccc32)c(F)c1 103292200 TWSXLOIYXNZCAC-UHFFFAOYSA-N 344.748 5.276 0 1 EKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)c4cocc4CC[C@@H]32)C1(C)C 138556141 DUYNKHFSOPGXQD-GVMRPCBKSA-N 344.495 5.268 0 1 EKAF C[C@@H]1c2ccsc2CCN1C(=O)c1sc2ccccc2c1Cl 144692977 NZUYCIAPBRBOAM-SNVBAGLBSA-N 347.892 5.376 0 1 EKAF C/C1=C/[C@@H](O)C(C)(C)CCC/C(C)=C/C[C@@H]1OC(=O)c1ccccc1 238742988 JRSLQKPYZJDQRG-CNOBNDRUSA-N 342.479 5.066 0 1 EKAF CCc1nc2ccc(C)cc2n1CCCCNc1ccc(C)cc1C 473247957 KNRKNQLZMOBCTO-UHFFFAOYSA-N 335.495 5.416 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(Cl)c(C)c4[nH]3)cs2)o1 587016032 DZMKAXJZYYHFKD-UHFFFAOYSA-N 329.812 5.217 0 1 EKAF Cc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067708 LUCWRACENHXREE-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF FC(F)(F)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084523 BYFUKVNGULHPNB-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF CC(C)=Cc1nc2cccc3c2c(c1[C@H](C)c1ccc(C)cc1)CC3 587212963 DWBYRMLCFOHQBG-QGZVFWFLSA-N 327.471 6.217 0 1 EKAF CCc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587410974 HYQZEZGERNJFQK-OAQYLSRUSA-N 347.414 5.106 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C[C@@H]1CC=C(C)C1(C)C)CC2=O 587476718 ALLMCMSPFYBRME-LSDHHAIUSA-N 328.452 5.061 0 1 EKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(F)(F)F)cc1 587629894 MQHHZEBPFDSAOX-UHFFFAOYSA-N 331.671 5.785 0 1 EKAF Clc1nccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950122 PNEDDIOOVKKIEK-ZHACJKMWSA-N 347.805 5.574 0 1 EKAF Cc1cnc(Cl)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc12 587962751 XEXJATNYCVUWAQ-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CCCC/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587965584 NNDGOGBNYUACTK-WAYWQWQTSA-N 347.178 5.548 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C(C)(C)C)cc2)N1 962962632 YFTCJCRUXYGLSV-MHECFPHRSA-N 346.518 5.653 0 1 EKAF Cc1ccc2[nH]c3c(-c4ccc(C(F)(F)F)cc4)nccc3c2c1 1772642936 ZSNXXBBMWWWNRU-UHFFFAOYSA-N 326.321 5.710 0 1 EKAF O=C(O)C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857564026 GSEBPFKPFGTVQS-IBGZPJMESA-N 341.410 5.442 0 1 EKAF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1 2356597803 UXORUSKBVACZHJ-UYWIDEMCSA-N 334.500 5.349 0 1 EKAF Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H](C)c3ccccc3)c2c1C 13756607 UEHRRIBODAEUFE-INIZCTEOSA-N 342.446 5.415 0 1 EKAF CC(C)CCCCCCCCCCCCCCCOC[C@H](O)CO 15261832 JAUFWPNLLLUYNV-OAQYLSRUSA-N 344.580 5.474 0 1 EKAF biogenic CC(C)CC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708102 KNZCONNAMIYGMW-JOCHJYFZSA-N 337.507 5.148 0 1 EKAF CCNc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1 29041797 YGWMTIBLRJZMDY-UHFFFAOYSA-N 339.395 5.189 0 1 EKAF C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2c(O)cccc2N1 66251610 FQXRRAARSYNTJY-JOCHJYFZSA-N 328.415 5.244 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722129 GOOKYIJBCRETAO-SFTDATJTSA-N 332.447 5.240 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncccc4[nH]3)cc2)CC1 586878940 BZNNPFDXDNUKJS-QAQDUYKDSA-N 333.479 6.089 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(C)c(C)c4[nH]3)cs2)cc1 587016394 VBWMHSYXUUISGU-UHFFFAOYSA-N 333.460 5.533 0 1 EKAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(C(C)(C)C)c3[nH]2)cs1 587021562 PCHFPJZBXHJOJP-UHFFFAOYSA-N 336.464 5.287 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)C[C@@H](C)C4)-c1ccccc1C2=O 587101560 VBWJDRZGJGDQNO-TZMCWYRMSA-N 327.427 5.440 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ncccc3Cl)nc3cccc1c23 587104224 QHJYTHCIRMEVSG-UHFFFAOYSA-N 342.785 5.162 0 1 EKAF Fc1ccccc1CCc1nc2cccc(OCc3ccccc3)c2[nH]1 587149842 NIQPWGCLRWZBGF-UHFFFAOYSA-N 346.405 5.066 0 1 EKAF CC(C)c1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 587214662 CSUHDLCBDGGVTA-UHFFFAOYSA-N 345.442 5.141 0 1 EKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1Cl 587623535 IUNGIYXYFFMNFL-UHFFFAOYSA-N 347.245 5.652 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc(C(C)C)cc1 587631762 SORMMZSEJMFDAX-UHFFFAOYSA-N 344.817 5.645 0 1 EKAF O=C(c1cc2c(Oc3ccc(Cl)cc3)cncc2s1)C1CC1 653859579 LGCGYNVLQBBQDK-UHFFFAOYSA-N 329.808 5.335 0 1 EKAF c1coc(CN2CCc3sccc3[C@@H]2c2cc3c(s2)CCC3)c1 962711696 MOYICYFWBVDMID-LJQANCHMSA-N 341.501 5.039 0 1 EKAF Cc1cc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1 13809531 VRPKKFDTLZOGSE-UHFFFAOYSA-N 331.371 5.410 0 1 EKAF CC(C)c1ccccc1Nc1nc(SCc2cccs2)n[nH]1 14964398 QMNSHLAPQLBIGP-UHFFFAOYSA-N 330.482 5.026 0 1 EKAF in-vitro Cc1ccc(O)cc1Nc1ccnc2ccc(-c3cccnc3)cc12 28823955 BYVUAJDYENVNAV-UHFFFAOYSA-N 327.387 5.054 0 1 EKAF CC(C)COC(=O)SCCOc1ccc(Oc2ccccc2)cc1 29331636 FGPZLZXTFAGVDP-UHFFFAOYSA-N 346.448 5.384 0 1 EKAF FC(F)(F)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 40973522 YWZGZHLQGUESCC-SFHVURJKSA-N 344.380 5.354 0 1 EKAF CSc1ccc([C@H]2CN3CCC[C@H]3c3ccc(Cl)cc32)cc1 58580859 JSGXTZMCQYACBY-MOPGFXCFSA-N 329.896 5.344 0 1 EKAF COc1cc(C)c(/C=C/C(C)=C/CC/C(C)=C/C(=O)O)c(C)c1C 59411514 RARLFRJQGOOPMS-OWZURYKZSA-N 328.452 5.391 0 1 EKAF Cc1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)o1 96282223 ADYBSGCDEXSWMS-UHFFFAOYSA-N 347.399 5.255 0 1 EKAF CC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273509 SMXNSFMMSIFTJF-QFIPXVFZSA-N 344.458 5.498 0 1 EKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(Cl)c1 115765121 RFRMSUZLMLQGTD-UHFFFAOYSA-N 348.233 5.044 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C 238746140 CUSONBTUCOAEMV-YBBCZWHLSA-N 331.459 5.930 0 1 EKAF Cn1cc([C@@H]2CC(=O)c3cc(Cl)ccc3S2)c2ccccc21 299839310 SGHDHKJTMKYTQB-SFHVURJKSA-N 327.836 5.252 0 1 EKAF Cc1ccnc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c12 587032060 YKWZXBJFPZVHEK-LBPRGKRZSA-N 348.475 5.225 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095572 LHQGMZUCSGSEKY-UHFFFAOYSA-N 333.357 5.128 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc4[nH]ccc4c3)nc3cccc1c23 587107818 USYWDPHTHDBQNR-UHFFFAOYSA-N 346.389 5.595 0 1 EKAF CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587509717 WJGSKPDXVHODDC-HXUWFJFHSA-N 340.850 5.488 0 1 EKAF Cc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1 1772614098 DJCOLFWPTCLXNV-UHFFFAOYSA-N 336.822 5.959 0 1 EKAF CC(C)(C)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1 64511946 CTZLXTQEVUMJMU-UHFFFAOYSA-N 344.433 6.334 0 1 EKAF Cc1cccc(C)c1N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 71341308 PEIDQLWRTNTHKP-UHFFFAOYSA-N 339.822 5.493 0 1 EKAF Cc1ccc2c(c1)N[C@@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 100650840 AQVMHAPTQYRDGR-IBGZPJMESA-N 338.476 5.928 0 1 EKAF CC(=O)O[C@H]1C/C(C)=C/CC[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 102814756 QPIUBKNTZMBLLI-ASFQSAAXSA-N 348.527 5.044 0 1 EKAF CC(=O)O[C@@H]1CC(C)=C(CC/C(C)=C\CO)[C@@]2(C)CCCC(C)(C)[C@H]12 139557225 XEOIHOKVTGDPKG-JDGCOYITSA-N 348.527 5.190 0 1 EKAF Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 169352376 PLOKDSGGBORVEF-UHFFFAOYSA-N 330.522 5.670 0 1 EKAF O=C1C[C@H](c2c[nH]c3ccc(Cl)cc23)Sc2ccc(Cl)cc21 299841004 XHFTYCNSGMIZMQ-QGZVFWFLSA-N 348.254 5.895 0 1 EKAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@]2(C)CC[C@@H](C(C)(C)O)[C@@H]12 299844229 QPIUBKNTZMBLLI-TUCALWQCSA-N 348.527 5.044 0 1 EKAF Cc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884904 RPSPNPSVDDZWGZ-PAKFGRKTSA-N 345.284 5.102 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cs2)o1 587017177 SLILHJCAMXYOKR-UHFFFAOYSA-N 337.448 5.552 0 1 EKAF CSc1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153395 QMPMAKXCJBBUJE-UHFFFAOYSA-N 334.419 5.758 0 1 EKAF CCCCCC1(CCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 587479605 DTIZULQLDPLRSH-UHFFFAOYSA-N 346.511 6.209 0 1 EKAF Cc1ccc([C@H](c2ccccc2)[S@](=O)Cc2cccs2)cc1 1772590670 PWZOWRNJWLJVFK-SIKLNZKXSA-N 326.486 5.095 0 1 EKAF N=c1[nH]c2ccc(SCc3ccc(Cl)c(Cl)c3)cc2s1 1857541079 MEVVEKKHDRENAE-UHFFFAOYSA-N 341.288 5.308 0 1 EKAF CO[C@@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2ccc(C(C)C)cc21 2356322684 YAHULLSOKYPUCD-JYRKZWEQSA-N 330.468 5.050 0 1 EKAF C[C@H](CN1[C@H](C)CCC[C@H]1C)c1cccc(C(=O)c2ccccc2)c1 29410119 MSOLWIXKJYSHSW-GUDVDZBRSA-N 335.491 5.284 0 1 EKAF COc1c(C)cnc(CC[C@]2(C)Nc3ccc(Cl)cc3S2)c1C 29551662 DCPJNHTVVDUEQI-GOSISDBHSA-N 348.899 5.227 0 1 EKAF c1ccc2sc(Oc3ccc(CCN4CCCCC4)cc3)nc2c1 40395791 DHHMVJVCMLXZBO-UHFFFAOYSA-N 338.476 5.117 0 1 EKAF in-vivo CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45367675 IPAMIWZVGZQITB-CVEARBPZSA-N 338.904 5.345 0 1 EKAF O=C1CCCC[C@H]1[C@H](Nc1ccc(F)c(F)c1)c1ccccc1F 66262501 ARVVITKZTJPAHB-AUUYWEPGSA-N 333.353 5.016 0 1 EKAF Cc1nccn1[C@H](c1ccccc1)c1ccc2oc3ccccc3c2c1 96914433 HQHYZXLDXURGDA-HSZRJFAPSA-N 338.410 5.729 0 1 EKAF C/C1=C/C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 169692867 JRSLQKPYZJDQRG-UUBAYFBBSA-N 342.479 5.066 0 1 EKAF Cc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Cl 587027036 MQYUAXVWMWEAMH-UHFFFAOYSA-N 343.839 5.140 0 1 EKAF CC(C)(C)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036456 BUAHVWVSQAFCKS-MRXNPFEDSA-N 328.506 5.301 0 1 EKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(O)c1C4)-c1ccccc1C2=O 587100919 IXBDVHPCADSGJG-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF O=C1C[C@@]2(CCC[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587528178 YUPLYFABKCYAQI-NZQKXSOJSA-N 332.443 5.237 0 1 EKAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c(C)cc(Cl)cc12 587624496 KLBRXSFCHAAUBP-UHFFFAOYSA-N 349.764 5.252 0 1 EKAF CSc1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1 587925077 NDIVCIAMWAJQAZ-UHFFFAOYSA-N 325.502 5.740 0 1 EKAF CSc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950472 RCACDLPABUSDSB-UHFFFAOYSA-N 346.455 5.668 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2cc(C)c(Br)cc2[nH]1 587969415 SCORDEMRQCRPKW-XYOKQWHBSA-N 333.273 5.784 0 1 EKAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587970554 KENFJBRMTCAQBK-UKRRQHHQSA-N 345.471 5.909 0 1 EKAF Cc1ccccc1-c1nc([C@H]2NCCc3cccc(Cl)c32)cs1 963391705 XDNYCAMCTJSVJB-GOSISDBHSA-N 340.879 5.007 0 1 EKAF C[C@@H]1CCC2=C3[C@H](C[C@@H](O)C2(C)C)c2[nH]c4ccccc4c2C[C@]31C 2356729502 MIQYAOWHEHWVNN-QHRRHJALSA-N 335.491 5.331 0 1 EKAF c1ccc(COCCc2cn(Cc3ccccc3)c3ccccc23)cc1 136128457 SBJXYJZKAQQQDQ-UHFFFAOYSA-N 341.454 5.449 0 3 EKAF Cc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1 13672205 IYHWVIKQMKGZOE-UHFFFAOYSA-N 342.446 5.237 0 1 EKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OCC 34363626 DXWNFRGRLVMUIG-DOQBBUJKSA-N 348.527 5.666 0 1 EKAF N=C(Nc1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1 34805719 QCGLRBKXODCKAO-UHFFFAOYSA-N 345.471 5.383 0 1 EKAF Nc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccc(Cl)cc1 43074893 MCPPVFZZWYUKNT-UHFFFAOYSA-N 348.254 5.535 0 1 EKAF CCc1cccc(C)c1-n1nc(-c2cc(C(C)(C)C)oc2C)cc1N 45301671 JYLKLLMNSPNSFK-UHFFFAOYSA-N 337.467 5.191 0 1 EKAF Clc1ccc(C2=CCc3ccccc3N=C2N2CCCCC2)cc1 49605924 BIMLHMSQPPAFOS-UHFFFAOYSA-N 336.866 5.496 0 1 EKAF CC(C)Cc1cc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1 103202076 LKKVXMDEJPFZRL-UHFFFAOYSA-N 345.368 5.096 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@]5(CCCO5)CC[C@]34C)[C@@H]1CCC2=O 118920115 RYPQMODPXMALLX-RNXAVOFCSA-N 330.512 5.147 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCC 231934319 DCUXLBLUWUQKFU-NKXWDUBDSA-N 331.544 6.268 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cc1Cl 586904038 YJATWXBRXYDGDS-UHFFFAOYSA-N 338.794 5.460 0 1 EKAF COc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)c(Cl)c2)c1 587052327 OBRIVVISTVQQPK-UHFFFAOYSA-N 334.806 5.559 0 1 EKAF FC(F)(F)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587081499 XVYXFEVTYZRMCT-UHFFFAOYSA-N 349.743 5.238 0 1 EKAF C[C@H](c1nc2cc3ccccc3cc2[nH]1)c1ccccc1C(F)(F)F 587098740 UJHZVBMUUREBAT-LBPRGKRZSA-N 340.348 5.887 0 1 EKAF CCO[C@H](C)c1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2N)cc1 587641425 FVKDTHYFHHIWEG-LSDHHAIUSA-N 336.479 6.028 0 1 EKAF CCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810064 BTGNSPSQTUNQKI-YVEFUNNKSA-N 342.296 5.308 0 1 EKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)c1 587933038 TZIRXOURLYGFDZ-UHFFFAOYSA-N 348.377 5.059 0 1 EKAF Brc1ccc2c(c1)C1(CCCCCCCC1)NC1(CC1)C2 961618202 YDJJFHQQUBRDAP-UHFFFAOYSA-N 348.328 5.457 0 1 EKAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2[C@H](C)CC[C@@H](C)CC(C)(C)C 963728597 GZHFITXBHAXELA-JXXFODFXSA-N 325.540 6.390 0 1 EKAF CCC[C@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@@H]2CCC 13557162 MKSJBHCJLVFXFE-HOTGVXAUSA-N 348.486 5.953 0 1 EKAF CC(C)(C)CC[C@]1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CCNC1 62225300 BINJCVHVYJSTMI-KRWDZBQOSA-N 346.273 5.121 0 1 EKAF CCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21 71330883 SNSDIXWPQWSIIJ-UHFFFAOYSA-N 334.806 5.094 0 1 EKAF Cc1ccccc1[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 103272498 OTGUZHAZDVOVHZ-JIMJEQGWSA-N 346.558 7.080 0 1 EKAF CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CCN(CC)CC 142273051 GVZKQHNBCPTDAJ-ZKWNWVNESA-N 331.544 5.873 0 1 EKAF Clc1ccc2ccc(-c3nc4c(Cl)nccc4[nH]3)nc2c1Cl 587083113 HBISQMAYPPRWSL-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)cs1)O2 587408764 DFFQMACOZMLOJP-SFHVURJKSA-N 335.428 5.012 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@H](C)NC(=O)OC(C)(C)C)c2c1 587643814 XNDWNVUIKYKKMA-OCCSQVGLSA-N 330.472 5.576 0 1 EKAF CSc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1 587925224 QDVZAHZKECMCHD-UHFFFAOYSA-N 335.856 5.992 0 1 EKAF Cc1cccc(Cn2cc(CNc3cccnc3)c3ccccc32)c1 1772617899 PGRWOACIVCMCQU-UHFFFAOYSA-N 327.431 5.005 0 1 EKAF COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3CC(C)(C)CC[C@@]13C)O2 2356519775 OTQYXSRTAPOZDP-SAIGTISXSA-N 328.496 5.631 0 1 EKAF Cc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1 72139508 SFUVXMKSGPRWDY-UHFFFAOYSA-N 338.410 5.647 0 3 EKAF CCc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C(C)C)cc1 4990681 UPDSKYDBYSQPAM-UHFFFAOYSA-N 335.451 5.173 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@](=O)(O)CC(=O)O 13649972 GSWNSUNYYCLAGU-JTCWOHKRSA-N 342.416 5.151 0 1 EKAF c1ccc(CCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 13827316 YJWKPDMZHMZMRC-PGRDOPGGSA-N 330.475 5.252 0 1 EKAF CC(C)Oc1cccc([C@H]2C[C@@H]2c2ccc3cc(C(=N)N)ccc3c2)c1 28364886 AIYYJNSOLWDMRN-FGZHOGPDSA-N 344.458 5.182 0 1 EKAF CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 28572015 KIIGWQOSLMNQHN-QGZVFWFLSA-N 340.854 5.329 0 1 EKAF CC[C@H](C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 28826840 LASZSIUHSRRUPB-KRWDZBQOSA-N 345.467 6.010 0 1 EKAF in-vivo Cc1ccc(N2CCN(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 29132536 ZLVGCBYJLNKXLV-QHCPKHFHSA-N 328.459 5.016 0 1 EKAF CC(/C=C/C[C@@H](C)CCCC(C)(C)OC(C)C)=C\C(=O)OC(C)C 29309880 KZRBDLDITSYOPL-YSCAJKJXSA-N 338.532 5.841 0 1 EKAF O=[N+]([O-])c1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)cc1 34598560 PARNMRYPQGPYSI-VOTSOKGWSA-N 331.371 5.344 0 1 EKAF CC(=O)c1cccc(Nc2nccc3c2cc(-c2ccccc2)n3C)c1 74387156 JZKLAHSOBPAPHI-UHFFFAOYSA-N 341.414 5.187 0 1 EKAF Fc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1 82156110 DCBBXRFSJCTLPY-UHFFFAOYSA-N 346.430 5.577 0 1 EKAF Cc1ccc(CNc2cc(-c3ccc(C(C)(C)C)cc3)ncn2)cc1 82161442 UYLQPNZZGVXTIA-UHFFFAOYSA-N 331.463 5.362 0 1 EKAF CCOc1cc(C(C)C)ccc1[C@H]1COC(c2c(F)cccc2F)=N1 103287814 PUAYYCCQVPBTOI-QGZVFWFLSA-N 345.389 5.005 0 1 EKAF Oc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)no2)cc1 473153939 DIBGMCDSFVWEIQ-UHFFFAOYSA-N 346.411 5.260 0 1 EKAF CCc1ccc(-c2nc(-c3nc4ccc(C(C)=O)cc4[nH]3)cs2)cc1 587016425 VSQBQURIIHHPRR-UHFFFAOYSA-N 347.443 5.118 0 1 EKAF O=C1c2ccccc2-c2cc(-c3sccc3Cl)nc3cccc1c23 587208466 ACCSVCWLCRBQSF-UHFFFAOYSA-N 347.826 5.828 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC)c(Cl)cc2[nH]1 587950720 CGPCVGQQDHCSJJ-HSMVNMDESA-N 336.863 5.271 0 1 EKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(F)cnc(Cl)c2[nH]1 587951543 OAMWEZGNFUWJLG-JTQLQIEISA-N 341.773 5.044 0 1 EKAF CCn1c2ccccc2c2cc(C(=O)c3ccc(Cl)cc3)ccc21 1857775051 PVEHLRUSSIFJEZ-UHFFFAOYSA-N 333.818 5.699 0 1 EKAF CC(=O)O[C@@H]1OC=C2CC[C@@H](C(C)=C3CCCC3(C)C)C(C)(C)[C@@H]21 2356781440 IMIAJJXGLPJMII-FHWLQOOXSA-N 332.484 5.369 0 1 EKAF C[C@]1(Cc2ccc(Cl)cc2)C(=O)Nc2c(Cl)ccc(Cl)c21 61905073 JUHOLEXCDVGMCG-MRXNPFEDSA-N 340.637 5.099 0 3 EKAF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(Br)c1 25965222 RLDATGZVIQOGNJ-HZPDHXFCSA-N 349.268 5.548 0 1 EKAF Cc1c(C(=O)Cc2ccccc2)oc2cc(-c3ccccc3)cc(O)c12 27521035 DUKCHKIVSUFGCX-UHFFFAOYSA-N 342.394 5.539 0 1 EKAF C/C(=C\CN(C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 28642248 ZVKDIOGGFOIXPC-LVZFUZTISA-N 327.471 5.889 0 1 EKAF Cc1c(-c2cccc3ccccc23)nc2ccc(F)cc2c1C(=O)O 29335940 BBRPXWOVHGXDPG-UHFFFAOYSA-N 331.346 5.201 0 1 EKAF CCCc1c(C(C)C)cc(C(C)C)c(CCO)c1-c1ccc(F)cc1 38208414 YWAZMOIWLMTGSS-UHFFFAOYSA-N 342.498 6.227 0 1 EKAF investigational CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccccc2)n1 61958923 FZXHPBZLKLRZJV-UHFFFAOYSA-N 342.483 5.093 0 1 EKAF CCCCCCC1=C(c2ccccc2)[C@]2(OC(C)C)CCC[C@@H]2C1 71317619 NQIPLFBDRHOKAC-GGAORHGYSA-N 326.524 6.778 0 1 EKAF O=C(O)c1[nH]c2ccccc2c1Sc1cc(Cl)cc(Cl)c1 95583850 ZKGHGQYWGJUDSG-UHFFFAOYSA-N 338.215 5.324 0 1 EKAF CO[C@@]12CC[C@]3(C)[C@H](CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=CC(=O)O2 100829624 FCFUSYHGZLEMJM-ZBTHVOOYSA-N 346.511 5.123 0 1 EKAF endogenous,in-man c1cnc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2c1 148968937 QEAMWHTZZRBLLX-UHFFFAOYSA-N 343.430 5.788 0 1 EKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3cccc(F)c32)c1 205424226 MPSXMFHZNGMYGZ-UHFFFAOYSA-N 344.455 5.349 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)c1cccc(Cl)c1)CC2=O 