smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(CN2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)cc1 20028628 KTTNMWGHZKLLIN-MDZDMXLPSA-N 386.442 4.111 30 50 GIEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)O 252693331 CJQNBXFUHQZFOE-WYIZHRONSA-N 388.504 4.295 30 50 GIEA biogenic Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2/C(O)=N/CC1(c2ccc(Cl)cc2)CC1 328749676 QCWJFSYSMTXUOO-QNBRMCRTSA-N 398.938 4.430 30 50 GIEA COC(=O)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 703879 NJEDNKKYPKQZPN-UHFFFAOYSA-N 386.407 4.029 30 50 GIEA Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1O 1240576 CERZKKCJQMHQHE-GIJQJNRQSA-N 389.278 4.266 30 50 GIEA COc1ccc([C@@H](CC(=O)c2ccccc2)C(Br)(C#N)C#N)cc1 3073456 ZRSKQGYWJRYAPO-QGZVFWFLSA-N 383.245 4.233 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 4312709 MPXMEVUGBLJMQN-QFIPXVFZSA-N 398.462 4.477 30 50 GIEA N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1 19337662 NMMXISCONYJVAK-UHFFFAOYSA-N 394.843 4.296 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1 170615362 WZGTXRLXEMMMBX-IFMALSPDSA-N 380.440 4.023 30 50 GIEA C=CCn1c(SCc2ccc3c(c2)OCO3)nc2sc(C)c(C)c2c1=O 628194 YGNSDCWEZOKEIJ-UHFFFAOYSA-N 386.498 4.282 30 50 GIEA Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(Cl)c1C(F)(F)F 2780453 YIVZKTXRPMPATC-UHFFFAOYSA-N 388.802 4.157 30 50 GIEA Cc1ccc(-c2nnc(S)n2/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1 6054238 NYFOBOBWRDHYHW-LPYMAVHISA-N 388.500 4.227 30 50 GIEA Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc(F)c1 12373502 RPRVXDPWIPKEBA-HNNXBMFYSA-N 397.519 4.355 30 50 GIEA CCN(C(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1)c1ccccc1 96135657 FLNOEPMNGMZEOA-QGZVFWFLSA-N 376.460 4.121 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)cc1OC 4914413 IFNONTKKZKGTJL-FUHWJXTLSA-N 391.467 4.017 30 50 GIEA CC[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C#N)C1 1056015 RDKLUXSLRSOVCZ-NSHDSACASA-N 385.445 4.304 30 50 GIEA C=CCOc1cccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1 227143121 XZAOMLMJRGWYHC-UHFFFAOYSA-N 388.456 4.041 30 50 GIEA C=CCOc1ccc(Br)c(/C=N/NC(=S)NC2CCCCC2)c1 4210192 HEMVMFKHTURHCD-XDHOZWIPSA-N 396.354 4.145 30 50 GIEA C=CCC1(CC=C)CCCN1C(=O)c1cc(Cn2cnc3ccccc32)on1 12194415 MNPNVUNUTMATEZ-UHFFFAOYSA-N 376.460 4.200 30 50 GIEA CC(=O)N(C1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 12379338 MWARYLTTYIWUDE-UHFFFAOYSA-N 382.419 4.442 30 50 GIEA N#Cc1cccnc1N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67755862 GEZFOLZVAIEXTH-UHFFFAOYSA-N 377.831 4.378 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 244811774 SKZAEPYYNKXXRD-ZRBLBEILSA-N 381.447 4.224 30 50 GIEA CCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)cc1)C/C3=N\O 2084329460 IQYFDOBCLCCIJJ-CSUZIONRSA-N 379.412 4.375 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 836134 HYZRLDXTXDLEPO-INIZCTEOSA-N 390.208 4.077 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 2055200 RZAWYJUFSGEUHV-OAQYLSRUSA-N 383.488 4.395 30 50 GIEA COc1ccccc1N1CCN(/N=C(\C)c2cccc(Br)c2)CC1 5032482 ZPQKTDFLUIBTOD-RCCKNPSSSA-N 388.309 4.004 30 50 GIEA C=CC[C@@]1(C(=O)N(C)Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C 225623521 ZSPSGCZYVLISST-FQEVSTJZSA-N 393.915 4.039 30 50 GIEA C=C(C)C(=O)Oc1c(Br)cc(Br)cc1Br 2555307 HAYWJKBZHDIUPU-UHFFFAOYSA-N 398.876 4.456 30 50 GIEA N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(c3cccc4cnccc34)CC2)cc1 370043417 RGHREVFHWRQWKW-JOCHJYFZSA-N 394.478 4.195 30 50 GIEA N#Cc1c(NC(=O)c2cnn3c(-c4ccco4)ccnc23)sc2c1CCCC2 13644599 QJSDVVGUCQZEGJ-UHFFFAOYSA-N 389.440 4.054 30 50 GIEA CCOc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 4063184 LUUNKBKVVOPXIS-UHFFFAOYSA-N 376.456 4.274 30 50 GIEA CC(C)c1noc([C@@]23CCC[C@@H]2CN([C@H](C)C(O)=Nc2cccc(C#N)c2)C3)n1 328605471 NWTAMBGMUGKCHM-ZDPZECHZSA-N 393.491 4.095 30 50 GIEA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=S)NC3CCCCC3)cc2)c1 2543226 IVCZYWOMUFJDIW-HZHRSRAPSA-N 395.528 4.345 30 50 GIEA C[C@@H]1C[C@@H]1c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875252285 HHYAEGJDKPRFSF-WXHSDQCUSA-N 393.468 4.482 30 50 GIEA CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1)c1cccc2ccccc12 1875253452 HGAIMUKGOCTXEZ-YTFSRNRJSA-N 398.462 4.236 30 50 GIEA Cc1cccc(-n2nnnc2C2(/N=C/c3cccc([N+](=O)[O-])c3)CCCCC2)c1 4474734 AGWPBQMUURZHEF-PXLXIMEGSA-N 390.447 4.157 30 50 GIEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 1155856 ASNATXTYGJKODD-HYARGMPZSA-N 382.485 4.155 30 50 GIEA Fc1ccc(/C=N/n2c(S)nnc2-c2ccc(Br)cc2)cc1 6863162 AFZKJUVYJIUTLO-GIJQJNRQSA-N 377.242 4.018 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 9013383 YLSIJWSBEYKASE-LJQANCHMSA-N 383.419 4.213 30 50 GIEA N#Cc1ccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)cc1 20639150 QZDCBJPCVSBCEF-OWOJBTEDSA-N 392.352 4.252 30 50 GIEA N#Cc1c(Br)c(F)c(Br)c(F)c1Br 222960581 AQPZRWDNSAKHNA-UHFFFAOYSA-N 375.792 4.124 30 50 GIEA COC(=O)c1ccc(N=C(O)C(O)=Nc2cc(-c3ccccc3C)[nH]n2)cc1C 328596645 KPTFVSYMYRGABL-UHFFFAOYSA-N 392.415 4.356 30 50 GIEA N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1N1CCN(c2ccccc2)CC1 1775976553 RUIUJWOIYUWEDX-PMACEKPBSA-N 388.446 4.283 30 50 GIEA C/C(=N\Nc1ccc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 1875253974 LXKQAJKZWKAMIH-LPYMAVHISA-N 392.371 4.316 30 50 GIEA O=C(O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 12652590 ZUQORNFFLPDYLV-NRFANRHFSA-N 396.468 4.120 30 50 GIEA CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 1117334 MOINVYZUWKEWSJ-AWEZNQCLSA-N 387.530 4.144 30 50 GIEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(O)c(O)c1 4648397 YUOJGHZSNWJZJN-TZIWHRDSSA-N 387.435 4.140 30 50 GIEA O=C(/C=C/c1cc(Br)cc2c1OCOC2)c1cc(F)ccc1O 4772639 IIDDKBUOXVHKMY-HNQUOIGGSA-N 379.181 4.056 30 50 GIEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 217994840 QBLWIUDOMVUYBN-ISRVBRPNSA-N 399.402 4.147 30 50 GIEA biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@@]5(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 1857526829 DQUBYFKUBFHVEG-BEDIVJQWSA-N 387.520 4.479 30 50 GIEA COc1cc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)ccc1OC(C)=O 2840822 LFMMCHBASVURKJ-UHFFFAOYSA-N 378.428 4.208 30 50 GIEA CCNC(=S)N/N=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 2970618 UWWXCLOZOOIRTA-ZVHZXABRSA-N 393.512 4.245 30 50 GIEA O=[N+]([O-])c1ccc(-c2cnc(N/N=C/c3ccc(Br)cc3)nc2)cc1 4947310 SJGWNTJXPCRXCW-ZVBGSRNCSA-N 398.220 4.260 30 50 GIEA Cc1csc(C2(/N=C(/O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)CCC2)n1 329318022 SRBBWUCOYSUTBI-MRXNPFEDSA-N 383.517 4.457 30 50 GIEA CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N 170617032 NQYINTMXXFMPSJ-IIBYNOLFSA-N 380.492 4.158 30 50 GIEA N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCCC2 779454 CEHZPXULSNRIGE-CHWSQXEVSA-N 378.881 4.061 30 50 GIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 6819601 UJZQEUKOFFUNCE-QFBILLFUSA-N 391.467 4.098 30 50 GIEA COc1ccc([C@H]2CC(=O)c3cc(C#N)c4nc5ccccc5n4c3C2)cc1OC 170624017 JRBOYUFXWMAXRO-OAHLLOKOSA-N 397.434 4.289 30 50 GIEA CC(C)(C)c1ccc(-c2nnc(S)n2/N=C/c2ccc(C(=O)O)cc2)cc1 5669425 RDLNDXWMBKOPFF-CIAFOILYSA-N 380.473 4.112 30 50 GIEA C=C(C)CNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 11661321 FUMAQGGZCBKWCP-UHFFFAOYSA-N 376.928 4.432 30 50 GIEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1nccs1 328607366 VXPKHQDEFCAMEA-DEYYWGMASA-N 398.488 4.133 30 50 GIEA CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 720600 GKGGAOKMVQETBZ-UHFFFAOYSA-N 384.501 4.477 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 726957 QTZUMIOBKQFPQL-UHFFFAOYSA-N 396.537 4.498 30 50 GIEA O=[N+]([O-])c1ccc(/N=C2\N/C(=N/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 6258223 KTSBSQNFWXPCSN-UHFFFAOYSA-N 387.355 4.263 30 50 GIEA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253531305 IMHWUDTYEQIITA-DNEFKTCDSA-N 380.532 4.306 30 50 GIEA C=CCn1c(CN(C)C/C(C)=C/c2ccccc2)nnc1SC[C@@H]1CCCO1 12331245 FEQAGQKCTNPSME-GJPUVDBCSA-N 398.576 4.271 30 50 GIEA COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 19731627 VAXDNBUBOMOOGK-OAQYLSRUSA-N 381.472 4.149 30 50 GIEA N#Cc1cc(F)c(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 129350837 OXXHIWJCQRIKGH-MRXNPFEDSA-N 378.325 4.245 30 50 GIEA C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccn1C 239386698 QAZWGEOVYIBBCB-BEFAXECRSA-N 396.560 4.391 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 4312675 SVTIPFDBKWKWLY-NRFANRHFSA-N 384.435 4.481 30 50 GIEA C=CCN(CCSc1ccccc1)C(=O)c1c[nH]c2ccc(C)cc2c1=O 55074140 IOVWWWMDDCLOLB-UHFFFAOYSA-N 378.497 4.257 30 50 GIEA C=CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 2087058 KKOJOXQSQGVDJY-GOSISDBHSA-N 378.457 4.328 30 50 GIEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(Cl)cc21 169746297 JFNOJLRXOALBQW-UHFFFAOYSA-N 377.677 4.377 30 50 GIEA in-vitro C=C(C)CN1CCN(c2cc(CCC)nc3c(-c4ccccc4)c(C)nn23)CC1 5388539 UWBSKIQFIVDGQE-UHFFFAOYSA-N 389.547 4.355 30 50 GIEA CN(c1cc(C#N)c2cc(Cl)ccc2n1)C1CCN(c2ccncc2)CC1 2325721422 PBTFXEFWMFQHLY-UHFFFAOYSA-N 377.879 4.260 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1Cl 25695123 UXDAKVIHQFKNHR-KRWDZBQOSA-N 389.879 4.126 30 50 GIEA COC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 100045747 MTPAEVBJFREPLP-WHFBIAKZSA-N 377.442 4.071 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1cccc(F)c1 253430016 VIULFGUCPJRUQF-KNQAVFIVSA-N 398.430 4.162 30 50 GIEA CC1(C)OB([C@]23CCN(C(=O)c4ccc(OC5CCC5)cc4)C[C@H]2C3)OC1(C)C 1875368643 HSURYMJXZQMLKZ-HXOBKFHXSA-N 397.324 4.316 30 50 GIEA N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)C1CCN2CC1 664861 POSSWFZBBZCNKG-UHFFFAOYSA-N 384.892 4.035 30 50 GIEA FC(F)c1nnc(S)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 2791356 JQFCRAPJWMPXLQ-FBCYGCLPSA-N 384.795 4.212 30 50 GIEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(OC(C)C)cc1 217883719 NIVWQTUPEDHCJD-GOSISDBHSA-N 394.423 4.012 30 50 GIEA biogenic CC(C)(C)OC(=O)N1CCC(C#N)(Nc2ccc(Br)cc2)CC1 300804065 GAHAORRDBVBAPJ-UHFFFAOYSA-N 380.286 4.154 30 50 GIEA C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12430972 FTMLPWDRGVEZQG-OAQYLSRUSA-N 378.472 4.258 30 50 GIEA N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@H]21 245247582 WOZFVLCMTANHQB-UNMCSNQZSA-N 387.443 4.238 30 50 GIEA CC(O)=Nc1ccc(NC(=O)[C@@H](Cc2cnc[nH]2)/N=C(/O)C2CCCCC2)cc1 328590031 XEDKIZZNIFNXGM-LJQANCHMSA-N 397.479 4.104 30 50 GIEA CCOC(=O)c1noc(C)c1CSc1nc(C(F)(F)F)cc(C)c1C#N 13641034 UGXOQMSQQIIZRB-UHFFFAOYSA-N 385.367 4.046 30 50 GIEA C#Cc1ccc(CN(C)CC2CCN(CCc3ccc(OC)cc3)CC2)cc1 12583522 LYMPNKFMFOGLIT-UHFFFAOYSA-N 376.544 4.063 30 50 GIEA CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 1422752 FQAZNATURBBJGG-CYBMUJFWSA-N 381.303 4.429 30 50 GIEA C=CCNC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc(C)cc1 4627891 RGGOHDIBHNHVNI-UHFFFAOYSA-N 379.485 4.390 30 50 GIEA CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1C 4819423 UMDPJSAUTBTAAE-UHFFFAOYSA-N 388.467 4.125 30 50 GIEA Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1c(F)cccc1Cl 20291925 OLVYLCITEQCBHU-MRVPVSSYSA-N 386.839 4.325 30 50 GIEA CCC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 721276 MRIOQTCQPZYNLZ-UHFFFAOYSA-N 387.349 4.250 30 50 GIEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 6819512 BPDGWADBFUGIRH-YOEHRIQHSA-N 381.859 4.353 30 50 GIEA CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 5457907 GGUYJKLVHMBDRN-AUWJEWJLSA-N 381.240 4.360 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 6780796 XCMAMNLOQUXQIG-QGZVFWFLSA-N 398.802 4.013 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnc(-c5ccncc5)s4)C[C@H]2C3)OC1(C)C 1776003050 SITAYYXEQACQDL-IERDGZPVSA-N 397.353 4.263 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 4844486 CEQZRSKXBIDCRV-NRFANRHFSA-N 392.499 4.439 30 50 GIEA N#Cc1cccnc1N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 95526138 VZELDPATHMINRL-LJQANCHMSA-N 396.494 4.267 30 50 GIEA N#Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 177581608 PIFYZRQWPKREAV-UHFFFAOYSA-N 375.190 4.442 30 50 GIEA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(F)c(C#N)c3Cl)C[C@@H]21 252527840 DMEYGMPQWUWJKV-ISTRZQFTSA-N 393.890 4.086 30 50 GIEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1 253414232 WVZVPOQLIAJSRX-BEWREHSGSA-N 388.375 4.345 30 50 GIEA biogenic CCOc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 2226109 GDXVAUGMGZNBCY-XCHVBMRISA-N 395.444 4.088 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 4312456 LZDRGXYJOLPOBX-LJQANCHMSA-N 390.464 4.230 30 50 GIEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 5578620 UAAUVEPGSUKWNF-QFIPXVFZSA-N 399.446 4.474 30 50 GIEA O=C1/C(=N\N=c2/[nH]c3ccccc3s2)c2ccccc2N1Cc1ccccc1 5683127 WZFHGNKUKIFTOF-GFMRDNFCSA-N 384.464 4.081 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 6819705 UENDKUZODGGNTQ-CRAIPNDOSA-N 381.859 4.353 30 50 GIEA CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O 14252145 AALSSIXXBDPENJ-FYWRMAATSA-N 378.465 4.111 30 50 GIEA in-vitro O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)C(F)F 2684870 RFVWCCKQQKYQDJ-UHFFFAOYSA-N 395.252 4.149 30 50 GIEA C=CCOc1ccccc1/C=C1\N=C(c2ccccc2Br)OC1=O 2850056 FBIUWLLLOZYZKH-VBKFSLOCSA-N 384.229 4.358 30 50 GIEA CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 9483152 ADCMEUSBLCUWQA-QHCPKHFHSA-N 389.499 4.049 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1ccc(F)cc1 225509869 JNWOJHMVINNLNO-UGKGYDQZSA-N 398.430 4.162 30 50 GIEA Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](CNc2ccc(C#N)nc2)C1 1875338830 NIHVQBZZFJQCNO-MOPGFXCFSA-N 376.504 4.106 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2(C)C)[C@@H]1c1ccc(Cl)cc1Cl 626941 BTVNCADPBZSMCE-ZDUSSCGKSA-N 396.270 4.094 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(F)cc1 1140714 AQHGLSXKQGUMLC-UHFFFAOYSA-N 398.463 4.010 30 50 GIEA Cc1ccc(CN2CCN(N=Cc3ccccc3Br)CC2)c(C)c1 2210996 KVAKOWLLYFGQFQ-UHFFFAOYSA-N 386.337 4.218 30 50 GIEA COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1OCc1ccccc1 3307906 MVTPAOZCUAJINF-HZHRSRAPSA-N 397.544 4.405 30 50 GIEA N#Cc1c(N)c(C(=O)c2ccccc2)n(-c2ccccc2)c1CN1CCCCC1 5589557 FTBZVHUVZKOBNZ-UHFFFAOYSA-N 384.483 4.148 30 50 GIEA COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1 1137901 QONWIGVXBDJUHW-HZHRSRAPSA-N 396.512 4.458 30 50 GIEA Clc1ccc(N2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 1740179 KIGBNWZCSQCRCT-DEDYPNTBSA-N 378.701 4.259 30 50 GIEA COc1cc(OC)c(C(=O)/C=C/c2cc(Br)ccc2O)c(OC)c1 4252504 BHAFIADAKPBPQC-GQCTYLIASA-N 393.233 4.077 30 50 GIEA CC#CCN(Cc1ccco1)Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C 42963202 CYIIPBUNURHBIN-UHFFFAOYSA-N 378.428 4.055 30 50 GIEA CC1CCN(c2ccc(C/N=C(/O)Cc3cnccc3C(F)(F)F)cn2)CC1 328592707 GEXVIAHRZTYQGX-UHFFFAOYSA-N 392.425 4.431 30 50 GIEA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 690038 OUSUFQYKJFBGFT-HXUWFJFHSA-N 382.460 4.494 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1OC 4915375 NKPUSJACIYBNEY-QZTJIDSGSA-N 391.467 4.017 30 50 GIEA COc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccccc2)cc1 55439953 FOWLYWQEJKGHDY-IDHKNCDOSA-N 399.494 4.462 30 50 GIEA Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@@H]3C#N)c2)n1 1875353123 KIKAOJXLFUADIY-KDOFPFPSSA-N 383.883 4.303 30 50 GIEA Clc1ccccc1CN1CCN(/N=C/c2cccc(Br)c2)CC1 19771568 ZXHYQEINBUZJTD-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2cc(C#N)ccn2)C1 95519497 QACHFTSFBWVBTM-OAHLLOKOSA-N 398.894 4.251 30 50 GIEA CCNC(=S)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 2531323 BZTYGHWVDDHIHC-ZVHZXABRSA-N 391.496 4.185 30 50 GIEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4914544 JLWOTHVNHCFGHM-VQIMIIECSA-N 379.431 4.229 30 50 GIEA CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 15074496 BBDOSUAYTWPNGT-UHFFFAOYSA-N 398.510 4.078 30 50 GIEA COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1OC 19773290 QVFWNULZUVGPGS-KOEQRZSOSA-N 389.499 4.009 30 50 GIEA C/C(=N/O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 100436890 CRTJKGVYNGBLGV-MYYYXRDXSA-N 389.455 4.073 30 50 GIEA Cc1cc(C)nc([C@@H](C#N)C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)n1 126351403 IPWKTLCWVGMGPU-IBGZPJMESA-N 385.471 4.038 30 50 GIEA C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)c3ccccc3oc2=O)cc1 218015443 ZTUJWYKXDJUDEW-SFHVURJKSA-N 394.423 4.149 30 50 GIEA biogenic CCN1CCC(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)CC1 584902342 HHPIHVIEVSKVEJ-UHFFFAOYSA-N 375.516 4.338 30 50 GIEA C[C@@H](/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)c1ccccn1 328607306 VJMZENALIMNPJM-LIVBEALHSA-N 380.423 4.202 30 50 GIEA O=C1CCC(C#CC(=O)N2CCCC[C@H]2c2nc(-c3ccccn3)cs2)CC1 2325783574 IRUVWNQGCSVOJP-FQEVSTJZSA-N 393.512 4.021 30 50 GIEA CCCc1cc(N2CCN(C3CCCC3)CC2)n2c(nc3ccccc32)c1C#N 4136203 XLSJMWZSJIRUQS-UHFFFAOYSA-N 387.531 4.376 30 50 GIEA COc1ccc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)cc1OC 15768409 VBHRTYFBLFRBHN-FNORWQNLSA-N 384.384 4.069 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19731794 WOLIPBJXTIJDID-HXUWFJFHSA-N 380.488 4.171 30 50 GIEA C(#Cc1cc(C#Cc2ccncc2)cc(C#Cc2ccncc2)c1)c1ccncc1 34066530 BBEZONFKGMUPNJ-UHFFFAOYSA-N 381.438 4.071 30 50 GIEA C#Cc1cccc(NC(=S)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c1 1875264140 SNZYNMDGVDAWPL-LJQANCHMSA-N 380.904 4.094 30 50 GIEA C=CCN1C(=O)[C@H](Cc2cccc(C)c2)S/C1=N/c1ccc(C(=O)O)cc1 13617445 FXKAWMNMNUOWAV-VEGAHXMMSA-N 380.469 4.053 30 50 GIEA COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O 253413970 WCULQNGNXFVRCK-DISPHTKASA-N 389.363 4.092 30 50 GIEA biogenic COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(F)cc1 408943898 SQZPQFYHVLKFKN-VIZOYTHASA-N 375.783 4.383 30 50 GIEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 1857798949 HEJNZTNLLXBFJZ-OALUTQOASA-N 375.428 4.317 30 50 GIEA Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@H]3C#N)c2)n1 1875353126 KIKAOJXLFUADIY-KSSFIOAISA-N 383.883 4.303 30 50 GIEA COc1ccc(-c2ccc(C#N)c(SCC(=O)OCc3ccccc3)n2)cc1 8323751 VFLDFWJKOOJMFH-UHFFFAOYSA-N 390.464 4.464 30 50 GIEA CC[C@H](Cn1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1)N1CCN(C)CC1 65373930 XMCGHVZEADNPGS-HSZRJFAPSA-N 399.542 4.115 30 50 GIEA C[C@H](/N=C(/O)N1CCOC[C@@H](C2CCC2)C1)c1ccc(OCC2CC2)c(F)c1 330219378 PLNPLOBYCSDQFB-KXBFYZLASA-N 390.499 4.338 30 50 GIEA Cn1cc(/C=C2\C[C@@]3(C)[C@@H](CC[C@@H]4[C@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC2=O)cn1 253505393 MEBTWHFCEXALJM-MFVXZMIISA-N 382.548 4.386 30 50 GIEA N#Cc1ccc(NC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc1 170597681 UDLUVKVRSOHKQA-UHFFFAOYSA-N 396.494 4.188 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1170234 YTHIZUDWNLXOKX-NRFANRHFSA-N 377.400 4.122 30 50 GIEA Cc1cc(Br)c2c(c1)/C(=N/Nc1cccc3cccnc13)C(=O)N2 13575670 VFNKYORGRQORAW-UHFFFAOYSA-N 381.233 4.074 30 50 GIEA C=CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(CC)C3)cn1 92003289 NAELDGQXDKGMQY-HSZRJFAPSA-N 378.564 4.161 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(F)cc1 225512909 GFBQCIOHXXOYFL-RBBKRZOGSA-N 381.447 4.211 30 50 GIEA C[C@H](O)c1cc(N=C(O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)ccc1F 328592887 AZJKFEWDGHJQJV-JTQLQIEISA-N 394.328 4.115 30 50 GIEA C=CC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1857780525 NXJMIVOLXMTTKS-UHFFFAOYSA-N 377.440 4.288 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1OC 4915385 NKPUSJACIYBNEY-ZWKOTPCHSA-N 391.467 4.017 30 50 GIEA C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95681814 QJEJDNMGOWJONG-UHFFFAOYSA-N 386.132 4.157 30 50 GIEA COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 218074739 PNTPNCKPWMLVHD-NHDPSOOVSA-N 387.391 4.063 30 50 GIEA biogenic O=C(O)c1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 252429308 BGVOSNVQWAJEBO-UHFFFAOYSA-N 397.478 4.106 30 50 GIEA Cc1nc(C#N)c(N2CCC(c3nnc(-c4ccc(Cl)cc4F)o3)CC2)o1 1322501361 QPNPIMFSDYLIJQ-UHFFFAOYSA-N 387.802 4.081 30 50 GIEA N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2 880792657 GFMCPOUBFSTUTJ-WMZOPIPTSA-N 392.484 4.034 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(C)sc1SC 1151982 AFYMFCXXEYEWED-MRXNPFEDSA-N 377.531 4.309 30 50 GIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1OC 4512753 ZPRZSRNGXLUULW-UHFFFAOYSA-N 378.432 4.274 30 50 GIEA CCCCc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(C)cc2)cc1 17081090 FTVVKQAONWGKPE-HAHDFKILSA-N 396.516 4.040 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)cc(OC)c1 241338540 MBNFAKWBDNWBIJ-JTHBVZDNSA-N 394.467 4.332 30 50 GIEA CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1Cl 1184963 YUOLDOFUDLUWQJ-NUGSKGIGSA-N 391.258 4.445 30 50 GIEA N#Cc1c(C(F)(F)F)cc(C23CC4CC(CC(C4)C2)C3)nc1SCC(N)=O 4075020 RFBFNUBYSSWMJD-UHFFFAOYSA-N 395.450 4.017 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccco1 13548841 RQEMWNMZBGZYLN-SFHVURJKSA-N 394.814 4.107 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccco1 1117624 JHESHQGJKDGYKA-QGZVFWFLSA-N 383.787 4.305 30 50 GIEA COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@H]2C(C)=O)cc1 1253252 VVHLLIDVSGDNCN-TZRRMPRUSA-N 393.483 4.094 30 50 GIEA C=CCc1ccccc1OCCOc1cccc(/C=C2\SC(=N)NC2=O)c1 5102676 ASRZADDRGNRZKD-RGEXLXHISA-N 380.469 4.012 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccsc1 19925552 VEIIRROROXNMAY-SCLBCKFNSA-N 385.510 4.344 30 50 GIEA COc1ccc(NC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)cc1 6405643 CZXGPSPVWHNCGL-UHFFFAOYSA-N 384.741 4.363 30 50 GIEA Cc1ccc(C[C@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 13583184 UNECMZKCHQMYMT-OAHLLOKOSA-N 375.291 4.219 30 50 GIEA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3C#N)nc2)C1 67920535 YSSLLAVNSCBWKN-LJQANCHMSA-N 375.472 4.088 30 50 GIEA C/C(=N\NC(N)=S)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253499392 GAYVUWZJMHOLMM-LJIUYHPSSA-N 391.625 4.215 30 50 GIEA biogenic CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CCCC3=O)s1 1422413 FNKQJDSWBYFXMT-SNVBAGLBSA-N 391.543 4.239 30 50 GIEA C=CCOc1ccccc1C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91476885 DWUYECCYHJCIRQ-UHFFFAOYSA-N 396.531 4.039 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1OCC 170618237 AQUFDPXLXONMLA-WMZHIEFXSA-N 394.467 4.413 30 50 GIEA CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3O)o2)cc1 1012035 JNRJHSSQKROMAM-IBGZPJMESA-N 378.384 4.079 30 50 GIEA aggregator CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 257356255 HBKNLOFNSJJGPD-KTHIQWDBSA-N 385.548 4.439 30 50 GIEA CCO[C@@H]1C[C@@H](/N=C(/O)c2c[nH]nc2-c2ccc(Cl)s2)C12CCOCC2 330333934 YLSOCTQQXCXFIY-ZIAGYGMSSA-N 395.912 4.070 30 50 GIEA N#Cc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cnc1C(F)(F)F 496722510 LWRPSIZLOSLBLY-LBPRGKRZSA-N 379.769 4.255 30 50 GIEA COc1ccccc1N1CCN(/N=C(/C)c2ccc(Br)cc2)CC1 5052793 QOVBZDHHFKXFOV-QNGOZBTKSA-N 388.309 4.004 30 50 GIEA CC(C)Oc1ccccc1CC(=O)N1CC[C@@]2(B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 1875368823 RKAUHCYEQSKHQW-WZONZLPQSA-N 399.340 4.101 30 50 GIEA Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1[N+](=O)[O-] 2847371 RMFXCSXURBKJBM-OEAKJJBVSA-N 384.395 4.162 30 50 GIEA N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCCC2 779453 CEHZPXULSNRIGE-OLZOCXBDSA-N 378.881 4.061 30 50 GIEA CCOc1ccc(CC(=O)C2=C(N3CCCC3)CC(C)(C)CC2=O)cc1OCC 1421846 WZAONOMVVQOTTD-UHFFFAOYSA-N 399.531 4.335 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1cccc(OC)c1 1440878 PQSYMEZHCDDXSL-DYESRHJHSA-N 383.419 4.066 30 50 GIEA Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916418 IMHWUDTYEQIITA-RYIVMKPQSA-N 380.532 4.306 30 50 GIEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 169682775 SBHWYMPHTLLVGA-JHJVBQTASA-N 375.328 4.332 30 50 GIEA N#Cc1cccnc1-c1ccc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)cc1 426405740 PHTPDWCTQYIGRN-NRFANRHFSA-N 375.472 4.042 30 50 GIEA C#CCCC1(CCC(=O)N(Cc2nc(C3CCCCCC3)no2)C2CC2)N=N1 2325886123 SSCDTQVYZNEWNN-UHFFFAOYSA-N 383.496 4.354 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1cccs1 6813498 VEJKOEOFZITYLM-SFHVURJKSA-N 394.427 4.061 30 50 GIEA C/C(=N\Nc1cc(-n2nc(C)cc2C)nc(C)n1)c1ccc(Br)cc1 4595607 XNQYWRKHVIHJFL-LPYMAVHISA-N 399.296 4.186 30 50 GIEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O 6819508 UKRITWHCNYLXJT-ZFWWWQNUSA-N 397.858 4.059 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccc(OC)c3)nc21 20604636 XUGZWPBGGKFHFA-UHFFFAOYSA-N 375.400 4.253 30 50 GIEA CCCCCCc1nc([C@@H]2CC[C@@H]2c2nc[nH]n2)n(-c2cccc(C#N)c2)n1 1875348634 XLYOSAKTHNLVRW-ZWKOTPCHSA-N 375.480 4.041 30 50 GIEA Cn1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)nc2c(C#N)cccc21 170596020 WKSFUNAXQMFCFR-UHFFFAOYSA-N 385.427 4.061 30 50 GIEA N#Cc1nc(-c2ccccc2Cl)oc1S(=O)(=O)c1ccc(Cl)cc1 1857800783 OIBPUIPCYPDGCN-UHFFFAOYSA-N 379.224 4.353 30 50 GIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 2069394 FFPCMEOOCWFFSS-NRFANRHFSA-N 399.487 4.102 30 50 GIEA C=CCc1cc(Cl)ccc1OCCCCC(C(=O)OCC)C(=O)OCC 4845569 BOMLTOUPSPZRGM-UHFFFAOYSA-N 382.884 4.360 30 50 GIEA O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 12957751 ZMDBQBRIJXRPNH-UWVJOHFNSA-N 382.203 4.433 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1ccccc1 4209955 ABXVSMKITLJGBP-PXLXIMEGSA-N 381.501 4.037 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccco1 13548840 RQEMWNMZBGZYLN-GOSISDBHSA-N 394.814 4.107 30 50 GIEA CN1C(=N[C@H](CO)Cc2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1c1ccccc1 38331891 RAFFEHDNCQXIQG-ISJGIBHGSA-N 399.538 4.306 30 50 GIEA in-vitro CC[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 670477 GASSIYKEEANMJQ-GFCCVEGCSA-N 378.453 4.493 30 50 GIEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 100557259 SDLCLJYAVNBLEA-DYESRHJHSA-N 395.499 4.013 30 50 GIEA Fc1ccc(Br)cc1C=Nn1c(S)nnc1C1CCCCC1 252394279 DMLFBPNQGNSCHZ-UHFFFAOYSA-N 383.290 4.398 30 50 GIEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 2060965 DBCSOWWTVKNWMJ-MRXNPFEDSA-N 380.282 4.314 30 50 GIEA CC(C)Cc1ccc(CN2CCC[C@@H](NCc3ccc(C#CCO)s3)C2)cc1 20472703 BWMKKKLUSDHHBS-JOCHJYFZSA-N 396.600 4.045 30 50 GIEA COc1cc(OC)c2cc(/C=N/N=C(O)c3ccccc3OC)c(Cl)nc2c1 328597403 GUHWFHZASODTBS-SSDVNMTOSA-N 399.834 4.253 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 170615225 ZLRZGDRPNJUBGT-FPOVZHCZSA-N 379.412 4.223 30 50 GIEA CC1(C)CC(=O)C(=NNc2cc(C(=O)Nc3ccccc3)ccc2Cl)C(=O)C1 1220119 HQKWOVXYFKFBPL-UHFFFAOYSA-N 397.862 4.318 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1196907 PXPJLOGHQOKOQR-INIZCTEOSA-N 390.208 4.077 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 4312457 LZDRGXYJOLPOBX-IBGZPJMESA-N 390.464 4.230 30 50 GIEA C=CCSc1ccccc1NC(=O)CN[C@H](C(=O)OC)c1c(C)cccc1C 225387749 NCPUPKMMQGBPOI-NRFANRHFSA-N 398.528 4.024 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@H](C(=O)c2cccs2)C1 827922274 POCFUKLTUGYGET-KRWDZBQOSA-N 393.508 4.376 30 50 GIEA Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@@H]3C#N)c2)n1 1875353127 KIKAOJXLFUADIY-RDTXWAMCSA-N 383.883 4.303 30 50 GIEA C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=N/n1cnnc1 2873493 KJDSKIHFQLQURN-ZMOGYAJESA-N 382.851 4.000 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(C)c1 623412 PCOMWVMTKLTCSJ-FQEVSTJZSA-N 383.488 4.171 30 50 GIEA CCCc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N 100693063 OYVVCLXEKYEZMM-UHFFFAOYSA-N 396.498 4.033 30 50 GIEA C=CC[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)c1ccccc1 2325819701 NGISMELEUHYVCF-STZQEDGTSA-N 376.500 4.072 30 50 GIEA Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccc(F)cc3)o2)cc1 2812768 LJZWIZUCKWGYTN-UHFFFAOYSA-N 382.416 4.137 30 50 GIEA O=C1[C@H](Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1 13562887 WWJBBAVZMXDREP-QZXJWJGPSA-N 375.453 4.361 30 50 GIEA Cc1ccc(S(=O)(=O)/N=C(\NCc2ccccc2)c2ccc(F)cc2)cc1 15919346 LXYGNDSLCCEQQZ-UHFFFAOYSA-N 382.460 4.059 30 50 GIEA CC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)CC1 6742380 BGWAOWMBVAXTTB-UHFFFAOYSA-N 381.501 4.101 30 50 GIEA O=C(/C(=C/Nc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccco1 100467109 VKBLDFOAOXETBU-FLIBITNWSA-N 388.139 4.352 30 50 GIEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)C2CCCCC2)n1CCCC 55168955 RVUQSMMLQYWVCD-UHFFFAOYSA-N 381.586 4.188 30 50 GIEA C=CCn1c(CN(C)Cc2cccc(C)n2)nnc1SCc1cccc(F)c1 14995761 LWVXKDVEBNXWPE-UHFFFAOYSA-N 397.523 4.231 30 50 GIEA COc1ccc(C[C@@H]2S/C(=N/N=C/c3cccc4ccccc34)NC2=O)cc1 5214675 GOWBOYZYCMJMDZ-BTVXTAIASA-N 389.480 4.013 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cc(OC)cc(OC)c1 253430694 FPFPYTJHFVKISD-UNMCSNQZSA-N 380.440 4.023 30 50 GIEA Cn1cc(/C=C2\C[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](O)CC[C@H]43)CC2=O)cn1 253505401 MEBTWHFCEXALJM-XVPPHDNXSA-N 382.548 4.386 30 50 GIEA FC(F)(F)c1cc(N/N=C2/CC[C@H]3[C@H](C2)C3(F)F)nc(-c2cccnc2)n1 2325770997 JHSIVUGJXFVLQY-ZCPZOWCOSA-N 383.324 4.391 30 50 GIEA COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 9348907 JIMRNSVFPBQRSP-LFVRLGFBSA-N 376.456 4.468 30 50 GIEA biogenic,in-vitro O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1cccc2ccccc12 20608311 GMRHAZNJEUOQJA-UHFFFAOYSA-N 394.504 4.421 30 50 GIEA Cc1cnc(C2CCN(/C(O)=N/C[C@@]3(C)OCCc4sccc43)CC2)s1 329741391 VXCWZQQUYXBGAL-LJQANCHMSA-N 391.562 4.095 30 50 GIEA C=CCOc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 2144522 BCEUVEYSGFEGQC-VBKFSLOCSA-N 384.229 4.358 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 6819701 UENDKUZODGGNTQ-QAPCUYQASA-N 381.859 4.353 30 50 GIEA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1ccc(C)cc1 18283478 PQRPVFNMSISUAW-NKFKGCMQSA-N 375.457 4.309 30 50 GIEA CC(=O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)cc1 4998578 KDCBFQQSATUOSE-UHFFFAOYSA-N 396.443 4.276 30 50 GIEA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 20993001 LORHKBBSTWVTAB-INIZCTEOSA-N 387.570 4.335 30 50 GIEA COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 100007120 ZMGUKFHHNQMKJI-CIOHCNBKSA-N 396.439 4.459 30 50 GIEA biogenic,investigational N#Cc1ccc2c(Cl)c(S(=O)(=O)c3ccc(F)c(Cl)c3)cnc2c1 232314156 YVZDRZVCBVYRMZ-UHFFFAOYSA-N 381.215 4.385 30 50 GIEA CCCCCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 409413683 RBBZSIFZZRPZPJ-OYSTVDSJSA-N 386.529 4.150 30 50 GIEA C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 241170986 KDHPHUQYGIQPGP-WCXIOVBPSA-N 384.549 4.371 30 50 GIEA O/C(=N/[C@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328604185 ITHSKVHKAUSHKO-IPJJNNNSSA-N 389.455 4.099 30 50 GIEA CC(=O)O[C@](C)(C#CCN1CCCC[C@H]1c1cccnc1)Cc1ccccc1 252430735 HJMJDULWIZHBIX-BJKOFHAPSA-N 376.500 4.177 30 50 GIEA biogenic CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC#N 676121 AGYOLQVZYFYBQI-UHFFFAOYSA-N 393.262 4.206 30 50 GIEA CCOC(=O)c1oc2c(c1C)/C(=N/OC(=O)c1ccccc1Cl)CCC2 4471983 MRDLVCBUWXLXCH-KGENOOAVSA-N 375.808 4.316 30 50 GIEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 19731380 JJYIHDYVEBELQH-OAQYLSRUSA-N 381.472 4.236 30 50 GIEA Cc1nc2sc3c(c2c(=O)n1/N=C/c1c(O)ccc2ccccc12)CCCC3 22016908 MXQNWRMLTSDGKH-FSJBWODESA-N 389.480 4.386 30 50 GIEA CC1(C)OB(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OC1(C)C 169747081 IUZSQEGKYZLEDM-UHFFFAOYSA-N 391.198 4.257 30 50 GIEA Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)cc1C 4603722 GLUDJYLBXXXFSA-UHFFFAOYSA-N 381.259 4.047 30 50 GIEA Cc1nc([C@@H]2CCCOC2)sc1/C(O)=N/[C@H](c1nc(C2CC2)no1)C(C)C 328779357 DYWRRSOVDDFGHQ-KGLIPLIRSA-N 390.509 4.308 30 50 GIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 2069395 FFPCMEOOCWFFSS-OAQYLSRUSA-N 399.487 4.102 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 5047552 UEFSTJZORAACHQ-VBHHZLGVSA-N 375.856 4.033 30 50 GIEA COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)cc1OC 6710576 OCPKATGVEZJILC-UHFFFAOYSA-N 379.363 4.453 30 50 GIEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(O)=Nc1ccc2c(c1)N=C(O)[C@H](C)O2 328603371 FXPQPXASZXRCPD-ONJZCGHCSA-N 394.427 4.393 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)c1 4916173 ACCQNCZBWFORHU-APWZRJJASA-N 391.467 4.017 30 50 GIEA Cc1ccc(/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)Nc2ccccc2)cc1 17729321 KLQSWINCHCQIRY-UHFFFAOYSA-N 395.440 4.151 30 50 GIEA C#CCCC1(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)OC(C)(C)C)N=N1 2325894932 YVKQWSZNJAATGN-KRWDZBQOSA-N 375.513 4.139 30 50 GIEA C=CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 12433139 CRKSQLXFYFNTBQ-LJQANCHMSA-N 378.472 4.115 30 50 GIEA CC(O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 100085634 KGUUGWKHBRPWIW-UHFFFAOYSA-N 378.165 4.333 30 50 GIEA C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC 1162137 GOKCOTMACWIHFT-XMHGGMMESA-N 392.455 4.310 30 50 GIEA N#Cc1cc(-n2c3ccccc3c3nc4ccccc4nc32)c([N+](=O)[O-])cc1C#N 1426354 DAAZIKKSKGAXIK-UHFFFAOYSA-N 390.362 4.378 30 50 GIEA CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1OC 726669 ZUGLRQJHYHGHAP-NRFANRHFSA-N 399.487 4.013 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1F 244866426 VWBAYPZVCVNMJW-VABKMULXSA-N 381.447 4.224 30 50 GIEA CCSC1=N/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)S1 4755275 QNQOSBPXVIUULX-YHYXMXQVSA-N 388.308 4.190 30 50 GIEA Cc1ccc(/C=N/N=C2/N=C(O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)o1 5101699 QRTADXNTWHNSQD-FRSZACSASA-N 390.852 4.032 30 50 GIEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(O)c2)C(=O)C1 100004236 CLQHKWHMJDYBFU-IBGZPJMESA-N 384.472 4.251 30 50 GIEA N#Cc1cccnc1N1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 252505112 VOMHJOPFYGVCNJ-OAHLLOKOSA-N 396.248 4.107 30 50 GIEA CCCCCCCCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 299738244 MKESSAGIAJHUQQ-UHFFFAOYSA-N 397.519 4.491 30 50 GIEA COc1ccc(-c2ccc(C)c(N=C(O)N3CCC[C@@H]3[C@H]3CCCO3)c2)cn1 329075315 BTTYNGKJHXXXNK-WOJBJXKFSA-N 381.476 4.255 30 50 GIEA N#Cc1c(F)cccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170624909 OSBWYSXYHOLVBL-UHFFFAOYSA-N 376.269 4.018 30 50 GIEA Cc1cccc(C(/N=C(/O)N2C[C@H](C)O[C@]3(CCOC3)C2)c2cccc(C)c2)c1 329987762 GLYCXPOWMTXDHF-YADARESESA-N 394.515 4.187 30 50 GIEA COc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 710379 QBDMRWZTXQOYJR-FSJBWODESA-N 391.452 4.024 30 50 GIEA Clc1ccc(N2CCN(/N=C/c3ccccc3Br)CC2)cc1 1740154 QIPKNCUMXAQLIT-DEDYPNTBSA-N 378.701 4.259 30 50 GIEA C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=O)C(=C)C 2384159 HGLKOBDJKGIAQC-UHFFFAOYSA-N 398.246 4.114 30 50 GIEA N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3)o2)sc2c1CCCC2 2842122 BRSHWCMRRGNNPU-UHFFFAOYSA-N 396.497 4.279 30 50 GIEA COCc1cc(C)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N 653772 ACEQVUWUVGOUCT-UHFFFAOYSA-N 395.406 4.158 30 50 GIEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(Cl)cc1)C(C#N)C#N 4996422 DFSPIENFHZPDDV-RBUKOAKNSA-N 383.810 4.070 30 50 GIEA Clc1ccc(N2CCN(/N=C\c3ccc(Br)cc3)CC2)cc1 5009052 KIGBNWZCSQCRCT-MOSHPQCFSA-N 378.701 4.259 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1Cl 25695346 LLAVYNCRKPBOEK-QGZVFWFLSA-N 377.843 4.256 30 50 GIEA Cc1cc(Br)c2c(c1)/C(=N\Nc1cccc3cccnc13)C(=O)N2C 100497725 QLOPFBPXUHWFGT-HAVVHWLPSA-N 395.260 4.098 30 50 GIEA C[C@H]1C[C@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 2050025072 RIBJFKHCXQKAFB-BLLLJJGKSA-N 393.422 4.243 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19731796 WOLIPBJXTIJDID-FQEVSTJZSA-N 380.488 4.171 30 50 GIEA O=C(C1CCCC1)N1CCC[C@@H]1/C(O)=N/[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 330064836 RLKLWRONSZYSJF-RCCFBDPRSA-N 392.446 4.282 30 50 GIEA Cc1cc(C)c(C(=O)C[n+]2cc(Br)cc(Br)c2)c(C)c1 3129736 DLRGKXUDWCVLNT-UHFFFAOYSA-N 398.118 4.307 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 5107462 DNDPSOYCAILILI-NRFANRHFSA-N 377.400 4.122 30 50 GIEA CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 17078125 WMRXIXJXAVEMBF-HMAPJEAMSA-N 382.485 4.056 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl 2259302 ZCEPSUKLTWAUFU-CYBMUJFWSA-N 396.270 4.094 30 50 GIEA COc1cc(C#N)cc(Cl)c1OCc1cccc(I)c1 2876326 BRAQIVZHQUVCEH-UHFFFAOYSA-N 399.615 4.404 30 50 GIEA CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(F)c1 6420088 ZOTCMCCDRBTOBP-HNNXBMFYSA-N 399.491 4.222 30 50 GIEA CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(NCC)nc1 71750226 NGRKFWTYNBIBTN-AWEZNQCLSA-N 394.523 4.049 30 50 GIEA Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CC(F)(F)C(F)(F)C1 1329043136 CQYZGNREXSOBTF-UHFFFAOYSA-N 395.278 4.130 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2 628850 YUDCYZDTZSCVSS-UHFFFAOYSA-N 393.483 4.389 30 50 GIEA C#CCN(Cc1ccco1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 11955532 UVVGSJFCNNVVHT-UHFFFAOYSA-N 390.439 4.001 30 50 GIEA Cc1ccc(CN2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)c(C)c1 19791121 IQWVFGRXSAEHDJ-AFUMVMLFSA-N 375.438 4.474 30 50 GIEA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccccc1C#N 221951997 DQNOKEWRXLFZAQ-AHQQAOBSSA-N 386.879 4.006 30 50 GIEA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 229786092 ZBXWRWJLOBAJTQ-VNQPRFMTSA-N 382.533 4.246 30 50 GIEA CC1(C(=O)NC[C@@H]2CCCC2(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 452808711 CMTQYEHZSWKNDI-HNNXBMFYSA-N 395.881 4.370 30 50 GIEA N#Cc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cnc1C(F)(F)F 496722509 LWRPSIZLOSLBLY-GFCCVEGCSA-N 379.769 4.255 30 50 GIEA N#Cc1c(N)nc2c(C(N)=O)c(Nc3ccccc3)sc2c1-c1ccccc1 19881424 VJCANGHIFSKRFF-UHFFFAOYSA-N 385.452 4.260 30 50 GIEA COc1ccc(-c2nnc(S)n2N=Cc2cccc(Cl)c2Cl)cc1 239030701 CIDAKVVBHFQRLI-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA O/C(=N/CCc1cn2ccccc2n1)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328606760 SWOBZTXAWOXXLF-UWJYYQICSA-N 381.863 4.227 30 50 GIEA N#CC1(C(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)CCOCC1 839349579 WFLZEPLJFLJXRA-UHFFFAOYSA-N 393.468 4.379 30 50 GIEA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 19775020 KYKSDGPJNNCXRH-IBGZPJMESA-N 375.415 4.132 30 50 GIEA N#Cc1cnn2cc(CNc3cc([C@@H]4CC4(F)F)cc(C(F)(F)F)c3)cnc12 1875405834 PJGXIOYOLZKLEP-HNNXBMFYSA-N 393.319 4.354 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 19856860 MUBGRJCTQFIUBZ-VBKZILBWSA-N 397.858 4.468 30 50 GIEA C=CCn1c(SCC(=O)c2cccs2)nc2sc(CC)cc2c1=O 909638 YRRDWZGAEKXPDY-UHFFFAOYSA-N 376.528 4.243 30 50 GIEA CCOC(=O)SC1=N/C(=C\c2cc(Cl)cc(OC)c2OC)C(=O)S1 4953300 LGUNYQUYOMTNAJ-POHAHGRESA-N 387.866 4.217 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118921941 CSBUEGHWYWGGEI-CLTBKRHKSA-N 380.532 4.306 30 50 GIEA C=CCc1cc([C@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OC(C)C 65455006 GKOCPMBCASZVLC-GOSISDBHSA-N 375.472 4.002 30 50 GIEA CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1OC 4987425 COJSSQFVFSOMKI-GJZGRUSLSA-N 397.496 4.160 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1 170615208 KLXNLCJBWBQLQU-IFMALSPDSA-N 398.430 4.162 30 50 GIEA CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CCC3)cc1OC 4062142 QUMUZJLMOYNZLA-NRFANRHFSA-N 399.487 4.015 30 50 GIEA Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(Br)cc2)o1 6925475 DHYOPOLCADMONL-HJWRWDBZSA-N 387.233 4.251 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 20604938 DQSFZYIUCMJIFV-UHFFFAOYSA-N 393.390 4.334 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1ccc(F)cc1 225509906 JNWOJHMVINNLNO-SIKLNZKXSA-N 398.430 4.162 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 1082070 HJVJWPHAAAACPT-AVRDEDQJSA-N 388.467 4.006 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 1220243 UEFSTJZORAACHQ-OLIBUNOHSA-N 375.856 4.033 30 50 GIEA N#Cc1ccccc1CN1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 95512821 IKSYYPPOBZMOCW-UHFFFAOYSA-N 379.479 4.006 30 50 GIEA COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@H]1C)N(C)CC3)OCO2 252693666 FKYITSOBJSHMDA-GJRUGPNGSA-N 397.515 4.461 30 50 GIEA biogenic Cc1cc2c(cc1C)[C@H](/C(O)=N/[C@H]1C[C@H](C)S(=O)(=O)c3sccc31)CO2 329751186 VMHNTNQPEDSBMI-MAZHCROVSA-N 391.514 4.105 30 50 GIEA Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 1168591 BAGWDNCWRTVDBN-WYMPLXKRSA-N 379.851 4.156 30 50 GIEA CC(C)(C)c1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 1182319 DRBGIJRNHRMGLN-VULFUBBASA-N 387.487 4.492 30 50 GIEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 720004 MEQRVCMWCLVXAP-SLIIYKDFSA-N 398.409 4.196 30 50 GIEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1475323 UQFLMXHMWRDGEO-YDZHTSKRSA-N 387.468 4.090 30 50 GIEA C=CCC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 11765013 IANGHOLYIXBSTP-UHFFFAOYSA-N 382.435 4.371 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)cc(OC)c1 253431069 GIUBYORGZKPLAE-IRLDBZIGSA-N 398.430 4.162 30 50 GIEA Cc1ccccc1C1(C/N=C(/O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)CC1 329460152 RXLXZVGSACRFAV-KRWDZBQOSA-N 393.535 4.267 30 50 GIEA CCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1OCC 4905861 JGHXOQLVCULWEO-KGENOOAVSA-N 382.489 4.347 30 50 GIEA N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)CCCOc1ccccc1 4986007 DVCGFZQIAQIBSV-UHFFFAOYSA-N 381.259 4.211 30 50 GIEA Cc1ccc(-c2nc(NCc3ccncn3)ncc2-c2cccc(C#N)c2)cc1 65397871 IONHZRWJYZPOHP-UHFFFAOYSA-N 378.439 4.393 30 50 GIEA C=CC[C@H]1CC=C[C@H](C)N1Cc1nc(-c2cc(OC)c3c(c2)OCO3)oc1C 208466594 MXOBUWXVQOSKFE-YOEHRIQHSA-N 382.460 4.482 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F 1201793 CFXXPOTWODJKBP-OPAMFIHVSA-N 391.442 4.360 30 50 GIEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 11955432 MMKWGOXIOOLYTC-SJLPKXTDSA-N 390.487 4.196 30 50 GIEA FC(F)(I)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 71766863 YRAAQTPTEGTGOK-PVQJCKRUSA-N 378.840 4.386 30 50 GIEA in-vitro FC(F)(F)C(F)(F)C(F)(F)CNCC(F)(F)C(F)(F)C(F)(F)F 100034628 ZBFYNWWMCBFWFV-UHFFFAOYSA-N 381.107 4.242 30 50 GIEA CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 2208400 IKCAJUYLTOBDSZ-UHFFFAOYSA-N 394.585 4.312 30 50 GIEA Cc1ccc(NC(=O)C(=NNc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1 2903560 YPOFUIPXABOKQB-UHFFFAOYSA-N 386.455 4.349 30 50 GIEA C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)CC1 35477202 ZUWMCKPXRSHHHC-UHFFFAOYSA-N 375.520 4.020 30 50 GIEA CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 71770511 SZOCJNYVWVFBFU-GDPKUKTISA-N 382.500 4.209 30 50 GIEA CC1(C)OB(c2cccc(COc3cccc(Br)c3)c2)OC1(C)C 384937194 BPLYVZITBZMGNW-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 19315132 GYYOBJJCXAZJIG-NRFANRHFSA-N 396.531 4.454 30 50 GIEA COc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 19536644 SZRWSYWVOPRLOT-OAQYLSRUSA-N 381.472 4.149 30 50 GIEA Clc1ccc(CN2CCN(/N=C/c3ccccc3Br)CC2)cc1 19594630 YZHZQEHFFSKHJU-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1C 1199962 LGIQEAGKWKIRHM-UHFFFAOYSA-N 375.881 4.316 30 50 GIEA C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1cccc(Cl)c1C 6701086 IEZHDXSYRLQSGO-UHFFFAOYSA-N 378.929 4.355 30 50 GIEA Cc1nccn1CC[C@@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O 1506415873 BGCCYOFRDAWZHL-FQEVSTJZSA-N 391.515 4.170 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 5062166 RTTWRWIZRSKYNI-HXUWFJFHSA-N 395.455 4.082 30 50 GIEA C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 19771409 KVDVAWBLDPOQCG-LGUFXXKBSA-N 385.511 4.417 30 50 GIEA COc1ccc(/C(C)=N\OCO/N=C(\C)c2ccc(OC)cc2F)c(F)c1 5090965 RUYPYJFQCWOXJQ-SEKXJNOLSA-N 378.375 4.121 30 50 GIEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 5092827 CBPHZHOUXJCTTH-HXUWFJFHSA-N 379.485 4.058 30 50 GIEA CC(C)Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 32594001 YEXWQOOYCMRGNO-UHFFFAOYSA-N 377.448 4.179 30 50 GIEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2O)C(=O)C1 100004764 JJUPYVIJLVDFPF-IBGZPJMESA-N 384.472 4.251 30 50 GIEA Cc1oc(-c2cnn(C)c2)nc1/C(O)=N/[C@@H]1CC(C)(C)Oc2cc(F)ccc21 330081935 AMXUDUZJIIGWGT-OAHLLOKOSA-N 384.411 4.130 30 50 GIEA CCOc1cc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)ccc1O 2366209 MPOKWPHPZJRHPU-CIAFOILYSA-N 398.488 4.381 30 50 GIEA COc1ccc2c(=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2c1 2897336 IYWPGUOAYMJPNT-UHFFFAOYSA-N 376.199 4.429 30 50 GIEA Cc1ccc(NC(=O)C(=O)[C@@H]2CCC3=C(Sc4ccccc4N3)C2=O)cc1C 100721876 HHXQJMJTJRSUMP-OAHLLOKOSA-N 392.480 4.220 30 50 GIEA CC[C@@H](C)C(O)=Nc1cccc(C/N=C(/O)c2cc(O)c3c(cnn3C)c2)c1 328592837 INQANEJXWLHNFW-CYBMUJFWSA-N 380.448 4.418 30 50 GIEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n[nH]1 471504054 QPTUWZIKUIPSMR-JTQLQIEISA-N 386.399 4.005 30 50 GIEA C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 673187 DTIVARGBHHGTBI-UHFFFAOYSA-N 378.501 4.360 30 50 GIEA C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccn1C 239386699 QAZWGEOVYIBBCB-KXBFYZLASA-N 396.560 4.391 30 50 GIEA Cc1cc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)nc(C)c1C#N 584894355 HERPBKONKLPEHY-FQEVSTJZSA-N 377.488 4.268 30 50 GIEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(Br)c2cccnc12 828327154 CGGHJHGWDIOJLO-JLHYYAGUSA-N 395.212 4.095 30 50 GIEA COc1ccc(-c2csc(C3=C(N)N(c4ccccc4Cl)CC3=O)n2)cc1 5658267 FQWNCJJAKCSOSG-UHFFFAOYSA-N 397.887 4.189 30 50 GIEA CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1OC 4987428 COJSSQFVFSOMKI-LSDHHAIUSA-N 397.496 4.160 30 50 GIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1885337 ZWFMUYVTNHUWRZ-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1ccc(Cl)cc1Cl 11847388 HEGIRXVLVLQKLJ-NACCWKTGSA-N 384.313 4.219 30 50 GIEA CCOC(=O)[C@](C)(/N=C(/O)Cc1coc2cc3c(cc12)CCC3)c1cccnc1 328594971 HDRAMEFSQLLEKR-HSZRJFAPSA-N 392.455 4.294 30 50 GIEA Cc1noc2nc(-c3ccccc3)cc(/C(O)=N/[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c12 328680092 NLZRZHJLSSYWFX-CWFSZBLJSA-N 389.455 4.460 30 50 GIEA Cc1ccc2c(c1)nc(C/N=C(/O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)n2C 328725025 YXBNKJIJDRMPHL-IBGZPJMESA-N 394.523 4.253 30 50 GIEA OC(=Nc1cc2c(cc1Br)CCC2)c1coc(C2CCOCC2)n1 328740734 NEYNZMVNQYXGEI-UHFFFAOYSA-N 391.265 4.456 30 50 GIEA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 12300172 BYNOROIOACOKMF-OAQYLSRUSA-N 381.903 4.169 30 50 GIEA Cc1ccc2c(C(=O)N3CCC(C#N)CC3)cc(-c3cnn(C(C)C)c3)nc2c1 63882684 PZPPXVNJQAWZOV-UHFFFAOYSA-N 387.487 4.363 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1C=Nn1c(S)nnc1C1CCCCC1 244723504 MCUDEDPPAXZLIE-UHFFFAOYSA-N 380.521 4.299 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 2923013 QZBOEMAUVRVFAW-LJQANCHMSA-N 389.492 4.090 30 50 GIEA N/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 4480814 YUWFPMJYIUKACA-CQSZACIVSA-N 394.283 4.005 30 50 GIEA O=S(=O)(/N=C(\Nc1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1 12378361 VLWJYMIVJUMZCM-UHFFFAOYSA-N 386.860 4.293 30 50 GIEA N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 370585956 YXFBTTZIDYHHKE-UHFFFAOYSA-N 375.259 4.478 30 50 GIEA O=C(c1cc([C@H]2CC2(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)F)C1 1875310054 BDTMHWRQWMFCFA-DOMZBBRYSA-N 399.306 4.060 30 50 GIEA Cc1cc(Br)cc2c1NC(=O)/C2=N\Nc1cccc2cccnc12 15018318 QBHPDNZLRDSSLO-UHFFFAOYSA-N 381.233 4.074 30 50 GIEA C=C1[C@@H](OC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)C[C@H]2C[C@@H]1C2(C)C 2325872303 QZTRHMDWOCHJAM-SLHNCBLASA-N 383.488 4.225 30 50 GIEA CC(=O)Nc1ccc(-c2csc(NC=C3C(=O)c4ccccc4C3=O)n2)cc1 2380925 DHCHTYITJFMFQL-UHFFFAOYSA-N 389.436 4.144 30 50 GIEA Cc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2O)n1 4837351 URKJIAHPNNBRCJ-RGVLZGJSSA-N 383.249 4.366 30 50 GIEA COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 5361353 BHYRYJGWJPOMJM-UHFFFAOYSA-N 375.336 4.326 30 50 GIEA C[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 21300823 GCGWWKKSGPETMI-QGZVFWFLSA-N 398.381 4.198 30 50 GIEA in-vitro O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 102629934 UGFKYYFQVNJBKL-ZDLGFXPLSA-N 397.303 4.117 30 50 GIEA COc1ccc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c(C)n1 328607922 XLGVXJVQNRHRIR-GHTZIAJQSA-N 392.459 4.009 30 50 GIEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C[n+]1ccccc1 1857801104 JCXKLDMPWBYJSG-FTYJQFIZSA-N 394.579 4.483 30 50 GIEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 627320 DPWBRKIVBKPSIX-CQSZACIVSA-N 383.473 4.054 30 50 GIEA Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 2885436 QUURQJVVFAHCER-SRZZPIQSSA-N 390.424 4.224 30 50 GIEA CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 257356256 HBKNLOFNSJJGPD-SNPBOTQKSA-N 385.548 4.439 30 50 GIEA COc1c(Cl)cccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 6180422 GACHZLTYLQHOKB-REZTVBANSA-N 385.601 4.476 30 50 GIEA C=C(C)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12701637 GIBNFLQQKAZMKN-UHFFFAOYSA-N 378.516 4.078 30 50 GIEA FC(F)(F)c1cc(N/N=C2/CC[C@H]3[C@@H](C2)C3(F)F)nc(-c2cccnc2)n1 2325770996 JHSIVUGJXFVLQY-YJQNMZSMSA-N 383.324 4.391 30 50 GIEA COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 726218 IKZMCEGCTBVWEZ-UHFFFAOYSA-N 385.419 4.343 30 50 GIEA Cc1c(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cnn1C 2769876 DHMORRVQWSRTGI-PPYMECGQSA-N 382.533 4.465 30 50 GIEA C=CCc1ccccc1OCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 13942014 KUGFSBALUDTRIR-RGEXLXHISA-N 397.521 4.362 30 50 GIEA COc1ccc(CC[C@](C)(O)C#CCN2CCCC[C@H]2c2cccnc2)cc1 245226126 IRUDFFVUOWSUDD-BJKOFHAPSA-N 378.516 4.004 30 50 GIEA biogenic C/C(=N\NC(N)=S)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253499393 GAYVUWZJMHOLMM-UVUSASLMSA-N 391.625 4.215 30 50 GIEA biogenic CC1(C)C[C@@H]1c1nc(-c2cccc(C#CCO)c2)n(CCCc2ccccc2)n1 1875348501 SWYWQVQMXLJKEQ-JOCHJYFZSA-N 385.511 4.435 30 50 GIEA CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)s1 1422414 FNKQJDSWBYFXMT-JTQLQIEISA-N 391.543 4.239 30 50 GIEA C=CCNC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1OC 4693946 HKVRJWWIJQSNAL-UHFFFAOYSA-N 395.484 4.090 30 50 GIEA N#Cc1ccccc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157156 CDNGELQQMJBZGH-VWLOTQADSA-N 394.478 4.135 30 50 GIEA CC1CCN(c2oc(COc3ccc(Br)cc3)nc2C#N)CC1 934596 UNEKPHIUEYJURD-UHFFFAOYSA-N 376.254 4.124 30 50 GIEA C=CCOc1cccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)c1 12749459 RSZADRPENHUYSM-JOCHJYFZSA-N 378.516 4.031 30 50 GIEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccccc1Cl 19898697 SYYNUDGYESJITC-UHFFFAOYSA-N 387.863 4.033 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 247640497 GWLWQRRMIMIZSS-WDQPAMAPSA-N 380.488 4.134 30 50 GIEA CN(C)CCO/N=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257358566 VDVFPECJIDUPKS-CWGUZCRZSA-N 376.585 4.324 30 50 GIEA O=C(C[n+]1nc(CNc2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1 15974040 KSEHTGFCMPCWNP-UHFFFAOYSA-N 395.914 4.045 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)cc(OC)c1 253432923 PXEBHSBOBDOISD-FYYLOGMGSA-N 394.467 4.332 30 50 GIEA COc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 2285697 NBVZVCGNWUPXLQ-ZRBLBEILSA-N 395.462 4.076 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(C)cc1C 7759955 LZJQXECZCLQARH-UHFFFAOYSA-N 377.444 4.190 30 50 GIEA C=CCn1c(CN(C)Cc2ccc(C)o2)nnc1SCc1cccc(F)c1 14994784 NABWTYQJMJCLEJ-UHFFFAOYSA-N 386.496 4.429 30 50 GIEA Oc1ccc2ccccc2c1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 19773236 WVHGHMAUSGTMRP-BUVRLJJBSA-N 379.891 4.351 30 50 GIEA CCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21 148637365 MHCCJPOSGQNASO-UHFFFAOYSA-N 385.489 4.386 30 50 GIEA C=CCn1c(SCc2nc3ccccc3[nH]2)nc2sc(CC)cc2c1=O 1177234 XNXDZNBQYRFAGD-UHFFFAOYSA-N 382.514 4.375 30 50 GIEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 2055338 SHEZOSXOKAWSLV-OAQYLSRUSA-N 383.488 4.397 30 50 GIEA Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 3372234 POZPZZKONKRHIV-UHFFFAOYSA-N 389.415 4.241 30 50 GIEA C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 15011152 CXYMJMZIRDEQBY-BOPFTXTBSA-N 383.429 4.225 30 50 GIEA C#CCCC1(CCC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)N=N1 2325892571 SBZXJPAHAIRCCI-UHFFFAOYSA-N 377.492 4.112 30 50 GIEA C=CCn1c(SCc2cc3c(cc2Cl)OCO3)nnc1-c1cccnc1 1446247 SXEQGAJBOONBRD-UHFFFAOYSA-N 386.864 4.201 30 50 GIEA COc1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 2233889 LCYJPFJPEFARHS-DJKKODMXSA-N 379.272 4.431 30 50 GIEA C=C(C)CN(CC)C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C 11913010 GWMRUAXQBAEKQU-UHFFFAOYSA-N 381.505 4.045 30 50 GIEA COc1ccccc1N/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 18086111 BKMHTKOIKNZTAE-UHFFFAOYSA-N 380.469 4.251 30 50 GIEA COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O 626935 OILODDNMSBPAKC-UHFFFAOYSA-N 395.499 4.374 30 50 GIEA COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 4869631 VVHLLIDVSGDNCN-WXFUMESZSA-N 393.483 4.094 30 50 GIEA COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6819478 XKSUDNDLYJLNQU-PBHICJAKSA-N 381.859 4.353 30 50 GIEA C/C(O)=N/[C@H](CC(=O)N1CCC[C@@H]1C1CCOCC1)c1ccc(Cl)cc1 329392768 VWRKRRYXTMDPTO-RTBURBONSA-N 378.900 4.165 30 50 GIEA Cc1ccc(NC(=O)C(=O)[C@H]2CCC3=C(Sc4ccccc4N3)C2=O)cc1C 100721879 HHXQJMJTJRSUMP-HNNXBMFYSA-N 392.480 4.220 30 50 GIEA Cc1c(F)ccc2[nH]c(C(=O)N3CC[C@]4(B5OC(C)(C)C(C)(C)O5)C[C@@H]4C3)cc12 1776002749 BDVWDTHEGVIIHG-PEBXRYMYSA-N 398.287 4.314 30 50 GIEA CCCCCCCC[n+]1c(C)n(CC)c2cc(C(=O)OC)c(C(=O)OC)cc21 97990124 RTULNVBZANXCIG-UHFFFAOYSA-N 389.516 4.191 30 50 GIEA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccccc1C#N 221951946 DQNOKEWRXLFZAQ-WSACYYNKSA-N 386.879 4.006 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 827884162 JXUFCVZAKJAJBV-IBGZPJMESA-N 395.524 4.463 30 50 GIEA Cc1ccc(C(C)C)c(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1 2709229 CPRQTMSLSFSUAN-UHFFFAOYSA-N 381.881 4.496 30 50 GIEA O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccc(Cl)cc1 5713874 YFYWPRWZRYWISC-UHFFFAOYSA-N 388.672 