smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(C[C@H]2S/C(=N\N=C\c3cccc4ccccc34)NC2=O)c1 4712956 HEZZDYQMGZYVNA-RXULLKCLSA-N 373.481 4.312 30 50 FIEA CCn1nccc1C(=O)/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1 6490109 GYWFCKQLZLZWCB-ZHACJKMWSA-N 362.429 4.460 30 50 FIEA C=CCOc1c(Cl)cc(CN(C)[C@@H](C)c2ccncn2)cc1OCC 55269864 AHOKAVXRQPVZBQ-AWEZNQCLSA-N 361.873 4.287 30 50 FIEA CCCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 137084239 YZBAMTUXUHIYCQ-SFHVURJKSA-N 353.503 4.078 30 50 FIEA in-vitro CSc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 238937472 VSPYOMHNIGPCBZ-UHFFFAOYSA-N 359.926 4.214 30 50 FIEA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426658175 GCXXXTBIMXGIBM-LJQANCHMSA-N 352.409 4.005 30 50 FIEA C=CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 4695270 LQELCDBVIAHTCD-UKTHLTGXSA-N 368.252 4.070 30 50 FIEA C=C1C[C@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)O 27640066 VKEJXDXJUFQESA-SFIVEXQWSA-N 350.499 4.238 30 50 FIEA in-vitro CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O 100071914 VMSLCPKYRPDHLN-OAQYLSRUSA-N 362.466 4.252 30 50 FIEA biogenic,in-vitro N#CC1CCN(C(=O)c2cccc(-c3cccc(CN4CCCC4)c3)c2)CC1 426419903 DADPEBUXZRCLEU-UHFFFAOYSA-N 373.500 4.325 30 50 FIEA N#CCCCN1C(=O)CCc2cc(NC3CC(c4cccnc4)C3)ccc21 2325799316 LZHBVKWQLRESRL-UHFFFAOYSA-N 360.461 4.023 30 50 FIEA Cc1c(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)cnn1C 6527518 CIRZVYVCENJFBI-DJKKODMXSA-N 358.854 4.446 30 50 FIEA C=CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CC)SC1=S 13206211 SBILDPOTLYMYIE-BMJMZVRVSA-N 360.529 4.390 30 50 FIEA Cc1ccc2nc(NC(=N)/N=C(\O)Cc3ccc(Cl)cc3)nc(C)c2c1 17179865 HBCOYSCIWSEYIG-UHFFFAOYSA-N 367.840 4.446 30 50 FIEA COc1cccc([C@H](C/N=C(/O)C2=Cc3ccccc3[C@H]2C)N(C)C)c1 328592599 MPZIFZMLIDFZCQ-VFNWGFHPSA-N 350.462 4.455 30 50 FIEA O=C(NOC(=O)c1ccccc1)OCC1c2ccccc2-c2ccccc21 85999745 UWMXWAKAFMYNHY-UHFFFAOYSA-N 359.381 4.297 30 50 FIEA FC1(F)C(F)(F)C(F)(F)C(F)(Br)C(F)(F)C1(F)F 95707939 ZAGWQKRFOLDLGQ-UHFFFAOYSA-N 360.948 4.237 30 50 FIEA CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 254504907 IWRPVTXREVYBHT-QKSXVSAESA-N 372.505 4.265 30 50 FIEA Cc1c(C(=O)/C=C\c2ccc(COc3ccc(F)cc3F)o2)cnn1C 30851932 ABJCDSYCYMODPH-SREVYHEPSA-N 358.344 4.075 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1OC 1218985 YRQATNWZKCFPGA-MDZDMXLPSA-N 362.223 4.275 30 50 FIEA COc1ccc(-c2csc(NC=C3C(=O)c4ccccc4C3=O)n2)cc1 2380742 ZEUHUIANGNCIFY-UHFFFAOYSA-N 362.410 4.194 30 50 FIEA CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)CC1 2874738 XEUMHDUORJOPSO-OAHLLOKOSA-N 373.566 4.441 30 50 FIEA C#CCCCC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 365249456 YQUTZDHCBVIVFJ-QGZVFWFLSA-N 357.498 4.092 30 50 FIEA O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 1536934 GLLPUTYLZIKEGF-HAVVHWLPSA-N 366.339 4.124 30 50 FIEA world CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(C(C)=O)=CC[C@@H]4[C@H]3C[C@H]3O[C@@]32C1 253501310 UYNAMKNNUDDKNG-AZZGCBHYSA-N 372.505 4.217 30 50 FIEA C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2856495 VQORWHPVJFJWPT-ATVHPVEESA-N 370.861 4.167 30 50 FIEA C=CCN(Cc1ccco1)C(=O)c1cccc(NC(=O)C2CCCC2)c1 65397091 LZALARZIXHNUAM-UHFFFAOYSA-N 352.434 4.237 30 50 FIEA O=C(/C(=N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 16955377 XPODGHDVKKAUQP-RVBHRSKQSA-N 357.369 4.301 30 50 FIEA CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1O 665494 PYNPFPVRXHFVOK-UHFFFAOYSA-N 373.202 4.016 30 50 FIEA COc1ccccc1N1CCN(/N=C/c2ccc(Cl)cc2Cl)CC1 1192194 SJYIGEUWVPETFW-FYJGNVAPSA-N 364.276 4.158 30 50 FIEA CC(C)(C)OC(=O)N1CCC(Nc2oc(C3CCCCC3)nc2C#N)CC1 1857798743 VVBSKHLSLZPEMI-UHFFFAOYSA-N 374.485 4.405 30 50 FIEA C=CCc1cc(CN(C)Cc2[nH]nc3c2CCC3)cc(OC)c1OC(C)C 55307303 FOKHMSPBCMWWSM-UHFFFAOYSA-N 369.509 4.055 30 50 FIEA Cc1noc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 127252432 YMZYRJFXBMJOPM-GFCCVEGCSA-N 372.494 4.034 30 50 FIEA O=C1C[C@@H](c2ccccc2)CC(Cl)=C1CS(=O)(=O)c1ccccc1 3048684 RWDPSFMZLZAYBJ-HNNXBMFYSA-N 360.862 4.100 30 50 FIEA Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4578357 OFLIORIYPJMGBP-FLFQWRMESA-N 354.413 4.214 30 50 FIEA S=C(N/N=C/c1cccc(Br)c1)Nc1cccc(Cl)c1 4360415 GOAAODQCNKFAJP-RQZCQDPDSA-N 368.687 4.423 30 50 FIEA Cc1cccc([C@@H]2CCCCN2/C(O)=N/[C@@H]2CCO[C@]3(CCOC3)C2)c1C 329105784 DCVCCFGAXUGPTG-KAGYGMCKSA-N 372.509 4.083 30 50 FIEA Cc1c(C#N)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)nc2ccccc12 2100482663 PLJQDVCAQHJIQV-QGZVFWFLSA-N 357.457 4.475 30 50 FIEA C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 12342958 PXCQCBOGRVCHKF-NLRVBDNBSA-N 368.484 4.193 30 50 FIEA Oc1ccc(C=NNc2nnc(Cc3ccccc3)c3ccccc23)cc1 252679480 NBMIFLKPDZTTTR-UHFFFAOYSA-N 354.413 4.372 30 50 FIEA C=CCSC1=N/C(=C\c2cc(Cl)cc(OC)c2OC)C(=O)S1 3000571 MVRFAKYSPKTXHK-XFFZJAGNSA-N 355.868 4.247 30 50 FIEA C/C(=N/OCO/N=C(\C)c1ccc(F)cc1F)c1ccc(F)cc1F 5091466 DNVODBVPGXOXFB-BKNYSILLSA-N 354.303 4.382 30 50 FIEA OC(=Nc1ccc(OC2CCCC2)nc1)N1CCC[C@H]1c1cccnc1 328745841 AJCCVNYZDOPEDL-SFHVURJKSA-N 352.438 4.181 30 50 FIEA C=CCOc1nc(CC)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2253095 RQCZNMPGZFENMS-UHFFFAOYSA-N 355.463 4.218 30 50 FIEA COc1ccc(CN2CCC[C@H](C#N)C2)cc1OCc1cccc(F)c1 97642596 BAOXPXYNJZKQQY-GOSISDBHSA-N 354.425 4.149 30 50 FIEA CC(=O)/C(=C/Nc1ccc(I)cc1)c1ccccc1 100068220 GWGNYMLCMBNFCO-WJDWOHSUSA-N 363.198 4.333 30 50 FIEA C/N=c1\scc(-c2ccc(NC(C)=O)c(SC)c2)n1N=C1CCCC1 206473760 BAYVDMDGZSTIRA-HNENSFHCSA-N 374.535 4.206 30 50 FIEA CC1(C)CN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)CCO1 426510162 PLVFQXQYQHUVGH-UHFFFAOYSA-N 354.837 4.130 30 50 FIEA C=CCOc1ccccc1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 584904390 AXUQLSJSDPQESN-JTHBVZDNSA-N 354.538 4.480 30 50 FIEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 888406 IQNTZGBDIFVDGN-UHFFFAOYSA-N 365.380 4.320 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3cccc(Cl)c3Cl)CC2)cc1 20190746 GTBSGUCDHQARNC-LPYMAVHISA-N 362.304 4.454 30 50 FIEA N#Cc1ccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1O 444761842 PLIJEPXJFKBHBQ-AWEZNQCLSA-N 372.705 4.090 30 50 FIEA C=CCN[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 19315948 SBHNAPZXVVASOF-AWEZNQCLSA-N 363.716 4.186 30 50 FIEA Cc1ccccc1-c1cc(O)c2c(c1)CN(c1ncccc1C#N)CCO2 67846703 GHCOBGWAYGOCPN-UHFFFAOYSA-N 357.413 4.033 30 50 FIEA FC(F)(F)C1(Br)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95707941 WODMJKXUZQZFRA-UHFFFAOYSA-N 360.948 4.237 30 50 FIEA CCCCCCCCn1nnn(CCSc2ccc(Cl)cc2)c1=N 102189359 BRVKQSHHZSWFLU-UHFFFAOYSA-N 367.950 4.365 30 50 FIEA Sc1nnc(C2CCCCC2)n1N=Cc1ccc(Br)s1 244884464 YNCSZKXHXVCFKK-UHFFFAOYSA-N 371.329 4.321 30 50 FIEA C[C@@H]1C(=O)ON(c2cccc(Cl)c2)C(=O)N1c1ccccc1Cl 825584123 MQUTUPSFCRJMEZ-SNVBAGLBSA-N 351.189 4.287 30 50 FIEA CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCc1ccccc1 636385 VWFQANPLQPVOFH-UHFFFAOYSA-N 369.428 4.047 30 50 FIEA COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(N)n2)cc1 977190 OFIJFKZYMLLLBH-ZVBGSRNCSA-N 361.232 4.330 30 50 FIEA COC(=O)CSc1nc(-c2cccc(C)c2)c2c(c1C#N)CCCC2 4052159 YWOLKPDDYNYWKZ-UHFFFAOYSA-N 352.459 4.073 30 50 FIEA CCc1nnc(NC(=O)c2ccccc2Sc2ccccc2C#N)s1 5065735 WRNMDHGJLZQVMC-UHFFFAOYSA-N 366.471 4.376 30 50 FIEA CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 100988963 MNLCQUOKAWEOOK-TXZCWDHISA-N 372.833 4.303 30 50 FIEA CC(C)CCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 3229503 OKUMVCAUWMFTTR-UHFFFAOYSA-N 361.898 4.022 30 50 FIEA CC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 4421944 UMVOYXHZPXOXFI-UHFFFAOYSA-N 374.440 4.078 30 50 FIEA CCCCn1ccnc1[C@@H]1CCCN(c2nc(C(C)C)ccc2C#N)C1 95383942 JBJYSVXAVXAEHV-GOSISDBHSA-N 351.498 4.457 30 50 FIEA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)Oc2c(Cl)ccc(Cl)c21 299738154 CGSSZIOWCOAFIM-SDQBBNPISA-N 352.129 4.223 30 50 FIEA CCc1noc(C)c1N=C(O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328602537 BZOFBDQSFHVTFG-DYESRHJHSA-N 353.466 4.436 30 50 FIEA C[C@@H]1Cc2cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc2O1 1477139618 MENOGNCGKQFZGT-XPGWFJOJSA-N 361.445 4.314 30 50 FIEA CCC[C@@H](C)CC(=O)NCCC1CCN(Cc2ccccc2C#N)CC1 2325868033 MMILHWPZHHEQQG-GOSISDBHSA-N 355.526 4.103 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 257347017 MPXJSJVWSXWSNI-ZKLLGZCPSA-N 372.505 4.265 30 50 FIEA C=CCNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 12712037 FOKSSNGTPHMGMR-UHFFFAOYSA-N 353.853 4.477 30 50 FIEA COc1ccc(O)cc1-c1cc(-c2c[nH]c3ccccc23)nc(N)c1C#N 71751233 OYSMHEOMYAJEKN-UHFFFAOYSA-N 356.385 4.065 30 50 FIEA C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 4868562 OSZLEIRIVDPWFF-UHFFFAOYSA-N 364.445 4.130 30 50 FIEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2Cc1ccc(OCCC(C)C)cc1 343516869 CXGQETJFWLLOFD-UHFFFAOYSA-N 352.434 4.110 30 50 FIEA COc1ccc(/C=N/N=c2\[nH]c(-c3ccc(Cl)cc3)cs2)cc1OC 4837206 NBFCOQPCJZJWQI-KEBDBYFISA-N 373.865 4.349 30 50 FIEA Cc1ccc([N+](=O)[O-])cc1N/C=C/C(=O)c1ccc(Br)cc1 1203693 VNNWYUUMUVLXSQ-CMDGGOBGSA-N 361.195 4.474 30 50 FIEA Cc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)cc1C 4914816 ADKHASUKWMBHGS-UHFFFAOYSA-N 351.233 4.282 30 50 FIEA CC(C)n1ncc2ccc(N=C(O)N3CCC[C@H]3C3CCOCC3)cc21 329480341 PGBYGBLLKUUNMF-SFHVURJKSA-N 356.470 4.054 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 3843598 LFSRETZWVUHKLB-DWBHWTKOSA-N 356.506 4.245 30 50 FIEA COc1ccccc1N1CCN(/N=C\c2c(Cl)cccc2Cl)CC1 5058992 OGCZLJAWGBAZRJ-BKUYFWCQSA-N 364.276 4.158 30 50 FIEA NCC[C@H](F)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 2325772997 GCSFFBDMNQKOAU-VIFPVBQESA-N 357.229 4.134 30 50 FIEA CCN1C2=C(C(=O)CCC2)C(c2cccc(OC)c2)C2=C1CCCC2=O 780239 QNJSLELWWGQGTJ-UHFFFAOYSA-N 351.446 4.129 30 50 FIEA O=C1C[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819522 XXPJQOJDEVEDEU-ZBFHGGJFSA-N 351.833 4.344 30 50 FIEA O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C=CC2=O)cc1 28957534 VGHSVKNCWPTFGY-KRXBUXKQSA-N 372.207 4.319 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239025581 BUXWHIOIEROXSL-VHDGCEQUSA-N 372.490 4.130 30 50 FIEA CC(C)c1ccc(C(=O)N2CCN(CCCCC(C)(C)C#N)CC2)cc1 2325749588 LWTWHLZSEYMYQP-UHFFFAOYSA-N 355.526 4.288 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 2796122 IXMNYIHAAXPSQQ-FQEVSTJZSA-N 369.461 4.006 30 50 FIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(C)o2)C1=O 4561576 KWQZCMRJOREGAK-PTNGSMBKSA-N 355.415 4.132 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)o1 71763026 JFSPBFCRTZNXDD-NRFANRHFSA-N 358.441 4.262 30 50 FIEA C[C@H]1CCC[C@](C#N)(NC(=O)c2csc(Cc3ccccc3F)n2)C1 170630446 MMPBLXIKMXOCMF-DJJJIMSYSA-N 357.454 4.075 30 50 FIEA O/C(=N/Cc1ccc(N2CCCCC2)nc1)N[C@H]1CCCc2sccc21 329806945 OIRWVOSHNGITGB-KRWDZBQOSA-N 370.522 4.215 30 50 FIEA C=CCN(Cc1ccsc1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 1506427577 NLYNCIIUZSFZPZ-UHFFFAOYSA-N 365.502 4.438 30 50 FIEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2c1O 4947433 IMHNJMHWAOLFCK-ODLFYWEKSA-N 366.333 4.198 30 50 FIEA Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6054243 VTRUFSCFBTUTQA-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA COc1cccc(OC)c1/C=C/C(=O)/C=C/c1c(OC)cccc1OC 2549246 RWGSYJMFOMFSPX-PHEQNACWSA-N 354.402 4.017 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H](C)c2cn(C)c3cc(Cl)ccc23)N=N1 1875368792 PSYSTGLIOOPZAR-ZDUSSCGKSA-N 356.857 4.365 30 50 FIEA Brc1ccc(-c2cs/c(=N/N=C/c3ccccc3)[nH]2)cc1 3899426 HFANHGMQAAJDMD-VCHYOVAHSA-N 358.264 4.441 30 50 FIEA Oc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 4017530 NTQRIKNQVQNTLL-HZHRSRAPSA-N 367.412 4.357 30 50 FIEA COc1cc(/C=C\C(=O)/C=C\c2cc(OC)cc(OC)c2)cc(OC)c1 33675458 VXKNQOUEXUHOLI-SFECMWDFSA-N 354.402 4.017 30 50 FIEA Cc1nc(C2CCCC2)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 333136800 XXZDRUXZBRBPSY-CQSZACIVSA-N 364.474 4.486 30 50 FIEA CC(C)(NC(=O)c1nn(CCCCC#N)c2ccccc12)c1ccccc1 575598516 JGTSOWOPISVAHG-UHFFFAOYSA-N 360.461 4.395 30 50 FIEA in-vitro C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)N=N1 1875368701 LJQIWGTXTSFIEA-HZPDHXFCSA-N 363.465 4.061 30 50 FIEA N#Cc1c(Br)cccc1NCC[C@H]1NCCc2ccccc21 2325868400 YMGPQDSEWCMKQH-GOSISDBHSA-N 356.267 4.010 30 50 FIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)cc1 6819581 HHHLNLRZTGFDDE-MJGOQNOKSA-N 361.441 4.008 30 50 FIEA CC[C@H](C)N(CC#Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O 55061224 DPOSONREJBDFPL-KRWDZBQOSA-N 362.448 4.319 30 50 FIEA CCCN(CC#Cc1ccccc1)Cc1cccnc1NC(=O)C(C)(C)C 55327113 JSHNXGLCWHYNPG-UHFFFAOYSA-N 363.505 4.330 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(F)c1 170618305 XRAWKYVGSWGGLT-RXVVDRJESA-N 368.404 4.154 30 50 FIEA O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)Oc2c(Cl)ccc(Cl)c21 299738232 LLWGHBMNOZUDDS-SDQBBNPISA-N 352.129 4.223 30 50 FIEA Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1[C@@H](C)C1CC1 329407011 AZHIINMIFWAHCT-LDQXTDLNSA-N 362.477 4.075 30 50 FIEA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(C(C)(C)C#N)n1 1875316915 INXKXGCVPQMVJU-MRVPVSSYSA-N 370.634 4.427 30 50 FIEA CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 4744081 IWRPVTXREVYBHT-ZQEATNLPSA-N 372.505 4.265 30 50 FIEA in-vitro COc1cc(/C=N/Nc2ccc3ccccc3n2)cc(Br)c1O 4892397 GIECUSILVXNJMS-VXLYETTFSA-N 372.222 4.158 30 50 FIEA C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 33321535 HWKISSICYIDLDP-QBFSEMIESA-N 354.909 4.097 30 50 FIEA CCc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 1053208 ULKPZFUXXZNSMO-UHFFFAOYSA-N 354.837 4.310 30 50 FIEA CCOc1cc(C#N)c(NC(=O)COc2ccc(Cl)cc2)cc1OCC 1076823 STKDQLTVGSSLCN-UHFFFAOYSA-N 374.824 4.027 30 50 FIEA N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 181834712 GORRCNDNCZMUPR-UHFFFAOYSA-N 369.380 4.097 30 50 FIEA C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)c1ccc(F)c(F)c1 332107364 ACOJGDJOGQOJTC-BEFAXECRSA-N 374.435 4.203 30 50 FIEA O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(F)cc1F 2521069 CPQHGKNOGKPNLV-UHFFFAOYSA-N 369.261 4.391 30 50 FIEA O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)c3ccccc3C1=N2 19375101 NUQOCWFNLFYZNC-ICSRJNTNSA-N 372.380 4.001 30 50 FIEA O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 169296677 JXTBELKWIIAVQB-TYQACLPBSA-N 362.266 4.141 30 50 FIEA C=C(C)COc1ccccc1NC(=O)[C@]1(C)CC[C@H](C(=O)NCC)C1(C)C 952872814 CTMQQDSKVTWWCF-ZHRRBRCNSA-N 372.509 4.159 30 50 FIEA N#Cc1c2nc3ccccc3nc2n2ccc(NC(=O)c3cccs3)cc12 2320807 BCSBXWKRZUPFHW-UHFFFAOYSA-N 369.409 4.221 30 50 FIEA in-vitro COc1ccc(/C=C/C(O)=N/c2nc3nccc(-c4ccccc4)n3n2)cc1 2334711 SJQMJBNRBIACMY-FMIVXFBMSA-N 371.400 4.101 30 50 FIEA CC(C)[C@@](C#N)(CCCNC[C@H]1COc2ccccc2O1)c1ccccc1 5498444 ZTBZVVBXACPXRI-REWPJTCUSA-N 364.489 4.314 30 50 FIEA Cc1[nH]c2c(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cccc2c1C 96140182 OWFOVJTZTACEJK-UHFFFAOYSA-N 357.457 4.482 30 50 FIEA CC1(C)OB(c2ccc(C(=O)Nc3ccccc3)c3ccccc23)OC1(C)C 170004517 QPBSDSCGISDDTK-UHFFFAOYSA-N 373.261 4.391 30 50 FIEA Cc1nn(C(F)F)c(C)c1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 187289329 FSMLXKXBYXTERF-UHFFFAOYSA-N 366.456 4.052 30 50 FIEA Cc1nc(C2(/N=C(/O)[C@H]3C[C@@]34CC(C)(C)Oc3ccccc34)CCC2)no1 328605050 MBZOWSZKWOWXNZ-QRWLVFNGSA-N 367.449 4.233 30 50 FIEA C[C@@H]1Cc2cc(NC(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2O1 96153092 QVYJWMVGMJUWQV-MRXNPFEDSA-N 361.445 4.099 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)c2ccccc2)cc1 101074499 VEDFPFNFUGDZLW-DQRAZIAOSA-N 364.470 4.267 30 50 FIEA CC(=O)Nc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 631171 DMXDBIQEXFYEGH-UHFFFAOYSA-N 355.401 4.370 30 50 FIEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1208555 XDWPTUXKNZBAKX-ZMOGYAJESA-N 374.371 4.035 30 50 FIEA C=CCC(CC=C)(CNC(=S)NC(=O)c1ccccc1)c1ccccc1 2866948 JKOUQUVNFMCIJH-UHFFFAOYSA-N 364.514 4.381 30 50 FIEA C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1 2868596 VYUSCDOVQGCFQS-UHFFFAOYSA-N 368.437 4.001 30 50 FIEA N#C[C@@H](OC(=O)c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 3122990 PKBJDNVYTOWVMW-HXUWFJFHSA-N 357.365 4.327 30 50 FIEA N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1)C1CCN2CC1 4623375 XHWBKQQMDQYHHR-UHFFFAOYSA-N 369.877 4.279 30 50 FIEA O=C(/C=C/Nc1ccc(I)cc1)c1ccc(F)cc1 2325809670 VYUQQDOPGVJGTN-MDZDMXLPSA-N 367.161 4.239 30 50 FIEA C=CCNC(=S)Nc1scc(-c2cccs2)c1C(=O)OCC 2335014 MRJHKGCUBSTCPP-UHFFFAOYSA-N 352.506 4.126 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 3905772 MBMRHTHVACFMKN-NRFANRHFSA-N 365.473 4.449 30 50 FIEA CCOC(=O)/C(=N\c1cc(Cl)ccc1Cl)NNc1ccccc1 6480634 FKKSKXOGGXESCS-UHFFFAOYSA-N 352.221 4.203 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 18244445 ABVZXJOLTMVWMG-FQEVSTJZSA-N 350.418 4.443 30 50 FIEA COc1ccc2cc([C@H](C#N)OC(=O)C[C@H]3O[C@H]3c3ccccc3)ccc2c1 64859052 NZOVBSWOWQLAJG-GIWBLDEGSA-N 373.408 4.486 30 50 FIEA in-vitro C#CCn1c(C)cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1C 2325822735 LLUVTQKJWCKZBY-UHFFFAOYSA-N 370.880 4.075 30 50 FIEA CC[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cc(C)cc(OC)c1 2325829071 ZPYWDGBUBLXHBS-FQEVSTJZSA-N 366.436 4.314 30 50 FIEA CC1(C)OB(c2cc(Cl)c(Br)c(Cl)c2)OC1(C)C 169746266 UKPPGPXWYPWLLX-UHFFFAOYSA-N 351.864 4.055 30 50 FIEA in-vitro CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 1958642 YJZMOLJYKFZGQK-VXLYETTFSA-N 374.418 4.168 30 50 FIEA CC1=C(C(=O)c2ccc(C(F)(F)F)cc2)N(C)[C@@H]2CCCC[C@@H]2N1C 101361759 NDWWPBQNUOGMKH-JKSUJKDBSA-N 352.400 4.308 30 50 FIEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 252429399 KVMGPMIWESCAFY-UHFFFAOYSA-N 366.490 4.422 30 50 FIEA C=Cn1cc[n+](CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 253470643 TZHVUKXXIRKMKQ-UHFFFAOYSA-N 368.254 4.189 30 50 FIEA O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914668 QKJZEMOSDKQWEN-RHSMWYFYSA-N 369.823 4.483 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cc(C)n[nH]2)cn1 67713982 XHYNUEDHVZKCTQ-KRWDZBQOSA-N 372.476 4.435 30 50 FIEA CCCCCCCCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O 299738331 WMWSSLVPSSDNRU-UHFFFAOYSA-N 358.482 4.207 30 50 FIEA CCSC1=N/C(=C\c2ccc(OC)c(Br)c2)C(=O)S1 4755103 MMSSUJYUELDXOL-YFHOEESVSA-N 358.282 4.181 30 50 FIEA CCCCOc1ccc(C(=O)O/N=C2/CCc3cc(OC)ccc32)cc1 5060094 BKFVWOPGCXTIAE-XDOYNYLZSA-N 353.418 4.381 30 50 FIEA S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccccc1 5649886 GEBFKJOLCPMCHY-LICLKQGHSA-N 359.252 4.252 30 50 FIEA C=CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12040343 FFWNKDRNNVBZOJ-AWEZNQCLSA-N 361.363 4.368 30 50 FIEA C=CCCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12306587 WDVFGDFRYWRCME-UHFFFAOYSA-N 355.526 4.031 30 50 FIEA CCCCCCCCn1c(-c2nonc2NC(C)=O)nc2ccccc21 50861720 JDQMBAXSPMAIRY-UHFFFAOYSA-N 355.442 4.405 30 50 FIEA COc1cc2c(cc1OC)C(=O)/C(=C/C1=CCN(Cc3ccccc3)C=C1)C2 1857524086 SCYBRHNSWNQFAB-UDWIEESQSA-N 373.452 4.325 30 50 FIEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1 1857799200 QXRHFLKMYZLEIX-PMACEKPBSA-N 371.440 4.389 30 50 FIEA Cc1c(C(=O)[C@@H](C#N)C(=O)c2cc3c(s2)CCCC3)noc1C1CC1 1875299751 UUCCDDAWRHLLQZ-ZDUSSCGKSA-N 354.431 4.006 30 50 FIEA Cc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)cc1C 4689646 KTCLBYTUVIVPLA-UHFFFAOYSA-N 351.233 4.282 30 50 FIEA Cc1ccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)cc1F 12602007 MYQYEMWMPGIKAU-UHFFFAOYSA-N 374.462 4.443 30 50 FIEA CC1=C[C@H](C)[C@@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 226858309 PNOVVDRHHMKFHS-STXFWNITSA-N 352.413 4.089 30 50 FIEA C=C(C)COc1ccccc1NC(=O)[C@@]1(C)CC[C@@H](C(=O)NCC)C1(C)C 1615751034 CTMQQDSKVTWWCF-KSFYIVLOSA-N 372.509 4.159 30 50 FIEA O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914650 LXYMGKZOHDWRAO-BBRMVZONSA-N 369.823 4.483 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 257347487 JAZBMNIJZWDVQJ-GHZMSKEGSA-N 372.505 4.265 30 50 FIEA CCN(CC)C[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(C#N)cc2)c1 426712583 GHQFASFOPSFDBS-QFIPXVFZSA-N 361.489 4.172 30 50 FIEA CN(C(=O)N1CCC[C@H]1c1cc(Cl)ccc1F)c1cncc(C#N)c1 2325850357 VTYYOWZGIYRVID-KRWDZBQOSA-N 358.804 4.139 30 50 FIEA N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccccc2)c1=O 3133665 UVEFHZCCURZCEQ-UHFFFAOYSA-N 354.331 4.454 30 50 FIEA CCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 19773123 DNEDJZAWCFNVLY-XIEYBQDHSA-N 373.500 4.390 30 50 FIEA C=CCn1ccc(-c2cccc(-c3cc(C(=O)N4CCCC4)ccn3)c2)n1 20996519 AEBLEGNFCZDVQH-UHFFFAOYSA-N 358.445 4.034 30 50 FIEA Cc1ccc2[nH]c3nc(N/N=C/c4c(O)ccc5ccccc45)nnc3c2c1 4596721 MRAHIBKKTBLALT-SSDVNMTOSA-N 368.400 4.119 30 50 FIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 4916051 MUVMMCBVNFXELM-HOCLYGCPSA-N 367.470 4.151 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccs1 1069796 RJLPBDQDWXHEIA-UHFFFAOYSA-N 374.466 4.063 30 50 FIEA COc1cc(/C(S)=N\Cc2ccccc2)cc(Br)c1O 17951960 JGLMABKLWHJZIR-UHFFFAOYSA-N 352.253 4.040 30 50 FIEA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=C1C(=O)CC(C)(C)CC1=O 100522915 VNSRYENLACQIFB-SFHVURJKSA-N 350.462 4.285 30 50 FIEA COc1ccc2cc([C@H](C#N)OC(=O)C[C@@H]3O[C@@H]3c3ccccc3)ccc2c1 101351097 NZOVBSWOWQLAJG-QNWVGRARSA-N 373.408 4.486 30 50 FIEA in-vitro COc1ccccc1Oc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cn1 299759859 ODRQROKVYVGWBS-UHFFFAOYSA-N 366.421 4.040 30 50 FIEA CN(C)/C=C/C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1O 1402210 CGVLSKSLRAMKKK-CMDGGOBGSA-N 365.351 4.248 30 50 FIEA N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(Br)c1 127759401 XAQFZEBROIPGFJ-ZACQAIPSSA-N 373.225 4.073 30 50 FIEA C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)(C)C 4980146 YHGUWAFWFMUWME-IMRMQAIZSA-N 364.446 4.004 30 50 FIEA N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1cc2c(cc1Br)OCO2 3086314 QTOJSKVMNRFJMP-OWOJBTEDSA-N 373.162 4.128 30 50 FIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2)cc1OC 1454716 SFEYMKBSQLBWEP-VXLYETTFSA-N 374.853 4.160 30 50 FIEA CSc1nc(C)c(CCC(O)=Nc2nc(C(F)(F)F)co2)c(C)n1 328596558 CBSIZECSFVTTAR-UHFFFAOYSA-N 360.361 4.043 30 50 FIEA N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl 4723222 VVZNUXPOHXAAIL-UHFFFAOYSA-N 364.832 4.336 30 50 FIEA CC(C)c1ccc([C@@H]2CCCCN2/C(O)=N/[C@@H]2CCn3ccnc3C2)cc1 330279076 QMEGYZZAGWHXJF-UXHICEINSA-N 366.509 4.463 30 50 FIEA CC(=O)/C(=C/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2562213 XSXVMMLMYQKWRA-YBEGLDIGSA-N 370.257 4.310 30 50 FIEA C=CCN[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 19315945 SBHNAPZXVVASOF-CQSZACIVSA-N 363.716 4.186 30 50 FIEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 2276420 LSPXVQZWGIOBAR-FKTOWYLZSA-N 370.865 4.443 30 50 FIEA N#Cc1c(Nc2ccccc2)ccnc1N1CCN(c2ccccc2)CC1 22147083 AIGJWAFRZFXKGT-UHFFFAOYSA-N 355.445 4.023 30 50 FIEA C=CCN(Cc1ccc(SC)cc1)C(=O)CCc1cc(Cl)no1 55360312 AJOOFSGVIBBLHV-UHFFFAOYSA-N 350.871 4.197 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253501160 VTHUYJIXSMGYOQ-JBAFQVTRSA-N 372.505 4.409 30 50 FIEA CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@]3(C)[C@H](C(C)=O)CC[C@H]23)[C@@]2(C)CCC(=O)C=C12 254507933 SUCNAJORKZIPDF-PQELXKSKSA-N 372.505 4.265 30 50 FIEA COc1cccc(-c2c[nH]nc2C2CCN(Cc3ccc(C#N)cc3)CC2)c1 77319629 GOFAXERDJXTNAX-UHFFFAOYSA-N 372.472 4.337 30 50 FIEA CCN(CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 248240132 GRHPYHKBBVQXFQ-JKSUJKDBSA-N 369.896 4.472 30 50 FIEA C=C(C)COc1c(CN2CCCC[C@H]2c2nc(C)no2)cccc1OC 55061076 JNVHYRPAWBFZSM-KRWDZBQOSA-N 357.454 4.069 30 50 FIEA COc1ccc2c(c1)C1(CC1)CN(C(O)=Nc1nc3c(s1)CCCC3)C2 329832546 KJGUBJCCSHNFNG-UHFFFAOYSA-N 369.490 4.123 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 2878402 VBHHFAPYHDMDRG-OAHLLOKOSA-N 354.460 4.381 30 50 FIEA C=CCOc1ccccc1CN(CC)Cc1cnc(-c2ccccn2)nc1 55383528 AAXPZZKRLLXJTN-UHFFFAOYSA-N 360.461 4.126 30 50 FIEA N#Cc1ccccc1CN1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 71479400 YJRUYVCQXDRIAZ-IBGZPJMESA-N 360.379 4.021 30 50 FIEA CCCOc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19882213 KSOJDBVKJZXSEN-XQNSMLJCSA-N 371.912 4.281 30 50 FIEA Cn1c2c(c3ccccc31)[C@@H](c1ccccc1)Cc1[nH]c(=O)c(C#N)cc1-2 22341755 JEOFSEFKOSPTOZ-QGZVFWFLSA-N 351.409 4.093 30 50 FIEA Cc1ccccc1-n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)cn1 71738530 HSSPSLWNOGFYGH-UHFFFAOYSA-N 367.412 4.069 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1cccs1 702703 FEQIAUJFXZYEHS-HNNXBMFYSA-N 371.439 4.181 30 50 FIEA CCOc1cc(C#N)cc(Br)c1OCc1ccc(F)cc1 2886724 SXASFQQBQOZGKL-UHFFFAOYSA-N 350.187 4.438 30 50 FIEA C=CCNC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 4624662 GIDIPTAEBWTPAP-UHFFFAOYSA-N 365.458 4.081 30 50 FIEA CCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br 20191223 MUVCSHFQNMCYMI-UHFFFAOYSA-N 362.296 4.468 30 50 FIEA O/C(C[C@@H]1CCCC[C@H]1O)=N/C[C@@H]1CCCCN(Cc2ccccc2)C1 330263377 WKQSWGVYBWSDIJ-PCCBWWKXSA-N 358.526 4.186 30 50 FIEA CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 426412623 BAPRQAWHJQFKGD-HNNXBMFYSA-N 350.393 4.071 30 50 FIEA C#CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 100902271 WGWAQVZTFVRUFH-QGOAFFKASA-N 350.805 4.158 30 50 FIEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1CC[C@H](O)CCc1ccccc1 100013114 ZHCXQFHXZFWVRT-BMTLBVSWSA-N 370.489 4.333 30 50 FIEA in-vitro N#Cc1ccc(S[C@H](C(N)=O)c2ccc(F)cc2)cc1C(F)(F)F 181056010 YSVDZYPLTYRHCR-AWEZNQCLSA-N 354.328 4.035 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccn1C 9042279 INPMKGYYZKWCDW-OAQYLSRUSA-N 363.461 4.188 30 50 FIEA biogenic Cc1cccc(NC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1F 169745885 KXWZBHXMWGZALE-UHFFFAOYSA-N 370.233 4.077 30 50 FIEA COc1ccccc1[C@H](C#N)NC(=O)c1cc2ccccc2c2cccnc12 225532879 YSZMRJAKBFNCRQ-FQEVSTJZSA-N 367.408 4.391 30 50 FIEA C[C@@H](c1cccc(O)c1)N(C)/C(O)=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2 329713173 REFVLFZVTDKGGH-YSSFQJQWSA-N 364.489 4.493 30 50 FIEA N#CC(Br)(C#N)[C@@H](CC(=O)c1cccs1)c1ccccc1 3073451 TWTFKNZRBWPTSS-ZDUSSCGKSA-N 359.248 4.286 30 50 FIEA O=C1/C(=C\c2cccnc2)CN(Cc2ccccc2)C/C1=C\c1cccnc1 20115282 BQPHBZVVTSOOSV-SEKXJNOLSA-N 367.452 4.029 30 50 FIEA Oc1ccc(/C=N/Cc2ccncc2)c(O)c1Cc1c(F)cccc1Cl 100331818 SGZLIGBUWXRHBW-WYMPLXKRSA-N 370.811 4.495 30 50 FIEA COc1c(F)c(F)c(-c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F 1627136 TVUPJKALGKCABC-UHFFFAOYSA-N 358.184 4.484 30 50 FIEA in-vitro O=C(Nc1cccc(C(F)(F)F)c1)O/N=C/c1ccc2c(c1)OCO2 2544937 FEVYHBSOTRXUOY-DNTJNYDQSA-N 352.268 4.017 30 50 FIEA O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 5206095 OLIZPAAEZJMPDF-OMCISZLKSA-N 360.273 4.029 30 50 FIEA N/C(=N/C(=O)c1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2o1 13841707 HLVUPULVKFVVBW-UHFFFAOYSA-N 356.385 4.062 30 50 FIEA CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 27646080 WYVHLKMCZZDTOU-XYFYYYGJSA-N 363.542 4.452 30 50 FIEA in-vitro C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O 257357512 OKHAOBQKCCIRLO-VGBCXKBCSA-N 354.490 4.171 30 50 FIEA C=CCC(C)(C)CN1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 2100556679 OSVNYFKOYMHYOG-UHFFFAOYSA-N 357.542 4.362 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 2055103 DNRGXBOXDKACFI-GOSISDBHSA-N 357.837 4.037 30 50 FIEA CCOc1ccc(Br)cc1/C=C1\N=C(SC)SC1=O 1117967 JABIYATVFLIXQY-YFHOEESVSA-N 358.282 4.181 30 50 FIEA C/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1cc(C(C)C)c(O)cc1C 13496415 MGHXWJGPIPVGNI-UHFFFAOYSA-N 360.479 4.352 30 50 FIEA O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)/N=C1/NCCS1 16320072 UJHKGXHQEDZQMK-XBLGPDGASA-N 354.519 4.134 30 50 FIEA C[C@@H]1CCCC[C@@H]1/N=C(/O)[C@@H](C)S(=O)(=O)Cc1ccccc1C1CC1 329803298 LDIWMIYTBVAPTP-CLCXKQKWSA-N 363.523 4.403 30 50 FIEA O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNCCc1ccccc1 100630953 SCSXJIFJBKMEDX-UHFFFAOYSA-N 353.849 4.072 30 50 FIEA C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCC 1194708 SOWGIQQFLRGDFJ-PDGQHHTCSA-N 363.413 4.385 30 50 FIEA C=CCOc1ccc(COc2ccc(CC(=O)O)cc2OC)cc1Cl 5675531 GCKMFQAJIUDYRW-UHFFFAOYSA-N 362.809 4.120 30 50 FIEA Cc1ccc([C@@H](C)/C=N/NS(=O)(=O)c2ccc(CC(C)C)cc2)s1 6846697 GNELODBHBSPHNO-BXUJETTOSA-N 364.536 4.323 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1C 170618151 XYBGQJOSFVHKFD-KNQAVFIVSA-N 364.441 4.323 30 50 FIEA CC1(C)CCCc2sc(N/C(O)=N/[C@H]3CCCc4nc(O)ccc43)nc21 329518527 NOGWSGOHMQBKTM-ZDUSSCGKSA-N 372.494 4.261 30 50 FIEA CCc1cc(CN(C)C(=O)c2cccc(-c3cc(C)c(C#N)c(C)n3)c2)on1 584903813 GYXUWEMMQADUPR-UHFFFAOYSA-N 374.444 4.060 30 50 FIEA COc1cncc(/C=C/CCOC(=O)[C@H](C)Sc2ccc(C#N)cc2)c1 2325754653 DGDAGCQAZKCXBB-UJAVWCLSSA-N 368.458 4.089 30 50 FIEA