587461973 MBUHKCWACCIBDI-CWTRNNRKSA-N 344.838 5.136 0 1 EKAF O=C1C[C@H](c2cccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587500763 CUKLHFWUJMFEEW-QGZVFWFLSA-N 330.786 5.064 0 1 EKAF O=C1C[C@H]([C@@H]2CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587524882 OBDRFNIAKWTPCZ-NFBKMPQASA-N 346.470 5.409 0 1 EKAF O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2cccc(F)c12)C(F)F 587633484 DKLDHZDDAZLPFY-UHFFFAOYSA-N 347.380 5.223 0 1 EKAF CC1(C)CCC(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 587961084 PKVUFCVDAVZRSV-UHFFFAOYSA-N 348.490 5.901 0 1 EKAF CCC(O)(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 13489979 XOSACJAQDPAKSG-UHFFFAOYSA-N 331.818 5.431 0 1 EKAF C[C@@H](C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1 13672479 KKDPGNCSRACGCK-CQSZACIVSA-N 326.411 5.729 0 1 EKAF CCCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756282 XMTVISLAECGBLA-BKQNDSSNSA-N 342.567 6.715 0 1 EKAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 28246658 KAEVFPPLIPHQPG-FQEVSTJZSA-N 328.525 5.049 0 1 EKAF Cc1cccc(-c2nc(CNCc3ccc(C(C)(C)C)cc3)co2)c1 72185616 ANIWSGPIQBTXEC-UHFFFAOYSA-N 334.463 5.237 0 1 EKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2oc3ccccc3c2c1 95562319 GKXAJJBHVDWLLF-RXVVDRJESA-N 345.486 6.010 0 1 EKAF CCc1oc2ccccc2c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586903975 OVRAWOBNWWZWFO-UHFFFAOYSA-N 331.202 5.845 0 1 EKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587022449 XBBVQDWEVQXUOJ-UHFFFAOYSA-N 348.475 5.063 0 1 EKAF Cc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1C 587162488 BTJSEEHFOLGFJU-ATVHPVEESA-N 348.446 5.969 0 1 EKAF FC(F)(F)Sc1cccc(Cc2cnc3cccc4c3c2CC4)c1 587210256 LQHHLMUHQFNOOL-UHFFFAOYSA-N 345.389 5.536 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)cs1)O2 587413423 NSMSXIOFGUAGSY-HNNXBMFYSA-N 341.457 5.074 0 1 EKAF CCCCCC[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523451 IZKMWUIGQQEDSY-FDDCHVKYSA-N 340.507 6.040 0 1 EKAF C[C@@]1([C@@]23C[C@@H]4C[C@H]2C[C@@H](C4)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526027 UTNHNTFULUSICA-IPCJGQKASA-N 336.475 5.116 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C)c2c1 587638395 GBBJXZFJXVTFQX-GFCCVEGCSA-N 342.280 6.419 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC(F)(F)F)cc3)c2c1 587640070 BMKANWAMKLQIHJ-GFCCVEGCSA-N 347.380 6.555 0 1 EKAF CCC(CC)c1ncc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)s1 963117893 ZMRKGUPUDSREKG-VQIMIIECSA-N 344.499 5.296 0 1 EKAF CN(c1cccc(F)c1)c1nc(-c2ccccc2)nc2ccccc12 1857564516 QTFMREGMWNPCDH-UHFFFAOYSA-N 329.378 5.204 0 1 EKAF CC[C@H](C)CCCCCC=C[C@H](C)[C@@H](O)CCCCCC(=O)O 2356488393 KUETZEFEIMFMOF-FHWLQOOXSA-N 326.521 5.571 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1c(C)cc(O)c2c1OC(C)(C)C=C2 15120578 FBTFUGPYAYRHHG-MHWRWJLKSA-N 326.480 6.120 0 1 EKAF CSc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 35067601 HQOYRLKAIJOQPD-UHFFFAOYSA-N 343.455 5.762 0 1 EKAF Fc1cccc(Cl)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1 45299582 UPDKFTRFTCTKOB-UHFFFAOYSA-N 348.808 6.135 0 1 EKAF COc1ccc2c(c1)CC[C@@H](Cc1ccccc1-c1ccccc1)C2=O 64417353 PYYMPYPIZNKUNB-FQEVSTJZSA-N 342.438 5.350 0 1 EKAF CCCC/C=C\C/C=C\CCCCCCc1cccc(OC)c1OC 238785739 QKVPVZPGUUHBMD-NQLNTKRDSA-N 344.539 6.890 0 1 EKAF CC[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586891485 RFOVFLNPKLKRQJ-TVQRCGJNSA-N 336.279 5.504 0 1 EKAF Cc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050136 OSBROBZMKDTPBW-UWVGGRQHSA-N 335.209 5.588 0 1 EKAF CCCCC[C@]1(C(C)(C)C)CC(=O)c2ccc(O)c(CCC)c2O1 587488679 KKHMLKTWGOLUBH-OAQYLSRUSA-N 332.484 5.675 0 1 EKAF O=C1C[C@H](c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509406 SDILWTUICPJEBP-GOSISDBHSA-N 346.348 5.291 0 1 EKAF CC/C=C\CCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522631 GCXUEXARKJWGKI-LLHWWHOWSA-N 340.507 6.206 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(OC(C)(C)C)cc3)n2)cc1C 587920072 COHISSXYPAIWKQ-UHFFFAOYSA-N 337.488 6.271 0 1 EKAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@H]3CC[C@]12C 2356315334 OLUAAWREULLCHM-PPUJWOGTSA-N 330.512 5.517 0 1 EKAF O=C(O)CCCCCCc1ccsc1C(=O)CCc1ccccc1 26939873 NLSFSUYAWXIBDS-UHFFFAOYSA-N 344.476 5.141 0 1 EKAF O=C(O)Cc1ccccc1Oc1cc(Cl)c(Cl)cc1Cl 28766133 GXVFEYFNTLFSDG-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2)c(O)c1 28822122 XKFBIUKAHKJONV-UHFFFAOYSA-N 326.480 6.316 0 1 EKAF in-vivo Clc1ccc([C@@H](CCCc2ccccc2)[C@@H]2CCCCN2)cc1 35090461 FZAYBHQQLZFDLP-RTWAWAEBSA-N 327.899 5.589 0 1 EKAF in-vitro COC(=O)[C@@H]1N=C1/C=C\CCCCCCCCCCCC(C)(C)C 53213849 YMUZLNSHFIXRTR-WLGQOEQESA-N 335.532 5.876 0 1 EKAF CCCCN(Cc1coc(-c2ccccc2Cl)n1)c1ccccc1 72102748 BVCRBISRFVHEER-UHFFFAOYSA-N 340.854 5.802 0 1 EKAF c1ccc2cc(Oc3cc(NCC4CCCCC4)ncn3)ccc2c1 82067707 VSHBQVULFQSDQD-UHFFFAOYSA-N 333.435 5.414 0 1 EKAF c1coc(-c2cc(-c3cccs3)nc3c2CCc2ccccc2-3)c1 299818844 CTFLGABSBSRLPD-UHFFFAOYSA-N 329.424 5.836 0 1 EKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCCO4)cc3)cc12 584618996 RFJJQFMBYPRFFI-SFHVURJKSA-N 341.794 5.038 0 1 EKAF Cc1c(Cl)ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587053807 ISDPVAWVAJYKET-VMPITWQZSA-N 337.637 6.002 0 1 EKAF Fc1cc(Cc2nc3ccnc(Cl)c3[nH]2)ccc1-c1ccccc1 587145973 YCWURFFVOMQRAH-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587157641 CHJGWEGALZRVRW-UHFFFAOYSA-N 344.389 5.465 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587163025 ZIWWMFFZHDPTSO-NEPJUHHUSA-N 338.279 5.131 0 1 EKAF CC(C)C[C@@H](C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206121 KJDMWNZEYCNZMO-OAHLLOKOSA-N 329.443 5.671 0 1 EKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCCCC2)N1 587820017 NTWSWOQSIQFYDX-BDJLRTHQSA-N 340.280 5.134 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587952616 USJSMGWAGQXXKY-BREBYQMCSA-N 342.817 5.541 0 1 EKAF CCC(CC)c1ncc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)s1 963117886 ZMRKGUPUDSREKG-APWZRJJASA-N 344.499 5.296 0 1 EKAF CC1CCN(CCCCCCOc2cccc3ccccc23)CC1 1857751668 UOBNIVPGUOVZCW-UHFFFAOYSA-N 325.496 5.511 0 1 EKAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356534750 QDSWHJNTSPBQME-NSGGIEJNSA-N 330.468 5.164 0 1 EKAF Cc1cc(O)c(Cl)c(Oc2c(Cl)c(C)cc(O)c2Cl)c1 14722076 QPVDWOREWKDUHK-UHFFFAOYSA-N 333.598 5.467 0 1 EKAF biogenic CCCC[C@@H](c1cccnc1)c1ccc(Oc2ccccn2)c(OC)c1 40847146 ATPRVJWCGOUUJK-LJQANCHMSA-N 348.446 5.600 0 1 EKAF c1ccc2c(c1)Sc1ccccc1N2CCCCN1CCCCC1 53156519 DWTXADQCLUHMRS-UHFFFAOYSA-N 338.520 5.555 0 1 EKAF Oc1cccc([C@@]23CCC[C@@H](C2)N(C[C@H]2C[C@@H]2c2ccccc2)CC3)c1 66074822 BJIZSNKTBYAOCG-NZRJUOQRSA-N 347.502 5.082 0 1 EKAF CCCCc1ccc(O)c(-c2cc(CCCC)cc(Cl)c2O)c1 73310742 VJTYCLAYHSFJJY-UHFFFAOYSA-N 332.871 6.103 0 1 EKAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(C(C)C)ccc3c2)C[C@H]2CC[C@H]1N2C 100883041 OBQNBIYHGKLYKZ-AZKZNFPZSA-N 349.518 5.509 0 1 EKAF Cc1ccc(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1 586963807 QLSFXEYSOCNUJF-UHFFFAOYSA-N 338.263 5.174 0 1 EKAF COc1cccc(-c2ccc(-c3nc4cc(C)cnc4[nH]3)c(Cl)c2)c1 587051594 FAVGEYVPHYPRKD-UHFFFAOYSA-N 349.821 5.262 0 1 EKAF CC[C@]1(c2cccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505661 PPAGAOTVJGJSCH-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF Cc1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587629014 XZBUFACZGJATSK-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(F)(F)F)cc1 587629542 AZUSBIGXQVCNDM-UHFFFAOYSA-N 343.707 5.655 0 1 EKAF Fc1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c2c1Cl 587630072 QGGZTDHNNRIHQB-UHFFFAOYSA-N 327.708 5.570 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cnn(CC)c3)c2c1 587643005 QRYPCMYZWXGMHE-LLVKDONJSA-N 345.393 5.066 0 1 EKAF CC(C)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809539 ALFBLOHYYVKTDZ-PXAZEXFGSA-N 342.296 5.020 0 1 EKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc3nc(C)ccc3c2[nH]1 587951888 JJYTYFBOAQOSJA-RFUYNDQBSA-N 337.467 5.466 0 1 EKAF CC1(C)CCC(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 587961426 FTJBETFDNYCRHO-UHFFFAOYSA-N 344.808 5.994 0 1 EKAF CC1(C)CCC(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 587963794 SZSXKLMBJJAHTN-UHFFFAOYSA-N 328.353 5.480 0 1 EKAF Clc1cccc(Nc2nnc(-c3cccc(-c4cccnc4)c3)o2)c1 1772642983 TZIDPMDPFVVQSG-UHFFFAOYSA-N 348.793 5.196 0 1 EKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1OC 13742201 YRSOIYGVOCKQEO-UHFFFAOYSA-N 334.419 5.278 0 1 EKAF CSc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1 13796366 UQDWRYPLIVQNCA-UHFFFAOYSA-N 336.526 5.228 0 1 EKAF CCCC[C@H](CC)C/C=C1\C[C@H](C(=O)OCC)Oc2ccccc21 13816088 YIUAKHWCTFVMNC-OPVVBCIZSA-N 330.468 5.391 0 1 EKAF CCCc1sc(-c2ccccc2)nc1OC(=O)Nc1ccccc1 13822619 QWWDTGSULXUJKA-UHFFFAOYSA-N 338.432 5.374 0 1 EKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3ccc(OC)cc32)cc1 13829839 CUVDZKHXIYZNDB-REWPJTCUSA-N 346.426 5.360 0 1 EKAF CN(C)CCSc1nc2ccccc2cc1-c1ccc(Cl)cc1 26376577 BOWJXHWMIHYCPV-UHFFFAOYSA-N 342.895 5.209 0 1 EKAF CCC[C@]1(c2ccccc2)OC2(CCC(N(C)C)CC2)c2ccccc21 27711960 ONBIEUZATWULEM-VZYOYLOZSA-N 349.518 5.460 0 1 EKAF Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043640 PFUXODWITQFWRK-ZDUSSCGKSA-N 338.882 6.494 0 1 EKAF CCCCSC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 29394702 TWKDFLVEFVJYBM-NHCUHLMSSA-N 344.520 5.909 0 1 EKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\C(=O)O)C(=O)O 33997322 XNZYMBLMYICBGE-ABTLALLYSA-N 334.456 5.281 0 1 EKAF Cc1ccc(C(SCCN)(c2ccccc2)c2ccc(C)cc2)cc1 95608636 ONDPTBMGAHJQJQ-UHFFFAOYSA-N 347.527 5.287 0 1 EKAF CN1[C@H]2CC[C@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2 100897364 UJEVDHRYUSUDHU-VXKWHMMOSA-N 335.491 5.056 0 1 EKAF C/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(\C)CCCc1ccoc1 144393438 PPIHVFQOURPZJE-IXOQCXPVSA-N 332.484 6.166 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@H](C)N1CCC([C@H](C)CO)CC1 253634150 CCOUQBSRJCGJNY-ZCNNSNEGSA-N 325.581 5.348 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032978 OKPKXPIMAKKQFJ-UHFFFAOYSA-N 333.460 5.188 0 1 EKAF Cc1cc(C)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113741 YPCMLSRDWVVHOM-UHFFFAOYSA-N 341.336 5.414 0 1 EKAF CC(C)(C)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587153327 YLGJLMYMQVXETC-OLZOCXBDSA-N 326.390 5.410 0 1 EKAF CC(C)=CCC[C@H](C)c1cnc2cccc3c2c1-c1ccccc1C3=O 587206502 DYUJCMGXJCSKKJ-INIZCTEOSA-N 341.454 6.296 0 1 EKAF COc1cc2c3c(c1)O[C@@](CC1CCCCC1)(C(C)(C)C)[C@@H](C2)C3=O 587445235 IZJAEZAUELGEED-HTAPYJJXSA-N 342.479 5.198 0 1 EKAF CC/C=C\CCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477526 CNXGMSBCBOTSBL-KEGWNNHHSA-N 344.495 5.985 0 1 EKAF Cc1ccc2c(ccc3nc(/C=C\c4cccc5ccccc45)[nH]c32)n1 587968691 NZONLORNKNFERT-UVTDQMKNSA-N 335.410 5.743 0 1 EKAF COc1c(C)cc(C)cc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962657304 APVDVKMQCPVYEO-QHCPKHFHSA-N 343.470 5.214 0 1 EKAF CC(=O)CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 2356447756 CIIWZLVTUAUIGG-FBXRNIIYSA-N 348.527 5.635 0 1 EKAF COC(=O)[C@H](C)C=CC=C(C)C1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356805751 ZWNCGUAPZPVWIM-PWHSHALESA-N 344.539 6.241 0 1 EKAF CCOc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 73165126 UAFDCALRAPKLSH-UHFFFAOYSA-N 339.218 5.022 0 1 EKAF Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1Cc1ccccc1 84617640 PCILJRAQHZSBCZ-UHFFFAOYSA-N 348.755 5.114 0 1 EKAF Cc1cccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299840678 YMKIEQRAGKLOPM-GOSISDBHSA-N 336.262 5.031 0 1 EKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C 587099916 XOIXOJASEYSXHO-UHFFFAOYSA-N 349.433 6.038 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)C)C4)-c1ccccc1C2=O 587100581 LJFUXXXEYQJRNT-OAHLLOKOSA-N 341.454 5.516 0 1 EKAF Oc1ccc(Nc2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1 587241681 GBDVIVDJEAUFIG-UHFFFAOYSA-N 335.794 5.333 0 1 EKAF CC(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356686 RCDQVSRNAIVDTI-CTNGQTDRSA-N 342.410 5.085 0 1 EKAF CC[C@@H](C)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366060 PRSFCZDKZVTBOD-OAHLLOKOSA-N 345.442 6.245 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CCCC[C@@H]31)CC2=O 587483307 QBYCMUMEJFCUPM-DAESXHAQSA-N 328.452 5.039 0 1 EKAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(Cl)c3[nH]2)cc1 587932625 HVSKCNZHUBKHOT-LJQANCHMSA-N 348.833 5.405 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587952619 USJSMGWAGQXXKY-NRUUGDAUSA-N 342.817 5.541 0 1 EKAF CCC[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C 587954844 GMEHKTIQNMSYEV-VIFPVBQESA-N 335.320 5.152 0 1 EKAF Cc1cnc(Cl)c2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587959213 MNRBYIQTRZNTIK-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)c(F)cc2[nH]1 587966724 FZLWFJRSTRLAHF-XFFZJAGNSA-N 337.236 5.614 0 1 EKAF CC/C(=C/c1nc2ccc(Br)cc2[nH]1)c1ccc(C)cc1 587968555 UOYAJFUKSWHMAZ-RAXLEYEMSA-N 341.252 5.584 0 1 EKAF COc1ccnc(Nc2nc(-c3oc4ccccc4c3C)cs2)c1 621429277 WEIDSJZYTMONPP-UHFFFAOYSA-N 337.404 5.012 0 1 EKAF CCCCC/C=C\C/C=C\CCCCCCCCOC(CO)CO 13479526 WHEFZTXZBXGLQN-HZJYTTRNSA-N 340.548 5.170 0 1 EKAF Fc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1 13809638 UPWBBBQTTVWBOF-UHFFFAOYSA-N 346.409 5.067 0 1 EKAF Cc1ccccc1[C@@H](Cc1ccc(Cl)cc1Cl)Cn1ccnc1 33493854 LTDDIFVIJSDGRA-INIZCTEOSA-N 345.273 5.525 0 1 EKAF O=C(Nc1ccccc1)c1ccc(-c2ncccc2C(F)(F)F)cc1 40575301 XQOULQRDHPAZQD-UHFFFAOYSA-N 342.320 5.020 0 1 EKAF FC(F)(F)c1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 72175489 QLOMCFMHBWYDGU-UHFFFAOYSA-N 341.336 5.347 0 1 EKAF Cc1cc(Cl)ccc1Oc1coc(/C=C/c2ccccc2)cc1=O 141718907 DXFKOBLBXDGXLQ-VQHVLOKHSA-N 338.790 5.564 0 1 EKAF C/C1=C/CC[C@]2(C)C=Cc3c(cc4c(c3C/C(C)=C\CC1)OCO4)O2 207899275 KUXTYWCKIQNOGF-QLPJAZOTSA-N 338.447 5.589 0 1 EKAF CC/C=C/C/C=C/C/C=C/CC/C=C(\Cl)O/C=C/CCC(=O)O 238766593 XRPUZVSLHOLHTQ-NAZLLVOISA-N 338.875 6.101 0 1 EKAF CC(C)CN=c1[nH]cc(-c2ccncc2-c2ccccc2Cl)s1 473114898 PHZLYXIMKGBQIA-UHFFFAOYSA-N 343.883 5.015 0 1 EKAF Oc1ccc(C(=C2CC[C@H]3CCCC[C@@H]3C2)c2ccc(O)cc2)cc1 584904983 WEMBKOCKJAUOFA-VQIMIIECSA-N 334.459 5.890 0 1 EKAF in-vitro Cc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994221 QKIDIVAUUIJEGH-UHFFFAOYSA-N 343.407 5.189 0 1 EKAF CC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084262 VZWOSCHJRQQWDU-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)C)CCC4)-c1ccccc1C2=O 587099995 CJFAXNXBWULDMB-HNNXBMFYSA-N 341.454 5.831 0 1 EKAF Cc1cncc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587163475 JMYQLGUOINVTDF-DHDCSXOGSA-N 335.407 5.056 0 1 EKAF C[C@@]1(Cc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502849 FXHPQIGBPHOTRD-OAQYLSRUSA-N 340.850 5.185 0 1 EKAF CSc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531062 FHCNXFUQRNMVGC-OAQYLSRUSA-N 338.472 5.168 0 1 EKAF O=C1C[C@@H](c2cc(-c3ccccc3)co2)Oc2c1ccc1c2CCCC1 587532689 MXOIHHPTGZRUNY-QFIPXVFZSA-N 344.410 5.532 0 1 EKAF Cc1c(-c2ccccc2Br)[nH]c2c(C)cc(Cl)cc12 587623582 JRKRJKFQFWRPGG-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF CCOc1ccccc1-c1nc(-c2ccc(SC)cc2)cs1 587924564 CWQWHNCFIWEAAF-UHFFFAOYSA-N 327.474 5.598 0 1 EKAF CSc1ccc(-c2csc(CCNc3ccc(C)cc3)n2)cc1 587926365 XQIABILCTZLFFB-UHFFFAOYSA-N 340.517 5.495 0 1 EKAF Cc1ccc(C)c(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587959758 UVZVHRMSUKIYTO-UHFFFAOYSA-N 338.760 5.443 0 1 EKAF CC/C(=C\c1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(C)cc1 587967068 KPFJBRGAPXIURI-DTQAZKPQSA-N 327.431 5.679 0 1 EKAF CC(C)=CCC/C(C)=C\c1nc2c(C)c(Br)cnc2[nH]1 587969252 XGIAHDSBSGPBGC-FLIBITNWSA-N 334.261 5.179 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1F)C1CCC1 963230354 PHFWTOCBMVZTBT-UZUQRXQVSA-N 337.482 5.526 0 1 EKAF COc1ccc(CN2c3ccccc3Sc3ccccc32)cc1F 1772646994 VUORHFSCOSCKAG-UHFFFAOYSA-N 337.419 5.637 0 1 EKAF CC1=C2C[C@@]3([C@@H]4C=C[C@@H]5CCC[C@]56C[N@]46)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356366128 AODNXKJFRNSFJW-OQMOIEQVSA-N 337.551 5.722 0 1 EKAF CC(=O)O[C@@H]1OC=C2CC[C@@H](C(C)=C3CCCC3(C)C)C(C)(C)[C@H]21 2356781442 IMIAJJXGLPJMII-OTWHNJEPSA-N 332.484 5.369 0 1 EKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 5978525 QKLOHIAMQQCGHP-KYJSFNMBSA-N 347.911 5.699 0 3 EKAF CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccccc1 13558575 GUAPZQZUCCDQKC-UHFFFAOYSA-N 340.422 6.549 0 1 EKAF Cc1cc(O)c2c(c1)O[C@@](C)(CC[C@@H]1C(CO)=CCCC1(C)C)C=C2 14708638 NPUGLJKNYBKFHS-XMSQKQJNSA-N 342.479 5.000 0 1 EKAF biogenic Nc1nc(=S)[nH]c2ccc(Sc3ccc4ccccc4c3)cc12 25970537 UAZUKMLXGIJJRM-UHFFFAOYSA-N 335.457 5.179 0 1 EKAF C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCC1=CC(=O)OC1 49053856 WCHKEOQZUQGPSS-ZTRBTYSCSA-N 328.452 5.539 0 1 EKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C/CCCCCC(=O)O 84559315 JALSVOZEVSMDLQ-JCEPIVMJSA-N 348.527 5.968 0 1 EKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(OC3CCCCC3)cc21 143493375 TZYIPEYITGUTSO-IBGZPJMESA-N 348.364 5.177 0 1 EKAF CCCCC[C@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CCCC=C12 253710726 XMTVISLAECGBLA-MKGWNMNFSA-N 342.567 6.715 0 1 EKAF O=C1OCC(c2ccccc2)=C1c1ccc(Oc2ccc(F)cc2)cc1 299841194 YNCAVGKALDNUFL-UHFFFAOYSA-N 346.357 5.086 0 1 EKAF Fc1c(Cl)cc2nc(CCc3cc4ccccc4o3)[nH]c2c1F 586903010 FHAREOJXEIVBSG-UHFFFAOYSA-N 332.737 5.026 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(F)cc4[nH]3)c2)c1 587160455 SJACBPODBCBFPV-UHFFFAOYSA-N 336.341 5.184 0 1 EKAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587501452 ASEYLRUJURHNFO-OAQYLSRUSA-N 340.850 5.408 0 1 EKAF Cc1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587565869 VYRUHZZULNGGIW-UHFFFAOYSA-N 346.455 5.602 0 1 EKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(Cl)cnc1Cl 587628531 NFHNSTOOLHNJMN-UHFFFAOYSA-N 329.589 5.638 