4.335 30 50 GIEA Cc1ccc(O[C@@H](C)C(O)=Nc2snc(C)c2C#N)c(Br)c1 328597902 JHWHEXCACTWJIK-JTQLQIEISA-N 380.267 4.450 30 50 GIEA CCc1ncsc1N=C(O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328605236 MSQIIEURUTWAKC-YJBOKZPZSA-N 382.489 4.316 30 50 GIEA COCc1cc(=O)c(O)c(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccccc2)o1 1857526956 WNLFIAJWEGKHOP-UHFFFAOYSA-N 399.406 4.088 30 50 GIEA C[C@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1 817597 SOEVJGQJGNFOCF-ZDUSSCGKSA-N 382.261 4.153 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 17886419 PIWFESMCEYBBIS-HKUYNNGSSA-N 397.858 4.097 30 50 GIEA Cc1ccc(N/C(N)=N\c2nc(C(F)(F)F)cc(C(F)(F)F)n2)c(C)c1 55512330 IZCRBOJSXSMDMX-UHFFFAOYSA-N 377.292 4.189 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1F 225512380 BOFLBYDMPZMDEL-KNQAVFIVSA-N 398.430 4.162 30 50 GIEA CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1C[C@@H]2CC[C@H](C1)N2C 287018483 NYPMGKZMEYCUSB-YOFSQIOKSA-N 390.487 4.439 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(F)cc1 864372 SKZAEPYYNKXXRD-VJBWXMMDSA-N 381.447 4.224 30 50 GIEA COc1cccc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)c1OC 1196711 ABYGQXTWSDNUSM-UHFFFAOYSA-N 380.473 4.154 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 5048340 BSWUGTZLUADDFH-OLIBUNOHSA-N 375.856 4.033 30 50 GIEA C=CCN1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cnc(CCC)nc2)C1 65407028 DTMBQICMRJPGMN-IBGZPJMESA-N 387.531 4.468 30 50 GIEA Cc1ccc(CC/N=C(/O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)cn1 328607143 USFGRTJEIXOPNF-UGKGYDQZSA-N 390.487 4.161 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)c1 4916197 ACCQNCZBWFORHU-QFBILLFUSA-N 391.467 4.017 30 50 GIEA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)cc1 239174594 QGYCFTTWTKCJOW-STEAMIEHSA-N 392.480 4.365 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@@H](OC(C)=O)[C@@]1(C)CC3=O 257350043 UHDRFSPZQJHGCE-FNSREHJXSA-N 388.504 4.136 30 50 GIEA C=CCn1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 1147405 OCJIQQVYWFREQG-XDHOZWIPSA-N 375.403 4.059 30 50 GIEA C=C(C)CN(C)C(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 11712696 OXCZUIUIFKGKDL-UHFFFAOYSA-N 382.479 4.080 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 1157842 ODDPNWONEMZFCX-KBVGCWLLSA-N 394.290 4.296 30 50 GIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCC)c1 2775951 VXNXBGUEASKBOW-OAQYLSRUSA-N 383.488 4.397 30 50 GIEA C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 19849110 RGESARGXJNLOGU-MOHJPFBDSA-N 388.471 4.290 30 50 GIEA N#C[C@@H](C(N)=O)[C@@H](SCc1ccccc1)c1ccc(Br)cc1 23549807 VIXPFPDPFIOCJJ-CVEARBPZSA-N 375.291 4.049 30 50 GIEA CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(Cl)cc1Cl 1185355 AFBFDFFOWXKZOB-NUGSKGIGSA-N 391.258 4.445 30 50 GIEA Cc1c(F)ccc2[nH]c(C(=O)N3CC[C@@]4(B5OC(C)(C)C(C)(C)O5)C[C@H]4C3)cc12 1776002750 BDVWDTHEGVIIHG-RCDICMHDSA-N 398.287 4.314 30 50 GIEA CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1OC 4987426 COJSSQFVFSOMKI-HUUCEWRRSA-N 397.496 4.160 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1 2050024750 HFIKOEIXXNJELP-UHFFFAOYSA-N 385.427 4.328 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 1157840 ODDPNWONEMZFCX-HGLKBHAMSA-N 394.290 4.296 30 50 GIEA O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1cccc(Cl)c1Cl 13144298 NUICNRUIBGARID-VGTRTNLYSA-N 384.313 4.219 30 50 GIEA CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N 170617027 NQYINTMXXFMPSJ-KKSFZXQISA-N 380.492 4.158 30 50 GIEA Fc1ccc(Br)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S 1305771 MYAORLQUVBZXFA-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2cccc(Br)c2)cc1 4832366 JFCCWLQTBFAYJX-UHFFFAOYSA-N 375.266 4.224 30 50 GIEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 5101369 GJKBLLQFNSSGEZ-JOCHJYFZSA-N 387.483 4.305 30 50 GIEA O=C1C=Cc2ccccc2/C1=N/Oc1ccc2noc3c2c1C(=O)c1ccccc1-3 12437227 ZFJLQEXYZCAOLT-ROMGYVFFSA-N 392.370 4.418 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccs2)cc1 13570933 HYHQMNHNWLJZOT-HNNXBMFYSA-N 382.466 4.296 30 50 GIEA COc1ccc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 2312073 KEKBIAXEXWMHGA-WYMPLXKRSA-N 389.480 4.381 30 50 GIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 6819594 UJZQEUKOFFUNCE-VQIMIIECSA-N 391.467 4.098 30 50 GIEA O=C(O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 19771666 VYXBOGPOYSXETO-FQEVSTJZSA-N 399.402 4.168 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F 969679 VMHFBJHOAFPKBI-MRXNPFEDSA-N 390.208 4.077 30 50 GIEA CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1C 2772352 FQCKHBUCKKZSMS-UHFFFAOYSA-N 381.910 4.377 30 50 GIEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 5727984 GNZNESXOPRDXRH-LJQANCHMSA-N 382.460 4.494 30 50 GIEA Cc1csc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@H]32)n1 230019499 MAPFOPANWXNOED-UGKGYDQZSA-N 389.528 4.322 30 50 GIEA N#Cc1ccccc1Oc1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 1875263292 HHLHLHQIVCUDGQ-UHFFFAOYSA-N 386.455 4.184 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253534496 CSBUEGHWYWGGEI-TXNNWXOMSA-N 380.532 4.306 30 50 GIEA O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Nc2ncccn2)cc1 1875263139 FXNBOLCVZAITGN-UHFFFAOYSA-N 391.434 4.267 30 50 GIEA C=CCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21 1444032 NKLOCSYADDVOFT-UHFFFAOYSA-N 379.807 4.178 30 50 GIEA Cc1ccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)cc1 629532 ZRVCZSQXKUYYIG-UHFFFAOYSA-N 381.483 4.303 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 4755110 AOMXKQMIESVQEH-LJQANCHMSA-N 391.500 4.386 30 50 GIEA CCCCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4810593 QECWRAAMTOMYGI-QGZVFWFLSA-N 380.872 4.135 30 50 GIEA COc1cc(C#N)cc(Cl)c1OCc1ccccc1I 4825752 QDDZEWPCPJWSFF-UHFFFAOYSA-N 399.615 4.404 30 50 GIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 4915468 IOHJMDAHANSTHT-QFBILLFUSA-N 379.431 4.229 30 50 GIEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccc3ccccc23)cc1 6876116 YAFDEWNCPMUHCL-HYARGMPZSA-N 389.484 4.363 30 50 GIEA CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 53291479 VCLFIHUNZNHJBW-RAXLEYEMSA-N 398.960 4.019 30 50 GIEA CC(C)[C@H]1CN(C(=O)c2ccccc2C#N)CCCN1Cc1ccc(F)cc1 71752888 GHIBFOUPSSLUMO-JOCHJYFZSA-N 379.479 4.070 30 50 GIEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 4005489 JMKJZHKMDUEINT-SGNDLWITSA-N 377.484 4.394 30 50 GIEA CCN1C(=O)/C(=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c2ccccc21 16267770 CKJUAMAQHQDFNS-RXFRRRPYSA-N 397.887 4.311 30 50 GIEA C#CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 100892965 UHUYVKBZHZMMGX-QGOAFFKASA-N 395.256 4.267 30 50 GIEA Cc1ccc(S(=O)(=O)OCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 140201098 STHFZLUOFCUSCL-UHFFFAOYSA-N 397.537 4.128 30 50 GIEA C[C@@H]1C[C@H]1c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875252284 HHYAEGJDKPRFSF-RTXFEEFZSA-N 393.468 4.482 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 19856866 MUBGRJCTQFIUBZ-VLIAUNLRSA-N 397.858 4.468 30 50 GIEA CN(C)NC(O)=Nc1cccc(N=C(O)c2ccccc2Oc2cccnc2)c1 328591273 ABMACEZYHBQOGB-UHFFFAOYSA-N 391.431 4.122 30 50 GIEA COc1ccc(/C=C2\CN(C)C/C(=C\c3c[nH]c4ccccc34)C2=O)cc1OC 200897773 JYOLPDWVAMBMQN-UBIAKTOFSA-N 388.467 4.167 30 50 GIEA C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 2929542 LPVLDIKMRILRAL-UYRXBGFRSA-N 395.505 4.109 30 50 GIEA COc1cc(N(C)C(O)=Nc2c(C)cccc2OC(F)F)cc(OC)c1OC 328596716 SNBWDNKKZPSMAB-UHFFFAOYSA-N 396.390 4.304 30 50 GIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4914438 BLFRDMHUCWXCLL-QAPCUYQASA-N 379.431 4.229 30 50 GIEA O/C(=N/[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc2n(n1)CCCO2 329966520 UZMBCCVXKMJMFF-AWEZNQCLSA-N 398.463 4.310 30 50 GIEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1F)c1ccccc1 17888693 QHSLSHKPVHUUOP-INIZCTEOSA-N 380.400 4.065 30 50 GIEA CC1=C(CC(=O)c2sccc2Br)C(=O)c2ccccc2C1=O 1383107 PDFKFXFZHYHCIS-UHFFFAOYSA-N 375.243 4.479 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 2977416 MMQFBLLJAPJRKP-SFHVURJKSA-N 392.440 4.049 30 50 GIEA COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 18116486 RMOCVIDOFRGKJJ-OAQYLSRUSA-N 380.444 4.069 30 50 GIEA Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)cc(-c3cnn(C(C)C)c3)nc2c1 63885024 LNQBXINLMUTNOP-KRWDZBQOSA-N 387.487 4.363 30 50 GIEA C=C(C)COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1 96167157 DZQSCASVIHKHQM-NRFANRHFSA-N 381.476 4.014 30 50 GIEA C[C@@H](N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105258577 VQRLBWJYBZGWPM-IGGJEDBVSA-N 382.529 4.236 30 50 GIEA COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1O 252429398 KPFUEDGYGAEQIJ-UHFFFAOYSA-N 395.271 4.137 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)cc(OC)c1 253431067 GIUBYORGZKPLAE-IFMALSPDSA-N 398.430 4.162 30 50 GIEA Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1Cl 1080173 IGWWBBKMVNCXAE-UHFFFAOYSA-N 380.300 4.285 30 50 GIEA O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cc2ccccc2o1 2262871 GLJRTLKVBBPSQM-UHFFFAOYSA-N 390.420 4.435 30 50 GIEA Cc1ccc(Cn2c[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2532612 OONZCGUGDSSCHZ-UHFFFAOYSA-N 386.431 4.077 30 50 GIEA C=C(C)Cn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 97976945 NJASEHNRRLWTRN-UHFFFAOYSA-N 392.569 4.232 30 50 GIEA C[C@H](C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 225525421 WOANPQGFUVMQGF-KWZJRMENSA-N 397.434 4.092 30 50 GIEA COc1cccc([C@@H]2CCCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)c1 952988777 PHOSATPTPKMNRM-QFIPXVFZSA-N 377.484 4.185 30 50 GIEA C[C@H]1C[C@@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 1857800768 MOPDKQWGDCIKEQ-BBRMVZONSA-N 375.432 4.104 30 50 GIEA C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@H]1CNc1ccc(C#N)nc1 1875338568 CADKKXPZRHXBGG-CRAIPNDOSA-N 390.512 4.378 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 5793604 YBOXXXHKWXQAMZ-KGENOOAVSA-N 381.505 4.345 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 245238943 CSBUEGHWYWGGEI-SPLHEJJYSA-N 380.532 4.306 30 50 GIEA CCCOc1ccc2ccccc2c1/C=N/n1c(C)nnc1-n1nc(C)cc1C 2822341 JWUZFQWYBYNHLW-OEAKJJBVSA-N 388.475 4.213 30 50 GIEA C=CCOc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 2844354 JCFRNQZFAVDBOU-VBKFSLOCSA-N 384.229 4.358 30 50 GIEA O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OCc1ccccc1Cl 4050657 YWTGGSRIDIEBCG-UHFFFAOYSA-N 376.195 4.096 30 50 GIEA O=CCCCCC[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 84316944 LGWCOUXHTAMVGR-FQEVSTJZSA-N 380.440 4.192 30 50 GIEA CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1CC=CCC1 226659363 FXJVOSSDVORWEP-MWTRTKDXSA-N 393.531 4.033 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 2679546 FIANGWFESSSLRB-UHFFFAOYSA-N 382.510 4.108 30 50 GIEA COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2/C(C)=C/C(C)=O)cc1 4811397 BAYOSZTXLRQJFP-KVDXNUTJSA-N 379.416 4.247 30 50 GIEA C=C1[C@H]2CC(=O)[C@H]([C@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC 257394617 CFUPNMDNSQIWBB-INBHSPENSA-N 390.520 4.260 30 50 GIEA endogenous,in-man COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 5008783 HNWUMPLOPXJYLQ-QPJJXVBHSA-N 377.234 4.371 30 50 GIEA C/C(O)=C/C(=O)c1c(C)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1O 18211037 XXUVXDXSPRCFEN-CLFYSBASSA-N 375.837 4.308 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 20604799 DLXRZCACOKLDQC-UHFFFAOYSA-N 393.390 4.334 30 50 GIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc(OC)c1 7781731 AAAOKRBKBMXIIE-UHFFFAOYSA-N 378.432 4.274 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CC(C)(C)CC2=O)N1 820491 QEQGQCSZHSJGPU-IBGZPJMESA-N 398.459 4.150 30 50 GIEA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 2780495 QSCHUDFULRBGIG-UHFFFAOYSA-N 388.802 4.157 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 239174428 QANGUEGDIZBQNM-YGKRLXNZSA-N 385.531 4.105 30 50 GIEA C[C@@H](CO)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 225606970 DJCOHSGBTJBDRN-ZUZCIYMTSA-N 380.673 4.151 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 2926403 QVOANCKNJKSRRY-FQEVSTJZSA-N 385.529 4.259 30 50 GIEA COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCC#N)ccc2c1=O 1915092 QPWCZCDXTNZZOA-UHFFFAOYSA-N 375.302 4.390 30 50 GIEA biogenic C/C(O)=N/[C@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 329739272 UTKRUJSBTCAXFB-NBYUQASBSA-N 383.492 4.216 30 50 GIEA Cc1cc(NC(=O)N(CCC#N)Cc2ccco2)nn1-c1cccc(Cl)c1 180383324 GRPJKOONPPNUJA-UHFFFAOYSA-N 383.839 4.375 30 50 GIEA CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1O 1187371 QWBSOUFIGKQNHN-BUVRLJJBSA-N 385.423 4.050 30 50 GIEA COc1ccc(CCNc2cc(C)c(C#N)c3nc4ccccc4n23)cc1OC 787960 MWYNEJVVRXYASN-UHFFFAOYSA-N 386.455 4.339 30 50 GIEA C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1 1220199 NBEZILFAOYZIGB-FBDWHROQSA-N 399.541 4.209 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc(C)c1 2849337 DJBHMPUZOGBBKT-UHFFFAOYSA-N 394.500 4.179 30 50 GIEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1F)c1ccccc1 17920874 QHSLSHKPVHUUOP-MRXNPFEDSA-N 380.400 4.065 30 50 GIEA C[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)c2C#N)C1 20606250 OUNLLZKXHUCYEX-RYUDHWBXSA-N 385.445 4.059 30 50 GIEA O=[N+]([O-])c1ccc(N/N=C\c2cc(Cc3ccccc3)ccc2O)c([N+](=O)[O-])c1 4951177 PLVKDVIJBABVDB-BKUYFWCQSA-N 392.371 4.245 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 5562339 KNNOOSLGQLFSIL-QGZVFWFLSA-N 398.256 4.213 30 50 GIEA COc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 19536647 SZRWSYWVOPRLOT-NRFANRHFSA-N 381.472 4.149 30 50 GIEA COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 252394325 HNDYSJUXSADAAZ-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 5045128 ZMXSNRFRMFHTFV-IBGZPJMESA-N 399.512 4.486 30 50 GIEA CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1 17991292 XAUJQBROKJNFIM-IBGZPJMESA-N 393.395 4.050 30 50 GIEA C[N+](C)=C1C=CC2=Cc3cc4c(cc3C(C)(C)C2=C1)N(CCCC(=O)O)CCC4 25758969 ZATJNJILYGVNCV-UHFFFAOYSA-O 391.535 4.188 30 50 GIEA in-vitro N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Cc1cccc(Cl)c1 98213234 ULZLUTMUKYKXIL-UHFFFAOYSA-N 389.889 4.060 30 50 GIEA Cc1ccc(S(=O)(=O)N(C)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 1775976708 OXZBQOCJCJILSG-UHFFFAOYSA-N 387.848 4.000 30 50 GIEA CC(C)CC(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl 4611122 GBPDUCXPESBPNM-AWEZNQCLSA-N 394.755 4.379 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)cc1 5793615 ZUNHECABCQQLOO-KGENOOAVSA-N 381.505 4.345 30 50 GIEA CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC/C2=N/O 100208834 UAMVBTRCGVPUDI-BKUYFWCQSA-N 392.864 4.345 30 50 GIEA C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC 2844679 XSLZZIPOACMMBO-YBEGLDIGSA-N 387.794 4.397 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccco1 2861093 AVTBLYKFINWDRN-UHFFFAOYSA-N 386.502 4.177 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OC)c(OC)c1 170615401 WTQYWMPLIGCHDX-JXFKEZNVSA-N 386.469 4.085 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(C)cc1 225512686 DZXBPKJFAQRXFM-FYYLOGMGSA-N 377.484 4.380 30 50 GIEA CCc1ncsc1N=C(O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328602549 CAJCSEZFVULDRC-FUHWJXTLSA-N 382.489 4.316 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1ccccc1F 4282292 WIFXCAFVGQXFLF-OEAKJJBVSA-N 399.491 4.176 30 50 GIEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]1 410325769 LORDWINMZVAGHT-SNVBAGLBSA-N 386.399 4.005 30 50 GIEA C(#CC1CC1)c1cccc(-c2nc(Cc3ccncc3)nn2C[C@H]2CCCCO2)c1 1875347681 CFWPIVFWCGFHIF-HSZRJFAPSA-N 398.510 4.262 30 50 GIEA C=CCC(=O)n1c(SCC(=O)c2ccc(OC)cc2F)nc2c1CCCC2 623150 ZDFJGSZILQFNEG-UHFFFAOYSA-N 388.464 4.101 30 50 GIEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 783755 SPUPGXQHYOHJHJ-VWLOTQADSA-N 383.447 4.347 30 50 GIEA N#C[C@H](C(N)=O)[C@H](SCc1ccccc1)c1ccc(Br)cc1 23549808 VIXPFPDPFIOCJJ-JKSUJKDBSA-N 375.291 4.049 30 50 GIEA O=C(O)c1ccc(N/N=C2/CCCOc3cc(Br)ccc32)cc1 1875257159 JENCOZDFXWZNLJ-HKWRFOASSA-N 375.222 4.136 30 50 GIEA C=CCc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(OC)c1O 1139341 JFWWIVWRVLMROR-NSHDSACASA-N 382.485 4.219 30 50 GIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2OC)C1=O 4663471 LPFHVDXMPUFUHH-LGMDPLHJSA-N 381.453 4.239 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 275647676 KLTZMZISEPVSOL-NRFANRHFSA-N 379.529 4.023 30 50 GIEA COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 636689 NKPHXTFMPATVND-UHFFFAOYSA-N 385.419 4.343 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccnc3)CC(=O)O4)C2=O)cc1 217931325 LONZWPOFEVAKCO-ISRVBRPNSA-N 399.402 4.147 30 50 GIEA biogenic C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 998118 NMSPECUMIPMVLI-UHFFFAOYSA-N 395.484 4.027 30 50 GIEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1F 1079598 LNDRLSFRMXXYCU-HNNXBMFYSA-N 398.365 4.401 30 50 GIEA Cc1ccc(S(=O)(=O)/N=C(\O)CSc2nc3ccccc3s2)cc1 1123135 MVPDHUMZJWGNIU-UHFFFAOYSA-N 378.500 4.042 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl 2259303 ZCEPSUKLTWAUFU-ZDUSSCGKSA-N 396.270 4.094 30 50 GIEA CCCCCC(=O)NC(=S)Nc1nc(C)c(C(=O)/C=C/c2ccco2)s1 5501963 VGEUZHPRBJYBGS-MDZDMXLPSA-N 391.518 4.334 30 50 GIEA CC1(C)OB(c2ccc(C(=O)NC3CCCCC3)c3ccccc23)OC1(C)C 170004510 VLGPRCRENUSZAO-UHFFFAOYSA-N 379.309 4.202 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnc(-c5ccncc5)s4)C[C@@H]2C3)OC1(C)C 1776003052 SITAYYXEQACQDL-KKSFZXQISA-N 397.353 4.263 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 836154 DITBGXOFWYRCHP-KRWDZBQOSA-N 386.245 4.247 30 50 GIEA O=C(/C(=N\Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1ccccc1 102262982 PMUPJSZIHBVFCF-DHRITJCHSA-N 388.267 4.488 30 50 GIEA Cc1csc([C@@H](C#N)C(=O)C[C@H]2Cc3ccc(Br)cc3C2)n1 2325794503 DRHQHUCSFZQMMU-NHYWBVRUSA-N 375.291 4.195 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)N=N1 2325892622 UNTZBDDIEQULLH-UHFFFAOYSA-N 387.443 4.208 30 50 GIEA C=C(C)[C@@H]1CC=C(CN2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)CC1 12156449 JHNOXPVPUDEOBN-AUSIDOKSSA-N 387.568 4.015 30 50 GIEA CCCCCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 409413687 RBBZSIFZZRPZPJ-QXCZDIPSSA-N 386.529 4.150 30 50 GIEA COC(=O)c1ccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCC3)o1 1000862 ATBWDYOAJMTKRZ-UHFFFAOYSA-N 382.363 4.133 30 50 GIEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(OCc2ccccc2)cc1 6061346 XPLSOTIHRVTZHW-OEAKJJBVSA-N 387.468 4.090 30 50 GIEA O=C(CC[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1)NC1CC1 11957456 HLAXWOALHPNKRH-JOCHJYFZSA-N 386.539 4.357 30 50 GIEA COc1cccc(NC2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)c1 15855854 DUMJUTPVKNRXFM-UHFFFAOYSA-N 376.456 4.320 30 50 GIEA CCn1cc(CN2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)cc1C#N 71730217 DZRUBYMIUJBOPP-QHCPKHFHSA-N 375.472 4.115 30 50 GIEA N#Cc1cccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)n1 2356155677 JAUZULTXEKVSBI-FUKQBSRTSA-N 390.506 4.014 30 50 GIEA COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)c1 719983 IDLWOIJVKPAGRK-UHFFFAOYSA-N 386.407 4.059 30 50 GIEA O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](c2cccs2)N1/N=C/c1cccs1 720623 OOYVVBRNFLBRKP-VHWUNXFSSA-N 384.442 4.318 30 50 GIEA COc1ccc(Br)cc1C=Nn1c(S)nnc1C1CCCCC1 244734546 NHSPBIKJFCKUIC-UHFFFAOYSA-N 395.326 4.268 30 50 GIEA N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)cc1 462076935 SKLHYHBZMFDFLM-UHFFFAOYSA-N 398.431 4.117 30 50 GIEA Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 6827510 SJOJTIBJUSOISZ-AATRIKPKSA-N 387.779 4.050 30 50 GIEA C[C@H]1C[C@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 1857800771 MOPDKQWGDCIKEQ-XJKSGUPXSA-N 375.432 4.104 30 50 GIEA CC[C@H](N=c1[nH]c2cccc(C#N)c2n1C)c1cc(F)cc(Br)c1 2325829947 WWQGUOUPPWDPLR-HNNXBMFYSA-N 387.256 4.332 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(OC)c1 6352780 NRVPUHCHVDEJFH-KGENOOAVSA-N 381.505 4.345 30 50 GIEA CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2C=Cc3ccccc3[C@H]2C1(C#N)C#N 169618325 PRYHLLMOEDZPCL-VJBWXMMDSA-N 383.451 4.201 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1F 225512413 BOFLBYDMPZMDEL-DENIHFKCSA-N 398.430 4.162 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 4312674 SVTIPFDBKWKWLY-OAQYLSRUSA-N 384.435 4.481 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(F)cc1 225512808 GFBQCIOHXXOYFL-IRLDBZIGSA-N 381.447 4.211 30 50 GIEA O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 100045770 AEBAYKKLSQLBDU-UHFFFAOYSA-N 396.074 4.148 30 50 GIEA in-vitro C=CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCc1cccc(C)c1 12283235 CSPXFHJYIACZBE-UHFFFAOYSA-N 396.491 4.134 30 50 GIEA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 1059677 LQKVBZOLQQBYFL-OAHLLOKOSA-N 386.546 4.415 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 6813782 PIWFESMCEYBBIS-IEBWSBKVSA-N 397.858 4.097 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(F)cc1 328597218 GACDKTWIBORZSE-IRLDBZIGSA-N 381.447 4.211 30 50 GIEA CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(Cl)c(Cl)c1 1185743 NRJSFPNTDHUAGC-NUGSKGIGSA-N 391.258 4.445 30 50 GIEA Sc1nnc(COc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1475897 VZJBIZFASNPEHH-DJKKODMXSA-N 379.272 4.335 30 50 GIEA COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 5595686 DXZRCSWCYVZROO-OAQYLSRUSA-N 385.419 4.478 30 50 GIEA COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(SC)ccc1Cl 12371510 UXQVEQTXZZRTJJ-CAPFRKAQSA-N 377.849 4.414 30 50 GIEA N#Cc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356147383 UDXKKIDRZWOUGG-NJRQHTIISA-N 399.538 4.116 30 50 GIEA Cc1cnnc(-c2ccc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)c1C 2356169647 FZRDMKSVSUEGJA-UHFFFAOYSA-N 396.494 4.458 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccsc1 2754506 XYOJOPIZDZSDRO-KRWDZBQOSA-N 377.531 4.012 30 50 GIEA C[C@@H]1C[C@@H]1c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875252282 HHYAEGJDKPRFSF-KGYLQXTDSA-N 393.468 4.482 30 50 GIEA N#CC(C#N)C1CCN(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 1875289841 UBAGRWKSDCQHDV-UHFFFAOYSA-N 386.324 4.248 30 50 GIEA C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCCC4)\c1ccccc1 1804680 ZWNIUWLEEUJKER-SSDVNMTOSA-N 377.473 4.159 30 50 GIEA COc1ccc(/C=N/N=c2\[nH]c(-c3ccc(Br)cc3)cs2)cc1 5670352 ZZBDRPLPBQZPRY-VXLYETTFSA-N 388.290 4.449 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccncc1 19761107 UIMHKPLZMQTIFC-PGRDOPGGSA-N 388.467 4.006 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cc(OC)ccc1OC 170615397 WBLWRBGDHUJOGL-REWPJTCUSA-N 394.467 4.332 30 50 GIEA N#Cc1cccnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 9295525 YEZZSBXFGLBASU-UHFFFAOYSA-N 382.670 4.100 30 50 GIEA C=CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12430971 FTMLPWDRGVEZQG-NRFANRHFSA-N 378.472 4.258 30 50 GIEA Cn1cc(/C=C2/C[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CC[C@@H]3CC2=O)cn1 118916365 MEBTWHFCEXALJM-YJJLFRDASA-N 382.548 4.386 30 50 GIEA Cc1cc(C)c(C/N=C(/O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c(O)n1 328605033 MAVSNZHSYNGAKX-AUSIDOKSSA-N 379.504 4.163 30 50 GIEA C=CCN(Cc1ccccc1OC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 55107618 YRWHTYJQSWTGFE-UHFFFAOYSA-N 389.499 4.385 30 50 GIEA CC[C@]1(C)Oc2ccc(N=C(O)N3CCC4(C3)Oc3ccccc3O4)cc2O1 329566000 OOXNDKJZPDHXLS-HXUWFJFHSA-N 382.416 4.003 30 50 GIEA O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3s2)c1 38167839 OLUGZYSLQLOETM-FRKPEAEDSA-N 393.222 4.119 30 50 GIEA C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 128529435 DDUNKDSIPHRRFV-AWEZNQCLSA-N 385.464 4.182 30 50 GIEA C=CCN1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 2355225 LJTHSTVUPOUXDG-CQSZACIVSA-N 383.854 4.379 30 50 GIEA C=CCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1 4985743 YBHJMWPQMDMRDH-UHFFFAOYSA-N 394.214 4.070 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 275611934 IXBPDBDQVXWNRP-LJQANCHMSA-N 385.558 4.084 30 50 GIEA C[C@@H]1C[C@@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 1857800769 MOPDKQWGDCIKEQ-CJNGLKHVSA-N 375.432 4.104 30 50 GIEA N#Cc1cnn2cc(CNc3cc([C@H]4CC4(F)F)cc(C(F)(F)F)c3)cnc12 1875405835 PJGXIOYOLZKLEP-OAHLLOKOSA-N 393.319 4.354 30 50 GIEA O=C(COC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 2816200 BFDOVYUHSUNWPK-UHFFFAOYSA-N 385.375 4.034 30 50 GIEA Oc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc(Cl)c1 4360401 WQNMEXBLAGODOM-CAOOACKPSA-N 384.686 4.129 30 50 GIEA COc1ccc(-c2ccc(C)c(N=C(O)N3CCC[C@H]3[C@H]3CCCO3)c2)cn1 329075314 BTTYNGKJHXXXNK-VQTJNVASSA-N 381.476 4.255 30 50 GIEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@]5(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 1857526831 DQUBYFKUBFHVEG-ZFFUITOVSA-N 387.520 4.479 30 50 GIEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 883281 JIRWHLZNTWYTFG-JOCHJYFZSA-N 377.440 4.299 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 2776274 BZCSQDFFNCHEFE-LJQANCHMSA-N 389.492 4.090 30 50 GIEA FC(F)(F)CO[C@@](F)(Br)[C@](F)(Br)C(F)(F)F 95676700 VUXWJSADJYWRST-QWWZWVQMSA-N 389.862 4.207 30 50 GIEA O=C1C=C[C@@]2(CO2)[C@@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 101143789 YZPLLVYCVKFPKP-ZEEZOPKCSA-N 392.454 4.358 30 50 GIEA C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@H]1CNc1ccc(C#N)nc1 1875338569 CADKKXPZRHXBGG-MAUKXSAKSA-N 390.512 4.378 30 50 GIEA COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1 4993644 UIVNKAZWPHHKEL-VZUCSPMQSA-N 378.380 4.412 30 50 GIEA COc1cccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)c1 6007295 ODSLLWDCYSNQNQ-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 100506731 YZCQYKMDZMEFHQ-NRFANRHFSA-N 395.499 4.482 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)c(Cl)c1 4945339 IZUBCQLZCCDFGY-LJQANCHMSA-N 389.879 4.270 30 50 GIEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 4986914 CJTBJENOFPITGG-UKRRQHHQSA-N 395.842 4.073 30 50 GIEA COc1ccc([C@@H]2CCCCCN2C(O)=Nc2ccc3nc(C)nn3c2)cc1 329775539 JGZBKDLNZBELAU-IBGZPJMESA-N 379.464 4.209 30 50 GIEA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 455916766 IYZQYSYGGZZAIA-INIZCTEOSA-N 382.895 4.317 30 50 GIEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)o1 1506409957 AZTYCGPFNADYSE-HNNXBMFYSA-N 394.496 4.032 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 19300829 CDNQCJQVSRUXHI-IBGZPJMESA-N 383.488 4.252 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccccc1Cl 12843797 WIQGEWPRQSCOCL-VYXQJKENSA-N 378.284 4.158 30 50 GIEA O=S1(=O)CCC2(CC1)C[C@H]2C(O)=Nc1ccc2nc(-c3ccccc3)[nH]c2c1 329347523 RUGBRAYIMXRWOJ-INIZCTEOSA-N 395.484 4.033 30 50 GIEA O=C1[C@H](/N=C(/O)CCc2ccnc3ccccc23)CCCN1C1CCCCC1 329807385 ABLBVFCDBFPPDA-OAQYLSRUSA-N 379.504 4.448 30 50 GIEA N#Cc1cc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cnc1C(F)(F)F 294646094 KNTSMSBVJIFDJB-QZTJIDSGSA-N 383.373 4.433 30 50 GIEA CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]12C 257358359 SZOCJNYVWVFBFU-JGLPQCJMSA-N 382.500 4.209 30 50 GIEA N#CC1(c2ccncc2)CCC(Nc2cccc(CN3CCSCC3)c2)CC1 1875304197 CXOXKZSLYQJFGY-UHFFFAOYSA-N 392.572 4.446 30 50 GIEA O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 8295264 YMOCKJOIASMJTF-NVNXTCNLSA-N 382.412 4.490 30 50 GIEA C[C@H](Cc1ccccc1Br)/N=C(/O)C[C@H](O)Cc1ccccc1 328596526 ZYDJPUGCZCLUBV-RHSMWYFYSA-N 376.294 4.330 30 50 GIEA N/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100059857 YUWFPMJYIUKACA-AWEZNQCLSA-N 394.283 4.005 30 50 GIEA CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 1178141 ZXEASXKILYTGBC-HXUWFJFHSA-N 382.460 4.494 30 50 GIEA CCCOc1ccccc1[C@H]1C2=C(CCCC2=O)NC(CC)=C1C(=O)OCC 4060210 HKOAAZAGUSECAR-FQEVSTJZSA-N 383.488 4.397 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(C)o1 4756077 PEYWGERIGNJILG-SBUREZEXSA-N 391.467 4.431 30 50 GIEA N#Cc1c(SCc2ccccc2C(F)(F)F)sc2c(O)cc(=O)[nH]c12 4945402 RMWDDPLYWNOCCQ-UHFFFAOYSA-N 382.388 4.478 30 50 GIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 6819564 CUQAOGZOLKHPLO-QUCCMNQESA-N 375.468 4.262 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1ccncc1 9295411 OUUTZHVBNQQMKE-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA C=CCC(=O)N(Cc1cccnc1)CC1CCN(Cc2ccccc2C)CC1 11820485 PAUWALRYUJWWGF-UHFFFAOYSA-N 377.532 4.207 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 719302 SERARALDUWHHHT-YJBOKZPZSA-N 389.245 4.361 30 50 GIEA C=CCNc1ncnc2sc(C(=O)NCCc3cccc(Cl)c3)c(C)c12 15005761 QFXIRWUZTMKYGU-UHFFFAOYSA-N 386.908 4.224 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccsc1 19925553 VEIIRROROXNMAY-UGSOOPFHSA-N 385.510 4.344 30 50 GIEA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 170642830 QOWJBSBIUPSFNO-DJJJIMSYSA-N 382.485 4.446 30 50 GIEA N#Cc1cccc(C2(NC(=O)[C@H]3CCn4c(cnc4C4CCCCC4)C3)CC2)c1 369845154 IFOXUTKTTHOMPA-IBGZPJMESA-N 388.515 4.170 30 50 GIEA CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1CC(C)(C)CC2=O 1422740 KJVBYIDBJQFERN-GFCCVEGCSA-N 381.303 4.429 30 50 GIEA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 12300174 BYNOROIOACOKMF-NRFANRHFSA-N 381.903 4.169 30 50 GIEA C=CCC(O)(CC=C)CN[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14953728 SYGWWNZUNBHFDC-FQEVSTJZSA-N 394.563 4.078 30 50 GIEA Cc1c(Cl)cccc1S(=O)(=O)N(C)c1oc(-c2ccccc2)nc1C#N 1857798851 DCUPGQVRDUXPJV-UHFFFAOYSA-N 387.848 4.000 30 50 GIEA CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1)c1cccc2ccccc12 1875253449 HGAIMUKGOCTXEZ-DNVJHFABSA-N 398.462 4.236 30 50 GIEA O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4085552 DVJYVUAKYRCLAW-WATITHJCSA-N 383.360 4.374 30 50 GIEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 22216039 XIJSNBGYZHMFJN-LJQANCHMSA-N 379.485 4.058 30 50 GIEA N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCN(c2ccccc2)CC1 1775976554 RUIUJWOIYUWEDX-UXHICEINSA-N 388.446 4.283 30 50 GIEA C[C@@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)Cc1cccc2ccccc12 4978556 SYGZFJUXYZNENR-CQSZACIVSA-N 382.847 4.319 30 50 GIEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 883285 JIRWHLZNTWYTFG-QFIPXVFZSA-N 377.440 4.299 30 50 GIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4914447 BLFRDMHUCWXCLL-YJBOKZPZSA-N 379.431 4.229 30 50 GIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Br)c1 6007357 HLWGMWRRQMUHLR-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(O)c(O)c1 19461100 YUOJGHZSNWJZJN-CTNGQTDRSA-N 387.435 4.140 30 50 GIEA N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc(Br)o1 18249707 DZDJZYYPHOCQEA-UHFFFAOYSA-N 392.036 4.230 30 50 GIEA O=S(=O)(/N=C(\NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 4867470 MCJHTOHYXVYODH-UHFFFAOYSA-N 376.909 4.398 30 50 GIEA C=CCc1cc(CN(C)Cc2nc(-c3ccccn3)no2)ccc1OC(C)C 55107897 GXOPGQTUZJTIQD-UHFFFAOYSA-N 378.476 4.279 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cc(OC)cc(OC)c1 253430666 FPFPYTJHFVKISD-IFMALSPDSA-N 380.440 4.023 30 50 GIEA N#Cc1ccc(OC2CCN(C(=O)Nc3ccsc3Cl)CC2)c(F)c1 287119489 KMRUKECQPQWUSQ-UHFFFAOYSA-N 379.844 4.488 30 50 GIEA Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)n2nc(C)cc2n1 777961743 MJTTUXOUZLNVBJ-UHFFFAOYSA-N 383.411 4.262 30 50 GIEA S=C(NCc1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 1185512 QMRILPKTKJOGRE-LFVJCYFKSA-N 375.497 4.264 30 50 GIEA C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(OC)c(OC)c1 4114896 LWVKVHUQXOKDPM-ZRDIBKRKSA-N 378.453 4.132 30 50 GIEA CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 4725386 JPTBYNKVTIBJOK-UHFFFAOYSA-N 394.858 4.080 30 50 GIEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 6819476 YSZDTRPWHZUCRA-BBRMVZONSA-N 381.859 4.353 30 50 GIEA CC(C)C(=O)N1c2ncccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 9482796 LNDLRKUKCKCTRB-HXUWFJFHSA-N 390.487 4.276 30 50 GIEA O=C(N1CCCCC1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576197 HWTUPPZVUGCCDA-SSDOTTSWSA-N 397.184 4.034 30 50 GIEA biogenic C=CCn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(CC)C3)cn1 92003291 NAELDGQXDKGMQY-QHCPKHFHSA-N 378.564 4.161 30 50 GIEA CN(C)c1ccc([C@@H](CNc2oc(-c3ccc(F)cc3)nc2C#N)N(C)C)cc1 1775975387 ICNNGGFGTHRAKR-HXUWFJFHSA-N 393.466 4.133 30 50 GIEA C=CCNC(=O)c1c(NC(=O)c2ccc(OCC=C)cc2)sc2c1CCCC2 3000595 PEQUPSAVBANUPG-UHFFFAOYSA-N 396.512 4.360 30 50 GIEA CCSC1=N/C(=C\c2cc(OC(C)=O)ccc2Br)C(=O)S1 4755432 SJVZTWKYOSHKSJ-GHXNOFRVSA-N 386.292 4.098 30 50 GIEA Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1240258 QXNSOMYTOBHFNR-DJKKODMXSA-N 379.272 4.335 30 50 GIEA N#Cc1ccccc1Cn1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 4048009 MWCKNBCIKNGDDP-BRJLIKDPSA-N 396.410 4.310 30 50 GIEA CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 12861093 KPXHKQLADWBUSI-WJDWOHSUSA-N 384.284 4.053 30 50 GIEA CC(C)[C@@H]1CN(C(=O)c2ccccc2C#N)CCCN1Cc1ccc(F)cc1 71752887 GHIBFOUPSSLUMO-QFIPXVFZSA-N 379.479 4.070 30 50 GIEA C=CCc1c(C(=O)OC)ccc(Br)c1OCc1c(C)noc1C 225654355 HZIQIDFUZDBIJJ-UHFFFAOYSA-N 380.238 4.148 30 50 GIEA C=CCN(Cc1ccc(OC)c(COC)c1)Cc1nc(-c2ccccc2)no1 55088678 UOBLXQKRXVKKFZ-UHFFFAOYSA-N 379.460 4.080 30 50 GIEA C#CC[C@@H](OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 170626570 OMQTZTYITVJPOT-OAHLLOKOSA-N 387.317 4.072 30 50 GIEA CCO/C(=N\C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)SC 15659947 NNWBDKTWMKFRML-BHMQALMUSA-N 396.921 4.231 30 50 GIEA CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2ccccc2)C1=O 5092625 IUYQUVGDZGRLHC-LGMDPLHJSA-N 381.453 4.239 30 50 GIEA Clc1ccc(N2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 1740038 DQCCJLGWZSIJEZ-DEDYPNTBSA-N 378.701 4.259 30 50 GIEA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 2455556 FYOSIYUKIQBEDK-QFIPXVFZSA-N 389.451 4.104 30 50 GIEA Cc1csc(N/N=C/c2cc(Br)c(O)c(Br)c2)n1 4338824 NHTBVCBRXFXIAB-LNKIKWGQSA-N 391.088 4.128 30 50 GIEA Cc1ccc(CN2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 19800696 NKLSKSQTTKYZOK-LPYMAVHISA-N 386.883 4.017 30 50 GIEA C=CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)S/C1=N\c1c(C)n[nH]c1C 6594521 LLVLGNIZKVDMFF-FESQGUELSA-N 389.550 4.265 30 50 GIEA C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229513623 KDHPHUQYGIQPGP-LTIDMASMSA-N 384.549 4.371 30 50 GIEA Cc1cc(N2CCC3(CCCN3Cc3cc(C#N)n(C)c3)CC2)c2ccccc2n1 72439296 YCNKWVKXSFZSTO-UHFFFAOYSA-N 399.542 4.388 30 50 GIEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1cccnc1 328605288 NFDKYKIQZGQXRW-KUDFPVQQSA-N 392.459 4.071 30 50 GIEA Cc1ccc([S@@+](=O)(O)Cn2c(-c3ccccc3)nc(S)nc2=S)cc1 334159360 FZRCRKPEUTZTQK-UHFFFAOYSA-P 390.535 4.261 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 170615224 ZLRZGDRPNJUBGT-PZJWPPBQSA-N 379.412 4.223 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 1221146 BSWUGTZLUADDFH-VBHHZLGVSA-N 375.856 4.033 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1F 1058103 PAIZQARVIYJCNA-UHFFFAOYSA-N 398.463 4.010 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 827883923 RXCPDDVHZPWMME-NRFANRHFSA-N 389.495 4.401 30 50 GIEA CCOc1cccc2cc(C(=O)Nc3sc(C)c(CC)c3C#N)c(=N)oc12 17077970 DODSQZDNIQCXQF-UHFFFAOYSA-N 381.457 4.367 30 50 GIEA OC(=NNc1ncnc2sc3c(c12)CCCC3)c1ccn(C2CCCC2)n1 328596135 UJUYDIBYBMREKV-UHFFFAOYSA-N 382.493 4.213 30 50 GIEA Cc1cc2c(Br)ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccc3)c2o1 785881863 ZOOUAOLJEZXQEA-OAHLLOKOSA-N 397.228 4.465 30 50 GIEA Cc1nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c(C)c1C 1234790 ZJFUYYLXUACCMK-UHFFFAOYSA-N 390.306 4.372 30 50 GIEA C[C@H](Cc1c(F)cccc1F)/N=C(/O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 329831502 SVOIRJVJIBYTKD-XTCWOQMQSA-N 394.506 4.258 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccccc1 6813715 PPUHWCYCQUSFTB-KXBFYZLASA-N 397.858 4.097 30 50 GIEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O 6819507 UKRITWHCNYLXJT-UKRRQHHQSA-N 397.858 4.059 30 50 GIEA CCCCCCCCCCCCN1C(=O)/C(=N\NC(N)=S)c2ccccc21 101131875 HBSKSNSLXZZTJM-NMWGTECJSA-N 388.581 4.491 30 50 GIEA CN(C)CCO/N=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 33938221 VDVFPECJIDUPKS-JXSDDLAKSA-N 376.585 4.324 30 50 GIEA Cc1ccc(-c2nc(CC(O)=Nc3cccc(N=C(O)NN(C)C)c3)cs2)o1 328594597 XKMKIGFBTCVANK-UHFFFAOYSA-N 399.476 4.154 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257357757 PTARAGMFTGDAST-AUXJCONYSA-N 390.520 4.024 30 50 GIEA COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc2c1OCO2 1135933 RMCSBLFICZHPPG-AUWJEWJLSA-N 385.466 4.328 30 50 GIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257359326 ZPTTUFVORSZZFO-NWVMWTAYSA-N 390.495 4.357 30 50 GIEA COc1cccc(/C=C/C(=O)c2cc(OC)c(OC)cc2Br)c1 1848444138 PMQOMLSLAWMIEU-BQYQJAHWSA-N 377.234 4.371 30 50 GIEA COC(=O)c1ccc(Br)cc1CO/N=C(\C)c1ccccc1F 1875335996 OQOFRNFDBIAESA-RGVLZGJSSA-N 380.213 4.316 30 50 GIEA COc1ccccc1C(=O)Nc1ccc2c(c1)CN(CC#Cc1ccccc1)CC2 19837048 IXRJJXRMPTUDQX-UHFFFAOYSA-N 396.490 4.357 30 50 GIEA COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(OC)cc2)C1=O 5091734 WRWOOOCCRXVVEF-DEDYPNTBSA-N 377.440 4.189 30 50 GIEA CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)cc1 5795423 SEMNUMAPJUEYDD-KEBDBYFISA-N 375.860 4.348 30 50 GIEA C#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 11843737 AAQMCUKSSFKMQZ-GOSISDBHSA-N 385.385 4.422 30 50 GIEA CCN1C[C@@H](c2ccccc2)NC1=NCc1ccc2cc(OC)c(OC)cc2c1 2325863621 QDAXMBAWAYRKTC-NRFANRHFSA-N 389.499 4.379 30 50 GIEA C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCC1(C)COC1 14984392 PDAOUVQDSZCBLY-UHFFFAOYSA-N 378.925 4.214 30 50 GIEA CCOC(=O)C1(CCOc2ccccc2)CCN(CC#Cc2ccccc2)CC1 55133677 JXEXVGDPLCUJIN-UHFFFAOYSA-N 391.511 4.153 30 50 GIEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 1857798948 HEJNZTNLLXBFJZ-MOPGFXCFSA-N 375.428 4.317 30 50 GIEA O=C(Oc1ccc(/C(=N/O)c2ccccc2)cc1)c1ccc(Br)o1 5368923 NZCLLOQQOPAUQJ-LVZFUZTISA-N 386.201 4.488 30 50 GIEA CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95707714 ZESCSNXJAROIJS-UHFFFAOYSA-N 392.111 4.288 30 50 GIEA in-vitro CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(C)c2C)Sc2ccccc2N1 100742263 UUCWPRWAEATLDQ-UHFFFAOYSA-N 380.469 4.220 30 50 GIEA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253531308 IMHWUDTYEQIITA-YPWHEQNXSA-N 380.532 4.306 30 50 GIEA Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 331397041 KVRUMRYIWBXBHJ-INIZCTEOSA-N 381.398 4.080 30 50 GIEA Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 980603 VISUPEWIUZEVEJ-UHFFFAOYSA-N 397.430 4.475 30 50 GIEA C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 1819423 OZZNCTBNCIOMAM-YBEGLDIGSA-N 384.775 4.158 30 50 GIEA CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2cccnc2)C1=O 4486181 TZRVSEQGVZEDQY-GDNBJRDFSA-N 386.860 4.279 30 50 GIEA CC1(C(=O)Nc2cnc3c(c2)CCC3)CCN(c2ccc(Cl)cc2C#N)CC1 1875256816 DTCCADSDNBRRTR-UHFFFAOYSA-N 394.906 4.341 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccco1 1117618 JHESHQGJKDGYKA-KRWDZBQOSA-N 383.787 4.305 30 50 GIEA Cc1ccc(CN2CCN(/C=C/C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 20028610 WHMFKZHKSPFCSN-ZHACJKMWSA-N 386.442 4.111 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnn(-c5ccc(F)cc5)c4)C[C@H]2C3)OC1(C)C 1875368872 SIOVXLPSAHWSKU-VGSWGCGISA-N 397.303 4.070 30 50 GIEA Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(-c3cccc(Cl)c3)o2)n1 2744271 JXRWEDBVTMZXQG-SRZZPIQSSA-N 380.839 4.185 30 50 GIEA CC(C)/N=C(/O)c1cnn2c1C[C@H](C/N=C(/O)Cc1cccc(Cl)c1)CC2 328606113 QMHOZMCFNZXYRA-OAHLLOKOSA-N 388.899 4.011 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 17146999 PIWFESMCEYBBIS-MJGOQNOKSA-N 397.858 4.097 30 50 GIEA C=C(C)CNC(=S)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 20472473 DMPPSCLGQFWUKA-NRFANRHFSA-N 399.991 4.498 30 50 GIEA C=CC[C@@H]1N(C(=O)c2nn(CCCC)c(=O)c3ccccc23)CCCC1(C)C 225512226 GKHBFMXCTILLEZ-IBGZPJMESA-N 381.520 4.404 30 50 GIEA COc1cc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc(OC)c1OC 4858666 YKILRTFMQOBGCR-CMDGGOBGSA-N 383.448 4.123 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118921947 AKMGOLMVBIBATQ-PNNGYBRVSA-N 382.548 4.386 30 50 GIEA C[C@H](/C(O)=N/CC1CCCCC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 329144692 NETQEEZMWQEXJX-QUCCMNQESA-N 389.584 4.026 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1cccs1 8740719 UOAOXKCFKMDDSC-GOSISDBHSA-N 394.427 4.061 30 50 GIEA C#CCN1C(=O)S/C(=C\c2c(OCC)ccc3ccc(OCC)cc23)C1=O 15011130 COKJLAYIXFVSTO-UYRXBGFRSA-N 381.453 4.307 30 50 GIEA CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC 4368688 WWYRYCUUANOJHX-FQEVSTJZSA-N 396.491 4.124 30 50 GIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4914460 BLFRDMHUCWXCLL-MAUKXSAKSA-N 379.431 4.229 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(C)c1 170615229 IBJWFGBPTCFLQP-GMAHTHKFSA-N 394.467 4.332 30 50 GIEA C=C(C)CN1CCN(c2cc(CCC)nc3c(-c4ccccc4)cnn23)CC1 5322241 PTJHUPSSQHNVFZ-UHFFFAOYSA-N 375.520 4.047 30 50 GIEA N#CCc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 16607483 CNOJPVPYIQBFAF-UHFFFAOYSA-N 385.870 4.396 30 50 GIEA C=CCc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1O 19849108 YHHQISCCIKLQSB-NLRVBDNBSA-N 385.511 4.426 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)N=N1 2325892166 CMVLVWDLYOBCOW-MRXNPFEDSA-N 380.492 4.161 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccccc1 18120119 PPUHWCYCQUSFTB-BEFAXECRSA-N 397.858 4.097 30 50 GIEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 225495508 AAASQGZXSCFKMN-LPHOPBHVSA-N 388.558 4.455 30 50 GIEA CCO[C@@H]1C[C@H](/N=C(/O)c2c[nH]nc2-c2ccc(Cl)s2)C12CCOCC2 330333933 YLSOCTQQXCXFIY-UONOGXRCSA-N 395.912 4.070 30 50 GIEA C#CCOc1cc(Br)c(CNCCc2ccccc2)cc1OCC 20500941 BHXAWWFOGKWNQW-UHFFFAOYSA-N 388.305 4.192 30 50 GIEA CCOC(=O)Cc1cccc(N=C(O)c2ccc(Oc3ccccc3)nc2)c1O 328589440 ZSPHZWSLLFXQCL-UHFFFAOYSA-N 392.411 4.321 30 50 GIEA CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NCC(C)(C)CN(C)C)cc2)n1 534631046 NJDFEYQQBDGUFO-UHFFFAOYSA-N 378.520 4.061 30 50 GIEA O=C(O)c1cc(F)cc(C2(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)c1 2325877011 HLQLJAVZROSMII-UHFFFAOYSA-N 399.421 4.343 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccc(F)cc1 6701288 NLHZKPSOWFDZME-UHFFFAOYSA-N 382.395 4.104 30 50 GIEA C#CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19972686 GDGOQILQADJGNR-UHFFFAOYSA-N 381.859 4.053 30 50 GIEA Cc1ccc(O)c(/C=N/n2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 22017156 HUXQPFOYQVKPSJ-SSDVNMTOSA-N 375.453 4.330 30 50 GIEA CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257355417 APAJGQRLHCDZTD-RCRWJJQLSA-N 384.516 4.001 30 50 GIEA N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 101817378 JXXIPFXSLCWZLE-VSKRKVRLSA-N 383.426 4.206 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 1058765 YKECTBYPORSDJE-UHFFFAOYSA-N 398.463 4.010 30 50 GIEA CN(c1oc(C2CCCCC2)nc1C#N)S(=O)(=O)c1ccccc1Cl 2050025198 YZAJXFBJXJSMIZ-UHFFFAOYSA-N 379.869 4.072 30 50 GIEA C=CCn1c(SC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 1077457 FICWBWYHUDOOCQ-ZDUSSCGKSA-N 376.547 4.184 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1cccc(OC)c1 1440877 PQSYMEZHCDDXSL-UTKZUKDTSA-N 383.419 4.066 30 50 GIEA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)C[n+]3ccccc3)CC[C@H]12 253500704 JCXKLDMPWBYJSG-WGHDKNDMSA-N 394.579 4.483 30 50 GIEA O/C(Cc1cn2cc(Cl)cc(Cl)c2n1)=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 328845005 QCXWNZHSPHRRNT-IAOVAPTHSA-N 394.302 4.488 30 50 GIEA N#CC1(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CCOCC1 109138446 SBHUFNZUKPNHSX-UHFFFAOYSA-N 396.299 4.300 30 50 GIEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521975 DOPVKKIPWGJKND-UFFVCSGVSA-N 396.299 4.031 30 50 GIEA N#Cc1nc(COc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 1108651 DSPRRUXFCCPISL-UHFFFAOYSA-N 394.862 4.105 30 50 GIEA COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccccc2)cc1 55439952 FOWLYWQEJKGHDY-LIMMBSDMSA-N 399.494 4.462 30 50 GIEA Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3(C#N)CCCCC3)cc12 216752343 QUABKMKTWHDJSC-UHFFFAOYSA-N 378.501 4.411 30 50 GIEA Cc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 1202861 IKGSBUQMIYRYJE-ZHACJKMWSA-N 381.526 4.333 30 50 GIEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(O)cc2)C(=O)C1 100007263 UUYLMKHBSNLPBD-IBGZPJMESA-N 384.472 4.251 30 50 GIEA COc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1OC 1138687 RSYZKRFYWNKKIF-BQYQJAHWSA-N 380.213 4.414 30 50 GIEA CCN(CC)CC#CC[C@@](O)(c1ccccc1)c1ccc(Br)cc1 1825781 BIVQRTYNZAKORQ-OAQYLSRUSA-N 386.333 4.420 30 50 GIEA C=CCOC(=O)COc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 2811942 HXSVBAGHUJAJMT-UHFFFAOYSA-N 398.842 4.454 30 50 GIEA N#Cc1ccccc1-c1ccc(COC(=O)c2nnc(O)c3ccccc23)cc1 913297275 TXSAFMGCZZRRBO-UHFFFAOYSA-N 381.391 4.231 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 5045127 ZMXSNRFRMFHTFV-LJQANCHMSA-N 399.512 4.486 30 50 GIEA O=C(N1CCCCC1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576195 HWTUPPZVUGCCDA-ZETCQYMHSA-N 397.184 4.034 30 50 GIEA biogenic COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1cccnc1 328605289 NFDKYKIQZGQXRW-WJPUGNRLSA-N 392.459 4.071 30 50 GIEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1115367 PAVJTIPCYJHRCM-UHFFFAOYSA-N 393.531 4.495 30 50 GIEA CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 8426367 GFTIPEQCXPZETN-UHFFFAOYSA-N 380.558 4.066 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1 170615206 KLXNLCJBWBQLQU-RBBKRZOGSA-N 398.430 4.162 30 50 GIEA COc1ccccc1OCCN(C)CCC[C@@]1(C#N)CCOc2ccccc21 627634 KZLUCCANDBUTHX-QHCPKHFHSA-N 380.488 4.030 30 50 GIEA CCCOc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC 2885173 SVMPVVQBSJFGLK-JOCHJYFZSA-N 394.471 4.228 30 50 GIEA C=CCSC1=N/C(=C\c2cc(OC(C)=O)ccc2Br)C(=O)S1 3003697 AJJZSACDCWKMGJ-JYRVWZFOSA-N 398.303 4.264 30 50 GIEA CC(C)(C)OC(=O)N1CCCc2ccc(CCCCN[C@H]3CC[C@H](C#N)C3)nc21 2325801720 SZGFGDXENFBVFW-PXNSSMCTSA-N 398.551 4.374 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1 217661226 LOMSSWFBGZSYEN-VXIUPONVSA-N 388.375 4.345 30 50 GIEA biogenic CC(C)Oc1ccc(Br)cc1C(=O)/N=C(/N)NC1CCCCCC1 71782570 JSGORCKVKOCJLY-UHFFFAOYSA-N 396.329 4.004 30 50 GIEA C#CCCC1(CCC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)N=N1 2325892004 WZTJGSNPMUQHRM-UHFFFAOYSA-N 399.882 4.083 30 50 GIEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)C)cc1 632591 OARGZVVSVPNMRW-GOSISDBHSA-N 383.488 4.300 30 50 GIEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/Cc1ccc(F)c(CN(C)C)c1 328606698 SLFARLQTOCVYJK-AUSIDOKSSA-N 398.478 4.093 30 50 GIEA C[C@H](OC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1cccc(C#N)c1 756539321 ZFOSEYVNHDGLKW-ZDUSSCGKSA-N 396.244 4.424 30 50 GIEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(-c2cc(OC)c3c(c2)OCO3)oc1C 11944672 MXOBUWXVQOSKFE-RHSMWYFYSA-N 382.460 4.482 30 50 GIEA Cc1ccc(S(=O)(=O)/N=C(\Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6229160 POVWZYVKYIDRRZ-UHFFFAOYSA-N 395.440 4.151 30 50 GIEA C#CCCC1(CCOC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=N1 2325900384 WGXWGAHSBCRFGW-SFHVURJKSA-N 399.491 4.021 30 50 GIEA C=CCSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 4845242 RDLPSMBDYHETII-WMZJFQQLSA-N 384.276 4.067 30 50 GIEA O=[N+]([O-])c1cc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)ccc1Cl 6225541 QASCKHKUDBGLAX-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 19536329 OMTLPFOXLUOKRQ-OAQYLSRUSA-N 383.488 4.393 30 50 GIEA C=CCc1cccc2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc12 4626098 PMZYQBVFMLGJBV-INIZCTEOSA-N 399.450 4.198 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1cccc(Cl)c1 6222233 PHNSNVNCVAXHHV-VYXQJKENSA-N 378.284 4.158 30 50 GIEA N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]cn3)CC2)cc1 241810002 SCJKGGFRQBPPPV-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 4477817 GBNFCUHEVIIMBZ-VBKFSLOCSA-N 396.424 4.138 30 50 GIEA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 19775018 KYKSDGPJNNCXRH-LJQANCHMSA-N 375.415 4.132 30 50 GIEA N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)c1ccc(Cl)cc1 238937278 UXIYKGDULHCLNU-UHFFFAOYSA-N 379.224 4.353 30 50 GIEA Clc1ccc(N2CCN(N=Cc3cccc(Br)c3)CC2)cc1 239038656 DQCCJLGWZSIJEZ-UHFFFAOYSA-N 378.701 4.259 30 50 GIEA C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccn1 2395714 BJCMFFJQWHFSIF-UHFFFAOYSA-N 393.516 4.128 30 50 GIEA CCCSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 4914871 OUHLAWOTJIHAFI-WMZJFQQLSA-N 386.292 4.291 30 50 GIEA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1ccccc1C 100356174 WSAYWRVGEMMYTB-NKFKGCMQSA-N 375.457 4.309 30 50 GIEA CCOc1ncccc1N=C(O)/C=C/C=C/C(O)=Nc1cccnc1OCC 328592772 FMCJMKTZHXFKDU-YDWXAUTNSA-N 382.420 4.263 30 50 GIEA C=CCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 12343764 UIGVEVDURDFGIL-MSUUIHNZSA-N 384.526 4.123 30 50 GIEA CC(C)O[C@@H]1C[C@@H](/N=C(/O)C2(c3cncc(Br)c3)CC2)C1(C)C 328684109 WOQSPISYMMCYSY-HUUCEWRRSA-N 381.314 4.424 30 50 GIEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)SC1=S 4687812 AQEXHUUGPLXJMY-BOPFTXTBSA-N 398.509 4.180 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 5586880 LEAAFOOFDQNEFN-SFHVURJKSA-N 394.456 4.034 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 9087740 SYLSFEGJOFDZEQ-LJQANCHMSA-N 383.419 4.213 30 50 GIEA Cc1c(C#N)c(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)nc2ccccc12 1857707572 DHUJJLXXDCNWLJ-DYESRHJHSA-N 393.531 4.340 30 50 GIEA COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c(=O)oc12 1054899 BYZPEVHDRJKYAY-LLVKDONJSA-N 394.452 4.112 30 50 GIEA CC[C@@H]1CN(/C(O)=N/[C@@H]2CCOC3(CCOCC3)C2)CC[C@H]1c1ccccc1 330202972 AKDLOIQWRMGOPC-HMXCVIKNSA-N 386.536 4.144 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 170615226 ZLRZGDRPNJUBGT-TZIWHRDSSA-N 379.412 4.223 30 50 GIEA O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccc(Br)cc1 1090763 RUKLOBYASUCINF-PYCFMQQDSA-N 381.229 4.454 30 50 GIEA COC(=O)c1ccc(C/N=C(/O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)nc1 328591374 UHLQCVHGBFNLCT-JTQLQIEISA-N 383.231 4.099 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F 1196943 LVWLYXDVWGQALY-MRXNPFEDSA-N 379.309 4.334 30 50 GIEA COc1ccc(CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1OC 1220084 FEKLWXJKWJBYMO-UHFFFAOYSA-N 385.463 4.076 30 50 GIEA C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1cccc(C)c1 12191730 ZNEBLDULNILWKT-UHFFFAOYSA-N 384.530 4.056 30 50 GIEA N#Cc1c(-c2ccc3[nH]ccc3c2)cc(-c2ccc(N3CCOCC3)cc2)nc1N 71776346 WJCIUYSJTFRLOI-UHFFFAOYSA-N 395.466 4.187 30 50 GIEA COc1cccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c1OC 217827144 YXBCZGUFUWFAMU-CQSZACIVSA-N 380.396 4.014 30 50 GIEA biogenic CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/Cc2cccc(OC(F)F)c2)cn1 328627334 MQWHNMNJUQUCFU-DLBZAZTESA-N 379.407 4.300 30 50 GIEA COc1ccc(C(=O)/C=C/c2cnc(-c3ccsc3)s2)cc1CC(=O)O 1776131889 TXPHVTHRPCOQJQ-ONEGZZNKSA-N 385.466 4.403 30 50 GIEA N#Cc1cccc(-n2nc(CCCO)nc2-c2ccc(Cc3ccccc3)cc2)c1 1875347570 QAEQJQODSQXFQC-UHFFFAOYSA-N 394.478 4.322 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl 8565584 CHCNZKBGTSMEGO-MRXNPFEDSA-N 384.844 4.439 30 50 GIEA CCOc1cc(C#N)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 1080809 AZFHRHQTCMSMRN-UHFFFAOYSA-N 389.795 4.170 30 50 GIEA CCOC(=O)c1sc2nccc(OC)c2c1N/C=N/OCc1ccccc1 4002349 BMVHXXHDGCUUBY-UHFFFAOYSA-N 385.445 4.054 30 50 GIEA N#CCCCn1cc(C(=O)Nc2c[nH]nc2-c2nccs2)c2ccccc21 446602092 ROIDHUPWWUQROF-UHFFFAOYSA-N 376.445 4.044 30 50 GIEA C/C(=N\NC(N)=S)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253498876 AKPCCIPQFSCLFK-FZGAEVKZSA-N 389.609 4.135 30 50 GIEA biogenic CC(C)(C(=O)Nc1ccc2c(c1)NC(=O)CCC2)c1ccc(C#N)c(Cl)c1 2325791717 WPOFLECUVYWECX-UHFFFAOYSA-N 381.863 4.403 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)N=N1 2325892165 CMVLVWDLYOBCOW-INIZCTEOSA-N 380.492 4.161 30 50 GIEA COc1ccccc1N1CCN(CC#CCOc2cc(C)ccc2C(C)C)CC1 20406319 LSKLWQLYXDPQCH-UHFFFAOYSA-N 392.543 4.331 30 50 GIEA CC[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C)s3)c2C#N)C1 6489708 LQGYACDDTLBGNI-JTQLQIEISA-N 378.548 4.025 30 50 GIEA CC(C)(O)C#Cc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 952861266 ZWEAONHJPVWHHI-UHFFFAOYSA-N 385.866 4.406 30 50 GIEA C=CCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccc(OC)cc1 2836168 UUWQSSMXFKMCQW-UHFFFAOYSA-N 379.243 4.170 30 50 GIEA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 14969832 JPLCSPWCKWVUMP-FQEVSTJZSA-N 381.541 4.274 30 50 GIEA C=CCN1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cnc(CCC)nc2)C1 65407027 DTMBQICMRJPGMN-LJQANCHMSA-N 387.531 4.468 30 50 GIEA C[C@@H]1C[C@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 2050025074 RIBJFKHCXQKAFB-MLGOLLRUSA-N 393.422 4.243 30 50 GIEA CCc1c(C)sc(NC(=O)COc2ccc(Br)cc2)c1C#N 1054647 VPBNAFSZHMYQMA-UHFFFAOYSA-N 379.279 4.271 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 6819703 UENDKUZODGGNTQ-YJBOKZPZSA-N 381.859 4.353 30 50 GIEA CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N 170617031 NQYINTMXXFMPSJ-HRAATJIYSA-N 380.492 4.158 30 50 GIEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)C1 239164996 NHOLDGJSIDSXOK-CAAARAIESA-N 398.528 4.232 30 50 GIEA CC(=O)N1CCN(/C(O)=N/Cc2c(C)oc3ccccc23)CC12CCCCC2 329824185 HSOBZWOEWZRZBX-UHFFFAOYSA-N 383.492 4.022 30 50 GIEA N#Cc1ccc2cc(C(=O)Nc3n[nH]cc3-c3ccc4c(c3)OCO4)ccc2c1 1875253691 IFXVAEFPSVWZQB-UHFFFAOYSA-N 382.379 4.083 30 50 GIEA CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OC 780231 XMDZJLNOYMPSGQ-UHFFFAOYSA-N 381.472 4.137 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 2776299 MIYNKWDKXBXMJY-LJQANCHMSA-N 389.492 4.090 30 50 GIEA CCOc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 20470048 WRNMLJCCOUUERQ-OZNQKUEASA-N 