Cc1c(B2OC(C)(C)C(C)(C)O2)n(C(=O)OC(C)(C)C)c2ccccc12 203924200 XYUZBXNCRMPFHN-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 257347016 MPXJSJVWSXWSNI-QQCFZQQESA-N 372.505 4.265 30 50 FIEA N#Cc1ccc(Cl)cc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 301203099 ODJWVJOMWCUKRC-UHFFFAOYSA-N 370.836 4.101 30 50 FIEA C[C@@]1(C(O)=Nc2nnc(C3CCOCC3)s2)CCc2ccccc2C1 329293819 JJNCUKIEQHHMNY-LJQANCHMSA-N 357.479 4.215 30 50 FIEA C=CCC1(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 832621160 RUTPHZIFPKYSDE-INIZCTEOSA-N 362.514 4.029 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)N=N1 952881005 NGNVNVZTBBELPN-UHFFFAOYSA-N 361.449 4.181 30 50 FIEA O=S(=O)(N/C(=N\c1ccc(F)cc1F)c1ccccc1)c1ccccc1 13122863 LNRLYLOKSQTKBM-UHFFFAOYSA-N 372.396 4.022 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccc(F)cc1 170618310 NIDNJSQKQDNMFY-WIYYLYMNSA-N 368.404 4.154 30 50 FIEA CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 225416799 FBLUFKCVGVRYSE-IEBWSBKVSA-N 364.445 4.113 30 50 FIEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ccc(C#N)cc1)CC2 433231131 WQRBPYHEHMSWHS-HXUWFJFHSA-N 365.502 4.027 30 50 FIEA CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(C)c32)ccc1O 13122553 XCNAIYQYAIHNOS-GOSISDBHSA-N 367.449 4.023 30 50 FIEA C=C(C)CN(CC(=C)C)c1nc(Cl)nc(N(CC(=C)C)CC(=C)C)n1 71766944 RABSGVZPVOGJAF-UHFFFAOYSA-N 361.921 4.442 30 50 FIEA Cc1noc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 127252659 YMZYRJFXBMJOPM-LBPRGKRZSA-N 372.494 4.034 30 50 FIEA O=C1N/C(=N/c2ccccc2)S/C1=C\c1c(F)c(F)c(F)c(F)c1F 3466500 REXMFAQTGWPLPA-TWGQIWQCSA-N 370.302 4.274 30 50 FIEA COc1ccc2c(c1)/C(=N\OC(=O)c1cc(Cl)ccc1OC)CCC2 22147564 VNKREBPGGMWQTI-FXBPSFAMSA-N 359.809 4.255 30 50 FIEA CC1=C(CNc2cccnc2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 100664612 HGBPGPZOUBVYDI-NRFANRHFSA-N 363.436 4.301 30 50 FIEA O/C(=N/C1(c2ccc3c(c2)OCO3)CC1)[C@@H]1CCCc2c(O)cccc21 330009021 HCDHHHZOJJXFJP-MRXNPFEDSA-N 351.402 4.187 30 50 FIEA CCOc1cccc(-c2nnc(S)n2/N=C/C(C)=C/c2ccco2)c1 731906 HPTMKFBGCJRZQR-STHKOIKCSA-N 354.435 4.163 30 50 FIEA COc1ccc([C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC 1385454 FPOQMLWYZCRFLL-NSHDSACASA-N 356.731 4.426 30 50 FIEA C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCOCC1 3056877 CUICAVLQGXKHLF-UHFFFAOYSA-N 366.484 4.090 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@@H](C)c2ncnn2CC)cc1Cl 55282974 HXWRFZVHNFCJIX-NSHDSACASA-N 355.269 4.020 30 50 FIEA O=C(O)c1cc(/C=C2\Oc3c(Cl)cc(Cl)cc3C2=O)ccc1O 299738184 HILIREMKOBXQBI-PQMHYQBVSA-N 351.141 4.013 30 50 FIEA CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 217910197 CBIXLPYQLJTDRU-LBPRGKRZSA-N 370.788 4.356 30 50 FIEA biogenic N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 637511 YVKUCXPWFSNDQB-KRWDZBQOSA-N 353.219 4.469 30 50 FIEA Cc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc(Br)cc1 4981792 HCIAOUZUMPOVPN-CMDGGOBGSA-N 361.195 4.474 30 50 FIEA COc1ccccc1N1CCN(/N=C\c2ccc(Cl)c(Cl)c2)CC1 5058989 ZOQOZUCGTQVCQN-BKUYFWCQSA-N 364.276 4.158 30 50 FIEA O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3s1)N2 6492430 HYWJJBKTYSRNCI-UHFFFAOYSA-N 366.490 4.377 30 50 FIEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N1CCCC2(CCOCC2)C1 330268537 RFVXRBMWLGSTPI-UHFFFAOYSA-N 365.477 4.055 30 50 FIEA CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 3901614 GQQRHQCOHLRROV-LJQANCHMSA-N 353.462 4.026 30 50 FIEA CO[C@]1(C)CCCN(C(O)=Nc2cc(Cc3ccccn3)ccc2C)C1 328686149 GDRDOGFTRLCCLR-OAQYLSRUSA-N 353.466 4.027 30 50 FIEA CC(C)c1csc([C@@H]2CCCN(/C(O)=N/[C@H](C)[C@@H]3CCCCO3)C2)n1 329437195 JKZYAIOEJZMHTE-INMHGKMJSA-N 365.543 4.318 30 50 FIEA C#CCCC1(CCC(=O)NC2(c3nc4cc(Cl)ccc4o3)CCC2)N=N1 1875368786 PKOFRHGIGZBNMI-UHFFFAOYSA-N 370.840 4.332 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1cccs1 225847820 NXNBJGVESLNGNH-XLIONFOSSA-N 369.486 4.133 30 50 FIEA O/C(=N/C1CC1)[C@@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccccc1 328628191 NMOGMKYXEIORQE-HLAWJBBLSA-N 350.462 4.214 30 50 FIEA COc1ccc(C=Nc2ccc(I)cc2)cc1OC 254442323 SFKGBUCNJMWUOX-UHFFFAOYSA-N 367.186 4.059 30 50 FIEA CCOc1cc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)ccc1O 1478809 INQHIPWNSOHLPZ-VXLYETTFSA-N 374.853 4.248 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccnc1 628863 LTFORFZDLIVSFA-UHFFFAOYSA-N 350.462 4.055 30 50 FIEA CCn1nccc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2F)o1 6490108 MESOFQGNVBHWHG-VOTSOKGWSA-N 358.344 4.249 30 50 FIEA CC(C)Cc1nc(C#N)c(NC[C@@H](c2cccs2)N2CCCCC2)o1 28251135 JGCZIVFQYJFTMH-INIZCTEOSA-N 358.511 4.445 30 50 FIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257358476 URXWVWVPMJSAJD-PTROGCMSSA-N 370.489 4.185 30 50 FIEA O/C(=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1Cc2ccccc2O1 329531871 WTNUTQAMSPDUQU-IEBWSBKVSA-N 351.450 4.336 30 50 FIEA C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 5050674 BQTZZVQXOYVTDL-KDWIEBRMSA-N 364.426 4.205 30 50 FIEA C=CCOc1ccccc1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 173252564 FRPCZWMWRHNBOP-AWEZNQCLSA-N 355.438 4.173 30 50 FIEA C[C@H]1CCCCN1CCC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 333097050 PHLUZBDCQBAHSU-PELRDEGISA-N 374.573 4.002 30 50 FIEA N#Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1Oc1ccccc1 1385325 PXUQXSDVJRZTTB-UHFFFAOYSA-N 358.184 4.203 30 50 FIEA Cc1csc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)n1 328607131 UQIDXVOQIXAROL-JKSUJKDBSA-N 354.435 4.003 30 50 FIEA C[C@H]1CN(c2cccc(-n3cccc3)c2C#N)CCN1Cc1ccccc1 2325867769 FRKOPOMDBPCQRR-IBGZPJMESA-N 356.473 4.060 30 50 FIEA OCC#Cc1ccc(CN2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)cc1 65376633 QBENRMNFPWBMIH-XMMPIXPASA-N 368.480 4.082 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 4759920 GTKHYYJGYAEFIG-KRWDZBQOSA-N 359.853 4.117 30 50 FIEA COc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1 19772971 RUOIKHGKVSUZDP-JJIBRWJFSA-N 359.473 4.000 30 50 FIEA C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43759616 LFSRETZWVUHKLB-FQULXSMESA-N 356.506 4.245 30 50 FIEA C#CCOc1ccc(Br)cc1CNCc1ccc2ccoc2c1 2325736005 AUWKFGXTYHQHLN-UHFFFAOYSA-N 370.246 4.497 30 50 FIEA Cc1[nH]c(=S)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 705016 WSDZZIMOZWBUOF-UHFFFAOYSA-N 361.264 4.421 30 50 FIEA Cc1ccsc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1Cc1ccco1 1119841 WQWRMVGBEWQRSB-HNNXBMFYSA-N 369.398 4.021 30 50 FIEA N#CC1(CC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CCC1 1875266843 OGZNAQWHNANYRX-UHFFFAOYSA-N 362.433 4.031 30 50 FIEA C=C(C)Cn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 834867 IOTJLWAXZZFCLE-UHFFFAOYSA-N 369.446 4.098 30 50 FIEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)cc1 5669429 FXRMEWQEXBZFLT-UDWIEESQSA-N 352.463 4.493 30 50 FIEA C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccc1 32617896 METHVDVPWHMQJV-QQTULTPQSA-N 355.485 4.428 30 50 FIEA CO[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 331041020 CIWPBEKRCKUZDY-YWPYICTPSA-N 355.265 4.270 30 50 FIEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 4312411 IAZYXWVAQHNSQK-OAHLLOKOSA-N 362.212 4.202 30 50 FIEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 6420723 FDCKLLAKJQNSCV-HXUWFJFHSA-N 370.408 4.173 30 50 FIEA CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccc(F)cc2)o1 22109102 MLFFEOALULZLRZ-UHFFFAOYSA-N 353.393 4.499 30 50 FIEA CC1(C#N)CCN(C(=O)c2cccc(-c3ccc(O)c(Cl)c3)c2)CC1 426405156 OJYRFJZPZFFFJO-UHFFFAOYSA-N 354.837 4.478 30 50 FIEA C=CCOc1ccc(Br)cc1CNc1cccc(C(=O)O)c1 2862089 XUIHGCHUIWWKBV-UHFFFAOYSA-N 362.223 4.324 30 50 FIEA C=CCN1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 4385969 FVLDJDMKLJJCMG-BLRBJFNZSA-N 357.457 4.252 30 50 FIEA O=C1CCCC2=C1[C@H](c1cccs1)c1c(nn(-c3ccccc3)c1O)N2 12348012 CPXGTOBNXDXQQG-KRWDZBQOSA-N 363.442 4.204 30 50 FIEA COc1ccc(/C=C2/CCN(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 170591038 LANKABSVPJVGDM-SGAFJUGLSA-N 363.457 4.075 30 50 FIEA O/C(=N/Cc1ncc(-c2ccccc2)cn1)[C@@H]1C[C@]12CCOc1ccccc12 328605653 OMXAHQLSEKJWEN-CVDCTZTESA-N 371.440 4.341 30 50 FIEA C[C@](C#N)(/N=C(/O)CN1CCCC[C@@H]1c1nc2ccccc2o1)C1CC1 329995679 NOOYWUVCTLMSNW-OXQOHEQNSA-N 352.438 4.004 30 50 FIEA CC1(C)OB(c2ccc(Cl)c(NC(=O)C3CCCCC3)c2)OC1(C)C 405015126 XAXWPCNBRGUROV-UHFFFAOYSA-N 363.694 4.158 30 50 FIEA Cc1cc(N(CCO)CCC#N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 4774780 PIBTYZGGTBGGCN-QZQOTICOSA-N 353.382 4.031 30 50 FIEA N#Cc1c(N)nc2c(c1-c1ccoc1)CN(c1ccc(Cl)cc1)CC2 72129225 DPGBGADCLQHTKO-UHFFFAOYSA-N 350.809 4.012 30 50 FIEA CC(C)c1csc([C@@H]2CCCN(/C(O)=N/[C@H](C)[C@@H]3CCCOC3)C2)n1 329530986 WDJMIXHRUZEENE-BZUAXINKSA-N 365.543 4.175 30 50 FIEA N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(F)c1 4741547 IUJWLDIJGPCRQQ-UHFFFAOYSA-N 356.360 4.493 30 50 FIEA Cc1cc(C(=O)/C=C/c2ccc(COc3ccc4c(c3)CCC4)o2)n(C)n1 6527842 STHZPWHJZCCRIW-ZHACJKMWSA-N 362.429 4.285 30 50 FIEA CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 4168893 KXSJJYPCAKAUSV-HNNXBMFYSA-N 374.897 4.312 30 50 FIEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)Cc1cccc2ccccc12 4993798 QHVRZGURYWWBLE-UHFFFAOYSA-N 368.820 4.174 30 50 FIEA C[C@]1(/C(O)=N/Cc2nnc(C3CC3)n2C2CC2)CCc2ccccc2C1 329882429 PYJFVIMQRMYNOL-NRFANRHFSA-N 350.466 4.142 30 50 FIEA C[C@H]1CN(C(=O)c2cccc(/C(O)=N/C3CC3)c2)c2cccc(Cl)c2O1 330016263 PHBBYYKLUUXZLY-LBPRGKRZSA-N 370.836 4.235 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C 63832350 DDYDHZCFTODFJN-IRLDBZIGSA-N 363.505 4.444 30 50 FIEA Cc1c(C2CCCC2)nc(N)c(C#N)c1-c1cnc(N2CCCC2)s1 71419346 HMUGLQRZIYEDMG-UHFFFAOYSA-N 353.495 4.225 30 50 FIEA Cc1nc(C#N)c(N2CCC(/C(O)=N/[C@@H](c3cccs3)C3CC3)CC2)o1 328901913 ZRPVCJKUGADNEJ-QGZVFWFLSA-N 370.478 4.240 30 50 FIEA N#CCCn1cc(C(=O)Oc2ccccc2)c(-c2cc3ccccc3o2)n1 3415901 COEVMCQOQWDXEK-UHFFFAOYSA-N 357.369 4.429 30 50 FIEA C[C@H]1CC/C(=C/NCCCCCCN/C=C2/CC[C@H](C)CC2=O)C(=O)C1 22588774 JVPZUSSZOFCTNT-CVGJAPJBSA-N 360.542 4.272 30 50 FIEA Cc1nc(C2CCCC2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 333136799 XXZDRUXZBRBPSY-AWEZNQCLSA-N 364.474 4.486 30 50 FIEA C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1OC 2700937 SEAWLBUCZHCPCH-IEMQHYRPSA-N 363.504 4.260 30 50 FIEA COc1ccccc1N1CCN(/N=C/c2c(Cl)cccc2Cl)CC1 1051074 OGCZLJAWGBAZRJ-FYJGNVAPSA-N 364.276 4.158 30 50 FIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4916144 SDEWVBYMLBVFSO-CVEARBPZSA-N 351.471 4.315 30 50 FIEA O/C(=N/C[C@H]1CCC2(CCCCC2)O1)c1cncc(Br)c1 330051497 NOVVUSMMBPPLPP-CQSZACIVSA-N 353.260 4.031 30 50 FIEA C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(Br)cc1F 333140226 YPDRFOWJDCLBHW-APPDUMDISA-N 365.246 4.239 30 50 FIEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1O 1118947 KWRLRPAFPLZYKM-UHFFFAOYSA-N 368.418 4.037 30 50 FIEA N#CN/C(=N\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1 13282570 BOIPLTNGIAPDBY-UHFFFAOYSA-N 371.872 4.213 30 50 FIEA investigational Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1 170623852 OXAVMGZSKSLYSI-UHFFFAOYSA-N 372.833 4.149 30 50 FIEA N#Cc1cnc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c(Cl)c1 484465611 NUJMISQUKYBNLR-AWEZNQCLSA-N 357.816 4.156 30 50 FIEA C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 2838709 NACGKCKZGVOVMJ-UHFFFAOYSA-N 374.893 4.128 30 50 FIEA C#CCCC1(CCC(=O)N2CCc3ccsc3[C@@H]2c2cscn2)N=N1 1875381804 IDSIMYBTASGDLN-INIZCTEOSA-N 370.503 4.034 30 50 FIEA CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257356302 HHOPZZNLTLSBAF-UYQDLLKYSA-N 358.478 4.019 30 50 FIEA COc1ccc(C=O)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 680084 RVACASJHLNOAOQ-UHFFFAOYSA-N 366.364 4.394 30 50 FIEA CC(C)(C)O[C@H](/C(O)=N/CC/N=C(/O)c1ccccc1N)c1ccccc1 328591285 JEZZHTQWBRSPIX-SFHVURJKSA-N 369.465 4.086 30 50 FIEA N#Cc1ccccc1-c1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ccoc2)o1 72474983 HHFXVUCVJADSGU-JOCHJYFZSA-N 370.412 4.282 30 50 FIEA Cc1cccc(C/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328611089 KHHXOURUZJRKEL-SFHVURJKSA-N 357.454 4.168 30 50 FIEA CN(CCCNC(=O)c1cccc(-c2ccccc2C#N)c1)C1CCCC1 426428904 RRUXVSFPNLDXMA-UHFFFAOYSA-N 361.489 4.220 30 50 FIEA COc1cc(OC)c(/C=N/c2cccc(C(C)=O)c2)cc1Br 3152277 ZZPSNDAOUXYNFO-VXLYETTFSA-N 362.223 4.420 30 50 FIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4916151 SDEWVBYMLBVFSO-HZPDHXFCSA-N 351.471 4.315 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccccc1 5593826 FVRYMKDHGYPBNP-LJQANCHMSA-N 374.371 4.004 30 50 FIEA C=CCN(Cc1ccccc1Cl)C(=O)[C@H](c1cccnc1)N1CCCC1 55358892 AUYOBUPIMWIWCU-FQEVSTJZSA-N 369.896 4.087 30 50 FIEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 1155000 RGNRAQFYNKVRBF-LDADJPATSA-N 364.470 4.380 30 50 FIEA O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O 2891318 DZOYKSXPGHEGRD-FYJGNVAPSA-N 361.357 4.303 30 50 FIEA CCn1ncc(Br)c1C(=O)/C=C/c1ccccc1OC(F)F 6556026 FDPVGQZFLPOZBD-BQYQJAHWSA-N 371.181 4.163 30 50 FIEA C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 100549190 GTKXLBOZPDTRNC-GHTZIAJQSA-N 350.487 4.430 30 50 FIEA Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc2c(c1)OCO2 2980524 GPSVMKSLGOKTBA-UHFFFAOYSA-N 371.392 4.285 30 50 FIEA O=[N+]([O-])c1cc(/C=N/Nc2cccc3cccnc23)c(O)c2ccccc12 34098632 AGDCNMGCTNURFA-WSDLNYQXSA-N 358.357 4.448 30 50 FIEA Cc1ccc(C(=O)C(/C=N/O)=N/Nc2cc(Cl)cc(Cl)c2)cc1 100134054 ABZZAINUSUOQJQ-DBZXCDMESA-N 350.205 4.413 30 50 FIEA Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1 6527241 SVCOXFIESDCZNR-ZHACJKMWSA-N 362.429 4.285 30 50 FIEA N#CC1(c2ccccc2)CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 77299337 PSRJNCUVHIJTLC-UHFFFAOYSA-N 357.413 4.039 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)N=N1 952880060 IWAPZVMPYOXSEY-QGZVFWFLSA-N 351.450 4.295 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)N=N1 1875381896 KJSILKMCGZSQCM-UHFFFAOYSA-N 361.449 4.181 30 50 FIEA COc1c(Cl)cc(/C=N/NC(=S)NCc2ccccc2)cc1Cl 1185378 DJCWNDYUJASDGK-KEBDBYFISA-N 368.289 4.000 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 18244447 ABVZXJOLTMVWMG-HXUWFJFHSA-N 350.418 4.443 30 50 FIEA CCc1cccc2c1OCC[C@@H]2/N=C(/O)[C@H]1CCO[C@@H]1c1cccnc1 330054405 RXYSDLBVFZWDEJ-CMKODMSKSA-N 352.434 4.202 30 50 FIEA C#CCCC1(CCC(=O)N(C)Cc2csc(-c3ccccc3)n2)N=N1 2325886297 GDDWPZSAFFZFNY-UHFFFAOYSA-N 352.463 4.124 30 50 FIEA ClC(=NNc1ccccc1)c1ccc(I)cc1 257356650 JMUCAEJJADBMSF-UHFFFAOYSA-N 356.594 4.304 30 50 FIEA N#Cc1ccsc1N=C(O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 329036566 CJUKWHPTHAABLV-RCCFBDPRSA-N 351.475 4.476 30 50 FIEA C#CCCC1(CCC(=O)Nc2cccc(OCc3cscn3)c2)N=N1 1875381684 DJGNDLVZFABNLI-UHFFFAOYSA-N 354.435 4.016 30 50 FIEA CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 225416763 FBLUFKCVGVRYSE-MJGOQNOKSA-N 364.445 4.113 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 13285559 PCRVHRQVQBYERI-LJQANCHMSA-N 371.452 4.383 30 50 FIEA OC1=Nc2ccc(Br)cc2/C1=N/Nc1ccc2ccccc2n1 17137723 IBDGKFKZLHZGIH-UHFFFAOYSA-N 367.206 4.415 30 50 FIEA O=C(C(=CNCCc1ccc(O)cc1)C(=O)c1ccccc1)c1ccccc1 100691063 VTTLDLLZUBQDEM-UHFFFAOYSA-N 371.436 4.174 30 50 FIEA CC1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1 19858625 FTTKRWIAIFBRFY-UHFFFAOYSA-N 351.450 4.301 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C 253617412 LFSRETZWVUHKLB-JGVOIYKNSA-N 356.506 4.245 30 50 FIEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1 1857799201 QXRHFLKMYZLEIX-UXHICEINSA-N 371.440 4.389 30 50 FIEA COC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C 1156847 RVFZNHKWMSKZTM-UHFFFAOYSA-N 356.447 4.265 30 50 FIEA OCC#Cc1csc(CN2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)c1 65532448 LUVIDDSYDRGNSM-NRFANRHFSA-N 374.509 4.143 30 50 FIEA Cc1ccc2cc(B3OC(C)(C)C(C)(C)O3)n(C(=O)OC(C)(C)C)c2c1 169746270 DLJSHMNWOLUBTQ-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA in-vitro O/C(=N/[C@@H]1CCc2ccccc21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 329359200 XKNJHCFLAJLKSC-RTBURBONSA-N 373.460 4.210 30 50 FIEA OC(=Nc1nccn1Cc1ccccc1)[C@@H]1CCCCN1C1CCCC1 330112263 BUMRBNHAGRLDOZ-IBGZPJMESA-N 352.482 4.317 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 2878225 RHFWXNZJVHLSGY-INIZCTEOSA-N 352.419 4.221 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(O)c1O 18276441 GJQHXKXRJAGUTH-LJQANCHMSA-N 350.418 4.320 30 50 FIEA O/C(=N/[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CCCCO1 328720544 WERDOCHIAALJSW-CQSZACIVSA-N 361.442 4.268 30 50 FIEA O=C1C=C(c2ccccc2)C[C@@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 1030973 YVFUOIYANNQWPH-KXBFYZLASA-N 365.414 4.234 30 50 FIEA aggregator C/C(=N\Nc1cc(-n2cc(C)cn2)ncn1)c1ccc(Cl)c(Cl)c1 4947198 LOTIFLVTDQRRNT-SSDVNMTOSA-N 361.236 4.114 30 50 FIEA Cc1nc(NC(N)=S)sc1C(=O)/C=C/c1ccc(Cl)cc1Cl 5678642 SLLCDQIXXUMOTA-HWKANZROSA-N 372.302 4.310 30 50 FIEA C#CCN(CC=C)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 15069414 GXPQHJKTQUAOGU-UHFFFAOYSA-N 358.441 4.265 30 50 FIEA CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426395405 PNDVYVQDIFTBJA-HXUWFJFHSA-N 366.436 4.396 30 50 FIEA N#Cc1ccc(NCc2ccc(CNC(=O)CC3CCCCC3)cc2)cn1 1875340585 JHAVQKJNZOJVPA-UHFFFAOYSA-N 362.477 4.152 30 50 FIEA CN(C(=O)N1CCC[C@@H]1c1cc(Cl)ccc1F)c1cncc(C#N)c1 2325850358 VTYYOWZGIYRVID-QGZVFWFLSA-N 358.804 4.139 30 50 FIEA N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1cccc(Br)c1 637507 CTXXSALGPVWWTB-KRWDZBQOSA-N 353.219 4.469 30 50 FIEA O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)c3ccccc3C1=N2 4663951 NUQOCWFNLFYZNC-QUCCMNQESA-N 372.380 4.001 30 50 FIEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 5959267 DXEVMFQTSJLAGK-YBFXNURJSA-N 358.854 4.168 30 50 FIEA CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 71770167 JOIVCMKYTDBOIY-HEMSGXOPSA-N 356.506 4.491 30 50 FIEA N#Cc1cc(Br)ccc1NCC[C@@H]1NCCc2ccccc21 2325867020 HZACLHYUZWUPPC-SFHVURJKSA-N 356.267 4.010 30 50 FIEA C#CCSc1nc2ccccc2n1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 4247417 SXHRRAIYNNEIGN-ZHACJKMWSA-N 363.398 4.023 30 50 FIEA C=CCOc1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c1 12053965 GMJDMSYMEHZDAI-IBGZPJMESA-N 354.425 4.107 30 50 FIEA CC1(C)C[C@H](/N=C(/O)N2CC[C@H](n3cc(Cl)cn3)C2)c2ccccc21 329600467 KDCWYFIQUNIFJQ-YOEHRIQHSA-N 358.873 4.120 30 50 FIEA CCOc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 956503 YTSSTLGMDLYRPP-ZDUSSCGKSA-N 370.474 4.161 30 50 FIEA Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl 9087911 VYHPREHQRMTHSR-UFWORHAWSA-N 350.781 4.421 30 50 FIEA C=CCOc1c(Cl)cc(CN(C)[C@H](C)c2ccncn2)cc1OCC 55269867 AHOKAVXRQPVZBQ-CQSZACIVSA-N 361.873 4.287 30 50 FIEA CC1(C)OB(c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)OC1(C)C 170006259 DZXTWAPRNUSHCU-UHFFFAOYSA-N 354.299 4.159 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1cccs1 252481488 CMZNMHNXJCJBHN-PXNSSMCTSA-N 370.470 4.466 30 50 FIEA Cc1[nH]c(=O)c(C(=O)/C=C/c2ccc(Br)cc2)c2c1CCCC2 4954975 DXDJIRIHUSYMAH-DHZHZOJOSA-N 372.262 4.221 30 50 FIEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(Cl)cc1 7720780 FCCAWXSZCCECGQ-UHFFFAOYSA-N 367.836 4.147 30 50 FIEA C=C(C)[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72481822 FWENTROLZFINEH-JOCHJYFZSA-N 365.429 4.335 30 50 FIEA CC(C)c1cc(N=C(O)C(=O)Nc2nc(C3CC3)cs2)n(C(C)C)n1 328596592 GOCLWOSYBUZZKM-UHFFFAOYSA-N 361.471 4.148 30 50 FIEA CSc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 2352579 ZYJXRYCSFXRJCR-VCHYOVAHSA-N 360.895 4.491 30 50 FIEA Cc1ccc(/C=N/n2c(S)nnc2-c2cccc(OC(C)C)c2)s1 6199629 IAZCIZBXJIKCHP-VCHYOVAHSA-N 358.492 4.273 30 50 FIEA CCOc1ccc2c(c1)C(=O)/C(=C/NCCc1ccc(OC)cc1)S2 104131895 GIXSYKFEBYKXRE-UYRXBGFRSA-N 355.459 4.056 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 2055349 PCNDHAIVLABLEC-LJQANCHMSA-N 369.436 4.159 30 50 FIEA C[C@@H]1CCc2c(sc(NC(=O)C(C(F)(F)F)C(F)(F)F)c2C#N)C1 2192617 RPWBLWTWWSHPRO-ZCFIWIBFSA-N 370.318 4.424 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5952183 BUXWHIOIEROXSL-YUELXQCFSA-N 372.490 4.130 30 50 FIEA C=CCC(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 11873454 FDVXIAJFMYOOFQ-UHFFFAOYSA-N 362.473 4.415 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccnc1 100152141 JAYJHJDKCRHSKS-SFHVURJKSA-N 356.425 4.019 30 50 FIEA C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3CCCC[C@H]32)c1=S 125294803 WGSVHGOUGIJFSK-SJLPKXTDSA-N 369.538 4.274 30 50 FIEA CC1(C)OB(c2cc([N+](=O)[O-])ccc2Sc2ccccc2)OC1(C)C 216704602 OSBSAXCMDJENTQ-UHFFFAOYSA-N 357.240 4.045 30 50 FIEA N#Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 953488 NXTJHMNVCAGNRK-UHFFFAOYSA-N 360.744 4.031 30 50 FIEA C#CCCC1(CCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)N=N1 1875382099 QUXMKDWFAPYBSF-UHFFFAOYSA-N 366.465 4.500 30 50 FIEA N#Cc1c2c(c(Nc3cccc([N+](=O)[O-])c3)n3c1nc1ccccc13)CCC2 886125 PIAJDYLRMMLGEP-UHFFFAOYSA-N 369.384 4.500 30 50 FIEA N#Cc1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCCCC2 13327603 YZMODXWYSRGXNB-UHFFFAOYSA-N 368.458 4.302 30 50 FIEA O/C(=N/[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCC(c2cc[nH]n2)CC1 330000310 WFLSELLBSVWMEG-JCNLHEQBSA-N 358.873 4.103 30 50 FIEA Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)NC1=O 4793495 KYNXUEYFIYCOPV-BTVXTAIASA-N 373.481 4.312 30 50 FIEA Cc1ccsc1/C=N/n1c(S)nnc1-c1cccc(OC(C)C)c1 6082833 BQHQZIAMJFWPFO-VCHYOVAHSA-N 358.492 4.273 30 50 FIEA CCCCn1ccnc1[C@H]1CCCN(c2nc(C(C)C)ccc2C#N)C1 95383943 JBJYSVXAVXAEHV-SFHVURJKSA-N 351.498 4.457 30 50 FIEA CC(C)(C)C1CCC(C#N)(NC(=O)c2ccncc2Br)CC1 187289951 YSYLNJAEELIEPW-UHFFFAOYSA-N 364.287 4.073 30 50 FIEA O/C(=N/CCc1cnccn1)N1CCCCC[C@H]1c1ccc(Cl)cc1 329353577 FDWCKWDSVYLCKR-SFHVURJKSA-N 358.873 4.204 30 50 FIEA CC(C)c1ccccc1NC(=O)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 2325701855 DOAQLSHNKBMJRE-CQSZACIVSA-N 355.869 4.452 30 50 FIEA COc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1OC 1006179 XSAIUJFIOGAUIT-UHFFFAOYSA-N 350.418 4.291 30 50 FIEA C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 5047523 CMTTUFLRINCIJG-UHFFFAOYSA-N 374.849 4.426 30 50 FIEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1ccco1 8970659 XPCMPMJIYXGPQP-ASSNKEHSSA-N 350.418 4.443 30 50 FIEA O=C(/C(=N/Nc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1ccccc1 100405162 DQFXRDITGGVGHD-XKZIYDEJSA-N 354.715 4.122 30 50 FIEA CC(=O)N(C)c1cccc(N=C(O)c2c(C)cccc2Br)c1 328593729 BLWAOEFKJXWAHX-UHFFFAOYSA-N 361.239 4.377 30 50 FIEA O/C(=N/C1CC1)[C@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(F)cc1 328619969 GOSHSTOCMOZBAD-DUXKGJEZSA-N 368.452 4.353 30 50 FIEA CN(C)[C@@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccc(F)cc1 334162285 LRFIIAUFLHYUSI-SFHVURJKSA-N 368.387 4.206 30 50 FIEA C#CCCC1(CCC(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)N=N1 1875381983 MXHGFRFJMIVTCB-UHFFFAOYSA-N 361.449 4.250 30 50 FIEA O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253413889 VXPSNLRVOZLKOG-LTKMBJGESA-N 374.348 4.042 30 50 FIEA biogenic CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 254507932 SUCNAJORKZIPDF-ANIZBGBVSA-N 372.505 4.265 30 50 FIEA CCOC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 868685 NVNBHRDZBHKUDE-UHFFFAOYSA-N 366.364 4.294 30 50 FIEA O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253413890 VXPSNLRVOZLKOG-PMFHANACSA-N 374.348 4.042 30 50 FIEA biogenic C#CCCC1(CCC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)N=N1 2325886099 OIBREFAHEUETJY-OAHLLOKOSA-N 370.522 4.084 30 50 FIEA C#CCCC1(CCNC(=O)c2oc3ccccc3c2COC(C)C)N=N1 2325891219 YTBFGCVZHSDBIP-UHFFFAOYSA-N 353.422 4.053 30 50 FIEA CN(CCOc1ccccc1C#N)c1c(C#N)cnc2ccc(Cl)cc12 2325737363 QPPAHPAMUPPRRQ-UHFFFAOYSA-N 362.820 4.147 30 50 FIEA C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1cccs1 19771422 YUZJKYFZDZVAHH-NKFKGCMQSA-N 361.514 4.489 30 50 FIEA Cc1cccc(-c2n[nH]c(/N=C(\O)N3CCc4c(Cl)cccc4C3)n2)c1 63868450 KWXKXMCUBGFKCA-UHFFFAOYSA-N 367.840 4.037 30 50 FIEA CCOC(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 71769403 ZFKFZRFKOJXOTQ-TZIWHRDSSA-N 352.386 4.224 30 50 FIEA CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(Cl)cc1 100988874 OAMWNCSRZPENCH-QJKHVWQHSA-N 373.821 4.482 30 50 FIEA Cc1cc(N2CCC[C@H](/N=C(/O)CC3CC(c4ccccc4)C3)C2)n(C)n1 328847870 VUIVEZALDQIFFH-UUKMXZOPSA-N 366.509 4.238 30 50 FIEA CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 1187460 FTZMJFQBPYBQRI-UHFFFAOYSA-N 360.196 4.223 30 50 FIEA O=S1(=O)CC/C(=N\Nc2cc(Cl)ccc2Cl)c2ccsc21 5670734 GGQRZNABIISPIF-LFIBNONCSA-N 361.275 4.049 30 50 FIEA C[C@H](/N=C(/O)[C@H]1CCN(C)[C@@H](C)C1)[C@@H](c1ccccc1Cl)n1cccn1 328591632 BZVVFSYUOQBDRE-FPXQBCRKSA-N 374.916 4.201 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 19535497 NTUDSTFNSAYLBB-HXUWFJFHSA-N 369.436 4.279 30 50 FIEA CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1 19923527 ONBOMEZRDSAXBT-DNVCBOLYSA-N 359.466 4.196 30 50 FIEA Cc1cc(C)cc(-c2cc(NC(=O)c3c(F)cc(C#N)cc3F)[nH]n2)c1 130268961 YRBUZPCTLSWLTB-UHFFFAOYSA-N 352.344 4.096 30 50 FIEA Cc1cc(N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(C#N)cn1 425266376 HLUNEIJZRFPJKJ-UHFFFAOYSA-N 352.385 4.121 30 50 FIEA N#Cc1cccc(C2(c3nc(-c4ccnc(N5CCCC5)c4)no3)CCC2)c1 952994793 RHYQNHWRSANJEU-UHFFFAOYSA-N 371.444 4.073 30 50 FIEA CC(C)(C)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 2321400 GVAUEPQAGULGIP-FYJGNVAPSA-N 366.490 4.326 30 50 FIEA O=[N+]([O-])c1ccc(NCC/N=C\c2cc(Cl)cc(Cl)c2O)cc1 5224146 TZQDTQHPWRYIAP-NVMNQCDNSA-N 354.193 4.138 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 19833190 PGKQAVXAGFHWQZ-LPYMAVHISA-N 362.304 4.454 30 50 FIEA C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(CC#N)c1ccccc1 170656019 XLPSAGDQYACNOQ-CQSZACIVSA-N 361.367 4.376 30 50 FIEA COCC1(N(C)C(=O)c2ccc(-c3ccc(C#N)c(Cl)c3)cc2)CC1 426433625 JHGYPKKPXAYFED-UHFFFAOYSA-N 354.837 4.130 30 50 FIEA CCCCN(CCCC)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170004645 BKSFUAQWNVTGQL-UHFFFAOYSA-N 359.319 4.028 30 50 FIEA COc1cccc([C@@H]2CCCN2CCCC(=O)Nc2ccc(C#N)cc2)c1 244723907 MJTYEYAUOCUYDI-NRFANRHFSA-N 363.461 4.123 30 50 FIEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl 5451321 FDONEGJAEZZVLG-UHFFFAOYSA-N 353.809 4.218 30 50 FIEA Cc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)o1 1478096 PVLOREOWKJSJAM-REZTVBANSA-N 353.234 4.324 30 50 FIEA C=CCC1(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)CC1 2325820217 HEKCNSZGZNDGOU-UHFFFAOYSA-N 374.333 4.487 30 50 FIEA CC1(C)C(O)=Nc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 328901272 YWPFRHVHFZIFPF-XLIONFOSSA-N 373.456 4.478 30 50 FIEA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 71770711 RRHHMFQGHCFGMH-VAFIVCJBSA-N 354.490 4.450 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2ccc(F)cc2Br)cc1 1165655 VLMAVKBAQOFQFH-CMDGGOBGSA-N 350.187 4.405 30 50 FIEA CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(OC)c1 19923530 YUIAOTDSUUDFEL-BEFAXECRSA-N 359.466 4.196 30 50 FIEA CC(C)[C@@H]1CC[C@@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)C1=O 32603849 PBMVZXBUWLFUMN-UIAIXCAPSA-N 357.450 4.145 30 50 FIEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3Cl)o2)cc1 170623827 HSENFVZXUNKFNR-UHFFFAOYSA-N 372.833 4.149 30 50 FIEA O=C(C[n+]1ccc(CCSc2ccc(F)cc2)cc1)c1ccccc1 1959602 OLCUXBBVEMVPJU-UHFFFAOYSA-N 352.454 4.331 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1 3883271 AEZUZXYVWGQRLK-TZIWHRDSSA-N 350.414 4.015 30 50 FIEA N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 12524211 NIMNLLIEQSFNSB-BHDDXSALSA-N 365.436 4.067 30 50 FIEA CCCOc1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 1819204 IJQANIXFLNGWBH-DEDYPNTBSA-N 368.462 4.287 30 50 FIEA CCCN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4993638 LPSOSAPSOQPUHN-UHFFFAOYSA-N 371.289 4.129 30 50 FIEA C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1C 5093158 XBMCZXJTRQTBRS-UHFFFAOYSA-N 368.437 4.152 30 50 FIEA C=CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12040346 FFWNKDRNNVBZOJ-CQSZACIVSA-N 361.363 4.368 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2ccccc2)cn1 65435200 ZTACFWSVSLFONS-OAQYLSRUSA-N 370.456 4.333 30 50 FIEA Cc1ccc2[nH]c([C@H]3CCCN(c4ncc(C#N)cc4Cl)C3)nc2c1 302111262 AMKOMNCIOFLEKP-AWEZNQCLSA-N 351.841 4.175 30 50 FIEA Cc1cc(NC(=O)N2CCc3c(Cl)cccc3C2)c(C#N)cc1N(C)C 328595695 AVJXEBHOZSVTOI-UHFFFAOYSA-N 368.868 4.176 30 50 FIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(SC)cc2)cc1 1241068 SDCOMVXXKDHLTO-WOJGMQOQSA-N 356.476 4.220 30 50 FIEA Cc1cc(-c2cc(-c3cnc(N(C)C)s3)c(C#N)c(N)n2)c(C)s1 67514444 BLJBFSHXMZGWKL-UHFFFAOYSA-N 355.492 4.070 30 50 FIEA COCc1ccc(C/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(OC)cc23)cc1 328606763 SXHVGULUGKCYDP-DENIHFKCSA-N 367.445 4.039 30 50 FIEA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]12 