0 1 EKAF Clc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1Cl 1857764706 BUZZXBFSSZLRJQ-UHFFFAOYSA-N 331.158 5.457 0 1 EKAF CCOc1cccc(-c2ccc3c(c2)Nc2ccccc2NC3=O)c1 28710717 XYHMVUUDJPBLHH-UHFFFAOYSA-N 330.387 5.062 0 1 EKAF Oc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 34172405 RMICSEYOBOALHT-UHFFFAOYSA-N 338.410 5.535 0 1 EKAF O=C1CCCC[C@H]1[C@@H](Nc1ccc(F)cc1F)c1ccc(F)cc1 66258956 QJCAFBAPMUAMDD-BEFAXECRSA-N 333.353 5.016 0 1 EKAF CC(C)c1ccc(-c2cc(N[C@H](C)CCc3ccccc3)ncn2)cc1 82161892 BPQXTFQLXNAKEU-GOSISDBHSA-N 345.490 5.700 0 1 EKAF Oc1cccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1 205423001 SQIHXMJEWHKVEK-UHFFFAOYSA-N 341.435 5.754 0 1 EKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586888537 KNGZGWNUHCSYRQ-QLJPJBMISA-N 335.234 5.015 0 1 EKAF OCCCCCCCCCCCc1nc2ccc3c(c2[nH]1)CCCC3 586894526 KIRQCFZMFQYSID-UHFFFAOYSA-N 342.527 5.487 0 1 EKAF CC[C@@H](C)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587102300 ZZHKWRWBWZZHOZ-HIFRSBDPSA-N 341.454 5.516 0 1 EKAF Cc1cccc([C@H]2Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)c1 587208387 VDYQAHHEFIHOBM-LJQANCHMSA-N 347.417 5.443 0 1 EKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCCCC1 587210269 MBKGQOQVRQNOAL-UHFFFAOYSA-N 332.422 5.130 0 1 EKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587242349 TVXVXBUQXRMKEU-UHFFFAOYSA-N 345.805 5.007 0 1 EKAF O=C1C[C@]2(CCCCc3ccccc32)Oc2c1ccc1c2CCCC1 587527971 YCKAMYDMSFAMAY-QHCPKHFHSA-N 332.443 5.153 0 1 EKAF Fc1cc2c(OC(F)(F)F)c(-c3ccccc3)[nH]c2cc1Cl 587630239 WLOPTDRWRFHKKX-UHFFFAOYSA-N 329.680 5.526 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c([C@@H](C)C(=O)O)c2c1 587643760 WKNXQOVIVGXWAR-CHWSQXEVSA-N 339.410 5.676 0 1 EKAF CC(C)(C)Oc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920087 DMPBWBMYJXJLTE-UHFFFAOYSA-N 343.879 6.308 0 1 EKAF Oc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793857 GQJCXHWNAOFJPH-MRXNPFEDSA-N 340.854 5.634 0 1 EKAF CC(C)CCCCCCCCCCCCCCCCC[C@@H](O)CO 2356459769 YGLGPUVWRMLSQV-JOCHJYFZSA-N 342.608 6.627 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3(CC[C@H]21)C4 2356693330 GFQMRZFTUAYSTG-ZEOIANDVSA-N 330.512 5.519 0 1 EKAF COc1cc(OC)c2c(-c3ccccc3)cc(C3CCCCC3)nc2c1 61936233 SKIUHMXXDGBAPX-UHFFFAOYSA-N 347.458 5.967 0 3 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1ccc2c(c1)OCO2 205706657 AMVGRWZVXHBAPZ-JMARDNNUSA-N 345.439 5.103 0 3 EKAF CCc1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 4810034 WYKHZCQTFQGUQH-AKJHWKIKSA-N 347.458 5.244 0 1 EKAF CN(C)CCSC1=Cc2ccccc2Oc2ccc(Cl)cc21 27554204 JUZIIKKOCASNIT-UHFFFAOYSA-N 331.868 5.239 0 1 EKAF C[C@@H](C#N)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36323269 PLXBBKZSBILMTD-IAQLINMISA-N 325.496 5.294 0 1 EKAF Clc1ccc2c(c1)C[C@H]1C[C@@H](c3c(Cl)cccc3Cl)N2O1 53313121 SJGFBPRXCRZNTJ-NHYWBVRUSA-N 340.637 5.455 0 1 EKAF CCCCc1ccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)cc1 82167602 FRGPCLLHUTVPAG-OAQYLSRUSA-N 343.474 5.586 0 1 EKAF CCCCCCc1cn([C@H](C)c2ccc3oc4ccccc4c3c2)nn1 84758931 WVJOIZUNGMGVEA-MRXNPFEDSA-N 347.462 5.910 0 1 EKAF O=C(O)CCCCCCCCC/C=C\CCCCCCCCF 169621980 RVGXQPKNVYMEAH-IWQZZHSRSA-N 328.512 6.838 0 1 EKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4ccccc4cc3[nH]2)s1 587015185 ZUNVVVUNPSVXCV-GFCCVEGCSA-N 337.448 5.246 0 1 EKAF C[C@H](c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587097801 KOXWNRFYOSCWRA-QMMMGPOBSA-N 326.268 5.012 0 1 EKAF CCC(CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349941 CYEASWXMRDXTII-CTNGQTDRSA-N 342.410 5.085 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C)ccc3o1)CC2=O 587485197 TYVNCMLLUJWPFJ-HXUWFJFHSA-N 336.387 5.106 0 1 EKAF Cc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587527866 VDPJRKVKIFKRDX-QFIPXVFZSA-N 343.426 5.129 0 1 EKAF CSc1ccc(-c2csc(-c3cccc4ccccc34)n2)cc1 587924542 BYYSBJYOAWDUBS-UHFFFAOYSA-N 333.481 6.352 0 1 EKAF Brc1cccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587968327 MUDKHFPLPQKCAA-QXMHVHEDSA-N 349.231 5.649 0 1 EKAF C[C@@H](CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O 13729640 FCBKQQQUBFIBRZ-INIZCTEOSA-N 349.430 5.172 0 1 EKAF CCCN(CCC)[C@@H]1CCc2c(F)ccc(-c3cccs3)c2C1 13759320 XQAPPINGDDOWEW-OAHLLOKOSA-N 331.500 5.534 0 1 EKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1C(C)(C)CCC[C@@]13CO3)C=C2 14708619 OAQYEIUJYLXPKM-ILWGZMRPSA-N 342.479 5.240 0 1 EKAF biogenic CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCN)c2ccc(O)cc21 26578864 SQHZZYRZGACALB-FQEVSTJZSA-N 337.463 5.035 0 1 EKAF CCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCC4)c3c2C)cc1 28757585 SKWBKIZBGPUXHN-UHFFFAOYSA-N 349.478 5.402 0 1 EKAF c1ccc(CCc2ccccc2OCCCCN2CCCCC2)cc1 29484896 WPXLOUVPKILTRK-UHFFFAOYSA-N 337.507 5.117 0 1 EKAF c1ccc(CNc2ccccc2COc2cccc3scnc23)cc1 64512643 FAZGDYNTRLGXMD-UHFFFAOYSA-N 346.455 5.487 0 1 EKAF Cc1cc(Cl)ccc1-c1nsc(-c2ccc(Cl)cc2C)n1 73219316 XDNSCFJLFWJLJR-UHFFFAOYSA-N 335.259 5.796 0 1 EKAF CC(=C/C(=O)O)/C=C/C=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 256090413 JMPZTWDLOGTBPM-NPPIFRADSA-N 340.507 6.272 0 1 EKAF investigational Fc1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1C(F)(F)F 586882842 CHNGLCXOJFCCHH-BHGXRVDKSA-N 338.348 5.189 0 1 EKAF Clc1ncc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)s1 587023900 WPNDIFPOGYHAEM-UHFFFAOYSA-N 327.796 5.132 0 1 EKAF Clc1ccccc1CCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587057496 AFXNGACVDXRFCK-UHFFFAOYSA-N 348.833 5.794 0 1 EKAF Clc1ccc(CCc2cnc3cccc4c3c2CC4)cc1Cl 587209678 VYDSZVYRTIAABL-UHFFFAOYSA-N 328.242 5.425 0 1 EKAF O=C(Cc1ccc(-c2ccccc2)cc1)c1coc2ccc(Cl)cc12 587276983 XZOOZRUBINIMOP-UHFFFAOYSA-N 346.813 6.179 0 1 EKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccccc3)[nH]c12 587624918 WICFHGZREFMCNR-UHFFFAOYSA-N 337.728 5.542 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2Cn2ccnc2)cc1 587626117 DBTWGSFTPNTKGG-UHFFFAOYSA-N 335.838 5.350 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(F)(F)F)c2c1 587642133 PAKQROKBVSXUJV-LLVKDONJSA-N 335.344 6.506 0 1 EKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587951851 IZOACGKQADNQNN-UTLUCORTSA-N 344.352 5.166 0 1 EKAF CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@@H]12 685935473 RINKJBMSKXPWBE-KFBASKFNSA-N 344.495 5.340 0 1 EKAF biogenic,in-vitro Cc1cc2c(cc1F)[C@@]1(CCC[C@@H](c3c(C)cccc3C)C1)NCC2 962091119 JGRCCNMAFYISHK-XXBNENTESA-N 337.482 5.450 0 1 EKAF Cc1cccc([C@@]2(CC(C)(C)C)NCCc3c2sc(C)c3C)c1C 963024493 NOZXVVJAWJPQSB-JOCHJYFZSA-N 341.564 5.807 0 1 EKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(O)c2)c1 1772628744 REYVCEPLQOPGTM-UHFFFAOYSA-N 338.794 5.357 0 1 EKAF Cc1ccc(C2=Nc3cc(C)ccc3NC(c3ccc(F)cc3)=N2)cc1 6743659 WRVICROFNZUXKG-UHFFFAOYSA-N 343.405 5.393 0 1 EKAF CCC1=N[C@H](c2ccccc2)c2ccccc2[C@H](c2ccccc2)N1C 13600368 CKNBSYUQDPSTTN-RPWUZVMVSA-N 340.470 5.619 0 1 EKAF Fc1ccc2c([C@H]3Nc4ccc(Cl)cc4[C@H]4OCC[C@@H]34)c[nH]c2c1 28759285 VDFDUOXSAPLVNO-AGRHKRQWSA-N 342.801 5.205 0 1 EKAF COC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3s2)c1 29242087 QFQBBFQQTSNMMF-UHFFFAOYSA-N 332.812 5.103 0 1 EKAF C/C=C/C=C/C/C=C\CCCCCCCCCc1cc(O)ccc1O 34646942 OILIDQCJCUQAGV-YCLNNTPMSA-N 342.523 6.840 0 1 EKAF biogenic,in-vitro CCN(CC)CCCCCSc1ccnc2cc(Cl)ccc12 45495741 YXXXPEPIYSSHJU-UHFFFAOYSA-N 336.932 5.492 0 1 EKAF CCCCCN(CCCCC)C(=O)c1coc(-c2ccccc2)n1 72118313 NSJCPYMFWNFMHI-UHFFFAOYSA-N 328.456 5.164 0 1 EKAF CC(C)CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 103265779 XFSCRCQNAKRXLP-HXUWFJFHSA-N 339.870 5.065 0 1 EKAF O=c1ccc([C@@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]3CC[C@@H]3CCCC[C@H]32)co1 263636623 HAJGVUYNXHQLER-WEGIOPOJSA-N 326.480 5.376 0 1 EKAF Cc1ccc(CSCCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586970185 BEWYZFQXAUEAHZ-UHFFFAOYSA-N 339.508 5.040 0 1 EKAF CC[C@@H](C)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991066 QTXBNSPHBQVJDP-OLZOCXBDSA-N 343.426 5.228 0 1 EKAF Cc1ccc(-c2nc(-c3nc4ccc(OC(C)C)cc4[nH]3)cs2)o1 587017206 SPHGGYAVIQJUSZ-UHFFFAOYSA-N 339.420 5.042 0 1 EKAF Cc1c(Cl)ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079224 BNGZGZFYCGVTRS-UHFFFAOYSA-N 330.218 5.181 0 1 EKAF COc1cc(C2(c3nc4cccc(C(C)(C)C)c4[nH]3)CC2)ccc1C 587926514 IDYHNEMRXVJFJF-UHFFFAOYSA-N 334.463 5.257 0 1 EKAF CCCCCc1cc(O)c2cc(Cl)cc(Br)c2n1 1911585237 VBMFRSYOKXGCJL-UHFFFAOYSA-N 328.637 5.089 0 1 EKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1n3c(cc4ccccc43)C[C@]12C 2356460276 OZJHCMYAXLCFKU-IYRWYFENSA-N 335.491 5.550 0 1 EKAF CCCCCCNC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12 1535099 SVHWOYODYBUWLL-UHFFFAOYSA-N 334.463 5.074 0 1 EKAF in-vivo CCCC(=O)Nc1c2c(nc3ccccc13)CC[C@H](c1ccccc1)C2 29307822 LGJBNGNHFJSLDJ-KRWDZBQOSA-N 344.458 5.246 0 1 EKAF CC(=O)O[C@H]1C(=O)[C@H]2[C@@H]([C@H](C)CCC=C(C)C)CC/C(C)=C/CC[C@H]21 40896771 SOAIWELMVRCOAD-NIBDDCENSA-N 346.511 5.252 0 1 EKAF C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12 49072681 GDVOQNXWYQVYJH-INIZCTEOSA-N 336.504 5.086 0 1 EKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 169294179 IRFOEHYGMSKERJ-OJAWGZOXSA-N 349.449 5.046 0 1 EKAF COc1ccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c(C)c1 223800555 MWRQOMQLAAWVGK-UHFFFAOYSA-N 349.821 5.034 0 1 EKAF CC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)cc2c1OC(C)(C)C=C2 238775383 IJVBICLYLYPOJK-CXUHLZMHSA-N 340.463 5.804 0 1 EKAF CCCC(Br)(CCC)c1nc2cc(C)c(Cl)cc2[nH]1 586970271 CSCLGAHIBGWENV-UHFFFAOYSA-N 343.696 5.715 0 1 EKAF Cc1cc(Cl)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587134887 QDGRIXQQCDLFBB-UHFFFAOYSA-N 346.736 5.037 0 1 EKAF CCc1c(Cc2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587206022 JNCCVLHWTLWXLO-UHFFFAOYSA-N 349.433 5.599 0 1 EKAF CCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207805 WNFADXDTVKMUNH-UHFFFAOYSA-N 335.406 5.676 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc(C)cc13)CC2=O 587483200 LKLSMKHOAUTKOI-FQEVSTJZSA-N 349.430 5.149 0 1 EKAF O=C1C[C@H](c2c(Cl)ccc(F)c2F)Oc2c1ccc1c2CCCC1 587504259 IFGNSVHCFFKMAJ-MRXNPFEDSA-N 348.776 5.204 0 1 EKAF O=C1C[C@@H](c2cccc(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587527484 XBVNWYGSYBVLSD-QFIPXVFZSA-N 348.442 5.061 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(CN(C)C)c2c1 587643993 YIFZFSVYJMFNEM-OAHLLOKOSA-N 336.479 5.419 0 1 EKAF c1ccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)nc1 621429262 SNMSHSBXZBNQMM-UHFFFAOYSA-N 336.445 5.072 0 1 EKAF c1coc(CN2CCc3sccc3[C@]23C[C@H]2C[C@@H]3[C@@H]3CCC[C@@H]23)c1 962705139 KCQNVCXEEOMJIH-LPNGCTPJSA-N 339.504 5.051 0 1 EKAF CC1=C[C@H]2c3c([nH]c4ccccc34)[C@H](c3c[nH]c4ccccc34)[C@H]2CC1 5757775 JJBFCBBFYLXEGZ-CECAUBDESA-N 338.454 6.235 0 1 EKAF c1ccc(-c2ccccc2O[C@H](c2ccccc2)C2CCNCC2)cc1 13530825 FLGYYSHYPROZJQ-XMMPIXPASA-N 343.470 5.473 0 1 EKAF CCOC(=N)c1ccc([C@H](CC)[C@H](CC)c2ccc(O)cc2)cc1 27517408 LCKAQQUXGXLMEP-VQTJNVASSA-N 325.452 5.441 0 1 EKAF NC[C@H](CCCSc1ccc2ccccc2c1)c1ccc(F)cc1 27768473 KRDPPJHKVLHWQK-IBGZPJMESA-N 339.479 5.594 0 1 EKAF COC(=O)c1ccc(/C=C(C)\C=C\[C@]23C[C@@]2(C)CCCC3(C)C)cc1 28235726 IBEMBIRFSWLHPM-MWMJLMEQSA-N 338.491 6.039 0 1 EKAF O=C(Nc1ccc(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccc1 40424876 LANNPOZEUWIROM-UHFFFAOYSA-N 343.213 5.308 0 1 EKAF FC(F)(F)c1ccc2[nH]c(Nc3ccc(Cl)c(Cl)c3)nc2c1 40872590 FYSJRCQRQZIEBE-UHFFFAOYSA-N 346.139 5.632 0 1 EKAF COc1cccc(-c2cc(-c3ccccc3-c3ccccc3)n[nH]2)c1 49088900 SNSRHMHKNPFLKM-UHFFFAOYSA-N 326.399 5.419 0 1 EKAF C(=C1c2ccccc2Sc2ccccc21)[C@@H]1CCCN2CCCC[C@H]12 71281097 DMUVJIIWYVZLFU-LAUBAEHRSA-N 347.527 5.847 0 1 EKAF Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)[C@H]1CC[C@@H]3C1 72102217 XHVZNHAQYIIVPB-SJORKVTESA-N 329.487 6.508 0 1 EKAF COc1ccccc1C(=O)C[C@H](Sc1ccccc1)c1ccco1 103168690 UDIWPNPMNJYGDH-FQEVSTJZSA-N 338.428 5.395 0 1 EKAF Clc1ccc(Nc2nc(-c3cccc4ccccc34)cs2)cc1 103276463 GKYOKSSHIACFOX-UHFFFAOYSA-N 336.847 6.360 0 1 EKAF OC1=C2C(=Nc3[nH]nc(-c4ccccc4)c3[C@H]2c2cccs2)CCC1 103564017 PLSTYWVXTHOIEA-KRWDZBQOSA-N 347.443 5.352 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 238747320 GFQMRZFTUAYSTG-VTJFTLGMSA-N 330.512 5.519 0 1 EKAF O=[S@@](c1ccccc1)c1cc(-c2cccnc2)cc2ccccc12 299818888 AODDDEBCJBZKFJ-DEOSSOPVSA-N 329.424 5.069 0 1 EKAF CCc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1Br 586975956 AFCUDCKXRLHLHM-UHFFFAOYSA-N 329.241 5.172 0 1 EKAF Fc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587144905 FWGOBDIARJXYHO-UHFFFAOYSA-N 348.658 5.060 0 1 EKAF Nc1ccccc1-c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587251140 ZEGDTGXMUWJNSX-UHFFFAOYSA-N 336.398 5.027 0 1 EKAF O=C1C[C@]2(CCc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587499932 OCRMAYAPOFQERQ-NRFANRHFSA-N 338.834 5.026 0 1 EKAF CC[C@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501286 BGENLRGZFBGADW-OAQYLSRUSA-N 342.385 5.114 0 1 EKAF CCC[C@@H](c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523502 JKSMWCZWUZYFLJ-AVRDEDQJSA-N 334.459 5.483 0 1 EKAF Cc1cc(Cl)cc2c(Cc3ccc(Cl)cc3)c(C(C)C)[nH]c12 587624425 LWCLTCNALQLIGN-UHFFFAOYSA-N 332.274 6.497 0 1 EKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)s1 587624948 XLUDKOPOZPLEDE-UHFFFAOYSA-N 339.794 5.668 0 1 EKAF Fc1cccc2[nH]c(C(F)(F)Br)c(-c3ccccc3)c12 587634026 TTXNADKPLZQTOL-UHFFFAOYSA-N 340.142 5.418 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N(CC)c3ccccc3C)c2c1 587641487 GIGXONIMNMKFGP-HNNXBMFYSA-N 348.490 5.965 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-n3ccnc3)c2c1 587642110 LWAZECSWAICELA-CQSZACIVSA-N 333.410 5.673 0 1 EKAF CC(C)(C)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959250 ONPRVVKRAWLIGY-UHFFFAOYSA-N 340.470 6.118 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 587962833 KISIFKGQDMBFPS-UHFFFAOYSA-N 342.430 5.934 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CC(C)(C)c1cc(OC)ccc12 963226978 IYHMMGAFRPRWGZ-XDHUDOTRSA-N 349.518 5.277 0 1 EKAF COc1cccc([C@H](O)c2nc(-c3ccc4ccccc4c3)cs2)c1 61903059 QUMRHRXTVSZZFG-FQEVSTJZSA-N 347.439 5.054 0 3 EKAF Cc1ccc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c1 72137581 RASDOUNUOPFFQD-UHFFFAOYSA-N 338.882 5.935 0 3 EKAF COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1 28522874 AHVUZSGPRJLFTI-UHFFFAOYSA-N 339.826 5.045 0 1 EKAF CCC12C[C@H]3CC(NCc4ccccc4)(C[C@@H](C1)c1ccccc13)O2 45336774 GFSPDHKTADFBNS-MGAZVUHYSA-N 333.475 5.107 0 1 EKAF O=C(CC[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1)N1CCCCC1 64516508 IGWDATJSMRPGKW-XUZZJYLKSA-N 347.502 5.174 0 1 EKAF Cc1cccc(S[C@H](CC(=O)c2ccccc2)c2ccc(O)cc2)c1 72112055 OSTKBTWQBWXQMM-JOCHJYFZSA-N 348.467 5.807 0 1 EKAF Cc1ccccc1-c1ccccc1COc1ccc(CCC(=O)O)cc1 84687824 QJDQMJCZLVXQRF-UHFFFAOYSA-N 346.426 5.258 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO 100352639 LGEQQWMQCRIYKG-AVHBIOJASA-N 347.543 5.241 0 1 EKAF Cc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101050173 WXNNVWNRFVWROJ-UHFFFAOYSA-N 342.446 5.772 0 1 EKAF CSc1cccc(N=c2[nH]c(-c3cccc(Cl)c3)cs2)c1 473083617 CAKLKIOECYYOOA-UHFFFAOYSA-N 332.881 5.351 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 587068047 WUBJRMODZXEUDM-CYBMUJFWSA-N 342.870 5.962 0 1 EKAF Cc1cc(C)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 587068510 BZRWVZNNEDSYKS-CYBMUJFWSA-N 326.827 5.210 0 1 EKAF C[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098353 QPYGFNJVEORHHK-QMMMGPOBSA-N 342.723 5.526 0 1 EKAF CCCCc1c(CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099728 UHOMJRMFMDNEOB-UHFFFAOYSA-N 329.443 5.660 0 1 EKAF O=C1C[C@]2(CCCCC23CCCCC3)Oc2c1ccc1c2CCCC1 587530011 SXDKFLKNNHMNNT-QHCPKHFHSA-N 338.491 5.794 0 1 EKAF Cc1ccc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587565387 FQKXVLNQSSXZPM-UHFFFAOYSA-N 340.732 5.123 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(Cl)c3)c2c1 587642116 OTJOHACBYVDJIQ-LBPRGKRZSA-N 340.854 5.896 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)[C@H](C)C(=O)c1ccccc1 963225612 FNNHEZKPYWFZSJ-PMAPCBKXSA-N 335.491 5.077 0 1 EKAF COc1ccc(CN2c3ccccc3Sc3cccnc32)cc1F 1772631044 HDRONPKVZAQWCB-UHFFFAOYSA-N 338.407 5.032 0 1 EKAF CC(=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO 2356696913 ZQCPSDWUSDOQTE-JOCHJYFZSA-N 344.495 5.230 0 1 EKAF Cc1ccnc2c1ccn2-c1ccc(C(C)C)cc1Br 13794679 VUZACCWXHJGWCM-UHFFFAOYSA-N 329.241 5.220 0 1 EKAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCCCC1 26650102 GBFHSQJNPGVNMH-ZRBLBEILSA-N 339.523 5.031 0 1 EKAF COc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1 40957523 WWWMWNQAHZDEPH-UHFFFAOYSA-N 339.394 5.141 0 1 EKAF CC1=CC(C)(C)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc21 45245646 UZSNRQWNTOKRKO-UHFFFAOYSA-N 347.380 5.892 0 1 EKAF CCCCn1c2cc(OCc3ccccc3)ccc2c2ccnc(C)c21 95598030 GOHNTTWPLRJVBT-UHFFFAOYSA-N 344.458 5.877 0 1 EKAF COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1 169350832 LCAOFTNPSRQAMH-UHFFFAOYSA-N 346.521 5.370 0 1 EKAF CC[C@H]1C[C@H](C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101292 RVKWVLQJFBGCMD-ZFWWWQNUSA-N 341.454 5.831 0 1 EKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587152258 KXOFRBNEUCGYLU-SFYZADRCSA-N 340.707 5.044 0 1 EKAF C[C@H]1c2ccccc2Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206470 DLPJNSNDGKDTEH-AWEZNQCLSA-N 347.417 5.502 0 1 EKAF Clc1ccc2[nH]c3c(c2c1)-c1nc2cccc4c2c(c1CC3)CC4 587209648 VJHJQGGBDVVEEM-UHFFFAOYSA-N 330.818 5.234 0 1 EKAF CC[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365367 GXNPTYZRWQLZNT-CQSZACIVSA-N 343.426 6.096 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccco3)c1)CC2=O 587480905 LNXCOIYZFRCHGR-NRFANRHFSA-N 348.398 5.311 0 1 EKAF Cn1ccnc1-c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631975 OCZNJPOKYFAYCM-UHFFFAOYSA-N 325.774 5.028 0 1 EKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587643684 