377.484 4.466 30 50 GIEA O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 5649475 JMTJBFCFLDSNMF-UFWORHAWSA-N 393.255 4.121 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 18116892 WQXWYBGJIKUJQL-SFHVURJKSA-N 398.459 4.152 30 50 GIEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1F 1079596 LNDRLSFRMXXYCU-OAHLLOKOSA-N 398.365 4.401 30 50 GIEA COc1cccc2c1OCCCN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2 824804908 UIIARSAYBACPSV-UHFFFAOYSA-N 391.467 4.013 30 50 GIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C 263617573 ONKUMRGIYFNPJW-SVQHGHLLSA-N 384.516 4.426 30 50 GIEA in-vitro COc1ccc(/C(N)=N/OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 4184131 CWOTXTPBYYTSAR-UHFFFAOYSA-N 397.434 4.388 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)cc1 11843179 AYHVXDMDWRTPKQ-AREMUKBSSA-N 391.555 4.016 30 50 GIEA O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc2ccccc12 13942577 CDJCUMVPZLDIRS-SFHVURJKSA-N 375.453 4.088 30 50 GIEA Cc1cc2nc(NC3CCN(Cc4cccc(C#N)c4)CC3)c3ccccc3n2n1 845760348 CNPHQZNSBIHNLE-UHFFFAOYSA-N 396.498 4.139 30 50 GIEA Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](CNc2ccc(C#N)nc2)C1 1875338833 NIHVQBZZFJQCNO-RTBURBONSA-N 376.504 4.106 30 50 GIEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 5130618 RMAFAUCLWQNBGO-QFIPXVFZSA-N 387.483 4.305 30 50 GIEA COc1ccc(NC2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 16156592 AQTRZODJDAHDEI-UHFFFAOYSA-N 376.456 4.320 30 50 GIEA N#Cc1cnn2c(O)cc(CN[C@@H](c3ccccc3Cl)C3CCCCC3)nc12 2325849860 CCODPVPDNZWXQV-HXUWFJFHSA-N 395.894 4.371 30 50 GIEA COc1cc(OC)c(C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 4252505 GKRFADZHHSTWCF-BQYQJAHWSA-N 377.234 4.371 30 50 GIEA C#CCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)c2ccccc21 1066802 YXMFSBJSHCBFFU-VWLOTQADSA-N 389.495 4.041 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(O)c1 1126560 RSLLMOBPNUGONJ-UHFFFAOYSA-N 381.472 4.071 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1)S(C)(=O)=O 2873163 NVDXKXVLSYWANH-UHFFFAOYSA-N 386.517 4.016 30 50 GIEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4914553 JLWOTHVNHCFGHM-LPHOPBHVSA-N 379.431 4.229 30 50 GIEA O=[N+]([O-])c1ccc(NN=C2CCC(=NNc3ccc([N+](=O)[O-])cc3)CC2)cc1 4955554 OCLSQKOXLYOFIB-UHFFFAOYSA-N 382.380 4.313 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OC 170618122 GIQCVMVVYQZDKU-XMSQKQJNSA-N 380.440 4.023 30 50 GIEA C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC 257394616 CFUPNMDNSQIWBB-BLRTXXQBSA-N 390.520 4.260 30 50 GIEA endogenous,in-man O/C(=N/[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc2n(n1)CCCO2 329966521 UZMBCCVXKMJMFF-CQSZACIVSA-N 398.463 4.310 30 50 GIEA C#C[C@@H](OC(=O)c1cc(NC(N)=O)ccc1Cl)c1ccc(Cl)cc1F 2325823950 JMRXLPKCNWDXDJ-OAHLLOKOSA-N 381.190 4.154 30 50 GIEA C=CCn1c(CNC(=O)CC2CCCC2)nnc1SCc1cccc(C)c1 12454625 KKZKTMAOACUNAM-UHFFFAOYSA-N 384.549 4.261 30 50 GIEA COc1ccc(CC/N=C(/S)N2CCC(Cc3ccccc3)CC2)cc1OC 13497337 CQMPOIUZHXUTKM-UHFFFAOYSA-N 398.572 4.487 30 50 GIEA Clc1ccc(CN2CCN(/N=C/c3ccc(Br)s3)CC2)cc1 19791100 VODDMAZZKKYCHC-YBFXNURJSA-N 398.757 4.316 30 50 GIEA C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)c(C)c2c1=O 628714 WBJPKPIBYFXCHO-UHFFFAOYSA-N 376.528 4.297 30 50 GIEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc2c(c1)OCO2)OCO3 4127507 XJIYBIVFOVAJJV-OAQYLSRUSA-N 391.423 4.345 30 50 GIEA N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(c3cccc4cnccc34)CC2)cc1 370043418 RGHREVFHWRQWKW-QFIPXVFZSA-N 394.478 4.195 30 50 GIEA CCOC(=O)N[C@H](NC(=S)N=C1CCCCCC1)C(Cl)(Cl)Cl 5592201 FVSNUGSMRBPEFG-JTQLQIEISA-N 388.748 4.099 30 50 GIEA CC#CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12763302 GHTWDTJNXITDAI-IBGZPJMESA-N 385.467 4.035 30 50 GIEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 2055192 RMCMBHDTRLKYRL-OAQYLSRUSA-N 397.515 4.179 30 50 GIEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C 2755497 GSBNSQWQHIWMAB-NRFANRHFSA-N 397.515 4.179 30 50 GIEA COC(=O)c1sccc1NN=C1c2cc(OC)ccc2-c2ccc(OC)cc21 4588016 QBERUXGPCKCHEH-UHFFFAOYSA-N 394.452 4.397 30 50 GIEA C/C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)c1cccc(Br)c1 4750948 WATCJOJBJBBRCP-UFFVCSGVSA-N 381.237 4.105 30 50 GIEA CCCCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4810594 QECWRAAMTOMYGI-KRWDZBQOSA-N 380.872 4.135 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 15987918 FXYVQEBSLLXIRR-JLPGSUDCSA-N 393.922 4.299 30 50 GIEA CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 16688527 HBRBBCPACXHGRX-GIJQJNRQSA-N 395.209 4.143 30 50 GIEA O/C(=N/CCc1cccs1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328606525 RXLHMLBPMLLMEH-HKUYNNGSSA-N 385.464 4.350 30 50 GIEA N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 1875342108 XZIBXIUHSQQNGR-NSHDSACASA-N 384.764 4.455 30 50 GIEA C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)SC1=S 1122769 QDBHPVRPHIGRJS-ATVHPVEESA-N 399.468 4.432 30 50 GIEA C=CCn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nc2ccccc2c1=O 4986225 LDWNPBIGQFRCHE-UHFFFAOYSA-N 387.848 4.436 30 50 GIEA C=CCOc1ccc(CN2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)cc1OC 1704339354 RJUQXXVOLOIYEL-KJWPAHLWSA-N 393.527 4.380 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6780800 XCMAMNLOQUXQIG-KRWDZBQOSA-N 398.802 4.013 30 50 GIEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccc(Cl)cc1Cl 170623820 XDHKMJPWBFQQRZ-UHFFFAOYSA-N 393.251 4.494 30 50 GIEA Cc1ccc2nc([C@H](NC3CCN(c4cc(C#N)ccn4)CC3)C(C)C)[nH]c2c1 95520538 DDZSARQFDHRSFK-JOCHJYFZSA-N 388.519 4.094 30 50 GIEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O 6819506 UKRITWHCNYLXJT-HIFRSBDPSA-N 397.858 4.059 30 50 GIEA C#CCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 6229921 OIGHXQREILSZFZ-UHFFFAOYSA-N 380.407 4.347 30 50 GIEA CCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8398606 PDSPMQFEKFILPM-UHFFFAOYSA-N 394.585 4.456 30 50 GIEA COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccccc1)C3=O 253407690 KBLKPEHHGARVMN-UEXNTNOUSA-N 399.402 4.499 30 50 GIEA biogenic C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 1128893 FCMQMQOPEFCZAN-LICLKQGHSA-N 383.429 4.225 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccccc1 3283128 VLDNCJKITVHCIY-UHFFFAOYSA-N 392.484 4.065 30 50 GIEA C=C(C)COc1ccccc1[C@H]1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21 65394985 XSDQDXQWVJNLKJ-MRXNPFEDSA-N 380.444 4.083 30 50 GIEA Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC1CCN(C)CC1 486271232 FVMGFCYSFSUHFK-UHFFFAOYSA-N 379.479 4.271 30 50 GIEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 228984251 DLCYCARPLWRRSS-UHFFFAOYSA-N 387.207 4.352 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccsc1 19925555 VEIIRROROXNMAY-FZKQIMNGSA-N 385.510 4.344 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ccccc2c1=O 1148470 LGFVNIWOKJMBKJ-UHFFFAOYSA-N 399.903 4.275 30 50 GIEA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2cc(C#N)ccn2)C1 95519496 QACHFTSFBWVBTM-HNNXBMFYSA-N 398.894 4.251 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 5586878 LEAAFOOFDQNEFN-GOSISDBHSA-N 394.456 4.034 30 50 GIEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC23C(=O)CC(C)(C)CC3=O)cc1 994956 UOHWGFGFGIUWCZ-OAQYLSRUSA-N 396.483 4.149 30 50 GIEA biogenic C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C(/C)c1ccc(F)cc1 1191384 SNDMMDCMXTYNSM-WXAOKWDESA-N 381.476 4.278 30 50 GIEA C=CCN1C(=O)/C(=C\c2ccccc2)N=C1SCC(=O)c1ccc(OC)cc1 5670391 YFWHMZILMFRFMD-XMHGGMMESA-N 392.480 4.036 30 50 GIEA C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 12343874 FCULYEJQZHUHHE-UYRXBGFRSA-N 379.437 4.171 30 50 GIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 2069396 YLEJOHKQTBYRDW-OAQYLSRUSA-N 381.472 4.171 30 50 GIEA CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CCC3)cc1OC 4062147 QUMUZJLMOYNZLA-OAQYLSRUSA-N 399.487 4.015 30 50 GIEA COc1ccc(Nc2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)cc1 4838999 IRYKVJPUTRCCSD-VZUCSPMQSA-N 377.400 4.486 30 50 GIEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 217994929 QBLWIUDOMVUYBN-HDOAHBKWSA-N 399.402 4.147 30 50 GIEA biogenic COc1cc(C#N)cc(I)c1OCc1cccc(Cl)c1 2878152 BRICOHRYQZHRJV-UHFFFAOYSA-N 399.615 4.404 30 50 GIEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 18113415 UIAFVGXJOGXMDC-FQEVSTJZSA-N 379.485 4.058 30 50 GIEA CN(C)c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2341108 AIAWKGJXYBOXFS-KEBDBYFISA-N 392.315 4.489 30 50 GIEA C[C@@H](CO)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 225606910 DJCOHSGBTJBDRN-BONVTDFDSA-N 380.673 4.151 30 50 GIEA C[C@@H]1CCc2c(sc(NC(=O)c3cc(-n4cnnc4)ccc3Cl)c2C#N)C1 4857374 AUENRYWZEBUMLO-LLVKDONJSA-N 397.891 4.231 30 50 GIEA N#Cc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)nc1 781055204 JXGRSVYUMQMFOD-UHFFFAOYSA-N 388.374 4.026 30 50 GIEA CN(C)N1C(=O)C[C@@H](c2ccccc2F)C2=C1C[C@H](c1ccccc1)CC2=O 1430555 JIKXBJZHSLCNTP-WMZOPIPTSA-N 378.447 4.019 30 50 GIEA CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(CC)nc1 71765542 KWOYMPJZBIXXFX-AWEZNQCLSA-N 379.508 4.180 30 50 GIEA COc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCCC2)cc1 1775976434 MEMBQBACRRAVJA-LJQANCHMSA-N 392.459 4.454 30 50 GIEA CC1(C)OB(c2ccccc2COc2ccc(Br)cc2)OC1(C)C 380819007 WWDGQRLZLXUVBL-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c(OCC=C)c1 2850066 LPTKOZXUMZUKIC-UYRXBGFRSA-N 379.387 4.300 30 50 GIEA CCOc1cc(C#N)ccc1OCc1ccccc1I 4824859 CHDVRUGNPZGJTQ-UHFFFAOYSA-N 379.197 4.141 30 50 GIEA Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc(Br)s1 6056303 WWDWQMOXOPVJCP-LZYBPNLTSA-N 379.308 4.248 30 50 GIEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2c(F)cccc2Cl)cc1 8970196 XKPMYVNGYBSUQR-KEBDBYFISA-N 391.859 4.003 30 50 GIEA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 649920 YQPZZHWFLMDIJP-UHFFFAOYSA-N 382.411 4.051 30 50 GIEA Cc1ccc(C#N)cc1N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O 328594859 DPKZVRLNSHNYIR-UHFFFAOYSA-N 388.254 4.185 30 50 GIEA C=C(C)CC[C@H](C)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 12570628 QCNBWVVKGVLCHM-IBGZPJMESA-N 380.536 4.446 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1SC 1151981 AFYMFCXXEYEWED-INIZCTEOSA-N 377.531 4.309 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(C)o1 4756061 PEYWGERIGNJILG-GAJHUEQPSA-N 391.467 4.431 30 50 GIEA COc1ccc(-c2ccc(C#N)c(=O)n2Cc2cccc(C(F)(F)F)c2)cc1 3128354 MCKFJOMDWARAEX-UHFFFAOYSA-N 384.357 4.463 30 50 GIEA CC(O)=Nc1cc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1Cl 328612401 OSAZILCBYRZLJD-GUYCJALGSA-N 376.844 4.356 30 50 GIEA COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O 218110869 YMSGAENYXRCFBO-LELXDKESSA-N 399.402 4.147 30 50 GIEA biogenic COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1OC 4458688 ZXFVDSCMPPICDO-YCRREMRBSA-N 394.208 4.205 30 50 GIEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1nccs1 328607367 VXPKHQDEFCAMEA-GLJUWKHASA-N 398.488 4.133 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnn(-c5ccc(F)cc5)c4)C[C@H]2C3)OC1(C)C 1875368870 SIOVXLPSAHWSKU-VGOFRKELSA-N 397.303 4.070 30 50 GIEA CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccccc2[N+](=O)[O-])o1 19706549 MAGIPWLHIOMHIJ-UHFFFAOYSA-N 380.400 4.268 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1cc(OC)cc(OC)c1 253430686 FPFPYTJHFVKISD-RBBKRZOGSA-N 380.440 4.023 30 50 GIEA Cc1ccccc1C1(C/N=C(/O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)CC1 329460153 RXLXZVGSACRFAV-QGZVFWFLSA-N 393.535 4.267 30 50 GIEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1c(F)cccc1Cl 218162118 FMLDIWTVKDETOQ-GFCCVEGCSA-N 388.778 4.017 30 50 GIEA O=CCCCCC[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 84316945 LGWCOUXHTAMVGR-HXUWFJFHSA-N 380.440 4.192 30 50 GIEA O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 31716592 QVKWDKPHEMCSMJ-UUZBPDLYSA-N 392.371 4.053 30 50 GIEA C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)CC1 40216775 NIUCNJPYJDTQAV-UHFFFAOYSA-N 375.520 4.020 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 5062167 RTTWRWIZRSKYNI-FQEVSTJZSA-N 395.455 4.082 30 50 GIEA O=C(C[n+]1ccc(-c2ccccc2Cl)nc1)c1ccc(Br)cc1 5717636 YWBZSXDBYSEBHK-UHFFFAOYSA-N 388.672 4.335 30 50 GIEA COc1cccc2c1OC[C@H](C(O)=Nc1cc(Cl)cc(C(=N)O)c1OC)C2 328586775 MZSHJMXSEJIBAH-LLVKDONJSA-N 390.823 4.080 30 50 GIEA C=CCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 2849916 MOHAEGISAMONET-ATVHPVEESA-N 384.229 4.358 30 50 GIEA CCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8398591 HPOUKKLFAKYJQU-UHFFFAOYSA-N 380.558 4.066 30 50 GIEA C[C@H]1CCc2cc(C#N)c(NCc3ccc(N(C)C(=O)c4ccncc4)cc3)nc21 1875275413 OSWCEBNPCBSEDX-INIZCTEOSA-N 397.482 4.287 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 1082066 GYISVRBJGCQSTL-SBUREZEXSA-N 388.467 4.006 30 50 GIEA O=C(/C(=C\c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl 4772867 RDLOTUUWGMTSFJ-FRKPEAEDSA-N 389.198 4.374 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC)cc1 4993369 NDNBSDPIFPSRFV-FQEVSTJZSA-N 389.451 4.217 30 50 GIEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 5763161 DSGFJXHFTVQCQA-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1cccc([N+](=O)[O-])c1 19849112 CZGKIIYBXKDQQE-MOHJPFBDSA-N 388.471 4.290 30 50 GIEA CCN(C(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1)c1ccccc1 96135658 FLNOEPMNGMZEOA-KRWDZBQOSA-N 376.460 4.121 30 50 GIEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1167255 PPEALPPPINMQNJ-RPPGKUMJSA-N 389.434 4.286 30 50 GIEA CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3ccccc3)c2C#N)CC1 52508048 KDVRDLGJYQOKSA-UHFFFAOYSA-N 392.503 4.227 30 50 GIEA C#CC[C@H](OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 170626569 OMQTZTYITVJPOT-HNNXBMFYSA-N 387.317 4.072 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(C)cc1 225506895 JOFWFVCZYOQVJA-TZIWHRDSSA-N 379.412 4.223 30 50 GIEA C#CCCC1(CCC(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)N=N1 1875382083 QAXRKHIIWYMZQA-UHFFFAOYSA-N 396.491 4.006 30 50 GIEA CCCn1ncc2c(C(=O)Nc3sc4c(c3C#N)CCC4)cc(C3CC3)nc21 20606924 BMQJHZIJQPDRII-UHFFFAOYSA-N 391.500 4.393 30 50 GIEA CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21 95930191 PFHDWRIVDDIFRP-UHFFFAOYSA-N 390.487 4.109 30 50 GIEA in-vitro N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CCO1 225550790 XCMUCAOWATZFOJ-ZUTYSQTGSA-N 399.450 4.069 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1cccc(OC)c1 1080297 VIMAFEYDMIJIGA-TZIWHRDSSA-N 383.419 4.066 30 50 GIEA C#Cc1cccc(C(=O)N(CC)CC2CCN(CCc3ccccc3C)CC2)c1 12207652 RUNHSJXAGDYNOR-UHFFFAOYSA-N 388.555 4.393 30 50 GIEA Fc1ccc(N[C@@H]2CCCN(Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1 12585688 COPRGYAWIZJYDA-XMMPIXPASA-N 386.474 4.092 30 50 GIEA O=C(O)/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 20149597 SCRMRZJVSCRXSX-ZROIWOOFSA-N 380.625 4.366 30 50 GIEA CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(CC)C1=O 100310808 ZAFIEIKXNMZNOF-VJGKAAADSA-N 396.468 4.407 30 50 GIEA COc1cc(C#N)cc(I)c1OCc1ccccc1C 4826837 QCTQDKRHLYSJST-UHFFFAOYSA-N 379.197 4.059 30 50 GIEA N#Cc1ccccc1-c1ccc(CN2CCc3[nH]cnc3[C@@H]2c2cccnc2)o1 67473326 RVJCZLAAHMWLJG-QHCPKHFHSA-N 381.439 4.084 30 50 GIEA COC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 100045749 MTPAEVBJFREPLP-UHNVWZDZSA-N 377.442 4.071 30 50 GIEA CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 1117332 MOINVYZUWKEWSJ-CQSZACIVSA-N 387.530 4.144 30 50 GIEA COc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2F)cc1 12378354 NEEXFBRRAOSVMY-UHFFFAOYSA-N 384.432 4.082 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(C)cc1 225512655 DZXBPKJFAQRXFM-GGAORHGYSA-N 377.484 4.380 30 50 GIEA COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@H]1C)N(C)CC3)OCO2 252693669 FKYITSOBJSHMDA-JFDOBCTDSA-N 397.515 4.461 30 50 GIEA biogenic CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 5092798 DRTQUSQIZSLRCG-HXUWFJFHSA-N 379.485 4.058 30 50 GIEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 5818992 PDHZKADGEVACCD-MRXNPFEDSA-N 398.390 4.204 30 50 GIEA CCCCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 8220878 ALOBUEHUHMBRLE-FQEVSTJZSA-N 384.586 4.164 30 50 GIEA biogenic,fda C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2sc(CC)cc2c1=O 641503 ZXNREKOZDRSZFC-UHFFFAOYSA-N 384.526 4.490 30 50 GIEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1cccc(Cl)c1 6192369 RBABZRDQAHMXAM-XLWYYFMFSA-N 385.836 4.343 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](C#N)C2)c(F)c1 72429320 IHRPOCJCKOFUGM-KRWDZBQOSA-N 390.462 4.423 30 50 GIEA N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)cc1 153035624 QBNHKCUQJQGGCJ-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(C)c1 170615228 IBJWFGBPTCFLQP-JTHBVZDNSA-N 394.467 4.332 30 50 GIEA COc1ccc(CCNc2oc(COc3cccc(C)c3)nc2C#N)cc1OC 794748 PPBHFZKXDUXWFP-UHFFFAOYSA-N 393.443 4.106 30 50 GIEA C=CCN(Cc1ccc2c(C)cc(=O)oc2c1)Cc1nc(-c2ccccc2)no1 55327424 SRVURGFYTXRQBN-UHFFFAOYSA-N 387.439 4.340 30 50 GIEA CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003651 LXZOLHUOWKZHKI-UHFFFAOYSA-N 390.289 4.037 30 50 GIEA CN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)c1ccc(-c2ccccc2)cc1 170643466 FAPAOGGKHMFLJI-UHFFFAOYSA-N 393.450 4.270 30 50 GIEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Br)cc1 3123041 BWHYCVOLLVTQTB-NIQDBXHUSA-N 385.261 4.134 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccs1 1425682 HRRNYVXEHCWTLO-UHFFFAOYSA-N 392.456 4.202 30 50 GIEA CC(C)Oc1ccccc1/C=N\NS(=O)(=O)c1cc(Cl)ccc1Cl 32573575 CZMDVJPRBMJIQD-GRSHGNNSSA-N 387.288 4.093 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cccc(F)c1C#N)CC2 275837104 VRIRRHANOBVGHW-FQEVSTJZSA-N 383.492 4.166 30 50 GIEA CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N 170617029 NQYINTMXXFMPSJ-IERDGZPVSA-N 380.492 4.158 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(C)c1 170615233 IBJWFGBPTCFLQP-GGAORHGYSA-N 394.467 4.332 30 50 GIEA C[C@@H]1CCc2c(sc(NC(=O)c3cncc(Br)c3)c2C#N)C1 947391 CYALFTIHPGQIDS-SECBINFHSA-N 376.279 4.154 30 50 GIEA CCCCCCCCn1c(SCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8398593 HVBCCTJSHRIBML-UHFFFAOYSA-N 394.585 4.456 30 50 GIEA C=CCN(Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccco1 23478520 GGMMXYGFFNTACF-NRFANRHFSA-N 391.471 4.070 30 50 GIEA C#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C 19740136 QCUNUFGNRPHEHL-UHFFFAOYSA-N 380.444 4.204 30 50 GIEA COc1ccc(Br)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2 4832383 FDBHBPHYUPBXAL-GORDUTHDSA-N 375.218 4.125 30 50 GIEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1ccncc1 328603992 IBKPBYITCIIPCD-WJPUGNRLSA-N 392.459 4.071 30 50 GIEA CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1CC=CCC1 226659380 FXJVOSSDVORWEP-WAIKUNEKSA-N 393.531 4.033 30 50 GIEA C#CCCC1(CCC(=O)N2CCC[C@H](n3c(CC)nc4ccccc43)C2)N=N1 2325892590 SRJIOLMALYZIKA-KRWDZBQOSA-N 377.492 4.118 30 50 GIEA CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 85808256 KCXYSRAVPMMHKU-SFHVURJKSA-N 384.561 4.303 30 50 GIEA O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 100314672 PULQTXBGJPVSPD-UHFFFAOYSA-N 377.137 4.330 30 50 GIEA CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(NCC)nc1 71750225 NGRKFWTYNBIBTN-CQSZACIVSA-N 394.523 4.049 30 50 GIEA COc1ccc(CC2=C(C(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1226286 LAOCYKVPUUROHY-UHFFFAOYSA-N 382.415 4.496 30 50 GIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 6819769 ZSAYYKPKXZVFKW-YLJYHZDGSA-N 391.467 4.098 30 50 GIEA O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 102946456 DZDZZGZLMMAWSM-VCHYOVAHSA-N 397.303 4.117 30 50 GIEA Cc1cc(N2CCN(c3ccccc3F)CC2)n2c(nc3ccccc32)c1C#N 4625962 XVVVIPPPGSRPJZ-UHFFFAOYSA-N 385.446 4.133 30 50 GIEA C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 225525391 WOANPQGFUVMQGF-FBKCMUNRSA-N 397.434 4.092 30 50 GIEA CN1CCC[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1cccs1 375860704 JNDOUDOHFLMBQQ-JXFKEZNVSA-N 399.535 4.236 30 50 GIEA OCC1(n2cc(-c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1 1875320296 OGHZVYJUDQARPW-UHFFFAOYSA-N 382.279 4.321 30 50 GIEA CN1CCC(c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)CC1 2325872341 SONJUZSCWUCIQH-UHFFFAOYSA-N 388.559 4.444 30 50 GIEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl 1099691 FWGUWKSKGGPMQJ-UHFFFAOYSA-N 397.331 4.152 30 50 GIEA C[C@@H]1[C@@H](/N=C(/O)c2cccc(N=C(O)C3CC3)c2)CC(=O)N1Cc1ccccc1 328594410 IXIDUKNOWMOFER-QRWLVFNGSA-N 391.471 4.179 30 50 GIEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1O 1260449 MMUSBKLJSQKWOY-UFWORHAWSA-N 395.271 4.137 30 50 GIEA C#Cc1cccc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)c1 11841488 NLKKFNRNHVTTOQ-DEOSSOPVSA-N 394.465 4.074 30 50 GIEA Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C 894747 SBHSCPXQTMBAOR-UHFFFAOYSA-N 397.544 4.414 30 50 GIEA COc1ccc(-c2nc(CNc3sc4c(c3C#N)CCNC4)cs2)cc1 2325802586 PCKSJPZLZQEQIS-UHFFFAOYSA-N 382.514 4.010 30 50 GIEA N#CCCn1cc(C(=O)Nc2cccc(C(=O)O)c2)c(-c2ccc(Cl)cc2)n1 3354146 VLZXFRWRWFCOLB-UHFFFAOYSA-N 394.818 4.068 30 50 GIEA C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 12342702 DWFQXWQVCCPIMY-UDWIEESQSA-N 390.439 4.498 30 50 GIEA CCCOc1cccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 32573577 LWQSVTONZREQPY-ODLFYWEKSA-N 387.288 4.095 30 50 GIEA Cc1cn(S(=O)(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1C#N 1875387049 LPZTZJJAHJJXJZ-UHFFFAOYSA-N 375.453 4.064 30 50 GIEA COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 4867303 ZHQIKQFLKQIUKG-VQHVLOKHSA-N 375.384 4.066 30 50 GIEA O=S1(=O)CCC2(CC1)C[C@@H]2C(O)=Nc1ccc2nc(-c3ccccc3)[nH]c2c1 329347550 RUGBRAYIMXRWOJ-MRXNPFEDSA-N 395.484 4.033 30 50 GIEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)CC1 5323103 AVVYDQOJFPUNSW-UHFFFAOYSA-N 395.938 4.365 30 50 GIEA C=CCN(CC=C)C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1 12612644 FUYMWNHCZHHQCQ-UHFFFAOYSA-N 392.455 4.250 30 50 GIEA CCOc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 2346091 YEDGYOGFHHBBCQ-UHFFFAOYSA-N 397.525 4.340 30 50 GIEA O=C1[C@H](/N=C(/O)[C@H]2CCCCC(O)=N2)CCCN1c1ccc(Cl)cc1Cl 329881831 PADQKVAXFZJJSV-ZIAGYGMSSA-N 398.290 4.344 30 50 GIEA CC(C)CCOc1ccccc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N 637577 ANLBDJOBDWJOPD-UHFFFAOYSA-N 399.454 4.431 30 50 GIEA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 95483553 FYOSIYUKIQBEDK-JOCHJYFZSA-N 389.451 4.104 30 50 GIEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2c(Cl)cccc21 169936233 KFBYQSLSUBWFNK-UHFFFAOYSA-N 377.677 4.377 30 50 GIEA in-vitro CSc1ccc([C@@H](C(C#N)C#N)[C@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 4996426 KEAKKIJXQFDIKG-PMACEKPBSA-N 395.459 4.138 30 50 GIEA Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)cc(-c3cnn(C(C)C)c3)nc2c1 63885023 LNQBXINLMUTNOP-QGZVFWFLSA-N 387.487 4.363 30 50 GIEA C=CC[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)c1ccccc1 2325819699 NGISMELEUHYVCF-BWAGFHJFSA-N 376.500 4.072 30 50 GIEA N#Cc1ccc2c(c1)CN(c1nc3ccccc3c(=NCc3ccccc3)[nH]1)C2 2325866170 CIAMJEUIGVQJEO-UHFFFAOYSA-N 377.451 4.056 30 50 GIEA COc1ccc(C(=O)NC2CCC(NC(=O)C#CC(C)(C)C)CC2)cc1C(C)C 2325879226 NABYMTDSKLENNR-UHFFFAOYSA-N 398.547 4.025 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F 969678 VMHFBJHOAFPKBI-INIZCTEOSA-N 390.208 4.077 30 50 GIEA C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 985192 LOZYYLHEFRJKQT-UHFFFAOYSA-N 382.514 4.380 30 50 GIEA N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)sc2c1CCCC2 4811043 OJHVNCIZIIAQLQ-GFCCVEGCSA-N 399.903 4.144 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl 629511 BBEKANQWVRMWNA-GOSISDBHSA-N 377.843 4.256 30 50 GIEA C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC3 630221 UCZUVFHREDZWCM-UHFFFAOYSA-N 375.544 4.190 30 50 GIEA O=C(OCC#CCSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 2260345 CFZGGUNZAVRCQS-UHFFFAOYSA-N 384.438 4.157 30 50 GIEA CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 4996420 DFSPIENFHZPDDV-OALUTQOASA-N 383.810 4.070 30 50 GIEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccco2)sc1C 6812803 SZTDNHPONXAGOX-CQSZACIVSA-N 386.454 4.197 30 50 GIEA N#Cc1nc(-c2cccc3ccccc23)oc1S(=O)(=O)Cc1ccccc1F 238901357 LOMZYEDHIXHQAQ-UHFFFAOYSA-N 392.411 4.479 30 50 GIEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 4005491 JMKJZHKMDUEINT-SMIHKQSGSA-N 377.484 4.394 30 50 GIEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239175763 QPLLVENXOUMKGH-VHDGCEQUSA-N 386.517 4.376 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 836139 HYZRLDXTXDLEPO-MRXNPFEDSA-N 390.208 4.077 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccs1 225510880 OLCASSOXVDMHGR-JXFKEZNVSA-N 386.469 4.085 30 50 GIEA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3C#N)CC2)C1 96132775 DQJNVWRYMSQKRE-QFIPXVFZSA-N 387.527 4.290 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccs2)cc1 13570931 HYHQMNHNWLJZOT-OAHLLOKOSA-N 382.466 4.296 30 50 GIEA CCc1cc(N2CCC(/N=C(/O)N[C@H]3CCCCC34CCCC4)CC2)ncn1 329638076 VZPNXXRJKKXGEK-IBGZPJMESA-N 385.556 4.014 30 50 GIEA CC1=C(OS(=O)(=O)c2ccc(C)cc2)C(C)(C)[C@@H](c2ccccc2)OC1=O 2343254 NTTVAJUQHSLXOQ-LJQANCHMSA-N 386.469 4.299 30 50 GIEA C=CCn1c(SCc2nc3ccccc3[nH]2)nc2sc3c(c2c1=O)CCC3 2818271 VECRMQHEYHLMOL-UHFFFAOYSA-N 394.525 4.301 30 50 GIEA CN1CCc2nc(SCc3cccnc3)c(C#N)c(-c3cccs3)c2C1 20230564 YLGVIZOIJISDDP-UHFFFAOYSA-N 378.526 4.357 30 50 GIEA Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(C#CCCO)cc2)[nH]n1 67948076 QTPASDNZGWQXAC-UHFFFAOYSA-N 382.467 4.031 30 50 GIEA Cc1cc(C)c2c(c1)CC[C@@H]2Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C#N 2325827422 FSHNUCZITSXZSD-FQEVSTJZSA-N 397.544 4.351 30 50 GIEA COc1cccc(/C=C/C(=O)c2ccc(I)cc2)c1OC 4185332 YXIJTIYJYWHOFY-DHZHZOJOSA-N 394.208 4.205 30 50 GIEA COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC 4832658 SFLTXLUEUASLDR-VZUCSPMQSA-N 377.396 4.445 30 50 GIEA COC(=O)c1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1 5859386 PJTFOZFWDWIUDW-CIAFOILYSA-N 396.472 4.064 30 50 GIEA COc1cc(/C=C/C(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc(Cl)c1O 170612950 CGZFFRCWEZZTJM-FARCUNLSSA-N 399.752 4.451 30 50 GIEA Cc1cccc(C(/N=C(/O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c2cccc(C)c2)c1 329987761 GLYCXPOWMTXDHF-CYFREDJKSA-N 394.515 4.187 30 50 GIEA Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 676666 NNYRMOYLGQHSHB-UHFFFAOYSA-N 388.558 4.434 30 50 GIEA Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2O)cc1 1244774 SASLVJQXVYKIMV-GIJQJNRQSA-N 389.278 4.266 30 50 GIEA COc1ccc(Oc2cc(CNC(=O)[C@H](C)c3cccc(C#N)c3)ccn2)cc1 461960613 VXKNSGLCNIOMFL-MRXNPFEDSA-N 387.439 4.174 30 50 GIEA C=CCN1C(=O)c2[nH]nc(-c3cc(C)c(C)cc3O)c2[C@H]1c1ccccc1F 4809744 AXPJUZKDSXDZEO-OAQYLSRUSA-N 377.419 4.269 30 50 GIEA CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(C)cc2C)c(C#N)c1C 997750 BNWRFWYNUCEMCG-UHFFFAOYSA-N 399.516 4.045 30 50 GIEA CC(C)c1nc(C2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)no1 292989250 YDSWGMAXWXNRQY-UHFFFAOYSA-N 396.491 4.020 30 50 GIEA Cc1ccc(CN2CCN(/N=C/c3cc(Br)ccc3F)CC2)cc1 19834188 KIQPMMWFSVTJNX-LPYMAVHISA-N 390.300 4.048 30 50 GIEA CCc1ccc(/C=N/n2c(-c3cc(OC)c(OC)c(OC)c3)n[nH]c2=S)cc1 5961653 MVAHRYUOUVDSAX-CIAFOILYSA-N 398.488 4.078 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2113542 LAANKXXOGICTHM-SFHVURJKSA-N 396.497 4.322 30 50 GIEA COc1ccc(NC(=O)CCn2cc(C#N)c(-c3ccc(Cl)cc3)n2)cc1 4858062 AGXVERNFYKCCLS-UHFFFAOYSA-N 380.835 4.113 30 50 GIEA Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12 5072233 QZBAXRCEGXLXOR-DHRITJCHSA-N 380.411 4.325 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 169692259 SKZAEPYYNKXXRD-ZLNRFVROSA-N 381.447 4.224 30 50 GIEA COc1ccc(Oc2cc(CNC(=O)[C@@H](C)c3cccc(C#N)c3)ccn2)cc1 461960612 VXKNSGLCNIOMFL-INIZCTEOSA-N 387.439 4.174 30 50 GIEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 1857739382 PYHOLXZKSJENQU-QGZVFWFLSA-N 398.890 4.460 30 50 GIEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4852039 QZJJOVCSLYBJGI-UHFFFAOYSA-N 392.480 4.070 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 9013647 XPXQHCLLKNETHA-LJQANCHMSA-N 383.419 4.213 30 50 GIEA Clc1ccc(CN2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 20189589 XRGFCAYXCJGNQJ-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)s1 12094432 WMUAWBJEBZXFJG-DEOSSOPVSA-N 397.584 4.078 30 50 GIEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 19731382 JJYIHDYVEBELQH-NRFANRHFSA-N 381.472 4.236 30 50 GIEA COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1CN1CCOCC1 19792476 WAMSNMCYMQEZLN-HWKANZROSA-N 395.543 4.326 30 50 GIEA C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1cccc(C)c1 14994365 WCELVYPRVGIKCT-UHFFFAOYSA-N 396.491 4.134 30 50 GIEA C=CCn1c(COc2ccccc2F)nnc1SCCCN(CC)CC 170605524 QTQDATQZYMXHOF-UHFFFAOYSA-N 378.517 4.006 30 50 GIEA COc1ccc(OC)c(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c1 239119565 IVJSVVUOPQTKMG-UHFFFAOYSA-N 396.516 4.431 30 50 GIEA CC1(C)C[C@H]1c1nc(-c2cccc(C#CCO)c2)n(CCCc2ccccc2)n1 1875348502 SWYWQVQMXLJKEQ-QFIPXVFZSA-N 385.511 4.435 30 50 GIEA Cc1ccccc1N1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 633564 CKIMUUNHFWBCRQ-UHFFFAOYSA-N 381.483 4.303 30 50 GIEA O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc(Br)cc1 1030189 PAHPVOPBDUWWMN-SRZZPIQSSA-N 379.213 4.232 30 50 GIEA C=CCOc1ccc(/C=C2/NC(=S)N(c3ccccc3C)C2=O)cc1OCC 6945540 DUDFRGNMKXNOQX-GHRIWEEISA-N 394.496 4.221 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 100562974 WKCXLGWPYOLQHG-NRFANRHFSA-N 396.531 4.310 30 50 GIEA CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2C#N)CC1 116812423 BPMGRWQZDOWTFR-UHFFFAOYSA-N 381.270 4.099 30 50 GIEA in-vitro CC(=O)O[C@@](C)(C#CCN1CCCC[C@H]1c1cccnc1)Cc1ccccc1 252430736 HJMJDULWIZHBIX-ZEQRLZLVSA-N 376.500 4.177 30 50 GIEA biogenic C=CCSC1=N/C(=C\c2ccc(OC(C)=O)c(Br)c2)C(=O)S1 3000839 QBWLWPNPSQFGDT-WQLSENKSSA-N 398.303 4.264 30 50 GIEA C/C(=N\N=C1/NC(=O)[C@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 5214330 UEFSTJZORAACHQ-RSFOSLOZSA-N 375.856 4.033 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1ccc(F)cc1 225509808 JNWOJHMVINNLNO-KNQAVFIVSA-N 398.430 4.162 30 50 GIEA Cc1nc([C@H]2CCCN(C(=O)C/N=C(/O)CCC3CCCC3)C2)sc1C 329658389 NKHGUZCRBOTAQR-KRWDZBQOSA-N 377.554 4.393 30 50 GIEA Cn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cn1 245238813 BDYWLFLGYFNMAY-ONKVACBBSA-N 376.504 4.457 30 50 GIEA O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1211437 BKQQDLGJBYLRIV-RELWKKBWSA-N 381.775 4.253 30 50 GIEA CN(CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 23358920 WSVZUBIIIRRQKF-OAQYLSRUSA-N 396.600 4.009 30 50 GIEA C[C@@H](CSc1ccc(F)cc1)C(O)=Nc1cccc(N=C(O)NN(C)C)c1 328595966 LZKVHINGFFXXFX-ZDUSSCGKSA-N 390.484 4.454 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4ccnn4-c4ccc(F)cc4)C[C@H]2C3)OC1(C)C 1875368756 NYYLJEMFVNVYOR-OPAMFIHVSA-N 397.303 4.070 30 50 GIEA CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 8214402 ALOBUEHUHMBRLE-HXUWFJFHSA-N 384.586 4.164 30 50 GIEA biogenic,fda Clc1ccccc1COc1ccc(Br)cc1/C=N/n1cnnc1 2970336 FHIKDTMFQUJLKT-ODCIPOBUSA-N 391.656 4.155 30 50 GIEA Cc1ccc2[nH]c3nc(N/N=C/c4cccc(Br)c4)nnc3c2c1 4737968 UYZPGHMDJLMFEE-DJKKODMXSA-N 381.237 4.023 30 50 GIEA Cc1cc(Br)c(NC(=O)CSc2ncccc2C#N)cc1C 9295505 CMFWDSOXMCECSF-UHFFFAOYSA-N 376.279 4.063 30 50 GIEA Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3ccc(C)c(C)c3)[nH]2)cc1 13003362 NGVSJWLMTIJFKU-UHFFFAOYSA-N 393.516 4.046 30 50 GIEA CSc1ccc(C)c(-c2nc([C@@H]3CCN(C)C3)nn2-c2cccc(C#N)c2)c1 1875335843 JCNRRHFIZLUYDF-QGZVFWFLSA-N 389.528 4.255 30 50 GIEA C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C 2859251 JHVHXWJCNUWQLE-UHFFFAOYSA-N 396.491 4.233 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2)nc2c(c1=N)[C@@H]1CCC[C@H]1S2 138298532 ZIWQKINRDNGATQ-GDBMZVCRSA-N 383.542 4.265 30 50 GIEA C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1 5047100 NBEZILFAOYZIGB-GXNCNPHTSA-N 399.541 4.209 30 50 GIEA CNC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N 3612328 SGYRUPOVTGBZGE-UHFFFAOYSA-N 385.798 4.131 30 50 GIEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 225495538 AAASQGZXSCFKMN-QFBILLFUSA-N 388.558 4.455 30 50 GIEA C/C(=N\c1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1)c1c(O)cc(C)oc1=O 227173240 TZUCVSRIOJXTKG-DGYUODJOSA-N 391.383 4.453 30 50 GIEA C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(/C)c1ccc(F)cc1 4158559 SNDMMDCMXTYNSM-YIRXGDTOSA-N 381.476 4.278 30 50 GIEA CCOC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1)c1cccc2ccccc12 1875253451 HGAIMUKGOCTXEZ-XPWALMASSA-N 398.462 4.236 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC)cc1 4993370 NDNBSDPIFPSRFV-HXUWFJFHSA-N 389.451 4.217 30 50 GIEA Cc1c(/N=C/c2cc(Cl)cc(O)c2Cl)c(=O)n(-c2ccccc2)n1C 101671585 VEOHLNWKGRVPTB-UFFVCSGVSA-N 376.243 4.247 30 50 GIEA O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1 9009887 RRRVBNJQXGWEIM-JXVRESAISA-N 382.419 4.264 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 6819673 ZICRGFIMPXXPPD-CRAIPNDOSA-N 381.859 4.353 30 50 GIEA O=C(c1ccc(Br)cc1)N1CCC(/C(O)=N/Cc2ccco2)CC1 1144297 STVIDHYDOHSEPF-UHFFFAOYSA-N 391.265 4.051 30 50 GIEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2355966 QSGCVHRZRGYWON-DJKKODMXSA-N 379.272 4.431 30 50 GIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 19791030 OGEGDFFXYOXCRF-CIAFOILYSA-N 393.274 4.053 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1c(OC)cccc1OC 328597034 CRNJMZDKUJREBA-DYESRHJHSA-N 398.430 4.162 30 50 GIEA CC(=O)N1CCC(C(=O)Nc2scc(-c3cc(C)ccc3C)c2C#N)CC1 6726326 MGPQTHDJHZLMGZ-UHFFFAOYSA-N 381.501 4.101 30 50 GIEA CCn1cc(C(C2=C(O)CC(C)(C)CC2=O)C2=C(O)CC(C)(C)CC2=O)cn1 2807843 SIYZSSGGKYGVCN-UHFFFAOYSA-N 386.492 4.389 30 50 GIEA CC(C)[C@H](C)N1Cc2ccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2C1 240555791 GXGVWCWQSUDXJM-SBUREZEXSA-N 388.515 4.136 30 50 GIEA Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc(C#CCCO)cc2)cc1C 12714207 MSBCIQCRBYEQSU-VWLOTQADSA-N 399.538 4.390 30 50 GIEA C=CCn1c(CNC(=O)C2CCCCC2)nnc1SCc1cccc(C)c1 14981751 MOHHCVKENQBIRP-UHFFFAOYSA-N 384.549 4.261 30 50 GIEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 6227871 STKUHIROZSRSSF-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1488207 BTYYWOYVBXILOJ-UHFFFAOYSA-N 381.233 4.098 30 50 GIEA in-vivo O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1cccc(Cl)c1Cl 1214877 YVCIDBOMHBZLOW-DGURAOSJSA-N 378.284 4.158 30 50 GIEA CC(C)Oc1ccccc1CC(=O)N1CC[C@@]2(B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 1875368817 RKAUHCYEQSKHQW-FDDCHVKYSA-N 399.340 4.101 30 50 GIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 6819597 UJZQEUKOFFUNCE-LPHOPBHVSA-N 391.467 4.098 30 50 GIEA C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 457842900 XNCNOISUWBHXLP-ZFWWWQNUSA-N 388.455 4.239 30 50 GIEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 239038590 DMTQHSLTEBUADC-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)c(O)c1 5643993 FPETXKMUZIUTKS-FYJGNVAPSA-N 397.504 4.050 30 50 GIEA C#Cc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cc1 12209756 YKPOLFXJCYRULC-RUZDIDTESA-N 380.576 4.304 30 50 GIEA O=C1c2ccc([N+](=O)[O-])cc2N[C@H](c2cccs2)N1/N=C/c1cccs1 720620 OOYVVBRNFLBRKP-HKJBKDEOSA-N 384.442 4.318 30 50 GIEA C=CCN1C(=O)[C@@H](Cc2cccc(C)c2)S/C1=N\c1ccc(C(=O)O)cc1 1229761 FXKAWMNMNUOWAV-UGNPLGLKSA-N 380.469 4.053 30 50 GIEA CCc1ccc(-c2n[nH]cc2/C=N\NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 17081091 YROYXLXECUTXCA-UCQKPKSFSA-N 396.516 4.075 30 50 GIEA O=[N+]([O-])c1ccc(NN=C(CCc2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 254707269 UNLWEJKWIIVZIR-UHFFFAOYSA-N 391.387 4.347 30 50 GIEA Cc1onc(-c2c(F)cccc2Cl)c1/C(O)=N/[C@@H]1CCN2CCCC[C@@H]12 328942199 TYZDEDBUAGJCHI-CABCVRRESA-N 377.847 4.374 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 2926405 QVOANCKNJKSRRY-HXUWFJFHSA-N 385.529 4.259 30 50 GIEA C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc3c(c1)OCO3)CC2 1857532633 WOANPQGFUVMQGF-AWEZNQCLSA-N 397.434 4.092 30 50 GIEA CCCOc1ccccc1[C@@H]1C2=C(CCCC2=O)NC(CC)=C1C(=O)OCC 4060209 HKOAAZAGUSECAR-HXUWFJFHSA-N 383.488 4.397 30 50 GIEA C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 4841822 GXLFPNZCKDELGX-ZDUSSCGKSA-N 385.518 4.015 30 50 GIEA CCCCN1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2432516 BQPXQWQMQNGQIB-UHFFFAOYSA-N 386.336 4.318 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 4844485 CEQZRSKXBIDCRV-OAQYLSRUSA-N 392.499 4.439 30 50 GIEA CCc1ccc2nc(-c3cnn(CC)c3)cc(C(=O)N3CCC(C#N)CC3)c2c1 63847140 KVMWDQDWFVQWND-UHFFFAOYSA-N 387.487 4.056 30 50 GIEA COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1nc(C)c(Cl)c1C 6921423 QWEDYBJNWFBJMQ-SOFGYWHQSA-N 398.894 4.148 30 50 GIEA CC(C)N(C(C)C)P(OCCC#N)OCCCCCNC(=O)C(F)(F)F 43215026 OVFVLUKVODOLBV-UHFFFAOYSA-N 399.394 4.128 30 50 GIEA COc1cc(C(=O)/C=C/c2cc(Br)ccc2O)cc(OC)c1OC 95100015 GCHMDQZQBUMMIB-GQCTYLIASA-N 393.233 4.077 30 50 GIEA Fc1ccccc1/C=N/n1c(-c2ccccc2Br)n[nH]c1=S 6059539 UTNLKKMFPHELIS-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA CCn1c2ccccc2c2nnc(N/N=C/c3ccc(Br)cc3)nc21 4321360 ZZLPKHLSAJTZDM-RGVLZGJSSA-N 395.264 4.208 30 50 GIEA C=CCOc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1 2552718 XWTSFXUTLQQXAC-XDHOZWIPSA-N 390.306 4.334 30 50 GIEA COc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1OC 4832389 GNOHBNYMPNVJLC-HWKANZROSA-N 391.217 4.091 30 50 GIEA O=C(O/N=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 12956821 CNJRFIOJCZHPDP-BKUYFWCQSA-N 387.823 4.429 30 50 GIEA COC(OC)[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]12 257347377 GHVWVOCLUYXNRO-MTMVXOAJSA-N 390.520 4.049 30 50 GIEA Cc1ccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)c(C)c1 2529505 PNYKJVZSVZIMSE-UHFFFAOYSA-N 382.281 4.298 30 50 GIEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OC 5959769 HRMGMJOLTXPLAL-RGVLZGJSSA-N 388.880 4.177 30 50 GIEA Cc1ccc(C(=O)NCc2cccc(OCC#N)c2)cc1NC(=O)c1ccccc1 113105688 BWPXXXZAAWDYHC-UHFFFAOYSA-N 399.450 4.080 30 50 GIEA COc1ccc(C(=O)/C=C(\C)Nc2ccc(I)cc2)cc1 4819138 CDCNYBNSMJATFJ-VAWYXSNFSA-N 393.224 4.498 30 50 GIEA C=CCc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1OC 67622687 GWXTWMHEXHXZHI-UHFFFAOYSA-N 380.488 4.149 30 50 GIEA N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2ccccc2o1 170623078 LQZQEGBOHTWQOT-LBPRGKRZSA-N 398.300 4.387 30 50 GIEA N#Cc1nc(Cc2ccccc2)oc1NCCSc1ccc([N+](=O)[O-])cc1 1857800844 WAEACMTYTQBPKQ-UHFFFAOYSA-N 380.429 4.249 30 50 GIEA C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 4814594 MLJNOFABDDZFIX-UHFFFAOYSA-N 394.456 4.323 30 50 GIEA O/C(=N/Cc1cccc(Cn2ccnc2)c1)[C@H]1C[C@@]12CCOc1ccc(F)cc12 328606958 UGAQLKATXJZESC-NFBKMPQASA-N 391.446 4.267 30 50 GIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cn(Cc2ccc(F)cc2)nn1 12199960 SIDGAJFIGVLORD-PMACEKPBSA-N 380.467 4.147 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2n1C 629472 AORCJOXGJSJLAC-JOCHJYFZSA-N 392.499 4.345 30 50 GIEA CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(C)cc1 4989864 OOKJBDOEKQXJAG-UHFFFAOYSA-N 388.467 4.125 30 50 GIEA Cc1nn(-c2cccc(Cl)c2)nc1/C(O)=N/CCCSc1ccccn1 328591549 CGCHNZHTLANINH-UHFFFAOYSA-N 387.896 4.111 30 50 GIEA Cc1ccc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c(O)c1 328606475 RQJMDHRRXPXTKF-GHTZIAJQSA-N 377.444 4.311 30 50 GIEA C#CCCC1(CCC(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)N=N1 2325892513 PWAOZFMNLKFLRZ-UHFFFAOYSA-N 378.476 4.238 30 50 GIEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 783756 SPUPGXQHYOHJHJ-RUZDIDTESA-N 383.447 4.347 30 50 GIEA Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)nc(C#N)c2Cl)cc1 1225510 BDCOOVZMYRTZKW-UHFFFAOYSA-N 376.652 4.023 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 2815481 JPAFDPSGVBFVBC-UHFFFAOYSA-N 388.489 4.375 30 50 GIEA C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2sc(C)cc2c1=O 641580 YNZKZQNVXQSLJK-UHFFFAOYSA-N 399.541 4.300 30 50 GIEA N#CCCN(C(=O)CC/C(O)=N/CCc1nc2ccccc2o1)c1ccccc1 328591847 UPORCUMXAVPSGS-UHFFFAOYSA-N 390.443 4.054 30 50 GIEA C=CCOc1cc(Cl)c(CN2C[C@H]3CCC[C@](O)(CC)[C@H]3C2)cc1OC 1704337922 HKZDEUYHQOXYDC-LDBYXDLTSA-N 379.928 4.286 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F 1201803 CFXXPOTWODJKBP-AOMKIAJQSA-N 391.442 4.360 30 50 GIEA C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1 2825632 UYLOSNRXLJAGQX-LINNUKDLSA-N 393.512 4.450 30 50 GIEA COc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 3878644 NBVZVCGNWUPXLQ-DNVJHFABSA-N 395.462 4.076 30 50 GIEA C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc([N+](=O)[O-])cc1 4738229 PJHQVOPCGWYAJU-YBFXNURJSA-N 383.389 4.463 30 50 GIEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4914554 JLWOTHVNHCFGHM-QFBILLFUSA-N 379.431 4.229 30 50 GIEA N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 5050342 RMTFPRPIOJROGW-UHFFFAOYSA-N 395.806 4.278 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 170615346 URLBJHJWUSHIBL-AUSIDOKSSA-N 394.467 4.332 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2F)nc2sc(C)c(C)c2c1=O 628206 XDTDAIAXSRPEGF-UHFFFAOYSA-N 388.489 4.375 30 50 GIEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)C)cc1 632592 OARGZVVSVPNMRW-SFHVURJKSA-N 383.488 4.300 30 50 GIEA C=CCOc1c(Cl)cc(CN2CCC[C@H]2c2nonc2C)cc1OCC 55225970 FJIREJUXDMQOCO-INIZCTEOSA-N 377.872 4.332 30 50 GIEA C[C@@H](c1ccc(C#N)cc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328607531 WFTHDAWEHNOGSM-LERMDLETSA-N 385.471 4.118 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccccc1 2506489 GPKULNUIUIXOGE-OEAKJJBVSA-N 393.443 4.365 30 50 GIEA Cc1cc(C)n(-c2ccccc2)c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 22204396 XEVXBPKZYWEJTJ-NDENLUEZSA-N 379.376 4.357 30 50 GIEA COc1cccc(/C=C2\CN(C(C)C)C/C(=C\c3cccc(OC)c3)C2=O)c1 34107287 LWZRQFHVPQPEFT-HGEIODPWSA-N 377.484 4.464 30 50 GIEA C=CC[C@H]1CC=C[C@@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 169682777 SBHWYMPHTLLVGA-FRRDWIJNSA-N 375.328 4.332 30 50 GIEA N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@]34CCOC4)cc2Cl)c1 421074034 XVISOZPPHFEDQZ-OAQYLSRUSA-N 397.862 4.187 30 50 GIEA CN(C)c1ccc([C@H](CNc2oc(-c3ccc(F)cc3)nc2C#N)N(C)C)cc1 1775975383 ICNNGGFGTHRAKR-FQEVSTJZSA-N 393.466 4.133 30 50 GIEA O=[N+]([O-])c1cc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)ccc1Cl 5450574 IRZDVICQZAISPU-QGMBQPNBSA-N 377.788 4.191 30 50 GIEA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C#Cc1ccccc1)O2 12122881 JEMGASSQGVGLJO-QFIPXVFZSA-N 395.458 4.028 30 50 GIEA COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1CC=CCC1 226619527 OSIKFLRVCQWUGW-MWTRTKDXSA-N 394.515 4.460 30 50 GIEA CN1CCC[C@@H]1CCn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)cc1 65409568 VBBSGLMEPPGVQR-HSZRJFAPSA-N 385.511 4.045 30 50 GIEA COc1ccc(NC(=O)CC[C@H]2CCCN(c3ncccc3C#N)C2)cc1Cl 95513209 WXJZMHCSIBBUAU-OAHLLOKOSA-N 398.894 4.251 30 50 GIEA C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772492586 VUVNLXFEGKNTAK-HVFNOKMISA-N 375.509 4.157 30 50 GIEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc(Cl)c1 19912218 LKTUJASDDXLJIC-UHFFFAOYSA-N 387.863 4.033 30 50 GIEA N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CCO2)c1 861222174 FJNLLYBKNRHMSS-QGZVFWFLSA-N 393.340 4.322 30 50 GIEA C[C@@H]1C[C@@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 2050025075 RIBJFKHCXQKAFB-WBMJQRKESA-N 393.422 4.243 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OCC 170618240 AQUFDPXLXONMLA-XXBNENTESA-N 394.467 4.413 30 50 GIEA N#Cc1cccc(CS(=O)(=O)c2oc(-c3cccc4ccccc34)nc2C#N)c1 170623862 SRYDSVNWQPKTJU-UHFFFAOYSA-N 399.431 4.212 30 50 GIEA Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(Cl)cc4F)no3)CC2)o1 293388908 QSYCZRCDHWKCTB-UHFFFAOYSA-N 387.802 4.081 30 50 GIEA C=CCn1c(SC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 1077456 FICWBWYHUDOOCQ-CYBMUJFWSA-N 376.547 4.184 30 50 GIEA Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)c1C 4723518 QHSCOJDADYNMSW-UHFFFAOYSA-N 381.259 4.047 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 4906495 SZTYDZJNVNHLKM-FQEVSTJZSA-N 379.456 4.035 30 50 GIEA COc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c(OC)c1 5690100 ZVACMBVEIGUQIL-CIAFOILYSA-N 398.488 4.294 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 4603120 NCLBTVQAQYGRGI-OQLLNIDSSA-N 388.788 4.178 30 50 GIEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)n1ncnc1N2 4866580 ZJIBDAMRTPNERW-XIKOKIGWSA-N 382.876 4.409 30 50 GIEA Cc1c(C#N)c(N)c(C(=O)c2ccc(Br)cc2)n1-c1ccccc1 711985 WZMXHSXFFNIMFZ-UHFFFAOYSA-N 380.245 4.233 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCC 4993365 LBKNYJAZKSCERK-HXUWFJFHSA-N 389.451 4.217 30 50 GIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257359328 ZPTTUFVORSZZFO-RJNDBBCYSA-N 390.495 4.357 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(F)cc1 328597217 GACDKTWIBORZSE-IFMALSPDSA-N 381.447 4.211 30 50 GIEA C=CCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OC)c(OC)c1 2866699 DJOIXJGVMYKBDW-UHFFFAOYSA-N 376.836 4.356 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 2874321 ASFKICALRXQIPI-GOSISDBHSA-N 378.457 4.328 30 50 GIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 257359327 ZPTTUFVORSZZFO-PRZIMVISSA-N 390.495 4.357 30 50 GIEA C[C@H](Sc1ccc(C#N)cc1)c1nc(-c2ccc3ncnc(O)c3c2)no1 2325736431 VBVFCCBMHDCCIH-NSHDSACASA-N 375.413 4.110 30 50 GIEA S=C(N/N=C/c1c[nH]c2ccc(Br)cc12)NC1CCCCC1 4209633 IYABPIVZMJIDKD-VXLYETTFSA-N 379.327 4.061 30 50 GIEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 100557256 SDLCLJYAVNBLEA-UTKZUKDTSA-N 395.499 4.013 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1OC 4915397 QMTATCFESREEKW-QZTJIDSGSA-N 391.467 4.017 30 50 GIEA C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 13881584 LOCVEYHIRLKQPC-NVMNQCDNSA-N 382.441 4.045 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccc(Cl)cc1 6222232 YNRYLJCKWOYNAS-VYXQJKENSA-N 378.284 4.158 30 50 GIEA C#CCCC1(CCC(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)N=N1 1875369030 WFXFYKXIMWFSMY-UHFFFAOYSA-N 377.492 4.309 30 50 GIEA CC(C)Oc1cccc(CC(=O)N2CC[C@@]3(B4OC(C)(C)C(C)(C)O4)C[C@@H]3C2)c1 1776003057 SSQXJFPPBKUTMN-WZONZLPQSA-N 399.340 4.101 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 1142511 YYYRVYCHXHQEAD-UHFFFAOYSA-N 380.429 4.014 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)o1 6309432 NJOIJZDSTWBZTM-LJQANCHMSA-N 395.386 4.407 30 50 GIEA CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 6490104 VNXWIPCNCKVJFF-SOFGYWHQSA-N 398.894 4.323 30 50 GIEA CCc1nnc(S)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 20617924 SSNZITTWTZIRNZ-AWQFTUOYSA-N 390.896 4.454 30 50 GIEA Cc1nc(C#N)c(N2CCC(c3nc([C@H](C)c4ccccc4C)no3)CC2)o1 252494927 OIFFAOTUVYWFSY-CQSZACIVSA-N 377.448 4.082 30 50 GIEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)O 253499057 CJQNBXFUHQZFOE-LXNNMKQJSA-N 388.504 4.295 30 50 GIEA biogenic CCOC(=O)C(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C 2865457 OLEJGEFLLJDJHW-HNNXBMFYSA-N 391.254 4.459 30 50 GIEA Cc1cc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)nc(-c2ccccc2O)n1 4957725 QADDWGAXLDIPKQ-HCBMXOAHSA-N 394.303 4.299 30 50 GIEA CC#CCN(Cc1ccco1)Cc1nc(-c2cccc(OC)c2OC)oc1C 20387755 XFJWAAWEVMUSBE-UHFFFAOYSA-N 380.444 4.286 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 257357759 PTARAGMFTGDAST-VJFNCAHTSA-N 390.520 4.024 30 50 GIEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/CCc2nc3c(s2)CCCC3)cn1 328641017 XTSSDVLUZJRORM-HNAYVOBHSA-N 388.537 4.076 30 50 GIEA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I 100021427 KCEJJSGJNCSQFI-UHFFFAOYSA-N 395.937 4.482 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 20562235 YNBSAHKZYBKPKN-NRFANRHFSA-N 383.488 4.393 30 50 GIEA CC(C)(C)OC(=O)N1CCC(C#N)(Nc2ccccc2Br)CC1 300818196 IKAXNUWUBDUTOM-UHFFFAOYSA-N 380.286 4.154 30 50 GIEA N#Cc1cnc2cnccc2c1N1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2 2325780406 CBBHOEICYJMTHN-ROUUACIJSA-N 390.874 4.174 30 50 GIEA CC#CC(=O)N1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 77381104 MGVPCRLOWGVJOO-UHFFFAOYSA-N 380.875 4.207 30 50 GIEA COc1cccc(OC)c1OC1CCN(c2cc(C#N)nc3ccccc23)CC1 170642768 YJZJLJSVLAONRR-UHFFFAOYSA-N 389.455 4.171 30 50 GIEA C/C(=N\NC(N)=S)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253499394 GAYVUWZJMHOLMM-ZPHWWILXSA-N 391.625 4.215 30 50 GIEA biogenic O/C(=N/C1(c2noc(C3CCCC3)n2)CCCCCC1)[C@H]1CCc2nn[nH]c2C1 329174182 LPZMEZVPQYDVOT-HNNXBMFYSA-N 398.511 4.156 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1 18044156 PPUHWCYCQUSFTB-DNVCBOLYSA-N 397.858 4.097 30 50 GIEA N#CC1(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCCCC1 225407903 WNSOTPPOOROCME-WZONZLPQSA-N 390.487 4.091 30 50 GIEA Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(C(=O)C(C)(C)C)[C@@H]1CCCCN21 229435585 GQPAZQIRBDLIEU-CVDCTZTESA-N 376.504 4.221 30 50 GIEA CCSC1=N/C(=C\c2cc(Br)cc(OC)c2OC)C(=O)S1 4755418 LMZVWLKLXQKFGB-POHAHGRESA-N 388.308 4.190 30 50 GIEA CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O 8216841 YHEDRJPUIRMZMP-ZWKOTPCHSA-N 381.494 4.265 30 50 GIEA endogenous,in-man COc1ccc(OC)c2c1[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2C12OC2(C)C 101050749 GICRREZPKWDRHV-KBPBESRZSA-N 380.337 4.399 30 50 GIEA COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1C#N 1049418 QJJIQBIUVRGUII-VOTSOKGWSA-N 389.205 4.156 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 19925459 OQPZXJDTPYMOSO-QGZVFWFLSA-N 393.405 4.482 30 50 GIEA CCOC(=O)C(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C 2865458 OLEJGEFLLJDJHW-OAHLLOKOSA-N 391.254 4.459 30 50 GIEA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20322462 MZPCLACDDSLTGO-NRFANRHFSA-N 376.431 4.432 30 50 GIEA CC(C)Oc1ccccc1CC(=O)N1CC[C@]2(B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 1875368821 RKAUHCYEQSKHQW-MBSDFSHPSA-N 399.340 4.101 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(Cl)c1 636925 LXEHVFMNCSPGTB-SFHVURJKSA-N 389.879 4.126 30 50 GIEA Cc1cc(NC(=O)c2ccc(C#N)cc2F)c(C)cc1I 669355 NNFFWNUWUKCWRA-UHFFFAOYSA-N 394.187 4.171 30 50 GIEA C=CCc1ccc(OCCOc2ccc(Br)cc2C=O)c(OC)c1 4828779 GXZBERVVYBKSLE-UHFFFAOYSA-N 391.261 4.457 30 50 GIEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4986234 VRPPBCLHGKQACG-MRXNPFEDSA-N 381.259 4.209 30 50 GIEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2cccnc2)CC(=O)O3)C1=O 263585106 FEIHRQSTXZRGQD-BCUAHEQISA-N 399.402 4.147 30 50 GIEA biogenic O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506431670 UVJNQSRQZQJWCA-HSZRJFAPSA-N 395.524 4.227 30 50 GIEA O=C1CCN2C(=C1C(=O)Nc1ccc(-c3ccccc3)cc1)Nc1ccccc12 100490636 FIWXVUIXNSAMBX-UHFFFAOYSA-N 381.435 4.409 30 50 GIEA Cc1cccc(C)c1N=C(O)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328607354 VVIFQLIXDDCASW-WZONZLPQSA-N 394.519 4.281 30 50 GIEA C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 241170985 KDHPHUQYGIQPGP-VVLHAWIVSA-N 384.549 4.371 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(OC)c(OC)c1 170615402 WTQYWMPLIGCHDX-OXQOHEQNSA-N 386.469 4.085 30 50 GIEA C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 1147484 YRGCRLHKRGIBGK-PDGQHHTCSA-N 396.424 4.396 30 50 GIEA C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@H]2[C@@H](C)OC(C)=O 1772820171 CFUPNMDNSQIWBB-WDIWOWGPSA-N 390.520 4.260 30 50 GIEA COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 19536554 MUKIKGVVZQODGT-OAQYLSRUSA-N 381.472 4.149 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1 170615361 WZGTXRLXEMMMBX-UNMCSNQZSA-N 380.440 4.023 30 50 GIEA N#Cc1cc(NC2CCN(Cc3cccnc3)CC2)nc2ccc(Cl)cc12 170616203 MZWMUXMOBWMMRE-UHFFFAOYSA-N 377.879 4.231 30 50 GIEA COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O 244742228 OEBNMGHOOCNHIT-UHFFFAOYSA-N 399.494 4.122 30 50 GIEA Cn1cc2c(n1)CCC[C@@H]2/N=C(/O)N1CCc2c(Cl)cc(Cl)cc2C1 328732341 IYGZHWPTZHDGGD-INIZCTEOSA-N 379.291 4.077 30 50 GIEA C=CCc1ccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 2987002 JRZBHNLJXXSMOD-UHFFFAOYSA-N 387.432 4.115 30 50 GIEA CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(=O)N3O)o2)cc1 1012036 JNRJHSSQKROMAM-LJQANCHMSA-N 378.384 4.079 30 50 GIEA aggregator O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1cccs1 6813495 VEJKOEOFZITYLM-GOSISDBHSA-N 394.427 4.061 30 50 GIEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccco2)CC(=O)O3)C1=O 263586325 SQUDOWASYIFVKP-MXDDHBLUSA-N 388.375 4.345 30 50 GIEA biogenic CCOC(=O)c1nc(N=C(O)CCc2ccc(Cl)s2)sc1C(C)=O 328600158 WERNBGRIRXIMMA-UHFFFAOYSA-N 386.882 4.458 30 50 GIEA Cc1cc(-c2ccc(C(=O)N(CC3CC3)C[C@H]3CCCO3)cc2)nc(C)c1C#N 534575960 MERQDVKIVMAKGF-OAQYLSRUSA-N 389.499 4.268 30 50 GIEA OCCC#Cc1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 12577835 RYNYDUFFGWTVFD-SANMLTNESA-N 391.555 4.018 30 50 GIEA CCOC(=O)CC1=NN(Cc2ccccc2)C(=Nc2ccccc2OC)SC1 254764834 XVGAFSFCYPYVMA-UHFFFAOYSA-N 397.500 4.241 30 50 GIEA COc1ccc(OC)c(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1 19773114 WUPCAUZHTSONQR-KOEQRZSOSA-N 389.499 4.009 30 50 GIEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 6819477 YSZDTRPWHZUCRA-XJKSGUPXSA-N 381.859 4.353 30 50 GIEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Br)cc1 3123039 BWHYCVOLLVTQTB-PGNNWUFWSA-N 385.261 4.134 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 18211418 ZRLMKXLHFGQFHY-KRWDZBQOSA-N 394.427 4.374 30 50 GIEA Fc1ccc(CN2CCN(/C(S)=N\CCc3ccccc3)CC2)c(Cl)c1 13519152 PQLCXUPBVIKFFG-UHFFFAOYSA-N 391.943 4.125 30 50 GIEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CCCCCC1)C2 14741945 KUVBMJYZADJDBM-HXUWFJFHSA-N 398.595 4.255 30 50 GIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H]2c3ccccc3C[C@H]2O)cn1 