4976833 OYAYDMDBQZWWHI-JSNMRZPZSA-N 358.397 4.052 30 50 FIEA COc1ccc(C/N=C(/S)Nc2ccc(Br)cc2)cc1 1152506 SCNDHLLIIODXRN-UHFFFAOYSA-N 351.269 4.356 30 50 FIEA C=CCn1c(=N)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21 19952143 UZPYKAOIRVNNSS-UHFFFAOYSA-N 362.260 4.494 30 50 FIEA FC(F)(F)C(F)(OC(F)(F)C(F)(F)Br)C(F)(F)F 100045410 NNJIYASXBPPIGU-UHFFFAOYSA-N 364.936 4.374 30 50 FIEA in-vitro C[C@H](/N=C(/O)[C@@H]1C[C@]12CCOc1ccccc12)c1nc(C2CCCC2)no1 328602760 CVLJVEGGJQIVAY-PCMMCCAGSA-N 367.449 4.485 30 50 FIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(SC)cc1 6007491 YONAWSHMCYTPNU-WOJGMQOQSA-N 356.476 4.220 30 50 FIEA C=CCN(CC=C)C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2778633 XOEFAIVHWCCNLG-UHFFFAOYSA-N 369.314 4.229 30 50 FIEA C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 12342675 SHXVMUKLMSTPEN-LDADJPATSA-N 367.401 4.074 30 50 FIEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 12575969 HUWORFFVVUVYPL-HSZRJFAPSA-N 368.521 4.117 30 50 FIEA CCOc1ccc(C[C@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 16675530 COKJUVAWPPQMNC-MRXNPFEDSA-N 360.866 4.201 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)nc2ccccc12 2325790014 DWESOZCFSAVEAH-JOCHJYFZSA-N 371.444 4.028 30 50 FIEA C=CCn1c(SCC(=O)O)nnc1-c1sc2ccccc2c1Cl 795726 IZUNXKRCHCIMNH-UHFFFAOYSA-N 365.867 4.176 30 50 FIEA COc1ccc(/C(C)=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4527973 AXWKFSDOBIHKEX-WSDLNYQXSA-N 352.463 4.415 30 50 FIEA C[C@H](C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 225525339 QFBQLXDSHZHVQU-WIZMWCRPSA-N 353.425 4.363 30 50 FIEA Cc1cc2c(cc1N=C(O)N1CCCC[C@H]1Cc1ccccc1)OCO2 329700789 GXTKCOYDQHRPCL-KRWDZBQOSA-N 352.434 4.366 30 50 FIEA C=CCOc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)cc(=O)c2c1 1978098 SSFHSXADDYTINJ-UHFFFAOYSA-N 368.385 4.051 30 50 FIEA O=C1C(Nc2cc(F)cc(F)c2)=C(N2CCCCC2)C(=O)c2ccccc21 4819467 MZCPTYBTLOKMEH-UHFFFAOYSA-N 368.383 4.153 30 50 FIEA COc1ccc(/C=C(/C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc1 4953407 PPYSTNMWJLRWGP-XSFVSMFZSA-N 359.425 4.424 30 50 FIEA C=C1C[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@@H](O)CCCCC 27639347 ROZAFJXVUNORLT-SFIVEXQWSA-N 350.499 4.238 30 50 FIEA in-vitro N#CCc1ccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 183279100 WJPMFTFJTVBBDL-HNNXBMFYSA-N 369.293 4.456 30 50 FIEA COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2cccs2)C1=O 5059502 MYKJZECCCZNBFJ-GZTJUZNOSA-N 353.443 4.242 30 50 FIEA O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 816227 IULQJSLODVDDNP-TZMCWYRMSA-N 357.862 4.406 30 50 FIEA CC(=O)O[C@H]1C[C@H](C(C)=O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]12 71770691 KUSJDBHAQDMGBZ-BZAAGZFKSA-N 370.489 4.041 30 50 FIEA Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 252467293 ANYSKZGJSBHZPP-QDOPHKGPSA-N 362.473 4.244 30 50 FIEA C=CCOc1ccccc1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 173252573 FRPCZWMWRHNBOP-CQSZACIVSA-N 355.438 4.173 30 50 FIEA C#C[C@H](OC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccc(Cl)cc1F 225858344 JQBDBLNJUYYDRM-PVUWLOKVSA-N 350.817 4.338 30 50 FIEA C#CCn1/c(=N\C(=O)Nc2ccc(Cl)cc2)sc2cc(C)ccc21 1230453 STKLOWCVWLVSDU-DYTRJAOYSA-N 355.850 4.431 30 50 FIEA C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccc1 19835398 METHVDVPWHMQJV-LKUDQCMESA-N 355.485 4.428 30 50 FIEA COc1cc(Br)c(O)c(/C=N/Cc2ccc(Cl)cc2)c1 100318587 OSNAMLJWCONQHT-GIJQJNRQSA-N 354.631 4.436 30 50 FIEA O/C(=N/[C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@@H]1CC1CCCCC1 329453787 MDKJCTOQJBUOAI-HSALFYBXSA-N 357.498 4.260 30 50 FIEA C[C@@H]1Oc2ccccc2[C@@H]1N/C(O)=N/[C@H]1CCCOc2c(F)cccc21 329607999 BLKXIDBWGHRVOF-ULFGMLNVSA-N 356.397 4.065 30 50 FIEA CCCCN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC(=O)N2C 2325742317 JUIGMNAJRVTPKM-UHFFFAOYSA-N 361.489 4.270 30 50 FIEA Brc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 3038121 NTKQBWWPOWMUGI-VXLYETTFSA-N 373.279 4.215 30 50 FIEA Cc1nc(C#N)c(N2CCC(/C(O)=N/[C@H](c3cccs3)C3CC3)CC2)o1 328901912 ZRPVCJKUGADNEJ-KRWDZBQOSA-N 370.478 4.240 30 50 FIEA COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2C#N)cc1OC 1154392 ZRODUQBCCKLIMP-UHFFFAOYSA-N 363.417 4.194 30 50 FIEA aggregator N#Cc1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 82107614 BSLDTSVIDBWADY-UHFFFAOYSA-N 374.362 4.261 30 50 FIEA C=CCN1C[C@@H](C)N(C(=O)c2cccc(-c3ccc(NC)cc3)c2)C[C@H]1C 299795984 NHZFVJBUPTYOOS-QZTJIDSGSA-N 363.505 4.116 30 50 FIEA CSc1cccc(CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C(C)C)c1 1506427150 VHPAKLNVNYGMCX-UHFFFAOYSA-N 371.502 4.175 30 50 FIEA Sc1nnc(-c2cccc(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 6062603 SSSJCXOUBMTSNQ-KEBDBYFISA-N 353.838 4.251 30 50 FIEA C#CCCC1(CCC(=O)N2CCc3ccsc3[C@H]2c2cscn2)N=N1 1875381805 IDSIMYBTASGDLN-MRXNPFEDSA-N 370.503 4.034 30 50 FIEA N#Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])n2ccc3ccccc3c12 4542293 AAJRPDQNMFLXGI-UHFFFAOYSA-N 356.341 4.125 30 50 FIEA CCCOc1ccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)cc1 6779048 SPCIPTULBQGYFE-DEDYPNTBSA-N 368.462 4.287 30 50 FIEA CC1(C)[C@@H](C(F)(F)F)CCN1/C(O)=N/Cc1coc(-c2cccs2)n1 329886986 WWPZPBAZJKUVFY-LBPRGKRZSA-N 373.400 4.480 30 50 FIEA C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CCc1ccccc1 13154962 UNMNQJGQYLXPDS-DYESRHJHSA-N 354.450 4.138 30 50 FIEA C=CCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O 15011150 UPWHKWHNKOZMTQ-BOPFTXTBSA-N 361.463 4.342 30 50 FIEA CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(F)cc3C#N)c2)cc1 125865086 DHSSJAVQKVLMNO-UHFFFAOYSA-N 360.392 4.078 30 50 FIEA Oc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 252429307 BFZLXIJBXOGTLL-UHFFFAOYSA-N 369.468 4.114 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@]4(C)CC(=O)[C@H]32)C1 257356568 JAZBMNIJZWDVQJ-DCVKFYAHSA-N 372.505 4.265 30 50 FIEA N[C@@H](COc1ccc(C(F)(F)F)cn1)c1ccc(F)c(C(F)(F)F)c1 1875304152 BMWUFUCHGBMXGS-LBPRGKRZSA-N 368.252 4.337 30 50 FIEA Cc1cc(F)cc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 1875359526 HGRWQXSASOYGDR-UHFFFAOYSA-N 352.456 4.166 30 50 FIEA C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1cccnc1 1473009 UTUHFMMYYSZHBU-UHFFFAOYSA-N 353.429 4.403 30 50 FIEA C=CCNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 2179210 WZNHJLQFTZURNJ-UHFFFAOYSA-N 374.893 4.128 30 50 FIEA CCOC(=O)NC(Nc1cc(F)ccc1C)(C(F)(F)F)C(F)(F)F 2937632 NYERTDFFRRVKON-UHFFFAOYSA-N 362.245 4.113 30 50 FIEA C[C@H](C(=O)O)n1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c2ccccc21 72143493 JDORJADVLJLXRI-GFCCVEGCSA-N 372.384 4.063 30 50 FIEA Cc1cc(C#N)ccc1N(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 150725122 STBWNVWMGAPAAR-UHFFFAOYSA-N 360.392 4.001 30 50 FIEA O=[N+]([O-])c1cccc(N=C/C=C/C(O)=C/Nc2cccc([N+](=O)[O-])c2)c1 254589807 TZUBHFHQHQNIEQ-BDYNACFHSA-N 354.322 4.273 30 50 FIEA O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 816226 IULQJSLODVDDNP-GXTWGEPZSA-N 357.862 4.406 30 50 FIEA COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc([N+](=O)[O-])cc3)C2)cc1OC 3894017 DAOGDTKBDOELAA-AWEZNQCLSA-N 368.389 4.055 30 50 FIEA C=C(C)C/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13634435 QLBXNHXWMVSJHG-UHFFFAOYSA-N 365.546 4.256 30 50 FIEA Fc1ccc(NC(=S)N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1 17074070 PEGGKLXQXAJFQO-ODCIPOBUSA-N 359.323 4.304 30 50 FIEA CCCCCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O 137084200 YZBAMTUXUHIYCQ-GOSISDBHSA-N 353.503 4.078 30 50 FIEA CC1(C)OB(/C=C(\B2OC(C)(C)C(C)(C)O2)c2ccccc2)OC1(C)C 169807882 VQWACXAYGMFHOQ-PEZBUJJGSA-N 356.080 4.333 30 50 FIEA Cc1ccc(-c2[nH][nH]c(=NC(O)=Nc3cc(Cl)ccc3N(C)C)c2C)o1 328596644 KPOGZWMUBZUHHG-UHFFFAOYSA-N 373.844 4.085 30 50 FIEA O/C(=N/C1CC1)[C@@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(F)cc1 328619970 GOSHSTOCMOZBAD-JRGCBEDISA-N 368.452 4.353 30 50 FIEA CCC(CC)C(=O)N1CCC2(CCN(Cc3ccccc3C#N)CC2)CC1 72135535 YNOMGJCKOQZTRU-UHFFFAOYSA-N 367.537 4.199 30 50 FIEA CN(C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1F 238901114 LAPSQFBVJHRYHZ-GOSISDBHSA-N 368.387 4.206 30 50 FIEA N#C[C@]1(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)CC12CCCC2 333896309 RPCOCXMOIYSDFW-KRWDZBQOSA-N 351.233 4.193 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(-c3n[nH]c4c3CCCC4)cc2)N=N1 1875387670 RQYLUMMDOUACDP-UHFFFAOYSA-N 361.449 4.250 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 1058682 CDOBKEPDCHOTLR-HXUWFJFHSA-N 351.446 4.140 30 50 FIEA C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 1154829 RFBDVJNMIXEWNE-CPNJWEJPSA-N 363.438 4.244 30 50 FIEA Cc1ccc(CN2C(=O)/C(=N/Nc3cccc(F)c3)c3ccccc32)cc1 100327126 PFPTWAKFKKFZPH-NJNXFGOHSA-N 359.404 4.497 30 50 FIEA CCc1cc(C#N)c(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)s1 119951070 KXXURXJWWHNATH-UHFFFAOYSA-N 356.838 4.274 30 50 FIEA N#Cc1c(-c2ccccc2)ccn(Cc2cccc(C(F)(F)F)c2)c1=O 1401907 XTTYYOXWLNEMFN-UHFFFAOYSA-N 354.331 4.454 30 50 FIEA CCCCS(=O)(=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 3127996 MIFSDCJEELJDTH-VUZGARFFSA-N 356.487 4.430 30 50 FIEA CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1ccc(Cl)cc1 100988415 QXXWMRGRQYHKTG-DOOOOMTHSA-N 372.833 4.272 30 50 FIEA Cc1ccc2[nH]c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c(C)c2c1 163653871 VRZCDNCIJNPBIF-UHFFFAOYSA-N 373.456 4.340 30 50 FIEA CC(C)n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H]1C[C@H]1c1ccccc1F 328606138 QNTCWUJUSWRYNK-BVYOLEPJSA-N 357.429 4.193 30 50 FIEA N#Cc1cc2c(cc1C#N)-n1c(-c3ccccc3)nnc1-c1ccccc1O2 892054 UALAFHQBMJKWIW-UHFFFAOYSA-N 361.364 4.450 30 50 FIEA N#C[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)N1Cc1ccccc1 1120817 MOWCTZRQNKKJKN-XMMPIXPASA-N 368.436 4.417 30 50 FIEA CCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CCCC1=O 100140052 OHZIVIVRSHYQMS-UHFFFAOYSA-N 352.478 4.293 30 50 FIEA O=C(NCc1ccc(Cl)cc1)c1ccc(C#CC2(O)CCCCC2)cc1 5048014 VOLAVEDHZOAIBJ-UHFFFAOYSA-N 367.876 4.317 30 50 FIEA CC(=O)O[C@@]1(C#N)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500035 UJVLVOCWWBXPQK-NPQLIOMISA-N 355.478 4.344 30 50 FIEA biogenic CN(C)[C@@H](/C(O)=N/CC1(c2ccc(F)cc2)CCCCC1)c1cncn1C 328592865 PIAQHBUJURKWGV-LJQANCHMSA-N 372.488 4.021 30 50 FIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4914566 UADDQDCHQPKKMB-MJGOQNOKSA-N 363.432 4.392 30 50 FIEA COc1ccc(CN2CCC[C@@H](C#N)C2)cc1OCc1cccc(F)c1 97642600 BAOXPXYNJZKQQY-SFHVURJKSA-N 354.425 4.149 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 16771404 DXTMCFZBFJNDOP-CQSZACIVSA-N 350.365 4.167 30 50 FIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1 17159532 YWGVZRGVOKBRJO-RQZCQDPDSA-N 359.798 4.051 30 50 FIEA C[C@@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 170625321 IVGNIFOSJQQLFM-DNVCBOLYSA-N 352.507 4.457 30 50 FIEA O/C(=N/[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CCCCO1 328720540 WERDOCHIAALJSW-AWEZNQCLSA-N 361.442 4.268 30 50 FIEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)N=N1 2325891897 ADALKNJSWPBGBL-OAQYLSRUSA-N 371.444 4.124 30 50 FIEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)N=N1 2325894798 QGBWYOCIMZLGMH-SFHVURJKSA-N 366.509 4.033 30 50 FIEA C(#CCSc1nc2ccccc2[nH]1)CSc1nc2ccccc2[nH]1 1855390 KSIZODDQGJAOTG-UHFFFAOYSA-N 350.472 4.327 30 50 FIEA CCOc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)cc1 5959258 YFOVNVVJRKUFNU-YBFXNURJSA-N 358.854 4.168 30 50 FIEA O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914640 LXYMGKZOHDWRAO-CZUORRHYSA-N 369.823 4.483 30 50 FIEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 1232415 QLVZLZDIRUIEPW-OQKWZONESA-N 364.470 4.365 30 50 FIEA CCCSC1=N/C(=C\c2ccc(OC(C)=O)c(Cl)c2)C(=O)S1 4915457 KWZONKVAMVGOMV-WQLSENKSSA-N 355.868 4.379 30 50 FIEA COc1cccc([C@H]2CCCN2CCCC(=O)Nc2ccc(C#N)cc2)c1 244723908 MJTYEYAUOCUYDI-OAQYLSRUSA-N 363.461 4.123 30 50 FIEA Sc1nnc(-c2cccnc2)n1/N=C/c1cccc(Oc2ccccc2)c1 1246356 OPOMNLALNANNGC-LPYMAVHISA-N 373.441 4.303 30 50 FIEA CCC[C@H]1Cc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)CO1 2221414 RJSIYBVORBSDLC-ZETCQYMHSA-N 367.685 4.170 30 50 FIEA C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 3927200 METQSPRSQINEEU-HXCATZOESA-N 366.501 4.306 30 50 FIEA fda CCn1ccc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3F)o2)n1 6637298 AJFOMFXMFOFQBL-VOTSOKGWSA-N 358.344 4.249 30 50 FIEA O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1 95857686 TZQDTQHPWRYIAP-GIJQJNRQSA-N 354.193 4.138 30 50 FIEA CN(C)C(=NC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C 4837606 OWJQJBVJSBCKKQ-UHFFFAOYSA-N 357.501 4.458 30 50 FIEA C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2ccc(Cl)cc2)SC1=S 6295708 QWMWJAWSJQHFKS-MDWZMJQESA-N 361.879 4.117 30 50 FIEA C[C@H]1/C(=C/c2cnc(-c3ncccn3)s2)C(=O)c2c(O)ccc(Cl)c21 170657525 QWDFAFYZXPPYQS-MKVDPYIPSA-N 369.833 4.343 30 50 FIEA CC1(C#N)CCN(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 670466598 DIDYHBJEDVTOLK-UHFFFAOYSA-N 357.841 4.435 30 50 FIEA O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2cccs2)c([N+](=O)[O-])c1 4947422 MBSZXUYPWLESKZ-HTXNQAPBSA-N 368.374 4.429 30 50 FIEA COc1ccc(/C(C)=N\N2CCN(Cc3cccc4ccccc34)CC2)cc1 19773098 OXEPDTAVGYGRFC-PLRJNAJWSA-N 373.500 4.390 30 50 FIEA O=C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 38933227 AAAFQLPJNOITCL-SFHVURJKSA-N 371.436 4.335 30 50 FIEA C=CCc1cccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1O 2522902 UUSTXMITEPWKEV-RGVLZGJSSA-N 354.410 4.063 30 50 FIEA Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2Cl)o1 6827529 KWINEORYTPQINJ-WAYWQWQTSA-N 360.772 4.281 30 50 FIEA O/C(=N/Cc1cn2ccsc2n1)Nc1ncc(C2CCCCC2)s1 329289706 AGGHGLBIPCGPQW-UHFFFAOYSA-N 361.496 4.426 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 2055104 DNRGXBOXDKACFI-SFHVURJKSA-N 357.837 4.037 30 50 FIEA C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O 257357511 OKHAOBQKCCIRLO-SOHDRNMZSA-N 354.490 4.171 30 50 FIEA CC(=O)O[C@H]1C[C@@H]2[C@H]3CC[C@@H](C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 254507935 SUCNAJORKZIPDF-YPNMBDMMSA-N 372.505 4.265 30 50 FIEA CC(C)(C)OC(=O)Nc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1F 198447473 CVZYUPSHMKRFAB-UHFFFAOYSA-N 371.645 4.125 30 50 FIEA in-vitro O=C(/C=C\Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1 754706 IEGXPBVFVXRTFA-NXVVXOECSA-N 363.438 4.328 30 50 FIEA CC(=O)/C(=N\c1ccc(Br)cc1)NNc1ccc(Cl)cc1 6194683 PEAVRMPCHRITSD-UHFFFAOYSA-N 366.646 4.338 30 50 FIEA C#CCCC1(CCC(=O)NCc2ccccc2CN2CCCCCC2)N=N1 952883068 UERSIYQRZQKPHK-UHFFFAOYSA-N 366.509 4.035 30 50 FIEA O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F 2839638 LRSCXAZTJXRCCO-DXRVJIQQSA-N 352.327 4.447 30 50 FIEA CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1 1542199 OGQICQVSFDPSEI-UHFFFAOYSA-N 351.471 4.432 30 50 FIEA biogenic,fda c1ccc(/N=C(/Sc2nc3ccccc3s2)N2CCOCC2)cc1 5734941 YZDYZYIXHLFFBB-HTXNQAPBSA-N 355.488 4.408 30 50 FIEA COc1ccc(C)cc1N/C(S)=N\[C@@H](C)c1ccc(OC)c(OC)c1 13519221 FBWZSXFTIGVJNG-ZDUSSCGKSA-N 360.479 4.480 30 50 FIEA Cc1c(C/N=C(/O)[C@H]2CCc3nn[nH]c3C2)sc2ccc(Cl)cc12 329150263 ZJVUENMLZCYCBG-JTQLQIEISA-N 360.870 4.243 30 50 FIEA CC(=O)Nc1ccc(/C=C2\CC/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 4614459 DJGZTKZVTWOSRP-IWGRKNQJSA-N 374.440 4.433 30 50 FIEA CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)CCCCC2 4620414 ITESFUWMFKFOBF-UHFFFAOYSA-N 372.412 4.286 30 50 FIEA C=CCc1cc(CN2CCCC[C@H]2CCn2ccnc2C)ccc1OC 1506421822 MBBOSNPYCVHIDP-NRFANRHFSA-N 353.510 4.373 30 50 FIEA CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CCC2 3901591 SPWYVLPGBAENLZ-HXUWFJFHSA-N 369.461 4.006 30 50 FIEA CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)O 170627460 MMKOTUZOQXEQDG-UHFFFAOYSA-N 374.384 4.151 30 50 FIEA COc1ccc(-c2nnc(S)n2N=C/C(C)=C/c2ccccc2)cc1 252429393 KIHBGSRERCPUDK-VAIPQXABSA-N 350.447 4.180 30 50 FIEA O=C1C=CC(=CN=NC(O)=C2C=CN(CC(=O)c3ccccc3)C=C2)C=C1 334157257 HJSDVDHEJGHSNE-UHFFFAOYSA-N 359.385 4.013 30 50 FIEA CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(C)C 4115351 JRTMCBDREVZODS-UHFFFAOYSA-N 363.509 4.374 30 50 FIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4914569 UADDQDCHQPKKMB-IEBWSBKVSA-N 363.432 4.392 30 50 FIEA Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 6062599 SSIDVJHCUGWXRD-KEBDBYFISA-N 353.838 4.251 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@H](C)c2ncnn2CC)cc1Cl 55282969 HXWRFZVHNFCJIX-LLVKDONJSA-N 355.269 4.020 30 50 FIEA COc1ccc2c(c1)OCCC/C2=N/Nc1ccc(C(=O)O)c(Cl)c1 1875259870 QMYKPTQLIBYIHR-PGMHBOJBSA-N 360.797 4.036 30 50 FIEA CCOc1ccc(S/N=C/c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 829347 CIDIYYGXKVVLDK-WOJGMQOQSA-N 362.407 4.137 30 50 FIEA Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C 951219 KZMBEAIFTMYWAF-UHFFFAOYSA-N 354.475 4.441 30 50 FIEA N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1cccc2c1OCO2 1142170 YQBOYCDUPUQDOY-UHFFFAOYSA-N 353.765 4.207 30 50 FIEA aggregator Cc1nc(C(F)(F)F)c(Cn2nc(C(C)(C)C)c(CCC#N)c2O)s1 184206215 UVLVBZCDCIBIDP-UHFFFAOYSA-N 372.416 4.174 30 50 FIEA CC(O)=Nc1ccc(N2C(=O)[C@H](C)N(C3CCC3)C2=O)c(C(F)(F)F)c1 328594715 ADQATTKLMRPKRR-VIFPVBQESA-N 369.343 4.023 30 50 FIEA CC1(C)OB(c2ccc(Nc3nc4ccccc4s3)cc2)OC1(C)C 169984026 ZPVDTNXPTWRHMB-UHFFFAOYSA-N 352.268 4.339 30 50 FIEA COc1ccc([C@H](C)NC(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 584892729 XMYJXTZICCTUPS-KRWDZBQOSA-N 363.461 4.023 30 50 FIEA O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 3124322 IYOXCGJQOBEJCW-UHFFFAOYSA-N 367.812 4.009 30 50 FIEA C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 5102941 YSMQNGAIXAVDOE-XNTDXEJSSA-N 372.427 4.242 30 50 FIEA COc1ccccc1N/C=C(/C(=O)c1cccs1)C(=O)C(F)(F)F 100862354 RLTSBAFLDPXVNW-KTKRTIGZSA-N 355.337 4.067 30 50 FIEA CC(C)(C)OC(=O)N(Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C 147107279 HWGOYVJTJXKGNB-UHFFFAOYSA-N 350.390 4.370 30 50 FIEA C[C@]1(O)CCCN(/C(O)=N/[C@H](Cc2ccccc2)c2ccccc2)CC1 329908410 LQLRAQPHZSCKNR-IRLDBZIGSA-N 352.478 4.121 30 50 FIEA N#Cc1ccc(Oc2ccc(NC(=O)c3ncoc3[C@@H]3CCCN3)cc2)cc1 2325866037 YWLHZJRHZIJLMI-SFHVURJKSA-N 374.400 4.015 30 50 FIEA C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 2479267 DWIPDAZMJJOBBY-UHFFFAOYSA-N 370.499 4.223 30 50 FIEA C=CCc1ccccc1OCc1nnc(NC(=O)C2CCCCC2)s1 2844985 JWFFYZQLGPVGRU-UHFFFAOYSA-N 357.479 4.364 30 50 FIEA C=CCc1ccc(OCCCCOc2ccc(C(=O)O)cc2)c(OC)c1 2994796 CLLBNUPLAROHBC-UHFFFAOYSA-N 356.418 4.360 30 50 FIEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 22339496 UOMMIYDQPWPBRB-NHCUHLMSSA-N 372.553 4.365 30 50 FIEA C=CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 91594272 LRBFSQDDOLCXQC-XZOQPEGZSA-N 362.517 4.348 30 50 FIEA C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1877928 MJQQWDGHIOIFSN-DJKKODMXSA-N 354.262 4.237 30 50 FIEA N#Cc1c(NC(=O)c2cc(-c3ccc(O)cc3)on2)sc2c1CCCC2 4880677 VOEPOFSHMPPYHO-UHFFFAOYSA-N 365.414 4.111 30 50 FIEA OC(=Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(N2CCCC2)nc1 328870506 PPYRUPBAVYXJAG-UHFFFAOYSA-N 365.433 4.360 30 50 FIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 245309660 FEAUWCGFLYHOEV-VABKMULXSA-N 363.457 4.085 30 50 FIEA CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)N2CCCC2)o1 227155808 VHMJHTYIGNEZPE-SFHVURJKSA-N 374.435 4.272 30 50 FIEA Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccccc1O 842153 OXFPWPJDXWPGEH-SRZZPIQSSA-N 361.426 4.021 30 50 FIEA CN1CCCC[C@@H]1CCn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 19147406 KCRJOEHJUMRHQN-OAQYLSRUSA-N 371.488 4.358 30 50 FIEA C=C(C)[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72481823 FWENTROLZFINEH-QFIPXVFZSA-N 365.429 4.335 30 50 FIEA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1C#N 170661192 XPARLMUMUMCCDC-ZDUSSCGKSA-N 373.378 4.452 30 50 FIEA Cc1nc(SCC(=O)Nc2ccccc2C#N)n(-c2ccccc2)c1C 9927058 KGNHBASRPPPEOP-UHFFFAOYSA-N 362.458 4.092 30 50 FIEA C=CCOc1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 43164418 AXUQLSJSDPQESN-GGAORHGYSA-N 354.538 4.480 30 50 FIEA O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 100698816 XCGTVQAGFOCWDQ-UHFFFAOYSA-N 371.174 4.268 30 50 FIEA C#CCCC1(CCC(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)N=N1 2325894858 TXQIKOLOSIEQQN-SFHVURJKSA-N 366.509 4.122 30 50 FIEA C#CCCC1(CCC(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)N=N1 2325894902 WVILNCIZKGVLHO-ICSRJNTNSA-N 366.509 4.026 30 50 FIEA O=C1C=C(c2cccs2)C[C@@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 1211387 VFZRDMUFNQTSBQ-SJCJKPOMSA-N 371.443 4.296 30 50 FIEA CCCOc1ccc(N/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2895290 BOFYANNTHKVWEQ-ZHACJKMWSA-N 371.433 4.310 30 50 FIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)n1 8743788 LINVUFLTQHGQJC-HXUWFJFHSA-N 370.408 4.173 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 3901618 BGSDYIABOHXRGX-HXUWFJFHSA-N 367.489 4.416 30 50 FIEA FC(F)(F)c1nnc(S)n1/N=C/c1ccc(-c2cccc(Cl)c2)o1 2808623 FOQYJELUGUSLJC-FBCYGCLPSA-N 372.759 4.381 30 50 FIEA N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 4728978 NIMNLLIEQSFNSB-VSKRKVRLSA-N 365.436 4.067 30 50 FIEA Oc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 239025325 BKKCNGXHXBGRNZ-UHFFFAOYSA-N 365.245 4.128 30 50 FIEA CCNc1ccc(C(=O)OCC)cc1N=C(O)CCCc1nccs1 328589776 AXPZMRLUMRKJHO-UHFFFAOYSA-N 361.467 4.363 30 50 FIEA Cc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc3ccccc23)S1 6302727 CWXCXXQRNTXINI-RXULLKCLSA-N 373.481 4.312 30 50 FIEA N#Cc1cccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 7051628 FPMCWSBIEPGTMX-UHFFFAOYSA-N 361.426 4.476 30 50 FIEA Cc1cc(N(C)/N=C/c2ccccc2Cl)nc(-c2ccccc2O)n1 4713188 XFLFGWDYZFDGAN-CIAFOILYSA-N 352.825 4.281 30 50 FIEA Cc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 31291823 UZDGLRYWBSKLQY-NCELDCMTSA-N 370.500 4.131 30 50 FIEA in-man C=CCc1ccccc1OCCOc1ccc(Br)cc1C=O 2874470 QAPIDXTWEGVLCB-UHFFFAOYSA-N 361.235 4.448 30 50 FIEA COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(C)=O 3904914 JFBBETBZJKIRAQ-JOCHJYFZSA-N 362.429 4.222 30 50 FIEA O=C(O)C[C@@H]1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O 4492375 SUNHNCOUVBVRPZ-XOMICKMZSA-N 373.478 4.066 30 50 FIEA O=C1C[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4986800 LVBPMQKJMOFEGK-GXTWGEPZSA-N 357.862 4.406 30 50 FIEA C=C(C)CN(CC)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 14981160 OEHXWZXHFPVHOX-UHFFFAOYSA-N 352.793 4.084 30 50 FIEA COc1ccc(OC)c(/C=C/C(=O)c2cc(Br)ccc2O)c1 48057030 SBTJOXYKBIYVJA-ZZXKWVIFSA-N 363.207 4.068 30 50 FIEA CCOC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 71769402 ZFKFZRFKOJXOTQ-PZJWPPBQSA-N 352.386 4.224 30 50 FIEA CCOC(=O)c1cc(C#N)c2nc3ccccc3n2c1-c1cccc(OC)c1 170624020 BBEHCBDYRKXJGL-UHFFFAOYSA-N 371.396 4.211 30 50 FIEA Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)cnn1Cc1ccccc1 194396823 GXHGTHYWXSJVKM-UHFFFAOYSA-N 374.444 4.151 30 50 FIEA C[C@H]1c2cc(F)cc(F)c2CCN1c1ccc(C(F)(F)F)c(C#N)n1 409721125 PUGXXQSRRFUTQG-VIFPVBQESA-N 353.294 4.374 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 4759916 GTKHYYJGYAEFIG-QGZVFWFLSA-N 359.853 4.117 30 50 FIEA N#Cc1ccccc1CN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 71479399 YJRUYVCQXDRIAZ-LJQANCHMSA-N 360.379 4.021 30 50 FIEA Oc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 244898898 ZDPJWIBGBJBAGI-UHFFFAOYSA-N 365.245 4.128 30 50 FIEA CN1CCN(C)C1=NC(c1ccccc1)(c1ccccc1)c1ccccc1 4131910 ZEHKTQPSCJCGNL-UHFFFAOYSA-N 355.485 4.212 30 50 FIEA C=CCn1c(CNc2ccccc2)nnc1SCC(=O)c1ccccc1 2742513 BQHHCYWTDNBDNX-UHFFFAOYSA-N 364.474 4.051 30 50 FIEA CC(=O)O[C@H]1C[C@H](C(C)=O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]12 71770967 KDOUWWCYIBIQAR-BZAAGZFKSA-N 372.505 4.265 30 50 FIEA Cc1ncoc1/C(O)=N/CC1(c2ccc(Br)s2)CCC1 329313561 QCDHFYMMHHQXIZ-UHFFFAOYSA-N 355.257 4.234 30 50 FIEA N#Cc1c(NC(=O)C(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 4593611 TUKBTCFRHBLZSM-UHFFFAOYSA-N 356.291 4.178 30 50 FIEA N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1 2325702011 OLMCLKLKKBREEI-KRWDZBQOSA-N 362.820 4.225 30 50 FIEA C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1OC 2700933 SEAWLBUCZHCPCH-COOUDCDJSA-N 363.504 4.260 30 50 FIEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3cccc4ccccc34)NC2=O)c1 4813748 HEZZDYQMGZYVNA-BTVXTAIASA-N 373.481 4.312 30 50 FIEA CO/N=C/[C@@H](C)C(=O)c1ccc2c(Br)c(OC)ccc2c1 5211609 KDKDJOQADHYJDM-SVXRXWARSA-N 350.212 4.062 30 50 FIEA N#CC1(c2ccccc2)CCN(Cc2cnc3ccc(Cl)cn23)CC1 20405909 KURKINSTOZOKSD-UHFFFAOYSA-N 350.853 4.045 30 50 FIEA C=CCC1(CC=C)CCCCN1C(=O)c1ccc(OC)c(OC)c1OC 55327848 WWGTXUSCXGSEKK-UHFFFAOYSA-N 359.466 4.230 30 50 FIEA COCc1nc(C/N=C(/O)N2CCCC3(CC3)C2)c(-c2ccccc2)s1 328621330 XLOJUJSTRHPUBC-UHFFFAOYSA-N 371.506 4.247 30 50 FIEA C#CCCC1(CCNC(=O)c2cccc3sc(C(F)(F)F)nc23)N=N1 2325891495 KQUWEYHYZLVFSZ-UHFFFAOYSA-N 366.368 4.011 30 50 FIEA C=CCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 2895529 RITJVQFTTYCONC-UHFFFAOYSA-N 370.788 4.221 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1 4943565 RUKKCABQXSLGIR-UHFFFAOYSA-N 359.838 4.280 30 50 FIEA Sc1nnc(-c2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 6062607 TUMVEKIFKXALBN-KEBDBYFISA-N 353.838 4.251 30 50 FIEA CC/C(=N\NC(=S)NC1CCCCC1)c1ccc(Br)s1 17076554 WBCTUKBPYFQOKD-GZTJUZNOSA-N 374.373 4.422 30 50 FIEA C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/Cc1ccccc1 101186783 PKIDGBADGQIIOJ-FMQUCBEESA-N 351.431 4.412 30 50 FIEA CC(C)[C@](C#N)(CCCNC[C@H]1COc2ccccc2O1)c1ccccc1 5498399 ZTBZVVBXACPXRI-NZQKXSOJSA-N 364.489 4.314 30 50 FIEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(Cl)c1 5660658 MIORRUMWCMHKKA-UHFFFAOYSA-N 367.861 4.180 30 50 FIEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1ccc(CSc2ncccn2)o1 209838549 VMWUTZONQRIBKD-GJZGRUSLSA-N 355.463 4.097 30 50 FIEA CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257356665 JOIVCMKYTDBOIY-QKZWPURJSA-N 356.506 4.491 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(OC)c1 170615324 KMGWWEBCUHEZAE-PKOBYXMFSA-N 356.443 4.076 30 50 FIEA Cc1[nH]c2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 4152245 HOZYKZHMNIAUFZ-LSHDLFTRSA-N 362.458 4.009 30 50 FIEA COc1ccc(/C=C\C(=O)C[C@](O)(c2ccccc2)C(F)(F)F)cc1 4997301 MOJZHZLCHIGRNF-VOCYLRNQSA-N 350.336 4.118 30 50 FIEA O=C1CCCC2=C1[C@H](c1ccccc1)N=C(Nc1nc3ccccc3s1)N2 5905747 CWFGBBULVRSUQG-IBGZPJMESA-N 374.469 4.416 30 50 FIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)c1 5932602 RTVMTPHUACPNLF-DJKKODMXSA-N 362.817 4.291 30 50 FIEA CN(C)C1=C(Nc2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2C1=O 4819865 JMUHNNFELKKTHI-UHFFFAOYSA-N 361.228 4.258 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 2190454 KHABYOCUEVTHBL-LJQANCHMSA-N 357.450 4.145 30 50 FIEA Cc1cc(F)cc([C@@]2(F)CCN(c3c(C#N)cnc4cnccc34)C2)c1 2325777023 ZKUJCIUFDQXTFG-HXUWFJFHSA-N 350.372 4.024 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])o1 1304905 FAGDDYKDMJWQIE-GOSISDBHSA-N 353.378 4.410 30 50 FIEA C=CCN1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccc(C)n2)C1 65462772 WHYQEJXFQYLXTD-LJQANCHMSA-N 358.489 4.428 30 50 FIEA Cc1noc([C@H]2CCN([C@@H](C)C(O)=Nc3ccc(Cl)c(Cl)c3)C2)n1 329022088 IGBXQWJBNZXFPN-ONGXEEELSA-N 369.252 4.151 30 50 FIEA Cc1nnc(-c2cccc(NC3CCC(C#N)(c4ccncc4)CC3)c2)n1C 1875304496 MBIKGLGIOJZVJG-UHFFFAOYSA-N 372.476 4.002 30 50 FIEA CC[C@@H](C)N(CC#Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O 55061223 DPOSONREJBDFPL-QGZVFWFLSA-N 362.448 4.319 30 50 FIEA C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1 286485244 JLRRNWXAWMYBLJ-CYBMUJFWSA-N 373.453 4.073 30 50 FIEA Cc1cc2sc(N=C(O)N3CCCC[C@@H]3c3cc[nH]n3)nc2cc1F 329244391 PUJHBDARCPXHAZ-CQSZACIVSA-N 359.430 4.240 30 50 FIEA CCOc1ccc(C(=O)/C=C/C(=O)Nc2ccc(Br)cc2)cc1 2534644 FJSBCUAMAKWQSK-VAWYXSNFSA-N 374.234 4.225 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccsc1 2526852 XVYHFTUSYDJUNR-QFBILLFUSA-N 356.443 4.076 30 50 FIEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1ccco1 17027572 XPCMPMJIYXGPQP-YEJXKQKISA-N 350.418 4.443 30 50 FIEA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1[C@@H](C)C1CC1 329407017 AZHIINMIFWAHCT-NBHGPNQESA-N 362.477 4.075 30 50 FIEA N#CC1(c2ccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)cc2)CCCC1 534633524 JPLDXMNOEHMOCL-OAQYLSRUSA-N 360.457 4.208 30 50 FIEA COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccco2)c1 4184802 YORQMNILJHRWHH-VQHVLOKHSA-N 354.383 4.465 30 50 FIEA COc1ccccc1N1CCN(/N=C(\C)c2ccc3ccccc3c2)CC1 4567515 CNCNIJXKWMJJLW-HKOYGPOVSA-N 359.473 4.395 30 50 FIEA CCN(CC)c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 