WJWHKFNYIJVCGD-KRWDZBQOSA-N 348.534 7.053 0 1 EKAF Fc1ccc(F)c(-c2csc(-c3ccc(OC4CCC4)cc3)n2)c1 587922711 XKRMKPZKDYFSRV-UHFFFAOYSA-N 343.398 5.687 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772585266 PRLZUXJNNKNXSR-OEUKQSQOSA-N 347.502 5.319 0 1 EKAF CC1=C2[C@H](/C=C(\C)C(=O)NCc3ccccc3F)CC[C@@H](C)[C@H]2CC1 1772610763 VAKQHCQRJMYBJV-YAZVLAJYSA-N 341.470 5.161 0 1 EKAF Oc1ccccc1-c1cc(-c2ccncc2)nc2c1Cc1ccccc1-2 1772654303 PHBHRSIWSBXMIU-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF CCC(=O)[C@H](C)CCCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356569182 KJCICXVOGJMFPE-QRWLVFNGSA-N 349.540 5.338 0 1 EKAF CCC=C(C)[C@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 2356581614 COQVDOXGJFWFLT-PGRDOPGGSA-N 342.479 5.402 0 1 EKAF O=C(O)CCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 13448476 NNACTJJYEVVQKF-UHFFFAOYSA-N 348.446 5.252 0 1 EKAF Fc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl 13517630 QURHGLMOAFXJDP-UHFFFAOYSA-N 333.834 5.044 0 1 EKAF C=C(c1cc(Cl)ccc1O[C@H](CC)c1ccccc1)n1ccnc1 28765479 HBDSKKLCLAQAKJ-LJQANCHMSA-N 338.838 5.586 0 1 EKAF COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC1CCCC1 29253206 LAVWTINDUJDLIE-RKJOKTIHSA-N 336.516 5.596 0 1 EKAF Clc1ccc(Sc2cccc(-c3ccccn3)n2)cc1Cl 40763482 JNJVCRPXDNJVBK-UHFFFAOYSA-N 333.243 5.602 0 1 EKAF Cc1ccc(C(F)(F)C(F)(F)c2ccc(C(C)(C)N)cc2)cc1 60222870 XTKIUXWHBGKLRV-UHFFFAOYSA-N 325.349 5.073 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(Cl)cc2Cl)n1 72182288 SBNSYUQDVQZGKA-GFCCVEGCSA-N 341.282 5.707 0 1 EKAF COc1cc(/C=C/c2cc3ccccc3s2)cc(OC)c1OC 95562608 ZCDBCYWQRBDFOL-CMDGGOBGSA-N 326.417 5.098 0 1 EKAF C/C(=C/CCc1ccoc1)CC(=O)C/C(C)=C/CCc1ccoc1 101563098 UVWIBVNFUUDGIS-BBAUMNPJSA-N 326.436 5.680 0 1 EKAF Fc1ccc(-c2nccc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1 114459813 CFNSUPWRBJSHTB-UHFFFAOYSA-N 338.385 6.189 0 1 EKAF COc1cc(O)cc(/C=C2\[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]23C)c1O 137755336 LDISHKNDKIDRQP-GRCXVELPSA-N 344.495 5.752 0 1 EKAF CC1=CCC[C@@H]2[C@@]3(C)CC[C@](C)([C@@H]4COC(C)(C)O4)C[C@@H]3CC[C@@]12C 238739290 ZGIVIADXUJJMPO-MRUOYJSDSA-N 346.555 6.107 0 1 EKAF CC(=O)O[C@H]1C/C=C(\C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O)/C=C/1C 299837959 PTGSYIPWFAXRLD-FFJUBWNPSA-N 348.527 5.354 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc1 586881230 VCPURYGRGUQSSW-UHFFFAOYSA-N 347.805 5.148 0 1 EKAF Cc1c(F)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587132652 HIMCLYOMSBBCJY-UHFFFAOYSA-N 346.686 5.489 0 1 EKAF O=C1c2ccccc2-c2c(C3CCCCCC3)cnc3cccc1c23 587207917 OOMVSSHQYVBIOU-UHFFFAOYSA-N 327.427 5.884 0 1 EKAF Cc1c(C2CCCCC2)nc2cccc3c2c1-c1ccccc1C3=O 587208264 UKIOYBPVMQNKMS-UHFFFAOYSA-N 327.427 5.802 0 1 EKAF O=C(c1nc(Cl)ccc1Cl)c1coc2ccc(Cl)cc12 587278503 OYACJTCBGMXFMU-UHFFFAOYSA-N 326.566 5.019 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C3CCC3)c1)CC2=O 587476753 AVZBUHWBKPFMJN-NRFANRHFSA-N 336.431 5.319 0 1 EKAF CCOc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1F 587921724 VHFNDQHOXOCWHD-UHFFFAOYSA-N 335.350 5.293 0 1 EKAF CC(C)N(Cc1cc(F)cc(F)c1)C(=O)c1ccc2ccccc2c1 653918452 MUXHHKLDXUUOJG-UHFFFAOYSA-N 339.385 5.169 0 1 EKAF CN(C/C=C/c1ccc2ccccc2c1)Cc1cccc2cc[nH]c12 1772605204 HJNGMZWIZVASBQ-AATRIKPKSA-N 326.443 5.466 0 1 EKAF c1cncc(-c2nc(NCCC3CCCCC3)c3ccccc3n2)c1 1772630225 HDBYPZURDNCVJI-UHFFFAOYSA-N 332.451 5.074 0 1 EKAF CC(=CCCc1ccoc1)CC(=O)C[C@@H](C)CC=Cc1ccoc1 2356507152 PRWULBSJBJQBSA-KRWDZBQOSA-N 326.436 5.840 0 1 EKAF Cc1ccc2ccccc2c1[C@H](O)c1nc(-c2ccccc2Cl)c[nH]1 61928192 PHPZNAANOKCNAA-FQEVSTJZSA-N 348.833 5.273 0 3 EKAF Cc1ccc(C(=O)[C@@H]2C=C(c3ccc(C)cc3)S[C@H]3C=CC[C@@H]23)cc1 1642617 UZPMSCYFVVIUEA-HBMCJLEFSA-N 346.495 5.835 0 1 EKAF COC(=O)[C@@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)cc12 13302402 OTVSVVDNOOVYKN-SIKLNZKXSA-N 344.495 5.002 0 1 EKAF biogenic CCCCSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2 13520372 RDUGGSFEUGIIBT-UHFFFAOYSA-N 334.510 5.186 0 1 EKAF CO[C@@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27079999 OJNSFFIREDVKLU-LJQANCHMSA-N 325.383 5.138 0 1 EKAF O=C(O)Cc1ccccc1Oc1cc(Cl)cc(Cl)c1Cl 28768283 XWVAGFVJLMLRLX-UHFFFAOYSA-N 331.582 5.066 0 1 EKAF Clc1cc(Oc2ccccc2)ccc1OCCO[C@H]1CCCCO1 29330355 BWWHYXXNJUWOKN-IBGZPJMESA-N 348.826 5.054 0 1 EKAF CSc1nc(C)c(-c2ccccc2)n1Nc1cccc(Cl)c1 29330394 RFKWMBJEXALQOL-UHFFFAOYSA-N 329.856 5.109 0 1 EKAF CC/C=C\C[C@H]1O[C@@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O 34961935 XLYRHVKBJYDBOS-MFHFRRNESA-N 342.479 5.536 0 1 EKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccsc3)c2)c1 49113377 GWFRFJZJQITLHW-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF in-vivo CCCC[n+]1cccc(CCCCCCCCCCCCCO)c1 84655003 SLPWVKOHJDYKQF-UHFFFAOYSA-N 334.568 5.600 0 1 EKAF CC[C@H](O)CCCCCCCCCCCCCCCCC(=O)OC 238767598 FDEFIHKTZLYAAZ-FQEVSTJZSA-N 342.564 6.172 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)CC1 586878746 AIRKKSPUMXJPHJ-SHTZXODSSA-N 349.482 5.066 0 1 EKAF COc1cccc(-c2cc(C(C)(C)C)nc3c2oc2ccccc23)c1 587365769 OTGUBQVOPONBQQ-UHFFFAOYSA-N 331.415 5.954 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c(-c3ccccc3)c2c1 587642270 KUXUUAHSTKPALD-MRXNPFEDSA-N 340.470 6.598 0 1 EKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)cc1O 587787730 XJFDJAVPGNGXJG-UHFFFAOYSA-N 344.414 5.228 0 1 EKAF Clc1ccc(OCc2nc(-c3cccc(Cl)c3)cs2)cc1 587920684 NFIZWKLHVNMIMZ-UHFFFAOYSA-N 336.243 5.696 0 1 EKAF Cc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1C 587920704 NNEXPOFQZYDGSE-UHFFFAOYSA-N 336.460 5.278 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCC[C@H]2CCc1ccccc1 963237903 HIXSGXWTIXCYQJ-JHMXWDHMSA-N 347.546 5.971 0 1 EKAF COc1cc(C)c2c(c1)C=C[C@@](C)(CCC=C(C)CCC=C(C)C)O2 2356567256 NNFRWFGYSHMIQW-HSZRJFAPSA-N 340.507 6.641 0 1 EKAF O=C(O)C=CC[C@@H]1[C@@H]2C=CC=C[C@H]2[C@@H]1CC=CC=Cc1ccccc1 2356614611 AUNSFXNQIFBBRL-KJJMTIBFSA-N 332.443 5.281 0 1 EKAF CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@H]12 2356641683 YUAQBFTWNHXSHR-WJQMIBNZSA-N 330.468 5.094 0 1 EKAF CN1[C@H]2CC[C@@H]1CC(CCOC(c1ccccc1)c1ccccc1)C2 13470036 UJEVDHRYUSUDHU-CZAFVFSZSA-N 335.491 5.056 0 1 EKAF CCc1cccc(N(C)C(=N)N(C)c2cc(Cl)ccc2Cl)c1 13776083 ZZEZBQDOURGEEX-UHFFFAOYSA-N 336.266 5.063 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCO 13797927 RCOKDYWZGPZTNB-DOFZRALJSA-N 334.544 6.141 0 1 EKAF COc1cc2c3cc1OC/C(C)=C\CC/C(C)=C/CC[C@](C)(C=C3)O2 14710401 WLSWTLDTEJZURW-MKEIKECZSA-N 340.463 5.705 0 1 EKAF Nc1ncc(-c2ccc(F)cc2)c2ccc(-c3cccc(F)c3)cc12 45303053 RYPLSELBRAXXOD-UHFFFAOYSA-N 332.353 5.429 0 1 EKAF CCCc1ccc(O)c(-c2cc(CCC)cc(Br)c2O)c1 73297623 VNIUZICVAUHSBH-UHFFFAOYSA-N 349.268 5.432 0 1 EKAF CCCOc1ccc(-c2cc(OCCC(C)C)c3ccccc3n2)cc1 96927227 VLAPSQBDGREYOY-UHFFFAOYSA-N 349.474 6.116 0 1 EKAF CC[C@@H](CSc1cccc(Cl)c1)OC(=O)NCc1ccccc1 103188797 QVFURRGCPYQAHP-INIZCTEOSA-N 349.883 5.137 0 1 EKAF Clc1ccc(-c2nc(-c3nc4cncc(Cl)c4[nH]3)cs2)cc1 587016001 MVBNHHGLCUOPBL-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Cc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1C 587062146 CKSMIQZYOTXLHQ-UHFFFAOYSA-N 346.861 6.091 0 1 EKAF Clc1cccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587209513 QLZZZYSJUQTBFT-UHFFFAOYSA-N 341.841 6.321 0 1 EKAF CC(C)=CCC[C@H](C)C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528171 YSPUIIWFHGTNRK-FUHWJXTLSA-N 326.480 5.672 0 1 EKAF CCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602130 WKGHTTMIRLHLMZ-GHTZIAJQSA-N 340.419 5.083 0 1 EKAF Cc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627910 LYRHTGFSOFKFBN-UHFFFAOYSA-N 344.258 5.576 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C)c2c1 587639538 ZALVQPKQSDHVEO-LBPRGKRZSA-N 342.280 6.419 0 1 EKAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCCCC3)cc1 653818685 ZJEKVRPQEUMJRI-VOTSOKGWSA-N 335.491 5.109 0 1 EKAF CCCN1[C@H](c2cc(-c3ccccc3)no2)c2ccccc2C[C@H]1C 963241665 NGAKYWINFFCARM-ZHRRBRCNSA-N 332.447 5.088 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)C(=O)C[C@@H]1C(C)(C)CCC[C@@]21C 2356376407 RLSZLHWSJHPNCK-IRLDBZIGSA-N 342.479 5.406 0 1 EKAF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@]2(CC)OC(=O)C[C@H]2O1)CC 2356386553 MRLHJEHWGDONOP-RGMHLJPOSA-N 348.527 5.739 0 1 EKAF CC(C=CC[C@](C)(O)C=CCc1ccoc1)=CCCc1ccoc1 2356469956 IYMLKVYDGVNSLE-NRFANRHFSA-N 326.436 5.248 0 1 EKAF Cc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12 1909678 GGPIOTGDYGYNCP-UHFFFAOYSA-N 348.490 5.170 0 1 EKAF CCCN(CCc1cccs1)[C@H]1CCc2ccc3[nH]ccc3c2C1 13741742 OLGRDJBZDHQHOJ-KRWDZBQOSA-N 338.520 5.041 0 1 EKAF CC(C)=CCC[C@@]1(C)C=Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 15252691 TXHBNVYFCZMCPB-QFIPXVFZSA-N 340.463 5.804 0 1 EKAF biogenic,in-vitro CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc3cnccc23)cc1 26829284 YOZVSKHPPFPGGU-FMIVXFBMSA-N 330.431 5.184 0 1 EKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Oc3ccccc3)cc1OC2(C)C 28965870 DMLRNNWWEGAXRE-QZTJIDSGSA-N 336.431 5.795 0 1 EKAF CC(C)(C)N[C@@H](CCC1CCCCC1)C(=O)c1cccc(Cl)c1 45253642 VEOJUGKGLUEXTM-SFHVURJKSA-N 335.919 5.640 0 1 EKAF in-vitro C[C@@H]1CCC2=C3[C@H](C[C@H](O)C2(C)C)c2[nH]c4ccccc4c2C[C@@]31C 49111185 MIQYAOWHEHWVNN-ISJXTJTLSA-N 335.491 5.331 0 1 EKAF biogenic N#Cc1c(Cl)nc(Sc2ccccc2)c(C#N)c1-c1ccccc1 136875598 WHTGOHCGHZQMCI-UHFFFAOYSA-N 347.830 5.297 0 1 EKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3F)cc21 144725171 WMGQBWYZENCVGF-LJQANCHMSA-N 344.307 5.271 0 1 EKAF O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3S[C@@H]12 169715461 DQEHBFZYRSACTF-KZULUSFZSA-N 327.836 5.034 0 1 EKAF CC(C)[C@@H]1CC[C@]2(C)[C@@H]3C=N[C@H]1[C@@]2(CCC(=O)O)C1=CCC[C@H]1CC3 238755764 UJDROKCPMXMUHR-IUSKLVQGSA-N 343.511 5.109 0 1 EKAF Cc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123599 FBGNPFXEDVFJJJ-UITAMQMPSA-N 334.366 5.654 0 1 EKAF Fc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124708 LGXCKFCZBDXMNV-RMKNXTFCSA-N 338.329 5.484 0 1 EKAF CC(C)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccccc1 587631472 NDUGRIIZJATJEF-UHFFFAOYSA-N 330.790 5.336 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(F)(F)F)c2c1 587642499 SMSJUUHOQJSJMH-LBPRGKRZSA-N 347.380 6.376 0 1 EKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587952405 QHOHYWYMVUSSON-OGWOLHLISA-N 328.500 5.907 0 1 EKAF C/C(=C/c1nc2ccc(F)c(Br)c2[nH]1)C1CCCCC1 587967213 IPSKJXGXENOOEO-KTKRTIGZSA-N 337.236 5.448 0 1 EKAF CC/C(=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587968635 VWRFBAAZGMEZCE-DHZHZOJOSA-N 332.781 5.754 0 1 EKAF CN(C/C=C/c1ccc(Cl)cc1)Cc1ccc2c(c1)CCCCC2 653826082 JOXGFHUOSCOIKY-AATRIKPKSA-N 339.910 5.754 0 1 EKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1 2356649058 XTZOEHVCSSYKTB-JOCHJYFZSA-N 326.480 6.338 0 1 EKAF CCc1ccc(O[C@@]2(C)CCN(Cc3ccc(SC)cc3)C2)cc1 61906914 PVFRVVPUHNGBPE-NRFANRHFSA-N 341.520 5.014 0 3 EKAF CCOc1c(C(C)C)cc2ccc(C)c3c2c1O[C@@H](C=C(C)C)[C@H]3O 14690313 OTUPBCGZQLZEQS-FXAWDEMLSA-N 340.463 5.431 0 1 EKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C/C(=O)O)CCC[C@@]21C 27707240 ANYMJHVXVDISBK-RUXHVADKSA-N 332.528 6.232 0 1 EKAF CCC(CC)=C(c1cc(Cl)ccc1OCCC(C)C)n1cncn1 28766464 OICFIAHUERVQCT-UHFFFAOYSA-N 347.890 5.436 0 1 EKAF COc1cc2c(c(OC)c1)[C@@H](C)N(c1cccc3ccccc13)[C@@H](C)C2 40934190 HWSHIXIKQKOUBE-JKSUJKDBSA-N 347.458 5.369 0 1 EKAF c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccncc4)cc3s1)CO2 49109589 ANARSAAFHJUWIH-QGZVFWFLSA-N 344.439 5.077 0 1 EKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(O[C@@H](C)CC)cc2)n1 72180549 LKRQCCIJSZLURV-SJORKVTESA-N 344.499 5.577 0 1 EKAF Cc1cc2c(cc1C)N[C@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 100644447 FDVZYQKXLPWYJY-OAQYLSRUSA-N 347.462 5.570 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccno1 118924198 RBGXPUBOKUORNP-WZYQIZRJSA-N 341.495 5.082 0 1 EKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cc1 586879480 GEQAZYBZDKMHJQ-UHFFFAOYSA-N 348.352 5.378 0 1 EKAF CC(C)(C)SCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994207 PSVCUFUDIULARW-UHFFFAOYSA-N 349.455 5.184 0 1 EKAF Clc1ccc(CC2(c3nc4cc5ccccc5cc4[nH]3)CC2)cc1 587073457 JEUDKZASRMSQAC-UHFFFAOYSA-N 332.834 5.644 0 1 EKAF C[C@@]1(CCc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505833 QFASUQUAMLCAJK-JOCHJYFZSA-N 338.422 5.061 0 1 EKAF C[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524526 OEKNPULKZLMGHI-DEOSSOPVSA-N 342.438 5.599 0 1 EKAF Cc1oc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534833 ZPCQJOBYNBLMGH-HXUWFJFHSA-N 332.399 5.327 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(OC(C)=O)c2c1 587640961 HNYZCSZELIIRKT-NSHDSACASA-N 343.373 5.552 0 1 EKAF Clc1cccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)c1 587920853 OUQBEAWAXDLKNP-UHFFFAOYSA-N 341.863 6.062 0 1 EKAF CC(C)(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1 653709711 PQIOTWOTEJVXGA-UHFFFAOYSA-N 341.451 5.279 0 1 EKAF COc1ccc(-c2ncccc2-c2nc3ccccc3s2)cc1OC 1857589732 KQGQWHNJUAHRKJ-UHFFFAOYSA-N 348.427 5.043 0 1 EKAF O=Cc1ccc([C@H](C[N@]2CC23CCCCC3)C2CCCCC2)cc1 2356777165 OELMYHZWMSUJPW-FYYLOGMGSA-N 325.496 5.182 0 1 EKAF O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2[C@H]2CCCCN12 72122030 FGNCSVAQPOYSKF-MRXNPFEDSA-N 331.337 5.053 0 3 EKAF COc1ccccc1Cc1c(C(C)(C)C)nc2c3ccccc3ccn12 72138434 QVTGBMWZDSMLEZ-UHFFFAOYSA-N 344.458 5.384 0 3 EKAF Cc1cccc(-c2nc(NCc3ccc(F)cc3)c3ccccc3n2)c1 109510 ILYOTUBMJCIBDB-UHFFFAOYSA-N 343.405 5.356 0 1 EKAF COc1cc(/C=C\c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 13456756 JXEYNIDSBCCZBO-FPLPWBNLSA-N 326.436 5.180 0 1 EKAF COc1cccc2c1CCC[C@@H]2CCCNCCCc1ccccc1 13745367 XMJMSAYPJNVDJI-HXUWFJFHSA-N 337.507 5.118 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(C)C)C[C@H]21 27629581 CIVZHHBSJMGYNO-RBUKOAKNSA-N 342.523 6.372 0 1 EKAF COc1ccc(Cl)cc1-c1cc(Nc2ccc(C)cc2)cc(N)n1 28523455 QSMVFZGULYFTSF-UHFFFAOYSA-N 339.826 5.045 0 1 EKAF COc1ccc(-c2ccc(-c3ccc(NCCF)cc3)s2)cc1 28570653 AXPCASKKVQNPKC-UHFFFAOYSA-N 327.424 5.472 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H]1CC(CC(=O)OC)=NO1 100837712 ZGSIAFXGTKZNHI-XURPJFDASA-N 345.483 5.280 0 1 EKAF CCn1cc/c(=N\c2ccc(CCc3ccccc3)cc2)c(Cl)c1 101792917 XXBHGENUVRIUFH-XTQSDGFTSA-N 336.866 5.179 0 1 EKAF O=C(c1c[nH]c2ccccc12)[C@@H](Nc1cccc(F)c1)c1ccccc1 218297931 KAFGIXULMIHUCU-NRFANRHFSA-N 344.389 5.343 0 1 EKAF Clc1ccccc1OCc1ccc(-c2nc3ccccc3[nH]2)cc1 587063161 GBHDMSBACPYQAV-UHFFFAOYSA-N 334.806 5.462 0 1 EKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)cncc2[nH]1 587066010 DKRBAZBFCDOSDR-UHFFFAOYSA-N 343.217 5.031 0 1 EKAF Fc1cc(Cc2nc3ccc(Cl)nc3[nH]2)ccc1-c1ccccc1 587145986 YTLKRFSBAIACMA-UHFFFAOYSA-N 337.785 5.008 0 1 EKAF O=C(c1ccc(F)cc1C(F)(F)F)c1coc2ccc(Cl)cc12 587279104 VZEDRBSKMSRICE-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF COc1cccc(-c2cc(CC(C)(C)C)nc3c2oc2ccccc23)c1 587366527 UYUFTEXVQCSWHM-UHFFFAOYSA-N 345.442 6.245 0 1 EKAF CC1=C(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(C)(C)CCC1 587404828 ZVTGHMPCRDSJOY-QFIPXVFZSA-N 341.495 5.608 0 1 EKAF Cc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C 587920347 FYWHCSNKOSNDJL-UHFFFAOYSA-N 333.378 6.113 0 1 EKAF Cc1c(Br)cc2nc(CC3CCC(C)(C)CC3)[nH]c2c1C 587963619 PJJQKJOTOIJLDD-UHFFFAOYSA-N 349.316 5.701 0 1 EKAF Clc1ccc(Cn2cc(CNc3cccnc3)c3ccccc32)cc1 1772655051 AURJYRGISZPZOU-UHFFFAOYSA-N 347.849 5.350 0 1 EKAF CC(C)=CCCC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12 2356473934 VLZSECOGKOKMBC-UHFFFAOYSA-N 338.403 5.480 0 1 EKAF CCC[C@@H](/C=C/C(=O)OC(C)(C)C)Sc1ccc(C(C)(C)C)cc1 203472913 FUVAPAAQKIVTEX-ZWKQNVPVSA-N 348.552 6.143 0 3 EKAF C[C@]12C=C(/C=C/c3ccccc3)[C@](C)(C1)[C@@H](c1ccccc1)CC2=O 13783099 LGLMIMABSGWABG-ACMMULLHSA-N 328.455 5.799 0 1 EKAF COc1cc2cc(-c3ccccc3)c(-c3ccccc3)nc2cc1OC 14944892 MRAWBMVCIHFKSI-UHFFFAOYSA-N 341.410 5.586 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]cn1 26982401 HCHICBFLKPOSSV-SOJYOXCPSA-N 338.495 5.025 0 1 EKAF Cc1c(C)c2ccc(O[C@@H](C)c3ccc(C(C)C)cc3)cc2oc1=O 28220995 YLMNENUKJABXHX-INIZCTEOSA-N 336.431 5.673 0 1 EKAF Clc1ccc([C@@H]2C[C@@H](N3CCCC3)c3ccccc32)cc1Cl 29489068 UIVROQLNUFGFCX-QFBILLFUSA-N 332.274 5.666 0 1 EKAF Cc1cccc(N(C)CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107457 AGWVKMGAXJWYJH-HSZRJFAPSA-N 337.507 5.348 0 1 EKAF CCCCc1ccc(-c2nc(CNCCc3ccccc3)co2)cc1 72142265 DLZICBJHYOTFLV-UHFFFAOYSA-N 334.463 5.017 0 1 EKAF CCCCOCCCNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1 82160730 FWBCHDJEYYZYPG-UHFFFAOYSA-N 341.499 5.060 0 1 EKAF C=C(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCC3 113125625 ZMBUJLSKEBGJJZ-UHFFFAOYSA-N 349.455 5.167 0 1 EKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2/C=C/c1ccccc1 169341193 VQILFFVIWGYQHG-IRQNEMQLSA-N 337.894 5.620 0 1 EKAF CCCCC/C=C\CCCCCCCCCCC/C=C\CC(=O)O 169622229 QEALGBVVNMNXEC-JFECHNKFSA-N 336.560 7.445 0 1 EKAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586885727 ABJBBRKYYJCIJW-AMIZOPFISA-N 347.178 5.248 0 1 EKAF Fc1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1Cl 587084568 CODONTUAWALBLT-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF Cc1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162304 VDEBNNCAMWJAKA-QWHCGFSZSA-N 345.215 5.044 0 1 EKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)cs3)nc3cccc1c23 587208339 QJMYSOBAMDNYIK-UHFFFAOYSA-N 347.826 5.828 0 1 EKAF C[C@@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(cccc3n1)CC2 587209817 YGPVVAKLIDRWSZ-LLVKDONJSA-N 344.241 5.780 0 1 EKAF Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629413 OXFLMCVFPVMEFD-UHFFFAOYSA-N 325.717 5.537 0 1 EKAF CCCCC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815101 YIRULLVDMLPHHV-YVEFUNNKSA-N 342.296 5.308 0 1 EKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 587922008 