65406428 OUJQLWQBJRMMHB-QPPBQGQZSA-N 382.467 4.106 30 50 GIEA Cc1csc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@H]32)n1 230019507 MAPFOPANWXNOED-SIKLNZKXSA-N 389.528 4.322 30 50 GIEA CC(C)c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875326750 TXBRKTSYWKJISG-GFCCVEGCSA-N 381.457 4.482 30 50 GIEA O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)Nc1cccc(C(F)(F)F)c1 2529450 JMCJGWHNCDYSFS-UHFFFAOYSA-O 392.788 4.347 30 50 GIEA COc1ccc(C2=NN(/C(C)=C/C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4579167 HPNKLMMCDWJEJG-QGFLDLQWSA-N 379.416 4.247 30 50 GIEA CCCCCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21 100670127 HFDJGGYXJOILAG-UHFFFAOYSA-N 375.428 4.021 30 50 GIEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1c(F)cccc1Cl 218162034 FMLDIWTVKDETOQ-LBPRGKRZSA-N 388.778 4.017 30 50 GIEA C=CCCC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67434330 DCQIWDCFZJQOEV-UHFFFAOYSA-N 380.469 4.356 30 50 GIEA CCOC(=O)c1c(/N=C(\O)c2cc(OC)cc(OC)c2)sc2c1CCC2 951806 BWEWLXHSVUFZKK-UHFFFAOYSA-N 375.446 4.067 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 4726837 CSXMFGWJIMBNLH-OAQYLSRUSA-N 382.504 4.064 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 12342683 DLPNNFCUBFGKEH-OQLLNIDSSA-N 388.788 4.178 30 50 GIEA CCCCCCCCCCCCN([C@H](CCSC)C(=O)O)S(C)(=O)=O 101172565 IJKOQLNJXRAVFP-QGZVFWFLSA-N 395.631 4.375 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(OC)c1 1178339 WEUFNLMEWNBFPF-UHFFFAOYSA-N 398.463 4.010 30 50 GIEA COc1ccc2oc(=O)c(-c3csc(N/N=C/c4ccccc4O)n3)cc2c1 4834691 BQVFYZWGZFNSDT-UFFVCSGVSA-N 393.424 4.077 30 50 GIEA O=C(CC[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1)NC1CC1 11957450 HLAXWOALHPNKRH-QFIPXVFZSA-N 386.539 4.357 30 50 GIEA Oc1ccc2ccccc2c1/C=N/N1CCN(Cc2ccccc2Cl)CC1 19771458 AQTNIGVZOOKFSI-BUVRLJJBSA-N 379.891 4.351 30 50 GIEA COc1cccc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)c1OC 71416160 GWUDHLZPHFNDAD-UHFFFAOYSA-N 385.345 4.304 30 50 GIEA Cn1cc(/C=C2/C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)CC2=O)cn1 118916363 MEBTWHFCEXALJM-SOECGZHWSA-N 382.548 4.386 30 50 GIEA O=C(C1CCCC1)N1CCC[C@H]1/C(O)=N/[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 330064835 RLKLWRONSZYSJF-KSZLIROESA-N 392.446 4.282 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4ccnn4-c4ccc(F)cc4)C[C@@H]2C3)OC1(C)C 1875368754 NYYLJEMFVNVYOR-AOMKIAJQSA-N 397.303 4.070 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2874307 MVVWQIFGLFTBIW-KRWDZBQOSA-N 393.428 4.228 30 50 GIEA C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1cccc([N+](=O)[O-])c1 20103044 CZGKIIYBXKDQQE-HKOYGPOVSA-N 388.471 4.290 30 50 GIEA Cc1cc2sc(=N)[nH]c2cc1-c1cccc(C(=O)N2CCC(C#N)CC2)c1 534641446 FINIBFCTZUOMMH-UHFFFAOYSA-N 376.485 4.060 30 50 GIEA N#Cc1cccc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1 328606629 SEVQFMOFKJCLLT-GHTZIAJQSA-N 390.418 4.117 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 19536331 OMTLPFOXLUOKRQ-NRFANRHFSA-N 383.488 4.393 30 50 GIEA CC(C)(C)OC(=O)N1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 198481254 ZDJWODLFNSRSNA-UHFFFAOYSA-N 387.329 4.100 30 50 GIEA CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 252671927 OPQRFPHLZZPCCH-UHFFFAOYSA-N 397.645 4.461 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccn1 1082068 GYISVRBJGCQSTL-HXOBKFHXSA-N 388.467 4.006 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(F)cc1 225512874 GFBQCIOHXXOYFL-UNMCSNQZSA-N 381.447 4.211 30 50 GIEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2coc4ccccc4c2=O)CC(=O)O3)C1=O 217626511 SXRPTQSQZCKQQH-CQSZACIVSA-N 388.375 4.103 30 50 GIEA biogenic Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 245238742 AKMGOLMVBIBATQ-YLAYXSLOSA-N 382.548 4.386 30 50 GIEA COc1cc(/C=C/C(=O)c2cc(Br)ccc2O)cc(OC)c1OC 4042345 VNKAECNTPNCCBO-GQCTYLIASA-N 393.233 4.077 30 50 GIEA biogenic C=C[C@H](C)CC(=O)N1CCCC[C@H]1c1cn(-c2ccc3sc(C)nc3c2)nn1 1875337657 CEUCUICGBDQFST-LIRRHRJNSA-N 395.532 4.451 30 50 GIEA COC(OC)[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 257347376 GHVWVOCLUYXNRO-LCDLLCBDSA-N 390.520 4.049 30 50 GIEA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 952977598 QSIYVPHJJSYPKK-QGZVFWFLSA-N 387.483 4.032 30 50 GIEA CC1(C)OB([C@]23CCN(C(=O)c4ccc(OC5CCC5)cc4)C[C@@H]2C3)OC1(C)C 1875368644 HSURYMJXZQMLKZ-SBUREZEXSA-N 397.324 4.316 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 1082072 HJVJWPHAAAACPT-GCJKJVERSA-N 388.467 4.006 30 50 GIEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1csc(C)c1CC 13325892 OOJKHGACYWCURP-UHFFFAOYSA-N 390.578 4.214 30 50 GIEA OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 44005882 ISIIJJQHILZBPB-UHFFFAOYSA-N 382.091 4.056 30 50 GIEA in-vitro C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 14980831 WRFYCNGMEWKIFL-GOSISDBHSA-N 375.428 4.000 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C)cc1 225506928 JOFWFVCZYOQVJA-FPOVZHCZSA-N 379.412 4.223 30 50 GIEA N#CC1CC2(C1)CC(c1nc(-c3ccc(I)cc3)no1)C2 2325736119 CJAAGFVMDAEZMF-UHFFFAOYSA-N 391.212 4.139 30 50 GIEA C=CCc1cc([C@H]2CC(=O)Nc3cc(O)c(OC)cc32)cc(OCC)c1OC 65499823 UVRHOUMOULMDLI-OAHLLOKOSA-N 383.444 4.011 30 50 GIEA CC(=O)c1ccc(NC2=C(I)C(=O)CC(C)(C)C2)cc1 5186825 YBRGZBGSOXHSKF-UHFFFAOYSA-N 383.229 4.337 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)cc1 6819664 MTHQRDOXHLYNJH-RHSMWYFYSA-N 381.859 4.353 30 50 GIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 5704034 BTNWKMONFWMLAZ-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA O=[N+]([O-])c1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1Cl 19825902 BHQOAZUKTPHFEY-CIAFOILYSA-N 393.274 4.053 30 50 GIEA C[C@H]1C[C@@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 2050025073 RIBJFKHCXQKAFB-LRDDRELGSA-N 393.422 4.243 30 50 GIEA C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl 643420 HBTDUBYPYAXMHU-UHFFFAOYSA-N 399.347 4.445 30 50 GIEA COc1ccc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC 4857507 ZSEJGISWUBZZHW-PKNBQFBNSA-N 375.428 4.388 30 50 GIEA aggregator N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](n3cccn3)C2)cc1F 365820135 QROPBBNLXZKJQY-KRWDZBQOSA-N 391.406 4.165 30 50 GIEA Cc1cc(C)c(N=C(O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)cc1CO 328603487 GDYKLUIJZTWEFK-RBBKRZOGSA-N 391.471 4.347 30 50 GIEA C=CCc1cc([C@@H]2CC(=O)Nc3cc(O)c(OC)cc32)cc(OCC)c1OC 65499817 UVRHOUMOULMDLI-HNNXBMFYSA-N 383.444 4.011 30 50 GIEA C=C(C)CN(CC)C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 71278893 WQRWYMXEDSPUIZ-UHFFFAOYSA-N 397.607 4.096 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC(C#N)CC2)cc1 72480413 DVCVFGJEBKXJQZ-UHFFFAOYSA-N 390.462 4.423 30 50 GIEA C=CCc1cccc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c(=O)oc12 2998245 RJJWQFGIMTWMMH-HNNXBMFYSA-N 376.408 4.258 30 50 GIEA biogenic CC[C@@H]1CN(/C(O)=N/[C@@H]2CCOC3(CCOCC3)C2)CC[C@@H]1c1ccccc1 330202975 AKDLOIQWRMGOPC-NRSPTQNISA-N 386.536 4.144 30 50 GIEA C=CCn1c(SCc2cc3c(cc2Cl)OCO3)nnc1-c1ccco1 1089601 MXOOVMJYPXCASI-UHFFFAOYSA-N 375.837 4.399 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)c1 4916343 FDUMTOBNHJXEAS-APWZRJJASA-N 391.467 4.017 30 50 GIEA Cc1ccc(/N=C2\NC(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)S2)cc1Cl 15016562 HHVZVWBRANBJSZ-PFONDFGASA-N 387.823 4.001 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 836159 DITBGXOFWYRCHP-QGZVFWFLSA-N 386.245 4.247 30 50 GIEA Cc1cc(N(C)/N=C/c2ccc(Br)cc2)nc(-c2ccccc2O)n1 4977393 PLGGPUQTBWQPIL-CIAFOILYSA-N 397.276 4.390 30 50 GIEA COc1ccc(-c2cc[n+](CC(=O)c3cccc4ccccc34)cn2)cc1OC 6247735 ZMWYGGBVPRZFHH-UHFFFAOYSA-N 385.443 4.089 30 50 GIEA N#Cc1cc2c(nc1S[C@H](C(=O)NC1CC1)c1ccc(F)cc1)CCCC2 225498530 SDFJPJFJOHFLKX-IBGZPJMESA-N 381.476 4.083 30 50 GIEA N#Cc1c(-c2cccn2-c2ccccn2)cc(-c2cc(F)c(F)c(F)c2)nc1N 71762575 WLONRZWZYYQLBV-UHFFFAOYSA-N 391.356 4.472 30 50 GIEA C#CCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 585662426 ZRRBLKLCAVULNS-UHFFFAOYSA-N 381.435 4.469 30 50 GIEA in-vitro CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CCC#N)nc1-c1ccc(C)o1 5747356 IAQAUFMJUNKOPU-UYRXBGFRSA-N 385.427 4.171 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2878513 ZQAWDDJJWKPYMN-KRWDZBQOSA-N 393.428 4.228 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c(O)c1 5694973 XFZLAQRKKONWHG-FYJGNVAPSA-N 381.505 4.350 30 50 GIEA N=C(Nc1ccc(Br)cc1)/C(N)=N/c1ccc(Br)cc1 4100065 FGBSBJHFWPOPOJ-UHFFFAOYSA-N 396.086 4.290 30 50 GIEA C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccco1 2382719 IAIVRFSOELPEPI-UHFFFAOYSA-N 388.880 4.417 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc([N+](=O)[O-])o1 100415299 JZXCNYCCKBMIIO-SFHVURJKSA-N 390.395 4.125 30 50 GIEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccco2)CC(=O)O3)C1=O 263586326 SQUDOWASYIFVKP-VUQQOUJSSA-N 388.375 4.345 30 50 GIEA biogenic Cc1cccc(/C(N)=N/OC(=O)CCCOc2ccc(Cl)cc2Cl)c1 4834149 MLEOSUMYFIUZHX-UHFFFAOYSA-N 381.259 4.325 30 50 GIEA Cc1ccccc1C1(/C(O)=N/[C@H]2CCCN(C3CCCCC3)C2=O)CCOCC1 329847924 RGQNWKGKTYKQFX-NRFANRHFSA-N 398.547 4.323 30 50 GIEA N#Cc1c(-c2cccc(Br)c2)c(C#N)c2nc3ccccc3n2c1N 715153 IVVRGGAPGVLNBU-UHFFFAOYSA-N 388.228 4.243 30 50 GIEA COc1ccc(C[C@H]2S/C(=N/N=C/c3cccc4ccccc34)NC2=O)cc1 6457716 GOWBOYZYCMJMDZ-RXULLKCLSA-N 389.480 4.013 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccccc1 17180570 HZLNUPFVACAETK-IBGZPJMESA-N 377.371 4.197 30 50 GIEA C=C(C)COc1ccccc1NC(=O)N1CCC(OCc2cccnc2)CC1 96139982 GLOQEOAPRFGRJI-UHFFFAOYSA-N 381.476 4.250 30 50 GIEA COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3)cc(OC)c1OC 100128977 DBGJQXNYCJMNHM-ZDUSSCGKSA-N 378.428 4.241 30 50 GIEA CCOC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C#N)cc1)c1cccc2ccccc12 1875253450 HGAIMUKGOCTXEZ-RJGXRXQPSA-N 398.462 4.236 30 50 GIEA COc1ccc2c(c1Cl)C(=O)/C(=C\c1cn(-c3ccccc3C)nn1)CC2 2325776518 UQSDBTRWOYMGBL-PTNGSMBKSA-N 379.847 4.450 30 50 GIEA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3C#N)nc2)C1 67920537 YSSLLAVNSCBWKN-IBGZPJMESA-N 375.472 4.088 30 50 GIEA C=C(C)[C@@H]1CC=C([C@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 252694504 LOISBJJFWMKRLS-YPMMDKOUSA-N 376.460 4.125 30 50 GIEA biogenic COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OC 1158107 UKCUANBQOSQXGP-UHFFFAOYSA-N 388.847 4.485 30 50 GIEA CC1(C)Cc2ccccc2/C(=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)N1 2897324 URBCHCXZUQVVLP-UHFFFAOYSA-N 385.283 4.062 30 50 GIEA CCOC(=O)CCc1c(C)nc(SCc2ccc(C(=O)O)cc2)c(C#N)c1C 804075 OJOOEMUFFVCHAC-UHFFFAOYSA-N 398.484 4.056 30 50 GIEA CC1(C)OB(c2ccc(C(=O)NCc3ccccc3)c3ccccc23)OC1(C)C 170004505 PIEJUBPRGOFBTE-UHFFFAOYSA-N 387.288 4.069 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1c(OC)cccc1OC 328599959 UZEKSPBKBCTXNU-AUUYWEPGSA-N 386.469 4.085 30 50 GIEA COC(=O)c1ccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 252429509 XRTQDRZTEPTRGJ-UHFFFAOYSA-N 394.500 4.200 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 1082073 HJVJWPHAAAACPT-XMSQKQJNSA-N 388.467 4.006 30 50 GIEA Cc1ccccc1/N=C1/NC(=O)[C@@H](Cc2ccc(Br)cc2)S1 13477819 MYYFNSIMJPBFTJ-OAHLLOKOSA-N 375.291 4.219 30 50 GIEA CN(C)c1ccc(/C=C/C=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 2976656 HDKWVJKTVJVFKW-NOLGMLDUSA-N 385.533 4.028 30 50 GIEA CN(C)N1C(=O)C[C@H](c2ccccc2F)C2=C1C[C@H](c1ccccc1)CC2=O 1430554 JIKXBJZHSLCNTP-FUHWJXTLSA-N 378.447 4.019 30 50 GIEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 4786600 GTCTWVQERHMMOL-VLIAUNLRSA-N 394.837 4.486 30 50 GIEA C=CCn1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2ncnn2C)C2CC2)c1C 65375686 XCKCBDRZDHMXLC-OAQYLSRUSA-N 399.502 4.036 30 50 GIEA N#Cc1ccc(OC2CCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)c(F)c1 290146506 PKBCFTOSRKGPTG-UHFFFAOYSA-N 380.423 4.045 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4ccc(OC(F)F)c(F)c4)C[C@@H]2C3)OC1(C)C 1776003077 UKXWUJNAQWMSBE-VBKZILBWSA-N 397.246 4.485 30 50 GIEA COC(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C 678787 YIAIEPVCOSSEGI-UHFFFAOYSA-N 390.464 4.485 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)cc1 11843178 AYHVXDMDWRTPKQ-SANMLTNESA-N 391.555 4.016 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1OC 170618120 GIQCVMVVYQZDKU-PGRDOPGGSA-N 380.440 4.023 30 50 GIEA N#C[C@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2ccccc2o1 170623079 LQZQEGBOHTWQOT-GFCCVEGCSA-N 398.300 4.387 30 50 GIEA C=CCc1cccc(/C=N/[C@H]2C(S)=NN=C2c2cccc(OC(C)C)c2)c1O 102285656 SQODMDVMQXCWCY-VMHRPQTGSA-N 393.512 4.442 30 50 GIEA COc1ccccc1CN/C=C1/Nc2ccc(Br)c(Cl)c2C1=O 100292272 GZLZLNQBCKFSLM-UKTHLTGXSA-N 393.668 4.351 30 50 GIEA N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)cc2)cc1 241287493 LLWRRLGWCLHWRT-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA Cc1c(O)ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1C 6023536 XHVLULYLMSLTDP-UHFFFAOYSA-N 380.469 4.257 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4csc(-c5ccccn5)n4)C[C@@H]2C3)OC1(C)C 1776003206 YBBQZMHLXSFSPP-YCRPNKLZSA-N 397.353 4.263 30 50 GIEA Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccc(CN2CCOCC2)c1 67842071 UHCFPVXTBXGBFV-UHFFFAOYSA-N 384.483 4.010 30 50 GIEA CN(Cc1cnn(-c2ccccc2)c1)Cc1cn(CCC#N)nc1-c1ccccc1 121344458 PUIJDYHDBRZJDC-UHFFFAOYSA-N 396.498 4.281 30 50 GIEA COc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 239165339 NZKNVDCWLGGGHM-UHFFFAOYSA-N 383.495 4.417 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C2=O)cc1O 253413905 VYVHZBDUVNIVOI-SAGYFLTASA-N 394.423 4.456 30 50 GIEA biogenic N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CCO2)c1 861222170 FJNLLYBKNRHMSS-KRWDZBQOSA-N 393.340 4.322 30 50 GIEA O=C(c1cc([C@@H]2CC2(F)F)cc(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)F)C1 1875310057 BDTMHWRQWMFCFA-WFASDCNBSA-N 399.306 4.060 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)c(OC)c1 2801330 SLWHBWPEIAHTMP-NRFANRHFSA-N 399.487 4.015 30 50 GIEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 6492155 MWZSWUVGXKIUOS-QFIPXVFZSA-N 387.483 4.305 30 50 GIEA Cn1ncc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(C3CC3)nc21 20607622 VHVRUKGHCGYUSJ-UHFFFAOYSA-N 391.500 4.300 30 50 GIEA CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)COP(=O)(O)O 32785912 DUYSYHSSBDVJSM-DNWQSSKHSA-N 379.478 4.041 30 50 GIEA endogenous,in-man COc1ccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c(OC)c1 252429466 RKYBAESJLBUUON-UHFFFAOYSA-N 396.516 4.431 30 50 GIEA N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@]34CCOC4)cc2Cl)c1 421074031 XVISOZPPHFEDQZ-NRFANRHFSA-N 397.862 4.187 30 50 GIEA C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)c3ccccc3oc2=O)cc1 218015371 ZTUJWYKXDJUDEW-GOSISDBHSA-N 394.423 4.149 30 50 GIEA biogenic CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 847254 LMWPHZIDXOADJO-OAQYLSRUSA-N 396.531 4.310 30 50 GIEA CNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(CCCCC2CCCC2)C1=O 1875264686 ZFFGNOCJLGKRAN-MLSMKVKPSA-N 387.549 4.115 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccncc1 19761113 UIMHKPLZMQTIFC-XMSQKQJNSA-N 388.467 4.006 30 50 GIEA CCn1ncc(C(=O)/C=C/c2ccc(OC)c(Cn3cc(Cl)cn3)c2)c1C 6556029 NZVULQXIWJGGRO-FNORWQNLSA-N 384.867 4.014 30 50 GIEA S=C(NC#CCOc1c(Cl)cc(Cl)cc1Cl)N1CCCCC1 1772715392 KRASVNYLKKMRIQ-UHFFFAOYSA-N 377.724 4.347 30 50 GIEA N#Cc1c(N)nc2sc(C(=O)Nc3ccccc3)c(N)c2c1-c1cccs1 19872559 UDSYILJZDYHYSS-UHFFFAOYSA-N 391.481 4.313 30 50 GIEA Oc1ccc(Br)cc1/C=N/n1c(C2CCCCC2)n[nH]c1=S 1475372 MIZWXMCMOPAWGQ-RQZCQDPDSA-N 381.299 4.339 30 50 GIEA N#Cc1cccnc1N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 252505111 VOMHJOPFYGVCNJ-HNNXBMFYSA-N 396.248 4.107 30 50 GIEA Cc1ccc(S(=O)(=O)[C@H](N=C(Cl)Cl)C(Cl)(Cl)Cl)cc1 1466542 MPKKQPIXYDARBM-QMMMGPOBSA-N 383.511 4.299 30 50 GIEA C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 4696991 OLVUHPQORFPVJF-GZTJUZNOSA-N 375.255 4.067 30 50 GIEA Cn1ncc(/N=C/c2ccc(Cl)cc2Cl)c1C(=O)NCc1ccco1 2798436 YHOPYDARHMTSLP-DNTJNYDQSA-N 377.231 4.001 30 50 GIEA Cc1noc(COc2ccc(NCC#Cc3ccc(C(F)(F)F)cc3)cc2)n1 154902323 FPVMJCIBVLWTDI-UHFFFAOYSA-N 387.361 4.439 30 50 GIEA Fc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1 244724648 MYAORLQUVBZXFA-UHFFFAOYSA-N 377.242 4.018 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(F)cc1 244811773 SKZAEPYYNKXXRD-VABKMULXSA-N 381.447 4.224 30 50 GIEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 5445728 AMGLKJYCDXDPHG-NRFANRHFSA-N 385.419 4.478 30 50 GIEA COc1ccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1OC 4867930 IMEFZHIKHFAFAT-CSKARUKUSA-N 387.439 4.297 30 50 GIEA C=CCOc1ccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1 227143131 FXKXKEKCYNDYFR-UHFFFAOYSA-N 388.456 4.041 30 50 GIEA Br/C(C=NN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 252429336 DYNORDCFBLDDQF-CWWMYSCLSA-N 384.321 4.226 30 50 GIEA C=CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OCC 19805103 SODOQTGGIHWZFW-UHFFFAOYSA-N 396.556 4.143 30 50 GIEA N#Cc1cc(Cl)cc(Br)c1NCc1ccc(NC(N)=O)cc1 225650269 NSHFMVHKASAAAV-UHFFFAOYSA-N 379.645 4.077 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(CC)cc2c1=O 909632 BFTBQLLOZNZYIF-UHFFFAOYSA-N 399.541 4.246 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2)cc1 5595793 WNEOCCRKNAHCDN-OAQYLSRUSA-N 385.419 4.484 30 50 GIEA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)cc1 11818823 TWHNGAPRUWIPSY-HXUWFJFHSA-N 394.515 4.242 30 50 GIEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCC)c(OC)c2)c1 5408631 CWGABTNNPOQIED-FYJGNVAPSA-N 398.488 4.296 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 13130251 ANXLLNKPSOBJTQ-HXUWFJFHSA-N 388.398 4.312 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1F 225512478 BOFLBYDMPZMDEL-SIKLNZKXSA-N 398.430 4.162 30 50 GIEA CCOc1cc(C#N)c(NC(=O)COc2ccc(Cl)cc2C)cc1OCC 1076827 QZZFGIAIUGGLFV-UHFFFAOYSA-N 388.851 4.335 30 50 GIEA C[C@H]1CCCN(Cc2csc(N=C(O)c3ccc4oc(S)nc4c3)n2)C1 328592669 YYJVNEIBSJUNIW-NSHDSACASA-N 388.518 4.441 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 170615227 ZLRZGDRPNJUBGT-CTNGQTDRSA-N 379.412 4.223 30 50 GIEA COc1ccc(Br)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S 1250175 ZMNNRHTZYVUDQN-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1 1079936 PICMZBXUSNNLHB-QGZVFWFLSA-N 380.375 4.262 30 50 GIEA C=CCOc1cccc(C(=O)N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 12578072 GZEVVLVGKLCARX-QHCPKHFHSA-N 399.918 4.362 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 18244456 XNJMHGPOJZEGRY-FQEVSTJZSA-N 395.415 4.351 30 50 GIEA CC1(C)CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 23001894 OHXVILJHXXXTKH-UHFFFAOYSA-N 387.833 4.149 30 50 GIEA COC(=O)c1ccc(C/N=C(/O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)nc1 328591375 UHLQCVHGBFNLCT-SNVBAGLBSA-N 383.231 4.099 30 50 GIEA CCOC(=O)/C(=N\Nc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1 13468308 BOXGEERGDBWEHW-MOHJPFBDSA-N 396.472 4.275 30 50 GIEA C[C@@H](Sc1ccc(C#N)cc1)c1nc(-c2ccc3ncnc(O)c3c2)no1 2325736430 VBVFCCBMHDCCIH-LLVKDONJSA-N 375.413 4.110 30 50 GIEA COc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 3878646 NBVZVCGNWUPXLQ-ZLNRFVROSA-N 395.462 4.076 30 50 GIEA C/C(=N/OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 12342940 MAHYCIPBXAOGGT-GRSHGNNSSA-N 383.187 4.248 30 50 GIEA O=C(OCC(F)(F)[C@H](F)C(F)(F)F)OCC(F)(F)[C@@H](F)C(F)(F)F 118591653 YMKWZRZOSKKSFP-ZXZARUISSA-N 390.120 4.211 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1c(OC)cccc1OC 328597036 CRNJMZDKUJREBA-UTKZUKDTSA-N 398.430 4.162 30 50 GIEA N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157155 CDNGELQQMJBZGH-RUZDIDTESA-N 394.478 4.135 30 50 GIEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 2055337 SHEZOSXOKAWSLV-NRFANRHFSA-N 383.488 4.397 30 50 GIEA C=CCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 4868491 HIFPAVLGJXWLBY-UHFFFAOYSA-N 377.444 4.352 30 50 GIEA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1cccc(C)c1 18116821 AZSUBMZRCDHZOD-NKFKGCMQSA-N 375.457 4.309 30 50 GIEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2O)c1 1478849 JZCIEUVLXAOULV-GIJQJNRQSA-N 389.278 4.266 30 50 GIEA Cc1cc(C)c(C)c(OCC(=O)O/N=C(\N)Cc2cccc3ccccc23)c1 4685101 PQGDGPVYEUMDIT-UHFFFAOYSA-N 376.456 4.202 30 50 GIEA CC1=C(OS(=O)(=O)c2ccc(C)cc2)C(C)(C)[C@H](c2ccccc2)OC1=O 2343253 NTTVAJUQHSLXOQ-IBGZPJMESA-N 386.469 4.299 30 50 GIEA COc1ccc(-n2cnc(N/C(C)=C\C(C)=O)c2C(=O)c2ccccc2)cc1 5062085 KTDWOEMHANFJMS-SQFISAMPSA-N 375.428 4.017 30 50 GIEA CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 19884417 JAPUFXWPQOLQJE-IBGZPJMESA-N 398.528 4.011 30 50 GIEA COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1 1875266448 OIKGUIRGSMTFAP-UHFFFAOYSA-N 391.475 4.081 30 50 GIEA C=CCOc1c(Br)cc(CNCCc2ccccc2)cc1OC 20500244 PJQMJHDCSSXIFV-UHFFFAOYSA-N 376.294 4.355 30 50 GIEA Cc1cccc(C)c1N/C(N)=N/c1nc(C(F)(F)F)cc(C(F)(F)F)n1 55514543 MNPZNLNMVOOULK-UHFFFAOYSA-N 377.292 4.189 30 50 GIEA N/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 100509598 LBSRCOYMOTUWHH-AWEZNQCLSA-N 394.283 4.005 30 50 GIEA COc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(F)cc1 650590 BBVNTYALZZJIPK-NRFANRHFSA-N 394.402 4.369 30 50 GIEA N#Cc1ccccc1N1CCCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)CC1 171437823 OGHIYMRWTVIXJN-CYVLTUHYSA-N 399.416 4.243 30 50 GIEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 1167994 UDNUMYYUBLCWJZ-KRWDZBQOSA-N 391.345 4.203 30 50 GIEA Oc1ccc(Br)cc1/C=N/n1c(-c2ccccc2F)n[nH]c1=S 1276206 XEUSPJLZEVLAFE-QGMBQPNBSA-N 393.241 4.097 30 50 GIEA Cc1c(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cnn1C 2769878 DHMORRVQWSRTGI-RZIFZGNASA-N 382.533 4.465 30 50 GIEA CC[C@H](C)C(O)=Nc1cccc(C/N=C(/O)c2cc(O)c3c(cnn3C)c2)c1 328592838 INQANEJXWLHNFW-ZDUSSCGKSA-N 380.448 4.418 30 50 GIEA C=C(C)CNC(=O)[C@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826834 NSCZEBQCDMCGCA-QFIPXVFZSA-N 391.515 4.290 30 50 GIEA COc1cc(C#N)c(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1OC 4049782 PZNJMLNVOPCUOH-UHFFFAOYSA-N 395.406 4.081 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 5578616 PJPJZUAYAKBBTQ-SFHVURJKSA-N 383.831 4.113 30 50 GIEA Cn1cc(Cl)c(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)n1 6827985 UCOSOULDIYEWHM-CMDGGOBGSA-N 387.779 4.050 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1 18055086 PPUHWCYCQUSFTB-HNAYVOBHSA-N 397.858 4.097 30 50 GIEA O/C(=N/CCCO[C@@H]1CCCCO1)C1(c2cccc(Br)c2)CC1 328590027 WNDRYRZLXOIIBZ-MRXNPFEDSA-N 382.298 4.371 30 50 GIEA O/C(=N/[C@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328608521 ZGFDMZDTWVRSGL-JAXLGGSGSA-N 389.455 4.099 30 50 GIEA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)c1ccccc1C#N 96164784 OZCVGGQCDHHROJ-UHFFFAOYSA-N 395.934 4.238 30 50 GIEA CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccco2)C1=O 5074095 DPCNTTXFDVOJQT-UVTDQMKNSA-N 375.833 4.477 30 50 GIEA COC(=O)[C@@H](NCC(O)=Nc1cc(C)cc(C)c1)c1ccc(OC)c(Cl)c1 328593639 RVOBMAMIFRLYIR-IBGZPJMESA-N 390.867 4.057 30 50 GIEA CC(C)(NC(=O)OCc1ccccc1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 170005146 VPQHYURTSTXVOK-UHFFFAOYSA-N 395.308 4.147 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 20562233 YNBSAHKZYBKPKN-OAQYLSRUSA-N 383.488 4.393 30 50 GIEA COc1cc2c(cc1OC)C(=O)/C(=C\C1CCN(Cc3ccccc3)CC1)C2 22055510 LPMOTUSFDTTWJL-NDENLUEZSA-N 377.484 4.281 30 50 GIEA in-vitro CCO/C=N/c1sc(C(=O)OCc2ccccc2)c(C)c1C(=O)OCC 1857800401 DQWCDBAEVLPBLV-UDWIEESQSA-N 375.446 4.287 30 50 GIEA Cc1cc(C)c(-c2[nH]nc(C)c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 142676445 ICDQFUFDAFKCAX-UHFFFAOYSA-N 384.483 4.422 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1C 170615367 JAXOTGWJBUNELR-GGAORHGYSA-N 394.467 4.332 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cn1 1857525386 CSBUEGHWYWGGEI-WOQZKPIYSA-N 380.532 4.306 30 50 GIEA CC(C)(C)OC(=O)N1CCCc2ccc(CCCCN[C@@H]3CC[C@H](C#N)C3)nc21 2325801719 SZGFGDXENFBVFW-FXAWDEMLSA-N 398.551 4.374 30 50 GIEA CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1)N1CCN(C)CC1 65373929 XMCGHVZEADNPGS-QHCPKHFHSA-N 399.542 4.115 30 50 GIEA CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cc(Cl)cn3)c2)c(C)n1 6636592 JVMFKYZPQGWSHS-FNORWQNLSA-N 384.867 4.014 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1c(OC)cccc1OC 328599962 UZEKSPBKBCTXNU-LIRRHRJNSA-N 386.469 4.085 30 50 GIEA COc1ccc(CC/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)cc1 328604493 KEUQJYQAWUGXTL-FCHUYYIVSA-N 391.471 4.158 30 50 GIEA Cc1ccccc1CN1CCN(/C=C/C(=O)c2cccc(OC(F)F)c2)CC1 20028619 LQKCWXNGLPIMMS-MDZDMXLPSA-N 386.442 4.111 30 50 GIEA CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 238900246 IEFBPLMVUXKBJU-UHFFFAOYSA-N 384.955 4.338 30 50 GIEA Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 170612953 NIOAZAQSTUYPSH-RUDMXATFSA-N 378.306 4.300 30 50 GIEA C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2081415 XPYKTELUWLOTBJ-UHFFFAOYSA-N 377.513 4.470 30 50 GIEA biogenic O=C(O)/C=C/C(=O)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 2597208 PJMJPLPCWSRRDH-AATRIKPKSA-N 391.264 4.148 30 50 GIEA CSc1ccc([C@H](C(C#N)C#N)[C@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 4996428 KEAKKIJXQFDIKG-VQTJNVASSA-N 395.459 4.138 30 50 GIEA COC(=O)[C@H](NCC(O)=Nc1cc(C)cc(C)c1)c1ccc(OC)c(Cl)c1 328593640 RVOBMAMIFRLYIR-LJQANCHMSA-N 390.867 4.057 30 50 GIEA O/C(=N/[C@@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328604186 ITHSKVHKAUSHKO-JQVVWYNYSA-N 389.455 4.099 30 50 GIEA C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)o2)CCN1c1ccc(F)cn1 1857674413 HKRDSIXJTJKKGT-INIZCTEOSA-N 376.435 4.063 30 50 GIEA COc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)cc1 1198267 RWROPTFCJRZZRY-UHFFFAOYSA-N 381.229 4.352 30 50 GIEA N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)cc2)c1 252550165 SDBPVUXVNZVVEK-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA N#CCc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 1079651 ZMCPHZQOLLROPA-UHFFFAOYSA-N 375.291 4.387 30 50 GIEA CN(C)N1C(=O)C[C@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 1422746 BTHBRZDXOCYUEG-CYBMUJFWSA-N 380.410 4.141 30 50 GIEA CCOc1cc(C#N)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 4809033 KQKNRTMNVABUSC-UHFFFAOYSA-N 377.194 4.207 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 9363628 DJYNMGKJJTVXON-HXUWFJFHSA-N 395.455 4.082 30 50 GIEA N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 116616235 JHZPDFWWARELQV-UHFFFAOYSA-N 391.814 4.355 30 50 GIEA CC#CC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 15067496 PBZMIBBUAKYNSP-UHFFFAOYSA-N 385.467 4.035 30 50 GIEA O=c1c2cc(F)ccc2ncn1CC#Cc1ccc(OCCc2ccccc2)cc1 1875305685 YCVYLYHPIDWEHA-UHFFFAOYSA-N 398.437 4.209 30 50 GIEA N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 1875342107 XZIBXIUHSQQNGR-LLVKDONJSA-N 384.764 4.455 30 50 GIEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC23C(=O)CC(C)(C)CC3=O)cc1 994957 UOHWGFGFGIUWCZ-NRFANRHFSA-N 396.483 4.149 30 50 GIEA biogenic Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118934155 AKMGOLMVBIBATQ-FNXFAGBRSA-N 382.548 4.386 30 50 GIEA Cc1cc2c(cc1C)[C@@H](/C(O)=N/[C@H]1C[C@H](C)S(=O)(=O)c3sccc31)CO2 329751187 VMHNTNQPEDSBMI-RCBQFDQVSA-N 391.514 4.105 30 50 GIEA O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 252429354 GOOQPHLVRPCNFW-UHFFFAOYSA-N 394.243 4.331 30 50 GIEA COCCOc1cccc(/C=C2\COc3ccc(Br)cc3C2=O)c1 222111707 FGWUMPPDDXKSOP-NTEUORMPSA-N 389.245 4.133 30 50 GIEA C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 1150519 IXIJVLIEUAOTLO-GDNBJRDFSA-N 388.242 4.379 30 50 GIEA N#C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 1875312053 GVCPIWYMNCFBFC-QAQDUYKDSA-N 390.512 4.439 30 50 GIEA COc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 239025368 BNBJUOZMVQGVDM-UHFFFAOYSA-N 383.495 4.417 30 50 GIEA CCN(CC)C(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C 871324 QOEDOEDENGLFQE-UHFFFAOYSA-N 375.881 4.316 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1cccc(F)c1 253430009 VIULFGUCPJRUQF-DENIHFKCSA-N 398.430 4.162 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)cc(OC)c1 241338537 MBNFAKWBDNWBIJ-FYYLOGMGSA-N 394.467 4.332 30 50 GIEA C=CCn1c(SCCC[C@H](C)O)nc2sc3c(c2c1=O)CC[C@H](C)C3 170612986 UJDQCXHDKBBFIM-STQMWFEESA-N 378.563 4.022 30 50 GIEA OC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681784 ATYZUVRSTXBJLR-OWOJBTEDSA-N 376.112 4.274 30 50 GIEA in-vitro N#Cc1cccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)n1 2356156876 UUCDAXSBXCLKBR-WAGURGNTSA-N 392.547 4.129 30 50 GIEA CCCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 59745458 NXMMZTNQIJBMBC-QKIVIXBWSA-N 380.525 4.031 30 50 GIEA in-vitro Cc1cnc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@H]32)s1 230019526 DYZRPSUKMHCSGX-UGKGYDQZSA-N 389.528 4.322 30 50 GIEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc(Cl)c1)n1ncnc1N2 4786595 GTCTWVQERHMMOL-XOBRGWDASA-N 394.837 4.486 30 50 GIEA CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]12C 257358360 SZOCJNYVWVFBFU-KJTHPODNSA-N 382.500 4.209 30 50 GIEA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CC1=C(c2ccccc2)CCC1=O 952986076 DIUIGYUGPJXTGF-IBGZPJMESA-N 388.511 4.178 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 981399 KJNRNZURYASZKT-XDHOZWIPSA-N 397.427 4.083 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C#N)cc1 2730210 DQAASANCZGVMLL-HZPDHXFCSA-N 398.484 4.433 30 50 GIEA C=CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 4145425 WBVQJGNOYNLLQO-XDHOZWIPSA-N 375.403 4.059 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)c1 4916352 FDUMTOBNHJXEAS-VQIMIIECSA-N 391.467 4.017 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1ccc(Cl)cc1Cl 18208988 HZOCNBQXZIKIBC-IXJMWADBSA-N 378.284 4.158 30 50 GIEA C[C@@H](Oc1cccc(Cl)c1)C(O)=Nc1cccc(C(=O)N(C)CC(=N)O)c1 328590612 JYEPKPNMFFJJIB-GFCCVEGCSA-N 389.839 4.003 30 50 GIEA CN(C)c1ccc(/C=N/N=c2\nc(-c3ccccc3)c(-c3ccccc3)n[nH]2)cc1 4713857 AHKSURPWEVRCAQ-KOEQRZSOSA-N 394.482 4.140 30 50 GIEA C=C(C)C1(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CCOCC1 170617199 YBZVEMPAYJIKII-UHFFFAOYSA-N 391.471 4.400 30 50 GIEA Cn1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 1857525382 AKMGOLMVBIBATQ-XIIAKFOJSA-N 382.548 4.386 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1cccs1 8740720 UOAOXKCFKMDDSC-SFHVURJKSA-N 394.427 4.061 30 50 GIEA CN(C)c1ccc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)cc1 6247542 CTYKOFFXPFZESH-WMODRVCGSA-N 383.908 4.414 30 50 GIEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 1155852 ZPSOBMHFHFBWHZ-WSDLNYQXSA-N 384.423 4.315 30 50 GIEA Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 229786082 ZBXWRWJLOBAJTQ-KBMXLJTQSA-N 382.533 4.246 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc12 247640491 GWLWQRRMIMIZSS-RUHLTRSKSA-N 380.488 4.134 30 50 GIEA C=CC[C@H](CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1)c1ccccc1 2325819700 NGISMELEUHYVCF-QIJUGHKUSA-N 376.500 4.072 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccnc1 8471264 CELCHHHYMMYKBN-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA Cc1nc([C@@H]2CCCN(C(=O)C/N=C(/O)CCC3CCCC3)C2)sc1C 329658390 NKHGUZCRBOTAQR-QGZVFWFLSA-N 377.554 4.393 30 50 GIEA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OCC(F)(F)C(F)(F)F 3122988 OSUKZNOKKJAHAQ-UHFFFAOYSA-N 384.135 4.098 30 50 GIEA COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3)cc(OC)c1OC 100128971 DBGJQXNYCJMNHM-CYBMUJFWSA-N 378.428 4.241 30 50 GIEA C[C@H](/N=C(/O)N1CCOC[C@H](C2CCC2)C1)c1ccc(OCC2CC2)c(F)c1 330219377 PLNPLOBYCSDQFB-HNAYVOBHSA-N 390.499 4.338 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnc(-c5ccccn5)s4)C[C@@H]2C3)OC1(C)C 1776002727 AENWDBGASTXHIN-BTYIYWSLSA-N 397.353 4.263 30 50 GIEA N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccc(Br)c1 230136410 HXNUJUOBNNISDP-DZKIICNBSA-N 391.215 4.212 30 50 GIEA C=CCn1c(S[C@@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccncc1 170610409 LECSTDVHCRUAOZ-AWEZNQCLSA-N 390.472 4.429 30 50 GIEA C#CCCC1(CCC(=O)Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)N=N1 1875387685 STFTTXKOPXDXBT-UHFFFAOYSA-N 389.381 4.494 30 50 GIEA COc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1O 623423 RRKWWEHHCPJEQT-UHFFFAOYSA-N 395.499 4.374 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Cl)c1 4820167 GJMWEQGQSMJALU-INIZCTEOSA-N 391.876 4.016 30 50 GIEA COc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1CSc1ccccn1 6527525 JICLOXHYLHSSDS-VQHVLOKHSA-N 379.485 4.321 30 50 GIEA N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCN(Cc2ccccc2)CC1 54061438 OOGUYLCOLKEMCK-UHFFFAOYSA-N 378.863 4.189 30 50 GIEA C=CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 2284637 BYKRUCPZEOAJTK-YVLHZVERSA-N 384.775 4.158 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 5703178 QQEBJMPRMMYWCL-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA C=CCn1c(SCCC[C@@H](C)O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 170612983 UJDQCXHDKBBFIM-CHWSQXEVSA-N 378.563 4.022 30 50 GIEA O=C1[C@H](/N=C(/O)[C@@H]2CCCCC(O)=N2)CCCN1c1ccc(Cl)cc1Cl 329881830 PADQKVAXFZJJSV-UONOGXRCSA-N 398.290 4.344 30 50 GIEA C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 15067232 SYZVKLYZRMUSPP-QFIPXVFZSA-N 394.559 4.371 30 50 GIEA CCOC(=O)c1cc(C#N)c(NCc2ccccc2OC)nc1-c1ccccc1 20365489 VNHBXOMOKKNTQC-UHFFFAOYSA-N 387.439 4.418 30 50 GIEA C=CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2898916 LTRJPFCETCZNMT-UHFFFAOYSA-N 378.424 4.109 30 50 GIEA COC(=O)C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(C)cc1 1357534501 ANGOSSVZHKMDCF-DEOSSOPVSA-N 397.474 4.429 30 50 GIEA Clc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4 1741867 ZXRDOQPYPGGOII-LSFURLLWSA-N 397.891 4.422 30 50 GIEA C#CCOc1cccc(Cl)c1CNc1ccc(Cl)c(S(C)(=O)=O)c1 864011004 KZDIGERCPZFTCL-UHFFFAOYSA-N 384.284 4.021 30 50 GIEA CC(C)(C)C(=O)[C@@H]1[C@H](c2ccncc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16012897 YOCZJRFTEUKZJH-ACRUOGEOSA-N 382.467 4.098 30 50 GIEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccc2c(c1)c1c(n2CC)C(=O)CCC1 670451406 JTMYBLGVBVNGCE-MRXNPFEDSA-N 394.515 4.182 30 50 GIEA C=CCn1c(SCCC[C@H](C)O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 170612985 UJDQCXHDKBBFIM-OLZOCXBDSA-N 378.563 4.022 30 50 GIEA C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1875266601 FKEVQFYMXZDTQG-SZMVWBNQSA-N 388.471 4.044 30 50 GIEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 985239 UMMFOFNMWHVIBE-UHFFFAOYSA-N 392.786 4.382 30 50 GIEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 2055191 RMCMBHDTRLKYRL-NRFANRHFSA-N 397.515 4.179 30 50 GIEA CCOc1ccccc1N/C(=N\C(=O)c1ccccc1)Nc1nc(C)cc(C)n1 4600220 FVGQHROHZWGMSC-UHFFFAOYSA-N 389.459 4.213 30 50 GIEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(C(C)C)cc2)cc1 6876058 MQXOJCDJOWHACL-FYJGNVAPSA-N 381.505 4.334 30 50 GIEA O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C1\C(=O)Nc2ccccc21 6927936 DAUOTTBMESXLLM-YPKPFQOOSA-N 390.251 4.207 30 50 GIEA COc1cc(C#N)c(NC(=S)NCc2ccc(Cl)c(Cl)c2)cc1OC 1394905 PTOWROOCTAYYCG-UHFFFAOYSA-N 396.299 4.369 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)cc1 2794880 RZEIRNPXDMZOMK-CVEARBPZSA-N 396.468 4.209 30 50 GIEA CC(C)c1noc([C@@]23CCC[C@@H]2CN([C@@H](C)C(O)=Nc2cccc(C#N)c2)C3)n1 328605470 NWTAMBGMUGKCHM-LBUQITIBSA-N 393.491 4.095 30 50 GIEA Cc1cnc(C2CCN(/C(O)=N/C[C@]3(C)OCCc4sccc43)CC2)s1 329741390 VXCWZQQUYXBGAL-IBGZPJMESA-N 391.562 4.095 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O 1078412 POCRXBHGJYLCBE-UHFFFAOYSA-N 399.299 4.198 30 50 GIEA C=C(C)CN1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)CC1 2208247 JVGVSRKCDKQOIG-UHFFFAOYSA-N 389.547 4.392 30 50 GIEA CC[C@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)nn3C)c2C#N)C1 2752140 MJAGSMYSYRNSKR-VIFPVBQESA-N 382.411 4.139 30 50 GIEA CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)cc1 5066584 CHPUVQSJIRQUCD-CPNJWEJPSA-N 381.403 4.102 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccc(C)cc1 6743984 ZPYMNRMCAZIQBC-UHFFFAOYSA-N 378.432 4.274 30 50 GIEA CC(C)Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2ccccn2)cc1 20468776 DHJMOERIDAKEPA-GYHWCHFESA-N 393.512 4.011 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253534483 AKMGOLMVBIBATQ-MIIDCZCFSA-N 382.548 4.386 30 50 GIEA CC(C)CC[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 1473322519 YRRZPLJGWBZJMU-GOSISDBHSA-N 383.883 4.227 30 50 GIEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 1167995 UDNUMYYUBLCWJZ-QGZVFWFLSA-N 391.345 4.203 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)cc1 2794877 RZEIRNPXDMZOMK-JKSUJKDBSA-N 396.468 4.209 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)Nc1ccccc1-2 2882731 KVCRZCUMAWRTFI-GOSISDBHSA-N 378.457 4.328 30 50 GIEA C[C@H](/C(O)=N/CC1CCCCC1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 329144693 NETQEEZMWQEXJX-UYAOXDASSA-N 389.584 4.026 30 50 GIEA Cc1c(C#N)c(-c2ccc(C(=O)N(C)Cc3cc[nH]n3)cc2)nc2ccccc12 2356152045 NZCOEQXBKOKSQS-UHFFFAOYSA-N 381.439 4.077 30 50 GIEA CC(C)(C)C(=O)[C@@H]1[C@H](c2ccncc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 8657562 YOCZJRFTEUKZJH-HKBOAZHASA-N 382.467 4.098 30 50 GIEA CCOC(=O)CCCC[C@H]1CCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104276708 RVNZRRRSHCXQSL-XEMYWUMJSA-N 392.412 4.195 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118934154 AKMGOLMVBIBATQ-KWYJWUOISA-N 382.548 4.386 30 50 GIEA CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)OCCO1 257356257 HBKNLOFNSJJGPD-SOUGVNAASA-N 385.548 4.439 30 50 GIEA COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1COCC(F)(F)F 996381 JDMWBMVPDSUPMN-YBEGLDIGSA-N 391.345 4.119 30 50 GIEA CCOc1cc(C#N)cc(I)c1OCc1ccccc1C 4751440 IGUOPZVKBWILLS-UHFFFAOYSA-N 393.224 4.449 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 5047956 GRYHSJNMADRUOA-VBHHZLGVSA-N 375.856 4.033 30 50 GIEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 2060964 DBCSOWWTVKNWMJ-INIZCTEOSA-N 380.282 4.314 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 2776273 BZCSQDFFNCHEFE-IBGZPJMESA-N 389.492 4.090 30 50 GIEA N#Cc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)nc1 2356142484 UNCPFPKLTWAKAR-MLNNCEHLSA-N 392.547 4.129 30 50 GIEA Cc1c(C#N)c(N2CCC(c3nnc4n3CCCCC4)CC2)nc2ccccc12 1857666908 ABJBBVAASULMFM-UHFFFAOYSA-N 386.503 4.117 30 50 GIEA Cc1sc2ncn(/N=C/C=C3\N(C)c4ccccc4C3(C)C)c(=O)c2c1C 12444604 ASGFYKQYSVGNFZ-HENZHIBLSA-N 378.501 4.220 30 50 GIEA C=CCc1ccc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c(OC)c1 625626 ZPHCBLYKJIBUIF-UHFFFAOYSA-N 389.860 4.059 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl 629508 BBEKANQWVRMWNA-SFHVURJKSA-N 377.843 4.256 30 50 GIEA CCCCCCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21 2390849 HVDASPIVRKFCQK-UHFFFAOYSA-N 379.460 4.325 30 50 GIEA Oc1c(Br)cc(Br)cc1/C=N/NCc1ccccc1 2895644 XTISYVRZTWVHGB-GIJQJNRQSA-N 384.071 4.041 30 50 GIEA biogenic Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253531306 IMHWUDTYEQIITA-RUSAPQJBSA-N 380.532 4.306 30 50 GIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Br)cc2)c1 5932607 RUOBLZRUSVACAT-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CSc1nc(C)c(CC(=O)c2ccc(Br)cc2)c(C)c1C#N 855611 QTSLKEBSYIYMQW-UHFFFAOYSA-N 375.291 4.480 30 50 GIEA C(#C[Si](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 169817512 BBVOORFIXBLFFX-UHFFFAOYSA-N 384.554 4.431 30 50 GIEA in-vitro CCOc1ccc(-c2cs/c(=N\N=C\c3ccc(OC)cc3OC)[nH]2)cc1 5593087 FWMMBIDUAVSZGZ-CIAFOILYSA-N 383.473 4.094 30 50 GIEA C[C@H](N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 105258580 VQRLBWJYBZGWPM-MEZWHVQBSA-N 382.529 4.236 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1O 1120481 IBPPJNFOJCKXGI-UHFFFAOYSA-N 394.500 4.184 30 50 GIEA C[C@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)Cc1cccc2ccccc12 4978555 SYGZFJUXYZNENR-AWEZNQCLSA-N 382.847 4.319 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)cc1 2794879 RZEIRNPXDMZOMK-HOTGVXAUSA-N 396.468 4.209 30 50 GIEA CCOc1cc(C#N)c(NC(=O)COc2c(C)cc(C)cc2C)cc1OCC 1080187 UPEYEBAQAJVEGA-UHFFFAOYSA-N 382.460 4.298 30 50 GIEA C#Cc1ccc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)cc1 12209749 YKPOLFXJCYRULC-VWLOTQADSA-N 380.576 4.304 30 50 GIEA C=CCOc1cccc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)c1 12749465 RSZADRPENHUYSM-QFIPXVFZSA-N 378.516 4.031 30 50 GIEA COc1c(C(O)=Nc2ccc3c(c2)OC2(CCCCC2)O3)cnc2c1cnn2C 329335607 OQZYQNKERUIRFO-UHFFFAOYSA-N 394.431 4.045 30 50 GIEA C=CCOc1ccccc1CN1CCC(CO)(CCOc2ccccc2)CC1 13593632 RKVLWPQWFUIKJM-UHFFFAOYSA-N 381.516 4.295 30 50 GIEA N=C(O)Cc1csc(N=C(O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)n1 328604878 LRSRGDKXFZBGSN-FOIQADDNSA-N 384.505 4.111 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cc1C 2544611 XOAXAMMRVMYABX-UHFFFAOYSA-N 378.501 4.479 30 50 GIEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 12385028 MEQRVCMWCLVXAP-CKBSFLJSSA-N 398.409 4.196 30 50 GIEA COc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1O 252429318 BYKIBMZSNQDEBY-UHFFFAOYSA-N 399.494 4.122 30 50 GIEA CN(C)N1C(=O)C[C@@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 1422747 BTHBRZDXOCYUEG-ZDUSSCGKSA-N 380.410 4.141 30 50 GIEA C=CCNc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCCO3)s1 1802726 MKYXLNHURODDCY-UHFFFAOYSA-N 393.468 4.432 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1Cl 25695119 UXDAKVIHQFKNHR-QGZVFWFLSA-N 389.879 4.126 30 50 GIEA O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253400368 DXBGFOGRQMVXQW-BDBXIWDTSA-N 384.387 4.449 30 50 GIEA biogenic C[C@@H]1C[C@H]1c1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 1857800770 MOPDKQWGDCIKEQ-CZUORRHYSA-N 375.432 4.104 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)o1 781144 BXHYNXULWASURE-RNODOKPDSA-N 383.469 4.184 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccncc1 1225103 PMWMIYNGQUCIBB-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1OC 5352471 CVOMCQGQTVCGIG-UHFFFAOYSA-N 383.835 4.227 30 50 GIEA C=CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 12595357 TXBPZBDGZYVVPS-IBGZPJMESA-N 389.455 4.391 30 50 GIEA N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3cccs3)no2)CC1 109463370 QMVVWNZEPDKHJG-UHFFFAOYSA-N 393.428 4.302 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)C1CC1)c1ccnc2ccc(OC)cc12 245226218 KWCBVDIPTCNUQC-UPIOFCATSA-N 392.499 4.134 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)cc(OC)c1 253431072 GIUBYORGZKPLAE-RBBKRZOGSA-N 398.430 4.162 30 50 GIEA Sc1nnc(-c2cccnc2)n1/N=C/c1cccc(OCc2ccccc2)c1 5650000 WLEAPQJVLQDRSH-YDZHTSKRSA-N 387.468 4.090 30 50 GIEA N#Cc1cccc(COc2cccc(CNCc3ccc(F)c(CO)c3)c2)c1 131991706 JKVSZBFXOUZGJH-UHFFFAOYSA-N 376.431 4.058 30 50 GIEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)o1 1506409958 AZTYCGPFNADYSE-OAHLLOKOSA-N 394.496 4.032 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 6819669 ZICRGFIMPXXPPD-QAPCUYQASA-N 381.859 4.353 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccsc1 19925557 VEIIRROROXNMAY-ACJLOTCBSA-N 385.510 4.344 30 50 GIEA COc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 20470068 KBLAWEKNXODCJI-KVVJQUGZSA-N 377.484 4.464 30 50 GIEA Cc1nccn1CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 158995530 DRCKEMMRLPZHKX-UHFFFAOYSA-N 389.459 4.410 30 50 GIEA O/C(=N/[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCO[C@H](c2cccc(O)c2)C1 329988490 HGPXVDYCPYCJIU-QRFRQXIXSA-N 386.879 4.279 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnc(-c5ccccn5)s4)C[C@H]2C3)OC1(C)C 1776002729 AENWDBGASTXHIN-VFNWGFHPSA-N 397.353 4.263 30 50 GIEA CCCC/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCC 13843022 FBDHWBRGKZJNCB-SGRLSNSRSA-N 375.538 4.224 30 50 GIEA C#CCCC1(CCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)N=N1 2325892480 OQNKYOHXMMUPSG-UHFFFAOYSA-N 397.866 4.237 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 6782328 XYONNMWQEMBDOM-NRFANRHFSA-N 393.483 4.425 30 50 GIEA Cc1ccccc1OCCOc1c(Cl)cc(/C=N/n2cnnc2)cc1Cl 2969158 XQGBDVKHSVOSKL-AUEPDCJTSA-N 391.258 4.233 30 50 GIEA CC(=O)C1=CN(Cc2ccccc2)C=C(C(C)=O)C1c1ccccc1[N+](=O)[O-] 811422 ONEIHOZCVIRHPW-UHFFFAOYSA-N 376.412 4.140 30 50 GIEA C=CCOc1c(Cl)cc(CN2CCC[C@@H]2c2nonc2C)cc1OCC 55225968 FJIREJUXDMQOCO-MRXNPFEDSA-N 377.872 4.332 30 50 GIEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O 1077453 YJTQLWNWLZXEHS-UHFFFAOYSA-N 387.486 4.461 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F 1201799 CFXXPOTWODJKBP-KSFYIVLOSA-N 391.442 4.360 30 50 GIEA Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1 2977885 QFZYYSLDFUKJPP-AUEPDCJTSA-N 391.258 4.233 30 50 GIEA O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)o2)c1 4195041 QICQBGHRFUCTCQ-SRZZPIQSSA-N 399.370 4.120 30 50 GIEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2 880792656 GFMCPOUBFSTUTJ-SJLPKXTDSA-N 392.484 4.034 30 50 GIEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)C[n+]1ccccc1 1857801103 JCXKLDMPWBYJSG-DRKCKIEBSA-N 394.579 4.483 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccncc1 778520 IYBZWOANYNAOSM-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1181878 BOQIDTZDXVUNQF-INIZCTEOSA-N 390.208 4.077 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(C)c1 1113454 APDKWJIHVBYFKU-UHFFFAOYSA-N 394.500 4.179 30 50 GIEA Cn1cc(Cl)c(C(=O)/C=C/c2ccc(COc3ccc(F)cc3F)o2)n1 6827989 XDMQCLBMWGVOCR-AATRIKPKSA-N 378.762 4.420 30 50 GIEA O=C(O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 12652595 ZUQORNFFLPDYLV-OAQYLSRUSA-N 396.468 4.120 30 50 GIEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccncc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 8556207 YOCZJRFTEUKZJH-NJYVYQBISA-N 382.467 4.098 30 50 GIEA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C#N)C1 1056017 RDKLUXSLRSOVCZ-LLVKDONJSA-N 385.445 4.304 30 50 GIEA Cc1ccccc1N/C(=N\OCc1ccc(Cl)cc1Cl)c1nonc1N 13286594 MXSNYIQUCKGAIC-UHFFFAOYSA-N 392.246 4.258 30 50 GIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](COC)c2ccccn2)cn1 65467618 CCGLGVNRJKKKBV-NRFANRHFSA-N 385.471 4.230 30 50 GIEA CCc1cc2c(CC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)csc2s1 1300398964 IXJNXYRRUWUVHJ-SFHVURJKSA-N 384.526 4.131 30 50 GIEA N#Cc1c(OCC(F)(F)F)ccc(Br)c1OCC(F)(F)F 2581943 LMWGWGQYRSNKJZ-UHFFFAOYSA-N 378.066 4.203 30 50 GIEA COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)cc1 3410572 YHKRNCDEYHFWRG-UHFFFAOYSA-N 380.835 4.378 30 50 GIEA COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc(Br)cc1 4758470 UAYUFBDVTIWTDM-CMDGGOBGSA-N 377.194 4.174 30 50 GIEA CSc1ccc(CNC(=O)c2cnc(CCC(F)(F)F)s2)cc1C#N 829623597 UPRNYNDHDTZMOU-UHFFFAOYSA-N 385.436 4.162 30 50 GIEA C=CCc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 5073687 POXGDXUMCZNRCN-HSZRJFAPSA-N 395.543 4.118 30 50 GIEA CCCCOc1ccc(C(=O)O/N=C(\N)c2cccc(Br)c2)cc1 4831975 VGIRMEVVGZWCOH-UHFFFAOYSA-N 391.265 4.105 30 50 GIEA Cn1cc(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccccc23)c(-c2ccc(C#N)cc2)n1 328605253 MWQQMFOAMDTQSY-RDPSFJRHSA-N 398.466 4.156 30 50 GIEA COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(F)cc1 4060335 APMIXALHJRVEMD-SSDVNMTOSA-N 387.798 4.002 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1 4916311 RTLZXXQPBAOOBT-KXBFYZLASA-N 391.467 4.017 30 50 GIEA C=CCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 12430484 XWXWLBSORHRJRP-UHFFFAOYSA-N 382.470 4.385 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 6025277 DCGRXFWBXNQDAP-OAQYLSRUSA-N 384.435 4.169 30 50 GIEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 5101368 GJKBLLQFNSSGEZ-QFIPXVFZSA-N 387.483 4.305 30 50 GIEA C=CCc1ccccc1OCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 8770048 QPWUXGUDIVSIEA-UHFFFAOYSA-N 396.472 4.498 30 50 GIEA COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 9348906 JIMRNSVFPBQRSP-FATZIPQQSA-N 376.456 4.468 30 50 GIEA biogenic,in-vitro Cc1ccc(S(=O)(=O)/N=C(/Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 12523967 OUQWYMQSPJQFGJ-UHFFFAOYSA-N 395.440 4.151 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)cc1OC 4915388 QMTATCFESREEKW-MSOLQXFVSA-N 391.467 4.017 30 50 GIEA C=CCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 4457152 NCOUOLBCPNYWFF-XNTDXEJSSA-N 383.385 4.004 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 9087741 SYLSFEGJOFDZEQ-IBGZPJMESA-N 383.419 4.213 30 50 GIEA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)cc1 12056737 MIMTYIBBUXFDHG-JOCHJYFZSA-N 393.552 4.237 30 50 GIEA CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccccc1O 2325723339 WWHMGIBCMHWXLA-HXUWFJFHSA-N 394.519 4.477 30 50 GIEA CC(C)(C)OC(=O)N1CCCc2ccc(CCCCN[C@@H]3CC[C@@H](C#N)C3)nc21 2325801722 SZGFGDXENFBVFW-YLJYHZDGSA-N 398.551 4.374 30 50 GIEA CCc1c(C)sc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1C#N 814890 DERQFVRMYBNLHC-OAHLLOKOSA-N 391.855 4.415 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)nc1Cl 25695219 QPZQGEUNQQYGMK-OAHLLOKOSA-N 395.286 4.165 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C2=O)cc1O 253413906 VYVHZBDUVNIVOI-VAODSVERSA-N 394.423 4.456 30 50 GIEA biogenic N#Cc1cccc(N2CCC(C3CCN(Cc4ccccc4F)CC3)CC2)n1 1857723838 YVRRNGYBZPFYIJ-UHFFFAOYSA-N 378.495 4.221 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 4820077 RQNZOYQKNWCYEL-SFHVURJKSA-N 399.512 4.270 30 50 GIEA CCn1cc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccc(Cl)cc3n2)cn1 20543003 ORGMWDJQXQAZQK-UHFFFAOYSA-N 393.878 4.147 30 50 GIEA C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc21 32593373 NUDSJXMWXACNJP-UHFFFAOYSA-N 380.375 4.044 30 50 GIEA Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1-c1nc2cc(CO)cc(Cl)c2o1 1848349932 BNPCLCWFIGPNEX-UHFFFAOYSA-N 399.683 4.248 30 50 GIEA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 709944 DGDYPHRDGIZXOY-QHCPKHFHSA-N 391.467 4.342 30 50 GIEA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C[n+]1ccccc1 1857801105 JCXKLDMPWBYJSG-RGAJKIOOSA-N 394.579 4.483 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccc(OCc2ccccc2)cc1 4530001 JHUWASXXJAGXKE-NRFANRHFSA-N 376.456 4.263 30 50 GIEA Cn1ccc(C(=O)/C=C\c2ccc(COc3ccc(Br)cc3)o2)n1 6828252 VZHNDSDCOOXCMJ-HJWRWDBZSA-N 387.233 4.251 30 50 GIEA COCCOc1c(Cl)cc(NC(=O)c2ccc(/C=N/OC)cc2)cc1Cl 170591602 LEQZHZBBCHLDEV-SRZZPIQSSA-N 397.258 4.251 30 50 GIEA C#CCCC1(CCC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)N=N1 1775996836 KDUIWEPWKWPOJB-UHFFFAOYSA-N 376.460 4.148 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1cccc(OC)c1 1440880 PQSYMEZHCDDXSL-LAUBAEHRSA-N 383.419 4.066 30 50 GIEA COc1ccc([C@H](CC(=O)c2ccccc2)C(Br)(C#N)C#N)cc1 3073457 ZRSKQGYWJRYAPO-KRWDZBQOSA-N 383.245 4.233 30 50 GIEA COc1cccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1O 4989753 ZDLFXDFGNUKRTB-BUVRLJJBSA-N 397.438 4.366 30 50 GIEA C=CCOc1ccccc1CN1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 15063150 UAMLVUTYGZEOPA-HSZRJFAPSA-N 387.470 4.347 30 50 GIEA CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@]12C 257358358 SZOCJNYVWVFBFU-HJCADZPFSA-N 382.500 4.209 30 50 GIEA N#C[C@H](C(=O)c1ccc(C2CC2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 1875277944 OTWVCRBPFVDAHE-GFCCVEGCSA-N 379.441 4.236 30 50 GIEA C=CCSc1nc2nc3c(cc2c(=O)n1-c1cccc(C)c1)COC(C)(C)C3 1808155 BHHVSRCKRHEYNK-UHFFFAOYSA-N 393.512 4.219 30 50 GIEA CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)nn3C)c2C#N)C1 2752141 MJAGSMYSYRNSKR-SECBINFHSA-N 382.411 4.139 30 50 GIEA CCc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 2837308 AQZSUOKFVOQSED-OAQYLSRUSA-N 385.419 4.476 30 50 GIEA O=C(CC/C(O)=N/C1CCCC1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 328751238 CJFWBPUTSBQNKV-XMMPIXPASA-N 397.563 4.180 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 639180 LOGXGPQOJBJYHT-AWEZNQCLSA-N 396.270 4.094 30 50 GIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 6819570 CUQAOGZOLKHPLO-AZUAARDMSA-N 375.468 4.262 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1C 170615366 JAXOTGWJBUNELR-FYYLOGMGSA-N 394.467 4.332 30 50 GIEA Cc1ccc(OCc2ccc(-c3cc(C#N)c(N4CCNCC4)o3)o2)cc1C 1857800288 NZDNSIAOTWWIPS-UHFFFAOYSA-N 377.444 4.017 30 50 GIEA Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccc(Cl)cc32)cc1 978671 NUBIAMYIRQBKRF-RELWKKBWSA-N 387.892 4.149 30 50 GIEA CCOc1cc(/C=N/n2c(-c3ccccc3C)nc3ccccc3c2=O)ccc1O 2847370 UQSGSIALYJORCD-MFKUBSTISA-N 399.450 4.358 30 50 GIEA O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1 9009886 RRRVBNJQXGWEIM-FRFYRWIFSA-N 382.419 4.264 30 50 GIEA Cn1cc(/C=C2/C[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]5O)[C@@H]4CC[C@@H]3CC2=O)cn1 118916366 MEBTWHFCEXALJM-JKHSPZPZSA-N 382.548 4.386 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccs1 225510846 OLCASSOXVDMHGR-OXQOHEQNSA-N 386.469 4.085 30 50 GIEA N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1cccs1)N1CCCCC1 1857798468 IBCQNGUSRARNFI-QGZVFWFLSA-N 379.489 4.309 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)o1 781145 BXHYNXULWASURE-RBZFPXEDSA-N 383.469 4.184 30 50 GIEA COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1 20606226 MISIIQDPFZXAMH-FQEVSTJZSA-N 395.430 4.355 30 50 GIEA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1ccccc1C#N 95508743 LDKJVIMECGZYNY-UHFFFAOYSA-N 389.543 4.284 30 50 GIEA C=CCN(CC=C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 12054851 PAABEJDNOGSLKK-UHFFFAOYSA-N 385.895 4.326 30 50 GIEA CC(=O)c1ccccc1/C=C/C=N/N1CCN(Cc2ccccc2Cl)CC1 19798946 GEQKJNCTBLZQJV-XKMLUPIFSA-N 381.907 4.359 30 50 GIEA COc1ccc(NC(=O)CC[C@@H]2CCCN(c3ncccc3C#N)C2)cc1Cl 95513208 WXJZMHCSIBBUAU-HNNXBMFYSA-N 398.894 4.251 30 50 GIEA COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)O)c2C#N)cc1 712192 LBQWBYYTMGYKKS-UHFFFAOYSA-N 376.437 4.473 30 50 GIEA CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N\OC(=O)NC1CCCCC1 5383539 ZKXCPDSAWCNDGO-FXBPSFAMSA-N 377.441 4.435 30 50 GIEA Cc1cc(O)ccc1N/C=C/C(=O)c1ccc(Br)cc1 160165463 POZUVCXADUBVHV-IBGZPJMESA-N 332.197 4.272 30 50 GIEA Clc1ccccc1CN1CCN(N=Cc2ccc(Br)cc2)CC1 238900010 HPMTZLYMZFAYAE-UHFFFAOYSA-N 392.728 4.254 30 50 GIEA COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc2c(c1)OCO2 252460129 BXNFOBNRWXOKDB-GFCCVEGCSA-N 378.428 4.177 30 50 GIEA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CC1=C(c2ccccc2)CCC1=O 952986079 DIUIGYUGPJXTGF-LJQANCHMSA-N 388.511 4.178 30 50 GIEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1F 1079502 SMDDECGZLUBREP-OAHLLOKOSA-N 380.375 4.262 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 2776298 MIYNKWDKXBXMJY-IBGZPJMESA-N 389.492 4.090 30 50 GIEA CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc2c(c1)OCO2)OCO3 4127508 XJIYBIVFOVAJJV-NRFANRHFSA-N 391.423 4.345 30 50 GIEA OCCC#Cc1ccc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 12577840 RYNYDUFFGWTVFD-AREMUKBSSA-N 391.555 4.018 30 50 GIEA Cc1ccccc1-c1nnc(S)n1/N=C/c1c(C)nn(-c2ccccc2)c1C 6056259 AJPQHSRZKDERPF-LPYMAVHISA-N 388.500 4.227 30 50 GIEA COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 9348908 JIMRNSVFPBQRSP-QKFKETGDSA-N 376.456 4.468 30 50 GIEA biogenic,in-vitro C=CCN(Cc1ccco1)C(=O)c1ccccc1N(C)C(=O)c1cccs1 63845630 GUCMGDYKNUNQQS-UHFFFAOYSA-N 380.469 4.446 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc12 97050941 MOKZRODHZCOADN-HXUWFJFHSA-N 378.472 4.335 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253534484 AKMGOLMVBIBATQ-UQGGMKPISA-N 382.548 4.386 30 50 GIEA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCCc2c(C#N)cccc21 1326332379 DWHBSDWMMRCTLT-UHFFFAOYSA-N 388.446 4.022 30 50 GIEA COC(=O)C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(C)cc1 1357534507 ANGOSSVZHKMDCF-XMMPIXPASA-N 397.474 4.429 30 50 GIEA C[C@@H]1CCCN(Cc2csc(N=C(O)c3ccc4oc(S)nc4c3)n2)C1 328592668 YYJVNEIBSJUNIW-LLVKDONJSA-N 388.518 4.441 30 50 GIEA CCCC(C)(C)NC(=O)C(O)=Nc1ccnn1Cc1ccc(Cl)c(F)c1 328596709 RQAOGIZTUQOYMU-UHFFFAOYSA-N 380.851 4.007 30 50 GIEA CC[C@H]1c2ccsc2CCN1C(=O)CNC1(c2cccc(C#N)c2)CCC1 2325755673 BUPACNLUZFZXCA-IBGZPJMESA-N 379.529 4.125 30 50 GIEA CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cccc(O)c2)C1=O 4706945 UXSBIOMWNHWJPW-ATVHPVEESA-N 381.453 4.244 30 50 GIEA CCOc1ccc(-c2cs/c(=N/N=C/c3ccc(OC)c(OC)c3)[nH]2)cc1 5165405 NIHLCNUDXCHTOH-CIAFOILYSA-N 383.473 4.094 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1F 17953502 YSAUUYGEZQCEEU-FQEVSTJZSA-N 397.446 4.057 30 50 GIEA Cc1nn2c(ncc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1ccc(F)cc1 19821353 IDDMXWMQUVAGHY-UHFFFAOYSA-N 395.397 4.020 30 50 GIEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 1857798951 HEJNZTNLLXBFJZ-RTBURBONSA-N 375.428 4.317 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 2923009 QZBOEMAUVRVFAW-IBGZPJMESA-N 389.492 4.090 30 50 GIEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 5092735 UIAFVGXJOGXMDC-HXUWFJFHSA-N 379.485 4.058 30 50 GIEA C=C(C)[C@@H]1CC=C([C@@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 252694503 LOISBJJFWMKRLS-HAVKTDHXSA-N 376.460 4.125 30 50 GIEA biogenic C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@@H]1CNc1ccc(C#N)nc1 1875338570 CADKKXPZRHXBGG-QAPCUYQASA-N 390.512 4.378 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)c(Cl)c1 4945338 IZUBCQLZCCDFGY-IBGZPJMESA-N 389.879 4.270 30 50 GIEA COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCC4)o2)cc1 20601966 VGUUEOBEFWRCLG-UHFFFAOYSA-N 375.428 4.262 30 50 GIEA O=[N+]([O-])c1ccc(N/N=C2/COCCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 43761603 WLVJURWZECJPCF-FEPWSPQYSA-N 382.376 4.165 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(C)cc1 225512756 DZXBPKJFAQRXFM-JTHBVZDNSA-N 377.484 4.380 30 50 GIEA N#CC1(NC(=O)[C@H]2CC[C@H](c3ccccc3)C2)CCN(Cc2ccccc2)CC1 1857532947 GFCYLTXDXNQSLG-GOTSBHOMSA-N 387.527 4.245 30 50 GIEA C#CCCC1(CCNC(=O)CCc2nc3ccccc3n2-c2ccccc2)N=N1 2325890981 KDROOZJWBUHLPS-UHFFFAOYSA-N 385.471 4.040 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 1056992 CXPIIUIXCWRHFQ-UHFFFAOYSA-N 395.484 4.123 30 50 GIEA CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C#N)C1 2764140 QIPWTHGOZRPTJA-GFCCVEGCSA-N 385.445 4.060 30 50 GIEA Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1 3861638 GDXUEUWCUUAZFM-UHFFFAOYSA-N 378.497 4.115 30 50 GIEA in-vitro O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 17081178 KHHUOSGSCCMGJA-XJKSGUPXSA-N 396.830 4.253 30 50 GIEA Cc1cc2c(Br)ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)c2o1 785881861 ZOOUAOLJEZXQEA-HNNXBMFYSA-N 397.228 4.465 30 50 GIEA CC1CCN(c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[N+](=O)[O-])CC1 4797620 KMUQDYUJWBKZJI-UHFFFAOYSA-N 376.412 4.294 30 50 GIEA N#Cc1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 916976 QVDBAZSMFIPLAN-HNNXBMFYSA-N 391.374 4.019 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](C#N)C2)c(F)c1 72429319 IHRPOCJCKOFUGM-QGZVFWFLSA-N 390.462 4.423 30 50 GIEA N#Cc1ccc(C(F)(F)F)c(N2CCc3c(cccc3N3CCOC3=O)C2)c1 125813684 ANNNKJFDVILUAZ-UHFFFAOYSA-N 387.361 4.096 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1 2374676 QPKDQZHKRCDZGF-UHFFFAOYSA-N 393.516 4.380 30 50 GIEA C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 4386010 SZPHNTVYQCLCJI-LJQANCHMSA-N 389.499 4.397 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1C 1113401 KFFUNETWWXTNAC-UHFFFAOYSA-N 394.500 4.179 30 50 GIEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 2235734 HNDYSJUXSADAAZ-DJKKODMXSA-N 379.272 4.431 30 50 GIEA COc1ccc(C(=NNc2ccccc2C(=O)O)c2ccc(OC)cc2)cc1 4646496 UCMMLUOVWVNVDJ-UHFFFAOYSA-N 376.412 4.267 30 50 GIEA biogenic COc1ccccc1/C=N/n1c(-c2ccccc2Br)n[nH]c1=S 5609279 RPWHSMBTHYWDLG-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 13810440 NUBQUSBUAMLXJD-UNOMPAQXSA-N 378.472 4.061 30 50 GIEA Cc1ccc(/N=C2\NC(=O)C[C@@H](C(=O)Nc3cccc4ccccc34)S2)cc1 16945337 AEKJRCSYXSJEIB-IBGZPJMESA-N 389.480 4.396 30 50 GIEA COc1ccccc1/C=C1\CN(C(C)C)C/C(=C\c2ccccc2OC)C1=O 20470070 OBGYKFYLULQMOI-KVVJQUGZSA-N 377.484 4.464 30 50 GIEA C/C(=N\N=c1\[nH]c(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])cc1 43761245 BZZALXZUQMQGCD-LPYMAVHISA-N 378.457 4.465 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1 170615209 KLXNLCJBWBQLQU-IRLDBZIGSA-N 398.430 4.162 30 50 GIEA C#CCCC1(CCOC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=N1 2325900383 WGXWGAHSBCRFGW-GOSISDBHSA-N 399.491 4.021 30 50 GIEA N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)c2)cc1 241965774 UVOATTOLPFUJBS-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(Br)c1 6102789 AABYTNPBQJJJLW-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA CC(=O)Nc1cccc(CO/N=C/c2cccc(OCc3ccncc3)c2)c1 170620649 WNLCWPHPZCACKH-ZVHZXABRSA-N 375.428 4.170 30 50 GIEA Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@H]3C#N)c2)n1 1875353120 KIKAOJXLFUADIY-KBXCAEBGSA-N 383.883 4.303 30 50 GIEA CCn1c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)nc2cc(C#N)ccc21 132086446 MVFWHYCPDHHCSE-UHFFFAOYSA-N 398.470 4.042 30 50 GIEA Cc1nc([C@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n[nH]1 170607518 URUUIFFFWUZJJM-FQEVSTJZSA-N 385.515 4.193 30 50 GIEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@@]5(/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 1857526832 DQUBYFKUBFHVEG-ZNJCENDXSA-N 387.520 4.479 30 50 GIEA O=c1c2c3c(sc2ncn1/N=C\c1ccc(-c2ccccc2)o1)CCCC3 1155235 XCXCDCSEXGQYFN-FMCGGJTJSA-N 375.453 4.479 30 50 GIEA C=CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)c(OCC=C)c1 2850158 LOTQAPTWAOYNQR-UYRXBGFRSA-N 379.387 4.300 30 50 GIEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 17081180 KHHUOSGSCCMGJA-BBRMVZONSA-N 396.830 4.253 30 50 GIEA C[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c2C#N)C1 20606246 OUNLLZKXHUCYEX-VXGBXAGGSA-N 385.445 4.059 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1Cl 25695350 LLAVYNCRKPBOEK-KRWDZBQOSA-N 377.843 4.256 30 50 GIEA C#CCOc1cc(F)ccc1NC(=O)c1csc(-c2ccccc2OC)n1 155117560 UHTKQKOEGYCMRE-UHFFFAOYSA-N 382.416 4.222 30 50 GIEA Cc1ccc(C2(/C(O)=N/[C@H]3CCCN(C4CCCCC4)C3=O)CCOCC2)cc1 329827465 JCARXMLOCOFFAP-NRFANRHFSA-N 398.547 4.323 30 50 GIEA Sc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1475907 MJJQOTPHTZFWKL-DJKKODMXSA-N 379.272 4.335 30 50 GIEA C=CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 2812409 OVTPINAIVKIBDI-UHFFFAOYSA-N 396.874 4.145 30 50 GIEA biogenic,in-vitro COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)cc1 217661148 LOMSSWFBGZSYEN-YLRSXTQRSA-N 388.375 4.345 30 50 GIEA biogenic O=C(O)c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 239121206 JMTJBFCFLDSNMF-UHFFFAOYSA-N 393.255 4.121 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 1187506 KMBRXIOEAKFHLA-AOMKIAJQSA-N 377.440 4.123 30 50 GIEA COc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br 1239311 RVWKGDGMFLTYJH-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2sccc2C)C2=C(CCCC2=O)N1 5130802 VULKTCWXKVCBLB-LJQANCHMSA-N 379.485 4.058 30 50 GIEA CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1 12945692 XAUJQBROKJNFIM-LJQANCHMSA-N 393.395 4.050 30 50 GIEA N#CCCn1cc(CNc2ccn(Cc3ccccc3)n2)c(-c2ccccc2)n1 151403159 FIYKEJLOJHNOQH-UHFFFAOYSA-N 382.471 4.321 30 50 GIEA Cc1ccc(CN2CCN(N=Cc3ccccc3C(F)(F)F)CC2)c(C)c1 252394329 IQWVFGRXSAEHDJ-UHFFFAOYSA-N 375.438 4.474 30 50 GIEA CCN(C(=O)C#Cc1ccccc1Cl)[C@@H](C)c1ccc2c(c1)OCCCO2 2325827571 KFUGKFFSSZOHRO-INIZCTEOSA-N 383.875 4.463 30 50 GIEA CC(C)n1cc(-c2cc(C(=O)N3CCC(C#N)CC3)c3cc(F)ccc3n2)cn1 20235112 MGPIJUQEUMFJIR-UHFFFAOYSA-N 391.450 4.194 30 50 GIEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F 12385027 MEQRVCMWCLVXAP-TZFGQJNGSA-N 398.409 4.196 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 19300828 KYFNWKGRPCBHHE-LJQANCHMSA-N 383.488 4.252 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OC 170618123 GIQCVMVVYQZDKU-GCJKJVERSA-N 380.440 4.023 30 50 GIEA CN(C)c1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 238997469 AIAWKGJXYBOXFS-UHFFFAOYSA-N 392.315 4.489 30 50 GIEA COc1ccc(CC[C@@](C)(O)C#CCN2CCCC[C@H]2c2cccnc2)cc1 245226127 IRUDFFVUOWSUDD-ZEQRLZLVSA-N 378.516 4.004 30 50 GIEA biogenic C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccc(C)c1 2334148 CQVATBDXYBUBCT-UHFFFAOYSA-N 379.485 4.423 30 50 GIEA COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1 3356971 FMVMTOZXHCPPAZ-UHFFFAOYSA-N 380.835 4.378 30 50 GIEA C=CCn1c(SCc2ccc(C(=O)OCC)cc2)nnc1-c1ccccc1O 5060374 BGDUEBPJLVPAGW-UHFFFAOYSA-N 395.484 4.306 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc2ccccc12 6786244 MITJNOJDODLYBS-OAQYLSRUSA-N 387.435 4.065 30 50 GIEA N#Cc1ccc(SCC(=O)Nc2c(F)cc(Br)cc2F)cc1 175252829 LMWLWVIPKQIROB-UHFFFAOYSA-N 383.217 4.330 30 50 GIEA C#CCCC1(CCC(=O)N2CCC[C@H]2c2c(OC)n(C)c3ccccc23)N=N1 1875381622 BHRRGHMCKTXYFE-SFHVURJKSA-N 378.476 4.206 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccnc1 2263873 ICOZVPBCUGRYPS-UHFFFAOYSA-N 393.516 4.380 30 50 GIEA Cc1ccc2[nH]c3nc(N/N=C/c4ccc(Br)cc4)nnc3c2c1 4611303 CYLLHCVERKGLGF-DJKKODMXSA-N 381.237 4.023 30 50 GIEA O=C(O)c1cc(NCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1O 43170560 HABROHXUHNHQMY-UHFFFAOYSA-N 383.219 4.278 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccncc3)CC(=O)O4)C2=O)cc1 217657670 CYPBXOZNIAAXCL-HRVJUDJTSA-N 399.402 4.147 30 50 GIEA biogenic CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 677281 TZRKAOXTUDSBRI-NRFANRHFSA-N 381.472 4.236 30 50 GIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 6819566 CUQAOGZOLKHPLO-UYAOXDASSA-N 375.468 4.262 30 50 GIEA CC1(C)OB(c2cc(OCc3ccccc3)c([N+](=O)[O-])cc2Cl)OC1(C)C 170003721 CHZFIFZCKJODSC-UHFFFAOYSA-N 389.644 4.126 30 50 GIEA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccs2)C2=C(CCCC2=O)N1 690040 OUSUFQYKJFBGFT-FQEVSTJZSA-N 382.460 4.494 30 50 GIEA Cc1ccc(-c2nnc(S)n2/N=C/c2ccc(Br)s2)cc1 6054252 HHLBYLYBPRTJMY-LZYBPNLTSA-N 379.308 4.248 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 6819707 UENDKUZODGGNTQ-MAUKXSAKSA-N 381.859 4.353 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccncc1 19761115 UIMHKPLZMQTIFC-GCJKJVERSA-N 388.467 4.006 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 25761649 NTBMEFMRYPMEOP-HXUWFJFHSA-N 393.874 4.342 30 50 GIEA COc1ccc(-c2cs/c(=N\N=C\c3ccc(Br)cc3)[nH]2)cc1 35653458 JOQDASZTRHFZAI-VXLYETTFSA-N 388.290 4.449 30 50 GIEA C[C@@H](N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 105258584 VQRLBWJYBZGWPM-QRKMNUTDSA-N 382.529 4.236 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1c(OC)cccc1OC 328597035 CRNJMZDKUJREBA-LAUBAEHRSA-N 398.430 4.162 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 5704409 CVHXFTJUSAWTBD-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA C=C(Cl)Cn1c(=O)c(CN2CCC[C@@H](C)C2)cc2cc(OC)c(OC)cc21 12100309 ATAWGMXIVINNTN-CQSZACIVSA-N 390.911 4.003 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc([N+](=O)[O-])o1 100415305 JZXCNYCCKBMIIO-GOSISDBHSA-N 390.395 4.125 30 50 GIEA Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 1857525243 IMHWUDTYEQIITA-NORSYNDKSA-N 380.532 4.306 30 50 GIEA C/C(=N\Nc1ncnc2c1oc1ccccc12)c1ccc2c(c1)C(C)(C)C(=O)N2 1875261375 MBVPRBNHWUPAOE-RPPGKUMJSA-N 385.427 4.442 30 50 GIEA N#Cc1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n2c1sc1ccccc12 1078043 ZLHKJNZBHYRDLZ-UHFFFAOYSA-N 379.828 4.292 30 50 GIEA Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C=C[C@H]2c2c(F)c(F)c(F)c(F)c23)cc1 244874371 XADLBHBVCZGJIZ-RAIGVLPGSA-N 398.377 4.466 30 50 GIEA O/C(=N\CCOc1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 2848762 XGBFXJNSGFPCNK-UHFFFAOYSA-N 383.394 4.236 30 50 GIEA O=C(C#Cc1ccccc1)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4698398 XOTAONXGHFCHDG-UHFFFAOYSA-N 398.506 4.375 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccco1 4868970 NKTRUZZBHUBNJS-UHFFFAOYSA-N 386.502 4.177 30 50 GIEA O=C1CS/C(=N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)N1 5636551 FHPOJRJDUCEYPJ-DNTJNYDQSA-N 394.283 4.125 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c(O)c1 5643990 IMTXGVUKDBUVSV-CIAFOILYSA-N 385.468 4.181 30 50 GIEA O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1 15723775 KIZZFQSXCFUKOP-UKWGHVSLSA-N 386.751 4.047 30 50 GIEA C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccc2c(c1)OCO2 19848787 HWBZNJGHTCPJCL-NLRVBDNBSA-N 399.494 4.156 30 50 GIEA N#Cc1ccccc1CSc1nnc(NC(=O)CCc2ccccc2)s1 2836831 LWPHAQJXGSNLDE-UHFFFAOYSA-N 380.498 4.273 30 50 GIEA C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 12595352 TXBPZBDGZYVVPS-LJQANCHMSA-N 389.455 4.391 30 50 GIEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 17950269 DRTQUSQIZSLRCG-FQEVSTJZSA-N 379.485 4.058 30 50 GIEA N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 101817373 JXXIPFXSLCWZLE-YPAWHYETSA-N 383.426 4.206 30 50 GIEA Cc1ccccc1C(=O)NC1CCN(c2cccc(Br)c2C#N)CC1 225492361 FFOHJLDXAXMAIW-UHFFFAOYSA-N 398.304 4.028 30 50 GIEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)C1 239164997 NHOLDGJSIDSXOK-YOCBEXAOSA-N 398.528 4.232 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccn1 2368552 AMDPCEYNBWUJRF-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA Cc1ccc(COc2ccc(/C=N/NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4302936 PBHMUNIUQFVLSJ-HZHRSRAPSA-N 394.496 4.195 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)cc1 6819667 MTHQRDOXHLYNJH-WMLDXEAASA-N 381.859 4.353 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 5727966 VUJHIILLQSTQFJ-IBGZPJMESA-N 393.512 4.386 30 50 GIEA C=CCn1ncc(-c2c(-c3ccccc3)ncn2[C@H](c2ncnn2C)C2CC2)c1C 65375687 XCKCBDRZDHMXLC-NRFANRHFSA-N 399.502 4.036 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1C 170615364 JAXOTGWJBUNELR-JTHBVZDNSA-N 394.467 4.332 30 50 GIEA CCCCCCCCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C 2022892 ZPYDXLSKIUPCMR-RAXLEYEMSA-N 398.960 4.019 30 50 GIEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 2581579 GNZNESXOPRDXRH-IBGZPJMESA-N 382.460 4.494 30 50 GIEA O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1cccc([N+](=O)[O-])c1 5738552 NCZABQBDLFJLSG-UHFFFAOYSA-N 396.426 4.494 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)ccc1OC 170615398 WBLWRBGDHUJOGL-NFBKMPQASA-N 394.467 4.332 30 50 GIEA CNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(CCCCC2CCCC2)C1=O 1875264687 ZFFGNOCJLGKRAN-QCLNCQLRSA-N 387.549 4.115 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cc2)N=N1 1875368618 GFHZYBWFCWIDDD-UHFFFAOYSA-N 389.381 4.400 30 50 GIEA C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 1058061 SJVJQKJJTPCMCJ-UHFFFAOYSA-N 398.557 4.464 30 50 GIEA COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2/C(C)=C/C(C)=O)cc1 4811399 BAYOSZTXLRQJFP-QGFLDLQWSA-N 379.416 4.247 30 50 GIEA C=CC[C@]1(C(=O)N(C)Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C 225623505 ZSPSGCZYVLISST-HXUWFJFHSA-N 393.915 4.039 30 50 GIEA COc1cc(/C=C2\Oc3cc(C)c(Cl)c(C)c3C2=O)cc([N+](=O)[O-])c1O 299738152 CEXMXPXWJKETGR-AUWJEWJLSA-N 375.764 4.195 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccs1 718732 KBCMVDJECURDCQ-UHFFFAOYSA-N 388.493 4.371 30 50 GIEA N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccc2c(c1)OCO2 934593 ZWKRLEALOJBDAX-UHFFFAOYSA-N 383.791 4.119 30 50 GIEA O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccc(Br)cc1 5714019 FGCRHXHFPQOLPF-UHFFFAOYSA-N 388.672 4.335 30 50 GIEA C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccc(C)cc1 13633694 QPSMFSCDQUSEKU-QFEZKATASA-N 391.500 4.467 30 50 GIEA N#Cc1c2c(c(N3CCN(C4CCCCC4)CC3)n3c1nc1ccccc13)CCC2 787976 XTFUOJCYBWMPRW-UHFFFAOYSA-N 399.542 4.303 30 50 GIEA C=CCC1(CC=C)CCCCN1C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 14971578 ZLARTTJLMRDTBD-UHFFFAOYSA-N 384.911 4.497 30 50 GIEA C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 19833141 AIDRRAIBFGTOQK-OQKWZONESA-N 386.337 4.299 30 50 GIEA N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4ccnc4)CC3)cc2)cc1 111740216 SHEGWTNUQDHFEU-UHFFFAOYSA-N 387.443 4.416 30 50 GIEA Cn1cc(/C=C2\C[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)[C@H](O)CC[C@H]43)CC2=O)cn1 253505396 MEBTWHFCEXALJM-SMGUIHNDSA-N 382.548 4.386 30 50 GIEA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 455916768 IYZQYSYGGZZAIA-MRXNPFEDSA-N 382.895 4.317 30 50 GIEA N#Cc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 671254 ZLMQIRIUISPATK-UHFFFAOYSA-N 381.229 4.491 30 50 GIEA C#Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 11843736 AAQMCUKSSFKMQZ-SFHVURJKSA-N 385.385 4.422 30 50 GIEA C[C@H](/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1)c1ccccn1 328607307 VJMZENALIMNPJM-VHFSOBRXSA-N 380.423 4.202 30 50 GIEA CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 1178142 ZXEASXKILYTGBC-FQEVSTJZSA-N 382.460 4.494 30 50 GIEA CCc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)[nH]c(=O)c1C#N 5238951 PWMBWECAMRHFBI-UHFFFAOYSA-N 398.532 4.182 30 50 GIEA C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1cccc(C)c1 14968952 GPCXBVAULWLRIR-UHFFFAOYSA-N 392.528 4.303 30 50 GIEA NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 43443458 HZCZXRSVKNFILZ-UHFFFAOYSA-N 399.097 4.319 30 50 GIEA Cc1c(C#N)c(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)nc2ccccc12 1857679052 VWYSBCQMPJREKY-UHFFFAOYSA-N 398.510 4.290 30 50 GIEA C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1cccs1 4477099 BSGHJOVXRULGGJ-SSDVNMTOSA-N 383.502 4.220 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O 5068595 IMCNQOOIKHPWBS-UHFFFAOYSA-N 399.299 4.198 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@@H](OC(C)=O)[C@]1(C)CC3=O 257350045 UHDRFSPZQJHGCE-LHRLTIKZSA-N 388.504 4.136 30 50 GIEA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#CC(C)(C)O)cc1 1506412989 GLQLWYMXDCSWGM-UHFFFAOYSA-N 375.390 4.100 30 50 GIEA O=C(c1cc([C@@H]2CC2(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)F)C1 1875310056 BDTMHWRQWMFCFA-SWLSCSKDSA-N 399.306 4.060 30 50 GIEA CSc1ccc(C)c(-c2nc([C@H]3CCN(C)C3)nn2-c2cccc(C#N)c2)c1 1875335842 JCNRRHFIZLUYDF-KRWDZBQOSA-N 389.528 4.255 30 50 GIEA C=CCOc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 2381887 TZTHMMYDPNOUBY-DTQAZKPQSA-N 391.514 4.098 30 50 GIEA O=C(C[C@@H]1S/C(=N\N=C\C=C\c2ccccc2)N=C1O)Nc1ccccc1F 5101787 MZGKBRRYWITUBJ-SJJQLXSRSA-N 396.447 4.281 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccc(C)c1 225506398 DJNVJPXIMDCSLQ-NFBKMPQASA-N 394.467 4.332 30 50 GIEA C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 709450 WAVZNOPBSZZNRK-DEOSSOPVSA-N 381.435 4.145 30 50 GIEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 4786594 GTCTWVQERHMMOL-VBKZILBWSA-N 394.837 4.486 30 50 GIEA CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 8426369 FWKVKDCFXJRUGJ-UHFFFAOYSA-N 394.585 4.456 30 50 GIEA C=CCN(CC=C)C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12476101 FVBSLCAZFINUHR-UHFFFAOYSA-N 398.547 4.295 30 50 GIEA OCC1(Cc2ccccc2C(F)(F)F)CCN(CC#Cc2ccccc2)CC1 12711546 JWGCYRUHYKMBIS-UHFFFAOYSA-N 387.445 4.374 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 19808846 ANPYGTNREFYFPG-FQEVSTJZSA-N 387.426 4.419 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 1187494 KMBRXIOEAKFHLA-OPAMFIHVSA-N 377.440 4.123 30 50 GIEA CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1B1OC(C)(C)C(C)(C)O1 219375524 NGBRMEPTBBKNRU-UHFFFAOYSA-N 396.384 4.378 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccccc1 13161938 HZLNUPFVACAETK-LJQANCHMSA-N 377.371 4.197 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1csc(C)c1 17079350 DNWFZPUHHDKWML-UHFFFAOYSA-N 388.493 4.371 30 50 GIEA CC1(C(=O)NC[C@H]2CCCC2(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 452808712 CMTQYEHZSWKNDI-OAHLLOKOSA-N 395.881 4.370 30 50 GIEA COc1cccc(NC(=O)CCC2CCN(Cc3cccc(C#N)c3)CC2)c1 95520730 FTYPKRBOODTCQE-UHFFFAOYSA-N 377.488 4.198 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OCC 170618238 AQUFDPXLXONMLA-AUSIDOKSSA-N 394.467 4.413 30 50 GIEA CN1CCC[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1cccs1 375860705 JNDOUDOHFLMBQQ-OXJNMPFZSA-N 399.535 4.236 30 50 GIEA CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1OC 726668 ZUGLRQJHYHGHAP-OAQYLSRUSA-N 399.487 4.013 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1cccc(F)c1 253430025 VIULFGUCPJRUQF-SIKLNZKXSA-N 398.430 4.162 30 50 GIEA O/C(=N/CC1(c2ccc3c(c2)OCO3)CCCCC1)c1snc(O)c1Cl 328774645 KIZOIYVHYHIBSR-UHFFFAOYSA-N 394.880 4.438 30 50 GIEA N#Cc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 916977 QVDBAZSMFIPLAN-OAHLLOKOSA-N 391.374 4.019 30 50 GIEA C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)SC1=S 1206798 NCPQEZPRJMEOEC-GZTJUZNOSA-N 399.497 4.390 30 50 GIEA C=C(C)COc1cc2c(C(=O)OCCOC)c(C)oc2cc1Br 1823264 KULQYOMHHFQPGW-UHFFFAOYSA-N 383.238 4.262 30 50 GIEA biogenic Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)o1 6309460 NJOIJZDSTWBZTM-IBGZPJMESA-N 395.386 4.407 30 50 GIEA C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 2992079 MGONLYRRLCKDDT-LDADJPATSA-N 396.424 4.396 30 50 GIEA CCOC(NC(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3183409 BBLGDDUYSJROHV-UHFFFAOYSA-N 382.663 4.458 30 50 GIEA O=S(=O)(/N=C(\Nc1ccccn1)c1ccc(F)cc1)c1ccc(Cl)cc1 4587607 WCYFUKFLROEHHB-UHFFFAOYSA-N 389.839 4.122 30 50 GIEA Clc1ccccc1CN1CCN(/N=C/c2ccc(Br)s2)CC1 19835485 JCUMWNRTXGLVBA-YBFXNURJSA-N 398.757 4.316 30 50 GIEA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 952977582 QSIYVPHJJSYPKK-KRWDZBQOSA-N 387.483 4.032 30 50 GIEA CC(C)(C)OC(=O)N1CCC(C#N)(Nc2ccc(F)cc2Br)CC1 953067025 KEEIHQRDQLYCQN-UHFFFAOYSA-N 398.276 4.293 30 50 GIEA CN(CCc1noc(-c2ccc(F)cc2)n1)c1oc(-c2ccccc2)nc1C#N 1857799555 KGJYHKLOAQKJRS-UHFFFAOYSA-N 389.390 4.081 30 50 GIEA CCc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 2837309 AQZSUOKFVOQSED-NRFANRHFSA-N 385.419 4.476 30 50 GIEA CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 9483154 ADCMEUSBLCUWQA-HSZRJFAPSA-N 389.499 4.049 30 50 GIEA Cc1ccc(CN2CCC(CN(C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)o1 12718895 FCUSYRUCYOSIFU-UHFFFAOYSA-N 394.559 4.054 30 50 GIEA N#Cc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 157605225 BOKJXHPRQWPNFI-UHFFFAOYSA-N 379.463 4.086 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl 17837856 CHCNZKBGTSMEGO-INIZCTEOSA-N 384.844 4.439 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 637357 WGZLEZZPENIEJC-HXUWFJFHSA-N 388.423 4.070 30 50 GIEA CCOC(=O)c1sc(NC2CC2)nc1CSc1nc(C)cc(C)c1C#N 20606410 OOTVQBXHPZHKKF-UHFFFAOYSA-N 388.518 4.070 30 50 GIEA CC(O)=Nc1ccc(NC(=O)[C@H](Cc2cnc[nH]2)/N=C(/O)C2CCCCC2)cc1 328590030 XEDKIZZNIFNXGM-IBGZPJMESA-N 397.479 4.104 30 50 GIEA Cc1nc([C@@H]2CCCOC2)sc1/C(O)=N/[C@@H](c1nc(C2CC2)no1)C(C)C 328779358 DYWRRSOVDDFGHQ-ZIAGYGMSSA-N 390.509 4.308 30 50 GIEA Cc1ccc2nsnc2c1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 426526313 WIENPNDXLUQBSY-UHFFFAOYSA-N 377.473 4.089 30 50 GIEA CCOC(=O)CCCC[C@@H]1CCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104276702 RVNZRRRSHCXQSL-YSYRGXBVSA-N 392.412 4.195 30 50 GIEA CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)c(Cl)c2)OC1(C)C 169904905 CMDYAOGUWSICTP-UHFFFAOYSA-N 387.672 4.388 30 50 GIEA in-vitro CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 2055479 VEXBOZGMPIUJQC-NRFANRHFSA-N 399.487 4.102 30 50 GIEA CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 5576563 XZCQYKBBDSKSFE-SRZZPIQSSA-N 386.452 4.112 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(Br)c1 6166209 XULRCEKECOVEIW-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 19884419 JAPUFXWPQOLQJE-LJQANCHMSA-N 398.528 4.011 30 50 GIEA Cc1ccc(CN(Cc2ccncc2)C(=O)c2ccc(C#CC(C)(C)O)o2)s1 952984045 YSKNMQUKWFZXTJ-UHFFFAOYSA-N 394.496 4.010 30 50 GIEA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(F)cc1 650591 BBVNTYALZZJIPK-OAQYLSRUSA-N 394.402 4.369 30 50 GIEA COc1ccc(N2CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)cc1 710697 ONYPWCUXLVTNNU-UHFFFAOYSA-N 396.490 4.057 30 50 GIEA biogenic C=CCSc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 96026749 IWAZQMYYIJLBAM-UHFFFAOYSA-N 398.572 4.347 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 138751219 QANGUEGDIZBQNM-WSAILGMDSA-N 385.531 4.105 30 50 GIEA N#CCCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 225518411 ZKOORKBOGWUENK-UHFFFAOYSA-N 390.462 4.047 30 50 GIEA C[C@H](Cc1ccccc1Br)/N=C(/O)C[C@@H](O)Cc1ccccc1 328596525 ZYDJPUGCZCLUBV-PBHICJAKSA-N 376.294 4.330 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)N=N1 2325891998 WIGRKVCZPYOUKU-UHFFFAOYSA-N 394.454 4.105 30 50 GIEA O=[N+]([O-])c1c(F)c(F)c(F)c(-c2c(F)c(F)c(F)c([N+](=O)[O-])c2F)c1F 2168430 QYOXEMHVENMHHE-UHFFFAOYSA-N 388.126 4.283 30 50 GIEA COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2Br)cc1 4981881 ZUTFIJGDYNTIQS-CMDGGOBGSA-N 377.194 4.174 30 50 GIEA COc1cc(/C=C2\Oc3c(Cl)ccc(Cl)c3C2=O)cc([N+](=O)[O-])c1O 299738305 SQIQHUUJSYLDLZ-SDQBBNPISA-N 382.155 4.232 30 50 GIEA CC1(C)OB([C@@]23CCN(C(=O)c4ccc(OC5CCC5)cc4)C[C@H]2C3)OC1(C)C 1875368645 HSURYMJXZQMLKZ-UZUQRXQVSA-N 397.324 4.316 30 50 GIEA N#CC1CC2(C1)CC(C(=O)N1CCC(c3ccccc3Br)CC1)C2 2325748489 CQJNQZKCNWDFND-UHFFFAOYSA-N 387.321 4.485 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1c(OC)cccc1OC 328597037 CRNJMZDKUJREBA-UWJYYQICSA-N 398.430 4.162 30 50 GIEA C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 1074310 KPTQQKWXDNPYEI-UHFFFAOYSA-N 395.484 4.027 30 50 GIEA Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)c1C 4685114 CZAHKSWNUQVQQQ-UHFFFAOYSA-N 381.259 4.047 30 50 GIEA Cc1cccc(NC(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1 19805221 CNQUSDDKRKROSE-UHFFFAOYSA-N 399.479 4.113 30 50 GIEA C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(O)cc1 100844439 QQADXGXBJONJFG-QLJNEMMGSA-N 381.413 4.090 30 50 GIEA C=CCOc1cccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1 12196231 AFEKHZAZRMWXRN-HXUWFJFHSA-N 382.479 4.127 30 50 GIEA N#Cc1c(N)nc2c(c1-c1ccc(COc3ccccc3[N+](=O)[O-])o1)CCCC2 20601955 ZMFQCBJJTCEUNU-UHFFFAOYSA-N 390.399 4.161 30 50 GIEA C=CCOc1c(Cl)cc(CNCc2noc(-c3ccco3)n2)cc1Cl 55413621 DKJZPMTZJSYFFK-UHFFFAOYSA-N 380.231 4.491 30 50 GIEA CCCCCCCOC(=O)Cn1c(=O)sc2cc(Br)ccc21 100700364 JDBSSNKOOUFVPC-UHFFFAOYSA-N 386.311 4.339 30 50 GIEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1154763 NTVWKXIFLUEAAW-RPPGKUMJSA-N 389.434 4.286 30 50 GIEA CC(C)C(=O)N1c2ncccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 9482795 LNDLRKUKCKCTRB-FQEVSTJZSA-N 390.487 4.276 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)s1 12300574 OZBALQSJVXLCHA-INIZCTEOSA-N 390.499 4.225 30 50 GIEA Cc1c(C(=O)/C=C/c2cc(Br)c(O)cc2F)c(C#N)c2n1CCC2 2325862674 COAQZQMOAWDELI-SNAWJCMRSA-N 389.224 4.118 30 50 GIEA N#Cc1nc(-c2cccc3ccccc23)oc1S(=O)(=O)Cc1ccc(F)cc1 170623864 JEHVAUOHJYMKHI-UHFFFAOYSA-N 392.411 4.479 30 50 GIEA C[C@](/N=C(/O)C[C@H](O)Cc1ccccc1)(C(=N)O)c1cccc(C(F)(F)F)c1 328596507 XIIDQAHXMGRNRU-VQIMIIECSA-N 394.393 4.406 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1c(OC)cccc1OC 328599960 UZEKSPBKBCTXNU-IFXJQAMLSA-N 386.469 4.085 30 50 GIEA C#CCOc1cc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)ccc1OC 952959908 FLJLOCPCXISHHG-HXUWFJFHSA-N 393.483 4.040 30 50 GIEA CCNC(=S)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 2531255 BQBNMDITJGNLAN-ZVHZXABRSA-N 391.496 4.185 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 5094915 YZCQYKMDZMEFHQ-OAQYLSRUSA-N 395.499 4.482 30 50 GIEA O=C(C[C@@H](c1ccccc1)C1([N+](=O)[O-])C(=O)c2ccccc2C1=O)c1ccccc1 2463097 OCPVLXZZXNCLRR-FQEVSTJZSA-N 399.402 4.138 30 50 GIEA biogenic CCc1ccc(-n2c(C)cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 4739156 MTKMIMBZYZORIX-HZHRSRAPSA-N 395.528 4.277 30 50 GIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cn(CCc2ccccc2)nn1 12058607 MKNWUSQNKFSRBH-SFTDATJTSA-N 376.504 4.202 30 50 GIEA C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 128529642 DDUNKDSIPHRRFV-CQSZACIVSA-N 385.464 4.182 30 50 GIEA CCOc1ccc(CC(=C2C(=O)CC(C)(C)CC2=O)N2CCCC2)cc1OCC 1423596 GDBIELYSGMWDFA-UHFFFAOYSA-N 399.531 4.335 30 50 GIEA Cc1ccc(CN2CCN(N=Cc3ccc(Br)s3)CC2)c(C)c1 2705087 RUMOQAVYOVHGJS-UHFFFAOYSA-N 392.366 4.279 30 50 GIEA O=C(O/N=C/c1ccc(Br)cc1)c1ccccc1Br 2913549 FDNROBLMBHCMPX-RQZCQDPDSA-N 383.039 4.403 30 50 GIEA CCCCC(=N\O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 5501792 KGCYOZVMIIBKEW-OUONPEQCSA-N 387.505 4.006 30 50 GIEA C=CCn1c(SCc2cc(C=O)ccc2OC)nnc1-c1cccc(OC)c1 124227490 ASFNEGYCIJKGFR-UHFFFAOYSA-N 395.484 4.253 30 50 GIEA Cc1ccc(-c2cnc(N=C(O)N3CCN(c4ccccn4)CC3)s2)c(C)c1 328595723 CLLOPLMDHKNNIG-UHFFFAOYSA-N 393.516 4.190 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 1166154 WAJGSSZJCWDMNT-DEDYPNTBSA-N 393.464 4.252 30 50 GIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)n1 6813377 FUDBLPJQNFDYPI-SFHVURJKSA-N 394.427 4.374 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4csc(-c5ccccn5)n4)C[C@H]2C3)OC1(C)C 1776003204 YBBQZMHLXSFSPP-VFNWGFHPSA-N 397.353 4.263 30 50 GIEA COC1(C#N)CC(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 1875299663 RENCIXNPYHZGSN-UHFFFAOYSA-N 394.349 4.031 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 4755111 AOMXKQMIESVQEH-IBGZPJMESA-N 391.500 4.386 30 50 GIEA N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)sc2c1CCCC2 4811044 OJHVNCIZIIAQLQ-LBPRGKRZSA-N 399.903 4.144 30 50 GIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1 5763674 NJURNQLYPSAAKH-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)c2)cc1 153716979 FJVBLSXQAUHNRD-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cc(OC)cc(OC)c1 253432925 PXEBHSBOBDOISD-GMAHTHKFSA-N 394.467 4.332 30 50 GIEA Cc1ccsc1/C=N/n1c(S)nnc1-c1ccccc1Br 6056389 AODJCGWXHYOQCW-LZYBPNLTSA-N 379.308 4.248 30 50 GIEA COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 6819474 YSZDTRPWHZUCRA-CJNGLKHVSA-N 381.859 4.353 30 50 GIEA C#Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)c1 11937679 JPFZMAIBGKYRAI-XMMPIXPASA-N 377.447 4.332 30 50 GIEA CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 248291127 SZWSCHASVIKEHC-BSDSXHPESA-N 394.519 4.309 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccccc1 9363685 JPKLBERGUZDEHT-KWJZBXMYSA-N 375.453 4.111 30 50 GIEA COc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 4975441 DIMDHMNILJZXGX-UHFFFAOYSA-N 377.400 4.477 30 50 GIEA biogenic CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 9363629 DJYNMGKJJTVXON-FQEVSTJZSA-N 395.455 4.082 30 50 GIEA C[C@H](C#N)NC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc3c(c1)OCO3)CC2 1857532634 WOANPQGFUVMQGF-CQSZACIVSA-N 397.434 4.092 30 50 GIEA C#CCN(C)C(=O)N(C)c1ccc(-c2nc3ccc(OCC)cc3s2)cc1 2325899608 NRPUEBBOBWINKP-UHFFFAOYSA-N 379.485 4.483 30 50 GIEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 2055480 VEXBOZGMPIUJQC-OAQYLSRUSA-N 399.487 4.102 30 50 GIEA C=CCSc1nnc([C@H]2CCCN(Cc3c(F)cccc3Cl)C2)n1C 20149438 DKFMVZBAWQICFH-ZDUSSCGKSA-N 380.920 4.265 30 50 GIEA Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](CNc2ccc(C#N)nc2)C1 1875338831 NIHVQBZZFJQCNO-OALUTQOASA-N 376.504 4.106 30 50 GIEA CC(C)Oc1ccccc1CC(=O)N1CC[C@]2(B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 1875368819 RKAUHCYEQSKHQW-JPYJTQIMSA-N 399.340 4.101 30 50 GIEA COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c(OC)c1 804128 WKAFLOCXMUXYIN-UHFFFAOYSA-N 379.363 4.453 30 50 GIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 4915450 IOHJMDAHANSTHT-APWZRJJASA-N 379.431 4.229 30 50 GIEA O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 14968232 ULBPQWIGZUGPHU-UHFFFAOYSA-N 392.221 4.478 30 50 GIEA in-vivo COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(OC(C)C)cc1 217883792 NIVWQTUPEDHCJD-SFHVURJKSA-N 394.423 4.012 30 50 GIEA biogenic CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccc(C)c1 225506468 DJNVJPXIMDCSLQ-NZQKXSOJSA-N 394.467 4.332 30 50 GIEA Cn1cc(/C=C2\C[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)[C@@H](O)CC[C@H]43)CC2=O)cn1 253505406 MEBTWHFCEXALJM-YEVZPTBWSA-N 382.548 4.386 30 50 GIEA Cc1c(Cc2ccccc2)c(N2CCN(C)CC2)n2c(nc3ccccc32)c1C#N 633135 KGXDQCATEKXJIH-UHFFFAOYSA-N 395.510 4.010 30 50 GIEA O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C1\C(=O)Nc2ccccc21 16777152 MXCVSJFJFBAEKN-OWBHPGMISA-N 390.251 4.207 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1OC 170618121 GIQCVMVVYQZDKU-AVRDEDQJSA-N 380.440 4.023 30 50 GIEA COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2cccnc2)CC(=O)O3)C1=O 263585107 FEIHRQSTXZRGQD-LELXDKESSA-N 399.402 4.147 30 50 GIEA biogenic Cc1c([C@H]2OCC[C@@H]2C(O)=Nc2nc3ccc(Cl)cc3s2)cnn1C 328609990 GJLXWCXMLABCFB-NHYWBVRUSA-N 376.869 4.357 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(C)c1 623415 PCOMWVMTKLTCSJ-HXUWFJFHSA-N 383.488 4.171 30 50 GIEA CCOc1cc(C#N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2874828 NFUIHWHHSTUMQX-UHFFFAOYSA-N 377.194 4.207 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@@H]1Cc1cccc(Cl)c1 12843721 HHKKZZFMGBMEIT-IXJMWADBSA-N 378.284 4.158 30 50 GIEA C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)C(=O)C[C@@H]12 96054715 CFUPNMDNSQIWBB-UUVDBSHOSA-N 390.520 4.260 30 50 GIEA biogenic COc1ccc(C2CC(=O)C(=CNc3cc(C)cc(C)c3)C(=O)C2)cc1OC 100669771 DJAQECMJUAXVOK-UHFFFAOYSA-N 379.456 4.332 30 50 GIEA O=C(OCC(F)(F)[C@H](F)C(F)(F)F)OCC(F)(F)[C@H](F)C(F)(F)F 118591655 YMKWZRZOSKKSFP-IMJSIDKUSA-N 390.120 4.211 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1c(OC)cccc1OC 328599961 UZEKSPBKBCTXNU-KUHUBIRLSA-N 386.469 4.085 30 50 GIEA Cn1cc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 1857525385 CSBUEGHWYWGGEI-SFBNZHIRSA-N 380.532 4.306 30 50 GIEA O=C(NCCC(O)(C(F)(F)F)C(F)(F)F)c1cc2c(F)cccc2s1 1857528198 FACNSZHAPDNLJK-UHFFFAOYSA-N 389.292 4.016 30 50 GIEA C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 784415 QNBTWXBMRDIGSR-UHFFFAOYSA-N 396.472 4.498 30 50 GIEA C=CCn1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cn1 67852311 VWIWQKROHCNNOC-UHFFFAOYSA-N 395.890 4.490 30 50 GIEA N#Cc1ccccc1CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1 1062920 NOQMIQYVHBXFTI-UHFFFAOYSA-N 394.548 4.016 30 50 GIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 4915464 IOHJMDAHANSTHT-LPHOPBHVSA-N 379.431 4.229 30 50 GIEA CN(CCCn1ccnc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 124438847 CKJMNRCOFZQSDS-UHFFFAOYSA-N 375.432 4.101 30 50 GIEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccc2c(c1)c1c(n2CC)C(=O)CCC1 670451405 JTMYBLGVBVNGCE-INIZCTEOSA-N 394.515 4.182 30 50 GIEA C=CCN1C(=O)c2[nH]nc(-c3cc(C)c(C)cc3O)c2[C@@H]1c1ccccc1F 4809745 AXPJUZKDSXDZEO-NRFANRHFSA-N 377.419 4.269 30 50 GIEA N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 12524213 JXXIPFXSLCWZLE-BDTNDASRSA-N 383.426 4.206 30 50 GIEA CN1CCC[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1cccs1 375860706 JNDOUDOHFLMBQQ-OXQOHEQNSA-N 399.535 4.236 30 50 GIEA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(CC2(C#N)CC2)n1 1875286077 LONUCZXELUDBSN-VIFPVBQESA-N 382.645 4.472 30 50 GIEA CCc1c(C)sc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1C#N 814891 DERQFVRMYBNLHC-HNNXBMFYSA-N 391.855 4.415 30 50 GIEA N#CCCN(C(=O)CCC(=O)N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 863640356 OPEXTOGXFSPSBI-FQEVSTJZSA-N 395.890 4.171 30 50 GIEA C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccc2c(c1)OCO2 32614591 HWBZNJGHTCPJCL-ITYLOYPMSA-N 399.494 4.156 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 275647677 KLTZMZISEPVSOL-OAQYLSRUSA-N 379.529 4.023 30 50 GIEA CCN(CC)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 804042 ILECOIDDBKYPMO-UHFFFAOYSA-N 383.395 4.193 30 50 GIEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4914542 JLWOTHVNHCFGHM-APWZRJJASA-N 379.431 4.229 30 50 GIEA C=CCNc1ncnc2sc(C(=O)NCCc3ccc(Cl)cc3)c(C)c12 11868580 GXCMYTNCZSOVSP-UHFFFAOYSA-N 386.908 4.224 30 50 GIEA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 12437505 WANLQXQWCAYCOO-NRFANRHFSA-N 395.930 4.477 30 50 GIEA CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NCCC3(O)CCCC3)cc2)n1 584899829 GZPLRDIPIRFRKL-UHFFFAOYSA-N 377.488 4.169 30 50 GIEA COc1cc(C(=O)/C=C/c2ccc3cc(OC)c(OC)cc3c2)c(OC)cc1O 2325872095 HPFMTQCNRZYYMN-SOFGYWHQSA-N 394.423 4.476 30 50 GIEA CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccncc2)C1=O 4663073 LGZVWKXWJPNOOZ-PTNGSMBKSA-N 386.860 4.279 30 50 GIEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 17921377 CBPHZHOUXJCTTH-FQEVSTJZSA-N 379.485 4.058 30 50 GIEA C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccc([N+](=O)[O-])cc1 1142233 IYPFJLLXNNACOP-UHFFFAOYSA-N 377.429 4.203 30 50 GIEA COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)c1ccccc1SC 5090934 SLUUYSIBFVQPJA-HKWRFOASSA-N 386.429 4.223 30 50 GIEA CCCCCOc1ccc(-c2n[nH]c(=O)cc2N/N=C/c2cccc(O)c2)cc1 5313949 CASWJPJAFJKYQO-HZHRSRAPSA-N 392.459 4.158 30 50 GIEA CCc1ncc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccc(C)c(C)c3n2)cn1 63832506 MSURJBFBTXZCBP-UHFFFAOYSA-N 399.498 4.247 30 50 GIEA C=CCOc1ccc(/C=C2\SC(=N)N(c3nccs3)C2=O)cc1OCC 4199053 KSHRIDQQVWXTAS-GGVUVTIUSA-N 387.486 4.162 30 50 GIEA CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@@H]2c1cccnc1 18249489 FFJPIRYWLDGSOO-GOSISDBHSA-N 386.455 4.174 30 50 GIEA Clc1ccccc1CN1CCN(/N=C/c2ccc(Br)cc2)CC1 19790564 HPMTZLYMZFAYAE-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(O)cc2)C(=O)C1 100007261 UUYLMKHBSNLPBD-LJQANCHMSA-N 384.472 4.251 30 50 GIEA O=C1/C(=C\NCCc2ccccc2)Nc2ccc(Br)c(Cl)c21 100392297 SYPJVHBGGGZURQ-GXDHUFHOSA-N 377.669 4.384 30 50 GIEA CC(C)(C)OC(=O)N1CCC(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 201895078 CQDPPCJVLCWWIE-UHFFFAOYSA-N 387.329 4.100 30 50 GIEA N#Cc1ccc(NC(=O)[C@@H](F)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1857777920 UPCZGAOOYAWRNP-HXUWFJFHSA-N 389.386 4.266 30 50 GIEA N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCCC2 4229229 CEHZPXULSNRIGE-QWHCGFSZSA-N 378.881 4.061 30 50 GIEA C=CCN1C(=O)/C(=C/c2ccc(COc3ccc(C#N)cc3)o2)SC1=S 6295694 AIXXCOOBAZHBJS-YVLHZVERSA-N 382.466 4.117 30 50 GIEA O=[N+]([O-])c1cc(/C=N/n2c(S)nnc2-c2ccccc2Cl)ccc1Cl 17207931 IIRLHSUMQOFBAB-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c2C#N)C1 20606248 OUNLLZKXHUCYEX-NWDGAFQWSA-N 385.445 4.059 30 50 GIEA CCc1cc2c(CC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)csc2s1 1300398963 IXJNXYRRUWUVHJ-GOSISDBHSA-N 384.526 4.131 30 50 GIEA N#Cc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)c1 2356141187 XLDQMTIKAOBBBT-ROHNOIKCSA-N 399.538 4.116 30 50 GIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)n1 4312129 FFJSSICDUZZSCS-HXUWFJFHSA-N 388.398 4.312 30 50 GIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 6819771 ZSAYYKPKXZVFKW-PXNSSMCTSA-N 391.467 4.098 30 50 GIEA N#Cc1cccnc1N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 95526137 VZELDPATHMINRL-IBGZPJMESA-N 396.494 4.267 30 50 GIEA CCC(=O)Nc1cc(NC(=O)CC2=C(c3ccccc3)CCC2=O)ccc1C 952966939 XWNCTDXRVBVTAX-UHFFFAOYSA-N 376.456 4.489 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4ccc(OC(F)F)c(F)c4)C[C@H]2C3)OC1(C)C 1776003078 UKXWUJNAQWMSBE-VLIAUNLRSA-N 397.246 4.485 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 639176 LOGXGPQOJBJYHT-CQSZACIVSA-N 396.270 4.094 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(O)ccc3ccccc23)cc1 1478112 SRZVXUIGGSFIPX-CIAFOILYSA-N 376.441 4.357 30 50 GIEA C=CCOc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2Cl)OC1=O 2850030 JRSQIFIEPJIAPZ-YBEGLDIGSA-N 384.775 4.158 30 50 GIEA O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4085550 DVJYVUAKYRCLAW-XZOUCZQKSA-N 383.360 4.374 30 50 GIEA N#Cc1cc(C#N)c(SCc2nc(-c3c(F)cccc3F)cs2)nc1N 128005128 JWUXOSJXMUAXKA-UHFFFAOYSA-N 385.424 4.101 30 50 GIEA COc1cccc([C@H]2CCCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)c1 952988775 PHOSATPTPKMNRM-JOCHJYFZSA-N 377.484 4.185 30 50 GIEA COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 5595688 DXZRCSWCYVZROO-NRFANRHFSA-N 385.419 4.478 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccnc1 8471476 ZHUMLQRKFNXNFG-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA Cc1cc(Cl)ccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 1168906 INOOJRAAJYWQCZ-BHGWPJFGSA-N 379.851 4.156 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccs1 3619501 LOBLXWASDGVETP-UHFFFAOYSA-N 398.513 4.126 30 50 GIEA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 17081181 KHHUOSGSCCMGJA-CJNGLKHVSA-N 396.830 4.253 30 50 GIEA COc1cccc2c1OC[C@@H](C(O)=Nc1cc(Cl)cc(C(=N)O)c1OC)C2 328586776 MZSHJMXSEJIBAH-NSHDSACASA-N 390.823 4.080 30 50 GIEA Cc1cccc(CN2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)c1 20028627 SBMZWWZNIORPTG-CMDGGOBGSA-N 386.442 4.111 30 50 GIEA CCCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1 2351080 GUHIBNZAPZWUKQ-UHFFFAOYSA-N 395.528 4.296 30 50 GIEA COc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1OC 16995593 YIQYYOUDEHOOOT-CIAFOILYSA-N 398.488 4.294 30 50 GIEA CC1(C#N)CCN(C(=O)Nc2ccccc2OCCOc2ccccc2)CC1 97713595 HEAREJWIUDEUNM-UHFFFAOYSA-N 379.460 4.302 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 1196834 FXYVQEBSLLXIRR-LFVJCYFKSA-N 393.922 4.299 30 50 GIEA Fc1ccc(-c2nnc(S)n2/N=C/c2ccccc2Br)cc1 7712398 LTBCLESAOCPJEW-GIJQJNRQSA-N 377.242 4.018 30 50 GIEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1CCCN(Cc2cccs2)C1 827801566 VJTQNFQAUJDAAO-GOSISDBHSA-N 394.540 4.036 30 50 GIEA N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2 880792655 GFMCPOUBFSTUTJ-FUHWJXTLSA-N 392.484 4.034 30 50 GIEA CC(C)c1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nn1-c1ccccc1 121915906 XZYFNHYILPRZSO-UHFFFAOYSA-N 385.471 4.393 30 50 GIEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 4534883 VHYKSHVXILDWEP-XCVCLJGOSA-N 379.153 4.096 30 50 GIEA Fc1ccc(-c2nnc(S)n2/N=C/c2cccc(Br)c2)cc1 6223359 QFRJTENRHZIKRV-GIJQJNRQSA-N 377.242 4.018 30 50 GIEA COc1cc(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cc(OC)c1OC 67804751 VLOBJHZCIHTIJV-UHFFFAOYSA-N 397.381 4.173 30 50 GIEA C[C@@H]1C[C@H]1c1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875252283 HHYAEGJDKPRFSF-RAIGVLPGSA-N 393.468 4.482 30 50 GIEA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 709943 DGDYPHRDGIZXOY-HSZRJFAPSA-N 391.467 4.342 30 50 GIEA COc1ccc(S(=O)(=O)Nc2cc(-c3csc(C#N)c3)ccc2C)cc1 68267081 STJKZARVVAISJM-UHFFFAOYSA-N 384.482 4.405 30 50 GIEA Cc1cccc(NS(=O)(=O)c2cccc(Br)c2Cl)c1C#N 225400026 QGYLJPCWPALDGD-UHFFFAOYSA-N 385.670 4.083 30 50 GIEA C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccncc1 2370726 OJCNMEMZVIIVII-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)c1 4916184 ACCQNCZBWFORHU-LPHOPBHVSA-N 391.467 4.017 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 5578605 PJPJZUAYAKBBTQ-GOSISDBHSA-N 383.831 4.113 30 50 GIEA CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 2229670 PNFSQQOLVWEICD-UHFFFAOYSA-N 380.558 4.237 30 50 GIEA C=Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccn2)CC1 5354763 RXTMJSYVQDBRSS-UHFFFAOYSA-N 394.482 4.032 30 50 GIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 5562345 KNNOOSLGQLFSIL-KRWDZBQOSA-N 398.256 4.213 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 25761653 NTBMEFMRYPMEOP-FQEVSTJZSA-N 393.874 4.342 30 50 GIEA C#CCCC1(CCC(=O)N(CC)Cc2ccc(N3CCC(OC)CC3)cc2)N=N1 2325892213 FASHSRXRXHTNLQ-UHFFFAOYSA-N 396.535 4.006 30 50 GIEA CC(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1 8715650 FUFSXUCGFBRTGY-INIZCTEOSA-N 378.266 4.066 30 50 GIEA C=CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br 12343911 UAMGWWBLURYAGN-FOWTUZBSSA-N 399.244 4.111 30 50 GIEA C[C@@H](C(=O)O)n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c2ccccc21 71760136 MQYZTOOHVMILGF-ZDUSSCGKSA-N 398.422 4.175 30 50 GIEA CCCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1 2862126 GCSKVCDDKDYMIZ-UHFFFAOYSA-N 384.501 4.441 30 50 GIEA Cc1cc(C)nc(/N=C(/N)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1 4133347 CEKBJFYATSGZDS-UHFFFAOYSA-N 381.867 4.384 30 50 GIEA CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2ccco2)C1=O 5092676 COHBTVXZIXTWRU-UVTDQMKNSA-N 375.833 4.477 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(F)cc1 9332247 SJMJQFXXZZWERM-QMFLXTPQSA-N 393.443 4.250 30 50 GIEA COC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 100045750 MTPAEVBJFREPLP-CRCLSJGQSA-N 377.442 4.071 30 50 GIEA C=C(C)COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217897723 GUFBEPRJPWNXND-MRXNPFEDSA-N 392.407 4.198 30 50 GIEA biogenic CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 1156172 OOMHMDVYKXXYSY-WSDLNYQXSA-N 384.423 4.315 30 50 GIEA CCOc1cc(/C=N/Nc2nc(C)nc3sc4c(c23)CCCC4)ccc1O 4018730 SKOGNIXALPTJEF-SRZZPIQSSA-N 382.489 4.429 30 50 GIEA C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCCn1ccnc1 12245480 CFGKFVJBNHRUMX-UHFFFAOYSA-N 388.924 4.074 30 50 GIEA CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccncc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 16012893 YOCZJRFTEUKZJH-HBMCJLEFSA-N 382.467 4.098 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 138708972 QANGUEGDIZBQNM-SYUUKGODSA-N 385.531 4.105 30 50 GIEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1CCCN(Cc2cccs2)C1 827801569 VJTQNFQAUJDAAO-SFHVURJKSA-N 394.540 4.036 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 2881581 QDKWJHTWWJONJH-UHFFFAOYSA-N 399.299 4.198 30 50 GIEA Brc1cc2c(cc1/C=N/Nc1nc3ccccc3s1)OCO2 4713423 JAMQSPIXOWEZEX-REZTVBANSA-N 376.235 4.234 30 50 GIEA C=CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(C)cc2)cc1 4819925 GILDFJZYNITNMD-RCCKNPSSSA-N 389.451 4.437 30 50 GIEA CC(=O)OC/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257358681 VUBSNEZHSXMUCR-QUQVVLSESA-N 386.532 4.225 30 50 GIEA C/C(O)=N/[C@H](CC(=O)N1CCC[C@H]1C1CCOCC1)c1ccc(Cl)cc1 329392767 VWRKRRYXTMDPTO-MOPGFXCFSA-N 378.900 4.165 30 50 GIEA C=C[C@@H](C)CC(=O)N1CCCC[C@@H]1c1cn(-c2ccc3sc(C)nc3c2)nn1 1875337650 CEUCUICGBDQFST-AUUYWEPGSA-N 395.532 4.451 30 50 GIEA CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 2880971 LWAMOZWGPKSQIM-UHFFFAOYSA-N 397.891 4.221 30 50 GIEA Cc1sc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C#N)c1C 5027994 CNBKFLZKNRIUJC-UHFFFAOYSA-N 384.461 4.387 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccccc1-2 4755082 AMNXXCLNVPOTHP-SFHVURJKSA-N 378.457 4.328 30 50 GIEA COc1cc(/C=C/C(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc(OC)c1OC 230509965 WAIJUCXDFOUPEM-SOFGYWHQSA-N 398.455 4.418 30 50 GIEA C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccccc2OC)s1 8738142 DKNFNKGDGMGXBF-UHFFFAOYSA-N 396.472 4.498 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 170615344 URLBJHJWUSHIBL-WMZHIEFXSA-N 394.467 4.332 30 50 GIEA COc1ccc([C@H]2CCCCCN2C(O)=Nc2ccc3nc(C)nn3c2)cc1 329775540 JGZBKDLNZBELAU-LJQANCHMSA-N 379.464 4.209 30 50 GIEA C=CCOc1ccccc1CN1CCC2(CC1)C[C@@H]2C(=O)NCc1cccs1 14992526 HHHWHXFRQJAMOB-HXUWFJFHSA-N 396.556 4.231 30 50 GIEA COCCOCc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccc1F 170597552 ICYURANTSPEIIU-UHFFFAOYSA-N 390.499 4.217 30 50 GIEA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(F)c(C#N)c3Cl)C[C@H]21 225466327 DMEYGMPQWUWJKV-SRCQZFHVSA-N 393.890 4.086 30 50 GIEA CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccco3)c2C#N)C1 1132366 VQYHXXOCQYDLSW-NSHDSACASA-N 387.530 4.491 30 50 GIEA COC(=O)c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 15016526 HXUJBGYJRIOQNQ-YBEGLDIGSA-N 386.860 4.327 30 50 GIEA C=CCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 15064963 GBTBPLJDAKQROK-UHFFFAOYSA-N 389.455 4.248 30 50 GIEA Clc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 19773206 ZUJRXUYYSUMLSA-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA CCOc1ccccc1NC(=O)C(=O)CC(=O)C1=C(C)Nc2ccccc2S1 100742264 OFXRDYFBGBMQIL-UHFFFAOYSA-N 396.468 4.001 30 50 GIEA C=CCNC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2Cl)cc1C 156420414 VWFUBXUKMIOZPM-UHFFFAOYSA-N 394.862 4.002 30 50 GIEA O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Cl)cc1 5214276 ISXYXTOWIYQNTK-VYXQJKENSA-N 378.284 4.158 30 50 GIEA Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3)o2)cn1 6828156 DSKCCHHXIKKOFD-CMDGGOBGSA-N 387.233 4.251 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc2c1=O 1137123 MHLYVNAYFQRYTD-UHFFFAOYSA-N 376.890 4.272 30 50 GIEA COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(Cl)cc1Cl 1195803 FEBMDINAILHOHS-GZIVZEMBSA-N 377.231 4.055 30 50 GIEA C=CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 2177197 YFTKICVHNRHLLR-PDGQHHTCSA-N 395.436 4.186 30 50 GIEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O 6819509 UKRITWHCNYLXJT-DZGCQCFKSA-N 397.858 4.059 30 50 GIEA CC(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Br)cc1 8715649 FUFSXUCGFBRTGY-MRXNPFEDSA-N 378.266 4.066 30 50 GIEA C#CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 212583783 JGAAQTGBSLHOGR-OAQYLSRUSA-N 377.440 4.172 30 50 GIEA C#CCOc1cc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)ccc1OC 952959907 FLJLOCPCXISHHG-FQEVSTJZSA-N 393.483 4.040 30 50 GIEA Cn1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 5740706 ADYHAVJIADJFAC-MFKUBSTISA-N 378.435 4.437 30 50 GIEA COCCCN1C(=O)CS/C1=N\c1cc2oc3ccccc3c2cc1OC 13960884 NODSJGBOSARWTA-MRCUWXFGSA-N 384.457 4.194 30 50 GIEA Cn1cc(/C=C2/C[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@H]3O)CC2=O)cn1 118916364 MEBTWHFCEXALJM-IXULXCPBSA-N 382.548 4.386 30 50 GIEA CC(=O)OC/C=C1/CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257355415 APAJGQRLHCDZTD-KNVYJSEBSA-N 384.516 4.001 30 50 GIEA Cn1nc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1C(F)(F)F 2777841 SYMZCWSZIKCLMH-UHFFFAOYSA-N 393.621 4.040 30 50 GIEA CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cc(-c2ccccc2[N+](=O)[O-])co1 19800683 PJXNZBOGAQWMOQ-UHFFFAOYSA-N 380.400 4.268 30 50 GIEA C=CCn1c(-c2cccnc2)nn(CN2CCCc3cc(F)ccc32)c1=S 164544688 WIMABVWBKDRGPT-UHFFFAOYSA-N 381.480 4.211 30 50 GIEA Cc1csc([C@H](C#N)C(=O)C[C@H]2Cc3ccc(Br)cc3C2)n1 2325794504 DRHQHUCSFZQMMU-XHDPSFHLSA-N 375.291 4.195 30 50 GIEA COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)c1 217967090 OVKKQVJEHVRQFK-NDENLUEZSA-N 376.364 4.261 30 50 GIEA biogenic Cc1nc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)sc1C 328602561 CBYJMHWJZPIZKI-ZWKOTPCHSA-N 382.489 4.371 30 50 GIEA Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 1142270 BBODITLMHABHHM-UHFFFAOYSA-N 379.485 4.148 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1771144 LWFDYGDSYZJJJL-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl 5734668 AXPCKPFDZISXTK-IXJMWADBSA-N 378.284 4.158 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 6819670 ZICRGFIMPXXPPD-YJBOKZPZSA-N 381.859 4.353 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccnc3)CC(=O)O4)C2=O)cc1 217931402 LONZWPOFEVAKCO-HDOAHBKWSA-N 399.402 4.147 30 50 GIEA biogenic CN(C)c1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 244795777 RNIQDJHIYCOASO-UHFFFAOYSA-N 396.538 4.474 30 50 GIEA COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccccc1)C3=O 253407684 KBLKPEHHGARVMN-LSPINASFSA-N 399.402 4.499 30 50 GIEA biogenic N#Cc1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 4687304 SLNXFCLDGBGPEE-UHFFFAOYSA-N 396.472 4.259 30 50 GIEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 100557250 SDLCLJYAVNBLEA-UWJYYQICSA-N 395.499 4.013 30 50 GIEA Cc1c(Cc2ccccc2)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N 632110 IMUPTBYRAYJVIF-UHFFFAOYSA-N 382.467 4.095 30 50 GIEA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)C(=O)C2=O 2172651 LYYBYAIJZIINMI-RPWUZVMVSA-N 387.435 4.095 30 50 GIEA Cc1c([C@H](C)NCc2ccc(C#Cc3cncnc3)cc2)cnn1-c1ccccc1 12228767 