18177175 FFSZRVIRTAZRBG-XQNSMLJCSA-N 362.477 4.081 30 50 FIEA C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(Oc2ccccc2)c(F)c1 222114933 IVPROGYEWRUKTD-SSDVNMTOSA-N 372.787 4.191 30 50 FIEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2ccccc2O)cc1 239235811 WTRXHZVUNGAFEX-UHFFFAOYSA-N 352.463 4.119 30 50 FIEA N#Cc1ccc(Cl)c(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c1 156084677 VOZQBSWYYDNVBQ-UHFFFAOYSA-N 357.200 4.303 30 50 FIEA N#Cc1c(Nc2ccccc2F)sc(C(=O)c2ccc(F)cc2)c1N 4652846 ACKGIWVKEYFHGP-UHFFFAOYSA-N 355.369 4.455 30 50 FIEA C=CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc2c(c1)OCO2 4094893 KVBDZFJFAJJYFK-CSKARUKUSA-N 364.426 4.397 30 50 FIEA O=C(c1ccccc1)c1cc[n+](CC(=O)c2ccc(Cl)cc2Cl)cc1 5899746 OXWCRIZRWJMYGV-UHFFFAOYSA-N 371.243 4.395 30 50 FIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 19638508 ORNMNLFIPDEZDH-LJQANCHMSA-N 369.461 4.006 30 50 FIEA C=CCSC1=N/C(=C\c2ccc(N(CC)CC)cc2OC)C(=O)S1 3001307 AUDSBKIUNFQNDH-PTNGSMBKSA-N 362.520 4.431 30 50 FIEA Cc1ccc(-c2nnc(S)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 244724708 MZDHJNQUBNRBSS-UHFFFAOYSA-N 362.380 4.443 30 50 FIEA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]21 244763926 OYAYDMDBQZWWHI-UAOJZALGSA-N 358.397 4.052 30 50 FIEA CCN1C(=O)/C(=C\C(=O)c2cccs2)c2cc(Br)ccc21 2850628 OWHUNOHTISIBKW-XFXZXTDPSA-N 362.248 4.143 30 50 FIEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 22339501 UOMMIYDQPWPBRB-LEWJYISDSA-N 372.553 4.365 30 50 FIEA C=CCOc1cccc(CN(CC)C(=O)c2c(C)[nH]c3c2C(=O)CCC3)c1 55053443 DAZVFXODAYTZAG-UHFFFAOYSA-N 366.461 4.069 30 50 FIEA CCOC(=O)C[C@H]1CC[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 526056069 OBGPNILEIKATBX-QAQDUYKDSA-N 372.314 4.213 30 50 FIEA N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(F)cc2)c1N 803989 TWBXPXSVVHUWOW-UHFFFAOYSA-N 355.369 4.455 30 50 FIEA CN(CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 55496508 SFZKDHRWZHYASG-UHFFFAOYSA-N 353.465 4.428 30 50 FIEA N#Cc1ccc(N2CCCc3occc3C2)nc1N1CCCc2occc2C1 329349968 WQJPSHUPRQGQML-UHFFFAOYSA-N 374.444 4.045 30 50 FIEA CC(C)[C@@](C#N)(CCCNC[C@@H]1COc2ccccc2O1)c1ccccc1 5498443 ZTBZVVBXACPXRI-OFNKIYASSA-N 364.489 4.314 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccs1 957030 GSKSNTOEPDNGER-UHFFFAOYSA-N 371.487 4.176 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(C)c2)C2=C(CCCC2=O)N1 1213210 NUCGAMACQVGLDV-OAQYLSRUSA-N 365.473 4.449 30 50 FIEA CC1(C)C[C@@H](Nc2c(C#N)cnc3c(Br)cccc23)CCO1 408422630 JITUDIUDULSLOK-LBPRGKRZSA-N 360.255 4.238 30 50 FIEA C[C@@H]1Cc2cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc2O1 1477139616 MENOGNCGKQFZGT-CDHQVMDDSA-N 361.445 4.314 30 50 FIEA COC(=O)c1ccc(Oc2ccc(-c3csc(C)n3)cc2F)c(C#N)n1 1875317251 SQXVJDLVQYZYGL-UHFFFAOYSA-N 369.377 4.103 30 50 FIEA Cn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1Cl 1150845 FEFIUJFMLVDIBA-UHFFFAOYSA-N 354.866 4.223 30 50 FIEA C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1cccnc1 4748599 NWPRLTNIXGAWLS-HZHRSRAPSA-N 352.401 4.047 30 50 FIEA CC(C)(C)OC(=O)N1CCCC(=CB2OC(C)(C)C(C)(C)O2)CCC1 1857784491 FBTHWPBLNMUVNN-UHFFFAOYSA-N 351.296 4.355 30 50 FIEA CC(C)C1=CC(=NS(=O)(=O)c2ccc(Cl)cc2)C=C(C(C)C)C1=O 2878957 YOKMETAMQQHPRC-UHFFFAOYSA-N 365.882 4.217 30 50 FIEA COc1ccc(/C=C/C(=O)c2cnn(C)c2)cc1COc1ccc(F)cc1 6925509 VIKSIAGWQYXUOZ-YCRREMRBSA-N 366.392 4.043 30 50 FIEA Cc1nc([C@H](C)N(C)C(=O)CC2=C(c3ccccc3)CCC2=O)c(C)s1 1506407020 SZOFUESAIXQPDG-ZDUSSCGKSA-N 368.502 4.486 30 50 FIEA CN(C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1F 238901115 LAPSQFBVJHRYHZ-SFHVURJKSA-N 368.387 4.206 30 50 FIEA C/N=C(\SC)N(CC/C(=N\O)c1ccccc1)c1ccc(OC)cc1 96027852 MFTSZDVQISRSSI-UCUGKLSDSA-N 357.479 4.119 30 50 FIEA C[C@@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 1857790630 METQSPRSQINEEU-ARQHVNGUSA-N 366.501 4.306 30 50 FIEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccccc2C#N)CC1 2325806926 OJJWIVWPCXGFMB-VGSWGCGISA-N 354.494 4.008 30 50 FIEA Cc1c(C(=O)/C=C/c2ccc(COc3ccc4c(c3)CCC4)o2)cnn1C 6527529 XFPCYUWVTNCZFV-ZHACJKMWSA-N 362.429 4.285 30 50 FIEA O=C1C[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819790 DBWRHXJXPLJKCI-DOMZBBRYSA-N 369.823 4.483 30 50 FIEA N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F 2766687 BPPKYAWKHFCYBX-RYUDHWBXSA-N 371.160 4.178 30 50 FIEA O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 5899749 AEJWFDDMKNAHBD-UHFFFAOYSA-N 352.413 4.241 30 50 FIEA O=C1C=C(c2cccs2)C[C@@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 1211392 VFZRDMUFNQTSBQ-YVEFUNNKSA-N 371.443 4.296 30 50 FIEA CCc1ccc(S(=O)(=O)/N=C(/Nc2ccccc2)c2ccccc2)cc1 5327933 HTXAWKWRONRNDU-UHFFFAOYSA-N 364.470 4.497 30 50 FIEA OC(=Nc1nc2ccc(Cl)cc2s1)c1coc(C2CCOCC2)n1 329958749 MSVPOEIWJOOLQD-UHFFFAOYSA-N 363.826 4.468 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1C#N 994519 UUVBPUBIBLYNNT-LSDHHAIUSA-N 368.458 4.236 30 50 FIEA C[C@H](c1cccc(O)c1)N(C)/C(O)=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2 329713172 REFVLFZVTDKGGH-XPGWFJOJSA-N 364.489 4.493 30 50 FIEA OC(=Nc1ccc2c(c1)OCCO2)N1CCCC[C@@H]1Cc1ccccc1 328749129 QSESUKBODHHJGA-GOSISDBHSA-N 352.434 4.101 30 50 FIEA Cc1ccc([C@@H]2C[C@@H](C)N(C(O)=Nc3c[nH]nc3-c3nccs3)C2)cc1 330190748 MPPAPXBAMHJVQA-UKRRQHHQSA-N 367.478 4.265 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccccc2NC(=O)c2ccccc2)N=N1 2325894663 GVXJINNKYVWNTL-UHFFFAOYSA-N 360.417 4.233 30 50 FIEA Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1ccccc1 12468260 MDHHYZPBUVPWEB-SFHVURJKSA-N 373.500 4.154 30 50 FIEA CC(C)C#CC(=O)N1Cc2cnn(-c3ccccc3Cl)c2CC(C)(C)C1 952891962 DGHQBLDQGPOLDE-UHFFFAOYSA-N 369.896 4.096 30 50 FIEA CCn1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 2781882 ZIQNJLSYQUZWMZ-CYBMUJFWSA-N 356.495 4.239 30 50 FIEA C=C1C[C@@H](O)[C@H](/C=C/[C@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)O 27640071 VKEJXDXJUFQESA-MWFFEYCDSA-N 350.499 4.238 30 50 FIEA in-vitro C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl 3004174 RUGMQYXVZMHNLC-WQLSENKSSA-N 372.298 4.227 30 50 FIEA N#CC1(c2ccc(-c3ccc(C(=O)N[C@H]4CCOC4)cc3)cc2)CCCC1 534633523 JPLDXMNOEHMOCL-NRFANRHFSA-N 360.457 4.208 30 50 FIEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccccc2C#N)CC1 2325806924 OJJWIVWPCXGFMB-JTSKRJEESA-N 354.494 4.008 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1 3883272 AEZUZXYVWGQRLK-CTNGQTDRSA-N 350.414 4.015 30 50 FIEA O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1O 5016501 VNWZUWZGTYYILC-CIAFOILYSA-N 358.357 4.390 30 50 FIEA CC(C)[C@H]1CC[C@@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 245325133 CNUAJBSOIJZAHJ-HGHGUNKESA-N 369.472 4.354 30 50 FIEA Cc1cc(C)c(C(=O)/C(=C/c2ccc3c(c2)OCO3)c2ccccc2)c(=O)[nH]1 4010020 RRFWNLBIAHDZKI-WOJGMQOQSA-N 373.408 4.144 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2F)C[C@H]1c1cccc(F)c1 252505100 VOKGLIQXLMCDQT-PXNSSMCTSA-N 356.368 4.284 30 50 FIEA C=CCN1C[C@H]2CN(C(=O)c3ccc(C)cc3)C[C@]2(CCc2ccccc2)C1 1772708086 ARLNTPCGTHFYOA-ZCYQVOJMSA-N 374.528 4.188 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1 3883270 AEZUZXYVWGQRLK-FPOVZHCZSA-N 350.414 4.015 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(O)c1 18155937 UMBVIOYTAPHVDS-LJQANCHMSA-N 371.436 4.330 30 50 FIEA O=C(O)C[C@H]1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O 4492377 SUNHNCOUVBVRPZ-BSBNDGSWSA-N 373.478 4.066 30 50 FIEA C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(Br)cc1 671722 PCJZTQCIJITTIV-XDHOZWIPSA-N 362.296 4.468 30 50 FIEA Cc1cc(C)cc(NC(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)c1 2532609 RSJUEUZTZFLCED-UHFFFAOYSA-O 370.476 4.233 30 50 FIEA Cc1nn(C)c(C)c1N=C(O)[C@@H](C)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 328639321 BYLYHNFVDBONKJ-NSISKUIASA-N 364.493 4.334 30 50 FIEA Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3ccccc3C(=O)N2O)o1 651709 RGOSQAVXTWDXKA-GOSISDBHSA-N 365.345 4.119 30 50 FIEA C=C(C)CN(CC)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 15076815 WFJYOFBDOSKZDM-UHFFFAOYSA-N 368.355 4.311 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@@H](CC)c2ccnn2C)cc1OCC 63847293 RTZJJCPYOUMAEP-INIZCTEOSA-N 363.889 4.278 30 50 FIEA C=CCc1ccc(OCCCOc2ccc(C(=O)OC)cc2)c(OC)c1 2994693 FZWBUAPMAZHHTM-UHFFFAOYSA-N 356.418 4.058 30 50 FIEA C=CCn1c(CN(C)Cc2ccco2)nnc1SCc1cccc(F)c1 12282157 QWRIFJBPSGSUBL-UHFFFAOYSA-N 372.469 4.121 30 50 FIEA CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1 19923529 ONBOMEZRDSAXBT-HNAYVOBHSA-N 359.466 4.196 30 50 FIEA Cc1ccc2c(c1)CC[C@H](C(O)=Nc1ccc3nnc(C(C)C)n3c1)O2 330096693 XVSVPOFQCQLJIN-QGZVFWFLSA-N 350.422 4.143 30 50 FIEA COc1nc2ccccc2cc1-c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 534591684 UDRJMEOWPUFOBV-INIZCTEOSA-N 371.440 4.286 30 50 FIEA COc1ccc(-c2nnc3c(Cl)c(Cl)c(C#N)c(Cl)n23)cc1 1228963 URCXFRNARNDICQ-UHFFFAOYSA-N 353.596 4.237 30 50 FIEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 2468957 YONPZOTXVLIQRE-SFTDATJTSA-N 360.457 4.236 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 19418916 MICSRMBZPCOSOE-UHFFFAOYSA-N 350.462 4.055 30 50 FIEA N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1ccccc1)N1CCCCC1 28251175 CSQRBGSSJGOOAW-SFHVURJKSA-N 362.433 4.445 30 50 FIEA C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 12343875 CQHCEOKJXQQQQG-AQTBWJFISA-N 351.427 4.488 30 50 FIEA C=CCc1ccccc1OCCCN1CCN(Cc2ccccc2)CC1 20482287 QAFYKDLFGHLJCW-UHFFFAOYSA-N 350.506 4.002 30 50 FIEA N#CCOc1cccc(CC(=O)NCc2ccccc2Oc2ccccc2)c1 119987531 AFLVAFNUPRRUFD-UHFFFAOYSA-N 372.424 4.240 30 50 FIEA O/C(=N/C1CC1)[C@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccccc1 328628192 NMOGMKYXEIORQE-HMXCVIKNSA-N 350.462 4.214 30 50 FIEA O=C1/C(=C\c2cccc(-c3cccnc3)c2)COc2cc3c(cc21)OCO3 768489319 ABQAYOILOYFAAL-IUXPMGMMSA-N 357.365 4.136 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccs1 225508733 WQPGCGXUGIAVMW-BEFAXECRSA-N 356.443 4.076 30 50 FIEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 281848369 RSRAMXFYNXZJGH-XHSDSOJGSA-N 365.543 4.259 30 50 FIEA C[C@@H](/N=C(/O)[C@@H]1C[C@]12CCOc1ccccc12)c1nc(C2CCCC2)no1 328602761 CVLJVEGGJQIVAY-QTPGKHNVSA-N 367.449 4.485 30 50 FIEA CCc1nc([C@@H](C)/N=C(/O)c2nc(C)sc2Br)cs1 330653378 JKMMFWSZSZRAJX-ZCFIWIBFSA-N 360.302 4.299 30 50 FIEA CO[C@](F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100008352 QKAGYSDHEJITFV-BYPYZUCNSA-N 350.074 4.329 30 50 FIEA C[C@@H]1/C(=C/c2cnc(-c3ncccn3)s2)C(=O)c2c(O)ccc(Cl)c21 170657527 QWDFAFYZXPPYQS-MDXIRLPMSA-N 369.833 4.343 30 50 FIEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 752958 VGAOUUDRPGBIPF-UHFFFAOYSA-N 369.490 4.040 30 50 FIEA Fc1cccc(Cl)c1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 13687543 GVNUBKCHTNUBND-WSDLNYQXSA-N 366.267 4.284 30 50 FIEA C=C(C)COc1ccc(NC(=O)N(Cc2nnc(CC)o2)C(C)C)cc1 96149334 GILBMNXXKXPDCZ-UHFFFAOYSA-N 358.442 4.029 30 50 FIEA Cc1cccc(C/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328611086 KHHXOURUZJRKEL-GOSISDBHSA-N 357.454 4.168 30 50 FIEA CCOC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2 1229592 YWKLTNVPPNEQGH-UHFFFAOYSA-N 356.447 4.056 30 50 FIEA CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccco2)C(=O)C1 100288120 BNCSYKIUCWOUQF-IBGZPJMESA-N 358.434 4.139 30 50 FIEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 254835679 NHUDOBXYMZWEFY-SWMFTOKCSA-N 372.505 4.265 30 50 FIEA CCOc1ccc(C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 16675528 COKJUVAWPPQMNC-INIZCTEOSA-N 360.866 4.201 30 50 FIEA C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1476401706 PBZIKGPNUOILNV-LSDHHAIUSA-N 369.444 4.221 30 50 FIEA O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 1211390 VFZRDMUFNQTSBQ-SJKOYZFVSA-N 371.443 4.296 30 50 FIEA COc1cc(C#N)cc(Br)c1OC(=O)c1ccccc1Cl 4828788 AYSGQNMUAUZGHH-UHFFFAOYSA-N 366.598 4.202 30 50 FIEA Cc1ccc([C@H](C)/C=N/NS(=O)(=O)c2ccc(CC(C)C)cc2)s1 6846724 GNELODBHBSPHNO-ONDHQXCVSA-N 364.536 4.323 30 50 FIEA Cc1sc(NC(=O)CSc2ncccc2C#N)nc1-c1ccccc1 9295595 VAMZYHYWGODTCG-UHFFFAOYSA-N 366.471 4.116 30 50 FIEA CC(C)n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H]1C[C@@H]1c1ccccc1F 328606141 QNTCWUJUSWRYNK-MGTHKWJCSA-N 357.429 4.193 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 4728209 KARFZLBAWUDXJD-KRWDZBQOSA-N 359.853 4.117 30 50 FIEA C=CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12023635 NUQSWDYGXYASSC-GOSISDBHSA-N 366.436 4.246 30 50 FIEA O=C1CCCC2=C1[C@H](c1ccc(O)c(O)c1)Nc1ccc3ncccc3c12 870011 LYTYFIQJQSOBMZ-QFIPXVFZSA-N 358.397 4.319 30 50 FIEA CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 5101061 KIZGFJLEGQQBJQ-QFIPXVFZSA-N 361.445 4.389 30 50 FIEA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(F)cc1 15016612 NNKAOWBTLUAWSX-ZMSCOZPXSA-N 360.410 4.200 30 50 FIEA CC(C)c1nc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cs1 888101976 UPBKWLYHWMMXCK-UHFFFAOYSA-N 365.340 4.269 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccs1 957033 BBPSJWADADAISZ-UHFFFAOYSA-N 359.451 4.307 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1cccs1 1118046 YCJVXBXUNFUQPF-KRWDZBQOSA-N 365.410 4.120 30 50 FIEA Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1ccco1 4870165 RGMIQVNDCOMEJW-UHFFFAOYSA-N 363.348 4.103 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 7720094 MNYDYKCBXDTPBO-UHFFFAOYSA-N 353.809 4.218 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(OC)c1 170615342 IJGOEWYYVDPYCC-IFMALSPDSA-N 364.441 4.323 30 50 FIEA COC(C)(C)CCC[C@](C)(O)C#C[C@@H](C)N1CCCC[C@H]1c1cccnc1 248273428 RBNPONNUFQLAEM-NWSQWKLXSA-N 372.553 4.347 30 50 FIEA biogenic,in-vitro C[C@H](/N=C(/O)[C@H]1CCN(C)[C@@H](C)C1)[C@H](c1ccccc1Cl)n1cccn1 328591633 BZVVFSYUOQBDRE-IUVQAAGXSA-N 374.916 4.201 30 50 FIEA O=C1C[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819525 XXPJQOJDEVEDEU-HOCLYGCPSA-N 351.833 4.344 30 50 FIEA N#CC1(c2ccc(CN3CCC(Cc4ccccc4CO)CC3)cc2)CC1 2325757118 QVUDUALDJHMZEA-UHFFFAOYSA-N 360.501 4.189 30 50 FIEA Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(CC#N)cc1 20616465 LFZXJXCGVPMRMF-UHFFFAOYSA-N 361.401 4.189 30 50 FIEA O/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCc2c(Cl)cccc2C1 55253931 SYTHTAGXXIJJTH-UHFFFAOYSA-N 359.861 4.110 30 50 FIEA CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCCCCC1 170623537 OBHRPLSCBHBCTQ-KRWDZBQOSA-N 372.488 4.030 30 50 FIEA Cc1c(NC(=O)C2CCCC2)ccc2c1NC(=O)C[C@H]2c1ccccc1C#N 65455382 NFZIWDKSBZAZJD-IBGZPJMESA-N 373.456 4.470 30 50 FIEA C[C@@H](/N=C(/O)Cc1csc2nccn12)c1nc(C2CCCCC2)no1 330161087 SQHNHHSYKDRCQA-LLVKDONJSA-N 359.455 4.087 30 50 FIEA OC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 6827703 WRLLBTKDSCJOBL-UHFFFAOYSA-N 364.138 4.159 30 50 FIEA biogenic,in-vitro CCCCCCCCNC(=N)NC(=N)NCc1ccc(Cl)c(Cl)c1 14300255 ZZQMUJGZCZTLQD-UHFFFAOYSA-N 372.344 4.492 30 50 FIEA in-man CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1 1054377 DEZBTIWWXQKRMN-GFCCVEGCSA-N 354.479 4.203 30 50 FIEA C[C@H]1C(=O)ON(c2cccc(Cl)c2)C(=O)N1c1ccccc1Cl 825584115 MQUTUPSFCRJMEZ-JTQLQIEISA-N 351.189 4.287 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)N=N1 2325894643 FIWQCRKIZGPLPJ-SFHVURJKSA-N 361.449 4.103 30 50 FIEA COc1ccc(-c2cs/c(=N/N=C/c3ccc(Cl)cc3)[nH]2)cc1OC 5670979 ZAIWUNYRSRGFKW-KEBDBYFISA-N 373.865 4.349 30 50 FIEA CCCOc1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)cc1 5892789 FYJGIMIIENRKDL-DEDYPNTBSA-N 368.462 4.287 30 50 FIEA COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(OC)c(OC)c3)C2)cc1 7275833 MXGZWLMJXSOVAE-OAHLLOKOSA-N 353.418 4.155 30 50 FIEA OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95719233 GRJRKPMIRMSBNK-UHFFFAOYSA-N 364.101 4.108 30 50 FIEA in-vitro CC(C)c1ccc2c(c1)CCCN2C(O)=Nc1ccc2c(c1)C(=O)N=C2O 328595920 KIUOQPFRSGPEBN-UHFFFAOYSA-N 363.417 4.267 30 50 FIEA C#CCCC1(CCC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)N=N1 952881479 OLWBXXYDEBZXGO-UHFFFAOYSA-N 372.900 4.043 30 50 FIEA C=CCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC 2938964 KDUOQKLZUVILRQ-UHFFFAOYSA-N 364.397 4.130 30 50 FIEA COc1ccc([C@H]2CC(=O)c3cc(C#N)c4nc5ccccc5n4c3C2)cc1 170624019 VUFJTBMOVOTJQD-OAHLLOKOSA-N 367.408 4.280 30 50 FIEA COc1nccc(NCc2cccnc2Oc2ccc(F)cc2F)c1C#N 67757720 GGMSKQCETJKXNG-UHFFFAOYSA-N 368.343 4.039 30 50 FIEA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(O)=Nc1cccc([N+](=O)[O-])c1 328596702 QNOGLBVBKYQIQD-UHFFFAOYSA-N 350.718 4.122 30 50 FIEA CCN(CC)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 240825152 QNKQUFCBTREIGL-UHFFFAOYSA-N 357.527 4.343 30 50 FIEA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C#Cc2ccccc2)c1 11662280 WSRPRIQXRKWDGL-JOCHJYFZSA-N 369.468 4.034 30 50 FIEA O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1ccc2c(c1)OCO2 2532679 QMLMHWBUSCOISX-CNHKJKLMSA-N 353.161 4.305 30 50 FIEA Cc1cc(C)cc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)c1 2763573 STGNMQXRYHYAOC-UHFFFAOYSA-N 356.447 4.363 30 50 FIEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(SC)cc2)c1 6007349 MMNMISLEBXDVML-WOJGMQOQSA-N 356.476 4.220 30 50 FIEA C=CCN1C(=O)/C(=C\c2c[nH]nc2-c2ccc(CC)cc2)SC1=S 6606237 DJIBTECHDHVPMU-XNTDXEJSSA-N 355.488 4.026 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(F)c1 170618304 XRAWKYVGSWGGLT-GHTZIAJQSA-N 368.404 4.154 30 50 FIEA C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(CC#N)c1ccccc1 170656017 XLPSAGDQYACNOQ-AWEZNQCLSA-N 361.367 4.376 30 50 FIEA COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 2843387 LWSLAIKOASSAJY-UHFFFAOYSA-N 374.352 4.193 30 50 FIEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 4755978 GCQGLTNAJOCVRX-PTNGSMBKSA-N 371.845 4.494 30 50 FIEA C=CCSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 5065496 PXKFTWFDFUVUAX-UHFFFAOYSA-N 363.240 4.022 30 50 FIEA C[C@@H]1CC/C(=C/NCCCCCCN/C=C2/CC[C@@H](C)CC2=O)C(=O)C1 22588756 JVPZUSSZOFCTNT-YWCOZBPASA-N 360.542 4.272 30 50 FIEA C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc(Cc3ccccc3F)n2)C1 170630439 MMPBLXIKMXOCMF-BFUOFWGJSA-N 357.454 4.075 30 50 FIEA N#C[C@H]1CCCN(Cc2cccc(OCCCCN3CCCCC3)c2)C1 215658821 MZKRJVJOWWYEEI-OAQYLSRUSA-N 355.526 4.067 30 50 FIEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3Cc4ccccc4C3)o2)cc1 1857798714 ASUCREBXFNCBCE-MOPGFXCFSA-N 357.413 4.346 30 50 FIEA N#C[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)N1Cc1ccccc1 2841393 MOWCTZRQNKKJKN-DEOSSOPVSA-N 368.436 4.417 30 50 FIEA COc1cc(/C=N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC(C)=O 253416172 LHDZFRWAKZTUTK-QKAFBRMYSA-N 372.465 4.250 30 50 FIEA COc1ccc(C(=O)C=CNc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 2049272070 CICDFLWJXQNRLD-UHFFFAOYSA-N 362.769 4.074 30 50 FIEA N#Cc1c(SCc2cccnc2)nsc1SCc1cccnc1 4623975 RWONCNNRPRKKKM-UHFFFAOYSA-N 356.501 4.389 30 50 FIEA COc1ccccc1/C=N/Nc1nc(-c2cccnc2)nc2ccccc12 5008565 LZVAIUFOEYYUGD-OEAKJJBVSA-N 355.401 4.146 30 50 FIEA COc1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 2597750 ZWRBCWLLLNHLSS-GIJQJNRQSA-N 354.262 4.323 30 50 FIEA C=C(C)Cn1ccc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1 19850191 OQLBCMAYDWRQDI-UHFFFAOYSA-N 352.459 4.197 30 50 FIEA Cc1c(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3)o2)cnn1C 30852004 DVZNJCHDKROKNM-HJWRWDBZSA-N 356.809 4.450 30 50 FIEA Cc1ccc2c(c1)nc(C/N=C(/O)N1CC3(CCC3)c3ccccc31)n2C 328710204 QYRODGFXASSVRD-UHFFFAOYSA-N 360.461 4.238 30 50 FIEA C=CCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(O)=NC1=S 15837290 ODOAUFMPPOQTKB-SFQUDFHCSA-N 371.506 4.263 30 50 FIEA C=C(C)COc1ccccc1C(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 55153950 CZBYHRFAZQIPDQ-MRXNPFEDSA-N 369.465 4.168 30 50 FIEA COc1ccccc1/C=C/C=NN1CCN(Cc2ccccc2Cl)CC1 245231342 BTWGXXKULYPJSW-DPHBVSPUSA-N 369.896 4.165 30 50 FIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253527776 AIBWHDYZKNWYQQ-PQBVEICXSA-N 354.490 4.453 30 50 FIEA Cc1ccc2c(c1)CC[C@@H](C(O)=Nc1ccc3nnc(C(C)C)n3c1)O2 330096692 XVSVPOFQCQLJIN-KRWDZBQOSA-N 350.422 4.143 30 50 FIEA CC(C)(O)CCc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1 72409587 XVDNBENYJOOVDO-UHFFFAOYSA-N 362.517 4.447 30 50 FIEA O=C1CC(c2ccccc2Cl)CC(=O)C1=CNc1ccc([N+](=O)[O-])cc1 100680965 FTJYYLKPGDMFEN-UHFFFAOYSA-N 370.792 4.260 30 50 FIEA C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(F)cc1 4346160 POKZDHSZLZHFPC-UHFFFAOYSA-N 350.422 4.434 30 50 FIEA CN(C)[C@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccc(F)cc1 334162279 LRFIIAUFLHYUSI-GOSISDBHSA-N 368.387 4.206 30 50 FIEA Cc1c(C(=O)[C@H](C#N)C(=O)c2cc3c(s2)CCCC3)noc1C1CC1 1875299750 UUCCDDAWRHLLQZ-CYBMUJFWSA-N 354.431 4.006 30 50 FIEA Cc1cc(CNCC2CCN(c3ccccc3C#N)CC2)cc2cccnc12 2325732844 OTBCCXJNVKKPDI-UHFFFAOYSA-N 370.500 4.421 30 50 FIEA N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCN1CCCCC1 804089 MCEAUPBBZHUKDO-UHFFFAOYSA-N 355.429 4.427 30 50 FIEA Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccc(N(C)C)cc3)N=C2O)c1 9089943 CTYMNRVYFXAORD-KOMLCTQHSA-N 366.490 4.066 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)c(Cl)c2)cc1 1234459 XYVLGEPGWBGRGS-UHFFFAOYSA-N 359.234 4.017 30 50 FIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1cc(=O)n2cc(C)sc2n1 1704311720 ADTYWIUYGGTXRA-ROUUACIJSA-N 355.507 4.106 30 50 FIEA Cc1oc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 943163 DHGMKADNIQOASJ-LSHDLFTRSA-N 363.442 4.274 30 50 FIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1ccc(C)cc1 7759440 PFDUBYJRHRQLDW-UHFFFAOYSA-N 361.445 4.111 30 50 FIEA Cc1ccc(C(=O)O/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 12954476 PHEIYWQHQKDHRK-STZFKDTASA-N 367.405 4.084 30 50 FIEA C#CCN(Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)C1CCCCC1 20351249 YVVOJHPOKKOLRG-UHFFFAOYSA-N 368.477 4.435 30 50 FIEA C#CCCC1(CCC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)N=N1 952880050 IWAPZVMPYOXSEY-KRWDZBQOSA-N 351.450 4.295 30 50 FIEA C#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C#C)c3)c2)c1 808587 VEOWUOYQMGZSEO-UHFFFAOYSA-N 364.404 4.154 30 50 FIEA C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc3c(c2)OCO3)c1 975950 CPMDUHSOYKOXMB-UHFFFAOYSA-N 352.434 4.183 30 50 FIEA CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc(Br)cc2)c1 1151729 HWQUIGXUGQMJTI-ZHACJKMWSA-N 374.234 4.434 30 50 FIEA C=CCOc1ccccc1CN1CCOc2ccc([C@@H](O)C(C)C)cc2C1 11840032 PRHIXRYFPQPEBZ-QHCPKHFHSA-N 367.489 4.335 30 50 FIEA Cc1nc(NCc2cccc(C(F)(F)F)c2)c(C#N)c(C)c1[N+](=O)[O-] 19732761 DSQPUTXGLDUEEP-UHFFFAOYSA-N 350.300 4.109 30 50 FIEA Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1ccccc1Cl 20150263 LUTXIHFTNWRKIR-JTQLQIEISA-N 368.849 4.186 30 50 FIEA C=C(C)COc1ccccc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 55243645 DGBMHQWKJYALEL-INIZCTEOSA-N 355.438 4.125 30 50 FIEA O=C1C[C@H](c2ccccc2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218017179 HREMCHNSQMOONC-HPKGMJOESA-N 369.376 4.139 30 50 FIEA biogenic C=CCc1cccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c1O 1321891 GVUOLJVWPLYKCI-UDWIEESQSA-N 350.447 4.232 30 50 FIEA CCn1cc(Br)c(C(=O)/C=C/c2ccc(OC(F)F)cc2)n1 6636001 UMPKEAQXACDTMM-VMPITWQZSA-N 371.181 4.163 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1 19882207 QPOWVFQWONVQKZ-ZVHZXABRSA-N 361.411 4.166 30 50 FIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 6819816 CDVYWMXSISIVRG-ZFWWWQNUSA-N 367.470 4.151 30 50 FIEA Cc1cnc(/C(O)=N/CC2(c3ccc(Br)s3)CCC2)cn1 329109686 QBGFKHDNFSADLD-UHFFFAOYSA-N 366.284 4.036 30 50 FIEA CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2ccc(C#N)cc2)cc1 426578534 DQDQXZIAXOUBGQ-UHFFFAOYSA-N 361.489 4.172 30 50 FIEA C=CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 5008658 HJJALFCYOPGZPF-RMKNXTFCSA-N 354.402 4.173 30 50 FIEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118914513 YRLVTBXOGJMZNC-LXGBQXIBSA-N 372.505 4.217 30 50 FIEA biogenic N#Cc1cc2c(nc1SC[C@@]1(O)CCCc3ccccc31)CCCC2 1119131 GSLUDJFXRADELM-NRFANRHFSA-N 350.487 4.148 30 50 FIEA S=c1[nH]nc(-c2ccccc2)n1/N=C/c1cccc(Br)c1 1755219 GESPWZBVNAYMDX-LICLKQGHSA-N 359.252 4.252 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1ccccc1F)Nc1ccccc1-2 2073583 BKYYEIAMTKALHZ-QGZVFWFLSA-N 366.421 4.459 30 50 FIEA Sc1nnc(-c2ccncc2)n1/N=C/c1ccc(-c2ccccc2)cc1 6062151 MAXPBGIABADKOQ-HYARGMPZSA-N 357.442 4.178 30 50 FIEA C=CCN1CC2(CCC1=O)CCN(Cc1cc(C3CCCCC3)no1)CC2 91486048 ORCUXOBFQWGXSS-UHFFFAOYSA-N 371.525 4.113 30 50 FIEA CC1(C)CC[C@@H](C/N=C(/O)N2CCC(c3ncc[nH]3)CC2)c2ccccc21 329094087 KJLJQCDGPOFQDB-KRWDZBQOSA-N 366.509 4.358 30 50 FIEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ccc(C#N)cc1)CC2 433231130 WQRBPYHEHMSWHS-FQEVSTJZSA-N 365.502 4.027 30 50 FIEA Cc1cscc1N=C(O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328636676 OEWBBWRDENFKEE-OAHLLOKOSA-N 373.526 4.030 30 50 FIEA CCCc1nc(C)c(CNC(=O)CC2=C(c3ccccc3)CCC2=O)s1 823023303 AYCMICWPTDCCOY-UHFFFAOYSA-N 368.502 4.227 30 50 FIEA CC(C)c1ccccc1NC(=O)[C@H](C)NCc1ccc(C#N)c(Cl)c1 2325701854 DOAQLSHNKBMJRE-AWEZNQCLSA-N 355.869 4.452 30 50 FIEA C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 1066705 DHDBUGMDPBMDJT-XMMPIXPASA-N 371.436 4.223 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 2878403 VBHHFAPYHDMDRG-HNNXBMFYSA-N 354.460 4.381 30 50 FIEA CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 2592473 ANHKNXOHGWUWKF-FYJGNVAPSA-N 367.478 4.080 30 50 FIEA COc1ccccc1/C=N/n1c(-c2ccccc2C)nc2ccccc2c1=O 2981303 SNBLXCWBAIEWFY-BUVRLJJBSA-N 369.424 4.263 30 50 FIEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4913841 IPSJCTKSRSXKHW-GDBMZVCRSA-N 367.470 4.151 30 50 FIEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1 27639162 ZHCXQFHXZFWVRT-UJPRJSBMSA-N 370.489 4.333 30 50 FIEA in-vitro Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)c2cnn(C)c2n1 175654155 PLWIWQRODDMDSF-UHFFFAOYSA-N 373.441 4.129 30 50 FIEA Cc1ccc2nc([C@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH]c2c1 408226683 OVDFUCXRXRFFGL-INIZCTEOSA-N 357.461 4.011 30 50 FIEA CC(C)OC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2 1184632 QUEQIBJRPLFDFA-UHFFFAOYSA-N 352.459 4.153 30 50 FIEA O=S(=O)(Nc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1 1384311 QMZNERGDHQXWCY-UHFFFAOYSA-N 351.402 4.026 30 50 FIEA CCOc1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)cc1OC 1475376 CEAFSWQAMYWBDV-XDHOZWIPSA-N 360.483 4.278 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)cc1)Nc1ccccc1-2 4123945 CXQOOSUYYIPBGI-QGZVFWFLSA-N 364.430 4.025 30 50 FIEA N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccc2c(c1)OCO2 4838243 NGUUVCGIMPCISS-GQCTYLIASA-N 351.387 4.119 30 50 FIEA Cc1sc(C)c(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c1C#N 2325862983 PNPWJMRLVOIVDU-UHFFFAOYSA-N 350.783 4.155 30 50 FIEA CC[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1 4750556 MFBHQHOUVWZKMI-LBPRGKRZSA-N 368.458 4.158 30 50 FIEA CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)ccc1O 3904857 DLKJDCMSUYIMHY-NRFANRHFSA-N 350.418 4.377 30 50 FIEA N#Cc1ccc(N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)nn1 253418741 YADYIMIKKCTQLR-ZFWWWQNUSA-N 355.239 4.289 30 50 FIEA N#Cc1ccc(NC(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 72140408 VXEHQFOXOYWDHP-IBGZPJMESA-N 361.445 4.004 30 50 FIEA CCc1nn(-c2ccc(F)cc2)c2cc([C@]3(C#N)CC[C@@H](O)CC3)ccc12 149725139 CQNGGQNKIWDNSU-LBZQVFOQSA-N 363.436 4.423 30 50 FIEA CC1(C)CN(CCC(O)=Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1 329823183 HOJPIICYBNDBEJ-WMZOPIPTSA-N 361.873 4.079 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@@H]1c1ccsc1 241707074 QMKFDBKMTHRKHQ-QUCCMNQESA-N 370.470 4.466 30 50 FIEA Cc1cc(/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)s1 328609007 BWUFCPHZQLPTCI-HNNXBMFYSA-N 363.483 4.344 30 50 FIEA Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Br 4912549 DZARHRKIOZHVOE-GFCCVEGCSA-N 362.267 4.004 30 50 FIEA Oc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 5649378 BKKCNGXHXBGRNZ-QGMBQPNBSA-N 365.245 4.128 30 50 FIEA C=CCC1(CC=C)CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 12592949 FBGHXQBNFIJKRF-UHFFFAOYSA-N 367.449 4.342 30 50 FIEA CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(OC)c1 19923532 YUIAOTDSUUDFEL-KXBFYZLASA-N 359.466 4.196 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71589684 NJYNPTBRNXITEN-MRXNPFEDSA-N 354.400 4.321 30 50 FIEA O/C(=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1Cc2ccccc2O1 329531872 WTNUTQAMSPDUQU-MJGOQNOKSA-N 351.450 4.336 30 50 FIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccc(F)cc1 7781670 XNAGPAGNXKILEZ-UHFFFAOYSA-N 366.396 4.404 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 9110870 RYKCERRKFJPUAT-OAQYLSRUSA-N 369.420 4.465 30 50 FIEA C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 