GLGVOUSYBKTXAO-UHFFFAOYSA-N 343.492 6.507 0 1 EKAF CSc1ccc(-c2csc([C@@H](C)Cn3cc(Cl)cn3)n2)cc1 587925806 UVGYTDFZYQHEKQ-NSHDSACASA-N 349.912 5.186 0 1 EKAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]45C[C@H]4CC[C@]35C)C1=CC=C2c1cccnc1 1772608154 OUHVEACSDYIANY-LUVHMPGZSA-N 345.486 5.217 0 1 EKAF CN(Cc1ccccc1)c1nc(-c2ccccc2F)nc2ccccc12 2452464 QBJMBSDRBFIUMB-UHFFFAOYSA-N 343.405 5.072 0 1 EKAF CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 27656707 GAJVYAHRFQQYKV-KRWDZBQOSA-N 326.436 5.219 0 1 EKAF Cc1cscc1-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12 40423539 QNYZHMLWZSRWRH-ZDUSSCGKSA-N 335.432 5.433 0 1 EKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cccn1 45358154 LFHYSENBDFRQJR-HOTGVXAUSA-N 338.904 5.345 0 1 EKAF Cc1cc(NC(=O)Nc2cccc(C(C)(C)C)c2)c2ccccc2n1 66104261 GXJQRNQJVKJUPK-UHFFFAOYSA-N 333.435 5.485 0 1 EKAF O=C(Nc1cc(F)cc(F)c1)Nc1cccc(SC(F)(F)F)c1 95588957 OIYRJFWWKFPITI-UHFFFAOYSA-N 348.296 5.221 0 1 EKAF COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1 169352349 LLZBQBVJQFUAEA-UHFFFAOYSA-N 340.492 5.308 0 1 EKAF CC(C)=CCC[C@@]1(C)CCc2c(c(C)cc3c2[nH]c2ccccc23)O1 238774000 CSFJTYGHPYESEQ-QHCPKHFHSA-N 333.475 6.460 0 1 EKAF Cc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Cl 586896877 TVUNTESRZPEVDM-UHFFFAOYSA-N 342.870 6.144 0 1 EKAF Fc1cc(F)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587055784 XNSCKWUQLYLIIP-SNAWJCMRSA-N 325.145 5.318 0 1 EKAF Cc1c(Cl)ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085543 YZIGLOLFHMBTPL-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CCCCc1nc2c(C)ccc3c2c(c1CCC)-c1ccccc1C3=O 587099696 SLPPKVDLCPDKLV-UHFFFAOYSA-N 343.470 6.050 0 1 EKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)c(F)cc4[nH]3)c(Cl)c2c1 587175030 ONPNCZPHFUFPSU-UHFFFAOYSA-N 338.144 5.296 0 1 EKAF Cc1ccc(Cc2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587206164 KLSUEEHKPMNNCW-UHFFFAOYSA-N 349.433 5.654 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](CC1=C(C)CCCC1(C)C)CC2=O 587479544 INTNKTIZOWCGHA-HNNXBMFYSA-N 342.479 5.595 0 1 EKAF CC(C)(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521427 CAHXFICZWRYNHV-OAQYLSRUSA-N 334.459 5.569 0 1 EKAF O=C1C[C@](c2ccccc2)(C2CCC2)Oc2c1ccc1c2CCCC1 587524830 NMPSJORMJOXFAF-QHCPKHFHSA-N 332.443 5.226 0 1 EKAF CCCCC(CCCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526028 UUDVNMFCHFPODS-HSZRJFAPSA-N 342.523 6.286 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)F)c2c1 587639902 AHQQAVNTDHHFMM-SNVBAGLBSA-N 347.430 6.166 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cc(Cl)cc(Cl)c3)c2c1 587641209 LHEZPLVIHZCRLV-LLVKDONJSA-N 332.274 6.964 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(C)cc3)c2c1 587641436 FYEIFEVACYJUNY-HNNXBMFYSA-N 334.463 5.228 0 1 EKAF Cc1cc(Cl)cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c12 587951568 PGCYQVFARUTOKP-ZDUSSCGKSA-N 336.822 5.818 0 1 EKAF CC1(C)CCC(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 587960777 BPIMFCQJNZEACY-UHFFFAOYSA-N 326.362 5.220 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(C(F)(F)F)c(C)c1 963230216 PCEDSTLCFZDRQZ-FOIQADDNSA-N 347.424 5.760 0 1 EKAF Cc1ccc(C(C)C)cc1OC(=O)Nc1ccc(Cl)c(Cl)c1 1772642573 HDOJLGGPQNDPOP-UHFFFAOYSA-N 338.234 6.036 0 1 EKAF c1ccc(CC2CCN(C[C@H]3CSC4(CCCC4)S3)CC2)cc1 1911578917 AIHHKXSJJYAYND-IBGZPJMESA-N 347.593 5.060 0 1 EKAF CC1(C)CCC(C)(C)c2cc3[nH]c(-c4ccc(C(=O)O)cc4)nc3cc21 13651733 FWTYUXRUIWOXIW-UHFFFAOYSA-N 348.446 5.277 0 1 EKAF COc1ccc2c(c1)CCC[C@@H]2CCCCN1CCC(C)(C)CC1 13678049 PKXQOVGMMYOSBL-SFHVURJKSA-N 329.528 5.407 0 1 EKAF C[C@H]1C[C@@H](C)N2[C@@H](CC3=C4CCCN(C)[C@@H]4C[C@H](C)C3)CCC[C@@H]2C1 34649535 ALCQTKOVSOCZKP-FVBKBYRDSA-N 344.587 5.239 0 1 EKAF Fc1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1 45336714 UBHBMONOIRNUJF-IBGZPJMESA-N 333.341 5.023 0 1 EKAF CCCC(=O)Nc1n[nH]c2cc(-c3cc(Cl)cc(Cl)c3)ccc12 49035054 UOMYOKGRZMGKPR-UHFFFAOYSA-N 348.233 5.275 0 1 EKAF CN(Cc1coc(-c2ccccc2F)n1)Cc1cccc2ccccc12 72101897 DHZRRCFAWMEOGD-UHFFFAOYSA-N 346.405 5.266 0 1 EKAF C[C@@H]1C[C@H](Nc2cncc(Oc3cccc(F)c3)n2)CC(C)(C)C1 82068836 JNBHMNYGLYZNGW-HIFRSBDPSA-N 329.419 5.035 0 1 EKAF Clc1cccc([C@@H]2C3=C(CCC3)Nc3cc4c(cc32)OCO4)c1 101708090 GWBPIVXNDUUQGD-LJQANCHMSA-N 325.795 5.064 0 1 EKAF O=[N+]([O-])C[C@H](c1ccccc1)c1cn(-c2ccccc2)c2ccccc12 207860418 LGCHLDAWVWNNFG-HXUWFJFHSA-N 342.398 5.039 0 1 EKAF COc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016308 UYJDNGBIFBKGON-UHFFFAOYSA-N 341.823 5.015 0 1 EKAF FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587093470 NBSAYEZUDSPGLR-STQMWFEESA-N 334.366 5.380 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4cccnc4[nH]3)c(Cl)c2)cc1F 587146908 ANLBAMUAEWUOBA-UHFFFAOYSA-N 337.785 5.393 0 1 EKAF CC(C)C[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208673 XOSPRQSQLHAHQI-HNNXBMFYSA-N 341.454 5.912 0 1 EKAF Fc1cc(Br)cc(F)c1-c1cc2c3c(cccc3n1)CC2 587210321 OIAZOYDGGQODRR-UHFFFAOYSA-N 346.174 5.041 0 1 EKAF CCc1oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2c1C(C)=O 587215653 LDKXGNSMYVRFJV-UHFFFAOYSA-N 341.410 5.512 0 1 EKAF CCC(C)(C)c1ccc(OCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 587565087 UZYLJPZDBAUZDN-UHFFFAOYSA-N 343.858 5.186 0 1 EKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1cccc(Cl)c1 587629150 WIRXWMYEPHHFBB-UHFFFAOYSA-N 337.181 5.175 0 1 EKAF Fc1ccc2c(-c3ccccc3F)c(Cc3ccccc3F)[nH]c2c1 587634514 IKEWAFMTEFWQGY-UHFFFAOYSA-N 337.344 5.843 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccn3)c(-c3ccccc3)c2c1 587644558 ZTQLHJNAYVYCAJ-INIZCTEOSA-N 326.443 6.410 0 1 EKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(F)cc3[nH]2)c1 587779536 ABJFEZBBWXWIGW-UHFFFAOYSA-N 332.378 5.435 0 1 EKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2[nH]c3ccccc3c2Cl)N1 962943349 GQHQPBPFIISCLQ-GTJPDFRWSA-N 349.865 5.316 0 1 EKAF CCn1ccc2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)ccc21 963114012 VVADQSLSTSGNSN-IBGZPJMESA-N 345.273 5.203 0 1 EKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1cccc(Cl)c1 205706607 YXNODVGGKZANAD-KGYZHSKHSA-N 335.875 6.028 0 3 EKAF Cc1ccc2cc3cc(C(=O)Nc4ccccc4C)sc3nc2c1 428336 CEIBKNSXNUBXIW-UHFFFAOYSA-N 332.428 5.319 0 1 EKAF Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 3612417 BTHWMJUPMGCKFS-UHFFFAOYSA-N 333.431 5.591 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(N)=O 8689955 CNFSECYQPQMLEG-DOFZRALJSA-N 331.544 6.398 0 1 EKAF CCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517678 ZROMDYPWEKNXLI-UHFFFAOYSA-N 337.507 5.594 0 1 EKAF C[C@@H]1C[C@@H]2c3cccc4[nH]c(Sc5ccccc5)c(c34)C[C@H]2N(C)C1 13826376 FVVUBLWTATZKEN-WIBUTAKZSA-N 348.515 5.299 0 1 EKAF CCCCCCc1ccc(C(=O)CCN(CCCC)CCCC)cc1 14968943 UMFRWWULZNWTFF-UHFFFAOYSA-N 345.571 6.284 0 1 EKAF in-vivo CCCC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 45385937 WNVNGNGYHALVBP-WFHKDSDPSA-N 342.523 6.063 0 1 EKAF CC(C)(C)c1ccc(-n2c(=S)oc3ccc(F)cc3c2=S)cc1 64549821 XDPWEIJBMUJRLG-UHFFFAOYSA-N 345.464 6.119 0 1 EKAF Cc1nnc(Cc2cccc(Oc3cc(C)c(Cl)c(C)c3)c2)s1 95581486 PCWTUQSNTJNTEY-UHFFFAOYSA-N 344.867 5.500 0 1 EKAF C[C@@]12CC3C[C@@]1(C)CC3(N(Cc1ccccc1)Cc1ccccc1)C2 101560118 VINDLEJMTSPTRF-XZZNXKJUSA-N 331.503 5.658 0 1 EKAF CC/C=C\C=C/C=C\C=C\CCCCCCCOC(=O)CC(C)C 238766809 MDNVKZNPVLCVQP-JDMHARMQSA-N 332.528 6.551 0 1 EKAF COc1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cc1Cl 586879067 OMHOXAAARWJWLD-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Fc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587051171 PBRQDRKUXZVANT-UHFFFAOYSA-N 347.176 5.936 0 1 EKAF Cc1nc2c(C)ccc3c2c(c1CCC(C)C)-c1ccccc1C3=O 587099140 BJKFYHLPFNOGRP-UHFFFAOYSA-N 329.443 5.652 0 1 EKAF CC(C)(C)c1cccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587110265 YAIXZGANKARYFS-UHFFFAOYSA-N 336.332 5.685 0 1 EKAF Fc1cccc(C2(F)CC(c3nc4ccc5c(c4[nH]3)CCCC5)C2)c1 587131530 MHQLZJCVBXWRNN-UHFFFAOYSA-N 338.401 5.323 0 1 EKAF Cc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1 587146845 YGUMSECJQQXFPS-UHFFFAOYSA-N 332.378 5.256 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)CCC3)c1 587365963 JURABKDYWACJAU-AWEZNQCLSA-N 343.426 6.096 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C3CCCCC3)s1)O2 587408431 BSORYAXBDDYYIX-QGZVFWFLSA-N 341.476 5.393 0 1 EKAF O=C1C[C@H](c2cc(-c3ccccc3)co2)Oc2c1ccc1c2CCCC1 587532687 MXOIHHPTGZRUNY-JOCHJYFZSA-N 344.410 5.532 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N(CC)c3ccccc3C)c2c1 587641489 GIGXONIMNMKFGP-OAHLLOKOSA-N 348.490 5.965 0 1 EKAF Fc1ccc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 587922097 KHHLCUVXHLRIIJ-UHFFFAOYSA-N 339.313 5.515 0 1 EKAF COc1cccc(C2(c3nc4cc(Cl)cc(C)c4[nH]3)CCCC2)c1 587930179 DZAQRAUEEBIATO-UHFFFAOYSA-N 340.854 5.393 0 1 EKAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2[C@@H](C)CC[C@H](C)CC(C)(C)C 963728603 GZHFITXBHAXELA-TWOQFEAHSA-N 325.540 6.390 0 1 EKAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61928270 UIBVJRJHLOGFJD-OAQYLSRUSA-N 349.430 5.358 0 3 EKAF CCCc1nc2c3ccccc3ccn2c1Cc1ccc(OC)cc1C 72103474 DPSPXLGYKOHREV-UHFFFAOYSA-N 344.458 5.348 0 3 EKAF C(=C/c1ccccc1)\COCC1CCN(CCCc2ccccc2)CC1 3792664 XSRZDWFALCQUFX-RIYZIHGNSA-N 349.518 5.061 0 1 EKAF CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 13446971 FJRQDVCLUUZSIG-QZTJIDSGSA-N 328.496 6.039 0 1 EKAF O=C(O)CCCCCCc1ccc(Cc2ccc3ccccc3n2)cc1 26847527 KMYFLSVOUWPLPL-UHFFFAOYSA-N 347.458 5.403 0 1 EKAF CC[C@H](c1ccc(Cl)c(O)c1)[C@@H](CC)c1ccc(Cl)c(O)c1 27655564 NTRNFSBEVFNROP-OKILXGFUSA-N 339.262 6.092 0 1 EKAF Fc1ccc(-c2ccc(CN3CCC(c4ccccc4)CC3)[nH]2)cc1 29567532 GPEDENYUQYAAIH-UHFFFAOYSA-N 334.438 5.200 0 1 EKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(NCc3ccccc3)n2c1 35157080 IXKKCSZNKYTLAL-UHFFFAOYSA-N 347.849 5.575 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@H](C(=O)O)c1cc2cc(O)ccc2o1 49088173 XZFXVBWSDABZIS-KWJIGKFDSA-N 342.435 5.780 0 1 EKAF Cc1c(-c2ccc(-c3ccc(F)cc3F)cc2)[nH]c2ccccc2c1=O 84669166 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Cc1ccc(C[C@]2(OCCN(C)C)CC[C@@H](C(C)(C)C)CC2)cc1 102942697 CFWGNVBFLHVDSZ-AQYVVDRMSA-N 331.544 5.091 0 1 EKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@]1(C)C1CCOCC1 103272614 GZLIFHXSXJPDEH-RBZQAINGSA-N 340.551 6.247 0 1 EKAF COc1cccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)c1 144925577 KEWUSENQYDCJQG-UHFFFAOYSA-N 342.398 5.024 0 1 EKAF Cc1cc([C@H](CCNC(C)C)c2ccccc2)c(O)cc1C(C)(C)C 198570690 GNMQTEGBFQRPDE-LJQANCHMSA-N 339.523 5.518 0 1 EKAF in-vivo CC(C)CCC[C@@]1(C)CCc2cc(O)cc(Br)c2O1 208057011 MILZRWBBSBNLAT-INIZCTEOSA-N 327.262 5.065 0 1 EKAF CC(C)CNc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1 299833903 AQIGJCZBZXSONM-UHFFFAOYSA-N 342.386 5.087 0 1 EKAF CC(C)c1cc(-c2nc3ccc4ncccc4c3[nH]2)c(O)c(C(C)C)c1 586897076 WUPJLVHZHQZHPD-UHFFFAOYSA-N 345.446 5.731 0 1 EKAF Cc1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991232 RTQVHVWMDFCMPM-UHFFFAOYSA-N 349.389 5.031 0 1 EKAF FC(F)(F)Oc1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Cl 587026746 XENOQGOFVOFCKS-UPHRSURJSA-N 344.745 5.347 0 1 EKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 587061182 BZYYJJRYPFOAOM-KRWDZBQOSA-N 340.854 5.625 0 1 EKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc3ncccc3c2[nH]1 587171314 LXFYWQVAVKKLBU-LBPRGKRZSA-N 337.423 5.146 0 1 EKAF CC[C@H](C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 587213451 SLSBWTBSQVHZDK-HNNXBMFYSA-N 344.458 5.028 0 1 EKAF CCCCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531813 MJSKQNWZCCCLSS-LJQANCHMSA-N 340.488 5.676 0 1 EKAF Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630087 RAPPABNYUBAHOH-UHFFFAOYSA-N 327.708 5.955 0 1 EKAF Cc1[nH]c2cccc(F)c2c1-c1ccc(Cl)cc1Br 587632327 JLKSNUKVKYIXRG-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF COc1ccc(OC)c(-c2nc(-c3ccc(C)c(C)c3)cs2)c1 587920512 IUNDFXREZRHTSO-UHFFFAOYSA-N 325.433 5.111 0 1 EKAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCC3(CCCCC3)CC2)N1 962955659 XUSKGSXGCJCMHC-KRWDZBQOSA-N 336.523 5.812 0 1 EKAF Clc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cs1 962999311 QMPFTYGUODYSSP-KRWDZBQOSA-N 346.908 5.006 0 1 EKAF CCCCCC=CCCCCCCc1cc(=O)c2c(n1C)CC=CC2 2356524493 GOQAIYGQXSZVJZ-UHFFFAOYSA-N 341.539 5.670 0 1 EKAF COc1cccc(-c2cc3c(Nc4cccc(C)c4)nccc3n2C)c1 74386877 IBOFMATZQQASON-UHFFFAOYSA-N 343.430 5.301 0 3 EKAF S=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1 18025 RFLBIXTXWXYDTK-UHFFFAOYSA-N 349.286 5.169 0 1 EKAF CCC(CC)Oc1nc(C)cc(Oc2c(C)cc(C)cc2C)c1C 29135329 OZLTVVTUZACOCY-UHFFFAOYSA-N 327.468 5.983 0 1 EKAF O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ccc2[nH]cnc2c1 40556597 DPIXQXJIXLZRAC-UHFFFAOYSA-N 347.805 5.136 0 1 EKAF CCn1cc/c(=N\c2cccc(CCc3ccccc3)c2)c(Cl)c1 43071384 ISYVCYAMJLODDR-XTQSDGFTSA-N 336.866 5.179 0 1 EKAF c1ccc([C@@H]2C[C@@H](n3ccnc3)c3ccc4ccccc4c3O2)cc1 71295433 WEFIEUNJRSOGIZ-RTWAWAEBSA-N 326.399 5.150 0 1 EKAF Cc1ccc(NCCC2(c3ccccc3)CCOCC2)cc1Cl 72107262 OKZPPYKUQUMKSL-UHFFFAOYSA-N 329.871 5.199 0 1 EKAF CC(=C(c1ccccc1)c1ccccc1)c1ccc([S@](C)(=N)=O)cc1 95554914 BWPGPZMWVQLQMJ-RUZDIDTESA-N 347.483 5.701 0 1 EKAF CCC12C[C@@H]3CC(NCc4ccccc4)(C[C@@H](C1)c1ccccc13)O2 101927190 GFSPDHKTADFBNS-WSUXWNOTSA-N 333.475 5.107 0 1 EKAF c1csc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2CC3)c1 299822320 NILYFXZXEKINHV-UHFFFAOYSA-N 329.424 5.836 0 1 EKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)o1 586903304 NWNATXMUGCXMIF-UHFFFAOYSA-N 343.213 6.105 0 1 EKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4CC[C@@H]3C4)nc3ccc(O)c1c23 586990357 BSEWBWGEUWISEI-ZENOOKHLSA-N 341.410 5.055 0 1 EKAF CCC[C@@H](C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991354 JNIWCQMNFOVOCU-GFCCVEGCSA-N 331.415 5.364 0 1 EKAF Cc1ccc2c3c(c([C@H](C)CC(C)(C)C)cnc13)-c1ccccc1C2=O 587099865 WAVCIEXDRITPDX-OAHLLOKOSA-N 343.470 6.294 0 1 EKAF FC(F)(F)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587113137 OKYILEDIVVANEC-UHFFFAOYSA-N 331.124 5.556 0 1 EKAF Cc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1 587146530 PEUQQTAOCDUKJN-UHFFFAOYSA-N 334.419 5.829 0 1 EKAF Fc1ccc(-c2ccsc2-c2nc3cc(F)c(F)cc3[nH]2)cc1 587164466 RLMQHBHNRZLKOW-UHFFFAOYSA-N 330.334 5.376 0 1 EKAF COc1cccc(-c2cc([C@@H](C)C(C)=O)nc3c2oc2ccccc23)c1 587365116 HYGBJXPKBLXUGM-ZDUSSCGKSA-N 345.398 5.349 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccsc1)CC2=O 587494701 LRYPYBJKBUTXIE-LJQANCHMSA-N 330.449 5.067 0 1 EKAF O=C1C[C@@H](c2c(F)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587507599 RKNPNAYQPGDFRN-INIZCTEOSA-N 348.776 5.204 0 1 EKAF O=C1C[C@]2(CCCC[C@H]2c2ccccn2)Oc2c1ccc1c2CCCC1 587513691 DZVCRULCQQGSLZ-CVDCTZTESA-N 347.458 5.022 0 1 EKAF O=C1C[C@H](c2ccccc2-c2ccco2)Oc2c1ccc1c2CCCC1 587529401 BJLXKWPAULMZKH-JOCHJYFZSA-N 344.410 5.532 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cn3)c2c1 587640658 HWEVSFGIRSRXJT-NSHDSACASA-N 341.842 5.291 0 1 EKAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2c1cc(O)c1ccccc12 1857654762 GFQKQJHJXXDXJP-UHFFFAOYSA-N 349.361 5.010 0 1 EKAF CCCCCC=CCCCCCCCC(=O)c1c(O)cccc1O 2356609148 PIYOLRGHWLSGDE-UHFFFAOYSA-N 332.484 6.148 0 1 EKAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C[C@@H]3CC[C@@]21C 2356649677 UYVUOOUMEBCKNW-AEMIOXJASA-N 330.512 5.194 0 1 EKAF CCCCCC[C@@H](O)CCCCCCCCCCCCCC(=O)O 14454532 QOHOPIAGXYYWBQ-HXUWFJFHSA-N 342.564 6.474 0 1 EKAF biogenic COc1ccc(O)c(CC2=C(C)CCC[C@@]2(C)/C=C/C=C(C)C)c1 14687290 NCAUXCIBEDUXEZ-UCUTXXDUSA-N 326.480 5.972 0 1 EKAF O=C(O)CCCCCCCc1ccc(CCCc2ccccc2)cc1 26936743 MHIOVLDVCKIPCY-UHFFFAOYSA-N 338.491 5.830 0 1 EKAF C[C@]1(CC(F)F)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640416 UOSXMUVQMSJAOK-LRLHPVAZSA-N 340.454 5.675 0 1 EKAF C[C@@H](O)CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O 219959730 XZJRFDXTOSIZMX-RTBURBONSA-N 344.536 5.054 0 1 EKAF in-vitro CCCCC[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCCC=C12 253710720 XMTVISLAECGBLA-BUERGGKPSA-N 342.567 6.715 0 1 EKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCCO4)cc3)cc12 584618995 RFJJQFMBYPRFFI-GOSISDBHSA-N 341.794 5.038 0 1 EKAF COc1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 586880445 NAJQLBNUMOVFDJ-UHFFFAOYSA-N 342.398 5.108 0 1 EKAF CC(C)Cc1c(C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991467 NDWQNSUMRJSHMB-UHFFFAOYSA-N 343.426 5.228 0 1 EKAF C[C@@H]1CCc2sc(-c3nc4cc(Br)ccc4[nH]3)cc2C1 587034177 QFYGPRDVLBSYLA-SECBINFHSA-N 347.281 5.179 0 1 EKAF Fc1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1C(F)(F)F 587044057 YDOGSMOVDTWVCW-CQSZACIVSA-N 338.329 5.110 0 1 EKAF Cc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C 587134114 ICHBYDMBABWIRF-ONEGZZNKSA-N 338.279 5.046 0 1 EKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587160341 BIXXSLZUYNVHBD-OALUTQOASA-N 344.389 5.765 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H](c3ccccc3)C1)O2 587408988 SIMUBPSPUPJHMW-HTAPYJJXSA-N 335.447 5.029 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccsc1)O2 587411598 DRCAVUVLOJQUAB-IBGZPJMESA-N 335.428 5.012 0 1 EKAF CC[C@H](C)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522750 GUZLYXCXYQVMOM-WQFQCULDSA-N 326.480 5.506 0 1 EKAF C[C@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532651 MMTPMYHPWBKWHY-JOCHJYFZSA-N 332.399 5.192 0 1 EKAF Fc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956996 XSPCHKKIEULHJO-MRXNPFEDSA-N 334.369 5.216 0 1 EKAF CC(C)C[C@@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1 1772574747 RATRWXQTMWKSPA-GOSISDBHSA-N 334.488 5.346 0 1 EKAF Oc1cccc(-c2cc(-c3cccnc3)nc3c2Cc2ccccc2-3)c1 1772621925 FUFXCZZOEOQUMI-UHFFFAOYSA-N 336.394 5.087 0 1 EKAF C=C(Br)C(=CBr)CCC(Cl)=C(C)C 2356706284 AKXLQPIDMZTIOB-UHFFFAOYSA-N 328.475 5.487 0 1 EKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2CC=C(C)C)cc1 14819705 