RJDRFMZOUJICET-IBGZPJMESA-N 393.494 4.221 30 50 GIEA COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1OC 1143199 RUUDLIBAELMTKD-BQYQJAHWSA-N 380.213 4.414 30 50 GIEA COc1cccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)c1 3415913 PSTJEAQXHBWCBZ-UHFFFAOYSA-N 380.835 4.378 30 50 GIEA COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1/C=N/O 13146848 KAYVCKFGCZSLAN-RGVLZGJSSA-N 387.848 4.272 30 50 GIEA Cc1nc([C@@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n[nH]1 170607517 URUUIFFFWUZJJM-HXUWFJFHSA-N 385.515 4.193 30 50 GIEA CC[C@H](C)n1ncc(/C(O)=N/[C@@H]2CCCN(C3CCCCC3)C2=O)c1C1CC1 329815859 DQLCHOVOYLMQTC-HNAYVOBHSA-N 386.540 4.360 30 50 GIEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 4996421 DFSPIENFHZPDDV-MOPGFXCFSA-N 383.810 4.070 30 50 GIEA COc1cc(C(O)=Nc2ccc3nc(C)nn3c2)cc(Cl)c1OCC(C)C 328592169 FTLWIUVYDMNCRD-UHFFFAOYSA-N 388.855 4.371 30 50 GIEA COCc1cc(C)nc(SCC(=O)Nc2c(Cl)cccc2Cl)c1C#N 4841171 BIUZQIZBBSXAIA-UHFFFAOYSA-N 396.299 4.446 30 50 GIEA COc1ccccc1N1CC[C@H](CNc2cccc(Br)c2C#N)C1 225493130 XTUICTASVWBGCL-CQSZACIVSA-N 386.293 4.268 30 50 GIEA O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccccc2F)CC1 1062963 TXBHXHIFCPINPU-UHFFFAOYSA-N 384.454 4.188 30 50 GIEA CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12763297 GHTWDTJNXITDAI-LJQANCHMSA-N 385.467 4.035 30 50 GIEA N#Cc1cc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c[nH]1 95502587 YNQPDLVCSOCHKR-OAQYLSRUSA-N 391.563 4.328 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc12 97050945 MOKZRODHZCOADN-FQEVSTJZSA-N 378.472 4.335 30 50 GIEA COc1ccc(N/C=C/C(=O)c2cc(OC)c(OC)cc2Br)cc1 253470825 GHRJAAVOZLMNAF-CMDGGOBGSA-N 392.249 4.283 30 50 GIEA N#CC1(Cc2nc(-c3c[nH]c4nc(Br)ccc34)no2)CCCCC1 1875321072 SSONKMFYWNDABP-UHFFFAOYSA-N 386.253 4.392 30 50 GIEA Cn1cc2c(n1)CCC[C@H]2/N=C(/O)N1CCc2c(Cl)cc(Cl)cc2C1 328732343 IYGZHWPTZHDGGD-MRXNPFEDSA-N 379.291 4.077 30 50 GIEA CS/C(NC(=O)c1ccc(C)cc1)=C(/C(=O)c1ccccc1)[n+]1ccccc1 3122050 AJTPJLLNCXOWEV-UHFFFAOYSA-O 389.500 4.085 30 50 GIEA CCN(c1ccccc1)c1cc(Nc2cnn(Cc3ccc(C#N)cc3)c2)ncn1 2325776502 SGDUFGPCXTUEAL-UHFFFAOYSA-N 395.470 4.495 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 5818325 YEOAFTSKHAENIH-NRFANRHFSA-N 384.435 4.481 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)C1CC1)c1ccnc2ccc(OC)cc12 245226217 KWCBVDIPTCNUQC-CIVZFWGOSA-N 392.499 4.134 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253534495 CSBUEGHWYWGGEI-MXYGYLSMSA-N 380.532 4.306 30 50 GIEA Fc1ccc(N[C@H]2CCCN(Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1 12585695 COPRGYAWIZJYDA-DEOSSOPVSA-N 386.474 4.092 30 50 GIEA OC(=Nc1ccc2c(c1)OCO2)c1sc(-c2ncon2)nc1-c1ccccc1 328593576 LFIRCBIKHUVWAJ-UHFFFAOYSA-N 392.396 4.225 30 50 GIEA C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772492587 VUVNLXFEGKNTAK-VNFDAHQOSA-N 375.509 4.157 30 50 GIEA C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 4386005 NTAQSYUZXGIJGV-SFHVURJKSA-N 375.472 4.007 30 50 GIEA Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc(C#CCCO)cc2)cc1C 12714210 MSBCIQCRBYEQSU-RUZDIDTESA-N 399.538 4.390 30 50 GIEA Clc1ccccc1CN1CCN(N=Cc2cccc(Br)c2)CC1 238950841 ZXHYQEINBUZJTD-UHFFFAOYSA-N 392.728 4.254 30 50 GIEA O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc(Cl)cc1 1668827 KPCYMYFTQLUUID-UHFFFAOYSA-N 390.482 4.035 30 50 GIEA C=CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1ccco1 7458837 OGVALXAFAZHFGM-UHFFFAOYSA-N 378.457 4.191 30 50 GIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 14988242 DRFUFQNADUEITN-SKPFHBQLSA-N 396.531 4.319 30 50 GIEA COc1cc(C#Cc2ccc(C=O)cc2)c(OC)cc1C#Cc1ccc(C=O)cc1 1848350176 YMJXJLJMESXVTN-UHFFFAOYSA-N 394.426 4.128 30 50 GIEA CN(C)c1cc(N/N=C/c2c3ccccc3cc3ccccc23)nc(N(C)C)n1 5005935 CCXBETRZJNLQTC-BUVRLJJBSA-N 384.487 4.361 30 50 GIEA Cc1c([C@@H](C)NCc2ccc(C#Cc3cncnc3)cc2)cnn1-c1ccccc1 12228761 RJDRFMZOUJICET-LJQANCHMSA-N 393.494 4.221 30 50 GIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1 17209226 GWRKQDMVGVEIPG-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA COc1ccc2ccccc2c1/C=N/n1c(S)nnc1COc1ccccc1 1261189 OFOLOXCIXPENDP-LPYMAVHISA-N 390.468 4.190 30 50 GIEA CN(C)N1C(=O)C[C@H](c2ccccc2F)C2=C1C[C@@H](c1ccccc1)CC2=O 1430556 JIKXBJZHSLCNTP-SJLPKXTDSA-N 378.447 4.019 30 50 GIEA C=C(C)[C@@H]1CC=C(CN2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)CC1 12156447 JHNOXPVPUDEOBN-XXBNENTESA-N 387.568 4.015 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 19856862 MUBGRJCTQFIUBZ-XOBRGWDASA-N 397.858 4.468 30 50 GIEA O/C(=N/C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1OC1CCCCC1 328718484 VCDWFOZWDGLBCX-LAUBAEHRSA-N 387.520 4.270 30 50 GIEA COc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 239175839 QSGCVHRZRGYWON-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCN(c2ccccc2)CC1 1775976559 RUIUJWOIYUWEDX-WOJBJXKFSA-N 388.446 4.283 30 50 GIEA C#CCCC1(CCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)N=N1 2325892549 RLFRULNALYMVIH-MHZLTWQESA-N 379.485 4.289 30 50 GIEA CCCCCCCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 299738189 IFCPYAXSGHNGGZ-UHFFFAOYSA-N 383.492 4.101 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccs1 731395 JHTKXQHRRXPHMQ-DEDYPNTBSA-N 381.482 4.288 30 50 GIEA CC[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C#N)C1 2764139 QIPWTHGOZRPTJA-LBPRGKRZSA-N 385.445 4.060 30 50 GIEA O=C1[C@@H](Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1 4579678 WWJBBAVZMXDREP-IQRJPBLOSA-N 375.453 4.361 30 50 GIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 6819774 ZSAYYKPKXZVFKW-FXAWDEMLSA-N 391.467 4.098 30 50 GIEA C=C1[C@H]2CC(=O)[C@H]([C@@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC 13337093 CFUPNMDNSQIWBB-UWOXCDSISA-N 390.520 4.260 30 50 GIEA endogenous,in-man CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 22215928 VUJHIILLQSTQFJ-LJQANCHMSA-N 393.512 4.386 30 50 GIEA O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)o2)cc1 4587358 KHPMEKXYQOBSGK-SRZZPIQSSA-N 399.370 4.120 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 6222629 RUOKZOYNUJFADU-VYXQJKENSA-N 378.284 4.158 30 50 GIEA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 19833398 OZHHSOFAAMMZTK-HZHRSRAPSA-N 395.528 4.345 30 50 GIEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 12403891 NMALSCWAVRRZRQ-RGEXLXHISA-N 392.202 4.092 30 50 GIEA COc1cccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c1O 239025411 BOBCNMVCIDGRBG-UHFFFAOYSA-N 382.489 4.128 30 50 GIEA C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 673459 CRUUCTJMYNEUEF-UHFFFAOYSA-N 393.516 4.115 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 18258129 LLMKRXJFZYQGSU-GOSISDBHSA-N 398.459 4.152 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1 170615207 KLXNLCJBWBQLQU-UNMCSNQZSA-N 398.430 4.162 30 50 GIEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(CC)cc2c1=O 909635 JKORVXWWMWCDAU-UHFFFAOYSA-N 399.541 4.246 30 50 GIEA N#CCCSc1nnc(-c2ccc(Br)cc2)n1Cc1ccco1 4839364 NPEKZIGLLLGLTK-UHFFFAOYSA-N 389.278 4.355 30 50 GIEA N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 5112597 CMLLZWHOHZSMIF-UHFFFAOYSA-N 388.048 4.233 30 50 GIEA CCOc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1O 19772965 SSOGYPFQHBQAHZ-KOEQRZSOSA-N 389.499 4.096 30 50 GIEA COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1Cl 95520197 BDKGQSVKWGWUSN-OAHLLOKOSA-N 398.894 4.251 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 2885423 NUXRXXUEFRPGBA-OEAKJJBVSA-N 394.544 4.374 30 50 GIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 19808844 ANPYGTNREFYFPG-HXUWFJFHSA-N 387.426 4.419 30 50 GIEA C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21 100602469 NTSGPDYOCHNBRV-UHFFFAOYSA-N 389.238 4.452 30 50 GIEA COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CC4)n2)cc1OC 2325866273 GBTYEZWOIYFEKW-QGZVFWFLSA-N 390.464 4.416 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 4726835 CSXMFGWJIMBNLH-NRFANRHFSA-N 382.504 4.064 30 50 GIEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c(OC)c1 217654454 ATXGMHNIJYWIDZ-OAHLLOKOSA-N 380.396 4.014 30 50 GIEA biogenic CC(C)(O)C#Cc1ccc(CN2CCC(CO)(CCc3ccccc3)CC2)cc1 11872968 LDVPTIIUGHMDAG-UHFFFAOYSA-N 391.555 4.016 30 50 GIEA C#CCn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 662007 BTGWTSHBLYCEJG-WOJGMQOQSA-N 375.815 4.025 30 50 GIEA CC[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 670476 GASSIYKEEANMJQ-LBPRGKRZSA-N 378.453 4.493 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccccc1 4285631 OTNTVNQFAVPGFF-UHFFFAOYSA-N 392.484 4.065 30 50 GIEA C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 4386011 SZPHNTVYQCLCJI-IBGZPJMESA-N 389.499 4.397 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)cc1OC 4914402 IFNONTKKZKGTJL-WMZOPIPTSA-N 391.467 4.017 30 50 GIEA Cc1cc(C)nc(NN=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)n1 4981744 KVTKIJNAFFXGKJ-UHFFFAOYSA-N 388.519 4.090 30 50 GIEA C=CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 12433141 CRKSQLXFYFNTBQ-IBGZPJMESA-N 378.472 4.115 30 50 GIEA C=CCOc1ccccc1CN1CCC2(CC1)C[C@H]2C(=O)NCc1cccs1 14992527 HHHWHXFRQJAMOB-FQEVSTJZSA-N 396.556 4.231 30 50 GIEA CN(CCc1ccccc1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 23358922 WSVZUBIIIRRQKF-NRFANRHFSA-N 396.600 4.009 30 50 GIEA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C#N)cc3F)C2)[C@@H]2CCCCN12 2356146565 LSOIRXCIBYQYTE-FUKQBSRTSA-N 397.538 4.449 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 2977415 MMQFBLLJAPJRKP-GOSISDBHSA-N 392.440 4.049 30 50 GIEA COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(C)cc1 4060331 WMMDEQRHMRDZQI-WSDLNYQXSA-N 383.835 4.171 30 50 GIEA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)cc1 11818824 TWHNGAPRUWIPSY-FQEVSTJZSA-N 394.515 4.242 30 50 GIEA O=C(O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 19771668 VYXBOGPOYSXETO-HXUWFJFHSA-N 399.402 4.168 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1196913 PXPJLOGHQOKOQR-MRXNPFEDSA-N 390.208 4.077 30 50 GIEA COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 6819475 YSZDTRPWHZUCRA-CZUORRHYSA-N 381.859 4.353 30 50 GIEA COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 9348905 JIMRNSVFPBQRSP-PSLXWICFSA-N 376.456 4.468 30 50 GIEA biogenic,in-vitro COC(=O)c1ccc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 32609467 NCYCABGOMDCBDG-UMDHDWCXSA-N 394.246 4.494 30 50 GIEA Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3C=C[C@H]2c2c(F)c(F)c(F)c(F)c23)cc1 244874372 XADLBHBVCZGJIZ-RTXFEEFZSA-N 398.377 4.466 30 50 GIEA Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n2nc(C)cc2n1 919825529 KISUQDBZYLDEDX-UHFFFAOYSA-N 383.411 4.262 30 50 GIEA COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)Nc1ccc(C#N)c(F)c1)CC2 1875339176 CDQFJAOTAMINIK-OAQYLSRUSA-N 395.434 4.256 30 50 GIEA C=CCC(O)(CC=C)CN[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14953723 SYGWWNZUNBHFDC-HXUWFJFHSA-N 394.563 4.078 30 50 GIEA CCCN1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 19301136 KDXKAKJLQVZWKN-OZNQKUEASA-N 377.484 4.466 30 50 GIEA C=CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21 32593377 XJQUPCKMRBNPHW-UHFFFAOYSA-N 376.412 4.213 30 50 GIEA Cc1cc(C)cc(NC(=S)/N=C(\Nc2nc(C)cc(C)n2)NC2CCCC2)c1 4711813 MZFHNTSCROZHMU-UHFFFAOYSA-N 396.564 4.407 30 50 GIEA Cc1cc(C)c(C#N)c(S[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 170626400 RQPCGBVOMQYCDW-INIZCTEOSA-N 391.418 4.487 30 50 GIEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2Br)cc1 1155974 QXTKYCLEHIEIOF-XDHOZWIPSA-N 395.322 4.059 30 50 GIEA COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1OC 1212215 OEXFBZFCJFXFNV-SOFGYWHQSA-N 398.484 4.140 30 50 GIEA CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CS1 1789025 HGBABAJHOQNWTJ-UHFFFAOYSA-N 387.555 4.314 30 50 GIEA Fc1ccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)cc1 6059915 JHRHSIHQWDYEJN-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA C=CCN1C(=O)/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 12343739 SAGIWPGZHMHZAW-UUILKARUSA-N 398.292 4.487 30 50 GIEA N#Cc1nc(-c2ccccc2Cl)oc1N1CCN(Cc2ccccc2)CC1 54061442 ULDMFYHDLNWDFH-UHFFFAOYSA-N 378.863 4.189 30 50 GIEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@@H](C)COc2cccc(F)c2)cn1 328628123 NIQRMPLHPHCTJF-ZOCIIQOWSA-N 375.444 4.105 30 50 GIEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 627322 DPWBRKIVBKPSIX-AWEZNQCLSA-N 383.473 4.054 30 50 GIEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 4648968 RMAFAUCLWQNBGO-JOCHJYFZSA-N 387.483 4.305 30 50 GIEA COc1ccc(OC)c(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1 5789819 VDIKQVNRHRMQMJ-CIAFOILYSA-N 398.488 4.294 30 50 GIEA O=C(/C=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OC(=O)c2ccco2)cc1 35350891 MXQDVTRIWSYCHJ-WEVVVXLNSA-N 379.324 4.009 30 50 GIEA CCCCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 96019728 ZGCHTMILSCKJSE-UHFFFAOYSA-N 394.585 4.312 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(F)cc1 9332249 SJMJQFXXZZWERM-QNDYCBLQSA-N 393.443 4.250 30 50 GIEA CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(Cl)c1 5210709 VLICZECLYYAVKV-AKNNAVSPSA-N 380.231 4.285 30 50 GIEA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 20992998 LORHKBBSTWVTAB-MRXNPFEDSA-N 387.570 4.335 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O 1073301 QEXZBSPWFPBYET-UHFFFAOYSA-N 399.299 4.198 30 50 GIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 4915453 IOHJMDAHANSTHT-VQIMIIECSA-N 379.431 4.229 30 50 GIEA CC(C)(O)CCc1cccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1 72474066 NXQKUYOWHDTTOR-UHFFFAOYSA-N 376.500 4.088 30 50 GIEA CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 2603083 PFJJDGMZOHUBLL-MRXNPFEDSA-N 389.879 4.219 30 50 GIEA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1c(F)c(F)c(F)c(F)c1F 2778362 YSISCNGLWREIHO-UHFFFAOYSA-N 399.241 4.114 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(OC)c(OC)c1 170615403 WTQYWMPLIGCHDX-UZLBHIALSA-N 386.469 4.085 30 50 GIEA C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)c2cc(C(F)(F)F)ccc2S1 252670198 JVNNHTPUZTVEGU-KZULUSFZSA-N 397.466 4.205 30 50 GIEA O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccccc1Cl 2214191 FYNSTPNEIKJZDQ-UHFFFAOYSA-N 384.844 4.343 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccn1 2388579 PFTUTHJHCLXXKA-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc2ccccc12 6786367 MITJNOJDODLYBS-NRFANRHFSA-N 387.435 4.065 30 50 GIEA O=C1N/C(=N\N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccccc1 9363684 JPKLBERGUZDEHT-VZMFNRANSA-N 375.453 4.111 30 50 GIEA COc1cc(C#N)cc(I)c1OC/C=C/c1ccccc1 4828704 SEPHDPRQVLPNEG-VMPITWQZSA-N 391.208 4.264 30 50 GIEA COc1ccc(-c2ccc(C)c(N=C(O)N3CCC[C@@H]3[C@@H]3CCCO3)c2)cn1 329075313 BTTYNGKJHXXXNK-UXHICEINSA-N 381.476 4.255 30 50 GIEA Cc1cc(N/C(O)=N/C2[C@H]3CC[C@H]2Cc2ccccc2C3)n(-c2ccccn2)n1 329399168 YISDCTKCXRRALM-OALUTQOASA-N 387.487 4.095 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnc(-c5ccccn5)s4)C[C@H]2C3)OC1(C)C 1776002728 AENWDBGASTXHIN-QVKFZJNVSA-N 397.353 4.263 30 50 GIEA C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)SC1=S 5005714 LHPKPDPQABLRRY-GHRIWEEISA-N 381.478 4.293 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 13285527 PACKCFRWFIXBPJ-MRXNPFEDSA-N 396.306 4.042 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 170615345 URLBJHJWUSHIBL-CVDCTZTESA-N 394.467 4.332 30 50 GIEA C=CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C 1015596 RZYVLLSLNUZZJU-QNGOZBTKSA-N 389.451 4.124 30 50 GIEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc(OC)c3)CC2)c1 1140743 GCNDEZUNQOWPIX-UHFFFAOYSA-N 393.531 4.495 30 50 GIEA COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1Cl 1185333 XBQPTARKHUUHGE-GZIVZEMBSA-N 377.231 4.055 30 50 GIEA N#Cc1c(N)nc2sc(C(=O)c3ccc(F)cc3)c(N)c2c1-c1ccccc1 19595499 PYKLXVMYPHDHCJ-UHFFFAOYSA-N 388.427 4.369 30 50 GIEA CN1CCC[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H]1c1cccs1 375860707 JNDOUDOHFLMBQQ-UZLBHIALSA-N 399.535 4.236 30 50 GIEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1 1079937 PICMZBXUSNNLHB-KRWDZBQOSA-N 380.375 4.262 30 50 GIEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 1170218 XQEBUFPSGNXILF-HZHRSRAPSA-N 394.496 4.195 30 50 GIEA COc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1 1231193 ZCXJZNFTNJAWQT-UHFFFAOYSA-N 375.336 4.326 30 50 GIEA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(CC#Cc1ccccc1)CCO2 14972764 GPSAYQRYBRFILG-VWLOTQADSA-N 383.491 4.209 30 50 GIEA N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1 152799992 BTRHSXCFYCROMH-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)O 252693330 CJQNBXFUHQZFOE-QHZMACHJSA-N 388.504 4.295 30 50 GIEA biogenic C=C[C@@H](C)CC(=O)N1CCCC[C@H]1c1cn(-c2ccc3sc(C)nc3c2)nn1 1875337654 CEUCUICGBDQFST-KUHUBIRLSA-N 395.532 4.451 30 50 GIEA C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 252537247 KUBSBHXLTORJOJ-BFUOFWGJSA-N 387.842 4.195 30 50 GIEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCC1=CCCCC1)C2 14542425 RULXUYFBXZDCHR-HXUWFJFHSA-N 396.579 4.033 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 170615348 URLBJHJWUSHIBL-XXBNENTESA-N 394.467 4.332 30 50 GIEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]1 410325768 LORDWINMZVAGHT-JTQLQIEISA-N 386.399 4.005 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 827922275 POCFUKLTUGYGET-QGZVFWFLSA-N 393.508 4.376 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)cc1OC 4914386 IFNONTKKZKGTJL-AEFFLSMTSA-N 391.467 4.017 30 50 GIEA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 170642828 QOWJBSBIUPSFNO-YJYMSZOUSA-N 382.485 4.446 30 50 GIEA C[C@](/N=C(/O)C[C@@H](O)Cc1ccccc1)(C(=N)O)c1cccc(C(F)(F)F)c1 328596506 XIIDQAHXMGRNRU-QFBILLFUSA-N 394.393 4.406 30 50 GIEA COCc1nc2cc(-c3cccc(C(=O)N4CCC(C#N)CC4)c3)ccc2o1 426584909 VPHJOWJNNBIONO-UHFFFAOYSA-N 375.428 4.017 30 50 GIEA COc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1 1775975507 BYXBEKNFCQVWIP-GOSISDBHSA-N 378.432 4.064 30 50 GIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OCC)c1 2775950 VXNXBGUEASKBOW-NRFANRHFSA-N 383.488 4.397 30 50 GIEA CCn1nc(C)c(/C=C/C(=O)c2ccc(I)cc2)c1C 4652012 VIXNNFLPGMNGBR-MDZDMXLPSA-N 380.229 4.021 30 50 GIEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4986231 VRPPBCLHGKQACG-INIZCTEOSA-N 381.259 4.209 30 50 GIEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(F)ccc1F 12385026 MEQRVCMWCLVXAP-PEECDGGASA-N 398.409 4.196 30 50 GIEA N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4cnccc34)cc2)c1 1330335168 RTMLINKDWKSJGA-UHFFFAOYSA-N 382.423 4.195 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4csc(-c5ccccn5)n4)C[C@@H]2C3)OC1(C)C 1776003202 YBBQZMHLXSFSPP-BTYIYWSLSA-N 397.353 4.263 30 50 GIEA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CCC#N)nc1-c1ccc(F)cc1 100148377 ZPHCEZWOUHXPDX-KGENOOAVSA-N 399.429 4.409 30 50 GIEA CC(=O)/C(=N\Nc1ccccc1)N(/C(=N/Nc1ccccc1)C(C)=O)C(C)(C)C 100384590 FABPEXDSVXSBND-XAESMMJOSA-N 393.491 4.116 30 50 GIEA C[C@@H](/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)c1ccccn1 328608565 ZQAQYMXCYHMYLO-PTSWNOGYSA-N 380.423 4.202 30 50 GIEA Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](CNc2ccc(C#N)nc2)C1 1875338832 NIHVQBZZFJQCNO-RBUKOAKNSA-N 376.504 4.106 30 50 GIEA O=C1C2=C(c3ccccc3CC23CCCCC3)n2nnnc2[C@H]1Cc1ccccc1 2469579 YLIIJLSGDPBOGK-FQEVSTJZSA-N 396.494 4.348 30 50 GIEA O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc2ccccc12 18324871 CDJCUMVPZLDIRS-GOSISDBHSA-N 375.453 4.088 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccc(C)c1 225506431 DJNVJPXIMDCSLQ-REWPJTCUSA-N 394.467 4.332 30 50 GIEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/Cc2ccc(Br)cc2)cn1 328643350 YUPBDLOWJYUKSD-DLBZAZTESA-N 392.297 4.461 30 50 GIEA N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)C2)nc1 455141114 IMFYQWONIWQSFM-GFCCVEGCSA-N 392.793 4.229 30 50 GIEA O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 831654 ZPGOJSAXRPXJML-WSDLNYQXSA-N 389.367 4.326 30 50 GIEA C[C@H]1CN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)C[C@H](C)O1 1050050 YYDPYCVTMNIQCM-QWRGUYRKSA-N 382.247 4.046 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 1082071 HJVJWPHAAAACPT-PGRDOPGGSA-N 388.467 4.006 30 50 GIEA O=C1C2=C(c3ccccc3CC23CCCCC3)n2nnnc2[C@@H]1Cc1ccccc1 2469577 YLIIJLSGDPBOGK-HXUWFJFHSA-N 396.494 4.348 30 50 GIEA CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 4043589 DWERWCKSPSJLPR-QFIPXVFZSA-N 396.531 4.452 30 50 GIEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 6819511 BPDGWADBFUGIRH-RHSMWYFYSA-N 381.859 4.353 30 50 GIEA CC(=O)O/N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21 14806912 OPQRFPHLZZPCCH-PGMHBOJBSA-N 397.645 4.461 30 50 GIEA in-vitro Cc1ccc(-c2n[nH]c3c2CN(Cc2ccc(C#CC(C)(C)O)s2)CC3)cc1 23153331 ZXZDAMLPHMJJDN-UHFFFAOYSA-N 391.540 4.127 30 50 GIEA C[C@@H](O)c1cc(N=C(O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)ccc1F 328592888 AZJKFEWDGHJQJV-SNVBAGLBSA-N 394.328 4.115 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc[n+](Cc2ccccc2)c2ccccc12 976488 QANGUEGDIZBQNM-DYCBMTEISA-N 385.531 4.105 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1170233 YTHIZUDWNLXOKX-OAQYLSRUSA-N 377.400 4.122 30 50 GIEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)CC1 2332066 GJDMNMXTYMDNGY-UHFFFAOYSA-N 381.911 4.056 30 50 GIEA O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 6224352 GOOQPHLVRPCNFW-QGMBQPNBSA-N 394.243 4.331 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(Cl)c1 7720354 USUXQSKRNWGCNB-UHFFFAOYSA-N 383.835 4.227 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(Cl)cc1Cl 5215023 HZOCNBQXZIKIBC-VYXQJKENSA-N 378.284 4.158 30 50 GIEA C#CCN(Cc1ccco1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 11840211 CCZWIJHDQDDMAO-UHFFFAOYSA-N 384.435 4.482 30 50 GIEA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 17081179 KHHUOSGSCCMGJA-CZUORRHYSA-N 396.830 4.253 30 50 GIEA NS(=O)(=O)c1cccc(C/N=C(/O)C2(C3CCCCC3)CCCCC2)c1 329028864 PARJAYAPAJIUSA-UHFFFAOYSA-N 378.538 4.321 30 50 GIEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)c1 1506401423 DAZFZKDTJWSMLD-QFIPXVFZSA-N 391.511 4.142 30 50 GIEA C#CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2946187 QMFGXNVTYMZJPZ-CYVLTUHYSA-N 379.506 4.143 30 50 GIEA O=C1CCCC2=C1C(c1ccc(O)c(Br)c1)C1=C(CCCC1=O)O2 1156618 RELKBWXEMXCDKX-UHFFFAOYSA-N 389.245 4.283 30 50 GIEA C=CCOC(=O)COc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1 2105095 NHDRUNJFSJAAQH-UHFFFAOYSA-N 396.395 4.010 30 50 GIEA biogenic Cc1cccc(-n2nnnc2C2(/N=C/c3ccc([N+](=O)[O-])cc3)CCCCC2)c1 4380243 XITWUNYSBARHBE-PXLXIMEGSA-N 390.447 4.157 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 19300830 CDNQCJQVSRUXHI-LJQANCHMSA-N 383.488 4.252 30 50 GIEA Cc1ccc(S(=O)(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 34574881 GMFIVTJDNKVZIG-UHFFFAOYSA-N 393.508 4.174 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1ccc(F)cc1 225509839 JNWOJHMVINNLNO-DENIHFKCSA-N 398.430 4.162 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC([C@H](O)c2cccs2)CC1 1506431671 UVJNQSRQZQJWCA-QHCPKHFHSA-N 395.524 4.227 30 50 GIEA C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C 14979064 POZUKAGPUKLZKZ-UHFFFAOYSA-N 393.516 4.130 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)c1 4916362 FDUMTOBNHJXEAS-QFBILLFUSA-N 391.467 4.017 30 50 GIEA O=C(COC(=O)c1cccc(C#Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 2903436 WDCOQHJLAVUWBV-UHFFFAOYSA-N 385.375 4.034 30 50 GIEA C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCCCC)[C@H]1C2 58568788 AQTJNEHGKRUSLT-ODTNPMSZSA-N 386.488 4.224 30 50 GIEA biogenic,in-vitro CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(CC)nc1 71765541 KWOYMPJZBIXXFX-CQSZACIVSA-N 379.508 4.180 30 50 GIEA N#Cc1cccc(CN2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)c1 95503109 BXYQLDUORLVBFN-UHFFFAOYSA-N 393.918 4.226 30 50 GIEA CC(=O)OC/C=C1/CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257355418 APAJGQRLHCDZTD-RVJKGPBASA-N 384.516 4.001 30 50 GIEA CC(C)CCN1CCC[C@]2(CCc3c(N4CC(C#N)C4)nc(C(C)(C)C)nc32)C1 1875247335 SPNAVWZCRYCADL-DEOSSOPVSA-N 395.595 4.060 30 50 GIEA CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCc1ccccc1Cl 1127059 GHJIMJZIGNHYKN-LJQANCHMSA-N 386.904 4.301 30 50 GIEA Cc1ccc(S(=O)(=O)[C@@H](N=C(Cl)Cl)C(Cl)(Cl)Cl)cc1 2686463 MPKKQPIXYDARBM-MRVPVSSYSA-N 383.511 4.299 30 50 GIEA COc1cccc(NC(=O)COc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 2975188 ZVWILPCRIMDKEQ-UHFFFAOYSA-N 397.246 4.288 30 50 GIEA C=CCc1ccccc1OCc1cc(/C=N/n2cn[nH]c2=S)ccc1OC 8493070 JAYRSVWJRULALL-WSDLNYQXSA-N 380.473 4.139 30 50 GIEA COc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1OC 9332418 HQPVGIOZDALHKK-CIAFOILYSA-N 398.488 4.294 30 50 GIEA CCCCc1n(C)c(=O)c2c3ccccc3sc2[n+]1CC(=O)c1ccccc1 19878835 FGRVJADLMWCJQI-UHFFFAOYSA-N 391.516 4.266 30 50 GIEA Cc1nc(CC2CC2)sc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 330037669 ZJSJQMYIUYQSQZ-GFCCVEGCSA-N 398.454 4.187 30 50 GIEA C[C@H]1CCc2c(sc(NC(=O)c3cc(-n4cnnc4)ccc3Cl)c2C#N)C1 4857377 AUENRYWZEBUMLO-NSHDSACASA-N 397.891 4.231 30 50 GIEA C#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 15076869 RQZBPFBGWDRCKZ-OAQYLSRUSA-N 375.468 4.190 30 50 GIEA C=CCn1c(SCC(N)=O)nnc1-c1csc(C)c1-c1ccc(C)cc1 17078565 ORHSISXHEZTANV-UHFFFAOYSA-N 384.530 4.054 30 50 GIEA Oc1ccccc1/C=N\CCN(CC/N=C\c1ccccc1O)c1ccccc1 18066205 KRFPKOOMJXCUCZ-HSLKWFPPSA-N 387.483 4.142 30 50 GIEA Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 2847347 SKXWNALFYWARSQ-OEAKJJBVSA-N 384.395 4.162 30 50 GIEA COCc1cc(C)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N 2879059 XPZAZTZLHPHCJK-UHFFFAOYSA-N 396.299 4.446 30 50 GIEA N#CCc1cccc(Br)c1OCC(=O)Nc1ccc(F)c(Cl)c1 225824941 ZATIZQXAYOYCPY-UHFFFAOYSA-N 397.631 4.325 30 50 GIEA CC(C)CC[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Cl)cc1 1473322520 YRRZPLJGWBZJMU-SFHVURJKSA-N 383.883 4.227 30 50 GIEA CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 4043591 DWERWCKSPSJLPR-JOCHJYFZSA-N 396.531 4.452 30 50 GIEA N#Cc1cc(Nc2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1C#N 4810303 CLEVQKAUGXTBHV-UHFFFAOYSA-N 383.367 4.334 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)s1 12300572 OZBALQSJVXLCHA-MRXNPFEDSA-N 390.499 4.225 30 50 GIEA CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257358680 VUBSNEZHSXMUCR-JQFZJGTRSA-N 386.532 4.225 30 50 GIEA CC1(C)C[C@@]2(C[C@@H]2C(O)=Nc2cccc(CS(C)(=O)=O)c2)c2ccccc2O1 328604719 LAHHVQMKUZWRMT-GCJKJVERSA-N 399.512 4.338 30 50 GIEA CS(=O)(=O)C1(C/N=C(/O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)CCC1 330026501 LNEWDFUHVDFYHF-QGZVFWFLSA-N 398.956 4.138 30 50 GIEA C=CCn1c2ccccc2c2nnc(SCc3ccc([N+](=O)[O-])cc3)nc21 1130241 NWIBBQOTPZIRGP-UHFFFAOYSA-N 377.429 4.366 30 50 GIEA COc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 1151803 WSCFPUOXAHJPBZ-ZHACJKMWSA-N 379.197 4.108 30 50 GIEA COc1ccccc1C/C(N)=N/OC(=O)CC(c1ccccc1)c1ccccc1 4913772 IIVVSLZAYFDYRT-UHFFFAOYSA-N 388.467 4.275 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 6819677 ZICRGFIMPXXPPD-MAUKXSAKSA-N 381.859 4.353 30 50 GIEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 225495438 AAASQGZXSCFKMN-APWZRJJASA-N 388.558 4.455 30 50 GIEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 1857739381 PYHOLXZKSJENQU-KRWDZBQOSA-N 398.890 4.460 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 2775215 XBFNONSWWYZTPX-GOSISDBHSA-N 377.531 4.012 30 50 GIEA COc1ccc(C(=O)/C=C/c2cc(Br)cc3c2OCCO3)cc1 5670378 KBGXNRMGIVMCDZ-QPJJXVBHSA-N 375.218 4.125 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 9013384 YLSIJWSBEYKASE-IBGZPJMESA-N 383.419 4.213 30 50 GIEA CCn1cc(C(=O)CSc2nc(C)cc(COC)c2C#N)c2ccccc21 10007517 XVMSOOBCYIZYLH-UHFFFAOYSA-N 379.485 4.358 30 50 GIEA C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 263142837 ZVCGQJJUEUVIMW-HUUCEWRRSA-N 384.398 4.265 30 50 GIEA CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccccc1O 2325723338 WWHMGIBCMHWXLA-FQEVSTJZSA-N 394.519 4.477 30 50 GIEA Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1ccccc1 11879477 DSMLBFWCFFPSMP-MRXNPFEDSA-N 379.529 4.215 30 50 GIEA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(CC#Cc1ccccc1)CCO2 14972768 GPSAYQRYBRFILG-RUZDIDTESA-N 383.491 4.209 30 50 GIEA O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 19775025 SQWDOAIRYGOUIG-UHFFFAOYSA-N 380.491 4.044 30 50 GIEA Cc1c(F)ccc2[nH]c(C(=O)N3CC[C@]4(B5OC(C)(C)C(C)(C)O5)C[C@H]4C3)cc12 1776002747 BDVWDTHEGVIIHG-FPTDNZKUSA-N 398.287 4.314 30 50 GIEA Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 1857525242 IMHWUDTYEQIITA-MOROFZLOSA-N 380.532 4.306 30 50 GIEA Cn1cc(/C=C2/C[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](O)CC[C@H]43)CC2=O)cn1 1857525383 MEBTWHFCEXALJM-AFGSHZLVSA-N 382.548 4.386 30 50 GIEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 2341836 HMJRARSIBSVSPK-GRKKMJAJSA-N 385.836 4.343 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccc(Cl)cc1 6222234 YNRYLJCKWOYNAS-IXJMWADBSA-N 378.284 4.158 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(C)cc1 225512725 DZXBPKJFAQRXFM-GMAHTHKFSA-N 377.484 4.380 30 50 GIEA CC(=O)OC/C=C1/CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257358682 VUBSNEZHSXMUCR-UYGNMFRASA-N 386.532 4.225 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(C)o1 4756074 PEYWGERIGNJILG-HXOBKFHXSA-N 391.467 4.431 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)nc1Cl 25695223 QPZQGEUNQQYGMK-HNNXBMFYSA-N 395.286 4.165 30 50 GIEA Cc1cc(Cl)ccc1/N=C/N(C)SN(C1CCCCC1)S(C)(=O)=O 71770454 HVJOPBPUEOHNCD-LDADJPATSA-N 389.974 4.398 30 50 GIEA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)cc1 239174593 QGYCFTTWTKCJOW-ILRDRHFLSA-N 392.480 4.365 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(F)cc1 328597219 GACDKTWIBORZSE-RBBKRZOGSA-N 381.447 4.211 30 50 GIEA C[C@@H]1Oc2ccccc2[C@@H]1/N=C(/O)N[C@H]1c2ccccc2CC12CCOCC2 329548882 BJBYHHFAYZKVCN-RVHYNSKXSA-N 378.472 4.106 30 50 GIEA CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19773002 IASKDEZLTHUFJE-JJIBRWJFSA-N 384.955 4.338 30 50 GIEA C=C1[C@H]2CC(=O)[C@@H]([C@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC 70454428 CFUPNMDNSQIWBB-ZDKMPTGVSA-N 390.520 4.260 30 50 GIEA endogenous,in-man C=CCSc1nnc([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)n1C 20149437 DKFMVZBAWQICFH-CYBMUJFWSA-N 380.920 4.265 30 50 GIEA O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 44018912 VHKXRKSVDHHDGD-YBFXNURJSA-N 377.878 4.348 30 50 GIEA C#CCCC1(CCC(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccc(Cl)cc2)C3)N=N1 2325899676 QVAGBZNSVCAFDY-RUYXUALKSA-N 385.895 4.037 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(Cl)c1 636921 LXEHVFMNCSPGTB-GOSISDBHSA-N 389.879 4.126 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 820520 NLJJIMCQTAHORF-LJQANCHMSA-N 398.459 4.150 30 50 GIEA COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c(=O)oc12 1054897 BYZPEVHDRJKYAY-NSHDSACASA-N 394.452 4.112 30 50 GIEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 17078124 HUKUUQJBDHCEPT-WXUSHSQQSA-N 382.485 4.371 30 50 GIEA C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 252537249 KUBSBHXLTORJOJ-ORAYPTAESA-N 387.842 4.195 30 50 GIEA Cc1nc(-c2ccc(C(=O)N(C)[C@H](C)c3ccncn3)cc2)c(C#N)c(C)c1C 584886951 YUVVLYWKNKJRRG-QGZVFWFLSA-N 385.471 4.169 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1cccc(OC)c1 1080298 VIMAFEYDMIJIGA-FPOVZHCZSA-N 383.419 4.066 30 50 GIEA Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2c1CCCC2 1120101 AMGBLABZYGJJED-UHFFFAOYSA-N 398.557 4.207 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccs1 2844410 OTAYBVMRRAFUDU-ZUOKHONESA-N 383.469 4.266 30 50 GIEA COc1cc(/C(C)=N/N2CCN(Cc3cccc4ccccc34)CC2)ccc1O 19791097 XHRTUMYFQFTYTA-XIEYBQDHSA-N 389.499 4.096 30 50 GIEA CCCNc1nc(CSc2nc(C)cc(C)c2C#N)c(C(=O)OCC)s1 20606414 PGZXFAHIJDDWLF-UHFFFAOYSA-N 390.534 4.318 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 2055199 RZAWYJUFSGEUHV-NRFANRHFSA-N 383.488 4.395 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 6222631 RUOKZOYNUJFADU-IXJMWADBSA-N 378.284 4.158 30 50 GIEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 6819510 BPDGWADBFUGIRH-PBHICJAKSA-N 381.859 4.353 30 50 GIEA CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccno2)s1 65373752 OOLMRUNTPGGFNK-UHFFFAOYSA-N 389.480 4.437 30 50 GIEA C#CCCC1(CCC(=O)N[C@H]2CN(Cc3ccccc3)C3(CCCC3)C2)N=N1 2325886720 GKVBUYZTPJSKQY-HXUWFJFHSA-N 378.520 4.046 30 50 GIEA CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 1059675 LQKVBZOLQQBYFL-HNNXBMFYSA-N 386.546 4.415 30 50 GIEA C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 1135382 WWPHCUUJOAAKOR-MHWRWJLKSA-N 386.385 4.086 30 50 GIEA CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)cc1)/C(=N/O)CC(C)(C)C2 1201314 NPZDIUOZGOJUKD-JJIBRWJFSA-N 382.460 4.393 30 50 GIEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2O)C(=O)C1 100004760 JJUPYVIJLVDFPF-LJQANCHMSA-N 384.472 4.251 30 50 GIEA C#CCOc1cc(F)ccc1NC(=O)Nc1c(-c2ccccc2)c(C)nn1C 1875391556 BPZJZJDTBANBFC-UHFFFAOYSA-N 378.407 4.191 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 1082067 GYISVRBJGCQSTL-GAJHUEQPSA-N 388.467 4.006 30 50 GIEA COc1cc(C#N)cc(I)c1OCc1ccc(C)cc1 2883389 IPILERFYKOYGHW-UHFFFAOYSA-N 379.197 4.059 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccncc1 6907614 ZTXJUPCABFKCFL-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA C=CCn1c(=O)c(C(=O)Nc2nc3ccc(C)cc3s2)c(O)c2ccccc21 100602519 OHRGRJMFCQLRHD-UHFFFAOYSA-N 391.452 4.064 30 50 GIEA Oc1ccc(Br)cc1C=NN=Cc1cc(Br)ccc1O 254865413 LEEGNGSQQIHNKM-UHFFFAOYSA-N 398.054 4.076 30 50 GIEA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(CC2(C#N)CC2)n1 1875286076 LONUCZXELUDBSN-SECBINFHSA-N 382.645 4.472 30 50 GIEA O=C(c1cc([C@H]2CC2(F)F)cc(C(F)(F)F)c1)N1CCC[C@](O)(C(F)F)C1 1875310055 BDTMHWRQWMFCFA-IUODEOHRSA-N 399.306 4.060 30 50 GIEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 2399549 SBHGHNHQBGNJBL-YBFXNURJSA-N 383.433 4.185 30 50 GIEA N#Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(F)c1 8590959 CWYRVBFAUUQULF-UHFFFAOYSA-N 391.793 4.337 30 50 GIEA O=C(NC[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1)c1ccco1 14971961 JJPZNXCKGAYQCE-JOCHJYFZSA-N 398.506 4.321 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OC)c(OC)c1 170615400 WTQYWMPLIGCHDX-OXJNMPFZSA-N 386.469 4.085 30 50 GIEA COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O 253413971 WCULQNGNXFVRCK-HAKPAVFJSA-N 389.363 4.092 30 50 GIEA biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@H]5O[C@]5(/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 1857526830 DQUBYFKUBFHVEG-FRFPYKLCSA-N 387.520 4.479 30 50 GIEA C[C@@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1 4458614 SOEVJGQJGNFOCF-CYBMUJFWSA-N 382.261 4.153 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)cc1OC 4915376 NKPUSJACIYBNEY-ROUUACIJSA-N 391.467 4.017 30 50 GIEA O/C(Cc1cn2cc(Cl)cc(Cl)c2n1)=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 328845016 QCXWNZHSPHRRNT-XKQJLSEDSA-N 394.302 4.488 30 50 GIEA C=CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 1134361 SRXAHYHFJUBEBY-MHWRWJLKSA-N 386.385 4.086 30 50 GIEA C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 2858502 KVDKKGBKJMCJBY-HNNXBMFYSA-N 396.491 4.387 30 50 GIEA C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1Cl 2858684 IINUUAPMFJWUCH-UHFFFAOYSA-N 398.919 4.193 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)c1 4916182 ACCQNCZBWFORHU-VQIMIIECSA-N 391.467 4.017 30 50 GIEA C=CCCC(=O)NCc1nnc(SCc2ccccc2Cl)n1CC(C)C 11815806 TXWMRWKHIHLJPA-UHFFFAOYSA-N 392.956 4.462 30 50 GIEA Cc1ccccc1/N=C1/NC(=O)[C@H](Cc2ccc(Br)cc2)S1 13477821 MYYFNSIMJPBFTJ-HNNXBMFYSA-N 375.291 4.219 30 50 GIEA C/C(=N\NC(N)=S)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253498880 AKPCCIPQFSCLFK-QGEOBZIVSA-N 389.609 4.135 30 50 GIEA biogenic Cc1ccccc1NC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O 1134692 CGCWDLGDPOIFGW-UHFFFAOYSA-N 397.430 4.475 30 50 GIEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3OC)CC2)c1 1159505 PCDBTVJKQDGUJA-UHFFFAOYSA-N 393.531 4.495 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 2775214 XBFNONSWWYZTPX-SFHVURJKSA-N 377.531 4.012 30 50 GIEA O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1Cl 5214309 NUICNRUIBGARID-MEBUONCMSA-N 384.313 4.219 30 50 GIEA COc1ccccc1OCCN(C)CCC[C@]1(C#N)CCOc2ccccc21 5674879 KZLUCCANDBUTHX-HSZRJFAPSA-N 380.488 4.030 30 50 GIEA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)C#Cc1ccccc1)O2 12122873 JEMGASSQGVGLJO-JOCHJYFZSA-N 395.458 4.028 30 50 GIEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C[n+]1ccccc1 238900516 JCXKLDMPWBYJSG-GXPHPUSFSA-N 394.579 4.483 30 50 GIEA COc1ccc(OCC2CCN(C(=O)Nc3ccc(C#N)cc3F)CC2)cc1 299798101 PLGQSLMMXCGCGU-UHFFFAOYSA-N 383.423 4.029 30 50 GIEA C#CCCC1(CCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)N=N1 2325893685 SALZVPABSRDXRL-FCHUYYIVSA-N 392.547 4.007 30 50 GIEA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2ccc(C#CCCO)cc2)c1C 12441555 PFARLZYCRLRDKO-XMMPIXPASA-N 399.538 4.390 30 50 GIEA O=C(/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 16115583 PZNMLJIQGSBDRM-HXHYHFERSA-N 397.474 4.136 30 50 GIEA CCC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4348816 XXMHIEXYFGCSMD-CYBMUJFWSA-N 380.728 4.133 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)Nc1ccccc1-2 4755081 AMNXXCLNVPOTHP-GOSISDBHSA-N 378.457 4.328 30 50 GIEA C[C@@H](c1ccc(F)c(F)c1)N(C)CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 245264987 FHYSSCOTHPGCTN-BBRMVZONSA-N 392.409 4.195 30 50 GIEA COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6819479 XKSUDNDLYJLNQU-RHSMWYFYSA-N 381.859 4.353 30 50 GIEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S 13546633 CUEQMFRODZCHDF-YVLHZVERSA-N 399.497 4.390 30 50 GIEA Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)C(=O)NC3=O 14944028 KFLRQWPBYVKYGU-UHFFFAOYSA-N 392.418 4.237 30 50 GIEA COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c(OC)c1 19773013 KKMQJNLMMYQLNA-KOEQRZSOSA-N 389.499 4.009 30 50 GIEA C=CCc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cc1 91587166 OVIAVDOVYCMYKH-UHFFFAOYSA-N 386.499 4.075 30 50 GIEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCc2ccccc2)cc1 4530232 QFJNDUTXUFJDLR-PTGBLXJZSA-N 394.496 4.277 30 50 GIEA N#Cc1ccccc1C(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67688424 TUNXXCUDTLOZCU-UHFFFAOYSA-N 378.435 4.300 30 50 GIEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(CC2CCC(F)(F)CC2)C1 1875244660 YGKVKGBSEQXZOG-GOSISDBHSA-N 378.463 4.483 30 50 GIEA COc1ccc(C2=NN(/C(C)=C/C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4579166 HPNKLMMCDWJEJG-KVDXNUTJSA-N 379.416 4.247 30 50 GIEA COc1ccc(CCNc2oc(/C=C/c3cccs3)nc2C#N)cc1OC 4838395 HZIGMFFZVPMARK-SOFGYWHQSA-N 381.457 4.450 30 50 GIEA N/C(=N\OC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 5059762 VSYULGLPQZBGOJ-UHFFFAOYSA-N 388.048 4.233 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)c1 4916309 RTLZXXQPBAOOBT-DNVCBOLYSA-N 391.467 4.017 30 50 GIEA CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC 96019774 MUWYTCGMNNKLPY-UHFFFAOYSA-N 380.558 4.066 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4ccc(OC(F)F)c(F)c4)C[C@H]2C3)OC1(C)C 1776003076 UKXWUJNAQWMSBE-JLTOFOAXSA-N 397.246 4.485 30 50 GIEA COc1ccc(C(=O)C[n+]2cn(Cc3ccccc3)c3cc(C)c(C)cc32)cc1 4542283 RXGJANQORDQTQA-UHFFFAOYSA-N 385.487 4.485 30 50 GIEA C#Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccn2)c1 11937678 JPFZMAIBGKYRAI-DEOSSOPVSA-N 377.447 4.332 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 245238942 CSBUEGHWYWGGEI-KVTROMQXSA-N 380.532 4.306 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 719303 SERARALDUWHHHT-MAUKXSAKSA-N 389.245 4.361 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccn1 1082069 GYISVRBJGCQSTL-UZUQRXQVSA-N 388.467 4.006 30 50 GIEA Sc1nnc(-c2ccncc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1475280 SSQMHZBUNVIYRK-OEAKJJBVSA-N 387.468 4.090 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@@H](C#N)C2)cc1 72412470 XOUBOKSKEGFSCK-KRWDZBQOSA-N 390.462 4.423 30 50 GIEA CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2C=Cc3ccccc3[C@H]2C1(C#N)C#N 245311663 PRYHLLMOEDZPCL-ZLNRFVROSA-N 383.451 4.201 30 50 GIEA CCCN(CCC)c1ccc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)cc1 4991728 QGYPVLVAEWPKSL-HMMYKYKNSA-N 375.494 4.006 30 50 GIEA O=C1N/C(=N/N=C/c2cccs2)S[C@H]1Cc1ccc(Cl)cc1Cl 11847387 HEGIRXVLVLQKLJ-VFJJTOLMSA-N 384.313 4.219 30 50 GIEA O/C(=N/[C@@H]1COc2ccccc21)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328608522 ZGFDMZDTWVRSGL-TUNNFDKTSA-N 389.455 4.099 30 50 GIEA C=CCc1cccc(/C=N/n2c(-c3cccc(OCC)c3)n[nH]c2=S)c1O 1238980 XQACJWLTELTXCE-FYJGNVAPSA-N 380.473 4.323 30 50 GIEA COc1ccc(/C=N/N2CCOCC2)cc1CSc1nc2ccccc2s1 5024453 PNJDQOGHNQWNLH-FYJGNVAPSA-N 399.541 4.263 30 50 GIEA CCN(CC)CCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n12 4192497 SWUDILMHLCFVEP-UHFFFAOYSA-N 375.398 4.132 30 50 GIEA COc1cccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 19536557 MUKIKGVVZQODGT-NRFANRHFSA-N 381.472 4.149 30 50 GIEA Clc1ccccc1CN1CCN(N=Cc2ccccc2Br)CC1 245238182 FLTQNBFKEVWGHR-UHFFFAOYSA-N 392.728 4.254 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c(O)c1 5643978 VIBNGUIZRNDSOG-FYJGNVAPSA-N 381.505 4.350 30 50 GIEA C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12 3873878 NSBRKSWSLRQPJW-WWLNLUSPSA-N 396.487 4.354 30 50 GIEA in-man CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 8214703 TVHAZVBUYQMHBC-SNHXEXRGSA-N 382.541 4.255 30 50 GIEA fda C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 21300829 GCGWWKKSGPETMI-KRWDZBQOSA-N 398.381 4.198 30 50 GIEA in-vitro O=C(OCC(F)(F)[C@@H](F)C(F)(F)F)OCC(F)(F)[C@@H](F)C(F)(F)F 118591652 YMKWZRZOSKKSFP-QWWZWVQMSA-N 390.120 4.211 30 50 GIEA COc1cc(C#N)ccc1OC[C@H]1CCCN(CC2CCC(F)(F)CC2)C1 1875244661 YGKVKGBSEQXZOG-SFHVURJKSA-N 378.463 4.483 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F 1196939 LVWLYXDVWGQALY-INIZCTEOSA-N 379.309 4.334 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1C1CCCCC1 5611801 MCUDEDPPAXZLIE-FYJGNVAPSA-N 380.521 4.299 30 50 GIEA CCOc1cc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)ccc1O 19773233 LSVGUAQTJYFUTO-KOEQRZSOSA-N 389.499 4.096 30 50 GIEA C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCCC3 731933 ZZHBLBJANXFILE-UHFFFAOYSA-N 376.547 4.230 30 50 GIEA COc1ccc(/C=N/Nc2nc(-c3cc4ccc(O)cc4oc3=O)cs2)cc1 4748807 PQYNSSIVQDCLLB-UFFVCSGVSA-N 393.424 4.077 30 50 GIEA N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4ccnc4)CC3)cc2)c1 111766758 BUAWUNQSMHAKCG-UHFFFAOYSA-N 387.443 4.416 30 50 GIEA Cn1cc(/C=C2/C[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](O)CC[C@H]43)CC2=O)cn1 1857525384 MEBTWHFCEXALJM-UPPOFASUSA-N 382.548 4.386 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C)o1 781142 BXHYNXULWASURE-ZUOKHONESA-N 383.469 4.184 30 50 GIEA C=CCSc1nnc2n(C)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 1820339 UQPJDEOBHVLQAN-UHFFFAOYSA-N 392.528 4.131 30 50 GIEA N#CCCCn1cc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)c2ccccc21 444821144 AYGZTNNAUGOGCB-UHFFFAOYSA-N 388.406 4.122 30 50 GIEA CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc3cnccc3c2)C1=O 782323017 KZQLUJSHUDZCQB-CPNJWEJPSA-N 386.407 4.062 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 5094684 GZDAXOWDCFUAPW-NRFANRHFSA-N 387.483 4.324 30 50 GIEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 170004661 CYFLXAGDDONATH-UHFFFAOYSA-N 387.207 4.352 30 50 GIEA Cc1cc(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccccc2Cl)n1 2269636 XVLRRYNVGTVYNV-UHFFFAOYSA-N 379.851 4.276 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccccc1F 4231421 FSNHBDVNZUNVEP-OEAKJJBVSA-N 393.443 4.365 30 50 GIEA CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1OC 4987424 COJSSQFVFSOMKI-CABCVRRESA-N 397.496 4.160 30 50 GIEA C#CCCC1(CCC(=O)N2CCC[C@@H]2c2c(OC)n(C)c3ccccc23)N=N1 1875381621 BHRRGHMCKTXYFE-GOSISDBHSA-N 378.476 4.206 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 19925461 OQPZXJDTPYMOSO-KRWDZBQOSA-N 393.405 4.482 30 50 GIEA C=C(C)C(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681888 DZZAHYHMWKNGLC-UHFFFAOYSA-N 380.153 4.004 30 50 GIEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 225495472 AAASQGZXSCFKMN-VQIMIIECSA-N 388.558 4.455 30 50 GIEA C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)C[n+]3ccccc3)CC[C@H]12 253500705 JCXKLDMPWBYJSG-ZDKYERLUSA-N 394.579 4.483 30 50 GIEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccco3)c2C#N)C1 1132367 VQYHXXOCQYDLSW-LLVKDONJSA-N 387.530 4.491 30 50 GIEA O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)n1ncnc1N2 4866578 ZJIBDAMRTPNERW-KZULUSFZSA-N 382.876 4.409 30 50 GIEA N#CC1CC2(C1)CC(c1nc(-c3cccc(I)c3)no1)C2 2325736043 SEHOYOUJYAXNIN-UHFFFAOYSA-N 391.212 4.139 30 50 GIEA CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 847255 LMWPHZIDXOADJO-NRFANRHFSA-N 396.531 4.310 30 50 GIEA C=C(Cl)CN(CCC(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 3053493 YKSSDVMWFSKQLR-UHFFFAOYSA-N 377.893 4.011 30 50 GIEA COc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 252429327 CYCFKJOMTSSBSV-UHFFFAOYSA-N 383.495 4.417 30 50 GIEA N#Cc1cnn2c(O)cc(CN[C@H](c3ccccc3Cl)C3CCCCC3)nc12 2325849859 CCODPVPDNZWXQV-FQEVSTJZSA-N 395.894 4.371 30 50 GIEA COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C#N)CCC2 2861480 MGJBREMDIJBEHI-UHFFFAOYSA-N 391.290 4.440 30 50 GIEA CCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4348817 XXMHIEXYFGCSMD-ZDUSSCGKSA-N 380.728 4.133 30 50 GIEA CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CO1 5247757 SWJLTKXURNHVHE-UPWXJBBJSA-N 390.863 4.300 30 50 GIEA biogenic,in-vitro O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1 5450573 OGGMVMOIEXUGRA-QGMBQPNBSA-N 377.788 4.191 30 50 GIEA O=C(C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1Nc2ccccc2N1)c1ccccc1 100821584 OXHXZSKCKWWIPE-UHFFFAOYSA-N 385.379 4.410 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cn1 1857525381 AKMGOLMVBIBATQ-WFNPXIORSA-N 382.548 4.386 30 50 GIEA C#CCCC1(CCC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)N=N1 2325894854 SZVLERCOMXSCLP-UHFFFAOYSA-N 375.354 4.185 30 50 GIEA CC(C)/N=C(\O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl 1212952 HZHIJQKHCHFQKU-UHFFFAOYSA-N 382.851 4.491 30 50 GIEA COCc1cc(C)nc(SCC(=O)c2c(C)n(C)c3ccccc23)c1C#N 7462424 WINUPIYUBSFXME-UHFFFAOYSA-N 379.485 4.183 30 50 GIEA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 20606249 OUNLLZKXHUCYEX-NEPJUHHUSA-N 385.445 4.059 30 50 GIEA O=S(=O)(/N=C1/CCCCN1CCc1ccccc1)c1ccc(Cl)cc1 39627053 VJHXSSVOCOBVMI-VZCXRCSSSA-N 376.909 4.156 30 50 GIEA in-vitro CC(C)(C)OC(=O)N1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 200144661 NZBKJFBLYWAWFR-UHFFFAOYSA-N 385.313 4.010 30 50 GIEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 4005490 JMKJZHKMDUEINT-VXNXHJTFSA-N 377.484 4.394 30 50 GIEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 5445711 AMGLKJYCDXDPHG-OAQYLSRUSA-N 385.419 4.478 30 50 GIEA C[C@@H](c1cccnc1)N(CC1CCOCC1)c1nc(C(F)(F)F)ccc1C#N 225751834 QNLNKEWGBLAPSY-AWEZNQCLSA-N 390.409 4.361 30 50 GIEA COc1cc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc(OC)c1OC 1192067 AEBKDUNSXIIZOG-UHFFFAOYSA-N 388.427 4.437 30 50 GIEA C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 12342686 SVYWRBMLVFUOBL-OQLLNIDSSA-N 388.788 4.178 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccncc1 19761110 UIMHKPLZMQTIFC-AVRDEDQJSA-N 388.467 4.006 30 50 GIEA COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1O 626229 LJJNZMGSLJFEBM-UHFFFAOYSA-N 395.499 4.374 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 2113781 MHEVBUWRBHZQBI-QGZVFWFLSA-N 392.440 4.018 30 50 GIEA C=CCn1c(SCc2nccn2CC(F)(F)F)nnc1-c1ccccc1C 488930201 KXOBJMQAVVQCIJ-UHFFFAOYSA-N 393.438 4.491 30 50 GIEA C#Cc1cccc(NC(=S)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)c1 1875264139 SNZYNMDGVDAWPL-IBGZPJMESA-N 380.904 4.094 30 50 GIEA CC1(C)OB(c2ccc(C3(c4ccc(Cl)cc4)CCNCC3)cc2)OC1(C)C 202256517 GJUCYUSBYRIQMF-UHFFFAOYSA-N 397.755 4.309 30 50 GIEA C=CCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)SC1=S 12343655 VBPMICJZCIBTOD-BJMVGYQFSA-N 390.711 4.195 30 50 GIEA O=C(O)c1cc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl 13154414 OWKUHKATGLRDHZ-AWQFTUOYSA-N 386.751 4.047 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 257357758 PTARAGMFTGDAST-OFYVVLSASA-N 390.520 4.024 30 50 GIEA N#CCCN(C(=O)CCC(=O)N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 863640358 OPEXTOGXFSPSBI-HXUWFJFHSA-N 395.890 4.171 30 50 GIEA N/C(=N\OC(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 4986321 PCBMOQZMOYNCTG-UHFFFAOYSA-N 388.048 4.233 30 50 GIEA Brc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 4610693 QJJJUSRFDUHHRR-LSHDLFTRSA-N 393.248 4.024 30 50 GIEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl 4685128 ZCLPRURFQJWCRX-UHFFFAOYSA-N 387.650 4.327 30 50 GIEA C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 5214331 UEFSTJZORAACHQ-CNPYVQQSSA-N 375.856 4.033 30 50 GIEA Cc1ccc2c(c1)nc(C/N=C(/O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)n2C 328725026 YXBNKJIJDRMPHL-LJQANCHMSA-N 394.523 4.253 30 50 GIEA COc1cccc(S(=O)(=O)c2oc(-c3cccc4ccccc34)nc2C#N)c1 334162755 QYVBMFYOEOPUHP-UHFFFAOYSA-N 390.420 4.208 30 50 GIEA C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 2684829 AHLIXBAZDKRUQV-UHFFFAOYSA-N 386.458 4.076 30 50 GIEA C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 2859492 OHJWVSFIZIQJRB-UHFFFAOYSA-N 380.429 4.014 30 50 GIEA C=CCOc1c(Br)cc(CNc2ccc(C(=O)O)cc2)cc1OC 2860627 ZEFBWXFNXCQMCE-UHFFFAOYSA-N 392.249 4.333 30 50 GIEA O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccc([N+](=O)[O-])cc1 5738548 JIUSGRPVPBMBLJ-UHFFFAOYSA-N 396.426 4.494 30 50 GIEA C=CCn1c(SCC(=O)N(c2ccncc2)C(C)C)nnc1-c1ccccc1 6832674 ZJVXLMPSCZRUNG-UHFFFAOYSA-N 393.516 4.060 30 50 GIEA O=C(O)CCCOc1ccc(C(=O)/C=C/c2cccc(-n3cccn3)c2)cc1 760263511 ODUOQYLVJFYOSA-KPKJPENVSA-N 376.412 4.012 30 50 GIEA O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)s1 1070061 GHKABHKBAYRMDE-GIDUJCDVSA-N 375.262 4.284 30 50 GIEA CCNC(=S)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2391537 UPCUPRJNVMHUHR-UFFVCSGVSA-N 396.299 4.031 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C#N)cc1 2730209 DQAASANCZGVMLL-JKSUJKDBSA-N 398.484 4.433 30 50 GIEA CC(C)c1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N 1467929 CVSORMLGCIIPHO-UHFFFAOYSA-N 396.498 4.204 30 50 GIEA Oc1ccccc1/C=N\CCN(CC/N=C/c1ccccc1O)c1ccccc1 17354238 KRFPKOOMJXCUCZ-BCRMPINCSA-N 387.483 4.142 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1 170615360 WZGTXRLXEMMMBX-RBBKRZOGSA-N 380.440 4.023 30 50 GIEA O/C(=N/CCCO[C@H]1CCCCO1)C1(c2cccc(Br)c2)CC1 328590026 WNDRYRZLXOIIBZ-INIZCTEOSA-N 382.298 4.371 30 50 GIEA Cc1cc(C)n2ncc(C(O)=Nc3cc(F)c(F)cc3N3CCCCC3)c2n1 328596353 ILJMWGNEIRCTMC-UHFFFAOYSA-N 385.418 4.251 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)c(O)c1 5808297 RWXCBRUCUIZLIJ-FYJGNVAPSA-N 397.504 4.050 30 50 GIEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(O)c2)C(=O)C1 100004235 CLQHKWHMJDYBFU-LJQANCHMSA-N 384.472 4.251 30 50 GIEA N#Cc1ccc(NC(=O)[C@H](F)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1857777919 UPCZGAOOYAWRNP-FQEVSTJZSA-N 389.386 4.266 30 50 GIEA FC(F)(F)c1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1297670 RAOVEZYMQCZBST-UFFVCSGVSA-N 378.379 4.047 30 50 GIEA C=CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 2999021 MOLXDSOVTTWVHU-UHFFFAOYSA-N 380.440 4.388 30 50 GIEA C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 14980832 WRFYCNGMEWKIFL-SFHVURJKSA-N 375.428 4.000 30 50 GIEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Br)cc2)n1 622675 ZQQJSEDQUKNVLO-UHFFFAOYSA-N 376.279 4.063 30 50 GIEA C=CCn1c(NC(=O)/C=C/c2ccccc2)c(C#N)c2nc3ccccc3nc21 2277511 SEPGFBTYUNLRKO-OUKQBFOZSA-N 379.423 4.294 30 50 GIEA C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cnc(Cl)s1 253418945 CQRFUUCPLFBQHG-UHFFFAOYSA-N 376.787 4.310 30 50 GIEA CCOC(=O)[C@@](C)(/N=C(/O)Cc1coc2cc3c(cc12)CCC3)c1cccnc1 328594972 HDRAMEFSQLLEKR-QHCPKHFHSA-N 392.455 4.294 30 50 GIEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)c1 1506401415 DAZFZKDTJWSMLD-JOCHJYFZSA-N 391.511 4.142 30 50 GIEA Cc1ccccc1OC[C@@H]1Cc2c(nc(-n3cccc3)c(C#N)c2-n2cccc2)O1 1394220 CTJNAOFWUVELIQ-SFHVURJKSA-N 396.450 4.226 30 50 GIEA C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 2314963 XIBCAKJMMBOEHB-UHFFFAOYSA-N 394.525 4.252 30 50 GIEA N/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 4719637 LBSRCOYMOTUWHH-CQSZACIVSA-N 394.283 4.005 30 50 GIEA COc1ccc(/C=C/C(=O)c2ccnn2C)cc1COc1ccc(F)cc1F 6925469 KJMIEIDQLMXPQB-ZZXKWVIFSA-N 384.382 4.182 30 50 GIEA CC(C)(C)OC(=O)N1CCCc2ccc(CCCCN[C@H]3CC[C@@H](C#N)C3)nc21 2325801721 SZGFGDXENFBVFW-XLIONFOSSA-N 398.551 4.374 30 50 GIEA COc1cccc(C(=O)/C=C/Nc2ccc(I)cc2)c1 2325809515 DLLSZPOZUOXBCF-MDZDMXLPSA-N 379.197 4.108 30 50 GIEA C/C(=N\OCc1cccnc1)c1ccc(OCC(=O)Nc2ccccc2C)cc1 2325749947 MBYHNWFMRZSKTR-NLRVBDNBSA-N 389.455 4.348 30 50 GIEA C#CCOc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1 2814433 HSKCLDBBAMXPBN-SILNSSARSA-N 377.465 4.368 30 50 GIEA OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681787 HMGDEQANNRNNKX-UHFFFAOYSA-N 378.128 4.498 30 50 GIEA in-vitro CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 253532781 ARUYPSAYKHCXNE-CYSBGJSMSA-N 382.500 4.041 30 50 GIEA CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC 2229831 YZWUCSSBCZGUFM-UHFFFAOYSA-N 380.558 