329363305 JDFHJYHWWVAULR-PBHICJAKSA-N 373.472 4.010 30 50 FIEA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426658174 GCXXXTBIMXGIBM-IBGZPJMESA-N 352.409 4.005 30 50 FIEA S=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1Br 1473754 GAANKWCOVACVSR-LICLKQGHSA-N 359.252 4.252 30 50 FIEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 1061679 UJBDBLZFCSNRHQ-MRXNPFEDSA-N 361.319 4.194 30 50 FIEA CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 1179237 ZHSLFIRGNUAONW-UHFFFAOYSA-N 360.196 4.223 30 50 FIEA N#Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCC2 2846189 WCSHJWWEIGGOOU-UHFFFAOYSA-N 358.291 4.056 30 50 FIEA CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 5694976 IMHWXJFGEIDBGI-FYJGNVAPSA-N 369.469 4.101 30 50 FIEA CC(NCCSc1ccc(Cl)cc1)=C1C(=O)c2ccccc2C1=O 100428714 MUDNVLPOSYRNIA-UHFFFAOYSA-N 357.862 4.375 30 50 FIEA CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257356664 JOIVCMKYTDBOIY-DWAOSOSVSA-N 356.506 4.491 30 50 FIEA C=CCNC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 1946282 LSMIXSYAXJNILX-DJKKODMXSA-N 354.262 4.237 30 50 FIEA CCn1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 2781881 ZIQNJLSYQUZWMZ-ZDUSSCGKSA-N 356.495 4.239 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccccc1 4312041 DKBXFDQZINNKNM-IBGZPJMESA-N 374.371 4.004 30 50 FIEA CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 16688531 HVMBOGBSRQAJOO-GIJQJNRQSA-N 350.758 4.034 30 50 FIEA Cc1ccc(F)c(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 169984284 UXOFPHPAEAVMKW-UHFFFAOYSA-N 370.233 4.077 30 50 FIEA N#Cc1csc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 177038508 JHUNKJVPYIJITA-UHFFFAOYSA-N 352.459 4.140 30 50 FIEA C#CCOc1ccc2ccccc2c1CN1CCN(c2ccccc2)CC1 20218664 PCSFRMQMQZECIT-UHFFFAOYSA-N 356.469 4.174 30 50 FIEA N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1ccccn1 4306575 ZQDZLSOTXDPZMT-UHFFFAOYSA-N 362.414 4.141 30 50 FIEA O=S(=O)(O)c1cccc2c(/N=C/c3cc(Cl)ccc3O)cccc12 5009675 INASKSXQHVYRSY-VXLYETTFSA-N 361.806 4.196 30 50 FIEA N#Cc1c2c(c(NCc3cccnc3)n3c1nc1ccccc13)CCCC2 5249061 BGHFSUSGWJZMSN-UHFFFAOYSA-N 353.429 4.245 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccsc1 3883274 XVYHFTUSYDJUNR-LPHOPBHVSA-N 356.443 4.076 30 50 FIEA CCc1nc2n(n1)CCC[C@@H]2/N=C(/O)c1ccccc1NC1CCCCC1 329217428 QCUWFPMGHVCOJW-SFHVURJKSA-N 367.497 4.425 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)N=N1 2325892588 SMXZPZWAYFLJBT-INIZCTEOSA-N 362.433 4.407 30 50 FIEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 4915056 KDSIJVSMINDVOZ-HNNXBMFYSA-N 371.477 4.119 30 50 FIEA C[C@H]1CCCN(c2cc(C(O)=Nc3cnc(C(C)(C)C)nc3)ccn2)C1 329745420 RFJOUVFRYYHKQF-AWEZNQCLSA-N 353.470 4.042 30 50 FIEA CCCOc1ccc(Cl)cc1C(=O)/N=C(\N)NC1CCCCCCC1 71775204 OXIKOYKWQZEFEN-UHFFFAOYSA-N 365.905 4.286 30 50 FIEA CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccccc1 1087921 VTEQMSZWUSDZFA-UHFFFAOYSA-N 371.433 4.230 30 50 FIEA CC(C)c1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1 637597 BXCNAOMDTAZIDQ-UHFFFAOYSA-N 355.401 4.130 30 50 FIEA CCOc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)ccc1O 1452265 XODDHISCDKZOMA-MHWRWJLKSA-N 374.849 4.336 30 50 FIEA C=CCn1cc(CN(Cc2ccccn2)Cc2sccc2C)c(C)n1 55042080 CHBINJZYBHPDTG-UHFFFAOYSA-N 352.507 4.345 30 50 FIEA C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 185479633 PWSZFGAPDUBNMV-PKOBYXMFSA-N 374.435 4.469 30 50 FIEA CCC(C)(C)[C@@H]1C/C(=C/c2cnn(C)c2)C(=O)/C(=C/c2cnn(C)c2)C1 249112750 OOKHDJDBMLVJQA-ROZDCHFDSA-N 352.482 4.036 30 50 FIEA CCOC(=O)c1sc(N/N=C/c2ccccc2C(F)(F)F)nc1C 3959049 YUYNBUQKSOBZFT-UFWORHAWSA-N 357.357 4.093 30 50 FIEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)cc1 5669439 BQRIMHPZQFEGSA-UDWIEESQSA-N 352.463 4.493 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(F)c1)c1ccccc1 9087943 WQPJTSPKZZGEFA-IBGZPJMESA-N 374.371 4.004 30 50 FIEA C#CCN(Cc1nc(-c2cccc(OC)c2OC)oc1C)C1CCCCC1 20777406 JHIPOIRKVJCGIN-UHFFFAOYSA-N 368.477 4.435 30 50 FIEA O=[N+]([O-])c1cc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)ccc1Cl 6057518 WQIZGUINPGGJCO-RQZCQDPDSA-N 365.846 4.432 30 50 FIEA Clc1nnc(N/N=C/c2ccc(Br)cc2)c2ccccc12 4856667 PLNDXGSPZLVMHX-GIJQJNRQSA-N 361.630 4.492 30 50 FIEA N#Cc1ccc(-c2cccc(COC(=O)CCCc3cccnc3)c2)cn1 2325855653 KCJKWMJLQSGHSQ-UHFFFAOYSA-N 357.413 4.081 30 50 FIEA CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 6819803 CDVYWMXSISIVRG-HIFRSBDPSA-N 367.470 4.151 30 50 FIEA Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 15016524 YNZFPLFMCFVGKP-DHDCSXOGSA-N 373.821 4.448 30 50 FIEA O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1 15773706 GWOHVBOYOIQSQF-YCRREMRBSA-N 361.353 4.157 30 50 FIEA N#Cc1ccccc1S(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl 16089732 XKBVDFYANWSZLM-UHFFFAOYSA-N 362.621 4.286 30 50 FIEA in-vitro N#Cc1nc(-c2ccco2)oc1NC[C@H](c1ccccc1)N1CCCCC1 28251167 CSQRBGSSJGOOAW-GOSISDBHSA-N 362.433 4.445 30 50 FIEA C=C(C)C(C)(C)CC(=O)c1cn(CCN2CCOCC2)c2ccccc12 299817200 LORODOQLOVWDSW-UHFFFAOYSA-N 354.494 4.149 30 50 FIEA in-vitro COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 996092 DHGUQGRJPKKGML-UHFFFAOYSA-N 356.447 4.158 30 50 FIEA O=C1C(Cl)=C(Cl)C(=O)C2=C1C1c3ccccc3C2c2ccccc21 1673573 BHXOWUDBEKWKER-UHFFFAOYSA-N 353.204 4.415 30 50 FIEA CC(C)CCCC(=O)NCC1(C)CCN(Cc2ccc(C#N)cc2)CC1 2325867680 CBIUAZIUPONJDL-UHFFFAOYSA-N 355.526 4.103 30 50 FIEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 8464107 FDCKLLAKJQNSCV-FQEVSTJZSA-N 370.408 4.173 30 50 FIEA Cc1cc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c(C#N)cc1N(C)C 436495550 HPLAZEVUKCMATN-SFHVURJKSA-N 362.477 4.029 30 50 FIEA CC1(C)CC[C@H](C/N=C(/O)N2CCC(c3ncc[nH]3)CC2)c2ccccc21 329094088 KJLJQCDGPOFQDB-QGZVFWFLSA-N 366.509 4.358 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1N(C)C 752638004 VVJOAMSBOHQECV-PZJWPPBQSA-N 362.477 4.365 30 50 FIEA C=CCc1cc(C)ccc1OCCCCC(C(=O)OCC)C(=O)OCC 4845037 PUWOAQOGHRBTTO-UHFFFAOYSA-N 362.466 4.015 30 50 FIEA O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 4913877 OVZMSZDGUGXJIL-AAEUAGOBSA-N 357.862 4.406 30 50 FIEA C=CCC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12308325 PVBAUOKLMULUHJ-FQEVSTJZSA-N 355.526 4.031 30 50 FIEA COc1ccc(C/N=C(/S)Nc2ccc(F)c(Cl)c2)cc1OC 13519651 UJSLYVRZACPZRK-UHFFFAOYSA-N 354.834 4.394 30 50 FIEA CN1CCCC[C@H]1CCn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 19147409 KCRJOEHJUMRHQN-NRFANRHFSA-N 371.488 4.358 30 50 FIEA CC(C)(C)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(C(C)(C)C)n1 127847564 BPTJSPPPYOZMJA-UHFFFAOYSA-N 360.408 4.338 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1OC 170615220 ABANWPRGFSNBQL-SIKLNZKXSA-N 364.441 4.323 30 50 FIEA Cc1c(/C=C2/C[C@@H](C)C/C(=C\c3cc(C#N)n(C)c3C)C2=O)cc(C#N)n1C 252513377 ZHYKTPBVCYEFGI-PERUMAHYSA-N 372.472 4.190 30 50 FIEA C#CCN(Cc1ccc(C)cc1)C(=O)COc1cccc(OCC(C)C)c1 2325701262 HOBYSELBJRIYRB-UHFFFAOYSA-N 365.473 4.071 30 50 FIEA C=CCC(CC=C)(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1 2866946 GDAGEERTFVZWGH-UHFFFAOYSA-N 355.503 4.364 30 50 FIEA O=[N+]([O-])c1ccc(N=C(c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 257358888 WZSSTJGLNSDOIG-UHFFFAOYSA-N 354.366 4.067 30 50 FIEA N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 2766688 BPPKYAWKHFCYBX-VXGBXAGGSA-N 371.160 4.178 30 50 FIEA CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 254504906 IWRPVTXREVYBHT-BWTXDCIASA-N 372.505 4.265 30 50 FIEA Cc1cccc(C)c1OC[C@H](C)/N=C(/O)N1CCC(c2nccs2)CC1 328779932 UHUDLYUJPDMIJV-INIZCTEOSA-N 373.522 4.321 30 50 FIEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OCc1ccccc1 170008589 STTSUGZMIMUYIF-UHFFFAOYSA-N 367.254 4.043 30 50 FIEA N#CC1(c2ccccc2)CCN(C[C@H]2CCCN2Cc2ccccc2)CC1 1506425641 QJAKUUVSJUIYRT-HSZRJFAPSA-N 359.517 4.208 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(O)cc1 17437242 YWRZMZQUHGUGGB-IBGZPJMESA-N 371.436 4.330 30 50 FIEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)N=N1 1875368700 LJQIWGTXTSFIEA-HOTGVXAUSA-N 363.465 4.061 30 50 FIEA Cc1ccccc1/C(=N/S(=O)(=O)c1ccccc1)Nc1ccccc1 12523972 DFCPONQVTCXJJF-UHFFFAOYSA-N 350.443 4.243 30 50 FIEA C=CCn1c(CN(C)Cc2cccs2)nnc1SCC(=C)Cl 14989239 GJBOZTJMVZDZOI-UHFFFAOYSA-N 354.932 4.002 30 50 FIEA C=CCc1cc(CN2CCC[C@@H]2c2nc(C)no2)cc(OC)c1OC(C)C 55168086 JBKFZHRRWPTXOO-GOSISDBHSA-N 371.481 4.239 30 50 FIEA C=CCn1nc(C)c(C(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)c1C 952961447 YBULXPRLGAKNAK-LJQANCHMSA-N 367.474 4.081 30 50 FIEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F 1058099 LIVFJAVEQRWGIW-UHFFFAOYSA-N 370.409 4.471 30 50 FIEA CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1C#N 1072964 GHLVTHFWZODYCU-UHFFFAOYSA-N 366.486 4.307 30 50 FIEA CC(C)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 100424515 HQOBNNVTNWNVMF-UHFFFAOYSA-N 360.138 4.199 30 50 FIEA CCOc1cc(CN2CCCC2)ccc1Oc1nc(C)cc(C)c1C#N 67695864 PQVXETCDSWXZIZ-UHFFFAOYSA-N 351.450 4.357 30 50 FIEA Cc1c(C(=O)/C=C\c2ccc(COc3ccc(Cl)cc3)o2)cnn1C 6527532 ZZTHHKZXTIRQAQ-KTKRTIGZSA-N 356.809 4.450 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 77303460 FHIRHFMNDQCJOK-UHFFFAOYSA-N 374.419 4.107 30 50 FIEA CC(=O)/C(=C/Nc1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 100068272 ZFXRXOPEEFDANB-UVTDQMKNSA-N 366.314 4.368 30 50 FIEA CCCCOc1cccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1 2372433 WBENFQQZOCHVML-UHFFFAOYSA-N 369.490 4.480 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1F)Nc1ccccc1-2 2073584 BKYYEIAMTKALHZ-KRWDZBQOSA-N 366.421 4.459 30 50 FIEA CCCSC1=N/C(=C\c2cc(Cl)cc(OC)c2OC)C(=O)S1 4913633 VQSKLXRNUJZLOP-XFFZJAGNSA-N 357.884 4.471 30 50 FIEA Cc1cn(C(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 198112843 QWTNJRAMWITLTB-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA CC1(C)OB(C2=CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)OC1(C)C 1875366785 YCRATPWAPXHFCV-UHFFFAOYSA-N 364.298 4.005 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cn2)N=N1 2325892948 VMRPPNWRRBDKOZ-UHFFFAOYSA-N 359.389 4.040 30 50 FIEA C=CCN(C(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccccc2)cs1 134357115 ZULRYGDMLLDSGD-WMLDXEAASA-N 354.475 4.334 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccs1 985892 CRIAIFLJMLPNKS-UHFFFAOYSA-N 370.503 4.232 30 50 FIEA COc1ccc(C(=O)/C=C/c2ccc(OC3CSC3)cc2)cc1OC 4851644 CUZNNESXJRFYRA-WEVVVXLNSA-N 356.443 4.094 30 50 FIEA COc1ccc(/C=N/Nc2cccc3cccnc23)cc1Br 5008900 HCKMZOBPCAVAQG-RGVLZGJSSA-N 356.223 4.452 30 50 FIEA C=CCn1cc(CNCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)n1 55060439 QRKDOWAAXWBGFR-UHFFFAOYSA-N 365.481 4.015 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 66348732 VTHUYJIXSMGYOQ-BSNLUDBSSA-N 372.505 4.409 30 50 FIEA C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 204632985 METQSPRSQINEEU-IWNZDXFOSA-N 366.501 4.306 30 50 FIEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1 426401888 OXVHKGRRVRNWFS-HXUWFJFHSA-N 373.500 4.325 30 50 FIEA COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(OC)cc3OC)C2)cc1 1151689 ADDJHMFFIFVJIV-OAHLLOKOSA-N 353.418 4.155 30 50 FIEA COc1ccc(/C=C/c2nc(C#N)c(NC3CCCCC3)o2)cc1OC 4852724 SQFRVPXJONVFGB-PKNBQFBNSA-N 353.422 4.478 30 50 FIEA C=CCN(CC=C)C(=O)c1sc2ncnc(NCc3ccco3)c2c1C 15068899 YDBSELCYUZKQEX-UHFFFAOYSA-N 368.462 4.019 30 50 FIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 18169718 AMYULXAEKAUHOY-KRWDZBQOSA-N 359.853 4.261 30 50 FIEA N#Cc1ccc(C(F)(F)F)nc1N1CCC(c2nc3ccccc3[nH]2)CC1 301306559 VDSCYZJTLVZJMT-UHFFFAOYSA-N 371.366 4.232 30 50 FIEA N#Cc1ccccc1-c1cccc(C(=O)N2CCC[C@H](CN3CCCC3)C2)c1 426740655 XIOXLTFUAXBGAY-LJQANCHMSA-N 373.500 4.173 30 50 FIEA OCC#Cc1csc(CN(Cc2cccnc2)C2CCCCCC2)c1 55052904 GSEBEUAEEVQPPA-UHFFFAOYSA-N 354.519 4.212 30 50 FIEA C=C(C)c1nc2ccc(-c3ccc4nc(C(=C)C)oc(=O)c4c3)cc2c(=O)o1 844876 SZKHKVCQPXWXHH-UHFFFAOYSA-N 372.380 4.423 30 50 FIEA C=CCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 12282345 JLFVPWJMNCURFE-KRWDZBQOSA-N 366.848 4.484 30 50 FIEA Cc1ccc(CS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 227155110 BLKVTOCBZXYQAO-UHFFFAOYSA-N 372.833 4.149 30 50 FIEA N#Cc1nc(-c2ccccc2)oc1NCCSc1ccc([N+](=O)[O-])cc1 1857800460 DRHBLXXUKHTSEE-UHFFFAOYSA-N 366.402 4.326 30 50 FIEA CCOc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 665460 TZNGNGDFFISGKG-UHFFFAOYSA-N 357.203 4.310 30 50 FIEA Cc1ccc(C#N)c(NCc2cccnc2Oc2ccc(F)cc2F)n1 67740379 SUNYFACERNUYFF-UHFFFAOYSA-N 352.344 4.339 30 50 FIEA C[C@@H]1CCCCN1CCC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 333097043 PHLUZBDCQBAHSU-KMFTYDHNSA-N 374.573 4.002 30 50 FIEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(n3cc(CCCC)nn3)CC1)C2 48135010 CZJCUJAKOYJBCF-JTSKRJEESA-N 370.541 4.167 30 50 FIEA CCN(CC)c1ncnc2sc3c(c12)CC[C@](C#N)(c1ccccc1)C3 1125439 NSZOKQZUWNBCLH-NRFANRHFSA-N 362.502 4.488 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(C)c2)C2=C(CCCC2=O)N1 1213213 NUCGAMACQVGLDV-NRFANRHFSA-N 365.473 4.449 30 50 FIEA Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2Cc1ccccc1 2519857 SPPFQPFQHUMHNV-UHFFFAOYSA-N 355.461 4.477 30 50 FIEA O/C(=N/C1(c2ccc3c(c2)OCO3)CC1)[C@H]1CCCc2c(O)cccc21 330009020 HCDHHHZOJJXFJP-INIZCTEOSA-N 351.402 4.187 30 50 FIEA C=CCOc1ccccc1CN1CCC(CC2CC2)(C(=O)OCC)CC1 12596562 VFMFUEJPSJBQRJ-UHFFFAOYSA-N 357.494 4.197 30 50 FIEA C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 15011995 AUXYITBDQGHTIJ-XNTDXEJSSA-N 371.439 4.032 30 50 FIEA C#Cc1ccc(CN(C)CC2CCN(CCc3ccc(F)cc3)CC2)cc1 15068585 FUJFYRFGPZLTOV-UHFFFAOYSA-N 364.508 4.194 30 50 FIEA C=CCSC1=N/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)S1 3000448 ORBJOUWSUAGOQE-XFFZJAGNSA-N 355.868 4.247 30 50 FIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253501660 URXWVWVPMJSAJD-PCEJQYDGSA-N 370.489 4.185 30 50 FIEA N#Cc1cc(Br)ccc1N1CCC(c2ccccc2CO)CC1 2325749272 YAVHKZXSJOYVRS-UHFFFAOYSA-N 371.278 4.197 30 50 FIEA COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@H](C#N)C2)CCOCC1 952874967 UHPFCDSXJQQBJN-DOTOQJQBSA-N 362.901 4.069 30 50 FIEA CCc1nc([C@@H](C)Sc2[nH]c(=N)cc(N)c2C#N)oc1-c1ccccc1 1875261864 KHTIDUKHMLXUAY-LLVKDONJSA-N 365.462 4.019 30 50 FIEA COc1ccc(/C(N)=N/OC(=O)CC(c2ccccc2)c2ccccc2)cc1 4178305 AQUZWDOOMOSOSQ-UHFFFAOYSA-N 374.440 4.081 30 50 FIEA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1 1054375 DEZBTIWWXQKRMN-LBPRGKRZSA-N 354.479 4.203 30 50 FIEA COc1ccc(OC)c(N/C=C/C(=O)c2ccc(Br)cc2)c1 22032985 DAYPYDBOYMONDX-MDZDMXLPSA-N 362.223 4.275 30 50 FIEA O=C1/C(=C\NC2CCCCC2)Nc2ccc(Br)c(Cl)c21 100392287 XYQJBFYPHWBEAQ-XYOKQWHBSA-N 355.663 4.474 30 50 FIEA Cc1noc([C@@H]2CCN([C@H](C)C(O)=Nc3ccc(Cl)c(Cl)c3)C2)n1 329022087 IGBXQWJBNZXFPN-MWLCHTKSSA-N 369.252 4.151 30 50 FIEA Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 821637937 ALMOMJBCFMOSKN-UHFFFAOYSA-N 372.215 4.007 30 50 FIEA Cc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 6056443 ZJRRGJAWDDLCKJ-VXLYETTFSA-N 358.854 4.364 30 50 FIEA C=CCN(C(=O)[C@H]1CCC(=O)C[C@@H]1C)c1nc(-c2ccccc2)cs1 134357072 ZULRYGDMLLDSGD-YOEHRIQHSA-N 354.475 4.334 30 50 FIEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3cc(C)cc(C)c3)o2)cc1 2050024820 ATPNPFCAJXRJGN-UHFFFAOYSA-N 366.442 4.112 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1C 19537395 WQUOQYJPCFTZIT-FQEVSTJZSA-N 367.489 4.471 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 19772307 RXRLZOQYQFCAOD-LJQANCHMSA-N 357.475 4.202 30 50 FIEA CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(Br)c2)CC1 66346462 IGMCICOJYOOAIS-UHFFFAOYSA-N 365.271 4.241 30 50 FIEA Cc1nc(N=C(O)c2oc(CC3CC3)nc2C)ccc1Br 328591330 CSSVOGRMHXURMK-UHFFFAOYSA-N 350.216 4.038 30 50 FIEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1OC 1170098 FBKRCOGMORAUHG-OAQYLSRUSA-N 350.418 4.290 30 50 FIEA Cc1nc(C(F)(F)F)nc(Nc2ccc(Br)cc2)c1C#N 1204709 YJKZDDZHZRBDKZ-UHFFFAOYSA-N 357.133 4.182 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 2977966 VQIWPWVKKIMQQX-QGZVFWFLSA-N 366.421 4.459 30 50 FIEA COc1ccc2[nH]cc(CC/N=C3/CCc4cc(OC)c(OC)cc43)c2c1 4632141 ZWTXTIKDWWTGBF-NMWGTECJSA-N 364.445 4.172 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1cccc(C(F)(F)F)c1 16771403 DXTMCFZBFJNDOP-AWEZNQCLSA-N 350.365 4.167 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@@H]1c1ccsc1 241707075 QMKFDBKMTHRKHQ-UYAOXDASSA-N 370.470 4.466 30 50 FIEA CC(C)c1noc2nc(C3CC3)cc(/C(O)=N/[C@H]3CCCc4c[nH]nc43)c12 330138786 VUINUQDSHIXXDK-AWEZNQCLSA-N 365.437 4.329 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 2784341 VFSYMOATIRJYEG-IBGZPJMESA-N 371.502 4.330 30 50 FIEA Cc1ccc(-c2csc(NC(=O)CSc3ncccc3C#N)n2)cc1 7051794 GRWKRSPEURHAIB-UHFFFAOYSA-N 366.471 4.116 30 50 FIEA C=CCN(Cc1ccccc1Cl)C(=O)[C@@H](c1cccnc1)N1CCCC1 55358890 AUYOBUPIMWIWCU-HXUWFJFHSA-N 369.896 4.087 30 50 FIEA Cc1c(NC(=O)C2CCCC2)ccc2c1NC(=O)C[C@@H]2c1ccccc1C#N 65455380 NFZIWDKSBZAZJD-LJQANCHMSA-N 373.456 4.470 30 50 FIEA F/C(I)=C(\F)C(F)(C(F)(F)F)C(F)(F)F 100423640 KVLZYXPNBHIUMY-OWOJBTEDSA-N 357.941 4.362 30 50 FIEA in-vitro Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 252467294 ANYSKZGJSBHZPP-QPQRCMGNSA-N 362.473 4.244 30 50 FIEA N=C(O)[C@@H]1CCCCC[C@@H]1/N=C(/O)N[C@H](C[C@H]1CCOC1)c1ccccc1 328760347 XECNESOOEUIBHR-OQIJWPOYSA-N 373.497 4.142 30 50 FIEA Cc1cccc(N=C(O)[C@@H](C)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1 328725661 ZFXXTUIKIAWUCP-ATZDWAIDSA-N 350.466 4.025 30 50 FIEA CCN(CC)CCc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 170612072 DOEIFZDSSINNFE-UHFFFAOYSA-N 364.493 4.106 30 50 FIEA CC(=O)OCc1c(C)cc(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1C 4955873 QLVCCEXNCQPGMM-KEBDBYFISA-N 355.394 4.029 30 50 FIEA C#CCCC1(CCC(=O)N[C@H](COC)c2cc3ccccc3s2)N=N1 2325892768 BDDIYZZJLJZCFV-OAHLLOKOSA-N 355.463 4.061 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(N(C)C)cc1 170615272 RZKYMRPHXNRLSH-QUCCMNQESA-N 369.486 4.133 30 50 FIEA C=C(C)COc1ccccc1NC(=O)NCc1csc(N2CCCC2)n1 299795135 MGJNZZWRCCLKTF-UHFFFAOYSA-N 372.494 4.020 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1 1162016 WFSXFPKVPYMYPU-CMDGGOBGSA-N 350.187 4.405 30 50 FIEA Cc1c(CCC(C)C)c(NCCN(C)C)n2c(nc3ccccc32)c1C#N 4115363 YLLVKKTVADGTOZ-UHFFFAOYSA-N 363.509 4.230 30 50 FIEA C=CCOc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 4868686 XHRDEGCWGPMADX-UHFFFAOYSA-N 350.187 4.405 30 50 FIEA O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253396002 ASQCYGRPCVMXFF-GZQZNAIASA-N 358.349 4.337 30 50 FIEA biogenic N#Cc1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCCC2 754520 ZJMHAOOQZMZPGX-ZHACJKMWSA-N 367.499 4.025 30 50 FIEA C=CCOc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 4649738 IPLGNVKYCBDJCF-UHFFFAOYSA-N 358.869 4.354 30 50 FIEA C=CCOc1c(Cl)cc(CN(Cc2nccn2C)C2CC2)cc1Cl 55119367 DLNSMOIAHQCINE-UHFFFAOYSA-N 366.292 4.456 30 50 FIEA C=C(C)COc1ccccc1C(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 55153952 CZBYHRFAZQIPDQ-INIZCTEOSA-N 369.465 4.168 30 50 FIEA N#Cc1c(-c2ccoc2)cc(-c2cc(CN3CCCC3)cs2)nc1N 71757009 YDBDLHZLHYLONR-UHFFFAOYSA-N 350.447 4.120 30 50 FIEA O=C(OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cccnc1 225489181 KCKZUJHDVLHEOE-UHFFFAOYSA-N 353.193 4.014 30 50 FIEA Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cc(Cl)ccc1Cl 821638254 OZGFPBLJPGWVNT-UHFFFAOYSA-N 372.215 4.007 30 50 FIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1 6819687 XWCQGZOPMHBJJZ-PKOBYXMFSA-N 361.441 4.008 30 50 FIEA Cc1ccc(/N=C/N(C)SN(C2CCCCC2)S(C)(=O)=O)c(C)c1 39425547 LNWGWBONGPQIQK-QGOAFFKASA-N 369.556 4.053 30 50 FIEA CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(C#N)cc3)nc12 253470623 RCKZURLSMPYRJK-UHFFFAOYSA-N 357.461 4.169 30 50 FIEA CC1(C)C[C@H](Nc2c(C#N)cnc3c(Br)cccc23)CCO1 408422627 JITUDIUDULSLOK-GFCCVEGCSA-N 360.255 4.238 30 50 FIEA N#CC1(c2ccc(N/C=C3/C(=O)Oc4ccccc4C3=O)cc2)CCCC1 826684786 UVEOJMXRNUBDEK-QGOAFFKASA-N 358.397 4.120 30 50 FIEA Cc1ccc(C)c(NC(=O)C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1 1613722 ZRRBYYIOLPSPFH-GFCCVEGCSA-N 361.228 4.425 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)cc1 20191415 WNDIXGVPUOWMQF-LPYMAVHISA-N 362.304 4.454 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 254835678 NHUDOBXYMZWEFY-PQELXKSKSA-N 372.505 4.265 30 50 FIEA Cc1ccc([C@H]2C[C@@H](C)N(C(O)=Nc3c[nH]nc3-c3nccs3)C2)cc1 330190747 MPPAPXBAMHJVQA-HIFRSBDPSA-N 367.478 4.265 30 50 FIEA C=CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 85221253 LRSIYGFZZWFAAI-HXUWFJFHSA-N 365.429 4.335 30 50 FIEA in-vitro Cc1cc2c(c(O)n1)C(=O)O/C2=C/c1ccc(C#Cc2ccc(F)cc2)cc1 1848444111 LJKPLFYQIWXEJQ-DEDYPNTBSA-N 371.367 4.303 30 50 FIEA C#CCCC1(CCC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)N=N1 952880333 JYQUVFYKJXONQW-CQSZACIVSA-N 353.422 4.283 30 50 FIEA C=CCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21 877501 USSPXMSMTCVCAW-UHFFFAOYSA-N 360.442 4.141 30 50 FIEA N#CCCn1cc(C(=O)Oc2ccccc2)c(-c2cccc(Cl)c2)n1 3356869 BOQHKLPJGRBAJB-UHFFFAOYSA-N 351.793 4.336 30 50 FIEA C[C@H](/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 4800644 LENWKBBBHUITLU-NFFVOIMASA-N 364.470 4.173 30 50 FIEA O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819495 PBBIXQVGJHKPFN-BBRMVZONSA-N 369.823 4.483 30 50 FIEA COc1ccc(/C=N/Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 4992008 KLBVDHJPUZDKEL-RGVLZGJSSA-N 352.463 4.333 30 50 FIEA O=C1Nc2ccc(Cl)cc2/C1=N\Nc1ccnc2cc(Cl)ccc12 5067331 YJSKRMMCIYSGRO-UHFFFAOYSA-N 357.200 4.310 30 50 FIEA C(=N/N1CCN(c2ccccn2)CC1)\c1cccc(Oc2ccccc2)c1 100575784 MSVHRGQKHWUQIK-HKOYGPOVSA-N 358.445 4.030 30 50 FIEA Cc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 239174322 PTTFBJMAXQDBBB-UHFFFAOYSA-N 357.457 4.310 30 50 FIEA OC(=Nc1ccc(OCc2ccccn2)c(F)c1)c1c[nH]c2cccnc12 328594613 YYLHMFOJFAPJHD-UHFFFAOYSA-N 362.364 4.312 30 50 FIEA N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCCCC(=O)O 334162722 QNKNRZMEGLYDQS-UHFFFAOYSA-N 363.417 4.347 30 50 FIEA N#Cc1cc2c(nc1SC[C@H](O)COc1ccc(Cl)cc1)CCCC2 911445 JWBDQNVKXPUKNN-MRXNPFEDSA-N 374.893 4.017 30 50 FIEA Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1C 2977802 JBTJXCYHQAVBRE-DHRITJCHSA-N 373.460 4.119 30 50 FIEA O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1cccc2ccccc12 6133178 YDSJYRGHGMNYHW-KWJZBXMYSA-N 359.454 4.004 30 50 FIEA C=CCN(Cc1ccccc1Cl)C(=O)c1ccc(C#CC(C)(C)O)cc1 55360685 FFSJOVFRQQRREG-UHFFFAOYSA-N 367.876 4.291 30 50 FIEA Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)nc(C)n1 241684865 QFVRHBQQIKYVJY-ZNMIVQPWSA-N 359.351 4.092 30 50 FIEA C[C@H](C(=O)c1ccc(Cl)cc1)[n+]1cccc(NC(=O)c2ccccc2)c1 3098776 ICRPKZSHXGASJV-OAHLLOKOSA-O 365.840 4.324 30 50 FIEA CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4913949 PLXAXNGGZSCJSZ-ZFWWWQNUSA-N 369.511 4.474 30 50 FIEA Oc1ccc2ccccc2c1C=Nn1c(S)nnc1C1CCCCC1 244716101 LILNRAQFQLWKEF-UHFFFAOYSA-N 352.463 4.356 30 50 FIEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)o1 952964218 ORPNYOVMNRZYMP-IBGZPJMESA-N 369.436 4.299 30 50 FIEA O=C(O)CC/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 4090486 RFFQJWDKJXBUPB-LPYMAVHISA-N 371.746 4.435 30 50 FIEA C=CCSc1ccccc1C(=O)NCc1nc(-c2cccc(C)c2)no1 13533660 XDZJTYMGJUFHKK-UHFFFAOYSA-N 365.458 4.253 30 50 FIEA CN(C)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4116837 GUHLDDUULKLZMJ-SSDVNMTOSA-N 351.479 4.082 30 50 FIEA CC1=C/C(=N\OC(=O)c2ccccc2Br)C(C(C)C)=CC1=O 12377455 OSVWNHNKTGVCPN-XDJHFCHBSA-N 362.223 4.073 30 50 FIEA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(F)cc(C#N)c2)cc1 77408293 OAXBZXXFXTYRHA-NRFANRHFSA-N 365.452 4.126 30 50 FIEA Cc1ccc(C(C)(C)CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)nc1 862779812 HYGPQPLLAMWTAM-UHFFFAOYSA-N 361.489 4.168 30 50 FIEA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC(=O)[C@]12C 257349138 LSGSISOIJKSALZ-VOHUSGHWSA-N 372.505 4.123 30 50 FIEA CC1(C)OB(c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)OC1(C)C 169746624 YLKLBLPBMZYOIU-UHFFFAOYSA-N 372.661 4.283 30 50 FIEA in-vitro COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1 1857799203 QXRHFLKMYZLEIX-WOJBJXKFSA-N 371.440 4.389 30 50 FIEA Cc1ccc(S(=O)(=O)Nc2ccccc2N/C=C2\CCCCC2=O)cc1 1207384 LUFVELJVLAEYFM-JQIJEIRASA-N 370.474 4.235 30 50 FIEA COc1ccc(-c2csc(NC(=O)c3ccco3)c2C#N)cc1OC 4777385 QGTLWDGQORRPTF-UHFFFAOYSA-N 354.387 4.149 30 50 FIEA N#Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)c(F)c1 4866687 GYJKHNXRMMHVDJ-UHFFFAOYSA-N 353.578 4.366 30 50 FIEA C=C(C)COc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 9865756 GCGGMYXBCRWEJR-NRFANRHFSA-N 367.445 4.452 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1nccs1 25695243 JHZHNVKPRXSFNS-UHFFFAOYSA-N 356.491 4.116 30 50 FIEA C=CCN(Cc1ccccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1 55153024 CKVPBXPINNTVOC-UHFFFAOYSA-N 368.864 4.295 30 50 FIEA C=C(C)[C@H](NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)c1ccc(F)c(F)c1 332107374 ACOJGDJOGQOJTC-KXBFYZLASA-N 374.435 4.203 30 50 FIEA CN(C)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 5809983 VLTAXXKEMIVQDN-YBFXNURJSA-N 357.870 4.209 30 50 FIEA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118914512 YRLVTBXOGJMZNC-QGZPSTLZSA-N 372.505 4.217 30 50 FIEA biogenic COc1ccccc1N1CCN(/N=C\c2cccc(Cl)c2Cl)CC1 4892941 LAWUFTXCCBYJQR-BKUYFWCQSA-N 364.276 4.158 30 50 FIEA Cc1ccc(C#N)c(N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 71747319 YNDIUTHGEYESGM-INIZCTEOSA-N 373.378 4.380 30 50 FIEA N#Cc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)c1 426740654 XIOXLTFUAXBGAY-IBGZPJMESA-N 373.500 4.173 30 50 FIEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1 17027570 XPCMPMJIYXGPQP-ZSEKCTLFSA-N 350.418 4.443 30 50 FIEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCC2(CCOCC2)C1 328722769 XSSIEGRYDOBIRX-UHFFFAOYSA-N 365.477 4.029 30 50 FIEA CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@]3(C)[C@H](C(C)=O)CC[C@H]23)[C@@]2(C)CCC(=O)C=C12 254507934 SUCNAJORKZIPDF-UUHQUXNKSA-N 372.505 4.265 30 50 FIEA OCC#Cc1csc(CN2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)c1 65532443 LUVIDDSYDRGNSM-OAQYLSRUSA-N 374.509 4.143 30 50 FIEA C[C@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 170625323 IVGNIFOSJQQLFM-HNAYVOBHSA-N 352.507 4.457 30 50 FIEA O=[N+]([O-])c1ccc2c(C=Nc3ccc(Br)cn3)c(O)ccc2c1 252679390 LRYMEAXUMWVDPB-UHFFFAOYSA-N 372.178 4.362 30 50 FIEA O=S(=O)(O)CCCN1/C(=C\C=Nc2ccccc2)Sc2ccccc21 254288702 BBNSCFVDGDDQRS-ZXHDCMKESA-N 374.487 4.121 30 50 FIEA Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1 43205072 SUNXHXDJOIXABJ-NSHDSACASA-N 354.364 4.180 30 50 FIEA in-vitro C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@]21C 253617058 RSBPOYAJCVXJON-DCHYVTPWSA-N 374.521 4.009 30 50 FIEA C=C1CCN(C(=O)c2cc3c(Br)cncc3s2)C2(CC2)C1 1875297930 ISOHVYQXUMLQOJ-UHFFFAOYSA-N 363.280 4.384 30 50 FIEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(F)cc1 5388891 OKHSGNVYZBKTJE-UHFFFAOYSA-N 352.369 4.096 30 50 FIEA CCc1cccc2c(C3CCN(C(=O)c4ccc(C#N)c(O)c4)CC3)c[nH]c12 190918618 GLWPARREJDODDL-UHFFFAOYSA-N 373.456 4.327 30 50 FIEA Oc1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1Cl 5649741 VSPLZTPGJAKDAX-QGMBQPNBSA-N 365.245 4.128 30 50 FIEA O=[N+]([O-])c1ccc(N/N=C2\CCCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 12524290 OXWJCYWFEMNOSV-FDXCNZBMSA-N 355.354 4.024 30 50 FIEA C=C(C)COc1c(CN2CCCC[C@@H]2c2nc(C)no2)cccc1OC 55061077 JNVHYRPAWBFZSM-QGZVFWFLSA-N 357.454 4.069 30 50 FIEA CCc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C/N=C(/O)OC(C)(C)C)C2)s1 328593790 JPPRYLWMWVPRJF-BFUOFWGJSA-N 366.527 4.138 30 50 FIEA N#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1 426402194 ZATAUUMFLUAVJJ-UHFFFAOYSA-N 360.457 4.258 30 50 FIEA N#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCNCC3)CC2)cc1 426445695 XIKFDZHLQQEWJT-UHFFFAOYSA-N 373.500 4.221 30 50 FIEA CCOc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c(O)c1 4315149 HAOZCDFZYFVXED-LSHDLFTRSA-N 368.462 4.120 30 50 FIEA COCc1cc(C)nc2sc(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)c12 6659465 MJDKCTWGWSRCJE-AWQFTUOYSA-N 366.402 4.282 30 50 FIEA Cc1cc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)nc(C)n1 241684864 QFVRHBQQIKYVJY-KKUMJFAQSA-N 359.351 4.092 30 50 FIEA CC(C)(C)c1cnc(CN/C(O)=N/C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 330727959 GMIOZYCISSANCA-RYUDHWBXSA-N 361.408 4.344 30 50 FIEA O=C(c1coc(C#Cc2ccccc2)c1)N1CCC=C(c2ccncc2)C1 2325721442 LZIQNRMRUOBLGZ-UHFFFAOYSA-N 354.409 4.004 30 50 FIEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1F)c1ccccc1 4312104 XIGUOQIINOUMRE-LJQANCHMSA-N 374.371 4.004 30 50 FIEA Cc1c(C#N)c2c3ccccc3ccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 5677963 AKMRELLDAQVSBI-UHFFFAOYSA-N 355.353 4.412 30 50 FIEA