BDUQKWXSHWYDGX-JXMROGBWSA-N 338.447 5.392 0 1 EKAF Cc1cccc(Cl)c1Nc1nc2cc(Cl)ccc2n2cncc12 28458725 WYUOWQMGMIJPGN-UHFFFAOYSA-N 343.217 5.241 0 1 EKAF CCOC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccc(C)cc1 43119152 WNVORYSILGLGFF-IBGZPJMESA-N 339.460 5.091 0 1 EKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2ccccc2F)cc1 45364905 GDLJXVIFSNBWKP-GOSISDBHSA-N 345.414 5.244 0 1 EKAF in-vivo CCCCc1cc2ccccc2nc1-c1cc(-c2ccccc2)no1 103251879 GGKLAQATLNJSKA-UHFFFAOYSA-N 328.415 5.899 0 1 EKAF C=C/C(C)=C\C=C\[C@@](C)(C[C@H](C=C(C)C)OC(=O)/C(C)=C\C)OC 238768425 HMWSUTVUCYCWMI-VGALWWKASA-N 332.484 5.314 0 1 EKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1ccno1 253636835 RBGXPUBOKUORNP-QONZTIIKSA-N 341.495 5.082 0 1 EKAF O=C(O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1 299827699 HDZQMMIXBZWFIC-UHFFFAOYSA-N 343.382 5.167 0 1 EKAF CC[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586892047 STISIBHNPLIVBT-SDBXPKJASA-N 347.178 5.248 0 1 EKAF Clc1ccc(-c2nc(-c3nc4cccc(Cl)c4[nH]3)cs2)cc1 587015357 AUQGBOPBGHASHK-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Fc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587049501 MBORHHQGYIMTRZ-JGVFFNPUSA-N 339.172 5.419 0 1 EKAF O=C(c1c(Cl)cc(Cl)cc1Cl)c1coc2ccccc12 587281111 WEMCXJHJDGUJFJ-UHFFFAOYSA-N 325.578 5.624 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3C)c1 587364701 AUQRBXSVMQYWJX-ZDUSSCGKSA-N 329.399 5.706 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccs3)c1)O2 587412276 ILZVXKFGFIDZQQ-SFHVURJKSA-N 335.428 5.012 0 1 EKAF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628363 MFLFORFZYWQHKD-UHFFFAOYSA-N 328.601 6.243 0 1 EKAF Fc1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951435 ZWNOIHZYUSYYAF-YPKPFQOOSA-N 330.362 5.665 0 1 EKAF CCCCCC=CCC=CCC=CCCCCCCC=CC(=O)O 2356849761 PXQLRMOIZUXNST-UHFFFAOYSA-N 332.528 6.997 0 1 EKAF Clc1ccc(O[C@@H](c2ccccc2)C2CCNCC2)cc1Cl 13530969 VWLINDDJWYYHPU-SFHVURJKSA-N 336.262 5.113 0 1 EKAF Cc1ccc2cc(NC(=O)Nc3ccc4nc(C)ccc4c3)ccc2n1 26574927 CHWABNHLFWOHNX-UHFFFAOYSA-N 342.402 5.044 0 1 EKAF COc1ccnc(Nc2ccc(Cl)c(Sc3ccccc3)c2)n1 35010640 JDAXEXFHTCPZLH-UHFFFAOYSA-N 343.839 5.033 0 1 EKAF C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)C1CCCCC1 40434390 BQCAAQLKCYQZTH-ZRCGQRJVSA-N 343.555 5.498 0 1 EKAF CC(C)C(=O)Nc1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 71296583 BRTVCBYMEQFIOD-UHFFFAOYSA-N 348.324 5.108 0 1 EKAF CCOc1ccc(-c2cc(N[C@H](C)c3ccc(C)cc3)ncn2)cc1 82162232 WOFODNPAICPTOS-MRXNPFEDSA-N 333.435 5.024 0 1 EKAF COc1cc(Cl)cc(/C=C\c2ccc3ccccc3c2)c1C(=O)O 96903475 KQSZZXFMEVMBHP-CLFYSBASSA-N 338.790 5.370 0 1 EKAF CCCCCCc1ccc(Oc2ccccc2Br)c(O)c1 98208272 XMFJZZCTDKMLKQ-UHFFFAOYSA-N 349.268 6.070 0 1 EKAF in-vitro CC(C)Oc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026573 FWIMIXCJFSAIBC-UHFFFAOYSA-N 334.444 5.746 0 1 EKAF Cc1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063776 WQVRXZWUKYTBSZ-UHFFFAOYSA-N 349.821 5.166 0 1 EKAF Fc1ccc(-c2ccccc2-c2nc3ccc(F)c(F)c3[nH]2)cc1F 587144737 CPDPOKXTVOXOTE-UHFFFAOYSA-N 342.295 5.453 0 1 EKAF Fc1ccc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(F)c1 587151281 XYLCEULDJPVJCH-RQOWECAXSA-N 342.242 5.169 0 1 EKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)C3)c1 587365125 FBLVKIGHDKBKEU-ZDUSSCGKSA-N 329.399 5.391 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)ccc3ccccc13)CC2=O 587481384 LJXDDGZJKGCULC-OAQYLSRUSA-N 346.426 5.513 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(C(C)(C)C)CC2=O 587493838 IASLDEJSDUKABE-FQEVSTJZSA-N 344.476 5.313 0 1 EKAF O=C1C[C@@H](c2cc(F)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587507994 WZGPQTMFQRAQKI-SFHVURJKSA-N 330.786 5.064 0 1 EKAF Cc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587524501 NVXBOLZVZDBZBE-QHCPKHFHSA-N 334.459 5.371 0 1 EKAF CC(C)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587526185 RNSALAHOMNKFJV-YKSBVNFPSA-N 346.470 5.569 0 1 EKAF Fc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1 587628863 BBJQSTFRMNPGLS-UHFFFAOYSA-N 339.772 6.434 0 1 EKAF C[C@H](CC1CCCCC1)[C@H]1NCCc2cccc(-c3ccccc3)c21 962666818 LRNGBRWCAUKBAD-HOYKHHGWSA-N 333.519 6.147 0 1 EKAF C[C@@H]1CCCc2ccccc2[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963096428 DQJBFOUXKROUFS-LQNXUBFPSA-N 335.466 5.062 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CC(=O)C[C@]12C 2356470016 LABJRCCKHONGEZ-KCZVDYSFSA-N 346.511 5.254 0 1 EKAF O=C(c1ccccc1)c1cc(Cc2ccccc2)c(O)c2ccccc12 27197046 ZUFIYCWBWHBUBX-UHFFFAOYSA-N 338.406 5.367 0 1 EKAF CCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28474813 FQMPOKLBBPVUIX-UHFFFAOYSA-N 349.453 5.082 0 1 EKAF C/C(=C\CCc1ccoc1)CC/C=C(\C)CCC[C@@H](C)CC(=O)O 34215652 CMLJLKAJEBCZCF-CVUGZRRRSA-N 332.484 6.166 0 1 EKAF Cc1ccc2c(c1)S[C@@]1(c3ccccc3)C(=O)c3ccccc3C1=N2 84727275 SKWGTQNAHFFUHN-JOCHJYFZSA-N 341.435 5.313 0 1 EKAF CC(=O)C[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1 96167495 WKABSXPRYVTJFB-INIZCTEOSA-N 341.451 5.209 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)CCC 169353475 TVEVVHHVLQUIBI-AIBIWWTJSA-N 345.571 6.658 0 1 EKAF COc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1 238737588 TWGZMJGJPCIAGR-NWLVNBMCSA-N 342.523 6.671 0 1 EKAF CCC1=C(CCC(C)C)/C(=C/[C@@H](C)CCC[C@H](C)CC(=O)O)CCC1 263621218 XIXDFZCDSAMZDB-AQOSXKMFSA-N 348.571 7.157 0 1 EKAF in-vitro COc1ccc(-c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)cc1OC 299830537 WSOTZUVCNVRMKZ-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF CC1=CC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586991585 PMGWGLRWGGBXLY-CQSZACIVSA-N 341.410 5.366 0 1 EKAF Cc1cncc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063092 ODBGCGHGKZDBKT-UHFFFAOYSA-N 333.822 5.178 0 1 EKAF Cc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074343 STCMBVUIBALNJW-GOSISDBHSA-N 343.833 5.001 0 1 EKAF Cc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Cl 587084557 CMGMBENNGRPQDD-UHFFFAOYSA-N 328.202 5.393 0 1 EKAF CNc1c(F)cccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587135906 RNMLCFVJERTDMB-UHFFFAOYSA-N 333.366 5.203 0 1 EKAF Fc1ccccc1CCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587151523 ZZWONXZAVXRVPJ-UHFFFAOYSA-N 346.405 5.066 0 1 EKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(C)c4[nH]3)c2)c1 587160087 GBDVPEOWGWBKNG-UHFFFAOYSA-N 332.378 5.353 0 1 EKAF CC1=CC(C)(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207130 HZYBIVVEBWPSMG-UHFFFAOYSA-N 325.411 5.432 0 1 EKAF O=C1c2ccccc2-c2cc([C@@H]3CC4CCC3CC4)nc3cccc1c23 587208707 YGIWCYKNFBNOPX-JFIBYHEFSA-N 339.438 5.740 0 1 EKAF COC[C@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363923 UMUDJOOGNNZDNP-AWEZNQCLSA-N 347.414 5.407 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)cs1)O2 587413424 NSMSXIOFGUAGSY-OAHLLOKOSA-N 341.457 5.074 0 1 EKAF CCc1cccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497952 LOESGESPYSNCMX-LJQANCHMSA-N 340.850 5.488 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3F)c2c1 587641010 ICQWHGBHHVBMKL-INIZCTEOSA-N 343.445 7.155 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc2c(c1)CCCC2 963234760 VRKMYWOJFUNGDI-UUOWRZLLSA-N 333.519 5.486 0 1 EKAF Fc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1772614244 NDKJUOCWASQAFX-GJZGRUSLSA-N 339.237 5.180 0 1 EKAF C[C@H]1CCCN(CCCCCCOc2cccc3ccccc23)C1 1857752387 GHYMSHCQNSDRMS-IBGZPJMESA-N 325.496 5.511 0 1 EKAF CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H](C)c3ccoc3C[C@H]12 2356641684 YUAQBFTWNHXSHR-WSCQXSPRSA-N 330.468 5.094 0 1 EKAF CCc1c(C)sc2c1CCN(Cc1ccccc1)[C@H]2c1ccccc1 8609029 AFIHDGJQHWYCEI-QFIPXVFZSA-N 347.527 5.767 0 1 EKAF CN(C)CCCCOc1ccccc1/C=C/c1ccc(Cl)cc1 27717692 VLEMMJQHYIWCHT-FMIVXFBMSA-N 329.871 5.231 0 1 EKAF CCCCCCNc1ccc(/C=C/c2ccnc3ccccc23)cc1 37868632 MTQBZIOYHFTGME-JLHYYAGUSA-N 330.475 6.397 0 1 EKAF Clc1ccc([C@@H]2ON=C(c3ccccc3Cl)O2)cc1Cl 40422880 YLRYBDHXIZAWTF-AWEZNQCLSA-N 328.582 5.054 0 1 EKAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)C=C2 95580525 UAJYKGPSRWOQCL-LHSJRXKWSA-N 344.451 5.237 0 1 EKAF CCCCC/C=C/CCCCCCCCCCc1cc(O)cc(O)c1 95619951 HUHFXXDYKXJMCS-VOTSOKGWSA-N 346.555 7.288 0 1 EKAF endogenous,in-man O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(OC3CCCCC3)cc21 143493169 TZYIPEYITGUTSO-LJQANCHMSA-N 348.364 5.177 0 1 EKAF CC/C=C/CCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587100011 CXMWIGSOFVBVMP-SNAWJCMRSA-N 341.454 6.044 0 1 EKAF CC[C@H](C)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102250 ZTTZGNVIBJUOPZ-DZGCQCFKSA-N 341.454 5.831 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)cc3)cc1)O2 587383437 BMDQVQUEHBOGKU-OAQYLSRUSA-N 347.389 5.090 0 1 EKAF O=C1C[C@H](c2ccc(Cl)c(F)c2F)Oc2c1ccc1c2CCCC1 587501571 CFRQHUWTYCAJEM-MRXNPFEDSA-N 348.776 5.204 0 1 EKAF CC[C@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587520855 CHJFCSDNEXPUDZ-HSZRJFAPSA-N 334.459 5.453 0 1 EKAF Cc1cccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526397 VGBQKVLKLIETKF-HSZRJFAPSA-N 334.459 5.231 0 1 EKAF O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2cc(F)ccc12 587633695 JEQSWTQNKZAFCV-UHFFFAOYSA-N 339.316 5.629 0 1 EKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cc1C 587633954 QBALXLPDEZEGRE-UHFFFAOYSA-N 335.300 5.336 0 1 EKAF CCCC/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816449 YGTGMGZLHOAYBQ-IMKMYNEFSA-N 340.280 5.084 0 1 EKAF CN(C/C=C/c1ccc(C(F)F)cc1)Cc1ccc2c(c1)OCCC2 1772590992 QWQQKFLSIQMLEL-DUXPYHPUSA-N 343.417 5.094 0 1 EKAF c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(c3cccs3)=NN2)cc1 1857744376 CGSONBPSBIOWGI-SFHVURJKSA-N 343.455 5.335 0 1 EKAF CC=C1[C@@H]2[C@H](CC[C@@H]1[C@]1(C)CCCC(C)(C)C1)CO[C@H]2OC(C)=O 2356802576 SKLIPPOIEUJEDF-LRNAHUNVSA-N 334.500 5.101 0 1 EKAF CC[C@H]([C@@H]1[C@H](c2ccccc2)CC(=O)[C@H](C)[C@@H]1c1ccccc1)N(C)C 2356842816 MYOLZZIZNJOFGG-FRUDXYRZSA-N 349.518 5.119 0 1 EKAF COc1cccc2c(Nc3ccccc3C)c(C(=O)C(C)C)cnc12 2333 MGHDMBHMTYWABM-UHFFFAOYSA-N 334.419 5.134 0 1 EKAF Cc1ccccc1[C@H](Cc1c(Cl)cccc1Cl)Cn1ccnc1 33493857 NGCDXSROLCOCPU-OAHLLOKOSA-N 345.273 5.525 0 1 EKAF COc1ccc(NC(=O)Nc2sc3ccccc3c2Cl)cc1 69063676 OEXAHFUZLFPOJG-UHFFFAOYSA-N 332.812 5.207 0 1 EKAF CC(C)C[C@@H](c1c[nH]c2ccc(F)cc12)N(O)Cc1ccccc1 71331934 PAQQKGSBFKPSFD-FQEVSTJZSA-N 326.415 5.286 0 1 EKAF CC(C)c1ccc(-c2cc(NC[C@H](C)c3ccccc3)ncn2)cc1 82160334 IJXFDFRPXOXYHN-KRWDZBQOSA-N 331.463 5.483 0 1 EKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@]12c1ccccc1 84723556 JBWMLKCKLWGOHC-NRFANRHFSA-N 327.408 5.005 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@@H]1C2 87721992 QUFRNANIXKUCID-UDPQINQGSA-N 348.527 5.347 0 1 EKAF Cc1cc(Cl)ccc1Oc1coc(/C=C/c2ccoc2)cc1=O 141876227 AKGBPZQBSBLENJ-DUXPYHPUSA-N 328.751 5.157 0 1 EKAF c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)s2)cc1 324470064 KGTBZAHAQJXKQK-UHFFFAOYSA-N 332.472 5.229 0 1 EKAF CCCc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586991972 SBQSCCPGDNLIIT-UHFFFAOYSA-N 331.415 5.228 0 1 EKAF Cc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1C 587015697 IDLJZKMFHHTGQG-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF Cc1cc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c(C)n1 587047661 ACBIBNGWPZOMFE-QWRGUYRKSA-N 332.234 5.153 0 1 EKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587068062 XPHRCFXQQMQTCJ-CYBMUJFWSA-N 342.870 5.962 0 1 EKAF Cc1cncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096759 KITFIHMNCCSBOX-UHFFFAOYSA-N 336.394 5.125 0 1 EKAF C[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1C(F)(F)F 587098713 TWQRWQLAIWLTHT-QMMMGPOBSA-N 342.723 5.526 0 1 EKAF Fc1ccccc1-c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 587153418 QUMSKVRRHBGIHF-UHFFFAOYSA-N 338.385 6.189 0 1 EKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C)cc2[nH]1 587240691 OOUAASFAUFNJSY-UHFFFAOYSA-N 329.403 5.291 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](C[C@H]1CC=C(C)C1(C)C)CC2=O 587476716 ALLMCMSPFYBRME-HUUCEWRRSA-N 328.452 5.061 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Cc1ccc(Cl)c(Cl)c1 587623775 PBYHZPKWXUCJLL-UHFFFAOYSA-N 338.665 6.336 0 1 EKAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 587627803 CGCNKNDONPXKQO-UHFFFAOYSA-N 338.165 5.067 0 1 EKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1772597999 ZHDLEFUWWZMTQD-BLBANIKRSA-N 329.572 5.906 0 1 EKAF O=C(O)C=CC[C@@H]1[C@@H]2C=CC=C[C@@H]2[C@H]1CC=CC=Cc1ccccc1 2356614613 AUNSFXNQIFBBRL-YSFYHYPLSA-N 332.443 5.281 0 1 EKAF CC(C)=CCC[C@]1(C)C=C[C@H]2c3[nH]c4ccccc4c3C=C(C)[C@H]2O1 2356664378 SCNGJZKZHKFTAO-CDNPAEQRSA-N 333.475 6.129 0 1 EKAF COc1ccc(C=Cc2cc(OC)cc(OC)c2CC=C(C)C)cc1 2356666530 BDUQKWXSHWYDGX-UHFFFAOYSA-N 338.447 5.392 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)CCC 13679533 TVEVVHHVLQUIBI-GKFVBPDJSA-N 345.571 6.658 0 1 EKAF CC1=C[C@@H]2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)[C@@H]2CC1 14649972 DYHMKBLKWFFFSZ-VQTJNVASSA-N 348.486 5.788 0 1 EKAF biogenic CC[C@@H](/C=C/c1ccccc1CN(C)C)c1ccc(Cl)cc1Cl 28566443 HEKSSMKKBRZAPD-FEAKQIBJSA-N 348.317 6.262 0 1 EKAF CCC[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 36289209 GPQZGTVZFASECT-ZAFLXNAQSA-N 328.496 5.114 0 1 EKAF CN(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 38542109 HATHCUUYHJQEAP-UHFFFAOYSA-N 337.463 5.502 0 1 EKAF Cc1cccc(NNC(=O)Nc2sc3ccccc3c2Cl)c1 69063706 UFDUNEGVBHNMKF-UHFFFAOYSA-N 331.828 5.012 0 1 EKAF Cc1ccc([C@@H](Nc2ccccc2)c2c(C)[nH]c3ccccc23)cc1 84729773 ZSRRDAVCCVHDTL-HSZRJFAPSA-N 326.443 5.986 0 1 EKAF CCCn1c(=S)c2nc(C3CCCC3)[nH]c2n(CCC)c1=S 100671875 MWVNTKWTRCFSNP-UHFFFAOYSA-N 336.530 5.102 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@@H]2CC[C@@H]1N2C 100771934 QRTMYRXFCOZLFS-CUXKYVRBSA-N 327.512 5.136 0 1 EKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1 103921390 YATLKSKPLQSHJA-FQEVSTJZSA-N 336.460 5.644 0 1 EKAF Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1cccn1-2 169324794 SYCBKNOYEJDXAN-UHFFFAOYSA-N 327.214 5.135 0 1 EKAF CCN(CC)CCOc1ccc(C(C)=O)cc1CCC1CCCCC1 169330215 YCHDMNGJOHTQKK-UHFFFAOYSA-N 345.527 5.123 0 1 EKAF CCC(=O)[C@@H]1[C@@H](c2ccc(C(CC)CC)cc2)C[C@H]2CC[C@H]1N2C 253898159 QRTMYRXFCOZLFS-NXLVEIQXSA-N 327.512 5.136 0 1 EKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586887248 HRUFHKBEBZVDDH-QLJPJBMISA-N 335.234 5.015 0 1 EKAF Cc1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067776 ORLBYVLKXUPOCQ-UHFFFAOYSA-N 348.833 5.351 0 1 EKAF Cc1ccc2c3c(cc(C4CCCCC4)nc13)-c1ccccc1C2=O 587099469 KFBXCZNSVWTTDY-UHFFFAOYSA-N 327.427 5.802 0 1 EKAF CC[C@H](C)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207203 JVUAILALPIJYGU-UONOGXRCSA-N 327.427 5.207 0 1 EKAF Cc1c(Cl)ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c12 587242072 OIIMAIRXVYUBCY-UHFFFAOYSA-N 341.842 5.176 0 1 EKAF Cc1ccc([C@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534102 VTGMACJPKNUXBQ-QFIPXVFZSA-N 338.447 5.374 0 1 EKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccncn2)cc1 587631040 VLGLRAYSEAYLOV-UHFFFAOYSA-N 341.748 5.224 0 1 EKAF C[C@H](Cc1ccccc1)[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962660211 HNZRGLKVCPUNBF-CLOONOSVSA-N 341.498 5.593 0 1 EKAF CCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21 1857604474 LASUHANCQLBZEC-PTGBLXJZSA-N 338.494 7.748 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356459237 DEKPALIRJFSIQW-KCZVDYSFSA-N 332.528 6.075 0 1 EKAF Fc1ccccc1-c1nc(-c2ccccc2)oc1NC1CCCCC1 8860595 NTWSBEOPNOIONK-UHFFFAOYSA-N 336.410 5.892 0 1 EKAF c1ccc(CN2CC[C@@H]3C(=C(c4ccccc4)c4ccccc43)C2)cc1 28261230 RYRBJSFQIXSOOF-QFIPXVFZSA-N 337.466 5.492 0 1 EKAF F[C@@H]1CCc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc21 28572351 AOVZEJRHIVGBCA-SNVBAGLBSA-N 339.119 5.155 0 1 EKAF O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)cc1 45258697 WIIMVJYCXMLKFJ-UHFFFAOYSA-N 343.213 5.308 0 1 EKAF CCCCCn1c(C2CCCCC2)nc2c(NCC(C)C)ncnc21 82177989 BPKRXKHGVKMESC-UHFFFAOYSA-N 343.519 5.132 0 1 EKAF Clc1cccc([C@@H]2C3=C(CCCC3)Nc3cc4c(cc32)OCO4)c1 101645124 HFSZIZDBDMENHB-HXUWFJFHSA-N 339.822 5.454 0 1 EKAF Clc1ccc2[nH]c(-c3cc4ccc(Br)cc4[nH]3)cc2c1 103259941 VVTDWMWCVMNCFZ-UHFFFAOYSA-N 345.627 5.732 0 1 EKAF CC(C)[C@H]1CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)Cc2ccco2)C1 103274462 ZLMHWEKLLGOBIL-PVERMEFCSA-N 340.551 7.181 0 1 EKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2cc(C(C)(C)C)no2)N3C)cc1 202979482 OEUNHOYSAHYKJP-WIRSXHRWSA-N 338.495 5.014 0 1 EKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)C1 299833681 VTWBWUXJZYSPKK-QGZVFWFLSA-N 328.843 5.399 0 1 EKAF CCCCCN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@@H]2C 299846983 OTRKZQOEFYWPGZ-GKVQRAMASA-N 349.518 5.135 0 1 EKAF O=C1c2ccccc2-c2c(CC3CCCCC3)cnc3ccc(O)c1c23 586991146 JWOQASZRWPTVOF-UHFFFAOYSA-N 343.426 5.275 0 1 EKAF Fc1cc(Cl)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587056100 YWEVNPZDHZUUSN-SNAWJCMRSA-N 341.600 5.833 0 1 EKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(O)c2[nH]1 587074244 UPJVWISPMGMJFK-UHFFFAOYSA-N 334.806 5.564 0 1 EKAF Cc1ccc2c3c(cc(/C=C/c4ccco4)nc13)-c1ccccc1C2=O 587100528 CAHJUJHTSTTXEX-MDZDMXLPSA-N 337.378 5.518 0 1 EKAF Cc1csc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587101649 IGPGQNDHQLSIPP-UHFFFAOYSA-N 341.435 5.792 0 1 EKAF Fc1ccc2c(-c3nc4cc(Br)c(F)cc4[nH]3)coc2c1 587175457 SLAKCXFHTPOOJR-UHFFFAOYSA-N 349.134 5.017 0 1 EKAF CCCCc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587479696 IXJZMNCNNRIARL-NRFANRHFSA-N 338.447 5.394 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3cc(C)ccc13)CC2=O 587485346 RWIFGPXPIZBHGA-HXUWFJFHSA-N 349.430 5.149 0 1 EKAF Cc1c(-c2cccc(Br)c2)[nH]c2cc(Cl)c(F)cc12 587628916 UUNZUNRLIXNVAR-UHFFFAOYSA-N 338.607 5.698 0 1 EKAF O=C(c1c(-c2cc3ccccc3o2)[nH]c2cccc(F)c12)C(F)(F)F 587633545 GFIGJIOTXGKURJ-UHFFFAOYSA-N 