4.066 30 50 GIEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c(OC)c1 217654375 ATXGMHNIJYWIDZ-HNNXBMFYSA-N 380.396 4.014 30 50 GIEA biogenic C=CCSc1ccccc1NC(=O)CN[C@@H](C(=O)OC)c1c(C)cccc1C 225387786 NCPUPKMMQGBPOI-OAQYLSRUSA-N 398.528 4.024 30 50 GIEA C#CCCC1(CCC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)N=N1 2325892548 RLFRULNALYMVIH-HHHXNRCGSA-N 379.485 4.289 30 50 GIEA Cc1c(Cc2ccccc2)c(NCCN(C)C)n2c(nc3ccccc32)c1C#N 639657 DBRKXUIFNNVLRE-UHFFFAOYSA-N 383.499 4.232 30 50 GIEA C=CCN(Cc1ccncc1)Cc1ccc(-c2nc(C3CCC3)cc(=O)[nH]2)cc1 23232318 HQLLNHYXHJRIHZ-UHFFFAOYSA-N 386.499 4.288 30 50 GIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)n1 6813374 FUDBLPJQNFDYPI-GOSISDBHSA-N 394.427 4.374 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)CC2)c(F)c1 72479217 NVWSKFKVPHAJCD-UHFFFAOYSA-N 390.462 4.423 30 50 GIEA C[C@H](N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105258573 VQRLBWJYBZGWPM-VKRLORBYSA-N 382.529 4.236 30 50 GIEA Cc1ccccc1OC[C@H]1Cc2c(nc(-n3cccc3)c(C#N)c2-n2cccc2)O1 1394219 CTJNAOFWUVELIQ-GOSISDBHSA-N 396.450 4.226 30 50 GIEA CC(C)=C1Oc2c(ccc3c2[C@H](c2coc4ccccc4c2=O)CC(=O)O3)C1=O 217626420 SXRPTQSQZCKQQH-AWEZNQCLSA-N 388.375 4.103 30 50 GIEA biogenic Cc1ccc(C#N)cc1N=C(O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328603630 GTPFENCGVFXNHA-RBBKRZOGSA-N 386.455 4.477 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc21 20604632 GNZGDATVXLYGBB-UHFFFAOYSA-N 381.354 4.465 30 50 GIEA CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC 98209456 WCYMJQXRLIDSAQ-UHFFFAOYSA-N 380.481 4.361 30 50 GIEA in-vitro N#Cc1ccccc1CS(=O)(=O)c1oc(-c2cccc3ccccc23)nc1C#N 170623861 OLIPRKPXFKGGHU-UHFFFAOYSA-N 399.431 4.212 30 50 GIEA N#Cc1cccc(C2(NC(=O)[C@@H]3CCn4c(cnc4C4CCCCC4)C3)CC2)c1 369845155 IFOXUTKTTHOMPA-LJQANCHMSA-N 388.515 4.170 30 50 GIEA CCCn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cn1 390834810 BYTXXMXCBGITSN-HWKANZROSA-N 387.233 4.058 30 50 GIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@]21C 36382822 ONKUMRGIYFNPJW-RDLBHHLTSA-N 384.516 4.426 30 50 GIEA biogenic,in-vitro CCOc1cc(C#N)c(NC(=O)COc2ccc(Cl)c(C)c2)cc1OCC 4653303 LDVADBVMPNMIER-UHFFFAOYSA-N 388.851 4.335 30 50 GIEA Cc1cccc(/C(N)=N/OC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 5059797 PCUGKQMENFTNCN-UHFFFAOYSA-N 387.650 4.198 30 50 GIEA CC[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C)s3)c2C#N)C1 6489406 LQGYACDDTLBGNI-SNVBAGLBSA-N 378.548 4.025 30 50 GIEA O/C(=N/C1CCC(F)(F)CC1)c1cnnn1-c1c(Cl)cccc1Cl 330105678 JTULCRMBPSKHOX-UHFFFAOYSA-N 375.206 4.457 30 50 GIEA COc1ccc(C(=O)OCC#CCSc2nnc(-c3ccc(C)cc3)o2)cc1 2815555 CXTLISFVQBKJKB-UHFFFAOYSA-N 394.452 4.006 30 50 GIEA C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 2858503 KVDKKGBKJMCJBY-OAHLLOKOSA-N 396.491 4.387 30 50 GIEA CN(C)c1ccc(NC2=CC(=O)c3ccccc3C2=O)c(N2CCCCC2)c1 6910955 YNJAHRPWOASKLZ-UHFFFAOYSA-N 375.472 4.118 30 50 GIEA CCCCn1cc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccccc3n2)cn1 19720866 MJTYXCLOESXVEU-UHFFFAOYSA-N 387.487 4.274 30 50 GIEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C\c1ccc(Br)cc1 104224219 BWHYCVOLLVTQTB-DUQUIBLKSA-N 385.261 4.134 30 50 GIEA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 170642826 QOWJBSBIUPSFNO-ORAYPTAESA-N 382.485 4.446 30 50 GIEA C[C@@H]1CCc2cc(C#N)c(NCc3ccc(N(C)C(=O)c4ccncc4)cc3)nc21 1875275414 OSWCEBNPCBSEDX-MRXNPFEDSA-N 397.482 4.287 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1Cl 7720327 NPTIXXYCXYWEMU-UHFFFAOYSA-N 383.835 4.227 30 50 GIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)CSc1ccccc1 7759461 HYFYWYJSBJYPRS-UHFFFAOYSA-N 379.485 4.352 30 50 GIEA Clc1ccccc1CN1CCN(/N=C/c2ccccc2Br)CC1 19790557 FLTQNBFKEVWGHR-FYJGNVAPSA-N 392.728 4.254 30 50 GIEA C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1875266599 FKEVQFYMXZDTQG-JQHSSLGASA-N 388.471 4.044 30 50 GIEA Sc1nnc(COc2ccccc2)n1/N=C/c1cccc(Cl)c1Cl 1475891 QQOSXFAHSREJCN-DJKKODMXSA-N 379.272 4.335 30 50 GIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)cc2)C1=O 4460013 KFTCOVFKMYIYLR-LGMDPLHJSA-N 381.453 4.239 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 100562973 WKCXLGWPYOLQHG-OAQYLSRUSA-N 396.531 4.310 30 50 GIEA CC1(C)OB(c2ccc(COc3ccccc3Br)cc2)OC1(C)C 310642235 UIUFZPVGGXLMHN-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2c1cccnc1 18249490 FFJPIRYWLDGSOO-SFHVURJKSA-N 386.455 4.174 30 50 GIEA FC(F)(F)CO[C@](F)(Br)[C@](F)(Br)C(F)(F)F 95676702 VUXWJSADJYWRST-DMTCNVIQSA-N 389.862 4.207 30 50 GIEA N#C[C@H](C(N)=O)[C@@H](SCc1ccccc1)c1ccc(Br)cc1 23549806 VIXPFPDPFIOCJJ-HOTGVXAUSA-N 375.291 4.049 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(C)(=O)=O 4811268 ZZCXMAGIMWOCLT-UHFFFAOYSA-N 386.517 4.323 30 50 GIEA O=C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 136692874 LRWIIEJPCFNNCZ-UHFFFAOYSA-N 378.084 4.200 30 50 GIEA in-vitro C[C@H](CO)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 225606941 DJCOHSGBTJBDRN-BMIGLBTASA-N 380.673 4.151 30 50 GIEA CC(C)(CN1CCCC1)NC(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1 426504652 VECIZPKFMJJJHV-UHFFFAOYSA-N 381.907 4.483 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1cccc(OC)c1 1080299 VIMAFEYDMIJIGA-PZJWPPBQSA-N 383.419 4.066 30 50 GIEA N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4ccco4)s3)CC2)cc1 1875262669 WKOJBIRBDHNQCK-UHFFFAOYSA-N 377.469 4.279 30 50 GIEA Cc1ccc(CN2CCN(/N=C/c3ccccc3Br)CC2)c(C)c1 19791188 KVAKOWLLYFGQFQ-HYARGMPZSA-N 386.337 4.218 30 50 GIEA Cc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)c(C)c1 244748755 ONUQMGYSJRPUOY-UHFFFAOYSA-N 386.337 4.218 30 50 GIEA C=CCOc1ccccc1CN1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 15063151 UAMLVUTYGZEOPA-QHCPKHFHSA-N 387.470 4.347 30 50 GIEA COc1cc2c(cc1OC)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 597028 LPMOTUSFDTTWJL-UDWIEESQSA-N 377.484 4.281 30 50 GIEA in-vitro CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 2055493 VDLSHUFCQCLSKO-NRFANRHFSA-N 399.487 4.015 30 50 GIEA CC(C)(C)Nc1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2F)n1 4199538 RJKRQQWOVOYMSN-ZVHZXABRSA-N 393.470 4.279 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 17995496 LLMKRXJFZYQGSU-SFHVURJKSA-N 398.459 4.152 30 50 GIEA CC1(C)OB(c2cc(OCc3cccnc3)c(Cl)cc2Cl)OC1(C)C 169951881 FVHJBIGNZDKEHX-UHFFFAOYSA-N 380.080 4.267 30 50 GIEA Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(Br)cc1 5450575 TVXTUTILGVWIOH-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 8860500 DUYSYHSSBDVJSM-KRWOKUGFSA-N 379.478 4.041 30 50 GIEA endogenous,in-man CC(=O)O[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@@H]1CC3 257350044 UHDRFSPZQJHGCE-JIVKCINCSA-N 388.504 4.136 30 50 GIEA FC(F)(F)c1cc(N/N=C2/CC[C@@H]3[C@@H](C2)C3(F)F)nc(-c2cccnc2)n1 2325770995 JHSIVUGJXFVLQY-GROLRZADSA-N 383.324 4.391 30 50 GIEA CCOC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 796129 DCDCELLMSARZJR-UHFFFAOYSA-N 396.390 4.303 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccs1 2366784 MZGOEVAVHAMZPL-UHFFFAOYSA-N 384.530 4.486 30 50 GIEA O=C(C[C@H]1S/C(=N\N=C\C=C\c2ccccc2)N=C1O)Nc1ccccc1F 2956225 MZGKBRRYWITUBJ-IKKBCQNFSA-N 396.447 4.281 30 50 GIEA Cc1ccc(C[C@@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 13583181 UNECMZKCHQMYMT-HNNXBMFYSA-N 375.291 4.219 30 50 GIEA CC(C)(O)CCc1cccc(C(=O)N2CCC(c3cccc(C#N)c3)CC2)c1 72479534 DHNJMAXTELXROA-UHFFFAOYSA-N 376.500 4.282 30 50 GIEA N#Cc1nc(C2CCC2)oc1N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 2050024925 IJNRKWDBVAOFET-UHFFFAOYSA-N 393.422 4.387 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)c1 4916354 FDUMTOBNHJXEAS-LPHOPBHVSA-N 391.467 4.017 30 50 GIEA Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19534970 PFKYHAWYPZYUIN-UHFFFAOYSA-N 390.493 4.419 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/Cc1cscn1 328603966 HWPVAQLPGZNLEF-HKUYNNGSSA-N 382.489 4.180 30 50 GIEA CCc1cc(N2CCC(/N=C(/O)N[C@@H]3CCCCC34CCCC4)CC2)ncn1 329638082 VZPNXXRJKKXGEK-LJQANCHMSA-N 385.556 4.014 30 50 GIEA COc1ccc(-c2cc(NC=C(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1 826032 VVSYFUIWHWYNDJ-UHFFFAOYSA-N 375.428 4.022 30 50 GIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)c(OC)c1 2801331 SLWHBWPEIAHTMP-OAQYLSRUSA-N 399.487 4.015 30 50 GIEA COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@@H]2C(C)=O)cc1 13387761 VVHLLIDVSGDNCN-SMIHKQSGSA-N 393.483 4.094 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C)cc1 225506955 JOFWFVCZYOQVJA-PZJWPPBQSA-N 379.412 4.223 30 50 GIEA CC(C)(O)C#Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 2983479 DHQXGGNXWBNWFG-UHFFFAOYSA-N 383.491 4.371 30 50 GIEA C=CCn1c(CN(C)C/C(C)=C/c2ccccc2)nnc1SC[C@H]1CCCO1 12331248 FEQAGQKCTNPSME-WORNYLJVSA-N 398.576 4.271 30 50 GIEA COc1ccc(N/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 12378358 ZLBPNYQAXYKIIV-UHFFFAOYSA-N 380.469 4.251 30 50 GIEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)cc1 17077889 HSWPXAXWKUKCRX-IDJNSLICSA-N 380.897 4.262 30 50 GIEA Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1c(F)cccc1Cl 20291928 OLVYLCITEQCBHU-QMMMGPOBSA-N 386.839 4.325 30 50 GIEA CCOC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 39326760 FPAYMMBGZTYNSI-JYFOCSDGSA-N 383.394 4.473 30 50 GIEA CC(C)(O)C#Cc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCCC2)s1 65387357 OGCXQAMYCSSHPW-INIZCTEOSA-N 383.517 4.046 30 50 GIEA COc1ccc2cc([C@@H]3CN(C(=O)c4cc(F)cc(C#N)c4)CCO3)ccc2c1 71576042 JOZRZMMSACYOKW-QFIPXVFZSA-N 390.414 4.073 30 50 GIEA Cc1ccc2nc([C@@H](NC3CCN(c4cc(C#N)ccn4)CC3)C(C)C)[nH]c2c1 95520539 DDZSARQFDHRSFK-QFIPXVFZSA-N 388.519 4.094 30 50 GIEA COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cccn2C)C3=O)c1 218060826 ZFOPFIYVYBRRJI-MTJSOVHGSA-N 389.407 4.007 30 50 GIEA biogenic CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3Cl)C[C@@H]21 252527841 DMEYGMPQWUWJKV-YLQAJVPDSA-N 393.890 4.086 30 50 GIEA C[C@H](CSc1ccc(F)cc1)C(O)=Nc1cccc(N=C(O)NN(C)C)c1 328595965 LZKVHINGFFXXFX-CYBMUJFWSA-N 390.484 4.454 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1F 6459200 YSAUUYGEZQCEEU-HXUWFJFHSA-N 397.446 4.057 30 50 GIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)s1 12094431 WMUAWBJEBZXFJG-XMMPIXPASA-N 397.584 4.078 30 50 GIEA N#Cc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)cc1 95503544 CBFUFTOVCCCSDF-UHFFFAOYSA-N 393.918 4.226 30 50 GIEA CC1(C)OB(c2ccc(COc3ccc(Br)cc3)cc2)OC1(C)C 385107501 ONPCZFWQFVANAV-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA C#CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 2998091 ABWUHVYTQLAECP-UHFFFAOYSA-N 382.843 4.480 30 50 GIEA CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 4005488 JMKJZHKMDUEINT-HJOGWXRNSA-N 377.484 4.394 30 50 GIEA CCN(C(=O)C#Cc1ccccc1Cl)[C@H](C)c1ccc2c(c1)OCCCO2 2325827572 KFUGKFFSSZOHRO-MRXNPFEDSA-N 383.875 4.463 30 50 GIEA C#CCN(C(=O)c1csc2nc(-c3ccccc3OC)cn12)C1CCCCC1 11820142 XFFMPSLRUBUSJP-UHFFFAOYSA-N 393.512 4.480 30 50 GIEA C=CCN(Cc1cccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccco1 23478522 GGMMXYGFFNTACF-OAQYLSRUSA-N 391.471 4.070 30 50 GIEA N#Cc1cc2c(nc1S[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)CCCC2 225498564 SDFJPJFJOHFLKX-LJQANCHMSA-N 381.476 4.083 30 50 GIEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccsc1 2754507 XYOJOPIZDZSDRO-QGZVFWFLSA-N 377.531 4.012 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc(C)c1 2849301 RSNOALLFQLOKOG-UHFFFAOYSA-N 378.501 4.479 30 50 GIEA Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 2981280 JJVKFMXJGCYRKO-OEAKJJBVSA-N 384.395 4.162 30 50 GIEA CC(C)c1ccc(OCC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1 4819736 BXTKZZMTYQWALW-UHFFFAOYSA-N 376.456 4.400 30 50 GIEA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1 14969828 JPLCSPWCKWVUMP-HXUWFJFHSA-N 381.541 4.274 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4ccnn4-c4ccc(F)cc4)C[C@@H]2C3)OC1(C)C 1875368755 NYYLJEMFVNVYOR-KSFYIVLOSA-N 397.303 4.070 30 50 GIEA Cc1csc([C@H](C#N)C(=O)C[C@@H]2Cc3ccc(Br)cc3C2)n1 2325794502 DRHQHUCSFZQMMU-IAQYHMDHSA-N 375.291 4.195 30 50 GIEA C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 1118227 RBNXZWXZKXJBDW-UHFFFAOYSA-N 392.528 4.348 30 50 GIEA C=CCc1cccc2cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c(=O)oc12 2998244 RJJWQFGIMTWMMH-OAHLLOKOSA-N 376.408 4.258 30 50 GIEA biogenic N#Cc1cc(F)c(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 129350618 OXXHIWJCQRIKGH-INIZCTEOSA-N 378.325 4.245 30 50 GIEA CN(C)CCO/N=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257358568 VDVFPECJIDUPKS-ISPPVKPYSA-N 376.585 4.324 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cccc(F)c1C#N)CC2 275837108 VRIRRHANOBVGHW-HXUWFJFHSA-N 383.492 4.166 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnc(-c5ccncc5)s4)C[C@@H]2C3)OC1(C)C 1776003049 SITAYYXEQACQDL-HRAATJIYSA-N 397.353 4.263 30 50 GIEA N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 12524214 JXXIPFXSLCWZLE-BHDDXSALSA-N 383.426 4.206 30 50 GIEA C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 13881655 PNMFINJVDPWSAX-RGEXLXHISA-N 379.437 4.338 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2sc(CC)cc2c1=O 909621 QLVHBFCMSCXAME-UHFFFAOYSA-N 388.489 4.321 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(C)o1 4756055 PEYWGERIGNJILG-UZUQRXQVSA-N 391.467 4.431 30 50 GIEA O=C1N/C(=N/N=C\c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccccc1 16662205 JPKLBERGUZDEHT-HBEGMLAUSA-N 375.453 4.111 30 50 GIEA COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 18116483 RMOCVIDOFRGKJJ-NRFANRHFSA-N 380.444 4.069 30 50 GIEA O/C(=N/C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1OC1CCCCC1 328718485 VCDWFOZWDGLBCX-UWJYYQICSA-N 387.520 4.270 30 50 GIEA CC(C)Oc1cccc(CC(=O)N2CC[C@]3(B4OC(C)(C)C(C)(C)O4)C[C@H]3C2)c1 1776003056 SSQXJFPPBKUTMN-MBSDFSHPSA-N 399.340 4.101 30 50 GIEA Cc1ccc(S(=O)(=O)Nc2cccc(Oc3nc(C)cc(C)c3C#N)c2)cc1 1080271 YMBFHHCJVITIQM-UHFFFAOYSA-N 393.468 4.472 30 50 GIEA COc1ccc2cc([C@H]3CN(C(=O)c4cc(F)cc(C#N)c4)CCO3)ccc2c1 71576044 JOZRZMMSACYOKW-JOCHJYFZSA-N 390.414 4.073 30 50 GIEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 100557253 SDLCLJYAVNBLEA-LAUBAEHRSA-N 395.499 4.013 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1181879 BOQIDTZDXVUNQF-MRXNPFEDSA-N 390.208 4.077 30 50 GIEA CCCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 100182383 WMOJWDXYYXNDCL-FBMGVBCBSA-N 382.279 4.011 30 50 GIEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C[n+]1ccccc1 238900519 JCXKLDMPWBYJSG-WRRVINCMSA-N 394.579 4.483 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)cc(OC)c1 241338538 MBNFAKWBDNWBIJ-GGAORHGYSA-N 394.467 4.332 30 50 GIEA Cc1c(C(O)=Nc2ccc(N3CCCC3=O)cc2)[nH]c2c1C(=O)CC(C)(C)C2 328885046 OEJGPZZXADJQJC-UHFFFAOYSA-N 379.460 4.241 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1cccc(F)c1 253430032 VIULFGUCPJRUQF-UGKGYDQZSA-N 398.430 4.162 30 50 GIEA N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCCC2 779455 CEHZPXULSNRIGE-STQMWFEESA-N 378.881 4.061 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(C)cc1 2886926 SVARXLWOGBQWTC-UHFFFAOYSA-N 379.485 4.423 30 50 GIEA CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 19859118 CZPLKXJHMNVQRJ-NDENLUEZSA-N 378.472 4.061 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1 170615363 WZGTXRLXEMMMBX-IRLDBZIGSA-N 380.440 4.023 30 50 GIEA COc1ccccc1N1CC[C@@H](CNc2cccc(Br)c2C#N)C1 225493156 XTUICTASVWBGCL-AWEZNQCLSA-N 386.293 4.268 30 50 GIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@@H]3CC[C@]21C 263617572 ONKUMRGIYFNPJW-IFEHDUAFSA-N 384.516 4.426 30 50 GIEA in-vitro OC1=Nc2cc(C(O)=Nc3ccc4c(c3)OC3(CCCCC3)O4)cnc2OC1 329125918 TXOYGOLDGHRBPR-UHFFFAOYSA-N 381.388 4.130 30 50 GIEA COc1ccc(-c2cc(-c3ccccc3)nc3sc(/C(N)=N/C#N)c(N)c23)cc1 4719098 MMYZPMITKARJIV-UHFFFAOYSA-N 399.479 4.407 30 50 GIEA CN(C)c1ccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 239174169 PKJCSGIWHUQQBX-UHFFFAOYSA-N 379.533 4.480 30 50 GIEA CSc1nnc(C/N=C(/O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)s1 328606154 QPBJPEYYCFUCKI-DNVCBOLYSA-N 388.562 4.019 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 719301 SERARALDUWHHHT-CRAIPNDOSA-N 389.245 4.361 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@@H]1c1cccc(OC)c1 1080296 VIMAFEYDMIJIGA-CTNGQTDRSA-N 383.419 4.066 30 50 GIEA CC(=O)/N=C(/Nc1ccc(Oc2ccccc2)cc1)Nc1nc(C)cc(C)n1 13512323 ZOLQEYVOSLQREU-UHFFFAOYSA-N 375.432 4.312 30 50 GIEA COc1ccccc1Nc1ncc(CN2CCc3c(cnc(C)c3C#N)C2)s1 23251710 OUFYZGUMZHKNRT-UHFFFAOYSA-N 391.500 4.029 30 50 GIEA COc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)c(OC)c1OC 33790655 NMMQLHIYFGBPHO-UHFFFAOYSA-N 375.428 4.204 30 50 GIEA COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6819480 XKSUDNDLYJLNQU-YOEHRIQHSA-N 381.859 4.353 30 50 GIEA Fc1ccc(-c2nnc(S)n2/N=C/c2ccc(Br)cc2)cc1 9331562 NTGXELXAONSJEG-GIJQJNRQSA-N 377.242 4.018 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccc(OC)cc12 245226220 KWCBVDIPTCNUQC-WPIVQRKMSA-N 392.499 4.134 30 50 GIEA C[C@@H](OC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1cccc(C#N)c1 756539320 ZFOSEYVNHDGLKW-CYBMUJFWSA-N 396.244 4.424 30 50 GIEA C#CCCC1(CCC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)N=N1 1875381661 CITIPZSPVOLHNJ-UHFFFAOYSA-N 377.326 4.050 30 50 GIEA CC(C)Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N 19802636 BFAPLRVNIUWDOD-UHFFFAOYSA-N 384.892 4.234 30 50 GIEA C=CCC1(OC)CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 82121031 XBZIZNQTTLBJOA-UHFFFAOYSA-N 375.472 4.199 30 50 GIEA Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)n(Cc2ccco2)c1C 239309695 HTOCIVCNPWYJSK-OALUTQOASA-N 394.519 4.069 30 50 GIEA Cc1c(-c2cc(-c3ccc(F)cc3C(F)(F)F)nc(N)c2C#N)cnn1C 71439917 JBFJLYYXMVPMSP-UHFFFAOYSA-N 375.329 4.069 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118921946 AKMGOLMVBIBATQ-IARUFTJTSA-N 382.548 4.386 30 50 GIEA C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1cccnc1 4736740 HFRWKYDRZDIRHQ-UHFFFAOYSA-N 389.484 4.291 30 50 GIEA C=CCn1c(CN(C)Cc2ccccc2O)nnc1SCc1cccc(F)c1 14882072 SIPNLUNULZOKBE-UHFFFAOYSA-N 398.507 4.233 30 50 GIEA C=C[C@H](C)CC(=O)N1CCCC[C@@H]1c1cn(-c2ccc3sc(C)nc3c2)nn1 1875337652 CEUCUICGBDQFST-IFXJQAMLSA-N 395.532 4.451 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C)o1 781143 BXHYNXULWASURE-XCLFUZPHSA-N 383.469 4.184 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)cc1 2794878 RZEIRNPXDMZOMK-HZPDHXFCSA-N 396.468 4.209 30 50 GIEA O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 4986910 CJTBJENOFPITGG-ZFWWWQNUSA-N 395.842 4.073 30 50 GIEA COc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)cc1C 287315765 WABRLIHSOFMTKU-UHFFFAOYSA-N 397.450 4.398 30 50 GIEA C=CCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 2870429 WAXNJGMKOFUWLO-UHFFFAOYSA-N 392.883 4.267 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1cccc(Cl)c1 6222235 PHNSNVNCVAXHHV-IXJMWADBSA-N 378.284 4.158 30 50 GIEA FC(F)(F)CO[C@](F)(Br)[C@@](F)(Br)C(F)(F)F 95676698 VUXWJSADJYWRST-IMJSIDKUSA-N 389.862 4.207 30 50 GIEA COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1O 239159627 MMUSBKLJSQKWOY-UHFFFAOYSA-N 395.271 4.137 30 50 GIEA CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1CC(C)(C)CC2=O 1422741 KJVBYIDBJQFERN-LBPRGKRZSA-N 381.303 4.429 30 50 GIEA C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccn1 2370686 FTUWVCHZRQESST-UHFFFAOYSA-N 399.907 4.219 30 50 GIEA CN(C)c1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 5090762 OZBWMKUXDHFFFT-LFYBBSHMSA-N 377.225 4.253 30 50 GIEA CCOC(=O)C1(CCc2ccccc2)CCN(CC#Cc2ccccc2)CC1 12594174 QNZASXBBNXPNDP-UHFFFAOYSA-N 375.512 4.316 30 50 GIEA C=CCC(O)(CC=C)[C@H](C)Nc1nncc(-c2cccc(C(F)(F)F)c2)n1 12758858 GYLBXWJFLPZUSH-ZDUSSCGKSA-N 378.398 4.241 30 50 GIEA C=CCn1c(=O)c(CN(C)[C@H](C)c2c(C)nn(C)c2C)cc2cc(C)ccc21 14983016 NOJXTFSMABFLNT-QGZVFWFLSA-N 378.520 4.039 30 50 GIEA Cc1ccc(N2C(=O)CS/C2=N/C(=O)c2ccc(Br)cc2)cc1 100728565 INMPWYSCPZJUTM-HTXNQAPBSA-N 389.274 4.034 30 50 GIEA O=S1(=O)CCC2(CC1)C[C@H]2C(O)=Nc1cc(Cl)ccc1OCC1CCC1 328890796 RXJOHRAAJLYIQE-HNNXBMFYSA-N 397.924 4.322 30 50 GIEA C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C 3876023 ONKUMRGIYFNPJW-KIEAKMPYSA-N 384.516 4.426 30 50 GIEA fda COc1cccc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)c1OC 4891373 NGCAKPNMRGMDNO-OUKQBFOZSA-N 375.428 4.048 30 50 GIEA C=CCC1(CC=C)CCCN1Cc1nc(Cc2ccc(OC)c(OC)c2)no1 12196203 NYHLJJFUGUFUTH-UHFFFAOYSA-N 383.492 4.164 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4ccc(OC(F)F)c(F)c4)C[C@@H]2C3)OC1(C)C 1776003079 UKXWUJNAQWMSBE-XOBRGWDASA-N 397.246 4.485 30 50 GIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 14988240 DRFUFQNADUEITN-MZLICYQSSA-N 396.531 4.319 30 50 GIEA C=CCc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 20482139 AZNUGNMQZYJDID-UHFFFAOYSA-N 380.532 4.010 30 50 GIEA OCC#Cc1csc(-c2c(-c3ccccc3)ncn2Cc2ccc(O)cc2)c1 65500841 DAUBRXBGSQGIJJ-UHFFFAOYSA-N 386.476 4.376 30 50 GIEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC 217791923 YLVVLJRXOPHDMR-AWEZNQCLSA-N 380.396 4.014 30 50 GIEA biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 13285526 PACKCFRWFIXBPJ-INIZCTEOSA-N 396.306 4.042 30 50 GIEA CC(C)=NOc1nc(N)nc(Nc2ccccc2SCCC(F)(F)F)n1 22016322 WSUBNSYTELOGRV-UHFFFAOYSA-N 386.403 4.017 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnc(-c5ccccn5)s4)C[C@@H]2C3)OC1(C)C 1776002730 AENWDBGASTXHIN-YCRPNKLZSA-N 397.353 4.263 30 50 GIEA CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1O 644092 OKXVTYXMGOFJFT-UHFFFAOYSA-N 382.456 4.498 30 50 GIEA C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1 2825630 UYLOSNRXLJAGQX-KYAFNBKBSA-N 393.512 4.450 30 50 GIEA C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 4841823 GXLFPNZCKDELGX-CYBMUJFWSA-N 385.518 4.015 30 50 GIEA O=C(/C=C\Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 4905330 OTTBDLOIBJXZJJ-PFONDFGASA-N 396.443 4.435 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1 8564781 YOTXNOWTUOGBOU-MRXNPFEDSA-N 384.844 4.439 30 50 GIEA C=CCc1cc([C@@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OC(C)C 65455005 GKOCPMBCASZVLC-SFHVURJKSA-N 375.472 4.002 30 50 GIEA C[C@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1ccccc1-n1cccn1 827801671 ZBPCUKHECOZQGR-KRWDZBQOSA-N 385.467 4.256 30 50 GIEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 5578609 UAAUVEPGSUKWNF-JOCHJYFZSA-N 399.446 4.474 30 50 GIEA COC(=O)c1sc(NC(=O)C#Cc2ccccc2)c2c1-c1ccccc1CC2 8205559 AKAYJDRLCQDJHZ-UHFFFAOYSA-N 387.460 4.291 30 50 GIEA COc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCCCC3)cc1 13510315 QBCBXGNZPXWAHB-UHFFFAOYSA-N 391.491 4.069 30 50 GIEA CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cc(Cl)ccc1C#N 151695506 VCDLQSFWYSDAGK-UHFFFAOYSA-N 389.842 4.485 30 50 GIEA COc1cc(/C=C2\Oc3c(Cl)cc(Cl)cc3C2=O)cc([N+](=O)[O-])c1O 299738186 HRHXVXSNSHDNNZ-PQMHYQBVSA-N 382.155 4.232 30 50 GIEA Cc1c(Cl)ccc2c(O)c(B3OC(C)(C)C(C)(C)O3)c(C(F)(F)F)nc12 170004832 HKEOSSDROXRYEB-UHFFFAOYSA-N 387.594 4.220 30 50 GIEA CCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1Cl 1068796 OMYWKMUYGNHOSA-UHFFFAOYSA-N 393.921 4.416 30 50 GIEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(O)c(O)c1 19461102 YUOJGHZSNWJZJN-FPOVZHCZSA-N 387.435 4.140 30 50 GIEA C=C(C)CNC(=S)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 20472475 DMPPSCLGQFWUKA-OAQYLSRUSA-N 399.991 4.498 30 50 GIEA CC1(C)Cc2c(sc(N(C(=O)c3ccco3)C(=O)c3ccco3)c2C#N)CO1 752942 YHCJFJOFEAAAHS-UHFFFAOYSA-N 396.424 4.144 30 50 GIEA C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccnc1 1070483 ZCZCGCZDGNSKNO-UHFFFAOYSA-N 393.516 4.182 30 50 GIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4914446 BLFRDMHUCWXCLL-CRAIPNDOSA-N 379.431 4.229 30 50 GIEA COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc2c(c1)OCO2 252460130 BXNFOBNRWXOKDB-LBPRGKRZSA-N 378.428 4.177 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1cccs1 1128357 YGCQVXSDMKNTDS-QGZVFWFLSA-N 383.400 4.259 30 50 GIEA O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253412014 PQGNMSJWRATLBF-ISRVBRPNSA-N 384.387 4.449 30 50 GIEA biogenic O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 4986909 CJTBJENOFPITGG-HIFRSBDPSA-N 395.842 4.073 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccs1 225510915 OLCASSOXVDMHGR-OXJNMPFZSA-N 386.469 4.085 30 50 GIEA COc1ccc(C=NNc2ccccc2C)cc1CN1C(=O)c2ccccc2C1=O 252679656 PTJXVAAELUXHPU-UHFFFAOYSA-N 399.450 4.246 30 50 GIEA C=CCC1(C(=O)NC[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 1875268653 BUUYZXXQVCAQCR-KRWDZBQOSA-N 376.541 4.276 30 50 GIEA COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1O 780224 ZUCVSJIMWPGWLR-UHFFFAOYSA-N 387.863 4.097 30 50 GIEA N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)c1 153991276 MUZJXEKLIJCTDB-UHFFFAOYSA-N 387.443 4.485 30 50 GIEA C[C@H](/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)c1ccccn1 328608564 ZQAQYMXCYHMYLO-DKICVRJWSA-N 380.423 4.202 30 50 GIEA CCOc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)cc1OC 5959763 KUOVDBKNQPMESJ-RGVLZGJSSA-N 388.880 4.177 30 50 GIEA COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O 218110793 YMSGAENYXRCFBO-BCUAHEQISA-N 399.402 4.147 30 50 GIEA biogenic N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCOC3)C2)cc1Cl 296813520 YYTUROFTLOUVAA-SFHVURJKSA-N 381.863 4.250 30 50 GIEA COc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCCC2)cc1 1775976430 MEMBQBACRRAVJA-IBGZPJMESA-N 392.459 4.454 30 50 GIEA C=CC[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)c1ccccc1 2325819702 NGISMELEUHYVCF-VLCRHTCISA-N 376.500 4.072 30 50 GIEA C=CC[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1OC(=O)c1ccccc1 222405426 WZIUMQXJHVGCAZ-PZJWPPBQSA-N 379.456 4.447 30 50 GIEA CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 257356258 HBKNLOFNSJJGPD-SROJMKNBSA-N 385.548 4.439 30 50 GIEA CC(C)Oc1cccc(CC(=O)N2CC[C@]3(B4OC(C)(C)C(C)(C)O4)C[C@@H]3C2)c1 1776003055 SSQXJFPPBKUTMN-JPYJTQIMSA-N 399.340 4.101 30 50 GIEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3c(CC)nc4ccccc43)C2)N=N1 2325892591 SRJIOLMALYZIKA-QGZVFWFLSA-N 377.492 4.118 30 50 GIEA C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 808581 NJUSTVWWVNPSND-UHFFFAOYSA-N 384.347 4.169 30 50 GIEA N#Cc1nc(Cl)c(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1Cl 1005100 YHROBKSJZRFMCG-UHFFFAOYSA-N 397.070 4.368 30 50 GIEA CCOc1ccc(C(=O)/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2534643 MJHCZBCIAIRCHF-VAWYXSNFSA-N 379.334 4.362 30 50 GIEA C=C(C)COc1ccccc1[C@@H]1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21 65394984 XSDQDXQWVJNLKJ-INIZCTEOSA-N 380.444 4.083 30 50 GIEA C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(CC#N)cc3)nc2)c1 2325888895 HCJKCBKZMRWNKY-UHFFFAOYSA-N 398.422 4.317 30 50 GIEA CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N 869796 MHMRCQPNANOZCN-UHFFFAOYSA-N 396.438 4.223 30 50 GIEA O=C(O)CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 4865630 ORHGBHGBWRLGNP-YHYXMXQVSA-N 382.366 4.199 30 50 GIEA N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccc(C(F)F)c3Cl)C2)nc1 455141117 IMFYQWONIWQSFM-LBPRGKRZSA-N 392.793 4.229 30 50 GIEA O=c1c(/C=N/CCc2ccccc2)c(NCCc2ccccc2)nc2ccccn12 2251988 IKLJXWBYLNQXLN-LGUFXXKBSA-N 396.494 4.011 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccn1 2522922 YKRFHIUPJPCIPF-UHFFFAOYSA-N 393.516 4.380 30 50 GIEA CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1ccc(OCc2ccccc2)cc1 4530002 JHUWASXXJAGXKE-OAQYLSRUSA-N 376.456 4.263 30 50 GIEA CC[C@@H](N=c1[nH]c2cccc(C#N)c2n1C)c1cc(F)cc(Br)c1 2325829948 WWQGUOUPPWDPLR-OAHLLOKOSA-N 387.256 4.332 30 50 GIEA O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccc(O)cc1 4628319 ZRJAFDKDXDDHCH-ZROIWOOFSA-N 375.247 4.046 30 50 GIEA FC(F)(I)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 71766862 YRAAQTPTEGTGOK-SFOWXEAESA-N 378.840 4.386 30 50 GIEA in-vitro CCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1)C/C3=N\O 2084329459 IQYFDOBCLCCIJJ-BXDFRRGMSA-N 379.412 4.375 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)cc1OC 4915405 QMTATCFESREEKW-ROUUACIJSA-N 391.467 4.017 30 50 GIEA CCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 4060191 FDLGUAHFJANOKY-NRFANRHFSA-N 383.488 4.395 30 50 GIEA C=CCOc1cccc(C(=O)N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 12578065 GZEVVLVGKLCARX-HSZRJFAPSA-N 399.918 4.362 30 50 GIEA N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](n3cccn3)C2)cc1F 365820139 QROPBBNLXZKJQY-QGZVFWFLSA-N 391.406 4.165 30 50 GIEA COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CC4)n2)cc1OC 2325866272 GBTYEZWOIYFEKW-KRWDZBQOSA-N 390.464 4.416 30 50 GIEA O=C(O)c1ccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1 980559 NRIDPHPNVUPLOD-UHFFFAOYSA-N 384.387 4.426 30 50 GIEA CCOc1cc(C#N)cc(I)c1OCc1ccc(F)cc1 4820975 JYHIWNIDBLDOBB-UHFFFAOYSA-N 397.187 4.280 30 50 GIEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCC1=CCCCC1)C2 14542424 RULXUYFBXZDCHR-FQEVSTJZSA-N 396.579 4.033 30 50 GIEA C=CCOc1c(Cl)cc(CNCCc2ccc(OC)c(OC)c2)cc1OC 19922669 YBHONOUSIQZGNX-UHFFFAOYSA-N 391.895 4.263 30 50 GIEA N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(-c3ccccc3)no2)CC1 171778488 WYEPHSSAKSENGJ-UHFFFAOYSA-N 387.399 4.240 30 50 GIEA Clc1ccc(N2CCN(N=Cc3ccccc3Br)CC2)cc1 238923919 QIPKNCUMXAQLIT-UHFFFAOYSA-N 378.701 4.259 30 50 GIEA COc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 239135357 LCYJPFJPEFARHS-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA CCc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2ccc(F)cc2)cc1 17078089 OLAXGZZNLUYCIY-LNVKXUELSA-N 382.460 4.119 30 50 GIEA N#Cc1ccccc1C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 67783897 ZCOXMBNAIYNPTM-UHFFFAOYSA-N 397.356 4.431 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2n1C 629466 AORCJOXGJSJLAC-QFIPXVFZSA-N 392.499 4.345 30 50 GIEA COc1ccccc1N1CCN(C(=O)c2cccc(C#Cc3ccccc3)c2)CC1 1187981 DXYREAOQEOZTMN-UHFFFAOYSA-N 396.490 4.057 30 50 GIEA O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253400370 DXBGFOGRQMVXQW-HRVJUDJTSA-N 384.387 4.449 30 50 GIEA biogenic C=CC[C@H]1N(C(=O)c2nn(CCCC)c(=O)c3ccccc23)CCCC1(C)C 225512260 GKHBFMXCTILLEZ-LJQANCHMSA-N 381.520 4.404 30 50 GIEA COc1ccc(C(=O)/C=C/Nc2ccccc2I)cc1 1214735 PFFILDOYCNXNSQ-ZHACJKMWSA-N 379.197 4.108 30 50 GIEA Cc1nc(C#N)c(N2CCC(c3nc([C@@H](C)c4ccccc4C)no3)CC2)o1 252494926 OIFFAOTUVYWFSY-AWEZNQCLSA-N 377.448 4.082 30 50 GIEA CCC(=O)c1ccc(NC(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 5501030 RDCJPSCAWJBUTK-UHFFFAOYSA-O 398.486 4.209 30 50 GIEA CC(C)O[C@@H]1C[C@H](/N=C(/O)C2(c3cncc(Br)c3)CC2)C1(C)C 328684110 WOQSPISYMMCYSY-LSDHHAIUSA-N 381.314 4.424 30 50 GIEA C=CCn1c(S[C@H]2Cc3ccccc3C2=O)nc2sc3c(c2c1=O)CCC3 492129304 KZJJQOOEAMMKKA-INIZCTEOSA-N 394.521 4.032 30 50 GIEA C=CCc1cc(OCC)cc(CN2CCc3cc(OC)c(OC)cc3CC2)c1O 919952616 GHPOXLJHYKWSPK-UHFFFAOYSA-N 397.515 4.137 30 50 GIEA COc1cc(C#N)cc(I)c1OCc1cccc(C)c1 4808269 RQXJWEPRQRFHII-UHFFFAOYSA-N 379.197 4.059 30 50 GIEA CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257355416 APAJGQRLHCDZTD-NGLWFSPXSA-N 384.516 4.001 30 50 GIEA CC(=O)N1CCN(/C(O)=N/Cc2csc3ccccc23)CC12CCCCC2 328995862 WJGUMNGECAAHQX-UHFFFAOYSA-N 385.533 4.182 30 50 GIEA N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 754586 JBQSQKCDUZSCQG-UHFFFAOYSA-N 385.335 4.059 30 50 GIEA C#Cc1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 808582 QZVZDUXDQYIWQT-UHFFFAOYSA-N 384.347 4.169 30 50 GIEA C=CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cccc(OC)c1 5527486 DXSTUDXHNNPQPS-UHFFFAOYSA-N 381.457 4.130 30 50 GIEA COc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1Cn1nc(C)c(Cl)c1C 6922176 FJSMIRIZASEPOX-SOFGYWHQSA-N 398.894 4.148 30 50 GIEA C=CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(CCC)SC2=NC1=O 15799004 KEDYFENLCFVJFH-WMQSWVATSA-N 388.880 4.324 30 50 GIEA CCOc1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 245257221 XEOYUMVCLDBUCV-ZLNRFVROSA-N 383.451 4.201 30 50 GIEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1OC 1242064 JPZRNLINTYKGFZ-RGVLZGJSSA-N 388.880 4.177 30 50 GIEA COc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1Cn1nc(C)c(Cl)c1C 6921022 KIFUPCNYDSOUSK-SOFGYWHQSA-N 398.894 4.148 30 50 GIEA C=CCN(Cc1cccc(OCC)c1)C(=O)c1ccccc1-c1nccn1C 55132949 MOEYJFLJARIJDM-UHFFFAOYSA-N 375.472 4.314 30 50 GIEA COC(=O)c1cc(COc2ccc3c(c2)O/C(=C/c2cccnc2)C3=O)cs1 217703024 LTCYTIPQHXRLMR-CNHKJKLMSA-N 393.420 4.125 30 50 GIEA biogenic CC(C)(C)OC(=O)NCCCNc1oc(-c2ccc(Cl)cc2)nc1C#N 1857798554 NAVBJTUNAGTANP-UHFFFAOYSA-N 376.844 4.193 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CC(C)(C)CC2=O)N1 820490 QEQGQCSZHSJGPU-LJQANCHMSA-N 398.459 4.150 30 50 GIEA CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(F)c1 6420080 ZOTCMCCDRBTOBP-OAHLLOKOSA-N 399.491 4.222 30 50 GIEA C#Cc1cccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)c1 11841486 NLKKFNRNHVTTOQ-XMMPIXPASA-N 394.465 4.074 30 50 GIEA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H](C#N)C3)c2C)cn1 63871704 UHDAXIWJGMSVNS-QGZVFWFLSA-N 387.487 4.111 30 50 GIEA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C\c2ccc(OC)cc2)C1=O 1170766 QSCTXDMLKQXRBM-PDGQHHTCSA-N 383.831 4.226 30 50 GIEA COc1ccc(/N=C/c2c(NCc3ccccc3)nc3c(C)cccn3c2=O)cc1 2675013 PGBSVEYXCGYATR-PCLIKHOPSA-N 398.466 4.374 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 19300827 KYFNWKGRPCBHHE-IBGZPJMESA-N 383.488 4.252 30 50 GIEA CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 19771360 IEFBPLMVUXKBJU-JJIBRWJFSA-N 384.955 4.338 30 50 GIEA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 20322455 MZPCLACDDSLTGO-OAQYLSRUSA-N 376.431 4.432 30 50 GIEA CC1(C)OB(c2ccc(COc3cccc(Br)c3)cc2)OC1(C)C 310642691 UPMUUMBCNZWECQ-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 628388 YHKSGEDLPFFEBF-UHFFFAOYSA-N 399.541 4.300 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 2874320 ASFKICALRXQIPI-SFHVURJKSA-N 378.457 4.328 30 50 GIEA CCOc1ccccc1N1CCN(/C(S)=N\Cc2ccc(Cl)cc2)CC1 13519862 OKLAMPKMWQFJPV-UHFFFAOYSA-N 389.952 4.347 30 50 GIEA O=[N+]([O-])c1ccccc1/C=C/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 20171697 MXPRUPLAMGDQFB-BMGPFKPPSA-N 384.867 4.065 30 50 GIEA C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217897635 GUFBEPRJPWNXND-INIZCTEOSA-N 392.407 4.198 30 50 GIEA biogenic CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 1422753 FQAZNATURBBJGG-ZDUSSCGKSA-N 381.303 4.429 30 50 GIEA Fc1cccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)c1 6059931 BELKDBSBVUCZRJ-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA N#Cc1cccnc1-c1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1 426405741 PHTPDWCTQYIGRN-OAQYLSRUSA-N 375.472 4.042 30 50 GIEA Cc1cccc(-c2nnc(S)n2/N=C/c2ccc(Br)s2)c1 2509434 NRPCXYMWKGPRDV-LZYBPNLTSA-N 379.308 4.248 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 3970314 SMHKIZYJELWBBQ-FQEVSTJZSA-N 393.874 4.342 30 50 GIEA Cc1cc(C)nc([C@H](C#N)C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)n1 126351645 IPWKTLCWVGMGPU-LJQANCHMSA-N 385.471 4.038 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)cc(OC)c1 253432924 PXEBHSBOBDOISD-GGAORHGYSA-N 394.467 4.332 30 50 GIEA O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1cccs1 4282557 UTKCNOYBWOKFHL-DEDYPNTBSA-N 387.530 4.098 30 50 GIEA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2ccc(C#CCCO)cc2)C1 12112229 FDBOEQINLBHLSV-DEOSSOPVSA-N 399.538 4.410 30 50 GIEA C=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 15067230 SYZVKLYZRMUSPP-JOCHJYFZSA-N 394.559 4.371 30 50 GIEA C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C[C@@H]1CNc1ccc(C#N)nc1 1875338571 CADKKXPZRHXBGG-YJBOKZPZSA-N 390.512 4.378 30 50 GIEA C#CCN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)c2ccccc21 1066801 YXMFSBJSHCBFFU-RUZDIDTESA-N 389.495 4.041 30 50 GIEA C=C(C)Cn1c(SCC(=O)Nc2ccccc2C)nc2ccccc2c1=O 1067615 ZZIXOQOBBKLTQY-UHFFFAOYSA-N 379.485 4.012 30 50 GIEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1 252429355 GOZRNYXAUHLSAG-UHFFFAOYSA-N 379.272 4.431 30 50 GIEA C[C@H](C(=O)O)n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c2ccccc21 71760137 MQYZTOOHVMILGF-CYBMUJFWSA-N 398.422 4.175 30 50 GIEA O=[N+]([O-])c1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 239248146 YDZTVMFLSZTBCN-UHFFFAOYSA-N 398.466 4.316 30 50 GIEA N#C[C@H](NC(=O)c1cccc(N=c2cc[nH]cc2)c1)c1c(F)cccc1Cl 1875365304 LOOHHGGSXFPZHW-SFHVURJKSA-N 380.810 4.034 30 50 GIEA C=CCOc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1 4868558 MFRQZSQDFZDVQG-UHFFFAOYSA-N 377.444 4.352 30 50 GIEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 4986915 CJTBJENOFPITGG-DZGCQCFKSA-N 395.842 4.073 30 50 GIEA O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1cc(Cl)ccc1Cl 5734647 AXPCKPFDZISXTK-VYXQJKENSA-N 378.284 4.158 30 50 GIEA O=C1N/C(=N/N=C\c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccccc1 16662207 JPKLBERGUZDEHT-MAGMUUGSSA-N 375.453 4.111 30 50 GIEA Cc1ccc(CN2CCN(/N=C/c3cccc(Br)c3)CC2)c(C)c1 19791151 ONUQMGYSJRPUOY-HYARGMPZSA-N 386.337 4.218 30 50 GIEA C=C(C)CN(CC)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 55119964 GTPRKJKPIGHZTM-UHFFFAOYSA-N 376.504 4.005 30 50 GIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 6819592 UJZQEUKOFFUNCE-APWZRJJASA-N 391.467 4.098 30 50 GIEA C#CCCC1(CCC(=O)N[C@@H]2CN(Cc3ccccc3)C3(CCCC3)C2)N=N1 2325886719 GKVBUYZTPJSKQY-FQEVSTJZSA-N 378.520 4.046 30 50 GIEA Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1Cl 5102469 DUGYPGNCTLSZCM-WYMPLXKRSA-N 379.851 4.156 30 50 GIEA N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccccc2)n1 3355960 DNXJZOYLFHFSLG-UHFFFAOYSA-N 395.260 4.479 30 50 GIEA Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1Cl 245226915 SAQHNUNQEJAHMU-ASQXAKQVSA-N 380.831 4.049 30 50 GIEA O/C(=N/C1(c2noc(C3CCCC3)n2)CCCCCC1)[C@@H]1CCc2nn[nH]c2C1 329174184 LPZMEZVPQYDVOT-OAHLLOKOSA-N 398.511 4.156 30 50 GIEA O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1ccccc1 1875358209 NEEYJFZYOSQHHJ-PLRJNAJWSA-N 385.383 4.170 30 50 GIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)n1 4312130 FFJSSICDUZZSCS-FQEVSTJZSA-N 388.398 4.312 30 50 GIEA Cc1ccc(C(=O)CSc2ncnc3c(C#N)c4n(c23)CCCCC4)cc1 5540302 CVXBKDLQDAQJBW-UHFFFAOYSA-N 376.485 4.313 30 50 GIEA C=CCC(O)(CC=C)[C@@H](C)Nc1nncc(-c2cccc(C(F)(F)F)c2)n1 12758853 GYLBXWJFLPZUSH-CYBMUJFWSA-N 378.398 4.241 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 19856864 MUBGRJCTQFIUBZ-JLTOFOAXSA-N 397.858 4.468 30 50 GIEA Cc1csc(C2(NC(O)=Nc3ccc4nnc(C(C)C)n4c3)CCCC2)n1 328728927 FEYNLQHHGTXUMP-UHFFFAOYSA-N 384.509 4.222 30 50 GIEA N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1N1CCN(c2ccccc2)CC1 1775976556 RUIUJWOIYUWEDX-VQTJNVASSA-N 388.446 4.283 30 50 GIEA Cc1c(F)ccc2[nH]c(C(=O)N3CC[C@@]4(B5OC(C)(C)C(C)(C)O5)C[C@@H]4C3)cc12 1776002748 BDVWDTHEGVIIHG-JLCFBVMHSA-N 398.287 4.314 30 50 GIEA COc1cccc(/C=C/c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 4840523 VRKAOSFWCZTGEL-ZHACJKMWSA-N 386.455 4.052 30 50 GIEA C[C@H]1CCc2c(sc(NC(=O)c3cncc(Br)c3)c2C#N)C1 947390 CYALFTIHPGQIDS-VIFPVBQESA-N 376.279 4.154 30 50 GIEA FC(F)(F)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1475926 NTPYMWXWDWRUCC-UFFVCSGVSA-N 378.379 4.047 30 50 GIEA CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 2544425 FUNSOHLKQFKQJG-WSDLNYQXSA-N 391.924 4.136 30 50 GIEA COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1cccc(F)c1 4060330 VYSUHTCUBVUORP-SSDVNMTOSA-N 387.798 4.002 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 6812948 YYZOCYRUQQXVNF-IBGZPJMESA-N 399.874 4.263 30 50 GIEA CC(=O)c1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccc(F)cc2)cc1 12378371 YEQXNASNYJUJBF-UHFFFAOYSA-N 396.443 4.276 30 50 GIEA N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CCO1 225550813 XCMUCAOWATZFOJ-BBLCHGJFSA-N 399.450 4.069 30 50 GIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OC)c1 7720512 XYLQWGVDNNEZLV-UHFFFAOYSA-N 383.835 4.227 30 50 GIEA Cc1cc(-c2ccc(C(=O)N(CC3CC3)C[C@@H]3CCCO3)cc2)nc(C)c1C#N 534575959 MERQDVKIVMAKGF-NRFANRHFSA-N 389.499 4.268 30 50 GIEA O=S(=O)(/N=C(\Nc1cccc(O)c1)c1ccccc1)c1ccc(Cl)cc1 15659994 ZGAUZPRNZZRYNA-UHFFFAOYSA-N 386.860 4.293 30 50 GIEA COCCNC(=Nc1ccc(C)cc1)c1nc(C#N)c(Nc2ccc(C)cc2)o1 1857800226 NXQPUEPJGZSVIJ-UHFFFAOYSA-N 389.459 4.221 30 50 GIEA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253531307 IMHWUDTYEQIITA-UIELMHGGSA-N 380.532 4.306 30 50 GIEA C=CCn1c(Cc2ccccc2)nnc1SCc1cc([N+](=O)[O-])ccc1OC 5065376 BLCCVMNUFGZPFZ-UHFFFAOYSA-N 396.472 4.264 30 50 GIEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])c1 5625099 HWXNCWMJKBDAHJ-YBFXNURJSA-N 383.433 4.185 30 50 GIEA COc1ccc(-c2nc(C#N)c(NCCSc3ccc([N+](=O)[O-])cc3)o2)cc1 1857800497 ARLXHMWSQAEKLM-UHFFFAOYSA-N 396.428 4.334 30 50 GIEA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)OC2=O 4185884 XMNOZHGPEKGZRT-PKTZIBPZSA-N 375.424 4.253 30 50 GIEA CCCOc1ccc(/C=N/N(C)c2cc(C)nc(-c3ccccc3O)n2)c(O)c1 4697417 VDCHLVRPLARJCZ-OEAKJJBVSA-N 392.459 4.122 30 50 GIEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 17992940 PIWFESMCEYBBIS-PKOBYXMFSA-N 397.858 4.097 30 50 GIEA CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O 19925543 GPOFISDKRJOTAB-ZDLGFXPLSA-N 384.863 4.098 30 50 GIEA CC1(C)OB([C@@]23CCN(C(=O)c4ccc(OC5CCC5)cc4)C[C@@H]2C3)OC1(C)C 1875368642 HSURYMJXZQMLKZ-GAJHUEQPSA-N 397.324 4.316 30 50 GIEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2(C)C)[C@H]1c1ccc(Cl)cc1Cl 626943 BTVNCADPBZSMCE-CYBMUJFWSA-N 396.270 4.094 30 50 GIEA C(=NN1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 4135419 KVDVAWBLDPOQCG-UHFFFAOYSA-N 385.511 4.417 30 50 GIEA CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC 4368687 WWYRYCUUANOJHX-HXUWFJFHSA-N 396.491 4.124 30 50 GIEA Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1ccccc1 11879478 DSMLBFWCFFPSMP-INIZCTEOSA-N 379.529 4.215 30 50 GIEA CN(C(=O)c1cnn(C/C(O)=N/C2CCCCC2)c1)C1C2CC3CC(C2)CC1C3 329900669 GHKRETGGQQMCQQ-UHFFFAOYSA-N 398.551 4.069 30 50 GIEA C[C@@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1ccccc1-n1cccn1 827801677 ZBPCUKHECOZQGR-QGZVFWFLSA-N 385.467 4.256 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 6782312 XYONNMWQEMBDOM-OAQYLSRUSA-N 393.483 4.425 30 50 GIEA COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1CC=CCC1 226619534 OSIKFLRVCQWUGW-WAIKUNEKSA-N 394.515 4.460 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cc(OC)cc(OC)c1 253430675 FPFPYTJHFVKISD-IRLDBZIGSA-N 380.440 4.023 30 50 GIEA N#Cc1ccc(-c2nnc(CN3CCCc4c([nH]c5c(F)cccc45)C3)o2)cc1 366903266 ODWPAYMIXQQCRV-UHFFFAOYSA-N 387.418 4.177 30 50 GIEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 2860955 CDDLGEGUOWWABY-UHFFFAOYSA-N 398.419 4.153 30 50 GIEA CN(/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1 4763204 ZLGFQLPXUYLISW-RQZCQDPDSA-N 384.071 4.388 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 20604801 NPUWSBRBLVEGHT-UHFFFAOYSA-N 393.390 4.334 30 50 GIEA C=CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 67842764 RAMUYQKCDMLWGV-UHFFFAOYSA-N 392.459 4.425 30 50 GIEA CCOc1ccc(Br)cc1C(=O)/N=C(\N)NC1CCCCCCC1 71775212 OBVCCPZRXGXRAW-UHFFFAOYSA-N 396.329 4.005 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1 6819655 MTHQRDOXHLYNJH-PBHICJAKSA-N 381.859 4.353 30 50 GIEA C=CCn1c(=O)c(CN(C)[C@@H](C)c2c(C)nn(C)c2C)cc2cc(C)ccc21 14983019 NOJXTFSMABFLNT-KRWDZBQOSA-N 378.520 4.039 30 50 GIEA COc1ccc(C/N=C(/O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)cc1 328608585 ZVHAXTLTTRRGGX-FPOVZHCZSA-N 395.434 4.254 30 50 GIEA C=CCC1(C(=O)NC[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 1875268654 BUUYZXXQVCAQCR-QGZVFWFLSA-N 376.541 4.276 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2)cc1 5595773 WNEOCCRKNAHCDN-NRFANRHFSA-N 385.419 4.484 30 50 GIEA CCSc1nnc(N2C(=O)C[C@H](c3ccccc3C)C3=C2CCCC3=O)s1 1445789 HRDNYLXRDDGDFC-CQSZACIVSA-N 399.541 4.486 30 50 GIEA COc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc(Cl)c1 4360384 WKFWZKUPSHXFHC-GIJQJNRQSA-N 398.713 4.432 30 50 GIEA C/C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)c1ccc(Br)cc1 4737961 RKMKXQKHWBYRKJ-UFFVCSGVSA-N 381.237 4.105 30 50 GIEA CCOc1cc(C#N)ccc1OCc1cccc(I)c1 4826387 JNDZESIGEUGZGO-UHFFFAOYSA-N 379.197 4.141 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccccc1Cl 5009627 WIQGEWPRQSCOCL-IXJMWADBSA-N 378.284 4.158 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 16971332 ANXLLNKPSOBJTQ-FQEVSTJZSA-N 388.398 4.312 30 50 GIEA COc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1OC 19849102 RPLVIZQEPMCPNQ-KOEQRZSOSA-N 389.499 4.009 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)cc1 2730212 DQAASANCZGVMLL-CVEARBPZSA-N 398.484 4.433 30 50 GIEA Cc1cc(Br)cc(C)c1NC(=O)CSc1ncccc1C#N 9295596 GTNHTMYBUNFETN-UHFFFAOYSA-N 376.279 4.063 30 50 GIEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=S 13801454 WSBOJXZFTRFCRY-PDGQHHTCSA-N 384.526 4.490 30 50 GIEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21 169746302 MRVFRFXOZGTHHX-UHFFFAOYSA-N 377.677 4.377 30 50 GIEA in-vitro C=CCOc1cccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1 12196237 AFEKHZAZRMWXRN-FQEVSTJZSA-N 382.479 4.127 30 50 GIEA NOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1 15769793 MDIJLDNKJGVSMH-UHFFFAOYSA-N 381.455 4.387 30 50 GIEA C=CCn1c(SCc2nc3ccccc3[nH]2)nc2sc(C)c(C)c2c1=O 784825 DBMRYXHYJBDMAZ-UHFFFAOYSA-N 382.514 4.429 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)cc1OC 4915368 NKPUSJACIYBNEY-MSOLQXFVSA-N 391.467 4.017 30 50 GIEA Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)n(Cc2ccco2)c1C 239309694 HTOCIVCNPWYJSK-MOPGFXCFSA-N 394.519 4.069 30 50 GIEA Cc1ccc(CC/C(O)=N/C[C@@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)cc1 328604832 LGZPZVKZHSPRGT-GOSISDBHSA-N 382.508 4.056 30 50 GIEA CCOc1ccc(N=CC2=S=C3SC=C(c4ccccc4)N3C2=O)cc1 367797894 DXPSSCKWPGUDSP-UHFFFAOYSA-N 380.494 4.368 30 50 GIEA C=CCn1c(SCC(=O)c2cc(C)n(CC)c2C)nnc1-c1ccccc1O 10231470 GKGIAZTUKPIIEJ-UHFFFAOYSA-N 396.516 4.250 30 50 GIEA Cc1cc(C)c(C#N)c(S[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 170626399 RQPCGBVOMQYCDW-MRXNPFEDSA-N 391.418 4.487 30 50 GIEA COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 19731629 VAXDNBUBOMOOGK-NRFANRHFSA-N 381.472 4.149 30 50 GIEA FC(F)(F)CO[C@@](F)(Br)[C@@](F)(Br)C(F)(F)F 95676697 VUXWJSADJYWRST-IUYQGCFVSA-N 389.862 4.207 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1F 225512445 BOFLBYDMPZMDEL-UGKGYDQZSA-N 398.430 4.162 30 50 GIEA C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 1074245 SBQLFBKNKKXWTA-UHFFFAOYSA-N 379.485 4.039 30 50 GIEA C=CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)cc1 5061766 NLCFUTZCBJMENR-XSFVSMFZSA-N 393.414 4.268 30 50 GIEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 22216042 XIJSNBGYZHMFJN-IBGZPJMESA-N 379.485 4.058 30 50 GIEA N#Cc1cc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c[nH]1 95502586 YNQPDLVCSOCHKR-NRFANRHFSA-N 391.563 4.328 30 50 GIEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 2293477 NNVUKSRBNFSAPE-XQNSMLJCSA-N 386.927 4.048 30 50 GIEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 239046321 FNMHCCPWPLEDCO-UHFFFAOYSA-N 378.379 4.143 30 50 GIEA CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1Cl 1127061 GHJIMJZIGNHYKN-IBGZPJMESA-N 386.904 4.301 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 6813027 YYZOCYRUQQXVNF-LJQANCHMSA-N 399.874 4.263 30 50 GIEA CC(C)Oc1cccc(CC(=O)N2CC[C@@]3(B4OC(C)(C)C(C)(C)O4)C[C@H]3C2)c1 1776003054 SSQXJFPPBKUTMN-FDDCHVKYSA-N 399.340 4.101 30 50 GIEA CCCOc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(C)cc3)o2)cc1 1857799531 IVNVEDSYTWIQSM-UHFFFAOYSA-N 382.441 4.143 30 50 GIEA N#Cc1ccccc1NC(=O)c1cc(I)ccc1Cl 1158455 WEIZGNIJIHHOMU-UHFFFAOYSA-N 382.588 4.069 30 50 GIEA COc1c(Br)cc(Cl)cc1/C=C1\N=C(SC)SC1=O 1159581 MLFAHQMFJGKMKJ-WTKPLQERSA-N 378.700 4.444 30 50 GIEA COc1cc2c(cc1OC)S(=O)(=O)OC(c1ccccc1)=C2c1ccccc1 19899223 IRRGPNBOQUTPHJ-UHFFFAOYSA-N 394.448 4.339 30 50 GIEA CCOC(=O)COc1ccc(/C=N\Nc2ccc(Cl)c(Cl)c2)cc1OC 32465093 OSDXXHKLJPQMNF-FBHDLOMBSA-N 397.258 4.390 30 50 GIEA C=CCOc1cccc(CN(CC)C(=O)CC(=O)Nc2cccc(C)c2C)c1 55576180 QYKMEPRENVGWCC-UHFFFAOYSA-N 380.488 4.246 30 50 GIEA C=CCOc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 334160397 CWOOYWBAPZBMIL-UHFFFAOYSA-N 386.407 4.174 30 50 GIEA C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccn1 2246094 KSXQOGOVNQRSGW-UHFFFAOYSA-N 393.516 4.182 30 50 GIEA NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Cl)cc1Cl 958084 AIGSNEAROPRMBZ-UHFFFAOYSA-N 376.268 4.320 30 50 GIEA C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=N)NC1=O 5101984 HNONBEOAFDXOTO-RGEXLXHISA-N 380.469 4.012 30 50 GIEA C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl 12342709 JHGAUNUBBNXBKB-LFIBNONCSA-N 387.222 4.103 30 50 GIEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(Cl)c21 169746303 BEBXOCOXQGXHIB-UHFFFAOYSA-N 377.677 4.377 30 50 GIEA in-vitro CCCCCCCCOc1cc(N)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003339 STZVODSNXRLNIY-UHFFFAOYSA-N 392.305 4.216 30 50 GIEA C#CCCC1(CCC(=O)N[C@H](CC2CCCCC2)C(=O)OC(C)(C)C)N=N1 2325894933 YVKQWSZNJAATGN-QGZVFWFLSA-N 375.513 4.139 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1 2351644 USIWFVIPNSMVBS-UHFFFAOYSA-N 393.516 4.380 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 5102388 HVKYUSPFYWNQNO-GOSISDBHSA-N 394.456 4.034 30 50 GIEA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 12437504 WANLQXQWCAYCOO-OAQYLSRUSA-N 395.930 4.477 30 50 GIEA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2777871 XINBVWUHHZQEKH-UHFFFAOYSA-N 393.621 4.040 30 50 GIEA Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1-c1ccc(Br)cc1 978721 WTHQWNCFHJTWSY-UHFFFAOYSA-N 380.245 4.233 30 50 GIEA CCCOc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC 2885172 SVMPVVQBSJFGLK-QFIPXVFZSA-N 394.471 4.228 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 5102390 HVKYUSPFYWNQNO-SFHVURJKSA-N 394.456 4.034 30 50 GIEA COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6819481 XKSUDNDLYJLNQU-WMLDXEAASA-N 381.859 4.353 30 50 GIEA Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1Br 5450553 PKUMWODTLGLNFX-GIJQJNRQSA-N 377.242 4.391 30 50 GIEA C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)N=C1SCC(=O)c1ccccc1 5670341 WEYZQSWAYDHFPJ-XMHGGMMESA-N 392.480 4.036 30 50 GIEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 820521 NLJJIMCQTAHORF-IBGZPJMESA-N 398.459 4.150 30 50 GIEA COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc(Cl)cc1C 2791895 SFSQOSUBWCEPJM-ZVBGSRNCSA-N 388.880 4.372 30 50 GIEA Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)nn1-c1ccc(F)cc1F 156212300 OGDXRPILGAIIIL-UHFFFAOYSA-N 383.402 4.139 30 50 GIEA N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)NC1CC1 1056504 REQGVWXSAZSUTR-UHFFFAOYSA-N 383.420 4.071 30 50 GIEA C=CCn1c(SCC(=O)N(CC)c2ccccc2)nnc1-c1ccccc1 9294933 MWKBJHXQVSHKTI-UHFFFAOYSA-N 378.501 4.276 30 50 GIEA Cc1ccc(CN2CCN(N=Cc3ccc(Br)cc3)CC2)c(C)c1 2209981 HUXDQFHSQFVBCO-UHFFFAOYSA-N 386.337 4.218 30 50 GIEA C=CCN1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 2355223 LJTHSTVUPOUXDG-AWEZNQCLSA-N 383.854 4.379 30 50 GIEA C=CCOc1cccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)c1 91779861 LMRBVDLXZKLDSK-UHFFFAOYSA-N 379.504 4.268 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnc(-c5ccncc5)s4)C[C@H]2C3)OC1(C)C 1776003051 SITAYYXEQACQDL-IIBYNOLFSA-N 397.353 4.263 30 50 GIEA COc1cc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1O 1473650 KPFUEDGYGAEQIJ-UFWORHAWSA-N 395.271 4.137 30 50 GIEA N#Cc1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1 2861094 XJMVCULIZHKANG-UHFFFAOYSA-N 376.395 4.018 30 50 GIEA O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1OC(=O)N1CCOCC1 4833769 SMOVQRYQKAAQDI-XVNBXDOJSA-N 389.810 4.206 30 50 GIEA C/C(=N/N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 5047958 GRYHSJNMADRUOA-OLIBUNOHSA-N 375.856 4.033 30 50 GIEA CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C\c2ccccc2)C1=O 5066981 HXPOBJDRRAXKDI-VBKFSLOCSA-N 396.424 4.138 30 50 GIEA CC[C@@]1(C)Oc2ccc(N=C(O)N3CCC4(C3)Oc3ccccc3O4)cc2O1 329565998 OOXNDKJZPDHXLS-FQEVSTJZSA-N 382.416 4.003 30 50 GIEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1 4820166 GJMWEQGQSMJALU-MRXNPFEDSA-N 391.876 4.016 30 50 GIEA O=C(O/N=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1c(F)cccc1F 5588976 GWNNZQSFEKYADA-UUYOSTAYSA-N 389.358 4.054 30 50 GIEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1ccc(Br)cc1 104224211 BWHYCVOLLVTQTB-UTYYKHSJSA-N 385.261 4.134 30 50 GIEA CCCC(=O)c1cccc(NC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)c1 1875334347 KOYBZWBUDDLQSM-UHFFFAOYSA-N 390.487 4.332 30 50 GIEA CN(C)c1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4063855 UODQZFLIFGJBOU-WSDLNYQXSA-N 390.468 4.429 30 50 GIEA COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1Cn1nnc2ccccc21 4310041 ABOVCHMGGVPUAX-WUXMJOGZSA-N 385.423 4.090 30 50 GIEA O=C1CCC(=O)N1c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 6322184 UYTHEQRCBQKWDY-UHFFFAOYSA-N 375.265 4.223 30 50 GIEA Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)s2)cnn1-c1cccc(F)c1 12373501 RPRVXDPWIPKEBA-OAHLLOKOSA-N 397.519 4.355 30 50 GIEA O=C(NCCc1ccc2n[nH]cc2c1)c1ccc(C/N=C(/O)C2CCCC2)cc1 328592016 NOPIOJKHVCFYLS-UHFFFAOYSA-N 390.487 4.182 30 50 GIEA Cc1cc(C)c2c(c1)CC[C@H]2Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C#N 2325827423 FSHNUCZITSXZSD-HXUWFJFHSA-N 397.544 4.351 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1 6819659 MTHQRDOXHLYNJH-YOEHRIQHSA-N 381.859 4.353 30 50 GIEA CCOC(=O)N[C@@H](NC(=S)N=C1CCCCCC1)C(Cl)(Cl)Cl 5592209 FVSNUGSMRBPEFG-SNVBAGLBSA-N 