C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(Cl)cc1 6701168 KAXVFFGVRREEGN-UHFFFAOYSA-N 364.902 4.047 30 50 FIEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 6813221 JSAUBHSWNZUTAJ-FQEVSTJZSA-N 370.408 4.173 30 50 FIEA Cc1noc(C)c1Cn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 20535612 AOGNGMGIXNQSKL-UHFFFAOYSA-N 355.401 4.137 30 50 FIEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccs1 239121181 JMGACQFWLUTIBU-UHFFFAOYSA-N 359.498 4.470 30 50 FIEA Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c(C)c1 4421948 XVFRIWPBLFIXJE-UHFFFAOYSA-N 360.457 4.492 30 50 FIEA N#Cc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67841726 PXUJAUMFDWURAM-QGZVFWFLSA-N 361.228 4.079 30 50 FIEA C=CCn1c(CN(C)C/C(C)=C/C)nnc1SCc1cccc(F)c1 11787658 UOWUVZBNWYKDSM-GIDUJCDVSA-N 360.502 4.294 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 19772487 LIAKGBFHHZIGPB-JOCHJYFZSA-N 373.452 4.495 30 50 FIEA C#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c(C)c2)oc1C 20537056 JYHLMFUIXLTKQQ-UHFFFAOYSA-N 350.418 4.195 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2C)C[C@H]1c1cccc(OC)c1 252490140 KJZJYJQMNNCEKP-UNMCSNQZSA-N 364.441 4.323 30 50 FIEA O=C1C[C@H](c2cccnc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253411454 OPZDVWWNEOGZOK-HPKGMJOESA-N 369.376 4.139 30 50 FIEA biogenic CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(C)c1 4828314 LTWJFZUHCPCPQF-UHFFFAOYSA-N 360.207 4.247 30 50 FIEA Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 20616342 GUFIQDFEBKRBPM-UHFFFAOYSA-N 361.401 4.189 30 50 FIEA CN(C)[C@H](/C(O)=N/CC1(c2ccc(F)cc2)CCCCC1)c1cncn1C 328592864 PIAQHBUJURKWGV-IBGZPJMESA-N 372.488 4.021 30 50 FIEA OC(=Nc1nc(C2CCOCC2)cs1)N1CCC[C@@H]1c1ccsc1 329431765 KKGCSHBQGSAYGA-OAHLLOKOSA-N 363.508 4.481 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccs1 225508830 WQPGCGXUGIAVMW-HNAYVOBHSA-N 356.443 4.076 30 50 FIEA C[C@H](O)c1cccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)c1 1061104 JCYFSPBTFBQZMQ-KRWDZBQOSA-N 363.457 4.039 30 50 FIEA Cc1cc(NC(=O)CC2=C(c3ccccc3)CCC2=O)n([C@@H](C)C2CC2)n1 1506411660 JJMAGWZFDNJWMZ-HNNXBMFYSA-N 363.461 4.308 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 723822 OHUCFIQAWMFJEL-UHFFFAOYSA-N 370.865 4.155 30 50 FIEA O/C(=N/[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)N1CCCCO1 328685471 FQNWXCWCOFDVCM-HXUWFJFHSA-N 352.434 4.042 30 50 FIEA C=CCn1c(SCc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 1218059 XPEAVEOFVUQIBE-UHFFFAOYSA-N 352.419 4.332 30 50 FIEA CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1 3995477 XQDXIHYKAGHZRX-LJQANCHMSA-N 366.457 4.380 30 50 FIEA in-vitro CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 5825019 SERCBIWFHZHHTK-KGENOOAVSA-N 367.478 4.080 30 50 FIEA CO[C@@]1(c2ccccc2)C(=O)C(=O)C(c2ccccc2)=C1c1ccccc1 6380342 GTNJSTNEJXADIH-XMMPIXPASA-N 354.405 4.291 30 50 FIEA Cn1cc(C#N)cc1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91445144 BOIYLFCMTCOLQR-UHFFFAOYSA-N 369.468 4.119 30 50 FIEA COc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 95531887 CICDFLWJXQNRLD-FPLPWBNLSA-N 362.769 4.074 30 50 FIEA N#CC(C#N)[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 629088 ORVQHQURHYOVKW-KRWDZBQOSA-N 353.219 4.469 30 50 FIEA COc1cc(-c2cc(-c3scnc3C)nc(N)c2C#N)c(Cl)cc1O 71614935 YVVUVFGUHVCQRL-UHFFFAOYSA-N 372.837 4.002 30 50 FIEA CN(CCC1(O)CCCC1)C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426678116 OGZGPYHHGSZAHW-UHFFFAOYSA-N 366.436 4.132 30 50 FIEA Cc1ccc(NC(=O)C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c(C)c1 5681667 XTBAOOGGELANLD-GFCCVEGCSA-N 361.228 4.425 30 50 FIEA Cc1c(CCC#N)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N 5354693 LKCPPNDNZITWCN-UHFFFAOYSA-N 366.428 4.131 30 50 FIEA COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)cc1OC 1185892 LTWDDBQRJXGAIU-UHFFFAOYSA-N 355.397 4.363 30 50 FIEA Cc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 1225956 NVLLNCZVEVYHMM-QURGRASLSA-N 364.470 4.034 30 50 FIEA Cc1sc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c(C#N)c1C 13482320 ASJASRUWLZUSCV-NSIKDUERSA-N 373.528 4.133 30 50 FIEA CN(C)/C=C/C(=O)[C@@H](Cc1c(F)cccc1Cl)C(=O)c1ccccc1 20218987 BFIJEZTVDIBSKM-LPQFERQCSA-N 359.828 4.165 30 50 FIEA N#Cc1ccsc1N=C(O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 329036564 CJUKWHPTHAABLV-KZNAEPCWSA-N 351.475 4.476 30 50 FIEA C[C@@H]1Oc2ccccc2[C@@H]1N/C(O)=N/[C@@H]1CCCOc2c(F)cccc21 329607995 BLKXIDBWGHRVOF-BJOOFOGMSA-N 356.397 4.065 30 50 FIEA Cc1cc(F)ccc1C1CCN(/C(O)=N/C[C@H]2CCCn3ccnc32)CC1 330193033 AFDAOAMVBPCDOX-QGZVFWFLSA-N 370.472 4.002 30 50 FIEA CO[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 331041019 CIWPBEKRCKUZDY-LALPHHSUSA-N 355.265 4.270 30 50 FIEA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 331041022 CIWPBEKRCKUZDY-ZOWXZIJZSA-N 355.265 4.270 30 50 FIEA C#CCCC1(CCC(=O)Nc2cccc3c2CN(CCC(C)C)C3)N=N1 952882338 PSJQRMHMNRGWPK-UHFFFAOYSA-N 352.482 4.343 30 50 FIEA Cc1ccc(N(CCC#N)C(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1875321248 ZQTCSYSEQYLMNS-UHFFFAOYSA-N 370.452 4.178 30 50 FIEA C(=N/N1CCN(c2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 1743029 OBSNIRWZYAWGOP-NCELDCMTSA-N 371.484 4.422 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 2784342 VFSYMOATIRJYEG-LJQANCHMSA-N 371.502 4.330 30 50 FIEA N#CC(C#N)[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 4177016 ORVQHQURHYOVKW-QGZVFWFLSA-N 353.219 4.469 30 50 FIEA C=CCN(C(=O)[C@@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccccc2)cs1 134357093 ZULRYGDMLLDSGD-RHSMWYFYSA-N 354.475 4.334 30 50 FIEA COc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1ccccc1 239235605 WHIHWVAKTRTELU-UHFFFAOYSA-N 360.442 4.278 30 50 FIEA Cc1cccc(N=C(O)[C@H](C)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1 328725662 ZFXXTUIKIAWUCP-KFKAGJAMSA-N 350.466 4.025 30 50 FIEA N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]2)c1 491899064 JUWLDJYTAHGTSG-YQVWRLOYSA-N 362.477 4.171 30 50 FIEA COc1ccc(C=Nn2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 239235472 WASXKKCDZRXBRF-UHFFFAOYSA-N 366.490 4.422 30 50 FIEA N#Cc1cc(Sc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N 1443906 ALESMBHEVYNLDH-UHFFFAOYSA-N 355.850 4.071 30 50 FIEA COc1cncc(/C=C/C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 2325729138 YHVXBBXUIIVOSK-NYYWCZLTSA-N 356.381 4.248 30 50 FIEA C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=S 1201678 OLCXNWYOHRRZLO-SFQUDFHCSA-N 354.500 4.481 30 50 FIEA S=C(N/N=C/c1cccc(OCc2ccccc2)c1)NC1CCCCC1 2533889 AFGIQMNQHRKDPO-PXLXIMEGSA-N 367.518 4.396 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccsc1 3883276 XVYHFTUSYDJUNR-APWZRJJASA-N 356.443 4.076 30 50 FIEA Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 636707 NLEPGQFWBLATKB-UHFFFAOYSA-N 358.349 4.416 30 50 FIEA COc1cc(Br)cc(/C=C2\Sc3ccccc3C2=O)c1O 13550393 UJLISSSMMVULER-AUWJEWJLSA-N 363.232 4.493 30 50 FIEA C=CCN(CC=C)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 706987 YFIMMPCBBDIRIM-QGZVFWFLSA-N 352.503 4.324 30 50 FIEA Cc1cc(C)c(N/C(=N/S(=O)(=O)c2ccccc2)C(F)(F)F)c(C)c1 4881205 LDJGFMZDGJGFPR-UHFFFAOYSA-N 370.396 4.373 30 50 FIEA C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 225525316 QFBQLXDSHZHVQU-SUCHYCSPSA-N 353.425 4.363 30 50 FIEA CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)C1(C)C 240333702 FETWSOLLTYUYNX-SQWLQELKSA-N 369.852 4.403 30 50 FIEA N#Cc1ccc(CN2CCC[C@H](c3nccn3Cc3ccccc3)C2)cc1 82099332 MPUPHSVCJNFWHL-QFIPXVFZSA-N 356.473 4.183 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 18244477 FECKSWVFXCBBCD-OAQYLSRUSA-N 361.445 4.245 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccccc2-c2ncc3n2CCCC3)N=N1 1875382057 PGBJQIUNAMRBOO-UHFFFAOYSA-N 361.449 4.181 30 50 FIEA CC(C)(Oc1ccc(Cl)cc1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 4906873 UKWGDMWXHJZTRE-UHFFFAOYSA-N 367.232 4.015 30 50 FIEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CC[C@@H](c3cccc(OC)c3OC)C1)C2 104637851 BYCQJWZHVGAFCR-SAHWJRBASA-N 369.505 4.402 30 50 FIEA CC(C)c1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)N2CCCC2)o1 227155902 GQQKYNIHXQCTMD-QGZVFWFLSA-N 360.408 4.197 30 50 FIEA CC1=C(C(=O)c2ccc(C(F)(F)F)cc2)N(C)[C@@H]2CCCC[C@H]2N1C 101361763 NDWWPBQNUOGMKH-HZPDHXFCSA-N 352.400 4.308 30 50 FIEA Cc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 820228 LATMZADBEXQADR-ZHACJKMWSA-N 363.198 4.408 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 19535499 NTUDSTFNSAYLBB-FQEVSTJZSA-N 369.436 4.279 30 50 FIEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]21C 253617654 DUSHUSLJJMDGTE-HDHZZVBESA-N 374.908 4.037 30 50 FIEA in-vitro O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1cccc(F)c1)c1ccccc1 9090147 OOSJFLCUJDXWFR-IBGZPJMESA-N 374.371 4.004 30 50 FIEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3Cc4ccccc4C3)o2)cc1 1857798715 ASUCREBXFNCBCE-OALUTQOASA-N 357.413 4.346 30 50 FIEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 100013106 PBMAXTSZSCARIG-MYXJTBLNSA-N 368.473 4.109 30 50 FIEA in-vitro CN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Cl)c2)C2=C1CCCC2=O 780221 JEPPAMVCEIZIQD-UHFFFAOYSA-N 357.837 4.089 30 50 FIEA CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccc(Cl)cc1Cl)C2(C#N)C#N 5727675 BAKIWBKSLCFYRG-HNNXBMFYSA-N 361.228 4.069 30 50 FIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)NC1CCCCC1 7781739 QQDPKBBFQJGRND-UHFFFAOYSA-N 354.454 4.075 30 50 FIEA Oc1c(Cl)cc(Cl)cc1[C@H](C#Cc1ccccc1)N1CCOCC1 19770718 QGHJGOPNFRNBTB-SFHVURJKSA-N 362.256 4.124 30 50 FIEA aggregator CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 257358313 STFBFHOUSNLMSV-CDUIBLELSA-N 374.521 4.057 30 50 FIEA Cc1ccc(N=C(O)[C@@H](C)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1F 328680595 CBKBXGQHLQQKIK-ZTFGCOKTSA-N 368.456 4.164 30 50 FIEA Cc1ccc2nc([C@@H]3CCCN(c4nc5c(cc4C#N)CCC5)C3)[nH]c2c1 408226684 OVDFUCXRXRFFGL-MRXNPFEDSA-N 357.461 4.011 30 50 FIEA CCOc1cc(C#N)c(NC(=O)Cc2ccc(Cl)cc2)cc1OCC 1075558 UVJKPAAEPRDFKB-UHFFFAOYSA-N 358.825 4.190 30 50 FIEA Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 17138962 CIULBBMAMMCPQW-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA Cc1sc(N=C(O)[C@H]2CN(C)CCO2)nc1-c1cccc2ccccc12 330263034 VZZMKVJPYXYFGR-QGZVFWFLSA-N 367.474 4.190 30 50 FIEA O/C(=N/Cc1cc(Cl)cc(Cl)c1OC(F)F)N1CCCCO1 330459271 ZKEWIOGJFBBCIA-UHFFFAOYSA-N 355.168 4.036 30 50 FIEA N#Cc1c(-c2ccc(CN3CCCC3)s2)cc(-c2ccco2)nc1N 67803193 WEIBORZDQQZNCD-UHFFFAOYSA-N 350.447 4.120 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2cc(Cl)cc(Cl)c2)cc1 1231743 MXILLRCGSZKZNF-UHFFFAOYSA-N 359.234 4.017 30 50 FIEA COc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1 19791109 IWVMDVXYTFEKCN-JJIBRWJFSA-N 359.473 4.000 30 50 FIEA C#CCCC1(CCC(=O)N(CCc2ccccc2)Cc2cccnc2)N=N1 2325892551 RNIXZWPREKBZGW-UHFFFAOYSA-N 360.461 4.009 30 50 FIEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)c3ccccc3C1=N2 19732163 YEKUNMFZVLRNNI-QUCCMNQESA-N 372.380 4.001 30 50 FIEA N#Cc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 953489 IZJIFNPVTVBEEM-UHFFFAOYSA-N 360.744 4.031 30 50 FIEA C[C@H]1CCc2c(sc(NC(=O)C(C(F)(F)F)C(F)(F)F)c2C#N)C1 2192616 RPWBLWTWWSHPRO-LURJTMIESA-N 370.318 4.424 30 50 FIEA COc1ccc(/C=C/C(=O)c2cc(Br)ccc2O)cc1OC 4252502 XMPJKJCKDAWUCH-ZZXKWVIFSA-N 363.207 4.068 30 50 FIEA O=C1[C@H](/N=C(/O)C2(c3cccnc3)CCCC2)CCCN1C1CCCCC1 329666739 RGVBVFZTDKJVJX-LJQANCHMSA-N 369.509 4.174 30 50 FIEA C=CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccccc1 1188224 UTYVRBZKVVMFID-HOOMGSECSA-N 350.443 4.485 30 50 FIEA O=C1/C(=C/c2ccc3c(c2)OCO3)CCC/C1=C\c1ccc2c(c1)OCO2 4579161 FSKXKUGPSKOGHB-GONBZBRSSA-N 362.381 4.364 30 50 FIEA C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(O)cc1 4670553 PPDXKGRUYGZLEO-YBFXNURJSA-N 354.391 4.260 30 50 FIEA N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 4728976 NIMNLLIEQSFNSB-YPAWHYETSA-N 365.436 4.067 30 50 FIEA C=CCN(C(=O)[C@H]1CCC(=O)C[C@H]1C)c1nc(-c2ccccc2)cs1 134357049 ZULRYGDMLLDSGD-PBHICJAKSA-N 354.475 4.334 30 50 FIEA C[C@@H]1CCCN(c2cc(C(O)=Nc3cnc(C(C)(C)C)nc3)ccn2)C1 329745421 RFJOUVFRYYHKQF-CQSZACIVSA-N 353.470 4.042 30 50 FIEA Cc1ccc(C/N=C(/O)C2CCN(c3nc4c(cc3C#N)CCC4)CC2)cc1 330002664 YZVISUOJOFMKTC-UHFFFAOYSA-N 374.488 4.124 30 50 FIEA Cc1nc([C@@H]2CCCOC2)sc1/C(O)=N/[C@H](C)c1nc2ccccc2[nH]1 330306061 RCKITEWOJNBMLT-CHWSQXEVSA-N 370.478 4.288 30 50 FIEA C/C(=N\O)c1ccc(OCCCCOc2ccc(/C(C)=N/O)cc2)cc1 4996318 MJJDFLFPCWXBJH-YHARCJFQSA-N 356.422 4.321 30 50 FIEA Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(Cl)cc2)o1 30851999 FBFKROSQNKSSNE-KTKRTIGZSA-N 356.809 4.450 30 50 FIEA C=CCOc1ccccc1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 584904388 AXUQLSJSDPQESN-FYYLOGMGSA-N 354.538 4.480 30 50 FIEA Cc1c(C#N)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1 637348 XYRROKQNAOUTEY-UHFFFAOYSA-N 368.234 4.223 30 50 FIEA N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1077018 MBGCVSQIIRJGLD-UHFFFAOYSA-N 369.453 4.493 30 50 FIEA COc1cccc(/C=N/n2c(-c3ccccc3C)nc3ccccc3c2=O)c1 2981315 UDSQTZLZMSBTRS-BUVRLJJBSA-N 369.424 4.263 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@H](C(=O)c2cccc3ccccc23)C1 72162885 FRAAGXRWQKSAMD-IBGZPJMESA-N 368.436 4.447 30 50 FIEA N#C[C@@H]1CCCN(Cc2cccc(OCCCCN3CCCCC3)c2)C1 215658867 MZKRJVJOWWYEEI-NRFANRHFSA-N 355.526 4.067 30 50 FIEA N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1C(F)(F)F 230183076 MPZNXSHYDWJYLV-GUYCJALGSA-N 368.305 4.168 30 50 FIEA COc1ccc2[nH]cc(C3=CCN(c4nc5c(cc4C#N)CCC5)CC3)c2c1 329252659 YSTKAANCNXRRFG-UHFFFAOYSA-N 370.456 4.226 30 50 FIEA Cc1ccc([C@H]2C[C@H](C)N(C(O)=Nc3c[nH]nc3-c3nccs3)C2)cc1 330190749 MPPAPXBAMHJVQA-ZFWWWQNUSA-N 367.478 4.265 30 50 FIEA Cc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 4566234 BCFABEYGNAQAEK-FQEVSTJZSA-N 371.392 4.222 30 50 FIEA CCOc1cc(/C=N/O)cc(Br)c1OCc1ccccc1F 16688706 JDWRKXJQUHPWNI-DJKKODMXSA-N 368.202 4.374 30 50 FIEA C=CCc1ccccc1OCCCCN1CCN(Cc2ccccc2)CC1 20500196 QTBZZZKZFIOPCH-UHFFFAOYSA-N 364.533 4.392 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 909348 OMBIPMBWCHLNFD-HXUWFJFHSA-N 355.434 4.042 30 50 FIEA Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc([N+](=O)[O-])ccc1Cl 6056263 HOKUCMSKHVCNNO-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA N#CC1(CCCSc2ncnc3sc4c(c23)CCC4)CCOCC1 225569471 YSWCIITWHPNXPM-UHFFFAOYSA-N 359.520 4.373 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 4728275 SZZHDXSZWNTLQC-SFHVURJKSA-N 359.853 4.260 30 50 FIEA CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4913932 PLXAXNGGZSCJSZ-HIFRSBDPSA-N 369.511 4.474 30 50 FIEA Cc1ccc2c(c1)S/C(=C\c1cn(CCC#N)nc1-c1ccncc1)C2=O 328593148 JQFGQYZBQMDIKZ-UNOMPAQXSA-N 372.453 4.497 30 50 FIEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3Cc4ccccc4C3)o2)cc1 1857798717 ASUCREBXFNCBCE-RTBURBONSA-N 357.413 4.346 30 50 FIEA Cc1c(NC(=O)c2cc(F)cc(C#N)c2)cccc1NC(=O)C1CCCC1 952965698 REJUUHPNLLAMMZ-UHFFFAOYSA-N 365.408 4.387 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6624005 LFSRETZWVUHKLB-FNGVLVINSA-N 356.506 4.245 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccc(Cl)c2)c1C#N 1199842 VXFRDYHYZJTYAC-UHFFFAOYSA-N 362.838 4.399 30 50 FIEA N#C[C@H](C(=O)C(=O)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 1613721 IOAXRPAAZOTZJD-NSHDSACASA-N 367.619 4.462 30 50 FIEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 253617655 DUSHUSLJJMDGTE-MIJMOPKOSA-N 374.908 4.037 30 50 FIEA in-vitro CCN(CC)C[C@H]1CCCN1C(=O)c1cccc(-c2ccc(C#N)cc2)c1 426712582 GHQFASFOPSFDBS-JOCHJYFZSA-N 361.489 4.172 30 50 FIEA Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1Br 4912545 DZARHRKIOZHVOE-LBPRGKRZSA-N 362.267 4.004 30 50 FIEA CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(C#N)cc1 151927242 XPAPIORZEFPYBS-UHFFFAOYSA-N 365.820 4.462 30 50 FIEA C#CCOC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 55466437 KYYNIZWVEKVLBZ-UHFFFAOYSA-N 355.393 4.455 30 50 FIEA CCCCCCCC/C=C\CCCCCCCC(=O)NC(CO)CO 118213582 LGDVTFHRZXBSJM-KTKRTIGZSA-N 355.563 4.493 30 50 FIEA O/C(=N/[C@@H]1CCc2ccccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 329359198 XKNJHCFLAJLKSC-MOPGFXCFSA-N 373.460 4.210 30 50 FIEA CCN1C2=CC(=O)C=CC2=S=C1/C=C1\C=Cc2cc(C)ccc2N1CC 334157893 GQVLLUTYHQQBNE-GHRIWEEISA-N 362.498 4.126 30 50 FIEA O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 1211385 VFZRDMUFNQTSBQ-PXAZEXFGSA-N 371.443 4.296 30 50 FIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)cc1 1473636 NAHGDZXZBNSQEI-DJKKODMXSA-N 362.817 4.291 30 50 FIEA CCCCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCCC(=O)NCCO 27646038 BXHPMUQFGGSDAK-PDFUHZMOSA-N 363.542 4.452 30 50 FIEA endogenous,in-man C=CCn1cc(-c2c(-c3ccccc3)ncn2CCC[C@H]2CCOC2)cn1 65370495 ICKRSXUZAZICQG-SFHVURJKSA-N 362.477 4.416 30 50 FIEA CCc1nnc([C@H]2CCCN(Cc3ccccc3C(C)(C)C#N)[C@H]2C)o1 952852773 SHUPRVQHFLBOEX-RDJZCZTQSA-N 352.482 4.201 30 50 FIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1 6819587 HHHLNLRZTGFDDE-PKOBYXMFSA-N 361.441 4.008 30 50 FIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253533711 AIBWHDYZKNWYQQ-PCEJQYDGSA-N 354.490 4.453 30 50 FIEA CC[C@](C)(C#N)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 496056363 UFEYBPWIVZWOPN-MRXNPFEDSA-N 353.369 4.414 30 50 FIEA Cc1ccc2[nH]c(CSc3nc(-c4ccncc4)ccc3C#N)nc2c1 664800 TVUITHQQXGTQGT-UHFFFAOYSA-N 357.442 4.492 30 50 FIEA CSc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1 244900236 ZYJXRYCSFXRJCR-UHFFFAOYSA-N 360.895 4.491 30 50 FIEA C=CCc1cccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=O)oc12 1191079 CJLJHJKURUDGRT-UHFFFAOYSA-N 369.804 4.436 30 50 FIEA C#CCSc1nc2c(c(=O)n1CC=C)C1(CCCC1)Cc1ccccc1-2 2095545 BOAPKFNIIOJHAK-UHFFFAOYSA-N 362.498 4.190 30 50 FIEA biogenic CN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 225531352 IHAXGCFWPKOERD-ICFOKQHNSA-N 353.425 4.317 30 50 FIEA CSc1ccc(Cl)c(C(=O)Nc2nc3ccc(C#N)cc3n2C)c1 225607483 BQRHTXQBGFEVGF-UHFFFAOYSA-N 356.838 4.073 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@@H]1c1cccs1 252481490 CMZNMHNXJCJBHN-YLJYHZDGSA-N 370.470 4.466 30 50 FIEA C=CCn1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 1176619 ADYGUJJOFNRFFF-UHFFFAOYSA-N 353.418 4.073 30 50 FIEA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1 4240872 WKKSCOKVTJQVPD-VQTJNVASSA-N 369.461 4.100 30 50 FIEA CCCSC1=N/C(=C\c2cccc(OC(C)=O)c2Cl)C(=O)S1 4907604 XWUKWTQWIOORNQ-FLIBITNWSA-N 355.868 4.379 30 50 FIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5562349 JHZXCXSMDSAGSN-KRWDZBQOSA-N 353.805 4.104 30 50 FIEA C#Cc1ccc(CN(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1 12076660 RBZITKHPGGMOAZ-QFIPXVFZSA-N 364.508 4.194 30 50 FIEA CCCCCCCCNC(=O)c1ccccc1I 101094196 WYWWSMXWHVYVST-UHFFFAOYSA-N 359.251 4.382 30 50 FIEA N#Cc1cc(F)ccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 170655714 WZXQDVCZQGSFAH-UHFFFAOYSA-N 374.297 4.154 30 50 FIEA Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1[C@H](C)C1CC1 329407020 AZHIINMIFWAHCT-OZOXKJRCSA-N 362.477 4.075 30 50 FIEA OC1=NCCN(Cc2cccc(N=C(O)[C@H]3C[C@H]3C3CCCCC3)c2)C1 329598152 CZGNQQRWYSOOMY-OALUTQOASA-N 355.482 4.263 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)nc2ccccc12 2325790015 DWESOZCFSAVEAH-QFIPXVFZSA-N 371.444 4.028 30 50 FIEA O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N/Nc2cccc(F)n2)c([N+](=O)[O-])c1 29763725 XKXUVHGBUPCOEW-KMCFQHSYSA-N 373.344 4.163 30 50 FIEA Cc1cc(O)nc2ccc(-c3ccc(C(=O)N4CCC[C@@H](C#N)C4)cc3)cc12 534587374 BSDWJNXBOSYQEC-INIZCTEOSA-N 371.440 4.292 30 50 FIEA O=C(C[n+]1ccc2ccccc2c1)c1ccc(NC(=O)c2ccccc2)cc1 1882115 IIRGJTSCHSFFDM-UHFFFAOYSA-O 367.428 4.263 30 50 FIEA Cc1ccc(-c2nnc(S)n2N=Cc2ccccc2Br)cc1 244794945 QWWYZQPGCNKZMM-UHFFFAOYSA-N 373.279 4.187 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 909352 OMBIPMBWCHLNFD-FQEVSTJZSA-N 355.434 4.042 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)C1 5952186 BUXWHIOIEROXSL-SNPRPXQTSA-N 372.490 4.130 30 50 FIEA O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)c3ccccc3C1=N2 100414621 NUQOCWFNLFYZNC-UYAOXDASSA-N 372.380 4.001 30 50 FIEA O=C(O)Cc1cc(Cl)c(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c1 4528936 LDDMAUPYCXVLKT-ZZXKWVIFSA-N 351.185 4.222 30 50 FIEA C=CCn1c([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S 5063604 GESDDPBNKYTCBA-CQSZACIVSA-N 364.902 4.297 30 50 FIEA CCOc1ccc(/C=N/n2c(-c3cccc(OCC)c3)n[nH]c2=S)cc1 5408547 DIUPFBUMNAKJGS-DEDYPNTBSA-N 368.462 4.287 30 50 FIEA C=CCn1c(CN(C)Cc2ccsc2)nnc1SCC(=C)Cl 11788091 UCFUUOQESRHBIM-UHFFFAOYSA-N 354.932 4.002 30 50 FIEA Cc1nc([C@H]2CCCN2C(O)=Nc2cnn(CCC(C)C)c2C(C)C)no1 330123242 AODCAPOJIUSLHD-MRXNPFEDSA-N 374.489 4.127 30 50 FIEA CC(=O)c1cc(C#N)c(SCC(=O)c2cc(C)c(C)cc2C)nc1C 2861144 OOUPNZOHJYMKCK-UHFFFAOYSA-N 352.459 4.365 30 50 FIEA COc1cc(/C=N/O)cc(Br)c1OCc1cccc(Cl)c1 100537661 YNYSTURMCZSFIZ-QGMBQPNBSA-N 370.630 4.498 30 50 FIEA COc1ccc([C@H]2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)cc1 170611158 HSQOTHZCJBRKNY-KRWDZBQOSA-N 373.374 4.082 30 50 FIEA CC1(C)C[C@H](/N=C(/O)N2CC[C@@H](n3cc(Cl)cn3)C2)c2ccccc21 329600464 KDCWYFIQUNIFJQ-PBHICJAKSA-N 358.873 4.120 30 50 FIEA Cn1cc(N=C(O)N2CC[C@H](C(F)(F)F)C2(C)C)c(-c2ccccc2)n1 329945850 JGYFYHCAEGBMDS-AWEZNQCLSA-N 366.387 4.295 30 50 FIEA Cc1cc(Br)c2oc(C(=O)N(C)c3cccc(C#N)n3)cc2c1 1875360459 ANKZBRNYYNSXAT-UHFFFAOYSA-N 370.206 4.047 30 50 FIEA CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 3901723 XKRMVENCJIRIED-HXUWFJFHSA-N 353.462 4.169 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 4692860 OTKQFRJGQFSXJG-IBGZPJMESA-N 371.452 4.381 30 50 FIEA CCc1cc(C#N)ccc1NC(=O)N(C)[C@@H](C)c1ccc(OC)cc1OC 95500478 NBVOAWRRCAMINF-AWEZNQCLSA-N 367.449 4.363 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(C)c1 252488840 JAFFBASWDNJIAJ-KNQAVFIVSA-N 364.441 4.323 30 50 FIEA C=CCn1cc(CN(Cc2ccncc2)Cc2ccc(F)cc2)c(C)n1 55255787 FTJQEZJPPXADBK-UHFFFAOYSA-N 350.441 4.114 30 50 FIEA C=CCc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1O 244678943 IMTKZZBHOQVUNU-UHFFFAOYSA-N 370.865 4.204 30 50 FIEA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCC[C@@H](C#N)C2)c1 299791520 GUZZHJUEQIBDIX-AWEZNQCLSA-N 354.837 4.391 30 50 FIEA CC(C)C#CC(=O)N1CC(C)(C)[C@@H]1c1nccn1-c1cccc(Cl)c1 952892280 NDGKXODKTIKUGF-SFHVURJKSA-N 355.869 4.095 30 50 FIEA C=C[C@H]1CCCCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 225605514 PGWDRSHXGDBLGD-ZDUSSCGKSA-N 350.249 4.084 30 50 FIEA C=CCc1cc(-c2c(-c3ccccc3)ncn2CCCO)cc(OC)c1O 65395301 DOTMWLXJYKOZBZ-UHFFFAOYSA-N 364.445 4.042 30 50 FIEA C[C@@H]1CCC[C@](C#N)(NC(=O)c2csc(Cc3ccccc3F)n2)C1 170630444 MMPBLXIKMXOCMF-YJYMSZOUSA-N 357.454 4.075 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)N=N1 2325892359 KWRMADGWAZTQCM-UHFFFAOYSA-N 364.405 4.135 30 50 FIEA Oc1ccc2ccccc2c1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 2702459 XUVSRRSGIKTMNX-HZHRSRAPSA-N 365.864 4.355 30 50 FIEA N#Cc1ccc(CN2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cc1 82099331 MPUPHSVCJNFWHL-JOCHJYFZSA-N 356.473 4.183 30 50 FIEA CN(C)c1ccc(/C=N\CCNc2ncc(C(F)(F)F)cc2Cl)cc1 95921810 DYXMTDVAVWQKGC-YVNNLAQVSA-N 370.806 4.351 30 50 FIEA C#CCCC1(CCC(=O)NCCc2nc(-c3ccccc3)c(C)s2)N=N1 2325892341 JVZZTQXTBKIJFK-UHFFFAOYSA-N 366.490 4.133 30 50 FIEA C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(OC)c(OC)c2)c1 1060884 JMYPDHQCFGVDDQ-UHFFFAOYSA-N 368.477 4.471 30 50 FIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccs2)C1=O 5007236 QHRUDAJKXSXCIC-KAMYIIQDSA-N 357.456 4.292 30 50 FIEA FC(F)(F)c1cccc(N2CCN(/C(S)=N\C3CCCC3)CC2)c1 13483166 QTSLOJNPZCUYHZ-UHFFFAOYSA-N 357.445 4.056 30 50 FIEA CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 792576 UXFSLKBMDBAYDW-SFHVURJKSA-N 359.491 4.088 30 50 FIEA Cc1cc(C)c(C#N)c(SC[C@@H](O)CSc2ccc(Cl)cc2)n1 1143882 UIKKQYCFJYNHMV-AWEZNQCLSA-N 364.923 4.469 30 50 FIEA C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccco1 2522892 SQRUDCJVBQMCSE-UHFFFAOYSA-N 368.462 4.072 30 50 FIEA Cc1ccc(C)c(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)c1 2978282 MQHPCODUBOUEFI-DHRITJCHSA-N 373.460 4.119 30 50 FIEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4913853 IPSJCTKSRSXKHW-HOCLYGCPSA-N 367.470 4.151 30 50 FIEA N=C(Cc1cccc2ccccc12)NOC(=O)c1ccc(Br)o1 13522107 WGVWVFIDLMYAKZ-UHFFFAOYSA-N 373.206 4.077 30 50 FIEA CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(F)cc23)CC(C)(C)CC1=O 100168061 DLMVHJJRQRZHCV-UHFFFAOYSA-N 370.468 4.370 30 50 FIEA C=CCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O 2389459 FSYGSBMXRNPJAD-UHFFFAOYSA-N 358.393 4.288 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1C 170618148 XYBGQJOSFVHKFD-SIKLNZKXSA-N 364.441 4.323 30 50 FIEA N#CCCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 2854076 HFFWUXMVZKHLDG-UHFFFAOYSA-N 354.413 4.171 30 50 FIEA Cc1c(Cc2ccccc2)c(-n2ccnc2)n2c(nc3ccccc32)c1C#N 638330 MSVDFOPCLPAWJJ-UHFFFAOYSA-N 363.424 4.444 30 50 FIEA O=C(Nc1ccc(OC(F)(F)F)cc1)C(C(F)(F)F)C(F)(F)F 3618405 YTDLCXQGMCBVPE-UHFFFAOYSA-N 355.156 4.265 30 50 FIEA C=CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 4660993 CKEPLAWHDARRHO-XNTDXEJSSA-N 372.427 4.242 30 50 FIEA COc1ccc2c(C)c(C(=O)N3CCC(C#N)(c4ccccc4)CC3)oc2c1 91665019 WYXHWDTUBMMBON-UHFFFAOYSA-N 374.440 4.447 30 50 FIEA O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 4913883 OVZMSZDGUGXJIL-WCQYABFASA-N 357.862 4.406 30 50 FIEA COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1 5158937 ORXQGKIUCDPEAJ-YRNVUSSQSA-N 354.402 4.217 30 50 FIEA endogenous,in-man N#CC1(C2CCC2)CCN(Cc2c(Br)noc2C2CC2)CC1 2325802530 MLMROLLAYGGBTM-UHFFFAOYSA-N 364.287 4.220 30 50 FIEA CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccco1 3618155 VLGVLPSVBLIZSC-UHFFFAOYSA-N 371.433 4.230 30 50 FIEA COc1ccccc1-c1cc[n+](CC(=O)c2cccc3ccccc23)cn1 6249166 JPVGYQLWCNFWAK-UHFFFAOYSA-N 355.417 4.081 30 50 FIEA Cc1cc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c(C#N)cc1N(C)C 436495547 HPLAZEVUKCMATN-GOSISDBHSA-N 362.477 4.029 30 50 FIEA CC1(C)OB(c2ccc(C(F)(F)C(F)(F)F)cc2Cl)OC1(C)C 2325904079 VXRVWNJHPQPMTQ-UHFFFAOYSA-N 356.527 4.293 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(N(C)C)cc1 170615268 RZKYMRPHXNRLSH-AZUAARDMSA-N 369.486 4.133 30 50 FIEA N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1C(F)(F)F 129357519 MPZNXSHYDWJYLV-CXAGYDPISA-N 368.305 4.168 30 50 FIEA C=CCN1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 4385967 ZTOXSSQNMSYMIJ-IBGZPJMESA-N 359.473 4.171 30 50 FIEA CC(C)c1noc([C@H](/N=C(/O)[C@@H]2C[C@H]2c2ccco2)C2CCOCC2)n1 328615128 XSDNGPJCHULJNH-IIAWOOMASA-N 359.426 4.014 30 50 FIEA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 77536690 GXXZOASKBWXGQT-LJQANCHMSA-N 370.456 4.277 30 50 FIEA Cc1cc2cc(CNC(=O)CC3=C(c4ccccc4)CCC3=O)ccc2[nH]1 827801469 ILGJZMNBDKPUJO-UHFFFAOYSA-N 358.441 4.299 30 50 FIEA N#Cc1c(N2CCC(c3ccccc3CN)CC2)cccc1-n1cccc1 2325866830 BFAYZPWNRNMLQA-UHFFFAOYSA-N 356.473 4.192 30 50 FIEA C[C@H](c1cccc(C#N)c1)N1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 2325744093 LRWPZVDNECFXPL-MRXNPFEDSA-N 362.452 4.057 30 50 FIEA O=C(/C=C/Nc1ccc(I)cc1)c1cccs1 2856754 XQANFSGUQWFVFH-BQYQJAHWSA-N 355.200 4.161 30 50 FIEA CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)[C@@H]1C1CCCCC1 3952070 VQNLJXWZGVRLBA-MRXNPFEDSA-N 351.805 4.176 30 50 FIEA in-vitro CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccn1C 9042268 INPMKGYYZKWCDW-NRFANRHFSA-N 363.461 4.188 30 50 FIEA biogenic C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 281848340 RSRAMXFYNXZJGH-JYJNAYRXSA-N 365.543 4.259 30 50 FIEA O=C(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)c1ccc(-c2ccccc2)cc1 328579890 KLAHNGDEOVZNBZ-LSDHQDQOSA-N 357.458 4.060 30 50 FIEA O=C(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)c1ccc(-c2ccccc2)cc1 328579891 KLAHNGDEOVZNBZ-XDOYNYLZSA-N 357.458 4.060 30 50 FIEA C#CCCC1(CCC(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)N=N1 1875382382 ZIBRBHMPSPKYNI-UHFFFAOYSA-N 361.449 4.181 30 50 FIEA C=CCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 2872474 ORIKZFUFIZMMOA-UHFFFAOYSA-N 357.435 4.066 30 50 FIEA C=C(C)CN(CC)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 12701377 LNBUGBSHIIICAN-JOCHJYFZSA-N 374.569 4.089 30 50 FIEA CCOC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 71769405 ZFKFZRFKOJXOTQ-CTNGQTDRSA-N 352.386 4.224 30 50 FIEA O/C(Cc1ccnc(O)c1Br)=N/CCC1=CCCCCC1 330135826 NABHQODMXFQKBB-UHFFFAOYSA-N 353.260 4.329 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 2055350 PCNDHAIVLABLEC-IBGZPJMESA-N 369.436 4.159 30 50 FIEA O=C1C[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819952 OXZUXFYXLROYHI-XJKSGUPXSA-N 367.832 4.050 30 50 