347.267 5.465 0 1 EKAF Cc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587948533 DSHOLRKPJDEXFK-UHFFFAOYSA-N 348.833 5.908 0 1 EKAF COc1cccc(C(=O)Oc2cc3c(C)ccc(C(C)C)c3cc2C)c1 1772584375 IVEKAOLNGCJJCH-UHFFFAOYSA-N 348.442 5.808 0 1 EKAF Clc1ccc(COc2ccccc2-c2nc3cccnc3o2)cc1 1857743762 IGJRIGPLIZACRA-UHFFFAOYSA-N 336.778 5.122 0 1 EKAF CC(C)(C)c1cc([C@@H]2COc3ccccc3C2)cc(C(C)(C)C)c1O 2356283811 BZIZIHPJXDDAKT-KRWDZBQOSA-N 338.491 5.706 0 1 EKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@]1(C)C=CC(=O)OC1 2356443565 PDFUYNQQCGLVBA-VWPQPMDRSA-N 336.560 6.545 0 1 EKAF CC(=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1)CO 2356696914 ZQCPSDWUSDOQTE-QFIPXVFZSA-N 344.495 5.230 0 1 EKAF CC(=O)O[C@H]1C[C@H]2CCC(C)=CCCC(C)=CCC[C@@]1(C)C[C@]2(C)O 2356730770 GXXLLEDKYVEOQW-MLNNCEHLSA-N 348.527 5.332 0 1 EKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2cc(C)cc(O)c2C[C@H]1O 15120206 OELJEAVRDMYCHY-NCSHIYJNSA-N 344.495 5.228 0 1 EKAF CCCCC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708097 AHZUGQDNSYDLNN-JOCHJYFZSA-N 337.507 5.292 0 1 EKAF in-vivo CC[C@@H]1O[C@@H]1CCCCCCCCCCCCCCCC(=O)O 72110057 WNFVVRZXZJGWHQ-RBUKOAKNSA-N 326.521 6.100 0 1 EKAF CSc1ccc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc1 103921387 YATLKSKPLQSHJA-HXUWFJFHSA-N 336.460 5.644 0 1 EKAF O=C1CCc2cc(Nc3cccc(Oc4ccccc4)c3)ccc2N1 169353106 HYDCKOONLMXSHY-UHFFFAOYSA-N 330.387 5.107 0 1 EKAF COc1cc(OC)c2[nH]c(-c3c(C)cccc3-c3ccccc3)nc2c1 586878126 CAXGFUVAJXIOHX-UHFFFAOYSA-N 344.414 5.223 0 1 EKAF Fc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1C(F)(F)F 587097191 GIGAXCZXXZKFHE-UHFFFAOYSA-N 330.284 5.541 0 1 EKAF C[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107872 WZLCIHLYHDKIEN-INIZCTEOSA-N 349.433 5.792 0 1 EKAF Cc1ccc(C)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587113035 JBZYYZJKLDPJOG-CYBMUJFWSA-N 332.369 5.545 0 1 EKAF COc1cccc(-c2cc(-c3ccco3)nc3c2oc2ccccc23)c1 587367338 VTJQVKJYQQLAGY-UHFFFAOYSA-N 341.366 5.917 0 1 EKAF CCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811737 GYUDUFDEYHINLI-SJCJKPOMSA-N 342.296 5.308 0 1 EKAF CCC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812619 JTUKQHATCHEOKX-DIFFPNOSSA-N 342.296 5.164 0 1 EKAF COc1cccc(C2(c3nc4cccc(Cl)c4[nH]3)CCCC2)c1 587930632 IUBAWPANMXVCCQ-UHFFFAOYSA-N 326.827 5.085 0 1 EKAF COc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949205 BAVHENHIDPEVAN-SDNWHVSQSA-N 342.398 5.534 0 1 EKAF CC(=C[C@@H](O)CC(C)=CCCc1ccco1)CCCc1ccoc1 2356643573 XNUVIJCRRGJXMD-HXUWFJFHSA-N 328.452 5.472 0 1 EKAF COCc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cc1 36388977 NPEAWJPJGHJESY-UHFFFAOYSA-N 336.481 6.443 0 3 EKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(C)c1 198627900 PNERZWCGSGPQFA-UHFFFAOYSA-N 334.463 5.258 0 3 EKAF CN(C/C=C/c1cccc2ccccc12)Cc1cccc2ccccc12 28245068 YVLKQCPTQTVGFE-OVCLIPMQSA-N 337.466 6.138 0 1 EKAF Cc1cc(/C=C/c2ccccc2OCc2ccccc2)cc(C)c1O 29553461 RFVYAOYWQFRMRO-OUKQBFOZSA-N 330.427 5.758 0 1 EKAF CC(C)=CCOc1cc(Nc2nccc3cc[nH]c23)ccc1Cl 35075885 DECIGQYMVANUEL-UHFFFAOYSA-N 327.815 5.305 0 1 EKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)s1 40896998 TXWHXGQHLIUNEW-UHFFFAOYSA-N 339.460 5.779 0 1 EKAF CC(C)=CCC/C(C)=C\CNC(=N)NC/C=C(/C)CCC=C(C)C 84154155 WWGVMWNCEFTAEP-AXPXABNXSA-N 331.548 5.486 0 1 EKAF biogenic,in-vitro Fc1cccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)c1F 167190738 NZGBDMCOVBIDIJ-FNORWQNLSA-N 333.341 5.074 0 1 EKAF CN(C)c1ccc([C@H](C[C@@H](N=O)c2ccncc2)c2ccccc2)cc1 169730249 GAOIASSLHDSFLE-FGZHOGPDSA-N 345.446 5.177 0 1 EKAF c1csc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)c1 299822283 NFGSQDZIRSGKFJ-UHFFFAOYSA-N 331.465 6.110 0 1 EKAF CC(C)(C)C1=NN(c2ccccc2Cl)[C@H](c2ccc(O)cc2)C1 299827869 IRFBIJLFQWITKQ-KRWDZBQOSA-N 328.843 5.399 0 1 EKAF Clc1cc(Cl)cc(-c2c(-c3ccccc3)nc3cnccn23)c1 473168131 KMBXRGHTQQDZCT-UHFFFAOYSA-N 340.213 5.370 0 1 EKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cccc(F)c2[nH]1 587151416 YDRQLQXUJIRVDW-GOSISDBHSA-N 335.357 5.043 0 1 EKAF CCc1nc2cccc3c2c(c1CCC(C)C)-c1ccccc1C3=O 587206034 JPAFEMWTEYAZSW-UHFFFAOYSA-N 329.443 5.597 0 1 EKAF Cc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207419 SXOTXHUHUFEBDU-UHFFFAOYSA-N 349.433 5.540 0 1 EKAF C[C@@H]1c2nc3cccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O 587207900 OJACMPTXLAKRQF-XOBRGWDASA-N 347.417 5.695 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C3CCCCC3)cc1)O2 587407093 XAZSJPRNATXENC-HSZRJFAPSA-N 349.474 5.506 0 1 EKAF C[C@@H](C1CCCCC1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525274 RLEPXHATOKKKNV-OYHNWAKOSA-N 326.480 5.506 0 1 EKAF Cc1c(Cl)ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951725 YXCZRWDZZIDHQH-UHFFFAOYSA-N 330.859 5.010 0 1 EKAF Cc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587955837 QPRURLUWSWXDEW-HXUWFJFHSA-N 326.443 5.554 0 1 EKAF CC(C)=CCC/C(C)=C/c1nc2ccc(Br)c(O)c2[nH]1 587968737 OZFMYMJDDCCIMP-PKNBQFBNSA-N 335.245 5.181 0 1 EKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(C)c1OC(F)F 963241145 LUXPBAFAYFZYCR-HNAYVOBHSA-N 345.433 5.342 0 1 EKAF CC(=CCCC1=Cc2c(O)cc(C)cc2O[C@H]1C)CC(=O)CC(C)C 2356862828 UNTQJRZKAWYOEP-KRWDZBQOSA-N 342.479 5.597 0 1 EKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NC 13797945 JOBBYDDNTZTZMO-ZKWNWVNESA-N 332.532 5.671 0 1 EKAF c1ccc2sc(C3(N4CCCCCC4)CCCCCC3)cc2c1 13826813 SHYAOKYYAHMSCY-UHFFFAOYSA-N 327.537 6.327 0 1 EKAF in-vivo CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)on1 72119027 VWCNTMRMMCMZRA-UHFFFAOYSA-N 328.456 5.164 0 1 EKAF C[C@@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C 72180290 HOWHTZZMBNDYEO-SNVBAGLBSA-N 327.255 5.173 0 1 EKAF CN(Cc1ccccc1)c1cc(Oc2ccc3ccccc3c2)ncn1 82067425 IFBSUTOTVMXFER-UHFFFAOYSA-N 341.414 5.059 0 1 EKAF CC(C)(C)/C(O)=C/C1=N[C@@H]2CCCC[C@H]2N=C1/C=C(\O)C(C)(C)C 104703880 CXQOZEWPWHHEFX-YSGDFDITSA-N 332.488 5.169 0 1 EKAF Cn1ccc2cc(-c3ccc4oc(Nc5ccncc5)nc4c3)ccc21 149403789 KLIJMIQWFKBBKO-UHFFFAOYSA-N 340.386 5.125 0 1 EKAF CC(C)(C)c1ccccc1C(=O)[C@@H](c1ccccc1)c1ccccn1 169333187 UCPZOUVCHPVDDG-NRFANRHFSA-N 329.443 5.394 0 1 EKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3cccc(O)c3)n2)cc1 473135246 MXUCYQXQSNPRRA-UHFFFAOYSA-N 345.423 5.555 0 1 EKAF CCCCC1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 586887694 HHSKMWGDWIBGMO-UHFFFAOYSA-N 326.271 5.729 0 1 EKAF Clc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc2n1 587084575 CNJYBHDJZSMZBS-UHFFFAOYSA-N 349.608 5.133 0 1 EKAF FC(F)(F)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085959 QCYRCHUJOHWHIH-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF Nc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc2ccccc12 587254690 VEFHINZCQZZQIJ-UHFFFAOYSA-N 345.299 5.123 0 1 EKAF CCCc1c(O)ccc2c1O[C@@](CCC(C)C)(c1ccoc1)CC2=O 587485250 UNDYBEVOASTDLP-OAQYLSRUSA-N 342.435 5.235 0 1 EKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)CC1CCCCC1)CC2=O 587491661 YCHFYYSHQXJFPT-VBKZILBWSA-N 330.468 5.285 0 1 EKAF O=C1C[C@H](c2ccccc2C(F)F)Oc2c1ccc1c2CCCC1 587502448 FCHCOIRDJJETOY-GOSISDBHSA-N 328.358 5.210 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(OC(C)=O)c2c1 587640301 HASILLDXOKCTCF-LBPRGKRZSA-N 341.838 5.927 0 1 EKAF Oc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3Cl)n2)c1 653739085 OOLWOIDYHRJDTG-UHFFFAOYSA-N 347.801 6.035 0 1 EKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CC1CCC1)c1ccccc1 963109521 UZIUSXXTZKVCDH-FYYLOGMGSA-N 335.466 5.280 0 1 EKAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CCc3cc(C(C)C)ccc3[C@]2(C)C1 13302859 WIPBCBTWUKPWAM-CBQOVEMMSA-N 328.496 5.382 0 1 EKAF biogenic c1ccc(CNc2nc(CC3CCCCC3)nc3ccsc23)cc1 13781379 NOALWNKCLHJMNK-UHFFFAOYSA-N 337.492 5.426 0 1 EKAF Cc1ccc2[nH]c3c4c(ccc3c2c1)O[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]4C2(C)C 14859660 YNDNDGLKKJXJED-NSOPBCBCSA-N 331.459 5.930 0 1 EKAF endogenous,in-man CSc1ccc([C@@H]2CN3CCC[C@@H]3c3ccc(Cl)cc32)cc1 26669354 JSGXTZMCQYACBY-RBUKOAKNSA-N 329.896 5.344 0 1 EKAF FC(F)(F)c1ccc(O[C@@H](CCn2ccnc2)c2ccccc2)cc1 28386968 XXBMUFKLXRCIFB-SFHVURJKSA-N 346.352 5.112 0 1 EKAF CC1=CCc2oc3ccc(Br)cc3c2-c2oc(C)cc21 35315934 SYNAWGKFVBQZPS-UHFFFAOYSA-N 329.193 5.723 0 1 EKAF biogenic CCCC/C=C\CCCCCCCCC/C=C/CC(=O)C(F)(F)F 103173880 UCIDMQKKABIWDU-RAPDCGKPSA-N 346.477 7.321 0 1 EKAF Clc1ccc(/C=C/c2n[nH]c3cc(-c4ccncc4)ccc23)cc1 167071172 AOGKQABBUOAKFC-FPYGCLRLSA-N 331.806 5.449 0 1 EKAF CN(CCc1ccccc1)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 169338041 FVMDCJNCPHANNG-UKILVPOCSA-N 341.498 5.308 0 1 EKAF CC/C=C/C/C=C\C/C=C/C/C=C/CCCCCCCCC(=O)OC 238733173 XKZIJJIPQXQYBG-VYOAWMJDSA-N 346.555 7.085 0 1 EKAF CCc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 250496977 CSVZRSLESIKPMY-DOWMQLCMSA-N 347.458 5.244 0 1 EKAF Clc1cc(Cl)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023106 DQMGGNRUJVCYNT-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Cc1ccc2c3c(c(C(C)C)c(C(C)(C)C)nc13)-c1ccccc1C2=O 587099154 BURYBNSTRBPSPE-UHFFFAOYSA-N 343.470 6.176 0 1 EKAF CC[C@H]1CC[C@@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100330 GMNVGAKPCFOOBM-HIFRSBDPSA-N 341.454 6.146 0 1 EKAF Cc1ccc2c3c(c(C4CCCCC4)cnc13)-c1ccccc1C2=O 587100582 LLBSCRNDWNXGPB-UHFFFAOYSA-N 327.427 5.802 0 1 EKAF Cc1csc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587101741 LYKPVRKVBBUMAD-UHFFFAOYSA-N 342.423 5.187 0 1 EKAF c1cc2c3c(cc(-c4ccc(OC5CCCCC5)cc4)nc3c1)CC2 587213247 GQPIILIRVIVGRD-UHFFFAOYSA-N 329.443 5.712 0 1 EKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cc1Cl 587250970 VIJFFIUNJFVRSJ-UHFFFAOYSA-N 349.821 5.141 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccsc1)O2 587411605 DRCAVUVLOJQUAB-LJQANCHMSA-N 335.428 5.012 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc3ccc(Cl)cc13)O2 587414197 LKNLWMXXKGKASB-MRXNPFEDSA-N 343.835 5.152 0 1 EKAF CCCCc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587479720 IXJZMNCNNRIARL-OAQYLSRUSA-N 338.447 5.394 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(C)c(C)ccc3[nH]1)CC2=O 587483224 LMQAOBXKFAYUIV-NRFANRHFSA-N 349.430 5.149 0 1 EKAF Cc1ccc([C@@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587527405 VCJPYZMTHSIGPQ-URXFXBBRSA-N 346.470 5.546 0 1 EKAF Cc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587785253 ZPENOZILXYJFLQ-UVTDQMKNSA-N 340.426 5.621 0 1 EKAF C/C(=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCCC1 587967897 NJIRSZMHYOERPJ-JXMROGBWSA-N 342.792 6.219 0 1 EKAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12 5634 VEAFPKIMCGYMFZ-UHFFFAOYSA-N 334.463 5.026 0 1 EKAF in-vivo Oc1cccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)c1 49111124 VNKCREXUIZRWPF-UHFFFAOYSA-N 329.424 5.850 0 1 EKAF in-vivo Cc1ccc(Nc2ccc(-c3ccncc3)s2)c(Br)c1 66166491 ZKFQAAFZJRVIBR-UHFFFAOYSA-N 345.265 5.625 0 1 EKAF C[C@H](NCc1coc(-c2ccc(C(C)(C)C)cc2)n1)c1ccccc1 72186515 MYAVPOOSEMNELZ-INIZCTEOSA-N 334.463 5.490 0 1 EKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccccc1 100632701 ZPGPTWHKZBMVBI-JOCHJYFZSA-N 346.430 5.253 0 1 EKAF OC1=C2Sc3cc(F)ccc3N=C2C[C@@H](c2ccc(Cl)cc2)C1 100796248 OTHRPXZOUNCYQW-LLVKDONJSA-N 345.826 6.005 0 1 EKAF CC(=O)O[C@H](CC=C(C)C)/C(C)=C/CC/C(C)=C/CCc1ccoc1 144487488 SOHPHTAYOPPFMJ-MPVQJCFPSA-N 344.495 6.173 0 1 EKAF CCOC(=O)c1ccc([C@H]2C[C@H]2c2ccc3c(c2)[C@H]2CC[C@H]3C2)cc1 195194293 JXPKDVUVFSQUEH-QPAOKJHLSA-N 332.443 5.499 0 1 EKAF CC(C)c1nc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587535762 OCXIEXGWCGNWML-FQEVSTJZSA-N 341.476 5.026 0 1 EKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(F)cc2)cc1 587624397 JFXAQSGWYXGTPN-UHFFFAOYSA-N 349.836 6.911 0 1 EKAF Fc1ccc2c(-c3ccccc3)c(C(F)(F)Br)[nH]c2c1 587633387 CAZKKUSLESJKFO-UHFFFAOYSA-N 340.142 5.418 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3O)c(C)c2c1 587638652 HMLNIXKVEMHGBZ-JTQLQIEISA-N 348.273 6.669 0 1 EKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C(C)C)cc3)c2c1 587641417 FSSIFHIAQWMDBJ-OAHLLOKOSA-N 348.490 6.366 0 1 EKAF FC(F)(F)c1ccc(-c2nc3c(Cl)c4ncccc4cc3[nH]2)cc1 653825328 YSAMNUSNKSSPOT-UHFFFAOYSA-N 347.727 5.450 0 1 EKAF Nc1nc(-c2ccc(Cl)cc2)cc(-c2cccc3ccccc23)n1 28707213 CPBGMSXRYKGITP-UHFFFAOYSA-N 331.806 5.199 0 1 EKAF C[C@@H](OC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc12 40395095 RFHLGSZRGYXJIV-CYBMUJFWSA-N 341.863 5.968 0 1 EKAF CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)C=C(c2ccccc2)N1 169348090 BQEPENVGAYBSNO-IBGZPJMESA-N 347.458 5.032 0 1 EKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCCC2)s1 206844172 XPGYEBDRSQTRGG-IBGZPJMESA-N 340.492 5.210 0 1 EKAF COC(=O)C[C@]1(C)C[C@H]2C3=C(CC[C@@H](C)[C@]2(C)O1)C(C)(C)CCC3 207150804 LWWWPWARMZZQBS-KAKWUFLPSA-N 334.500 5.040 0 1 EKAF Clc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Cl 586903293 IFDLSAPXHPGOSN-UHFFFAOYSA-N 331.202 5.401 0 1 EKAF Fc1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016498 XASZCXADMKEMBZ-UHFFFAOYSA-N 329.787 5.146 0 1 EKAF Clc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016910 DYMQOVNZXMQTFI-UHFFFAOYSA-N 347.230 5.055 0 1 EKAF Clc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1Cl 587023022 CFBOQNLQVWZPSI-UHFFFAOYSA-N 346.242 5.660 0 1 EKAF Clc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)O2 587080758 PGWGWAOEPAEETP-AWEZNQCLSA-N 339.609 5.199 0 1 EKAF Fc1ccc(S)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587142879 OZRZYBAEDWMZLF-UHFFFAOYSA-N 336.391 5.450 0 1 EKAF Nc1ccc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587251262 ADRCNLGSYPBJEK-JYRVWZFOSA-N 343.455 5.467 0 1 EKAF O=C1C[C@H](c2cccc(C3CCC3)c2)Oc2c1ccc1c2CCCC1 587525336 ODZKRSQVFXZPEZ-JOCHJYFZSA-N 332.443 5.539 0 1 EKAF OCc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949842 LGQGTZPYXIYKFE-QBFSEMIESA-N 342.398 5.018 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1 587958610 BEWZALOQBOWXPH-UHFFFAOYSA-N 348.449 6.282 0 1 EKAF CC(=C[C@H]1C[C@@H](CCCc2ccoc2)C(=O)O1)CCCc1ccoc1 2356468023 OIYBDVCLZOMQSJ-UXHICEINSA-N 342.435 5.096 0 1 EKAF CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1 13806731 JIBMWJCMDPEYQP-UHFFFAOYSA-N 342.438 6.815 0 1 EKAF in-vivo CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1 26017267 UEBLHMVIWONMDE-WCWDXBQESA-N 342.438 5.981 0 1 EKAF Clc1ccc([C@@H]2N=C(NCc3ccccc3)Cc3ccccc32)cc1 26575634 KABGWRNUXZSHGR-QFIPXVFZSA-N 346.861 5.174 0 1 EKAF C/C(=C\CCc1ccoc1)C[C@@H]1C=C(C/C=C/c2ccoc2)C(=O)O1 34223683 RSURXMFKHSIZSB-LLSJCHBOSA-N 338.403 5.097 0 1 EKAF CCN(Cc1coc(-c2ccccc2Cl)n1)c1ccc(C)cc1 72101498 VCIHLYPGCVKEOO-UHFFFAOYSA-N 326.827 5.330 0 1 EKAF Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 166931667 NODZPXVGPLHXRM-FMIVXFBMSA-N 326.403 5.059 0 1 EKAF CCC[C@H](C)C[C@H](C)/C=C(C)/C=C(/C)c1oc(=O)c(C)c(O)c1C 199817308 SAHYKMIMGJKBCR-YGFWDGJMSA-N 332.484 5.774 0 1 EKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(F)F)C4)-c1ccccc1C2=O 586994838 FLZRUNSHBZMKSF-GFCCVEGCSA-N 349.380 5.125 0 1 EKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cncc(Cl)c2[nH]1 587049132 LJEVGFXXJYCFJX-SFYZADRCSA-N 338.625 5.189 0 1 EKAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CC[C@H]4C1)-c1ccccc1C2=O 587100608 MCPTVRBTFSFSQH-KBPBESRZSA-N 325.411 5.194 0 1 EKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)o1 587101703 OXCDTXSXMLDLIL-UHFFFAOYSA-N 339.394 5.631 0 1 EKAF FC(F)(F)c1ccc(-c2cc3c4c(cccc4n2)CC3)c(Cl)c1 587210054 CDYFDPNXPLYURX-UHFFFAOYSA-N 333.740 5.673 0 1 EKAF C1=CCCc2c(nc3cccc4c3c2CC4)CCCCCCCCCC1 587215189 IUXOCFCPKLZBKN-UHFFFAOYSA-N 347.546 6.889 0 1 EKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CCCC[C@@H]3C1)CC2=O 587478297 FOBRGSJOKUVFPV-ZSDSOXJFSA-N 328.452 5.039 0 1 EKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(C)(C)C)s1)CC2=O 587495522 RTUSLVBBHFPTIQ-INIZCTEOSA-N 344.476 5.410 0 1 EKAF CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587520781 AVGUENKOXMKRQD-UHFFFAOYSA-N 326.480 5.506 0 1 EKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccccc3F)[nH]c12 587624856 VLHSIPWXNXZCBT-UHFFFAOYSA-N 335.809 6.603 0 1 EKAF COc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1NC(C)C 587630741 CAGZXTSELBXPPC-UHFFFAOYSA-N 332.806 5.456 0 1 EKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c(C(=O)O)cccc12 587637777 IKDRQSRCIYBWLT-UHFFFAOYSA-N 344.414 5.061 0 1 EKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587638093 TZTISAHHTPNVET-UHFFFAOYSA-N 333.309 5.114 0 1 EKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 1857545624 SFEGWKZXGMFLMU-SFPRVHAESA-N 339.479 5.875 0 1 EKAF CC(=O)OCC=C(C)CCC=C(C)CC[C@H]1C(C)=CCCC1(C)C 2356543538 PQYWBNNJEQNUKJ-NRFANRHFSA-N 332.528 6.385 0 1 EKAF Cc1cc2c([nH]c3ccccc32)c2c1O[C@@]1(C)C[C@H]2[C@H]2C[C@H]1C2(C)C 2356632632 FFUZXDPGMLVSKU-FIEAQMJYSA-N 331.459 5.930 0 1 EKAF COC(=O)C[C@H](C)CC[C@@]1(C)C2=C(CC[C@@H]1C)C(C)(C)C(=O)CC2 15266656 CUSRCNNOZUKUSM-LRAJWGHMSA-N 334.500 5.088 0 1 EKAF biogenic c1cc(-c2ccc(Cc3ccc(OC[C@H]4CCCN4)cc3)cc2)cs1 38792204 SQTQDPVUMYCCFJ-OAQYLSRUSA-N 349.499 5.137 0 1 EKAF O=c1oc(OCCCCCC2CCCCC2)c(Cl)c2ccccc12 40955250 ULGDJLREEBQCMV-UHFFFAOYSA-N 348.870 5.966 0 1 EKAF OCCc1ccc(Nc2ccnc3ccc(-c4ccccc4)cc23)cc1 58487637 JARWZNQSRILQLG-UHFFFAOYSA-N 340.426 5.180 0 1 EKAF O=C(Nc1ccc(Sc2ccccc2)cc1)c1ccccc1Cl 66104922 ZUBHEXWTPWLFDJ-UHFFFAOYSA-N 339.847 5.744 0 1 EKAF Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1 66113661 ZGMITHXEOJLYNA-UHFFFAOYSA-N 346.217 5.494 0 1 EKAF CCOc1ccc(-c2cc(N[C@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162270 PTWZHLQEPJYFED-RDJZCZTQSA-N 339.483 5.169 0 1 EKAF CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C/[C@]12C[C@]1(C)CCCC2(C)C 169301603 ZQAZXAXJQNKOAF-HNPSKWBKSA-N 342.523 6.161 0 1 EKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586887246 HRUFHKBEBZVDDH-QFYYESIMSA-N 335.234 5.015 0 1 EKAF