388.748 4.099 30 50 GIEA CC(C)c1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875326752 TXBRKTSYWKJISG-LBPRGKRZSA-N 381.457 4.482 30 50 GIEA COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)Nc1ccc(C#N)c(F)c1)CC2 1875339175 CDQFJAOTAMINIK-NRFANRHFSA-N 395.434 4.256 30 50 GIEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 1185912 MWZSWUVGXKIUOS-JOCHJYFZSA-N 387.483 4.305 30 50 GIEA Cc1cccc(OCC(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)c1C 2840797 ZXDVYVUYYFBVOZ-UHFFFAOYSA-N 399.541 4.007 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccs1 225510808 OLCASSOXVDMHGR-UZLBHIALSA-N 386.469 4.085 30 50 GIEA C[C@H](Oc1cccc(Cl)c1)C(O)=Nc1cccc(C(=O)N(C)CC(=N)O)c1 328590613 JYEPKPNMFFJJIB-LBPRGKRZSA-N 389.839 4.003 30 50 GIEA O=C(C[C@H](c1ccccc1)C1([N+](=O)[O-])C(=O)c2ccccc2C1=O)c1ccccc1 2463096 OCPVLXZZXNCLRR-HXUWFJFHSA-N 399.402 4.138 30 50 GIEA biogenic CC(=O)/C(=N\Nc1cc(C(N)=O)c(Cl)cc1Cl)Nc1ccc(C)cc1C 5024074 NLCFPTXNBDYQSG-UHFFFAOYSA-N 393.274 4.136 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cc(OC)ccc1OC 170615396 WBLWRBGDHUJOGL-NZQKXSOJSA-N 394.467 4.332 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccs1 2844407 OTAYBVMRRAFUDU-RBZFPXEDSA-N 383.469 4.266 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 4820076 RQNZOYQKNWCYEL-GOSISDBHSA-N 399.512 4.270 30 50 GIEA CC1(C)CC(=O)C(I)=C(Nc2cccc([N+](=O)[O-])c2)C1 5190306 RPBCMJHDZYVLQM-UHFFFAOYSA-N 386.189 4.042 30 50 GIEA C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 15010860 YVASMNLWXWJXRW-UNOMPAQXSA-N 397.427 4.083 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 827883924 RXCPDDVHZPWMME-OAQYLSRUSA-N 389.495 4.401 30 50 GIEA O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 5816337 BFVJYQBVPVWJDQ-RKDSPFTASA-N 375.381 4.250 30 50 GIEA CCCCCCCCCCCCN([C@@H](CCSC)C(=O)O)S(C)(=O)=O 101172570 IJKOQLNJXRAVFP-KRWDZBQOSA-N 395.631 4.375 30 50 GIEA N#CCCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2cccc(Cl)c2)n1 3356879 KENPVMSRSLOICD-UHFFFAOYSA-N 395.806 4.278 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 5595803 VKZQBDHYTRCEGN-QGZVFWFLSA-N 376.437 4.234 30 50 GIEA O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 31716589 QVKWDKPHEMCSMJ-VZFXBBDVSA-N 392.371 4.053 30 50 GIEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C 2755498 GSBNSQWQHIWMAB-OAQYLSRUSA-N 397.515 4.179 30 50 GIEA CCc1cccc2c1NC(=O)/C2=C1\S/C(=N/c2ccc(Cl)cc2)N(C)C1=O 100988384 CMTKACJSQFVABG-MSZXJHISSA-N 397.887 4.459 30 50 GIEA Cc1ccccc1-n1cc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)cn1 827801468 IFAJLVWJJRATOU-UHFFFAOYSA-N 385.467 4.004 30 50 GIEA CC(C)CCN1CCC[C@@]2(CCc3c(N4CC(C#N)C4)nc(C(C)(C)C)nc32)C1 1875247336 SPNAVWZCRYCADL-XMMPIXPASA-N 395.595 4.060 30 50 GIEA CCN1C[C@H](c2ccccc2)NC1=NCc1ccc2cc(OC)c(OC)cc2c1 2325863622 QDAXMBAWAYRKTC-OAQYLSRUSA-N 389.499 4.379 30 50 GIEA CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(/C=N/O)=C2Cl 2075313 AEIPRVSMLYGFSI-DJKKODMXSA-N 384.885 4.410 30 50 GIEA C/C(=N\NC(N)=S)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253498878 AKPCCIPQFSCLFK-PHWLDDLOSA-N 389.609 4.135 30 50 GIEA biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 719300 SERARALDUWHHHT-QAPCUYQASA-N 389.245 4.361 30 50 GIEA O=[N+]([O-])c1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 6926836 STKUHIROZSRSSF-UHFFFAOYSA-N 394.243 4.331 30 50 GIEA C=CCn1c(S[C@@H]2Cc3ccccc3C2=O)nc2sc3c(c2c1=O)CCC3 492129305 KZJJQOOEAMMKKA-MRXNPFEDSA-N 394.521 4.032 30 50 GIEA O=C(NC[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1)c1ccco1 14971957 JJPZNXCKGAYQCE-QFIPXVFZSA-N 398.506 4.321 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1OCC 170618239 AQUFDPXLXONMLA-CVDCTZTESA-N 394.467 4.413 30 50 GIEA Cc1cc(C(F)(F)F)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C 225619445 CEZBLVAGWXNWPB-UHFFFAOYSA-N 378.398 4.312 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 5595811 VKZQBDHYTRCEGN-KRWDZBQOSA-N 376.437 4.234 30 50 GIEA C[C@H]1CN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)C[C@@H](C)O1 13153114 YYDPYCVTMNIQCM-PHIMTYICSA-N 382.247 4.046 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)o1 1121115 PAPIPFQVMCREPT-SFHVURJKSA-N 381.359 4.099 30 50 GIEA O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1OC(=O)N1CCOCC1 4423237 AKTIAMLUVFYJTC-XVNBXDOJSA-N 389.810 4.206 30 50 GIEA Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C)c(Cl)c(C)c1C#N 4771552 QQDCOVFVXYSTTC-UHFFFAOYSA-N 390.852 4.171 30 50 GIEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC 217792012 YLVVLJRXOPHDMR-CQSZACIVSA-N 380.396 4.014 30 50 GIEA biogenic Cc1cnc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@H]32)s1 230019530 DYZRPSUKMHCSGX-SIKLNZKXSA-N 389.528 4.322 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(SC)cc2)cc1OC 1475978 OKUOHLRLVMOEOR-YBFXNURJSA-N 386.502 4.229 30 50 GIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257359325 ZPTTUFVORSZZFO-BRGFEECMSA-N 390.495 4.357 30 50 GIEA Cc1csc([C@@H](C#N)C(=O)C[C@@H]2Cc3ccc(Br)cc3C2)n1 2325794501 DRHQHUCSFZQMMU-ABAIWWIYSA-N 375.291 4.195 30 50 GIEA Cc1cc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)ccc1Cl 1168816 PXHPTDZJPQOMSR-BHGWPJFGSA-N 379.851 4.156 30 50 GIEA C=CCc1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 20500027 IOOCSBTXYZKUGK-UHFFFAOYSA-N 394.559 4.401 30 50 GIEA O=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 1175342 TYFHLNFSLBQEQI-HZHRSRAPSA-N 389.480 4.002 30 50 GIEA O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 5819012 PDHZKADGEVACCD-INIZCTEOSA-N 398.390 4.204 30 50 GIEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NC1CCCCCC1)C2 14741944 KUVBMJYZADJDBM-FQEVSTJZSA-N 398.595 4.255 30 50 GIEA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118921938 CSBUEGHWYWGGEI-ZZRUXJPFSA-N 380.532 4.306 30 50 GIEA N#C[C@@H](NC(=O)c1cccc(N=c2cc[nH]cc2)c1)c1c(F)cccc1Cl 1875365303 LOOHHGGSXFPZHW-GOSISDBHSA-N 380.810 4.034 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 623101 OXJAGNWGBFZRJK-UHFFFAOYSA-N 378.501 4.479 30 50 GIEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 5818307 YEOAFTSKHAENIH-OAQYLSRUSA-N 384.435 4.481 30 50 GIEA COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@H]1CC=C(C)C[C@@H]1C)N(C)CC3)OCO2 229994109 FKYITSOBJSHMDA-USMVIVTJSA-N 397.515 4.461 30 50 GIEA biogenic COc1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1Br 243932287 BUIISBPREAAGCM-UHFFFAOYSA-N 395.326 4.268 30 50 GIEA Cc1nc(C2(/N=C(/O)[C@@H]3C[C@]34CCOc3cc(C)c(C)cc34)CCCC2)no1 328607585 WOYPOMIBZFAYJU-UWJYYQICSA-N 381.476 4.461 30 50 GIEA CCN(CC)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 5093794 LNZNVECAELCFMX-UHFFFAOYSA-N 380.455 4.326 30 50 GIEA C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 20103236 RGESARGXJNLOGU-HKOYGPOVSA-N 388.471 4.290 30 50 GIEA N#Cc1cccc(COc2cccc(CNc3cn(Cc4ccccc4)nn3)c2)c1 328591534 WWVMVALMPJCPTM-UHFFFAOYSA-N 395.466 4.389 30 50 GIEA C=CCN1C(=O)[C@H](Cc2cccc(C)c2)S/C1=N\c1ccc(C(=O)O)cc1 1229759 FXKAWMNMNUOWAV-ZREAOVPFSA-N 380.469 4.053 30 50 GIEA N#CCCn1cc(C(=O)Oc2ccccc2)c(-c2cccc(Br)c2)n1 3372259 VRUUORQMZUANJJ-UHFFFAOYSA-N 396.244 4.445 30 50 GIEA C#CCCC1(CCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)N=N1 2325892669 WERINFRGLHHMLX-QGZVFWFLSA-N 388.471 4.472 30 50 GIEA C=C(C)[C@@H]1CC=C([C@@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)CC1 135949380 LOISBJJFWMKRLS-PSSCGGISSA-N 376.460 4.125 30 50 GIEA biogenic C[C@H](Cc1c(F)cccc1F)/N=C(/O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 329831501 SVOIRJVJIBYTKD-VAKZPMALSA-N 394.506 4.258 30 50 GIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1OC 4915410 QMTATCFESREEKW-ZWKOTPCHSA-N 391.467 4.017 30 50 GIEA CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)cc1 12056740 MIMTYIBBUXFDHG-QFIPXVFZSA-N 393.552 4.237 30 50 GIEA C#Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 15076871 RQZBPFBGWDRCKZ-NRFANRHFSA-N 375.468 4.190 30 50 GIEA COc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 100510729 HYGDHZLCZQTXEC-PTGBLXJZSA-N 391.456 4.009 30 50 GIEA COc1cc(/C=C2\Oc3ccc(Br)cc3C2=O)cc(Cl)c1O 299738178 GPLCERPRCOXGBB-NSIKDUERSA-N 381.609 4.433 30 50 GIEA C#CCCC1(CCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)N=N1 2325892668 WERINFRGLHHMLX-KRWDZBQOSA-N 388.471 4.472 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(CC)CC)cc1 19315135 GYYOBJJCXAZJIG-OAQYLSRUSA-N 396.531 4.454 30 50 GIEA N#Cc1ccccc1-c1ccc(CN2CCc3[nH]cnc3[C@H]2c2cccnc2)o1 67473327 RVJCZLAAHMWLJG-HSZRJFAPSA-N 381.439 4.084 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1C 170615365 JAXOTGWJBUNELR-GMAHTHKFSA-N 394.467 4.332 30 50 GIEA C#CCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 170668196 PJLUHHVLBGICQV-PDGQHHTCSA-N 390.464 4.224 30 50 GIEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)n1ncnc1N2 4786596 GTCTWVQERHMMOL-JLTOFOAXSA-N 394.837 4.486 30 50 GIEA O=C(O)c1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 244794520 QOIYEQPBXLIFLD-UHFFFAOYSA-N 397.478 4.106 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 2113783 MHEVBUWRBHZQBI-KRWDZBQOSA-N 392.440 4.018 30 50 GIEA C=CCN(c1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1)S(C)(=O)=O 2870689 OAQTTXYESSIKDZ-UHFFFAOYSA-N 386.517 4.234 30 50 GIEA C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 2874502 FILIRCWOECIQMN-UHFFFAOYSA-N 380.429 4.014 30 50 GIEA C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 709449 WAVZNOPBSZZNRK-XMMPIXPASA-N 381.435 4.145 30 50 GIEA CN(C)N1C(=O)C[C@@H](c2ccccc2F)C2=C1C[C@@H](c1ccccc1)CC2=O 1430557 JIKXBJZHSLCNTP-AEFFLSMTSA-N 378.447 4.019 30 50 GIEA Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 115012878 NAYMQBHIMDDVPC-UHFFFAOYSA-N 385.471 4.213 30 50 GIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccc(OC)cc12 245226219 KWCBVDIPTCNUQC-VNGQKTBXSA-N 392.499 4.134 30 50 GIEA O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253412013 PQGNMSJWRATLBF-HDOAHBKWSA-N 384.387 4.449 30 50 GIEA biogenic C=CCOc1c(CC=C)cc(CN(CCOC)Cc2ccncc2)cc1OCC 824405411 DFJYIJITZSOBHO-UHFFFAOYSA-N 396.531 4.422 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 4312708 MPXMEVUGBLJMQN-JOCHJYFZSA-N 398.462 4.477 30 50 GIEA CC(C)CC(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl 4611121 GBPDUCXPESBPNM-CQSZACIVSA-N 394.755 4.379 30 50 GIEA COc1ccc(C(=O)C[n+]2ccc(-c3cccc4ccccc34)nc2)cc1OC 6247002 LLHHPMKXIIQHAL-UHFFFAOYSA-N 385.443 4.089 30 50 GIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1 8564761 YOTXNOWTUOGBOU-INIZCTEOSA-N 384.844 4.439 30 50 GIEA CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 19867717 MOCQSWYHQAGSPI-UHFFFAOYSA-N 391.283 4.251 30 50 GIEA C=C(C)COc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 96167158 DZQSCASVIHKHQM-OAQYLSRUSA-N 381.476 4.014 30 50 GIEA FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F 100048668 YSGKVOMJRCQYMT-UHFFFAOYSA-N 386.035 4.447 30 50 GIEA in-vitro O=C(CC/C(O)=N/C1CCCC1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 328751237 CJFWBPUTSBQNKV-DEOSSOPVSA-N 397.563 4.180 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 2844408 OTAYBVMRRAFUDU-RNODOKPDSA-N 383.469 4.266 30 50 GIEA CCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 4060194 FDLGUAHFJANOKY-OAQYLSRUSA-N 383.488 4.395 30 50 GIEA COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)c1 4916318 RTLZXXQPBAOOBT-HNAYVOBHSA-N 391.467 4.017 30 50 GIEA CC(C)(NC(=O)OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170005150 VROFFTZWURTFQF-UHFFFAOYSA-N 395.308 4.147 30 50 GIEA Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)Cc1ccc(C#N)cc1 170651068 CZDVZRFGPXYLSH-AREMUKBSSA-N 383.904 4.214 30 50 GIEA Cc1c(CCC(C)C)c(N2CCN(C)CC2)n2c(nc3ccccc32)c1C#N 1467937 HMDCHUJABWOXNP-UHFFFAOYSA-N 375.520 4.008 30 50 GIEA C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)CC1 5305289 JNDAUMPWAXZUOU-UHFFFAOYSA-N 375.520 4.020 30 50 GIEA C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)NC1=O 19798904 VIOHLEMFHICCBF-RGEXLXHISA-N 397.521 4.362 30 50 GIEA Cc1nc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccncn3)cc2)c(C#N)c(C)c1C 584886950 YUVVLYWKNKJRRG-KRWDZBQOSA-N 385.471 4.169 30 50 GIEA C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1875266600 FKEVQFYMXZDTQG-RYQLBKOJSA-N 388.471 4.044 30 50 GIEA C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccncc1 2385199 CPWWLRNGGPHKOG-UHFFFAOYSA-N 393.516 4.182 30 50 GIEA COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC 1460130 WTIRZANOODVIMZ-NRFANRHFSA-N 375.428 4.076 30 50 GIEA C=CCc1c(C)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c2c1C 4958084 RDUVJIWYEPQTME-UHFFFAOYSA-N 382.445 4.384 30 50 GIEA CSc1ccc([C@@H](C(C#N)C#N)[C@@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 4996427 KEAKKIJXQFDIKG-UXHICEINSA-N 395.459 4.138 30 50 GIEA O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cccc(Cl)c1Cl 5005179 YVCIDBOMHBZLOW-ANKPHQHTSA-N 378.284 4.158 30 50 GIEA COc1cccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c1OC 217827075 YXBCZGUFUWFAMU-AWEZNQCLSA-N 380.396 4.014 30 50 GIEA biogenic Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 18061908 ZRLMKXLHFGQFHY-QGZVFWFLSA-N 394.427 4.374 30 50 GIEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(O)=Nc1ccc2c(c1)N=C(O)[C@@H](C)O2 328603370 FXPQPXASZXRCPD-DTJNWYTMSA-N 394.427 4.393 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)cc(OC)c1 253431077 GIUBYORGZKPLAE-UNMCSNQZSA-N 398.430 4.162 30 50 GIEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(Cl)cc1C)CC2 91932822 MLOBWAGMXKWXMG-UHFFFAOYSA-N 375.900 4.071 30 50 GIEA CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1C#N 6387510 MUECXNFCMQEXGQ-UHFFFAOYSA-N 397.434 4.439 30 50 GIEA COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 7276411 VXKLSTSEQCHPOG-VAWYXSNFSA-N 386.455 4.052 30 50 GIEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)C)cc2)c1 9088166 BRIVFTCJICCIPN-FYJGNVAPSA-N 381.505 4.343 30 50 GIEA O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccccc1O 818018 REFUIIJLIZHJNV-LSFURLLWSA-N 381.844 4.366 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 1187502 KMBRXIOEAKFHLA-KSFYIVLOSA-N 377.440 4.123 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 5094686 GZDAXOWDCFUAPW-OAQYLSRUSA-N 387.483 4.324 30 50 GIEA COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@H]2C(C)=O)cc1 13387763 VVHLLIDVSGDNCN-SGNDLWITSA-N 393.483 4.094 30 50 GIEA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 677278 TZRKAOXTUDSBRI-OAQYLSRUSA-N 381.472 4.236 30 50 GIEA CSc1ccccc1C(=O)O/N=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1 1211813 PJJYXDRGLCMEGO-QOCHGBHMSA-N 393.424 4.321 30 50 GIEA CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 2844409 OTAYBVMRRAFUDU-XCLFUZPHSA-N 383.469 4.266 30 50 GIEA C=CCn1c(S)nnc1COc1ccc2cc(Br)ccc2c1 6262119 CGOLVNJFTQGQGL-UHFFFAOYSA-N 376.279 4.248 30 50 GIEA N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(Cc2ccccc2)CC1 54151503 AXOVONGURINTPY-CMDGGOBGSA-N 376.485 4.100 30 50 GIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](COC)c2ccccn2)cn1 65467623 CCGLGVNRJKKKBV-OAQYLSRUSA-N 385.471 4.230 30 50 GIEA COc1ccc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(OC)c(OC)c2)cc1OC 100022630 ZMGUKFHHNQMKJI-NFXRBXGASA-N 396.439 4.459 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(F)cc1 225512841 GFBQCIOHXXOYFL-IFMALSPDSA-N 381.447 4.211 30 50 GIEA Cc1ccc(O[C@H](C)C(O)=Nc2snc(C)c2C#N)c(Br)c1 328597905 JHWHEXCACTWJIK-SNVBAGLBSA-N 380.267 4.450 30 50 GIEA C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(C)cc1 2861187 LRTJLMKWDJMDNN-UHFFFAOYSA-N 392.528 4.303 30 50 GIEA C=CCN(Cc1cccc(-c2nc(O)cc(C(F)F)n2)c1)Cc1ccccn1 23191989 JWKLQHOARKHKDP-UHFFFAOYSA-N 382.414 4.370 30 50 GIEA N#C[C@@H](C(N)=O)[C@H](SCc1ccccc1)c1ccc(Br)cc1 23549809 VIXPFPDPFIOCJJ-HZPDHXFCSA-N 375.291 4.049 30 50 GIEA N#Cc1cccc(CN2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)c1 95497946 JSCBDKKQUFLUQE-UHFFFAOYSA-N 387.527 4.006 30 50 GIEA O=S(=O)(/N=C(/c1ccc(F)cc1)N1CCCCC1)c1ccc(Cl)cc1 101033910 DHNFCEYDQLEIJN-UZYVYHOESA-N 380.872 4.101 30 50 GIEA Cc1ccc(OCCOc2c(Cl)cc(/C=N/n3cnnc3)cc2Cl)cc1 2969102 HRJZWYADRRXDKB-AUEPDCJTSA-N 391.258 4.233 30 50 GIEA N#Cc1cc(F)c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c(F)c1 192104469 PLYGDFCXFQIRGN-UHFFFAOYSA-N 398.800 4.417 30 50 GIEA C[C@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12)c1ccc(-n2cncn2)cc1 328604397 JMJURCGRTAZWFJ-BPSNYSSFSA-N 392.434 4.164 30 50 GIEA C=CCn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCC3 628304 BBQNHJQHAJRDIG-UHFFFAOYSA-N 388.539 4.169 30 50 GIEA CCN(C(=O)OCc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169965095 MVDJZPADPSIBMH-UHFFFAOYSA-N 381.281 4.149 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]2C3)OC1(C)C 1875368865 SIOVXLPSAHWSKU-HTAPYJJXSA-N 397.303 4.070 30 50 GIEA O=C(C[n+]1ccccc1CCSc1ccc([N+](=O)[O-])cc1)c1ccccc1 2973234 KNPWMNNTRNNTBE-UHFFFAOYSA-N 379.461 4.100 30 50 GIEA C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCC3 628701 XKMDKNYRNXJPLF-UHFFFAOYSA-N 387.530 4.420 30 50 GIEA N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1C#N 855975 QEFAXPUDVMQLNN-UHFFFAOYSA-N 382.375 4.262 30 50 GIEA biogenic Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)n1 4999315 ZOLJAWKPYYGYIS-UHFFFAOYSA-N 394.438 4.070 30 50 GIEA C=C(C)CN1CCN(c2cc(C(C)C)nc3c(-c4ccccc4)cnn23)CC1 5325288 LBHNCCLRJIRXLX-UHFFFAOYSA-N 375.520 4.218 30 50 GIEA Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)Cc1ccc(C#N)cc1 170651066 CZDVZRFGPXYLSH-SANMLTNESA-N 383.904 4.214 30 50 GIEA COc1cc(C(=O)/C=C/Nc2ccc(Br)cc2)cc(OC)c1OC 1139134 BXEHVILYISKBQR-CMDGGOBGSA-N 392.249 4.283 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2878512 ZQAWDDJJWKPYMN-QGZVFWFLSA-N 393.428 4.228 30 50 GIEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 6819513 BPDGWADBFUGIRH-WMLDXEAASA-N 381.859 4.353 30 50 GIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 19832995 UEAHVJXFVAYRHT-CIAFOILYSA-N 393.274 4.053 30 50 GIEA C#C[C@H](OC(=O)c1cc(NC(N)=O)ccc1Cl)c1ccc(Cl)cc1F 2325823949 JMRXLPKCNWDXDJ-HNNXBMFYSA-N 381.190 4.154 30 50 GIEA C[C@@H]1CN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)C[C@@H](C)O1 1050049 YYDPYCVTMNIQCM-GHMZBOCLSA-N 382.247 4.046 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F 1201796 CFXXPOTWODJKBP-ZHRRBRCNSA-N 391.442 4.360 30 50 GIEA C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 4386004 NTAQSYUZXGIJGV-GOSISDBHSA-N 375.472 4.007 30 50 GIEA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)/C=C/c3ccccc3)c1)C2=O 4956090 WWLJELVLPFLQSG-FMIVXFBMSA-N 397.386 4.082 30 50 GIEA C[C@H](CO)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 225606999 DJCOHSGBTJBDRN-MEBBXXQBSA-N 380.673 4.151 30 50 GIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(OC)c2)C1=O 4688347 HBRDLVIWHXCECZ-LGMDPLHJSA-N 381.453 4.239 30 50 GIEA C=CCc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 5073689 POXGDXUMCZNRCN-QHCPKHFHSA-N 395.543 4.118 30 50 GIEA COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 5073759 OBPQWZNUPPSULP-WYMPLXKRSA-N 396.365 4.102 30 50 GIEA Cc1ccccc1C1(/C(O)=N/[C@@H]2CCCN(C3CCCCC3)C2=O)CCOCC1 329847926 RGQNWKGKTYKQFX-OAQYLSRUSA-N 398.547 4.323 30 50 GIEA CN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2C#N)CC1 1393437 YZUMPBDOIZAVDL-UHFFFAOYSA-N 389.890 4.087 30 50 GIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c(O)c1 2347363 QDVJWGZEWXANNZ-FYJGNVAPSA-N 381.505 4.350 30 50 GIEA O=C(/C=C1/Nc2ccccc2N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 5650194 LXTFVZWKSUDJGG-XMHGGMMESA-N 385.379 4.452 30 50 GIEA CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 1204999 UEQMROYMMXSAPU-UHFFFAOYSA-N 396.516 4.415 30 50 GIEA O=C1/C(=N\Nc2ccc(I)cc2)Sc2ccccc21 5006194 LCRXFQJZRSHMEQ-SAPNQHFASA-N 380.210 4.005 30 50 GIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 6819568 CUQAOGZOLKHPLO-ICSRJNTNSA-N 375.468 4.262 30 50 GIEA N#CC1(c2ccccc2)CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 67856093 MUZPUQDCFGMOKM-UHFFFAOYSA-N 393.494 4.454 30 50 GIEA COC(=O)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 100045753 MTPAEVBJFREPLP-RFZPGFLSSA-N 377.442 4.071 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)cc(OC)c1 241338539 MBNFAKWBDNWBIJ-GMAHTHKFSA-N 394.467 4.332 30 50 GIEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 275611931 IXBPDBDQVXWNRP-IBGZPJMESA-N 385.558 4.084 30 50 GIEA O=C1CCC(c2ccccc2)=C1CC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 827884163 JXUFCVZAKJAJBV-LJQANCHMSA-N 395.524 4.463 30 50 GIEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1F 1079504 SMDDECGZLUBREP-HNNXBMFYSA-N 380.375 4.262 30 50 GIEA Cc1ccccc1OCc1ccc(/C=N/n2c(S)nnc2-c2ccco2)o1 20617985 MRTXWQBJKJPUBG-RGVLZGJSSA-N 380.429 4.189 30 50 GIEA COc1ccc(-n2cc(C=O)c(-c3c(C)oc4cc(C#N)c(C#N)cc34)n2)cc1 1775938150 QVPJVHZNDPWFOG-UHFFFAOYSA-N 382.379 4.158 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc([N+](=O)[O-])ccc1Cl 5704405 IPIYSEOOFIFQNE-GIJQJNRQSA-N 389.824 4.060 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(Br)cc1 6166204 DMGRFXJSGPCHCO-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC(C)Cn1cc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(C(F)F)n1 888100258 BEFMAQHZNTVTQO-UHFFFAOYSA-N 387.434 4.133 30 50 GIEA CCN(CC)c1ccc(/C=N/N=C2/SCC(=O)N2c2ccc(C)cc2)cc1 1183658 RKFUISVCACQXOW-ROAQJCPQSA-N 380.517 4.311 30 50 GIEA COc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc(C)c1 4231431 VICUTUMEVWMFJC-VCHYOVAHSA-N 378.295 4.087 30 50 GIEA N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)ncc2c1CCC2 6704492 ICFKNDYKQRPENN-UHFFFAOYSA-N 377.391 4.192 30 50 GIEA CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@@H](C#N)C3)c2C)cn1 63871709 UHDAXIWJGMSVNS-KRWDZBQOSA-N 387.487 4.111 30 50 GIEA CCCCCCCCn1nnn(CCOc2ccc(Cl)cc2Cl)c1=N 102189201 CSPMMTPGMQBUMX-UHFFFAOYSA-N 386.327 4.305 30 50 GIEA Oc1ccccc1/C=N/CCN(CC/N=C/c1ccccc1O)c1ccccc1 104052566 KRFPKOOMJXCUCZ-XUWUHCBVSA-N 387.483 4.142 30 50 GIEA CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1C[C@@H]2CC[C@H](C1)N2C 286924875 GSJDEBFKELCIGH-YOFSQIOKSA-N 390.487 4.439 30 50 GIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 2055494 VDLSHUFCQCLSKO-OAQYLSRUSA-N 399.487 4.015 30 50 GIEA C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCc1cnn(C)c1 12242666 ZLLKBYVLKCUQDV-UHFFFAOYSA-N 388.924 4.111 30 50 GIEA OCCC#Cc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1 15070367 IGPODQPJDAZNGZ-UHFFFAOYSA-N 391.555 4.018 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(F)cc1 328597220 GACDKTWIBORZSE-UNMCSNQZSA-N 381.447 4.211 30 50 GIEA CCOc1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 4693000 VBPYWZJJOUDQDG-UHFFFAOYSA-N 380.469 4.333 30 50 GIEA C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccc(OCc2ccccc2)c1 19790536 UYQWKMGQNAOQLV-LGUFXXKBSA-N 385.511 4.417 30 50 GIEA COc1cc(/C=N/N2C(=O)CS/C2=N/c2ccc(C(C)C)cc2)ccc1O 64031979 WEERBYKHLLSJCS-KYPJYIKXSA-N 383.473 4.121 30 50 GIEA COc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1 1775975510 BYXBEKNFCQVWIP-SFHVURJKSA-N 378.432 4.064 30 50 GIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 3998426 WQXWYBGJIKUJQL-GOSISDBHSA-N 398.459 4.152 30 50 GIEA C=CCOc1cccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 5451061 OGIBXGPGSLVBFY-UHFFFAOYSA-N 383.835 4.227 30 50 GIEA C=CCc1cc(CN2CCC(c3ccn(C)c(=O)c3)CC2)ccc1OC(C)C 1772819674 ZAIFDPQHQSRCLN-UHFFFAOYSA-N 380.532 4.281 30 50 GIEA O=C1CCC(C#CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccn3)cs2)CC1 2325783575 IRUVWNQGCSVOJP-HXUWFJFHSA-N 393.512 4.021 30 50 GIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 9014814 XPXQHCLLKNETHA-IBGZPJMESA-N 383.419 4.213 30 50 GIEA C=CCn1c(SCCC[C@@H](C)O)nc2sc3c(c2c1=O)CC[C@H](C)C3 170612984 UJDQCXHDKBBFIM-QWHCGFSZSA-N 378.563 4.022 30 50 GIEA CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257358683 VUBSNEZHSXMUCR-ZRMLVRLBSA-N 386.532 4.225 30 50 GIEA CCOC(=O)c1sc(N=C(O)[C@H](OC)c2ccccc2)nc1C(F)(F)F 328594970 HCSAWMMQGJWPSZ-SNVBAGLBSA-N 388.367 4.314 30 50 GIEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1ccncc1 328603991 IBKPBYITCIIPCD-KUDFPVQQSA-N 392.459 4.071 30 50 GIEA CC[C@@H]1c2ccsc2CCN1C(=O)CNC1(c2cccc(C#N)c2)CCC1 2325755674 BUPACNLUZFZXCA-LJQANCHMSA-N 379.529 4.125 30 50 GIEA Cc1ccc(C2(/C(O)=N/[C@@H]3CCCN(C4CCCCC4)C3=O)CCOCC2)cc1 329827467 JCARXMLOCOFFAP-OAQYLSRUSA-N 398.547 4.323 30 50 GIEA C[C@@H]1[C@H](/N=C(/O)c2cccc(N=C(O)C3CC3)c2)CC(=O)N1Cc1ccccc1 328594409 IXIDUKNOWMOFER-FOIQADDNSA-N 391.471 4.179 30 50 GIEA O=C(N=c1ccn(CCC(F)(F)F)[nH]1)Nc1ccc(F)cc1C(F)(F)F 425648036 IHDYBYWMOHIXLZ-UHFFFAOYSA-N 384.255 4.059 30 50 GIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccs1 1128351 YGCQVXSDMKNTDS-KRWDZBQOSA-N 383.400 4.259 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1cccc(OC)c1 1440879 PQSYMEZHCDDXSL-UWJYYQICSA-N 383.419 4.066 30 50 GIEA Cc1nc(SCC(=O)NCc2ccccc2Cl)c(C#N)c(C)c1Cl 1446049 QGKHIJOUNJZTJL-UHFFFAOYSA-N 380.300 4.285 30 50 GIEA FC(F)(Br)OC(F)(F)C(F)(F)OC(F)(F)Br 95676587 AZSXACQJCQPNCO-UHFFFAOYSA-N 391.834 4.096 30 50 GIEA in-vitro CCCCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 100177465 ROIURROFJBXNOC-HTXNQAPBSA-N 396.306 4.401 30 50 GIEA Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 331397044 KVRUMRYIWBXBHJ-MRXNPFEDSA-N 381.398 4.080 30 50 GIEA C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCC)CCCC3)cc1 2668423 BRWVWZCYTPDELK-UHFFFAOYSA-N 384.501 4.194 30 50 GIEA COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N 4645096 HXHZNFAFHFRUIE-UHFFFAOYSA-N 376.437 4.473 30 50 GIEA C=CCc1ccc(OCCOCCOc2cccc3cccnc23)c(OC)c1 4701986 NFLQBODKSCLNMI-UHFFFAOYSA-N 379.456 4.446 30 50 GIEA COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1 4916302 RTLZXXQPBAOOBT-BEFAXECRSA-N 391.467 4.017 30 50 GIEA C=CCc1cccc(/C=N/[C@@H]2C(S)=NN=C2c2cccc(OC(C)C)c2)c1O 102285652 SQODMDVMQXCWCY-IYHCKTHZSA-N 393.512 4.442 30 50 GIEA COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 953492 ZZLALGCKIJDOJV-UHFFFAOYSA-N 380.425 4.160 30 50 GIEA N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C#N 2762283 ZKTPCTAXBIUACO-UHFFFAOYSA-N 399.362 4.487 30 50 GIEA C=C(C)CC[C@@H](C)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 12570631 QCNBWVVKGVLCHM-LJQANCHMSA-N 380.536 4.446 30 50 GIEA Oc1ccc2ccccc2c1C=NN1CCN(Cc2ccccc2Cl)CC1 243893394 AQTNIGVZOOKFSI-UHFFFAOYSA-N 379.891 4.351 30 50 GIEA COc1ccc(/C=N/Nc2ccc3nnc(-c4c(F)cccc4Cl)n3n2)cc1 4689668 GYGBTOCUGFANHP-SSDVNMTOSA-N 396.813 4.038 30 50 GIEA CCSC1=N/C(=C\c2ccc(OC(C)=O)c(Br)c2)C(=O)S1 4755234 FPZMCBXHRNAYGM-XFFZJAGNSA-N 386.292 4.098 30 50 GIEA COCc1cc(C)nc(SCC(=O)Nc2cccc3c2CCCC3)c1C#N 6677999 OYRRLCKQCUGFQY-UHFFFAOYSA-N 381.501 4.018 30 50 GIEA Cc1cc(C)c(CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)[nH]2)c(C)c1 8548854 YYDGPJHHDWEGNU-KEBDBYFISA-N 396.476 4.376 30 50 GIEA C(#CC1CC1)c1cccc(-c2nc(Cc3ccncc3)nn2C[C@@H]2CCCCO2)c1 1875347682 CFWPIVFWCGFHIF-QHCPKHFHSA-N 398.510 4.262 30 50 GIEA C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 4212221 ATLJNLYIJOCWJE-CWMZOUAVSA-N 384.516 4.258 30 50 GIEA biogenic,in-man Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]c1CC(C)C 4625815 KGKMHEFDHWGNDS-UHFFFAOYSA-N 388.562 4.459 30 50 GIEA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](C#N)C2)cc1 72412469 XOUBOKSKEGFSCK-QGZVFWFLSA-N 390.462 4.423 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F 244866427 VWBAYPZVCVNMJW-ZRBLBEILSA-N 381.447 4.224 30 50 GIEA Cc1nc(CC2CC2)sc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 330037670 ZJSJQMYIUYQSQZ-LBPRGKRZSA-N 398.454 4.187 30 50 GIEA C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)SC1=S 1120246 ZVTPRYLODPVPHI-ATVHPVEESA-N 399.468 4.432 30 50 GIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 2069397 YLEJOHKQTBYRDW-NRFANRHFSA-N 381.472 4.171 30 50 GIEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 4906494 SZTYDZJNVNHLKM-HXUWFJFHSA-N 379.456 4.035 30 50 GIEA CCn1ncc(Br)c1/C=C/C(=O)c1ccc(Br)cc1 6556020 ZZRHOTRCOBQUJA-BQYQJAHWSA-N 384.071 4.324 30 50 GIEA C=CCOc1ccc(Cl)cc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772818238 ASRRTPJOOUAHQM-UHFFFAOYSA-N 379.847 4.043 30 50 GIEA Cc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Br)s1 5647722 RPGGPGZOYYGDRI-LZYBPNLTSA-N 379.308 4.248 30 50 GIEA COc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 12524134 NBVZVCGNWUPXLQ-YTFSRNRJSA-N 395.462 4.076 30 50 GIEA COc1ccc(-c2ccc(C)c(N=C(O)N3CCC[C@H]3[C@@H]3CCCO3)c2)cn1 329075312 BTTYNGKJHXXXNK-PMACEKPBSA-N 381.476 4.255 30 50 GIEA O=C1/C(=C\NCc2ccc(F)cc2)Nc2ccc(Br)c(Cl)c21 100415093 WOQSVWLREOWALN-MDWZMJQESA-N 381.632 4.481 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccc(C)c1 225506359 DJNVJPXIMDCSLQ-OFNKIYASSA-N 394.467 4.332 30 50 GIEA N#Cc1cnc2c(Cl)cccc2c1NCc1cccc(N2CCCC2=O)c1 1458111231 QZOZQJIQGCDYIS-UHFFFAOYSA-N 376.847 4.499 30 50 GIEA CCN(CC)CC#CC[C@](O)(c1ccccc1)c1ccc(Br)cc1 1825782 BIVQRTYNZAKORQ-NRFANRHFSA-N 386.333 4.420 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1c(O)ccc2ccccc12 2509431 JUZSXCUDTUKBBB-CIAFOILYSA-N 376.441 4.357 30 50 GIEA CCCSC1=N/C(=C\c2cc(OC)c(OC(C)=O)cc2Cl)C(=O)S1 4914283 ARRZTMTYJVXQEH-SDQBBNPISA-N 385.894 4.387 30 50 GIEA CCOc1ccc(-c2nnc(S)n2N/N=C/C(Cl)=C/c2ccccc2)cc1 6845206 AJFAYBAZUFLVCT-WMODRVCGSA-N 399.907 4.442 30 50 GIEA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2ccc(C#CCCO)cc2)c1C 12441553 PFARLZYCRLRDKO-DEOSSOPVSA-N 399.538 4.390 30 50 GIEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 17078123 HUKUUQJBDHCEPT-QQHUYRGFSA-N 382.485 4.371 30 50 GIEA FC(F)(F)c1cc(N/N=C2/CC[C@@H]3[C@H](C2)C3(F)F)nc(-c2cccnc2)n1 2325770994 JHSIVUGJXFVLQY-FNXXNBMTSA-N 383.324 4.391 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 5107472 DNDPSOYCAILILI-OAQYLSRUSA-N 377.400 4.122 30 50 GIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Br)c2)c1 5932611 JAEHTRDKQDCFGP-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA O=[N+]([O-])c1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl 19791115 JDXQJIBNORCLCN-CIAFOILYSA-N 393.274 4.053 30 50 GIEA C#CCCC1(CCC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)N=N1 2325892318 IYJMLHWTXLQBBP-UHFFFAOYSA-N 381.505 4.069 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc(CC)cc2c1=O 909630 WQTRRLCOBFAKKZ-UHFFFAOYSA-N 399.541 4.246 30 50 GIEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)n1ncnc1N2 4866575 ZJIBDAMRTPNERW-SGTLLEGYSA-N 382.876 4.409 30 50 GIEA Cn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 5359793 AVMZPKXPCAEBSB-GFCCVEGCSA-N 388.562 4.235 30 50 GIEA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC/C2=N/O 13475879 BADSTORRMJHCDD-BKUYFWCQSA-N 392.864 4.345 30 50 GIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccccc1C 6743968 CSWGUUMGFBISDM-UHFFFAOYSA-N 378.432 4.274 30 50 GIEA Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccco2)sc1C 6812806 SZTDNHPONXAGOX-AWEZNQCLSA-N 386.454 4.197 30 50 GIEA C=C(Cl)Cn1c(=O)c(CN2CCC[C@H](C)C2)cc2cc(OC)c(OC)cc21 12100310 ATAWGMXIVINNTN-AWEZNQCLSA-N 390.911 4.003 30 50 GIEA O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 15776583 WIPUXMZYIIUGPP-UHFFFAOYSA-N 382.073 4.012 30 50 GIEA COc1ccc(N=C(O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)cc1F 328606015 QDKSWAADMTUEEH-UWJYYQICSA-N 395.434 4.445 30 50 GIEA CC(C)(O)C#Cc1cccc(C(=O)N(Cc2ccccn2)C2CCCCC2)c1 952982491 ADICPLMVBZDFCZ-UHFFFAOYSA-N 376.500 4.179 30 50 GIEA COc1ccc(O)c(/C=N/Nc2nc3ccccc3nc2Cc2ccccc2)c1 4092164 KSYZEJIQZNCEAW-BUVRLJJBSA-N 384.439 4.381 30 50 GIEA C#CCOc1ccc(Br)cc1CNCCc1ccc2[nH]ccc2c1 1474122746 FXHYEKVDEJMSQM-UHFFFAOYSA-N 383.289 4.275 30 50 GIEA Cn1ccc(C(=O)/C=C\c2ccc(COc3cccc(Br)c3)o2)n1 6828256 JZAQYTPXVXLSIW-FPLPWBNLSA-N 387.233 4.251 30 50 GIEA C=CCn1c(SCCCC(=O)N2CCCCC2)nnc1-c1cccc(C)c1 170605540 WCAURWYXNVFQSC-UHFFFAOYSA-N 384.549 4.324 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Br)cc2)cc1 5578665 VPSQADVHEYIGFJ-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CCOc1ccc(C/N=C(/O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1OC 328607703 WQPGOZSNANAROF-JXFKEZNVSA-N 387.480 4.106 30 50 GIEA Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1 1105539 DWIMQCUOPJELQO-NGYBGAFCSA-N 383.658 4.320 30 50 GIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 1187498 KMBRXIOEAKFHLA-ZHRRBRCNSA-N 377.440 4.123 30 50 GIEA C=CCOc1cccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 2087059 KKOJOXQSQGVDJY-SFHVURJKSA-N 378.457 4.328 30 50 GIEA COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)cc1 2730211 DQAASANCZGVMLL-HOTGVXAUSA-N 398.484 4.433 30 50 GIEA O=C(O)/C=C/C(=O)Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F 3210269 UUJSQLOXJSGEPC-AATRIKPKSA-N 391.264 4.148 30 50 GIEA C=C(C)COc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 12379180 GASGJZWUWWLQSD-UHFFFAOYSA-N 383.835 4.275 30 50 GIEA N#Cc1cccnc1N1CCC(n2ccnc2-c2ccc3cccc(F)c3n2)CC1 1857685641 NLORTLOAJQXAHV-UHFFFAOYSA-N 398.445 4.346 30 50 GIEA C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccc(OC)c(O)c1Cl 55393372 KYHDCRCJQMAZSE-UHFFFAOYSA-N 385.851 4.292 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(C)c1 170615231 IBJWFGBPTCFLQP-FYYLOGMGSA-N 394.467 4.332 30 50 GIEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@H](C)COc2cccc(F)c2)cn1 328628122 NIQRMPLHPHCTJF-MDASCCDHSA-N 375.444 4.105 30 50 GIEA CS(=O)(=O)C1(C/N=C(/O)N2CCCCC[C@H]2c2ccc(Cl)cc2)CCC1 330026500 LNEWDFUHVDFYHF-KRWDZBQOSA-N 398.956 4.138 30 50 GIEA CCN(CC)CCCNc1c(CCC#N)c(C)c(C#N)c2nc3ccccc3n12 4674833 FVZFPVRISHAXIG-UHFFFAOYSA-N 388.519 4.268 30 50 GIEA O=C(O)c1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1 4739973 ZKRSUVJOQKUBIN-UHFFFAOYSA-N 384.387 4.426 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4cnn(-c5ccc(F)cc5)c4)C[C@@H]2C3)OC1(C)C 1875368868 SIOVXLPSAHWSKU-JTSKRJEESA-N 397.303 4.070 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Br)c2)cc1 1473642 DKOVRJBLXCUCGF-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C21C(=O)Nc2ccccc21 3208757 SFCRMOFRELJPRI-UHFFFAOYSA-N 391.467 4.193 30 50 GIEA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(/C=C/C(=O)c3ccccc3)cc1)C2=O 4187475 KLXAQNORHSCOFZ-MDWZMJQESA-N 397.386 4.082 30 50 GIEA CCOc1ccc(S(=O)(=O)/N=C(\NC2CCCCC2)c2ccccc2)cc1 4247668 FZPVVFQXMISBKA-UHFFFAOYSA-N 386.517 4.143 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2sccc2C)C2=C(CCCC2=O)N1 4619009 VULKTCWXKVCBLB-IBGZPJMESA-N 379.485 4.058 30 50 GIEA COc1ccc(C(=O)/C=C/c2ccccc2OC)c(OC(=O)c2ccco2)c1 4833462 DCCOZHJWAKSQEL-FMIVXFBMSA-N 378.380 4.412 30 50 GIEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)cc1 17077890 HSWPXAXWKUKCRX-HLBVEJKMSA-N 380.897 4.262 30 50 GIEA CCOc1cc(C#N)cc(I)c1OCc1ccccc1F 4813632 FOTYQOUDDRFORT-UHFFFAOYSA-N 397.187 4.280 30 50 GIEA CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(Cl)cc1)C(C#N)C#N 4996423 DFSPIENFHZPDDV-RTBURBONSA-N 383.810 4.070 30 50 GIEA CN1CCC[C@H]1CCn1cnc(-c2ccccc2)c1-c1ccc(C#CCO)cc1 65409569 VBBSGLMEPPGVQR-QHCPKHFHSA-N 385.511 4.045 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2113544 LAANKXXOGICTHM-GOSISDBHSA-N 396.497 4.322 30 50 GIEA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2ccc(C#CCCO)cc2)C1 12112228 FDBOEQINLBHLSV-XMMPIXPASA-N 399.538 4.410 30 50 GIEA Cc1csc(C2(/N=C(/O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)CCC2)n1 329318021 SRBBWUCOYSUTBI-INIZCTEOSA-N 383.517 4.457 30 50 GIEA CC[C@H](C)n1ncc(/C(O)=N/[C@H]2CCCN(C3CCCCC3)C2=O)c1C1CC1 329815860 DQLCHOVOYLMQTC-KXBFYZLASA-N 386.540 4.360 30 50 GIEA CN(Cc1cccc(-n2cccn2)c1)C(=O)CC1=C(c2ccccc2)CCC1=O 1506431520 NOLVTRRYVKGONH-UHFFFAOYSA-N 385.467 4.038 30 50 GIEA COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccncc3)CC(=O)O4)C2=O)cc1 217657756 CYPBXOZNIAAXCL-BDBXIWDTSA-N 399.402 4.147 30 50 GIEA biogenic N#Cc1cccc(C2(NCc3cn4ccc(Br)cc4n3)CCC2)c1 2325755935 VLDIREVDRMDSQU-UHFFFAOYSA-N 381.277 4.137 30 50 GIEA N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)nc1N1CCOCC1 1383197 LGBOMYMQWRGUDZ-UHFFFAOYSA-N 388.496 4.144 30 50 GIEA C=CCCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC)C1 14885358 YIHOIOVGLVVHBZ-UHFFFAOYSA-N 397.471 4.067 30 50 GIEA CCCCOc1ccc(/C=N\Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 32492051 ZGERMSIBBMSEOH-HMAPJEAMSA-N 378.480 4.212 30 50 GIEA CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3C)C3=C2CCCC3=O)s1 1445790 HRDNYLXRDDGDFC-AWEZNQCLSA-N 399.541 4.486 30 50 GIEA C#CCOc1ccccc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 2999812 WXJLNFHRNUUWTA-UHFFFAOYSA-N 375.468 4.132 30 50 GIEA O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)n1ncnc1N2 4866570 ZJIBDAMRTPNERW-KPZWWZAWSA-N 382.876 4.409 30 50 GIEA N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC3(CCOC3)C2)cc1Cl 296813513 YYTUROFTLOUVAA-GOSISDBHSA-N 381.863 4.250 30 50 GIEA C[C@@H](/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12)c1ccc(-n2cncn2)cc1 328604398 JMJURCGRTAZWFJ-JSVDNDDVSA-N 392.434 4.164 30 50 GIEA C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1875266598 FKEVQFYMXZDTQG-CGTJXYLNSA-N 388.471 4.044 30 50 GIEA C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccncc1 778525 GONQTXBIBDVDPK-UHFFFAOYSA-N 393.516 4.128 30 50 GIEA C=CCOc1ccccc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 2844753 HRQSUUMPOVYJAA-GDNBJRDFSA-N 384.775 4.158 30 50 GIEA O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 5816335 BFVJYQBVPVWJDQ-XZKWLNOSSA-N 375.381 4.250 30 50 GIEA CN(C)/C=C/C(=O)C1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 72233844 VDFFMFCGSUKBRU-FMIVXFBMSA-N 392.927 4.253 30 50 GIEA C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328607530 WFTHDAWEHNOGSM-AYPBNUJASA-N 385.471 4.118 30 50 GIEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 1857798950 HEJNZTNLLXBFJZ-RBUKOAKNSA-N 375.428 4.317 30 50 GIEA COc1ccnc(-n2cccc2/C=N/OCc2c(F)cccc2Cl)c1C#N 4024598 BSLFCPYXOBGSKJ-BHGWPJFGSA-N 384.798 4.096 30 50 GIEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 3970313 SMHKIZYJELWBBQ-HXUWFJFHSA-N 393.874 4.342 30 50 GIEA COc1ccc(N/C(N)=N/c2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 6275051 KZNYYCFILXWVBB-UHFFFAOYSA-N 393.394 4.291 30 50 GIEA C=CCn1c(CNC(=O)c2sccc2C)nnc1SCc1cccc(C)c1 14996084 WHSBXFAKGYXLQL-UHFFFAOYSA-N 398.557 4.365 30 50 GIEA C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 15011395 YHZLEYJHGNBPKA-BJMVGYQFSA-N 390.711 4.195 30 50 GIEA COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1Cl 95520196 BDKGQSVKWGWUSN-HNNXBMFYSA-N 398.894 4.251 30 50 GIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)cc1OC 4914400 IFNONTKKZKGTJL-SJLPKXTDSA-N 391.467 4.017 30 50 GIEA CCN(CC)CCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 5190332 OIBRBNHCERXSSQ-UHFFFAOYSA-N 375.520 4.382 30 50 GIEA CCOc1ccc([C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 245257220 XEOYUMVCLDBUCV-VJBWXMMDSA-N 383.451 4.201 30 50 GIEA C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 252537250 KUBSBHXLTORJOJ-YJYMSZOUSA-N 387.842 4.195 30 50 GIEA C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 303192362 MQHZOYGGPPTZFK-PKNBQFBNSA-N 385.419 4.279 30 50 GIEA CC(=O)c1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 4859650 LQOQHDUNLVZNGP-UHFFFAOYSA-N 378.453 4.137 30 50 GIEA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\Nc1cccc2cccnc12 4963289 XRNPNZFXPQWYEX-QJOMJCCJSA-N 395.260 4.098 30 50 GIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1Br 6166213 VSYLCWMSVAJIRE-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA C=CCN1C(=O)[C@@H](Cc2cccc(C)c2)S/C1=N/c1ccc(C(=O)O)cc1 13617447 FXKAWMNMNUOWAV-KHOFPDMRSA-N 380.469 4.053 30 50 GIEA CCCC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1CCCC 13843019 FBDHWBRGKZJNCB-UAFUQJIBSA-N 375.538 4.224 30 50 GIEA C(=NN1CCN(Cc2ccccc2)CC1)c1cccc(OCc2ccccc2)c1 19790535 UYQWKMGQNAOQLV-UHFFFAOYSA-N 385.511 4.417 30 50 GIEA Cc1cc(-c2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)nc(C)c1C#N 584894356 HERPBKONKLPEHY-HXUWFJFHSA-N 377.488 4.268 30 50 GIEA O=C(/C=C\c1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 16115581 PZNMLJIQGSBDRM-JUXNATCKSA-N 397.474 4.136 30 50 GIEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)cc1 65503827 HCIFWOOALOZZSJ-UHFFFAOYSA-N 394.474 4.102 30 50 GIEA N#Cc1ccccc1CN1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 2100547716 NKYXKKCMRZVYPO-UHFFFAOYSA-N 396.494 4.201 30 50 GIEA CC1(C)OB([C@@]23CCN(Cc4csc(-c5ccccn5)n4)C[C@H]2C3)OC1(C)C 1776003203 YBBQZMHLXSFSPP-QVKFZJNVSA-N 397.353 4.263 30 50 GIEA N#Cc1c(NC(=O)Cn2nc(C(F)F)cc2C(F)F)sc2c1CCCC2 650774 XIXIMPJRQPIMAP-UHFFFAOYSA-N 386.374 4.209 30 50 GIEA Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)o1 1121116 PAPIPFQVMCREPT-GOSISDBHSA-N 381.359 4.099 30 50 GIEA CN(C)/C=N/n1cnc2scc(-c3ccc(Cc4ccccc4)cc3)c2c1=O 2679594 LTYWOFAXIBUOJK-BUVRLJJBSA-N 388.496 4.069 30 50 GIEA Cc1oc(-c2cnn(C)c2)nc1/C(O)=N/[C@H]1CC(C)(C)Oc2cc(F)ccc21 330081934 AMXUDUZJIIGWGT-HNNXBMFYSA-N 384.411 4.130 30 50 GIEA C=C(C)CNC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826833 NSCZEBQCDMCGCA-JOCHJYFZSA-N 391.515 4.290 30 50 GIEA CC(=O)Nc1ccccc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 638243 DLDZURQRVPPTKW-UHFFFAOYSA-N 385.514 4.188 30 50 GIEA CO/N=C\Cc1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N 5320070 DBEUQFFXDQVMNJ-DYUKFFQPSA-N 392.815 4.408 30 50 GIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 2882730 KVCRZCUMAWRTFI-SFHVURJKSA-N 378.457 4.328 30 50 GIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 6819766 ZSAYYKPKXZVFKW-XLIONFOSSA-N 391.467 4.098 30 50 GIEA O=C(O)c1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 1478101 JAMXTPQUDPHCFG-UFWORHAWSA-N 393.255 4.121 30 50 GIEA Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@@H]1CCCN21 222013006 YJIXINHNAUQTTF-URXFXBBRSA-N 394.482 4.044 30 50 GIEA C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@]2(C1=O)[C@@H](C)CCC[C@H]2C 239869309 CYCDXTRIZOSDNU-BDQBCWGISA-N 395.956 4.094 30 50 GIEA C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 4700729 RDNLAHODIHORRL-UHFFFAOYSA-N 390.940 4.326 30 50 GIEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)COc1ccc(Cl)cc1Cl 4725379 CDMYJZHTVZUUQJ-UHFFFAOYSA-N 387.650 4.084 30 50 GIEA CCSC1=N/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)S1 4755146 LYBQBKJGCWNKGB-POHAHGRESA-N 388.308 4.190 30 50 GIEA CSc1ccc([C@H](C(C#N)C#N)[C@@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 4996429 KEAKKIJXQFDIKG-WOJBJXKFSA-N 395.459 4.138 30 50 GIEA Cn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 5359798 AVMZPKXPCAEBSB-LBPRGKRZSA-N 388.562 4.235 30 50 GIEA CN(C)CCO/N=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257358567 VDVFPECJIDUPKS-FETQJMKBSA-N 376.585 4.324 30 50 GIEA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3C#N)CC2)C1 96132774 DQJNVWRYMSQKRE-JOCHJYFZSA-N 387.527 4.290 30 50 GIEA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 170642824 QOWJBSBIUPSFNO-BFUOFWGJSA-N 382.485 4.446 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1 4285986 TUOVADQILVUBPI-UHFFFAOYSA-N 386.427 4.140 30 50 GIEA COc1ccc(/C(N)=N/OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 4898705 AWJGPIPPBRCLLA-UHFFFAOYSA-N 397.258 4.025 30 50 GIEA CCN(CC)c1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 244734911 NNVUKSRBNFSAPE-UHFFFAOYSA-N 386.927 4.048 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 637339 WGZLEZZPENIEJC-FQEVSTJZSA-N 388.423 4.070 30 50 GIEA C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccco1 5101255 ZEYPARHZWPBPSX-YVJZOELXSA-N 390.852 4.114 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@H]1Cc1cccc(Cl)c1 12843724 HHKKZZFMGBMEIT-VYXQJKENSA-N 378.284 4.158 30 50 GIEA CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCCC2)s1 65387356 OGCXQAMYCSSHPW-MRXNPFEDSA-N 383.517 4.046 30 50 GIEA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3Cl)C[C@H]21 225466367 DMEYGMPQWUWJKV-XGWLTEMNSA-N 393.890 4.086 30 50 GIEA N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccc(Br)c1 230136416 HXNUJUOBNNISDP-LZWOXQAQSA-N 391.215 4.212 30 50 GIEA C#CCCC1(CCC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)N=N1 2325892383 LKCZZQRYBXXNNR-UHFFFAOYSA-N 392.459 4.245 30 50 GIEA COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 3372252 NGCWNEMAMBVVRY-UHFFFAOYSA-N 386.411 4.471 30 50 GIEA O=C(/C=C/c1cccs1)c1cc(Cl)ccc1OC(=O)N1CCOCC1 4184795 YWPHLHGEWSHSEU-SNAWJCMRSA-N 377.849 4.129 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F 102696687 VWBAYPZVCVNMJW-VJBWXMMDSA-N 381.447 4.224 30 50 GIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OC(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 257357760 PTARAGMFTGDAST-YJIPGYPFSA-N 390.520 4.024 30 50 GIEA O=C1[C@@H](/N=C(/O)CCc2ccnc3ccccc23)CCCN1C1CCCCC1 329807383 ABLBVFCDBFPPDA-NRFANRHFSA-N 379.504 4.448 30 50 GIEA C=CCc1cccc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc12 4626100 PMZYQBVFMLGJBV-MRXNPFEDSA-N 399.450 4.198 30 50 GIEA CCN(CC)c1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c(O)c1 244691947 JLSVESCSMSAXAB-UHFFFAOYSA-N 394.563 4.007 30 50 GIEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCSC2(CCOCC2)C1 328710575 RCBVBQQNXCCJPS-UHFFFAOYSA-N 397.544 4.124 30 50 GIEA C=CCc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(OC)c1O 1139342 JFWWIVWRVLMROR-LLVKDONJSA-N 382.485 4.219 30 50 GIEA Cc1nccn1CC[C@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O 1506415877 BGCCYOFRDAWZHL-HXUWFJFHSA-N 391.515 4.170 30 50 GIEA Cc1ccc(/N=C2\NC(=O)/C(=C3/C(=O)Nc4c(C)cccc43)S2)cc1Cl 100987752 KXFCWHWKNMSNNB-PEZBUJJGSA-N 383.860 4.171 30 50 GIEA C[C@@H]1Oc2ccccc2[C@@H]1/N=C(/O)N[C@@H]1c2ccccc2CC12CCOCC2 329548881 BJBYHHFAYZKVCN-IWMITWMQSA-N 378.472 4.106 30 50 GIEA Cc1nc(SCCC(=O)Nc2ccccc2C#N)nc2cc3c(cc12)CCC3 2884397 LSMGFIXEZBMQAR-UHFFFAOYSA-N 388.496 4.420 30 50 GIEA COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 5073515 KXJJFQNXKKOCPD-WYMPLXKRSA-N 396.365 4.102 30 50 GIEA C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccco1 5101254 ZEYPARHZWPBPSX-MNUWJXFPSA-N 390.852 4.114 30 50 GIEA C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 32299220 LNEDNZUQKOGNLJ-UHFFFAOYSA-N 393.439 4.446 30 50 GIEA COc1ccc([C@@H]2CC(=O)c3cc(C#N)c4nc5ccccc5n4c3C2)cc1OC 170624016 JRBOYUFXWMAXRO-HNNXBMFYSA-N 397.434 4.289 30 50 GIEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 252429490 UXYIWZHCDKVEKE-UHFFFAOYSA-N 381.461 4.322 30 50 GIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cc(OC)cc(OC)c1 253432926 PXEBHSBOBDOISD-JTHBVZDNSA-N 394.467 4.332 30 50 GIEA CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(C)n[nH]c1C 4713671 KJUFIXSCDZLAOW-FESQGUELSA-N 385.518 4.021 30 50 GIEA C=CCSc1ccccc1N1CCN(CCCCCOC(=O)NCC)CC1 96026625 VKCLGUFSBGKFBM-UHFFFAOYSA-N 391.581 4.003 30 50 GIEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 208474072 MMKWGOXIOOLYTC-WMZOPIPTSA-N 390.487 4.196 30 50 GIEA C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 252537248 KUBSBHXLTORJOJ-DJJJIMSYSA-N 387.842 4.195 30 50 GIEA N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)N1CCCCC1 1857798467 IBCQNGUSRARNFI-KRWDZBQOSA-N 379.489 4.309 30 50 GIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1C1CC1 986247 XLSDKWJWCWZBON-UHFFFAOYSA-N 383.304 4.379 30 50 GIEA C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OCC 2820828 GHXYUIAENCSJKG-JXAWBTAJSA-N 394.496 4.255 30 50 GIEA CCCNC(=O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 113778793 GUNYYPLLQPAPHK-UHFFFAOYSA-N 383.395 4.159 30 50 GIEA C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)o2)CCN1c1ccc(F)cn1 1857674414 HKRDSIXJTJKKGT-MRXNPFEDSA-N 376.435 4.063 30 50 GIEA CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 709769 BKCOPLUKZDDUIR-UHFFFAOYSA-N 379.790 4.229 30 50 GIEA COc1cccc(COc2ccccc2/C=N/NC(=S)NC2CCCCC2)c1 4210796 QEWLUBQNIGYXEG-HZHRSRAPSA-N 397.544 4.405 30 50 GIEA O=C(Nc1nc(/N=C(\O)c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 2320482 GFQQPQUENQSFFY-UHFFFAOYSA-N 383.411 4.156 30 50 GIEA Cn1c2ccccc2c2cc(/C=N\NS(=O)(=O)c3ccc(Cl)cc3)ccc21 32465131 WMSCOGBECUAFKO-XKZIYDEJSA-N 397.887 4.297 30 50 GIEA C[C@H](c1cccnc1)N(CC1CCOCC1)c1nc(C(F)(F)F)ccc1C#N 225751806 QNLNKEWGBLAPSY-CQSZACIVSA-N 390.409 4.361 30 50 GIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])o1 18244458 XNJMHGPOJZEGRY-HXUWFJFHSA-N 395.415 4.351 30 50 GIEA Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc([N+](=O)[O-])cc2)cc1 254479061 RKXYCCSNGOPIRU-UHFFFAOYSA-N 395.440 4.455 30 50 GIEA COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC 1460131 WTIRZANOODVIMZ-OAQYLSRUSA-N 375.428 4.076 30 50 GIEA CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 2603084 PFJJDGMZOHUBLL-INIZCTEOSA-N 389.879 4.219 30 50 GIEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 5446334 DCGRXFWBXNQDAP-NRFANRHFSA-N 384.435 4.169 30 50 GIEA COc1ccc(-c2cc[n+](CC(=O)c3ccc4ccccc4c3)cn2)cc1OC 6232881 FJXCDYDPIWKNDJ-UHFFFAOYSA-N 385.443 4.089 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(C)cc1 225506865 JOFWFVCZYOQVJA-CTNGQTDRSA-N 379.412 4.223 30 50 GIEA O=[N+]([O-])c1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 239038709 DSGFJXHFTVQCQA-UHFFFAOYSA-N 394.243 4.331 30 50 GIEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2 880792654 GFMCPOUBFSTUTJ-AEFFLSMTSA-N 392.484 4.034 30 50 GIEA N#C[C@@H](C(=O)c1ccc(C2CC2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 1875277945 OTWVCRBPFVDAHE-LBPRGKRZSA-N 379.441 4.236 30 50 GIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2874306 MVVWQIFGLFTBIW-QGZVFWFLSA-N 393.428 4.228 30 50 GIEA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)o1 13510949 WVUOKHPEMKVNKR-ATVHPVEESA-N 390.351 4.208 30 50 GIEA C=CCOc1c(Cl)cc(CNCc2ccc(C(=O)NC)cc2)cc1Cl 55307430 KUUCQWJERZRKDS-UHFFFAOYSA-N 379.287 4.208 30 50 GIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@@H]3CC[C@@]21C 263617574 ONKUMRGIYFNPJW-VUICWQFOSA-N 384.516 4.426 30 50 GIEA in-vitro CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCC 4993364 LBKNYJAZKSCERK-FQEVSTJZSA-N 389.451 4.217 30 50 GIEA O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Cl)cc1 5048604 ISXYXTOWIYQNTK-IXJMWADBSA-N 378.284 4.158 30 50 GIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 102696685 VWBAYPZVCVNMJW-ZLNRFVROSA-N 381.447 4.224 30 50 GIEA CC(C)(C)C(=O)N1CCC(=NOCc2cc(Cl)c3c(c2)OCCCO3)CC1 170638635 LAQPMMGGXQBNHU-UHFFFAOYSA-N 394.899 4.042 30 50 GIEA CC1(C)OB([C@]23CCN(Cc4ccnn4-c4ccc(F)cc4)C[C@H]2C3)OC1(C)C 1875368757 NYYLJEMFVNVYOR-ZHRRBRCNSA-N 397.303 4.070 30 50 GIEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2Br)n1 622679 KYPFQKWRVBYUCA-UHFFFAOYSA-N 376.279 4.063 30 50 GIEA C=CCSc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 2871749 OSTOYKQTVKOIDZ-UHFFFAOYSA-N 380.545 4.157 30 50 GIEA Sc1nnc(-c2ccccn2)n1/N=C/c1cccc(OCc2ccccc2)c1 6061359 NCDLACNCSYPXSA-OEAKJJBVSA-N 387.468 4.090 30 50 GIEA CC(C)Cc1ccc(CN2CCC[C@H](NCc3ccc(C#CCO)s3)C2)cc1 20472705 BWMKKKLUSDHHBS-QFIPXVFZSA-N 396.600 4.045 30 50 GIEA CC1(C)OB(c2cccc(COc3ccccc3Br)c2)OC1(C)C 385017064 YSXPEPYQZVWRFT-UHFFFAOYSA-N 389.098 4.327 30 50 GIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)ccc1OC 170615399 WBLWRBGDHUJOGL-OFNKIYASSA-N 394.467 4.332 30 50 GIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Br)cc1 1297654 MBFDEURHFRSBLY-VCHYOVAHSA-N 389.278 4.261 30 50 GIEA C=CCN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3)c2)SC1=S 4478020 XPYFWNASLZQSPP-GHRIWEEISA-N 381.478 4.293 30 50 GIEA C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc21 32593367 LAFWRRBUVWJXQZ-UHFFFAOYSA-N 376.412 4.213 30 50 GIEA C=CCn1c(S[C@H](C)c2noc(-c3ccccc3)n2)nnc1-c1ccncc1 170610410 LECSTDVHCRUAOZ-CQSZACIVSA-N 390.472 4.429 30 50 GIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21 20604818 KHIKNLJKKOHDQE-UHFFFAOYSA-N 375.400 4.253 30 50 GIEA CCn1cc(CN2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cc1C#N 71730218 DZRUBYMIUJBOPP-HSZRJFAPSA-N 375.472 4.115 30 50 GIEA O=S1(=O)CCC2(CC1)C[C@@H]2C(O)=Nc1cc(Cl)ccc1OCC1CCC1 328890797 RXJOHRAAJLYIQE-OAHLLOKOSA-N 397.924 4.322 30 50 GIEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n[nH]1 471504055 QPTUWZIKUIPSMR-SNVBAGLBSA-N 386.399 4.005 30 50 GIEA N#Cc1ccc(CN2CCC(c3ccccc3CO)CC2)c(Br)c1 2325749108 OYPOPWVPSXHXKE-UHFFFAOYSA-N 385.305 4.193 30 50 GIEA COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)O)n2)cc1 722084 PORPGZWBHAMTPH-UHFFFAOYSA-N 376.437 4.473 30 50 GIEA N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1C(F)(F)F)CCC2 2998834 OAVQCUBKXHZLEO-UHFFFAOYSA-N 377.391 4.192 30 50 GIEA C(=N/Nc1ccccc1Oc1ccccc1)\c1cnc(N2CCOCC2)s1 4084975 XTIMUKJTFHEPMN-PXLXIMEGSA-N 380.473 4.218 30 50 GIEA COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1 20606225 MISIIQDPFZXAMH-HXUWFJFHSA-N 395.430 4.355 30 50 GIEA CCCCCCCCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 103009744 JECHVCHGXWNCIZ-UHFFFAOYSA-N 391.523 4.454 30 50 GIEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 239165115 NLRQUOZYFXVGBH-UHFFFAOYSA-N 381.461 4.322 30 50 GIEA CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(O)c(O)c1 898939 YUOJGHZSNWJZJN-PZJWPPBQSA-N 387.435 4.140 30 50 GIEA O=c1c2c3c(sc2ncn1/N=C/c1cc(Cl)cc(Cl)c1O)CCCC3 2310001 OWFYYLBBUAOJNF-QPSGOUHRSA-N 394.283 4.231 30 50 GIEA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 245238741 AKMGOLMVBIBATQ-SRAQTTBSSA-N 382.548 4.386 30 50 GIEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1 253414233 WVZVPOQLIAJSRX-HPKGMJOESA-N 388.375 4.345 30 50 GIEA biogenic O/C(=N/[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCO[C@@H](c2cccc(O)c2)C1 329988491 HGPXVDYCPYCJIU-YVWKXTFCSA-N 386.879 4.279 30 50 GIEA