FIEA C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]21C 253617061 RSBPOYAJCVXJON-UZZLAKBBSA-N 374.521 4.009 30 50 FIEA Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(OC(F)F)cc1 2597961 DOARNKQPXWNDTQ-UHFFFAOYSA-N 367.322 4.117 30 50 FIEA N#C[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 5714011 HWRWLUYLFXQSSP-AWEZNQCLSA-N 366.726 4.174 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccsc1 15446564 JGRLZEOGHJGDJL-IEBWSBKVSA-N 356.443 4.076 30 50 FIEA CCSc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 299800668 UYHBVUVPWJEGAL-UHFFFAOYSA-N 366.490 4.024 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 71589685 NJYNPTBRNXITEN-INIZCTEOSA-N 354.400 4.321 30 50 FIEA C#CCCC1(CCC(=O)N[C@H](C)c2cn(C)c3cc(Cl)ccc23)N=N1 1875368791 PSYSTGLIOOPZAR-CYBMUJFWSA-N 356.857 4.365 30 50 FIEA N#Cc1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1C#N 2895944 PQYJOIFKPCAJBZ-UHFFFAOYSA-N 352.349 4.288 30 50 FIEA C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 5167230 CKFBRGLGTWAVLG-GOMYTPFNSA-N 370.489 4.185 30 50 FIEA in-man C=CCNC(=S)NNC(=S)N[C@@H](C)CCCCCCCCCCC 100731877 XPDYXQKVBYSDFJ-INIZCTEOSA-N 372.648 4.325 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245239251 GVBHYHFYTCVSPY-CGDAUVCTSA-N 358.522 4.325 30 50 FIEA O=[N+]([O-])c1ccc(NN=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 4273430 PCWAZGSDAQPGRU-UHFFFAOYSA-N 360.329 4.348 30 50 FIEA biogenic CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4428527 VPGRYOFKCNULNK-ACXQXYJUSA-N 372.505 4.267 30 50 FIEA endogenous,world N#Cc1cnc(Cl)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 170609108 NZVCELLSSXBCKP-UHFFFAOYSA-N 369.833 4.074 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1OC 170615221 ABANWPRGFSNBQL-UGKGYDQZSA-N 364.441 4.323 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(CCN3CCCCC3)cc2)N=N1 2325894690 HYYQRGDDXRSDPG-UHFFFAOYSA-N 352.482 4.009 30 50 FIEA CC(C)Cc1nc(C#N)c(NC[C@H](c2cccs2)N2CCCCC2)o1 28251130 JGCZIVFQYJFTMH-MRXNPFEDSA-N 358.511 4.445 30 50 FIEA N#Cc1ccc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)cn1 95519308 VYKAMPLHBYFGKF-UHFFFAOYSA-N 367.452 4.176 30 50 FIEA CC(C)n1cc(Br)cc1C(=O)O[C@H](C#N)C1CCCCC1 170592028 BQJHEYNEMWMVHZ-OAHLLOKOSA-N 353.260 4.461 30 50 FIEA COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccc(C(C)(C)C)cc1 15745607 RCZZRJYHQHWEQV-PYCFMQQDSA-N 353.418 4.336 30 50 FIEA CCOc1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 1253508 FZZHFFZDZXZRKW-YBFXNURJSA-N 358.854 4.168 30 50 FIEA C[C@@H]1CCc2sc(NC(=O)c3ccc(Br)o3)c(C#N)c2C1 758768 OWQFUCMFTFGVKR-MRVPVSSYSA-N 365.252 4.352 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C#N 994520 UUVBPUBIBLYNNT-CABCVRRESA-N 368.458 4.236 30 50 FIEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1306061 GAOINZYBICGWGN-FRKPEAEDSA-N 355.275 4.484 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 2796125 BUIKTQMNMSUBPR-FQEVSTJZSA-N 353.462 4.306 30 50 FIEA COc1ccc(N/C=C(/C(=O)c2ccc(Cl)cc2Cl)[N+](=O)[O-])cc1 2820959 MYIFOZUJECYZMS-DHDCSXOGSA-N 367.188 4.415 30 50 FIEA O=C1C[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6819470 IFAPKWWCPZTYGB-PBHICJAKSA-N 369.823 4.483 30 50 FIEA CCCCCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O 8424568 SOWQHJAJLZKQSE-UHFFFAOYSA-N 372.509 4.423 30 50 FIEA CCOC(=O)CSc1nc(C2CC2)cc(-c2ccc(OC)cc2)c1C#N 753990 KDEFKVVGXQBQHH-UHFFFAOYSA-N 368.458 4.161 30 50 FIEA COc1cc(/C=N\O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4996303 KSFLLRVHKXQDNF-UWVJOHFNSA-N 356.256 4.223 30 50 FIEA C[C@@]1(/C(O)=N/Cc2nnc(C3CC3)n2C2CC2)CCc2ccccc2C1 329882430 PYJFVIMQRMYNOL-OAQYLSRUSA-N 350.466 4.142 30 50 FIEA CCOC(=O)c1ccc(NC2=CC(=O)C[C@@H](c3ccc(OC)cc3)C2)cc1 1210612 FZZGZRUTJUNJHR-KRWDZBQOSA-N 365.429 4.314 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 625735 JXYMVQBVUFAUOC-HNNXBMFYSA-N 366.244 4.134 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 2796126 BUIKTQMNMSUBPR-HXUWFJFHSA-N 353.462 4.306 30 50 FIEA Clc1nnc(N/N=C/c2cccc(Br)c2)c2ccccc12 4857682 IRZCFUZCERJIST-GIJQJNRQSA-N 361.630 4.492 30 50 FIEA O/C(CN1CCc2ccccc2C1)=N\c1nnc(C2CCCCC2)s1 20019009 JANRZFNAYPMXJW-UHFFFAOYSA-N 356.495 4.232 30 50 FIEA Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccc(F)cc2F)o1 30851942 QMFIFHJHHJEDEU-SREVYHEPSA-N 358.344 4.075 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@H](C)Cc2cnccn2)cc1Cl 55073264 RYCJTKXKYUQHPJ-GFCCVEGCSA-N 352.265 4.069 30 50 FIEA C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)/C=C/c1ccc(F)cc1 253432491 KPYJKMTXKMZAPW-SRXBQZRASA-N 368.433 4.237 30 50 FIEA CC(C)c1ccc([C@@H]2CCCCN2/C(O)=N/[C@H]2CCn3ccnc3C2)cc1 330279075 QMEGYZZAGWHXJF-PMACEKPBSA-N 366.509 4.463 30 50 FIEA OC(=Nc1cnn(CC(F)F)c1)Nc1ncc(C2CCCCC2)s1 329349773 WOZXKHTVWFEACV-UHFFFAOYSA-N 355.414 4.310 30 50 FIEA Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1 39275971 IXQFIPAUGYSVEN-UHFFFAOYSA-N 351.427 4.153 30 50 FIEA N#Cc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)c1 232314166 SHKKNWKZFKXUNC-UHFFFAOYSA-N 363.225 4.246 30 50 FIEA COc1ccc(/C=C/C(=O)c2ccnn2C)cc1COc1ccc(F)cc1 6402080 AQEQGDRUKWBXKO-YCRREMRBSA-N 366.392 4.043 30 50 FIEA COc1ccc2ccccc2c1/C=N/n1c(-c2ccco2)n[nH]c1=S 1478517 FSOWESJRUMDVEP-YBFXNURJSA-N 350.403 4.245 30 50 FIEA O=C(C[n+]1csc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 2870944 VCEXUNHCHZAMHP-UHFFFAOYSA-N 373.501 4.418 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1F)c1ccccc1 4312042 DKBXFDQZINNKNM-LJQANCHMSA-N 374.371 4.004 30 50 FIEA Cc1n[nH]c(=S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 6056452 OMUXJOYQDRNEOP-VXLYETTFSA-N 358.854 4.364 30 50 FIEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2c(F)cccc2F)C1 1857737738 AMBOVCRJXYBHKX-MRXNPFEDSA-N 372.415 4.136 30 50 FIEA Cc1cccc(C)c1NC(=O)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 1613748 CSFWEHJLMRTVCG-GFCCVEGCSA-N 361.228 4.425 30 50 FIEA COc1ccccc1/C=C/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 19773191 QDJVJUVBFIVVQW-KUZNRIHWSA-N 369.896 4.165 30 50 FIEA N#CCc1ccc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1 183279121 WJPMFTFJTVBBDL-OAHLLOKOSA-N 369.293 4.456 30 50 FIEA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCC[C@H](C#N)C2)c1 299791524 GUZZHJUEQIBDIX-CQSZACIVSA-N 354.837 4.391 30 50 FIEA CCCCc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 8021913 OYHFXFGPNJYJQZ-UHFFFAOYSA-N 359.433 4.042 30 50 FIEA C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1O 4567516 ZITRVRHEEJBNHL-HKOYGPOVSA-N 359.473 4.087 30 50 FIEA COc1ccc(N(C)/C(S)=N\c2ccc3nc(C)c(C)nc3c2)cc1 8682768 BZIJYBSQJQJXPO-UHFFFAOYSA-N 352.463 4.309 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1cccc(Cl)c1Cl 5593925 YTINGRSICPDNLG-ZDUSSCGKSA-N 351.258 4.455 30 50 FIEA CCN1C[C@@H](c2ccccc2)NC1=NCc1ccc2cc(OC)ccc2c1 2325864613 UALWMCYZLDXMPA-QFIPXVFZSA-N 359.473 4.371 30 50 FIEA N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccccc1Br 1217597 AYFSADOTPDVLEU-SFHVURJKSA-N 355.235 4.104 30 50 FIEA C=CCn1c(S[C@H](C)COC)nc2cc(-c3ccccc3)sc2c1=O 463250746 OQQXEEGATYYWNO-CYBMUJFWSA-N 372.515 4.438 30 50 FIEA Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)n1 154749764 NAMSRAUAIPGKOQ-UHFFFAOYSA-N 350.809 4.267 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(N(C)C)cc1 170615269 RZKYMRPHXNRLSH-ICSRJNTNSA-N 369.486 4.133 30 50 FIEA C=C1C[C@H](O)[C@H](/C=C/[C@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)O 27640060 VKEJXDXJUFQESA-OKGRSGSSSA-N 350.499 4.238 30 50 FIEA in-vitro N=C(N/N=C/c1ccc2ccccc2c1)N/N=C/c1ccc2ccccc2c1 5740180 ZPEGYOWCEYFZHH-RYQLWAFASA-N 365.440 4.475 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 19771391 BHABEHSKTWVWNB-SFHVURJKSA-N 371.502 4.186 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(C(C)(C)C)cc1 4179317 SWLRHSGCJAMKIK-GOSISDBHSA-N 350.466 4.234 30 50 FIEA Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1C#N 664720 HTDFWDZWUYIBKB-UHFFFAOYSA-N 360.339 4.382 30 50 FIEA Cc1ccc(CN2CCN(/N=C\c3cccc(Cl)c3Cl)CC2)cc1 20146377 GTBSGUCDHQARNC-XKZIYDEJSA-N 362.304 4.454 30 50 FIEA Cc1noc(C)c1CCC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 170652079 ITFXAIQHZUSSSA-UHFFFAOYSA-N 362.385 4.494 30 50 FIEA C=CCn1c(SCCOc2ccccc2)nc2sc(C)c(C)c2c1=O 1895411 AOIDPZHAKPTECK-UHFFFAOYSA-N 372.515 4.432 30 50 FIEA C=CCn1c(SCc2c(C)noc2C)nc2sc(C)c(C)c2c1=O 2861518 DNFRNNNXKMINGF-UHFFFAOYSA-N 361.492 4.158 30 50 FIEA Oc1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 19771357 HGXMFCWXOYAMJZ-NCELDCMTSA-N 371.484 4.133 30 50 FIEA COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 5061579 NPPWBGOAHASNSX-NYYWCZLTSA-N 364.182 4.196 30 50 FIEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2)cc1 5450660 BNBPUDDXNNDPMX-HYARGMPZSA-N 357.442 4.178 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCCC[C@H]2CCn2ccnc2)o1 77423018 LZGKUYFDGLFOQE-IBGZPJMESA-N 360.461 4.460 30 50 FIEA Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)nn1-c1cccc(F)c1 160066759 HFZJVOBZQMZSCY-UHFFFAOYSA-N 354.772 4.097 30 50 FIEA C#CCCC1(CCC(=O)Nc2nc(COc3ccccc3)cs2)N=N1 2325892121 ADYWZOIHQMYJRD-UHFFFAOYSA-N 354.435 4.016 30 50 FIEA COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1OC 2176439 NJKFXXJNMHKTQM-UHFFFAOYSA-N 359.381 4.294 30 50 FIEA biogenic CC(C)(C)OC(=O)N1CCC(COc2ccc(Cl)cc2C#N)CC1 199726218 VAWFSNOONDWPIO-UHFFFAOYSA-N 350.846 4.238 30 50 FIEA CC(C)c1noc([C@H](/N=C(/O)[C@@H]2C[C@@H]2c2ccco2)C2CCOCC2)n1 328615129 XSDNGPJCHULJNH-SQWLQELKSA-N 359.426 4.014 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 2978001 LBDCWCIWBUGDLC-SCOAYWHSSA-N 364.430 4.254 30 50 FIEA C(=N/Nc1ccc2nn(-c3ccccc3)nc2c1)\c1c[nH]c2ccccc12 4953542 DHQKLIVPTDPRGL-OEAKJJBVSA-N 352.401 4.348 30 50 FIEA O=C(C1=C(Cc2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 1226292 AYKJYFHMPHESNI-UHFFFAOYSA-N 352.389 4.488 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\NC(C)(C)C)c2ccc(Cl)cc2)cc1 4991375 CUHCBJKDJNCTHY-UHFFFAOYSA-N 364.898 4.172 30 50 FIEA O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1Cl 13590594 VRUGWFRVJHESGT-AWEZNQCLSA-N 351.258 4.455 30 50 FIEA N#Cc1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 948537 BKTZYQNNTXVHTH-UHFFFAOYSA-N 353.307 4.046 30 50 FIEA CCc1c(C)sc(NC(=O)c2cc(-c3ccc(O)cc3)on2)c1C#N 3907805 VNZYJCFZEDJXBR-UHFFFAOYSA-N 353.403 4.104 30 50 FIEA Cc1ccc2c(c1)/C(=N/OS(=O)(=O)c1ccc(Cl)cc1)CCS2 5815112 XDBZWBMODWJYFA-OBGWFSINSA-N 367.879 4.254 30 50 FIEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)c3ccccc3C1=N2 19732165 YEKUNMFZVLRNNI-ICSRJNTNSA-N 372.380 4.001 30 50 FIEA Oc1c(Cl)cc(Cl)cc1[C@@H](C#Cc1ccccc1)N1CCOCC1 19770717 QGHJGOPNFRNBTB-GOSISDBHSA-N 362.256 4.124 30 50 FIEA aggregator COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@H](C#N)C2)CCOCC1 952874969 UHPFCDSXJQQBJN-RDJZCZTQSA-N 362.901 4.069 30 50 FIEA C#CCN(Cc1nc(-c2ccc(OC)cc2OC)oc1C)C1CCCCC1 20255185 NXZFNSGLAOJBNC-UHFFFAOYSA-N 368.477 4.435 30 50 FIEA Cc1noc([C@@H]2CCN([C@@H](C)C(O)=Nc3ccc(Cl)c(Cl)c3)C2)n1 329022085 IGBXQWJBNZXFPN-GXSJLCMTSA-N 369.252 4.151 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1OC 170615223 ABANWPRGFSNBQL-KNQAVFIVSA-N 364.441 4.323 30 50 FIEA O/C(=N/[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)[C@H]1CCOC1 329619923 FHDFIIQFJBUANS-ZUZCIYMTSA-N 363.255 4.301 30 50 FIEA Cc1csc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1Cl 331109012 SEBPBKROJUHGHC-UHFFFAOYSA-N 360.866 4.265 30 50 FIEA CC1(C)C(O)=Nc2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)ccc21 328901273 YWPFRHVHFZIFPF-YLJYHZDGSA-N 373.456 4.478 30 50 FIEA C=CCOc1cccc(C(=O)N(C)[C@H](C)c2ccc(OC)cc2OC)c1 820494563 NGZFGZMKGUHPNZ-OAHLLOKOSA-N 355.434 4.102 30 50 FIEA C=CCn1c(SCC(C)=O)nc2scc(-c3cccs3)c2c1=O 952468 ITPOPHLSBRMGON-UHFFFAOYSA-N 362.501 4.054 30 50 FIEA N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2 2995946 ODBXUBSKIIGWJL-UHFFFAOYSA-N 351.225 4.106 30 50 FIEA CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cccc(C(=O)O)c1 4949945 QCTHQSRFQADWJO-JSDDMWTDSA-N 370.405 4.148 30 50 FIEA CC(C)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4986468 SGIUKYYGBYUOGC-UHFFFAOYSA-N 371.289 4.127 30 50 FIEA O/C(=N/Cc1cnc(Br)s1)[C@@H]1Cc2cc(Cl)ccc2O1 328591470 FMWMLDGMTQBCML-NSHDSACASA-N 373.659 4.019 30 50 FIEA C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5562342 JHZXCXSMDSAGSN-QGZVFWFLSA-N 353.805 4.104 30 50 FIEA Fc1cccc(Cl)c1C=NN1CCN(Cc2ccccc2Cl)CC1 252320601 CWFNGNVLNADUPX-UHFFFAOYSA-N 366.267 4.284 30 50 FIEA C[C@H](/C(O)=N/C[C@H]1CCCO1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 329363308 JDFHJYHWWVAULR-RHSMWYFYSA-N 373.472 4.010 30 50 FIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(C)cc1 846453 GYCHJUWVOHWZAV-QGZVFWFLSA-N 364.426 4.094 30 50 FIEA C=CCN(CC=C)C(=S)NC(=O)c1sc2ccccc2c1Cl 3106292 KGVYRVWLFWHEGC-UHFFFAOYSA-N 350.896 4.243 30 50 FIEA COc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1 5859401 YVTCZWICTGEAQU-UDWIEESQSA-N 368.462 4.286 30 50 FIEA Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)n1 426490305 MLBJOVIEXLLOFU-UWVAXJGDSA-N 357.457 4.179 30 50 FIEA C=CCN1C[C@@H](C)N(C(=O)c2cccc(-c3cc(C)nc(C)c3)c2)C[C@H]1C 426498455 HLXAZBGYODNLTQ-RTBURBONSA-N 363.505 4.086 30 50 FIEA N#Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 914484653 KYXGSPNGHKOANH-UHFFFAOYSA-N 353.381 4.296 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)N=N1 952883450 XLFDRXJGRMOVIX-UHFFFAOYSA-N 352.360 4.066 30 50 FIEA N#Cc1cccc(-c2nccn2[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1857736778 VMQFOIBLWYMERC-INIZCTEOSA-N 362.820 4.053 30 50 FIEA C[C@@H](c1cccc(C#N)c1)N1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 2325744092 LRWPZVDNECFXPL-INIZCTEOSA-N 362.452 4.057 30 50 FIEA Cc1ccccc1/N=C(\O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1 4978921 OTKRCIKLAJKMEZ-UHFFFAOYSA-N 354.797 4.260 30 50 FIEA C=CCNC(=S)Nc1cccc([C@H](C)OC(=O)NC2CCCCC2)c1 5570325 HTWLLFPHUBKBLG-AWEZNQCLSA-N 361.511 4.279 30 50 FIEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 55190319 QRJLQDRKHPOTRV-UAGSDZEYSA-N 369.468 4.454 30 50 FIEA Cc1ccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c2c1 169746294 BUUCDWYNFVFACT-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA in-vitro N#Cc1cc2c(nc1SC[C@@H](O)CNc1ccc(Cl)cc1)CCCC2 911450 HOPLHGVZHXVVKK-KRWDZBQOSA-N 373.909 4.051 30 50 FIEA CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1 970406 XQDXIHYKAGHZRX-IBGZPJMESA-N 366.457 4.380 30 50 FIEA in-vitro COc1ccccc1CN(Cc1ccc(C#CC(C)(C)O)s1)C1CC1 55120096 QQWWOUCFAKWKKT-UHFFFAOYSA-N 355.503 4.044 30 50 FIEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)CCc1ccccc1 27639138 PBMAXTSZSCARIG-RNCKHNGXSA-N 368.473 4.109 30 50 FIEA in-vitro Cc1cc(O)nc2ccc(-c3ccc(C(=O)N4CCC[C@H](C#N)C4)cc3)cc12 534587375 BSDWJNXBOSYQEC-MRXNPFEDSA-N 371.440 4.292 30 50 FIEA C=C(C)COc1cccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1 299758959 LZFQUDDNLIFNBB-UHFFFAOYSA-N 366.465 4.277 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccccc1-2 2882527 YREKFZRIGLNMSO-KRWDZBQOSA-N 364.430 4.025 30 50 FIEA Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccc2)n1 6796779 NSVROLXAOFQXGG-SRZZPIQSSA-N 372.331 4.441 30 50 FIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 6819806 CDVYWMXSISIVRG-UKRRQHHQSA-N 367.470 4.151 30 50 FIEA Cc1nccnc1-c1cccc(-c2ccn(Cc3cccc(C#N)c3)n2)c1 19225533 CQEGSNXKCFTVCD-UHFFFAOYSA-N 351.413 4.236 30 50 FIEA CCn1cc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cc1C#N 72409583 AQVHJCIBTHUSEK-RJGXRXQPSA-N 363.505 4.032 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 257356569 JAZBMNIJZWDVQJ-NMLXEEBVSA-N 372.505 4.265 30 50 FIEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(O)=Nc1ccccc1O 328602524 BYFFNJITQNJHFR-YWZLYKJASA-N 363.417 4.252 30 50 FIEA COc1ccc(C2CC(=O)C(=CNc3ccccc3C)C(=O)C2)cc1OC 1218568 GMGBXJKXKREZDL-UHFFFAOYSA-N 365.429 4.024 30 50 FIEA CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 13763987 LGLFFNDHMLKUMI-UHFFFAOYSA-N 372.536 4.460 30 50 FIEA fda C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(O)cc1 19593991 VKGRJKMOJVGVHB-HKOYGPOVSA-N 359.473 4.087 30 50 FIEA C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(C#CC(C)(C)O)cc1 55036729 YALQBUCLAHYPNP-UHFFFAOYSA-N 353.487 4.007 30 50 FIEA S=c1[nH]nc(NN=Cc2ccccc2OCc2ccccc2Cl)[nH]1 253470688 OVORHOAHSLROKJ-UHFFFAOYSA-N 359.842 4.146 30 50 FIEA C=CCOc1cccc(C(=O)N(C)[C@@H](C)c2ccc(OC)cc2OC)c1 820494549 NGZFGZMKGUHPNZ-HNNXBMFYSA-N 355.434 4.102 30 50 FIEA Cn1c([C@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)nc2ccccc21 222012599 ZZXWQHPANFEOSE-WSACYYNKSA-N 367.880 4.327 30 50 FIEA OC(=Nc1nc2c(s1)CCCCCC2)c1coc(C2CCOCC2)n1 328788020 JUXNGCYEUOMGCN-UHFFFAOYSA-N 361.467 4.320 30 50 FIEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CC[C@H](c3cccc(OC)c3OC)C1)C2 102333022 BYCQJWZHVGAFCR-HKARXFIJSA-N 369.505 4.402 30 50 FIEA C[C@H]1CC/C(=C/NCCCCCCN/C=C2/CC[C@@H](C)CC2=O)C(=O)C1 22588762 JVPZUSSZOFCTNT-VRYRWIMXSA-N 360.542 4.272 30 50 FIEA Cc1cccc(NC(=O)CCC2CCN(C(=O)C#Cc3ccccc3)CC2)c1 11843051 FWZDXKBPZLJQDM-UHFFFAOYSA-N 374.484 4.004 30 50 FIEA C=CCC1(OC)CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1 95504779 OWXZGURPRXLPNY-UHFFFAOYSA-N 358.360 4.174 30 50 FIEA CCc1nc2ccccc2n1C1CCN(c2ncc(C#N)cc2Cl)CC1 180028754 HMUXUEKLSTTYMS-UHFFFAOYSA-N 365.868 4.360 30 50 FIEA O=[N+]([O-])c1ccccc1/C=C\C=N\n1c(S)nnc1C1CCCCC1 6192396 BKFGYZNDBKPIBJ-VDUTWIJRSA-N 357.439 4.070 30 50 FIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(F)cc1 7720285 FJQRCDQQYPWRGF-UHFFFAOYSA-N 351.381 4.013 30 50 FIEA CC(C)c1cc(NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 242750727 ZXWBDHSXIJNYTI-UHFFFAOYSA-N 361.291 4.456 30 50 FIEA Cc1cc2ncc(/C(O)=N/[C@H]3CCCc4sc(Cl)cc43)c(C)n2n1 329289017 QGEYNDNJLLDZPV-ZDUSSCGKSA-N 360.870 4.443 30 50 FIEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 2325806747 DRAPTHZUARUQTH-HTAPYJJXSA-N 359.510 4.145 30 50 FIEA N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 637513 YVKUCXPWFSNDQB-QGZVFWFLSA-N 353.219 4.469 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 2073912 ZLELVUVTYQQVLV-HNNXBMFYSA-N 354.460 4.381 30 50 FIEA CC(C)C[C@@H](/N=C(\O)OCC1c2ccccc2-c2ccccc21)C(=O)O 82067502 CBPJQFCAFFNICX-LJQANCHMSA-N 353.418 4.229 30 50 FIEA biogenic,in-vitro CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1cccs1 225847882 NXNBJGVESLNGNH-FXAWDEMLSA-N 369.486 4.133 30 50 FIEA COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@@H](C#N)C2)CCOCC1 952874970 UHPFCDSXJQQBJN-WBVHZDCISA-N 362.901 4.069 30 50 FIEA N#Cc1c[nH]c(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)c1 215065788 YJKRALJINQKIGA-UHFFFAOYSA-N 360.461 4.385 30 50 FIEA CCOC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1-c1ccccc1 20365478 QNYQVKDINXGFAU-UHFFFAOYSA-N 371.440 4.433 30 50 FIEA O/C(C[C@@H]1CCCC[C@H]1O)=N/C[C@H]1CCCCN(Cc2ccccc2)C1 330263378 WKQSWGVYBWSDIJ-QHAWAJNXSA-N 358.526 4.186 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccccc1-2 2073803 GOKVVTHKWZIPPU-KRWDZBQOSA-N 363.446 4.023 30 50 FIEA C=C(C)COc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 9877873 UZPFIPBSHGMOKJ-LJQANCHMSA-N 367.445 4.452 30 50 FIEA O=C1/C(=N\Nc2ccc3ccc4cccnc4c3n2)C=Cc2ccccc21 100436005 URPCJHZCRJJDRE-BWAHOGKJSA-N 350.381 4.461 30 50 FIEA C=CCOc1cccc(C(=O)N2CCc3onc(-c4ccccc4)c3C2)c1 19745891 VLAYGDBVVGHBKJ-UHFFFAOYSA-N 360.413 4.105 30 50 FIEA C=CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1C(=O)Nc2cc(C)cc(C)c21 55090121 IKNLYUNWGJGJQT-GOSISDBHSA-N 366.436 4.083 30 50 FIEA C=CCn1cc(CN(Cc2ccncc2)Cc2ccc(C)s2)c(C)n1 55403471 NOBHYXJGCJDNAQ-UHFFFAOYSA-N 352.507 4.345 30 50 FIEA O=S(=O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 100043373 VTBVTQYWSNXXNY-UHFFFAOYSA-N 360.197 4.159 30 50 FIEA COc1cccc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)c1 5932592 YJKVTWKNXTYGQX-AZFHKVEGSA-N 370.865 4.356 30 50 FIEA N#CCCOC1(C#CC#CC2(OCCC#N)CCCCC2)CCCCC1 2869341 FLCZOGMKGIROKI-UHFFFAOYSA-N 352.478 4.260 30 50 FIEA Cc1ccc(N2CCC[C@]3(CCCN3Cc3ccc(C#N)cc3)C2=O)cc1 2100477543 ARSLADSRMHXXFB-HSZRJFAPSA-N 359.473 4.028 30 50 FIEA N#Cc1c(OCc2ccccc2)nsc1NC(=O)Oc1ccccc1 22006808 LMBGZNPXUVCPKZ-UHFFFAOYSA-N 351.387 4.205 30 50 FIEA Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2ccccc2Cl)o1 6527258 ODMYYGGMGHYHEY-KTKRTIGZSA-N 356.809 4.450 30 50 FIEA CN(C)/C=C/C(=O)[C@H](Cc1c(F)cccc1Cl)C(=O)c1ccccc1 20218988 BFIJEZTVDIBSKM-PCUGXKRQSA-N 359.828 4.165 30 50 FIEA C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 43759617 LFSRETZWVUHKLB-SQXBVBPSSA-N 356.506 4.245 30 50 FIEA biogenic C=CCOc1ccccc1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 584904389 AXUQLSJSDPQESN-GMAHTHKFSA-N 354.538 4.480 30 50 FIEA C=C(C)COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC 5052429 KGFWRIKALKCKFB-YVLHZVERSA-N 367.376 4.134 30 50 FIEA N#CC(Br)(C#N)[C@H](CC(=O)c1cccs1)c1ccccc1 3073450 TWTFKNZRBWPTSS-CYBMUJFWSA-N 359.248 4.286 30 50 FIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4916161 SDEWVBYMLBVFSO-HOTGVXAUSA-N 351.471 4.315 30 50 FIEA O=C(/C=C/Nc1ccc([N+](=O)[O-])cc1Br)c1cccs1 5018357 BTGLPJCXIKOUAQ-AATRIKPKSA-N 353.197 4.227 30 50 FIEA Cc1cc(C(=O)/C=C\c2ccc(COc3ccc(F)cc3F)o2)n(C)n1 6527849 ZZAWYFOUMBPEMM-SREVYHEPSA-N 358.344 4.075 30 50 FIEA CC(C)n1ncc2ccc(N=C(O)N3CCC[C@@H]3C3CCOCC3)cc21 329480340 PGBYGBLLKUUNMF-GOSISDBHSA-N 356.470 4.054 30 50 FIEA O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])c1 1210914 YVFUOIYANNQWPH-BEFAXECRSA-N 365.414 4.234 30 50 FIEA aggregator N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCN(c2ccccc2)CC1 2195700 FQHFXUGJWGFYNO-UHFFFAOYSA-N 364.836 4.193 30 50 FIEA Cc1cc(N/N=C\c2cc(Br)ccc2O)nc2ccccc12 4981967 XWEYJHXJCPJLIR-GRSHGNNSSA-N 356.223 4.457 30 50 FIEA C=CCN1CCN(C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 23582167 MCRQKEHDGXTNRF-UHFFFAOYSA-N 361.533 4.126 30 50 FIEA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)Oc2c(Cl)cc(Cl)cc21 299738293 RECKTRUBLXDZRU-PQMHYQBVSA-N 352.129 4.223 30 50 FIEA COc1ccc(-c2ccc(C#N)c(=O)n2Cc2cccc(Cl)c2)cc1 3128353 OMWCLBBWESTGIC-UHFFFAOYSA-N 350.805 4.097 30 50 FIEA O=C1C(Nc2cccc(Cl)c2)=C(N2CCCC2)C(=O)c2ccccc21 4725366 NTNPGVATAZEMFQ-UHFFFAOYSA-N 352.821 4.139 30 50 FIEA Cc1ccc(Cl)c2ccc(N=C(O)[C@@H]3CCO[C@H]3c3nccn3C)nc12 328979525 RCKVEDPBOKXYTH-CXAGYDPISA-N 370.840 4.296 30 50 FIEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2CCCOc1ccc2ccccc2c1 343516912 ISIQKGIPJXPDKO-UHFFFAOYSA-N 360.413 4.107 30 50 FIEA COc1ccccc1C[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 375598734 QWXUABVKIKVTNL-IBGZPJMESA-N 356.510 4.050 30 50 FIEA N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 1054148 LDVCNVRBXHVBAX-UHFFFAOYSA-N 357.365 4.390 30 50 FIEA O=C1C[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6819473 IFAPKWWCPZTYGB-WMLDXEAASA-N 369.823 4.483 30 50 FIEA CN(C)/C=N/C(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 146199882 YTUUCAFBLKFHBE-HKOYGPOVSA-N 373.525 4.443 30 50 FIEA in-vitro O=[N+]([O-])c1ccc(OCC(O)=Nc2csnc2-c2ccccc2)cc1 328596541 BCRPKVFXFFEXRV-UHFFFAOYSA-N 355.375 4.385 30 50 FIEA COc1ccccc1C1(C/N=C(/O)N[C@@H]2CCCCC[C@@H]2C(=N)O)CCC1 329583247 QNXFRQPLXFTSLC-DOTOQJQBSA-N 373.497 4.105 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 2073804 GOKVVTHKWZIPPU-QGZVFWFLSA-N 363.446 4.023 30 50 FIEA CCc1c(C)sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C#N 2765520 JAOSIICYTYMYPB-UHFFFAOYSA-N 362.270 4.262 30 50 FIEA O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819496 PBBIXQVGJHKPFN-CZUORRHYSA-N 369.823 4.483 30 50 FIEA C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1 239121069 JGAYKEAZJXUZJD-UHFFFAOYSA-N 353.469 4.408 30 50 FIEA C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 12343882 UKEQJOZPNQEQTM-WJDWOHSUSA-N 357.456 4.246 30 50 FIEA CC(C)(C)OC(=O)N1CCCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 1857785247 ZVKCPOVSCLSOAD-PFONDFGASA-N 351.296 4.355 30 50 FIEA COc1ccc(/C(C)=N/Nc2nnc(Cl)c3ccccc23)cc1OC 8572700 HNKLYPHNXHTZCR-RGVLZGJSSA-N 356.813 4.137 30 50 FIEA COc1cccc(Cl)c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 225794876 SAKFTNZWIQBJMZ-UHFFFAOYSA-N 359.212 4.237 30 50 FIEA Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 2789244 CCTYKOMIXWSOIA-CMDGGOBGSA-N 354.431 4.298 30 50 FIEA Fc1ccc(-c2cccn3nc(C(F)(F)F)nc23)cc1OC(F)(F)F 1875318450 QJIKLFMIQSQZAR-UHFFFAOYSA-N 365.208 4.453 30 50 FIEA COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(OC)cc3OC)C2)cc1 1151688 ADDJHMFFIFVJIV-HNNXBMFYSA-N 353.418 4.155 30 50 FIEA C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1 2530683 KKZGFVAZUKHFAC-MRXNPFEDSA-N 374.278 4.036 30 50 FIEA biogenic Oc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 238997306 ADUBFULRLIEADB-UHFFFAOYSA-N 369.468 4.114 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)Nc1ccccc1-2 2977967 VQIWPWVKKIMQQX-KRWDZBQOSA-N 366.421 4.459 30 50 FIEA COc1ccc([C@H](CC(=O)N2CC[C@H](C)C3(CCC3)C2)/N=C(/C)O)cc1 329108050 IGHNWQNGINHOKA-KXBFYZLASA-N 358.482 4.142 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCC[C@@H](OCc3cccnc3)C2)o1 72146120 FGAHBCYKOIIUSK-HXUWFJFHSA-N 373.456 4.394 30 50 FIEA CCC[C@@H](/N=C(\S)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13519109 HXGHHMVEEJLYLB-ZBLKQVMWSA-N 350.572 4.426 30 50 FIEA S=c1[nH]nc(-c2ccccn2)n1/N=C/c1c(Cl)cccc1Cl 5450703 XVZGGBMIHMNKKL-QGMBQPNBSA-N 350.234 4.192 30 50 FIEA C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CCc1ccccc1 1299711 UNMNQJGQYLXPDS-UTKZUKDTSA-N 354.450 4.138 30 50 FIEA N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CCCn1ccnc1 65393729 LIHRSBONEKDLER-UHFFFAOYSA-N 353.429 4.376 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C#N)C1 239025469 BRINQOKNWFCARM-VHDGCEQUSA-N 374.506 4.354 30 50 FIEA Cc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])o4)ccc3n2C)o1 4543042 SOINSVKVSYWABD-VXLYETTFSA-N 350.334 4.394 30 50 FIEA CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 225416685 FBLUFKCVGVRYSE-HKUYNNGSSA-N 364.445 4.113 30 50 FIEA O=C(O)CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CC[C@H](O)CCc1ccccc1 27639145 ZHCXQFHXZFWVRT-CGMKUHOHSA-N 370.489 4.333 30 50 FIEA in-vitro CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257356301 HHOPZZNLTLSBAF-PAHKONSESA-N 358.478 4.019 30 50 FIEA N#CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 25578149 PVLRRKWPDSQQBM-QGOAFFKASA-N 364.426 4.216 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc(NC(C)=O)nc1 55154045 CNDQJHDPUHEWHM-UXHICEINSA-N 361.445 4.128 30 50 FIEA CC(=O)SCCN(C)c1oc(-c2cccc3ccccc23)nc1C#N 1857798750 ABRPAMAVFDPMTE-UHFFFAOYSA-N 351.431 4.082 30 50 FIEA Cc1ccc(NC(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)c(C)c1 2532608 VONCSKKQQVNSIQ-UHFFFAOYSA-O 370.476 4.233 30 50 FIEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1Cl 4851424 IHWXAVZUMXCSRP-UHFFFAOYSA-N 358.250 4.005 30 50 FIEA C=N/N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 102320335 WGCHXJADQZBUFT-OUJYPELJSA-N 366.420 4.305 30 50 FIEA Sc1nnc(C2CCCCC2)n1N=Cc1ccccc1Br 240824829 QLDRDCKQFLYWOP-UHFFFAOYSA-N 365.300 4.259 30 50 FIEA Cc1cc(Oc2ccc(-n3cncn3)cc2)n2c(nc3ccccc32)c1C#N 301387790 WXJXPNTWKZKUHM-UHFFFAOYSA-N 366.384 4.041 30 50 FIEA CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 5101062 KIZGFJLEGQQBJQ-JOCHJYFZSA-N 361.445 4.389 30 50 FIEA CNC(/N=C(\O)Nc1c(C)cccc1C)=N\C(=O)Nc1c(C)cccc1C 4110406 GKIUUVWTTVWLII-UHFFFAOYSA-N 367.453 4.054 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1Cc1c(CO)cnc(C)c1O 1506428930 ZNWVSLTVBFHLOP-CTNGQTDRSA-N 350.462 4.036 30 50 FIEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1478886 WKMXFBXEHOVTBP-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccc(F)cc1 2336019 WFDYNILXKVZQRT-SRZZPIQSSA-N 364.405 4.114 30 50 FIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 17824184 AMYULXAEKAUHOY-QGZVFWFLSA-N 359.853 4.261 30 50 FIEA Cc1nc([C@@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)s2)cs1 71638952 IHSJNQNRWKOHOJ-GFCCVEGCSA-N 357.504 4.108 30 50 FIEA Cc1cc(NC(=O)Cc2ccccc2CC#N)n(-c2cccc(Cl)c2)n1 776760886 XFOQGBIRWIYOND-UHFFFAOYSA-N 364.836 4.081 30 50 FIEA C#CCCC1(CCC(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)N=N1 952883267 YGXBPPSQSNJJHZ-ROUUACIJSA-N 353.466 4.047 30 50 FIEA Cc1noc([C@H]2CCN(c3oc(-c4cccc5ccccc45)nc3C#N)C2)n1 1857798910 GCKJUFCXCZGPEF-HNNXBMFYSA-N 371.400 4.052 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCCC1 7720709 GIFCPFAUQTTWSF-UHFFFAOYSA-N 359.857 4.485 30 50 FIEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)C2CCC(c3ccccc3)CC2)cnn1C 330268053 ILTBZETXXHFTNL-RRIIRSAJSA-N 367.493 4.489 30 50 FIEA COc1nccc(N(C)c2ccc(C)c(-c3cc(C#N)ccc3OC)c2)n1 2325841115 