CCCOc1cc2nc([C@@H]3C[C@]3(C)CC)[nH]c2cc1Br 586892808 WTYKBOGIUXGSDY-QFYYESIMSA-N 337.261 5.018 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586963434 NVGSURLUKBQOMY-LLVKDONJSA-N 336.382 5.576 0 1 EKAF C(=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1)\c1ccsc1 587026597 VUGMILRBLPSDIX-RMKNXTFCSA-N 332.428 5.374 0 1 EKAF Clc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587051020 RJBRDHPYHCKTBQ-SFYZADRCSA-N 338.625 5.189 0 1 EKAF CCCC/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099480 KQNSSOYHLHHKAZ-RMKNXTFCSA-N 327.427 5.958 0 1 EKAF Cc1cc(Br)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160972 JOXLQDVMQIFQPR-KGLIPLIRSA-N 345.215 5.044 0 1 EKAF Cc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Cl 587164733 VUFSIEOVQUFWJS-UHFFFAOYSA-N 342.826 6.059 0 1 EKAF Clc1ccc(-c2cc3c4c(cccc4n2)CC3)c(Cl)c1Cl 587209200 JLBBKDYBXGNICU-UHFFFAOYSA-N 334.633 5.961 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(F)c1)CC2=O 587466467 LSEUSTONKRVSSL-IBGZPJMESA-N 348.801 5.018 0 1 EKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C1CC1)CC2=O 587490162 RXPFZJYIZQTZFL-QFIPXVFZSA-N 336.431 5.103 0 1 EKAF Cc1cc2c(cc1F)[C@@](C)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962149679 XJTLRYTVRAHLNS-XMMPIXPASA-N 343.445 5.115 0 1 EKAF CCCC=C1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C 1857621632 BQVHFOPMRIIBJO-JGQIHZOTSA-N 340.507 5.983 0 1 EKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)SCCC2(C)C 4862632 JGLODORGZKJZIF-WYMLVPIESA-N 338.472 5.719 0 1 EKAF NC1=NC(c2ccc(Cl)cc2)=C[C@H](c2cccc(Cl)c2)S1 6534912 YESVGXMPKWCTKG-OAHLLOKOSA-N 335.259 5.137 0 1 EKAF Cc1cc(CCCCCCC(=O)O)c(CCCc2ccccc2)s1 13726622 KXFOGJGKRSYONJ-UHFFFAOYSA-N 344.520 5.809 0 1 EKAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1CCCCc1ccccc1 13861319 SOTXRBRECFGWCR-GCJKJVERSA-N 348.465 5.392 0 1 EKAF CC(C)=C(c1ccccc1OCCCc1ccccc1)n1ccnc1 28767153 CMAGGABCSOCKJN-UHFFFAOYSA-N 332.447 5.194 0 1 EKAF CCOC(=O)c1ccc([C@H]2C[C@@H]2c2ccc3c(c2)[C@H]2CC[C@@H]3C2)cc1 29312053 JXPKDVUVFSQUEH-WOSNLTMFSA-N 332.443 5.499 0 1 EKAF CSc1ccc(C[C@@H](C)N[C@H](C)Cc2ccc(SC)cc2)cc1 49803606 CCIYCSAEJVZXQO-HZPDHXFCSA-N 345.577 5.282 0 1 EKAF Cc1nccc2c1[nH]c1cc(OCc3ccc4ccccc4c3)ccc12 66101034 IJFIGOXMFMCUSL-UHFFFAOYSA-N 338.410 5.757 0 1 EKAF COc1cccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)c1 84690083 NHPHYUBCROWCHI-UHFFFAOYSA-N 344.336 5.520 0 1 EKAF CCCC[C@@H](CC)CNc1ccc2c(Cl)c(OC)oc(=O)c2c1 95585976 ZQDZTUAZDXROPL-GFCCVEGCSA-N 337.847 5.083 0 1 EKAF CCCCC[C@H](C)CCCCCCCCCCCC[C@@H](O)CO 102186329 CWVKRPMEOLUEOW-LEWJYISDSA-N 328.581 6.237 0 1 EKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 103232759 HCSPUUGFMREMHT-OAQYLSRUSA-N 344.410 5.201 0 1 EKAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 195520400 DFXPIMWGGIKCJK-XHIHJMKYSA-N 344.539 5.993 0 1 EKAF CNc1c(F)cccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587135667 LWWBFMMYHBITKK-UHFFFAOYSA-N 349.434 5.562 0 1 EKAF CC[C@@H](C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 587213452 SLSBWTBSQVHZDK-OAHLLOKOSA-N 344.458 5.028 0 1 EKAF O=C(c1cc(C(F)(F)F)cc(Cl)c1F)c1coc2ccccc12 587280965 LIRMHBHCXSVSLR-UHFFFAOYSA-N 342.675 5.475 0 1 EKAF COc1cccc(-c2c(CCC(C)=O)cnc3c2oc2ccccc23)c1 587365354 JWMNFPGFBXLGPU-UHFFFAOYSA-N 345.398 5.178 0 1 EKAF CCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365556 LOKQWRFFRVZTEY-UHFFFAOYSA-N 345.442 6.389 0 1 EKAF CC[C@@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587520869 CHJFCSDNEXPUDZ-QHCPKHFHSA-N 334.459 5.453 0 1 EKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)c(Cl)c3)c2c1 587642781 VWKXYPMKHUWNKX-NSHDSACASA-N 332.274 6.964 0 1 EKAF Cc1ccccc1-c1ccc(Cc2nc3c(C)cnc(Cl)c3[nH]2)cc1 587959593 QASSLSRSHSPDPD-UHFFFAOYSA-N 347.849 5.486 0 1 EKAF COc1ccc(-c2oc3ccc(F)cc3c2-c2ccc(OC)cc2)cc1 1857635642 ASXWREOJTAGZGL-UHFFFAOYSA-N 348.373 5.923 0 1 EKAF CC(=CCCC(C)=CCC[C@]1(C)C=Cc2c(O)cc(C)cc2O1)CO 2356406100 MYAKCCHNPIRCLY-JOCHJYFZSA-N 342.479 5.310 0 1 EKAF CCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 14946828 TYNLGMGANHYOFS-BQPSWIPZSA-N 340.507 5.280 0 1 EKAF C(/C=C/c1ccccc1)=C\OCC1CCN(Cc2ccccc2)CC1 26475276 WJLATVOFFJQTEJ-BTSJBCBBSA-N 333.475 5.142 0 1 EKAF Cc1c(-c2ccc(O)cc2)n(Cc2ccccc2)c2cc(O)ccc12 28767781 YCOLPRNAOBKLMB-UHFFFAOYSA-N 329.399 5.076 0 1 EKAF CCCN(CC1CC1)c1nc(C)nc2c(-c3ccccc3)cc(C)cc12 45167295 JCFFXHKIFOAGIQ-UHFFFAOYSA-N 345.490 5.540 0 1 EKAF c1ccc2c(c1)Sc1ccccc1C2C[C@@H]1CCCN2CCCC[C@H]12 71295188 WVOUDCCPOUYBDE-LAUBAEHRSA-N 349.543 5.938 0 1 EKAF COc1ccc(Nc2nccc3c2cc(-c2ccsc2)n3C)cc1 74387006 JBBLZSUXTAHDLX-UHFFFAOYSA-N 335.432 5.054 0 1 EKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)CC1 586881259 SAXDDURTCGPNBZ-IYARVYRRSA-N 347.506 6.397 0 1 EKAF C[C@@H](SCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 586962053 AWQRRCNJOJSPNN-LLVKDONJSA-N 347.281 5.320 0 1 EKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2n1 587250138 IISOOKXQXBDPOD-UHFFFAOYSA-N 342.446 5.172 0 1 EKAF COc1cccc(-c2cc(CCC(C)C)nc3c2oc2ccccc23)c1 587364886 FOIPUBAWKYXXLL-UHFFFAOYSA-N 345.442 6.245 0 1 EKAF C[C@]1(c2ccccc2C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525302 RMEUHUYSOAIKTD-XMMPIXPASA-N 346.470 5.714 0 1 EKAF Cc1ccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587532647 MMDGGJGUVUUSJS-HSZRJFAPSA-N 346.426 5.501 0 1 EKAF Oc1ccc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587942411 YBRHJGCTHWGURG-UHFFFAOYSA-N 347.412 5.156 0 1 EKAF Cc1sc2c(c1C)CCN[C@]21CCC[C@H]1c1ccc(Cl)cc1 963010244 MQXHTNPZSJYHKC-HKUYNNGSSA-N 331.912 5.327 0 1 EKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(-c2ccccc2)no1 963241663 NGAKYWINFFCARM-OPAMFIHVSA-N 332.447 5.088 0 1 EKAF CCC=CCCC=CCCCCC=CCCCCCCCC(=O)O 2356796078 MUDDABLMNYAAES-UHFFFAOYSA-N 334.544 7.221 0 1 EKAF CC(=O)O[C@H]1CC(C)(C)[C@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@]2(C)C1 14410344 VCHOJBNJCIADHY-HIUFNZKISA-N 330.512 5.683 0 1 EKAF CCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941625 XGJBQLUMKAYNAP-PCCBWWKXSA-N 342.914 5.346 0 1 EKAF C(CCCNCCc1ccccc1)=C(c1ccccc1)c1ccccc1 26294138 UONKTLYIWVZYQV-UHFFFAOYSA-N 341.498 5.731 0 1 EKAF CC(C)=CCC/C(C)=C/c1ccccc1OCCCN(C)C(C)C 27414150 SLSMYFRHDVRAMZ-LVZFUZTISA-N 329.528 5.945 0 1 EKAF CC[C@@H](C)Nc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 34020699 KKBIISQAEISTLA-CYBMUJFWSA-N 333.391 5.379 0 1 EKAF CCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95588309 GXKAWSAMYCHECJ-BWAGFHJFSA-N 327.512 5.871 0 1 EKAF Cc1ccc([C@H](CC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 196298436 BMMZIZGKUNFTPA-NRFANRHFSA-N 339.438 5.881 0 1 EKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]12)[C@@]4(C)C3 238777460 WYLVTNMKAPOYHN-HEEHBEPISA-N 330.512 5.208 0 1 EKAF Cc1ccc2c3c(cc(-c4ccccc4N)nc13)-c1ccccc1C2=O 586995946 KYKNITCSCUPYNN-UHFFFAOYSA-N 336.394 5.004 0 1 EKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587026850 YZGAPRUXUFABRD-RMKNXTFCSA-N 330.412 5.026 0 1 EKAF Fc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149243 JAPHTKDMALRWIO-IBGZPJMESA-N 335.357 5.043 0 1 EKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCC4)nc3cccc1c23 587208203 RLKMZSIGIKHEQY-UHFFFAOYSA-N 347.417 5.602 0 1 EKAF CC(C)(C)[C@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512604 ZPTVILSEGNMSSA-HSZRJFAPSA-N 349.474 5.054 0 1 EKAF Cc1ccc([C@@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587527406 VCJPYZMTHSIGPQ-XUZZJYLKSA-N 346.470 5.546 0 1 EKAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628200 JANTUOOTBVMAAU-UHFFFAOYSA-N 338.165 5.067 0 1 EKAF CCCCc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632097 FQXDJSAVYDBVMQ-UHFFFAOYSA-N 346.243 6.079 0 1 EKAF COc1ccc([C@@H](C)CCN2CCC(Cc3ccccc3)CC2)cc1 1772587292 IQQJEGSNCBIROM-IBGZPJMESA-N 337.507 5.144 0 1 EKAF CCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356330502 LBGCQMWKTKHISP-WRKHRYLDSA-N 332.528 5.741 0 1 EKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCC(=O)OC 32175784 ABGHYAFHPINIHF-FFTKBTNWSA-N 346.555 7.085 0 1 EKAF O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc2ccc(O)cc12 71335102 SALIMPNYBBNRBC-UHFFFAOYSA-N 347.201 5.496 0 1 EKAF Brc1ccc2c(c1)Sc1cnc3ccccc3c1N2 98083110 NRZZSQTVNDKIAV-UHFFFAOYSA-N 329.222 5.206 0 1 EKAF CN1CCc2cc(F)ccc2[C@H]1c1sc2ccccc2c1Cl 144711867 QQEUIEJADLARJX-KRWDZBQOSA-N 331.843 5.271 0 1 EKAF OCc1ccccc1-c1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 586895021 LDRZTZNIOPCERY-UHFFFAOYSA-N 334.806 5.043 0 1 EKAF CSc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073627 KGFQSZQHVPPSNP-UHFFFAOYSA-N 328.868 5.213 0 1 EKAF Cc1ccc2c3c(cc([C@H]4C[C@H]5C=C[C@@H]4C5)nc13)-c1ccccc1C2=O 587099507 LJMUXGOXURXVHC-KHYOSLBOSA-N 337.422 5.434 0 1 EKAF Cc1ccc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc1F 587146183 CKPPXKSJZGYLGZ-SNAWJCMRSA-N 349.178 5.082 0 1 EKAF CCc1ccc2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587207133 IETLPYZWBBCVBY-UHFFFAOYSA-N 347.417 5.580 0 1 EKAF O=C(Cc1c(Cl)cccc1Cl)c1coc2ccc(Cl)cc12 587278190 IIRJJIYCBYJQFH-UHFFFAOYSA-N 339.605 5.818 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1C1CCCCC1)O2 587408563 PMZGMMLJVZJLEP-UTKZUKDTSA-N 327.468 5.052 0 1 EKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1C1CCCCC1)O2 587408564 PMZGMMLJVZJLEP-UWJYYQICSA-N 327.468 5.052 0 1 EKAF O=C1C[C@H](c2cc3ccccc3s2)Oc2c1ccc1c2CCCC1 587536377 VNVFUYDCYBJGHT-GOSISDBHSA-N 334.440 5.487 0 1 EKAF c1ccc(-c2cccc3c2C(C2CCCC2)(C2CCCC2)NCC3)cc1 962668700 XLLPEVQXECIACC-UHFFFAOYSA-N 345.530 6.075 0 1 EKAF C=CC(C)=CC=C[C@](C)(C[C@H](C=C(C)C)OC(=O)C(C)=CC)OC 2356645165 HMWSUTVUCYCWMI-PZJWPPBQSA-N 332.484 5.314 0 1 EKAF CC(=C/C(=O)O)/C=C/C=C(\C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 8656248 JMPZTWDLOGTBPM-YFXOPTIWSA-N 340.507 6.272 0 1 EKAF investigational CC[C@]1(c2cccc(Cl)c2)Oc2ccccc2-n2cccc2C1=O 13675299 KOADPFCSOUEJBY-HXUWFJFHSA-N 337.806 5.011 0 1 EKAF CCC[C@H](O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727190 QAGWRXTZANBLKN-SFHVURJKSA-N 336.435 5.129 0 1 EKAF C/C(=C\c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 13832718 NUSIBKZXKHKYDB-JQIJEIRASA-N 348.486 6.294 0 1 EKAF O=C(O)CCCCCCCCC/C=C/C=C/[C@@H](O)CC1CCCC1 26578661 NJGNZPNARXXPQG-GQWDVBHLSA-N 336.516 5.636 0 1 EKAF FCC(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28219439 DZLINHSYSBHLRA-UHFFFAOYSA-N 334.366 5.398 0 1 EKAF Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1 29206608 DULVPZIJYDYWFN-UHFFFAOYSA-N 338.410 5.079 0 1 EKAF Cc1ccc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)o1 82161136 TVUOKKSGIQCXSX-UHFFFAOYSA-N 341.414 5.324 0 1 EKAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 101321621 QUFRNANIXKUCID-HEWBKKIPSA-N 348.527 5.347 0 1 EKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Cl)c(C)c2[nH]1 586878421 HKDQDKJHUDQWTQ-UHFFFAOYSA-N 332.834 6.167 0 1 EKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587028544 REKNWOQCIRVEQL-UHFFFAOYSA-N 336.464 5.287 0 1 EKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2n1 587053485 DKXYGDHSGOQUEE-YFHOEESVSA-N 346.261 5.733 0 1 EKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(C)(C)C)cc2[nH]1 587155622 MZSZBWWBYVMQCY-QGZVFWFLSA-N 326.415 5.530 0 1 EKAF CCCCC/C=C\Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587207500 LVGHOABBENRCDS-SREVYHEPSA-N 341.454 6.125 0 1 EKAF O=C(CCc1ccccc1Br)c1coc2ccccc12 587280529 JHWKYIYARLKHJH-UHFFFAOYSA-N 329.193 5.011 0 1 EKAF CCc1ccc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524085 NDVDYFKJFWLFDO-DEOSSOPVSA-N 348.486 5.645 0 1 EKAF C[C@@H](CCc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527452 WHQBFMPDTUZHTH-KSFYIVLOSA-N 334.459 5.168 0 1 EKAF CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2cccc(F)c12 587632043 BOAFCLNIHVQWHR-UHFFFAOYSA-N 346.243 5.997 0 1 EKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCC2)N1 587819896 WXICKQYCZNGHHY-LBPRGKRZSA-N 340.280 5.062 0 1 EKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587932196 VNRBTGOFCQRRPQ-KPZWWZAWSA-N 347.245 5.324 0 1 EKAF Cc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 587949943 OHKXYOITFJJFEK-OWBHPGMISA-N 327.387 5.229 0 1 EKAF COc1ccc(Nc2cc3sc(C)c(C)c3cc2C)cc1OC 28392803 GDZNBPNRPGGQBG-UHFFFAOYSA-N 327.449 5.587 0 1 EKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](CNC)C[C@@H]21 28769915 AMGLDKXMJVOFFO-RCCFBDPRSA-N 345.527 5.015 0 1 EKAF Clc1ccccc1C[C@@H](Cn1ccnc1)c1ccccc1Cl 33493862 ROYMKTHABIZOKQ-HNNXBMFYSA-N 331.246 5.216 0 1 EKAF c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4ccccc4c3)C2)cc1 35942082 WCVWWGMNEYDXSB-RUZDIDTESA-N 348.449 6.196 0 1 EKAF Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)c(Cl)c21 36350457 ONAQPZSPGDDIDY-UHFFFAOYSA-N 343.810 5.448 0 1 EKAF CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C=CN1c1ccccc1 52566328 LIJDRNAIBIRCOF-FQEVSTJZSA-N 347.458 5.420 0 1 EKAF CC(=O)c1c(Nc2ccccc2)nc2c(Cl)c(Cl)ccc2c1O 84604436 TWXIMJAWZLIOIS-UHFFFAOYSA-N 347.201 5.193 0 1 EKAF C[C@]12CC[C@H]3[C@@H](C=C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 96271877 WTJUBXLYTGHLNL-LDBGNEBASA-N 349.518 5.255 0 1 EKAF Cc1ccc2cc([C@@H]3CC(c4ccc(C)s4)=NN3)c(Cl)nc2c1 103213692 MVRCLTUMRVFKIL-HNNXBMFYSA-N 341.867 5.005 0 1 EKAF CC(=O)Oc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C 238747649 RLSZLHWSJHPNCK-RBBKRZOGSA-N 342.479 5.406 0 1 EKAF Fc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082742 DTMKEUNLDDMROZ-UHFFFAOYSA-N 332.165 5.224 0 1 EKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Br)cc1 587623459 HVFIKRTYERUBKP-UHFFFAOYSA-N 334.644 5.868 0 1 EKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(C1CCCCC1)C1CCC1 963112267 XGHRWLDFGJTPTE-UNMCSNQZSA-N 327.487 5.422 0 1 EKAF c1ccc(-c2ccc(O[C@@H](c3ccccc3)C3CCNCC3)cc2)cc1 13530878 VELBKSJBDNPDMZ-DEOSSOPVSA-N 343.470 5.473 0 1 EKAF C/C(=C\Cc1cc(O)c(C)cc1O)CC/C=C(\C)C[C@@H](O)CC(C)C 14593874 JUHGRLPYQZPVAA-NYVZZTIHSA-N 346.511 5.419 0 1 EKAF Cc1c(-c2cccc(O)c2)n(Cc2ccccc2)c2ccc(O)cc12 28766997 JWHBIXGFRIDAPD-UHFFFAOYSA-N 329.399 5.076 0 1 EKAF CCCOc1ccc([C@@](C)(O)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc1 49111250 LMPYMKPKXJBEDP-NHURVDBJSA-N 328.496 5.622 0 1 EKAF CNC(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1 60222810 JNWJYLOJXYRESX-UHFFFAOYSA-N 325.349 5.025 0 1 EKAF CC(C)c1ccc(NCc2coc(-c3cccc4ccccc34)n2)cc1 72183916 XLNSUOFVWWRXOJ-UHFFFAOYSA-N 342.442 6.230 0 1 EKAF C=C/C(C)=C/C[C@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@]12C 95909205 VJDJSELBAMIXHE-YWJOTBCWSA-N 330.512 5.851 0 1 EKAF biogenic,in-vitro CC(C)S[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473110530 WRRZNYKYGMXVLR-GOSISDBHSA-N 344.867 5.213 0 1 EKAF Cc1ccc(C)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587015333 ACUOQIJDQFJCNB-UHFFFAOYSA-N 339.851 5.624 0 1 EKAF COc1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016414 VMGRLQWQNJPNSR-UHFFFAOYSA-N 341.823 5.015 0 1 EKAF C(=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1)\c1ccsc1 587025732 NQCXQMXJHMNJHH-TWGQIWQCSA-N 334.469 5.946 0 1 EKAF CSc1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587056010 YFSQLPJQFLFGKA-VMPITWQZSA-N 335.259 5.762 0 1 EKAF COc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587073318 BMLNXIZIZFXFOP-UHFFFAOYSA-N 348.833 5.867 0 1 EKAF Cc1ccc2c3c(c(Cc4ccccc4)cnc13)-c1ccccc1C2=O 587100020 DGZWOHRZGRBUPF-UHFFFAOYSA-N 335.406 5.345 0 1 EKAF Cc1cc(Br)c2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1 587149654 OYRKNLIXFVPQQM-HYXAFXHYSA-N 349.178 5.082 0 1 EKAF Cc1cc(Cl)ccc1OCCCC(=O)c1coc2ccccc12 587281055 RNKXKXYRSZFIDD-UHFFFAOYSA-N 328.795 5.437 0 1 EKAF CC[C@@]1([C@@H](C)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524636 PKYXJJOLXQQRDP-HJPURHCSSA-N 334.459 5.483 0 1 EKAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2c(C)cc(Cl)cc12 587624597 NTPXLPSDRKQYRJ-UHFFFAOYSA-N 331.774 5.113 0 1 EKAF CCCC[C@H](CC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818238 HAAZVKXCACVLFN-PEBVRCNWSA-N 342.296 5.380 0 1 EKAF Cc1ccc(-c2csc([C@@H](C)Cn3cc(Cl)cn3)n2)cc1C 587921105 SOTSXZADISLLJM-ZDUSSCGKSA-N 331.872 5.081 0 1 EKAF CCCCOc1cc2nc(C=C3CCC3)[nH]c2cc1Br 587964613 DVNQAWBLCJMOKR-UHFFFAOYSA-N 335.245 5.072 0 1 EKAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@]12C 2356620053 CZUWIMDOXXXJRE-GPQLQYNLSA-N 348.527 5.046 0 1 EKAF CCOC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356679908 LYYQEUOQFQMYRP-BWAGFHJFSA-N 344.495 5.053 0 1 EKAF Cc1cc(C=C2CCCN=C2C(=O)O)c2c(C)ccc(C(C)C)cc1-2 2356795622 MHUPSXGASGKSCU-UHFFFAOYSA-N 335.447 5.234 0 1 EKAF Cc1ccc(C)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc12 17723 NMDQLQUCDVIJQE-UHFFFAOYSA-N 341.410 5.817 0 1 EKAF C[C@H](CCCCCc1sccc1CCCc1ccccc1)C(=O)O 13726658 OWOZZOGNCPJVLM-QGZVFWFLSA-N 344.520 5.747 0 1 EKAF Cn1c2c(c3ccccc31)[C@H]1CC[C@@H](C2)N1CCCCc1ccccc1 27105453 WSPJJPNQUVUIAC-SIKLNZKXSA-N 344.502 5.263 0 1 EKAF CCC[C@H](C)COC(=O)c1cc(C)cc(C(=O)OC[C@@H](C)CCC)c1 40874916 XLMZWFMWCSPEPP-HOTGVXAUSA-N 348.483 5.181 0 1 EKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(C3CCCC3)on1)O2 72113661 GDPIGYVLDVIRMP-NRFANRHFSA-N 341.451 5.203 0 1 EKAF O=C(O)C[C@@H](c1cccc(-c2ccccc2Cl)c1)c1nccs1 221096446 IBHRFUKKTZYPQU-HNNXBMFYSA-N 343.835 5.070 0 1 EKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)cccc3[nH]2)cc1 586879724 QBKUIYHBIAWZQN-UHFFFAOYSA-N 346.361 5.043 0 1 EKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586891484 RFOVFLNPKLKRQJ-RNCFNFMXSA-N 336.279 5.504 0 1 EKAF CC(C)(C)c1cccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896690 JDVIMGFZXUHJGK-UHFFFAOYSA-N 342.442 5.900 0 1 EKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(Cl)c(C)c2[nH]1 587066417 NCJLCDVJLZJYQD-UHFFFAOYSA-N 349.261 5.498 0 1 EKAF 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