DEZRWGLZRYOQNJ-UHFFFAOYSA-N 360.417 4.109 30 50 FIEA S=C(N/N=C/c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 6299176 KIIUNWKWHXPKIZ-PXLXIMEGSA-N 367.518 4.396 30 50 FIEA CC#CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1c(F)cccc1Cl 12580804 IIXNVMUWNVRSRE-NRFANRHFSA-N 366.823 4.458 30 50 FIEA CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 71770169 JOIVCMKYTDBOIY-NTTSBTAXSA-N 356.506 4.491 30 50 FIEA Cc1oc(C)c(/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)c1C 328609009 BXBCANSZEMXWQD-INIZCTEOSA-N 361.442 4.184 30 50 FIEA Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)c1C 1215651 HNCVCJMPQUWAFB-UHFFFAOYSA-N 351.475 4.180 30 50 FIEA N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCC2=O)cc1 328589313 BKWXYIDZNAXJHD-UHFFFAOYSA-N 367.408 4.214 30 50 FIEA CCCCCCCCCCCCC(=O)NC[C@@H](O)C[N+](C)(CC)CC 220971476 DCUCRPJXWFRLID-HXUWFJFHSA-O 357.603 4.261 30 50 FIEA Cc1c(C#N)c2ccccc2n1CC(=O)NCCSC1CCCCC1 243914965 BLCRAJDDFUKSER-UHFFFAOYSA-N 355.507 4.004 30 50 FIEA C[C@@H]1CN(C(=O)c2cccc(/C(O)=N/C3CC3)c2)c2cccc(Cl)c2O1 330016262 PHBBYYKLUUXZLY-GFCCVEGCSA-N 370.836 4.235 30 50 FIEA C#CCCC1(CCOC(=O)c2cccc(Cl)c2Br)N=N1 2325900235 QKFNPTPQFHCLDH-UHFFFAOYSA-N 355.619 4.225 30 50 FIEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1cc(Cl)cc(Cl)c1 5495196 MOBAUSVTOOVICX-UHFFFAOYSA-N 358.250 4.005 30 50 FIEA COc1ccc(OC)c(-c2csc(N/N=C(\C)c3ccccn3)n2)c1 43761264 HIBSVVCHLCMELC-CIAFOILYSA-N 354.435 4.058 30 50 FIEA O/C(=N/[C@H]1CC[C@H](Nc2ccccn2)CC1)c1sccc1OC(F)F 328592094 ZYVOLJCJBYPYHY-HAQNSBGRSA-N 367.421 4.472 30 50 FIEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(C(C)C)cc1 707646 MJUXUXSRSWURDI-NRFANRHFSA-N 363.457 4.337 30 50 FIEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2cccc(F)c2F)CC1 2325806811 HYAPNDVIINNSHF-VFNWGFHPSA-N 365.464 4.414 30 50 FIEA C/C(=N\N=c1\[nH]c(-c2ccc(Cl)cc2)cs1)c1ccc(O)cc1O 43761271 UWCICSZSQXNUMQ-KEBDBYFISA-N 359.838 4.133 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2C)C[C@@H]1c1cccc(OC)c1 252490137 KJZJYJQMNNCEKP-IFMALSPDSA-N 364.441 4.323 30 50 FIEA Cc1c([C@@H](C)/N=C(/O)N2CCOC[C@H](C3CCC3)C2)oc2ccccc12 330231254 WUKSFBGKZCSSMH-NVXWUHKLSA-N 356.466 4.465 30 50 FIEA Clc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1 3897898 MRPRHUKQPQVHEP-UFWORHAWSA-N 357.204 4.259 30 50 FIEA CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC 33848244 YZBRCGCRYAHOHV-DQUZTPNMSA-N 350.499 4.369 30 50 FIEA in-vitro C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12023639 NUQSWDYGXYASSC-SFHVURJKSA-N 366.436 4.246 30 50 FIEA C[C@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 170625326 IVGNIFOSJQQLFM-KXBFYZLASA-N 352.507 4.457 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2F)C[C@H]1c1cccc(F)c1 252505099 VOKGLIQXLMCDQT-FXAWDEMLSA-N 356.368 4.284 30 50 FIEA CCc1cccc2c1OCC[C@H]2/N=C(/O)[C@H]1CCO[C@@H]1c1cccnc1 330054406 RXYSDLBVFZWDEJ-NLWGTHIKSA-N 352.434 4.202 30 50 FIEA N#Cc1cccc(N2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)n1 95386472 SDFHUEYSGBIVJD-FQEVSTJZSA-N 372.516 4.192 30 50 FIEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2cc(F)c(F)c(F)c2)CC(=O)O3)C1=O 217935338 ZTNRPKOYYGXDLV-LLVKDONJSA-N 374.314 4.414 30 50 FIEA biogenic CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 2801315 KUKLHSJZZPQRCM-FQEVSTJZSA-N 369.461 4.006 30 50 FIEA CCSC1=N/C(=C\c2cc(OC)ccc2Br)C(=O)S1 4755175 JKEVIDFOKBDKNU-XFFZJAGNSA-N 358.282 4.181 30 50 FIEA Cc1ccc2[nH]c(CN3CCC(c4cccc(C#N)c4)CC3)cc(=O)c2c1 92065758 QKHHJFAAUIWIAW-UHFFFAOYSA-N 357.457 4.088 30 50 FIEA COc1ccc(N=C2C(=O)N(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 245240469 VKVBYFRRFYXLHH-UHFFFAOYSA-N 370.408 4.311 30 50 FIEA CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257356299 HHOPZZNLTLSBAF-GMJRFCCJSA-N 358.478 4.019 30 50 FIEA Cc1cccc(/C(N)=N/OC(=O)c2c(-c3ccccc3Cl)noc2C)c1 4200267 HHCWSDNHWDHCPP-UHFFFAOYSA-N 369.808 4.089 30 50 FIEA C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 185479673 PWSZFGAPDUBNMV-HKUYNNGSSA-N 374.435 4.469 30 50 FIEA OC(=Nc1nccn1Cc1ccccc1)[C@H]1CCCCN1C1CCCC1 330112264 BUMRBNHAGRLDOZ-LJQANCHMSA-N 352.482 4.317 30 50 FIEA O=S(=O)(/N=C(/Nc1ccccc1)c1ccc(F)cc1)c1ccccc1 4868156 UXUZCSWQVABARC-UHFFFAOYSA-N 354.406 4.073 30 50 FIEA C=C[C@]1(C)C[C@@H](OCOC)[C@@]2(C)[C@H](C)CC[C@@]3(CCC(=O)[C@@H]23)[C@@H](C)C1=O 257356468 IGJSXBCAIJHWNQ-BWYXQDEFSA-N 362.510 4.178 30 50 FIEA CC(C)c1nc(CCN(C)C(=O)c2cccc(-c3cccc(C#N)c3)c2)no1 426700123 XVCAVGBTQKIBDB-UHFFFAOYSA-N 374.444 4.046 30 50 FIEA O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)c3ccccc3C1=N2 654491 YEKUNMFZVLRNNI-AZUAARDMSA-N 372.380 4.001 30 50 FIEA N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1 891987 WETRTPSBTOVHDT-GOSISDBHSA-N 355.235 4.104 30 50 FIEA COc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3)C(=O)C2)cc1 1210658 FFEPPVJOCCRFFY-UHFFFAOYSA-N 355.821 4.360 30 50 FIEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 2325806749 DRAPTHZUARUQTH-VGOFRKELSA-N 359.510 4.145 30 50 FIEA COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2sccc2C)C1=O 100202668 DCFDGZIHEZJANG-WJDWOHSUSA-N 353.443 4.242 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1C#N 2736340 UUVBPUBIBLYNNT-GJZGRUSLSA-N 368.458 4.236 30 50 FIEA CCCN(CC#Cc1ccccc1)Cc1c(C(=O)O)[nH]c2ccc(C)cc12 55242919 YPBJCGWCYGACSL-UHFFFAOYSA-N 360.457 4.438 30 50 FIEA Cc1cc(NC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 252485708 HBXOMMUBMKHJCU-UHFFFAOYSA-N 367.254 4.043 30 50 FIEA N#Cc1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 636241 ILFOGHJHPDXSKH-UHFFFAOYSA-N 354.200 4.334 30 50 FIEA Cc1c(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c2ccccc2n1C 71755050 IGGNLVPQJWOVEJ-UHFFFAOYSA-N 370.412 4.081 30 50 FIEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 1857722299 GIZQIFFODDZIJV-LJQANCHMSA-N 370.493 4.155 30 50 FIEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)N[C@@H]1CCCOc2ccccc21 330045746 IJUGQZVNUCHVJJ-YFVAEKQCSA-N 366.461 4.182 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1N(C)C 752638005 VVJOAMSBOHQECV-TZIWHRDSSA-N 362.477 4.365 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 19313806 MEDLNZLUJOFGRS-AVRDEDQJSA-N 373.452 4.221 30 50 FIEA CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC 206748657 YUQGCGMSKJTKRL-UHFFFAOYSA-N 374.518 4.047 30 50 FIEA CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)c1nc(-c2ccncc2)ccc1C#N 2325780724 KNRBMYYNXNQZOH-RHNCMZPLSA-N 350.466 4.045 30 50 FIEA C=CC[C@]1(CO)CCCN(Cc2ccccc2OCc2ccccc2)C1 91848922 KAABAIGBYXJGCS-QHCPKHFHSA-N 351.490 4.416 30 50 FIEA N#C[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 1613693 HWRWLUYLFXQSSP-CQSZACIVSA-N 366.726 4.174 30 50 FIEA C=CCc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1O 4737888 QUTHWDDCBINJBV-FOKLQQMPSA-N 364.474 4.450 30 50 FIEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1cccc(C)c1 6174173 BZDYLSZYXAPTMD-UPINRHINSA-N 350.447 4.098 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@@H](C(=O)c2cccc3ccccc23)C1 72162884 FRAAGXRWQKSAMD-LJQANCHMSA-N 368.436 4.447 30 50 FIEA CCOc1ccc(C=C2C(=O)ON=C2c2ccc(Cl)cc2)c(OCC)c1 2049286353 CHHPJCAHUWFTNV-UHFFFAOYSA-N 371.820 4.482 30 50 FIEA C=C(C)COc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 9865765 GCGGMYXBCRWEJR-OAQYLSRUSA-N 367.445 4.452 30 50 FIEA CO/N=C/c1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1N 2561466 LEGGETRZDXUODU-CIAFOILYSA-N 351.431 4.285 30 50 FIEA Cc1cccc2c1[N+](CCCOc1ccc3ccccc3c1)C(=O)C2=NO 343516986 VMDLAPALPNRHJZ-UHFFFAOYSA-N 360.413 4.107 30 50 FIEA N#Cc1ccc(NCC2(c3cccc(Br)c3)CCOCC2)cc1 301055802 ADULMQKSCMVULA-UHFFFAOYSA-N 371.278 4.481 30 50 FIEA COc1ccc(/C=N/Nc2nc(-c3ccccc3)nc(C)c2C)cc1OC 4595682 HPVALEVARVFJLZ-LPYMAVHISA-N 362.433 4.224 30 50 FIEA O=[N+]([O-])c1ccc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)cc1 4052626 NTOZCZONYKWSSW-UHFFFAOYSA-N 359.813 4.421 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5952187 BRINQOKNWFCARM-SNPRPXQTSA-N 374.506 4.354 30 50 FIEA C=CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(C)(=O)=O 5051066 PXTLATCGXYHWHO-UHFFFAOYSA-N 372.490 4.014 30 50 FIEA COc1ccc(C2CC(=O)C(=CNc3cc(Cl)ccc3O)C(=O)C2)cc1 100716555 USEAYOSTFAMUFU-UHFFFAOYSA-N 371.820 4.066 30 50 FIEA C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)O)cc1 18190541 GMGZIGIETDYGCJ-ZHACJKMWSA-N 360.207 4.346 30 50 FIEA N#C[C@@]1(C(=O)NCc2ccc(-c3cccnc3)cc2)CCc2ccccc2C1 1875257230 UJWJXAFOQYUBHS-XMMPIXPASA-N 367.452 4.064 30 50 FIEA O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1F 1079578 VGIZOWKLYOGKOD-HNNXBMFYSA-N 353.368 4.492 30 50 FIEA N=C(/N=c1/sc2ccccc2n1CCS)SCc1ccccc1 5344942 SVRPIQXZYBFJLT-DKEWFCAXSA-N 359.545 4.401 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(N(C)C)cc1 170615270 RZKYMRPHXNRLSH-UYAOXDASSA-N 369.486 4.133 30 50 FIEA COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 217675671 BQSZJAIQWATNHC-OAHLLOKOSA-N 350.370 4.005 30 50 FIEA biogenic Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC=CN32)cc1 2050271 AIVRNMFBZGHRIP-UHFFFAOYSA-N 363.236 4.191 30 50 FIEA COc1cccc(/C=C/C(=O)c2ccc(I)cc2)c1 4185335 PKRSIYJATIXDMB-BJMVGYQFSA-N 364.182 4.196 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(O)cc1 17437235 YWRZMZQUHGUGGB-LJQANCHMSA-N 371.436 4.330 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(C)c1 252488841 JAFFBASWDNJIAJ-SIKLNZKXSA-N 364.441 4.323 30 50 FIEA CCOc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1OC 1306982 SSNMHSHQMKVWNM-UDWIEESQSA-N 368.462 4.206 30 50 FIEA O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 5043288 FZJXEPBOAWRULT-MFKUBSTISA-N 364.408 4.427 30 50 FIEA CN(Cc1cccc(F)c1)c1nc(C(F)(F)F)cc(C(F)(F)F)n1 2325899694 RLFXDDNBJOXPON-UHFFFAOYSA-N 353.241 4.290 30 50 FIEA CC(C)[C@@H]1CC[C@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)C1=O 32603852 PBMVZXBUWLFUMN-JIUVDOBVSA-N 357.450 4.145 30 50 FIEA CC(=O)N1CC[C@H](/N=C(/O)c2sc(CC3CC3)nc2C)c2ccccc21 329957346 LVWFAOXZHDKDJC-INIZCTEOSA-N 369.490 4.207 30 50 FIEA O=C1/C(=C/c2ccccc2[N+](=O)[O-])CC/C1=C\c1ccccc1[N+](=O)[O-] 214078590 MGUNNOKSUYSCLE-JOBJLJCHSA-N 350.330 4.333 30 50 FIEA C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCC 1129860 DUYJTVAWPSBVSO-GHRIWEEISA-N 373.474 4.435 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1 3883269 AEZUZXYVWGQRLK-PZJWPPBQSA-N 350.414 4.015 30 50 FIEA Cc1cc(CNc2nc3c(C#N)cccc3n2C)ccc1Br 225642754 BSUSWKNCGZAWPO-UHFFFAOYSA-N 355.239 4.128 30 50 FIEA CC(=O)c1cccc(N=C(O)c2ccc(Br)c(F)c2)c1O 328596545 BNEOLOIQIPKPON-UHFFFAOYSA-N 352.159 4.133 30 50 FIEA CC1(C)CN(CCC(O)=Nc2ccc(C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1 329823166 HOJPIICYBNDBEJ-AEFFLSMTSA-N 361.873 4.079 30 50 FIEA C=CCc1ccc(OCCCCOc2ccc(C(=O)OC)cc2)c(OC)c1 2991313 LTYIECJPYXSZHV-UHFFFAOYSA-N 370.445 4.448 30 50 FIEA COc1ccc(C(=O)/C=C\Nc2ccccc2Br)c(OC)c1 100604855 OSQOOAMTIGQLHK-KTKRTIGZSA-N 362.223 4.275 30 50 FIEA CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 426412624 BAPRQAWHJQFKGD-OAHLLOKOSA-N 350.393 4.071 30 50 FIEA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC(C#N)(c2ccccc2)CC1 97413279 MCWBSUCGHDEUNI-UHFFFAOYSA-N 370.456 4.083 30 50 FIEA C=CCc1cccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1O 1478872 SPQGFYOTDIUATH-UDWIEESQSA-N 350.447 4.232 30 50 FIEA C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1C 2693421 IAYWPNJEQXITET-RMKNXTFCSA-N 362.838 4.100 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1ccc2c(c1)OCO2 20036638 JLWMXZXYDMMDTJ-IBGZPJMESA-N 363.417 4.032 30 50 FIEA CSc1nnc(-c2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1Cl 1122527 DCRIIPVUPKFSKH-VCHYOVAHSA-N 373.825 4.111 30 50 FIEA CC1(C)C(O)=Nc2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)ccc21 328901271 YWPFRHVHFZIFPF-PXNSSMCTSA-N 373.456 4.478 30 50 FIEA CCN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(-c2ncccc2C#N)c1 426734294 LYCUMVVMOOWZOA-UHFFFAOYSA-N 373.460 4.060 30 50 FIEA CCOc1cc(C#N)cc(Br)c1OCc1ccccc1F 2873578 IAVDHYOCQHDPNG-UHFFFAOYSA-N 350.187 4.438 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1N(C)C 752638003 VVJOAMSBOHQECV-FPOVZHCZSA-N 362.477 4.365 30 50 FIEA CCOC(=O)c1nc(-c2ccccc2)oc1COc1cccc(F)c1C#N 132126524 RCWYHVUXRBPPEB-UHFFFAOYSA-N 366.348 4.108 30 50 FIEA C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCc1ccccn1 5246487 MGZPVGRXWNMTDS-UHFFFAOYSA-N 355.445 4.440 30 50 FIEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)CCc1ccccc1 27639129 PBMAXTSZSCARIG-SXWKLETFSA-N 368.473 4.109 30 50 FIEA in-vitro C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](CC)c2ccnn2C)cn1 65488464 JHUHHNQXEHJYJC-IBGZPJMESA-N 372.476 4.333 30 50 FIEA Oc1ccc(Br)cc1/C=N/N=C1\C[C@H](c2ccccc2)N=N1 100827142 IUTUYKAZMWANOF-OVCCHQLFSA-N 357.211 4.484 30 50 FIEA Cc1cc2c(o1)CC(C)(C)C[C@H]2N/C(O)=N/Cc1cn2ccsc2n1 328641326 DCPBIJNILGHYRF-CQSZACIVSA-N 358.467 4.015 30 50 FIEA O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 816231 IULQJSLODVDDNP-OCCSQVGLSA-N 357.862 4.406 30 50 FIEA Cc1cc(F)cc([C@]2(F)CCN(c3c(C#N)cnc4cnccc34)C2)c1 2325777022 ZKUJCIUFDQXTFG-FQEVSTJZSA-N 350.372 4.024 30 50 FIEA C#CCCC1(CCNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)N=N1 2325893719 WKGBCHBCIVINFY-KRWDZBQOSA-N 362.477 4.410 30 50 FIEA Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=N/n2cnnc2)c1 2878866 WOXZDQOCBBKWBI-ZMOGYAJESA-N 364.449 4.050 30 50 FIEA CCc1cc(C)cc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)c1 2970095 ONHOIBVZBCHKNW-DHRITJCHSA-N 373.460 4.065 30 50 FIEA N#Cc1nc(-c2cccc3ccccc23)oc1S(=O)(=O)c1ccccc1 238881697 BBMWUPFLPDMDFW-UHFFFAOYSA-N 360.394 4.199 30 50 FIEA C=CCOc1ccc(CN(C)CC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 248339258 SLZSSXDYVCBTQO-QMHWCDLVSA-N 370.537 4.014 30 50 FIEA COC[C@H]1CCCN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)C1 426701523 ZNYALEBLCFUZIN-HNNXBMFYSA-N 368.864 4.377 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccccc2OCc2cscn2)N=N1 2325892241 FWFZWRXRUMYVHQ-UHFFFAOYSA-N 354.435 4.016 30 50 FIEA O=S(=O)(O)CCCN1C(=CC=Nc2ccccc2)Sc2ccccc21 1857524634 BBNSCFVDGDDQRS-UHFFFAOYSA-N 374.487 4.121 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525334 URXWVWVPMJSAJD-LLFXUEIYSA-N 370.489 4.185 30 50 FIEA O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C/c1cccc([N+](=O)[O-])c1 1386788 HQEQTVHLOZAUIZ-CAOOACKPSA-N 354.149 4.484 30 50 FIEA CCn1c(C(F)(F)C(F)(F)C(F)(F)F)nc2cc([N+](=O)[O-])ccc21 2976432 MXMSUDWRRPDLSE-UHFFFAOYSA-N 359.201 4.254 30 50 FIEA CCOC(=O)/C(=N/Nc1ccccc1)c1csc(Nc2ccccc2)n1 4421542 HKURHPZOMWCKLB-HAVVHWLPSA-N 366.446 4.266 30 50 FIEA C=CCc1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1O 2239198 HAGCRBJGMNFWPG-RGVLZGJSSA-N 370.865 4.204 30 50 FIEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 5584130 JSAUBHSWNZUTAJ-HXUWFJFHSA-N 370.408 4.173 30 50 FIEA N#C[C@@H](C(=O)C(=O)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 5889467 IOAXRPAAZOTZJD-LLVKDONJSA-N 367.619 4.462 30 50 FIEA CC(C)=C1Oc2c(ccc3c2[C@@H](C2=Cc4ccccc4OC2)CC(=O)O3)C1=O 217594659 AULFWHLJIYYAGR-MRXNPFEDSA-N 374.392 4.424 30 50 FIEA biogenic Cc1ccc(CN2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)cc1 19833213 OWZDQYCWIQKCCM-ZVHZXABRSA-N 361.411 4.166 30 50 FIEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 22339492 UOMMIYDQPWPBRB-SFTDATJTSA-N 372.553 4.365 30 50 FIEA N#Cc1ccc(CCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 170607115 XDXIMGXJKYRFTF-UHFFFAOYSA-N 362.399 4.043 30 50 FIEA CC(C)=C1Oc2c(ccc3c2[C@H](c2cc(F)c(F)c(F)c2)CC(=O)O3)C1=O 217935261 ZTNRPKOYYGXDLV-NSHDSACASA-N 374.314 4.414 30 50 FIEA biogenic CCOc1cc(/C=N/n2cnnc2)ccc1OCc1cccc2ccccc12 1093739 OIJIYLBMUJXTII-DHRITJCHSA-N 372.428 4.291 30 50 FIEA CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1 19923523 ONBOMEZRDSAXBT-BEFAXECRSA-N 359.466 4.196 30 50 FIEA O/C(=N/Cc1cnc(Br)s1)[C@H]1Cc2cc(Cl)ccc2O1 328591469 FMWMLDGMTQBCML-LLVKDONJSA-N 373.659 4.019 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 3905773 MBMRHTHVACFMKN-OAQYLSRUSA-N 365.473 4.449 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 7720277 GHGMKFVVCOBCKX-UHFFFAOYSA-N 371.799 4.358 30 50 FIEA CC/C(=N\Nc1nc2ccccc2n1C)c1cc(Br)ccc1O 222099396 KCELRBSHCUFHTN-DEDYPNTBSA-N 373.254 4.268 30 50 FIEA Cn1c(O)nc2ccc(/C(O)=N/[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)cc21 329944320 WRXFOSGHPGKFAY-CZUORRHYSA-N 353.397 4.059 30 50 FIEA CC[C@@H](C)N(CC#Cc1ccccc1)Cc1cc(OC)c(O)c(OC)c1 63847917 CLXCZZQDYRYWQE-QGZVFWFLSA-N 353.462 4.062 30 50 FIEA COc1c(Cl)cc(Cl)cc1C(=O)/N=C(/N)NC1CCCCCCC1 71782571 HFXWNCNENPPOMV-UHFFFAOYSA-N 372.296 4.159 30 50 FIEA O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)N[C@H]1CCCOc2ccccc21 330045745 IJUGQZVNUCHVJJ-SLYNCCJLSA-N 366.461 4.182 30 50 FIEA N#CC1CCC(CN(CCCCO)Cc2cccc3cnccc23)CC1 2325772026 NDAUJUKKCHEJEH-UHFFFAOYSA-N 351.494 4.139 30 50 FIEA C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 3002854 JLKAWNQAJQLWPH-PDGQHHTCSA-N 367.401 4.074 30 50 FIEA O=C1C[C@H](c2ccccc2)CC(Cl)=C1CS(=O)(=O)c1ccccc1 3048686 RWDPSFMZLZAYBJ-OAHLLOKOSA-N 360.862 4.100 30 50 FIEA C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 5561281 JVZAVILNYDAJAV-DHZHZOJOSA-N 360.207 4.376 30 50 FIEA O=C1[C@@H]2C3=C(CCCC3)S[C@H]2N=C(SC[C@H]2CO2)N1c1ccccc1 254839349 GAQNJNHVLDQEGY-KBRIMQKVSA-N 372.515 4.038 30 50 FIEA COc1ccccc1C[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 375598735 QWXUABVKIKVTNL-LJQANCHMSA-N 356.510 4.050 30 50 FIEA OCC#Cc1ccc(CN2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)cc1 65376635 QBENRMNFPWBMIH-DEOSSOPVSA-N 368.480 4.082 30 50 FIEA CC1(C)OB(/C=C(/B2OC(C)(C)C(C)(C)O2)c2ccccc2)OC1(C)C 195759099 VQWACXAYGMFHOQ-JQIJEIRASA-N 356.080 4.333 30 50 FIEA N#Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc2c1CCC2 2465497 VKFFADKBVYNMRG-UHFFFAOYSA-N 353.378 4.155 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1 9087944 WQPJTSPKZZGEFA-LJQANCHMSA-N 374.371 4.004 30 50 FIEA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426395404 PNDVYVQDIFTBJA-FQEVSTJZSA-N 366.436 4.396 30 50 FIEA C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 12342677 GQDIQHSXEHDBOZ-LDADJPATSA-N 367.401 4.074 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 2894869 PALIEPTWRRGFKU-IBGZPJMESA-N 357.425 4.137 30 50 FIEA CS/C(=N\c1ccc(NC(C)=O)cc1)Nc1ccc(NC(C)=O)cc1 3899983 GWUGFTKBGNOYFY-UHFFFAOYSA-N 356.451 4.066 30 50 FIEA Cc1cccc(NC(=O)c2ccc(CN(C)[C@@H](C)c3ccon3)cc2)c1C#N 65380957 AXBHTFAOQUAYJZ-INIZCTEOSA-N 374.444 4.300 30 50 FIEA C=C1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CCC(=C)CC3)c2)CC1 225544148 UONBOVUVJUCPJW-UHFFFAOYSA-N 368.481 4.363 30 50 FIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257347997 AIBWHDYZKNWYQQ-PTROGCMSSA-N 354.490 4.453 30 50 FIEA N#Cc1cc(Nc2ccc(Cc3ccncc3)cc2)c([N+](=O)[O-])cc1C#N 4081544 LIUMFCFROPFOEZ-UHFFFAOYSA-N 355.357 4.068 30 50 FIEA COc1ccc(-c2c(C)sc(NC(=O)C[C@@H](C)CC(=O)O)c2C#N)cc1 17076275 BAYROJBPDKUBPZ-LLVKDONJSA-N 372.446 4.043 30 50 FIEA C=CCc1cc(CN2CCC[C@H]2c2nc(C)no2)cc(OC)c1OC(C)C 55168084 JBKFZHRRWPTXOO-SFHVURJKSA-N 371.481 4.239 30 50 FIEA COc1ccc(N/C=C/C(=O)c2sc(-c3cccnc3)nc2C)cc1 100364540 PBJKTFNNNCSCRI-PKNBQFBNSA-N 351.431 4.331 30 50 FIEA Oc1ccc(Br)cc1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1 100827141 IUTUYKAZMWANOF-CEIXVFBHSA-N 357.211 4.484 30 50 FIEA O=C1[C@@H](/N=C(/O)C2(c3cccnc3)CCCC2)CCCN1C1CCCCC1 329666738 RGVBVFZTDKJVJX-IBGZPJMESA-N 369.509 4.174 30 50 FIEA O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 1210916 YVFUOIYANNQWPH-DNVCBOLYSA-N 365.414 4.234 30 50 FIEA aggregator N#Cc1cccc(CN2CCN(c3nc(-c4ccccc4)cs3)CC2)c1 65405396 KQSHKLSDAHUCAU-UHFFFAOYSA-N 360.486 4.004 30 50 FIEA Fc1cccc(F)c1-c1ccc(/C=N/Nc2nc(-c3ccncc3)no2)o1 1875258676 LBGUTUXWHSZCSD-LSHDLFTRSA-N 367.315 4.116 30 50 FIEA N#Cc1ccc(Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1C#N 754652 XFHHSBLAQDLNOI-UHFFFAOYSA-N 365.348 4.391 30 50 FIEA COc1cc(-c2cc(-c3cccc4ncccc34)c(C#N)c(N)n2)ccc1O 67965143 BFRSNKOLZJTJHG-UHFFFAOYSA-N 368.396 4.132 30 50 FIEA CCCCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 101171932 FUNIKIHTKPCBNM-UHFFFAOYSA-N 354.516 4.064 30 50 FIEA CCC(C)(C)[C@H]1C/C(=C/c2cnn(C)c2)C(=O)/C(=C/c2cnn(C)c2)C1 249112745 OOKHDJDBMLVJQA-KFMOIQPYSA-N 352.482 4.036 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 625731 JXYMVQBVUFAUOC-OAHLLOKOSA-N 366.244 4.134 30 50 FIEA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(C(C)=O)=CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 253501312 UYNAMKNNUDDKNG-INGHCSAXSA-N 372.505 4.217 30 50 FIEA Cc1c(C/N=C(/O)[C@@H]2CCc3nn[nH]c3C2)sc2ccc(Cl)cc12 329150266 ZJVUENMLZCYCBG-SNVBAGLBSA-N 360.870 4.243 30 50 FIEA C=CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)c(OCC=C)c1 2844281 PMZBCYSBMWXVOE-VBKFSLOCSA-N 367.426 4.222 30 50 FIEA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C\c2cccs2)C1=O 32193740 AUSRNKVHPZSTFD-GDNBJRDFSA-N 359.834 4.279 30 50 FIEA C#C[C@@H](OC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccc(Cl)cc1F 225858359 JQBDBLNJUYYDRM-ISTRZQFTSA-N 350.817 4.338 30 50 FIEA CC(C)(NC(=O)c1c2ccccc2nn1CCCCC#N)c1ccccc1 575631016 HZXAXDPZAHVPGL-UHFFFAOYSA-N 360.461 4.395 30 50 FIEA in-vitro C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 1066704 DHDBUGMDPBMDJT-DEOSSOPVSA-N 371.436 4.223 30 50 FIEA C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O 1166622 RZNFRRMAGCLTER-XYOKQWHBSA-N 356.230 4.062 30 50 FIEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(C(C)(C)C)cc1)CC2 91289417 FEUQBHMEVNJOJF-UHFFFAOYSA-N 354.538 4.375 30 50 FIEA Cn1cnc(N=C(O)CCN2c3ccccc3Sc3ccccc32)n1 328592272 BOENJJBCVLTLMS-UHFFFAOYSA-N 351.435 4.096 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc(Cl)c1Cl 5593932 YTINGRSICPDNLG-CYBMUJFWSA-N 351.258 4.455 30 50 FIEA C#CCN1C(=O)S/C(=C\c2ccccc2OCc2cccc(C)c2)C1=O 12462761 MFGCRHPGCDBTOP-UYRXBGFRSA-N 363.438 4.244 30 50 FIEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 19638502 ORNMNLFIPDEZDH-IBGZPJMESA-N 369.461 4.006 30 50 FIEA Cc1ccc(CN2CCN(N=Cc3c(O)ccc4ccccc34)CC2)c(C)c1 244716272 LMAVKNXALJLVTD-UHFFFAOYSA-N 373.500 4.314 30 50 FIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253533701 AIBWHDYZKNWYQQ-NENAYYCWSA-N 354.490 4.453 30 50 FIEA CN(C)/C=C/C(=O)c1ccc(Oc2cc(C(F)(F)F)cnc2C#N)cc1 1392169 IZCHCNOCQIBYFK-BQYQJAHWSA-N 361.323 4.022 30 50 FIEA O=C1C=C(Nc2ccccc2C(=O)c2ccccc2)c2ccccc2C1=O 1625326 RGLSDDNPRPVLMO-UHFFFAOYSA-N 353.377 4.136 30 50 FIEA Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)c(C)c1 2977614 NFVNSTHPHSRFGT-DHRITJCHSA-N 373.460 4.119 30 50 FIEA Fc1ccccc1-c1nnc(S)n1/N=C/C(Cl)=C/c1ccccc1 6102862 OPZHJBQNHWQVKH-ULCUFOFXSA-N 358.829 4.487 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)N=N1 2325891896 ADALKNJSWPBGBL-NRFANRHFSA-N 371.444 4.124 30 50 FIEA Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Cl)cc1)CCCC3 2831453 XWTOIEUPFZZEAQ-KEBDBYFISA-N 357.866 4.181 30 50 FIEA N#Cc1cccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 9295522 DGSMNDMMWZQHDX-UHFFFAOYSA-N 371.771 4.356 30 50 FIEA C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccnc1 12342955 LYRHBDYLHIRALJ-NLRVBDNBSA-N 368.484 4.193 30 50 FIEA COc1ccc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)cc1 2343907 ZHBYKSVJOSXGLA-JABDDIKQSA-N 370.865 4.356 30 50 FIEA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 4144157 JVEXTJDQFXWRFW-UHFFFAOYSA-N 372.359 4.461 30 50 FIEA COc1cc(Cl)cc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1O 6857961 OHNIDECNXRNZMZ-DJKKODMXSA-N 374.853 4.166 30 50 FIEA Cc1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 17041961 PMTLURKIZJTKED-UHFFFAOYSA-N 350.443 4.243 30 50 FIEA CCOc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 17837407 TYKCJBIJUVVJIL-UHFFFAOYSA-N 359.223 4.229 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 19771390 BHABEHSKTWVWNB-GOSISDBHSA-N 371.502 4.186 30 50 FIEA CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCC(=O)NCCO 27646014 RTDIKSCKKJORSI-ABYDBCJLSA-N 363.542 4.452 30 50 FIEA in-vitro CCn1ncc(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)c1C 584899904 DPMOWUIOFLTHHB-UHFFFAOYSA-N 372.472 4.331 30 50 FIEA C=CCSC1=N/C(=C\c2cc(OC)c(OC)cc2Cl)C(=O)S1 3461254 GEHDAYFDKLHPSH-WDZFZDKYSA-N 355.868 4.247 30 50 FIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1F 5388884 KNONEUFPICLUAZ-UHFFFAOYSA-N 351.381 4.013 30 50 FIEA COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc(OC)c1 15011794 HBKPVBQEFVNUCW-CXUHLZMHSA-N 374.849 4.249 30 50 FIEA COc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)cc1 100895642 JYJAYGWGJVISOU-QGMBQPNBSA-N 370.630 4.498 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245239254 GVBHYHFYTCVSPY-SBOLZLDZSA-N 358.522 4.325 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)N=N1 952883162 UWIPQALSVGGLNY-QGZVFWFLSA-N 352.482 4.355 30 50 FIEA CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 1189810 DGLTTXSNTYDNTE-FQEVSTJZSA-N 369.461 4.005 30 50 FIEA C=C(C)COc1ccccc1C(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 55243648 DGBMHQWKJYALEL-MRXNPFEDSA-N 355.438 4.125 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(OC)c1 170615326 KMGWWEBCUHEZAE-IEBWSBKVSA-N 356.443 4.076 30 50 FIEA CCCCOc1ccccc1/C=C1\C(=O)ON=C1c1cccc([N+](=O)[O-])c1 252498452 RCKROTMWAPWCSF-LGMDPLHJSA-N 366.373 4.118 30 50 FIEA C#CCOc1c(Cl)cc(CNCc2ccc3ccoc3c2)cc1OC 2325725429 GLYYYNKUJXCCJO-UHFFFAOYSA-N 355.821 4.397 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)s1 4728359 VFNJUJQCNVHVPY-IBGZPJMESA-N 373.518 4.478 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccccc1C 170618149 XYBGQJOSFVHKFD-UGKGYDQZSA-N 364.441 4.323 30 50 FIEA COc1nc(C)cc(C)c1C/N=C(/O)c1ccc(Oc2ccccc2)nc1 328590405 FOBVCVYJCYZOIE-UHFFFAOYSA-N 363.417 4.399 30 50 FIEA Cc1nnc(-c2ccccc2-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)o1 426739649 GJDWTDJEYUPKRH-INIZCTEOSA-N 372.428 4.088 30 50 FIEA C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 2385992 MTJONFAYYRIKFY-UHFFFAOYSA-N 374.853 4.108 30 50 FIEA CN(CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 55468396 OUGVEZXLCRBUBA-UHFFFAOYSA-N 355.481 4.448 30 50 FIEA Cc1cncc(/C=C/C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 126330905 XQDNBVIEQMAAEP-BJMVGYQFSA-N 369.424 4.493 30 50 FIEA Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1cccs1 239046967 GAOINZYBICGWGN-UHFFFAOYSA-N 355.275 4.484 30 50 FIEA C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc13)C(=Cc1ccccc1)CC2 1857532275 QFBQLXDSHZHVQU-HNNXBMFYSA-N 353.425 4.363 30 50 FIEA CCOc1cc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)ccc1OC 986629 VVVJKRZOMSRYLO-XNTDXEJSSA-N 357.793 4.092 30 50 FIEA O=C(O)[C@H](CCCC/N=C(\O)c1ccccc1)/N=C(\O)C1CCCCC1 82056147 KDSGHTVZNSRDPL-KRWDZBQOSA-N 360.454 4.152 30 50 FIEA biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@@H]1c1cccs1 252481489 CMZNMHNXJCJBHN-XLIONFOSSA-N 370.470 4.466 30 50 FIEA Cc1ccccc1C[C@H]1S/C(=N\N=C\c2cccc3ccccc23)NC1=O 4159983 KYNXUEYFIYCOPV-RXULLKCLSA-N 373.481 4.312 30 50 FIEA C[C@]1(C(O)=Nc2nnc(C3CCOCC3)s2)CCc2ccccc2C1 329293817 JJNCUKIEQHHMNY-IBGZPJMESA-N 357.479 4.215 30 50 FIEA N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)[nH]2)c1 491899062 JUWLDJYTAHGTSG-JENIJYKNSA-N 362.477 4.171 30 50 FIEA N#Cc1c2c(c(NCc3ccccn3)n3c1nc1ccccc13)CCCC2 4170425 MWJFXWRUCLDVCS-UHFFFAOYSA-N 353.429 4.245 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2ccccc2)cn1 65435197 ZTACFWSVSLFONS-NRFANRHFSA-N 370.456 4.333 30 50 FIEA Cc1oc(C)c(/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c1C 328609010 BXBCANSZEMXWQD-MRXNPFEDSA-N 361.442 4.184 30 50 FIEA Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1N(C)C 752638002 VVJOAMSBOHQECV-CTNGQTDRSA-N 362.477 4.365 30 50 FIEA N#Cc1cc2c(nc1SC[C@H](O)CNc1ccc(Cl)cc1)CCCC2 911452 HOPLHGVZHXVVKK-QGZVFWFLSA-N 373.909 4.051 30 50 FIEA C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 2530682 KKZGFVAZUKHFAC-INIZCTEOSA-N 374.278 4.036 30 50 FIEA biogenic CC(C)[C@](C#N)(CCCNC[C@@H]1COc2ccccc2O1)c1ccccc1 6754483 ZTBZVVBXACPXRI-NFBKMPQASA-N 364.489 4.314 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccc(F)cc1 170618311 NIDNJSQKQDNMFY-NQIIRXRSSA-N 368.404 4.154 30 50 FIEA Cc1cccc(C)c1OC[C@@H](C)/N=C(/O)N1CCC(c2nccs2)CC1 328779933 UHUDLYUJPDMIJV-MRXNPFEDSA-N 373.522 4.321 30 50 FIEA Cc1nc2cc(C/N=C(/O)[C@H](C3CC3)N3CCCC3)ccc2n1C1CC1 328795454 UBUMUNUYMZIRJY-FQEVSTJZSA-N 352.482 4.011 30 50 FIEA N#Cc1ccsc1N=C(O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 329036561 CJUKWHPTHAABLV-KSZLIROESA-N 351.475 4.476 30 50 FIEA O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)c3ccccc3C1=N2 654488 YEKUNMFZVLRNNI-UYAOXDASSA-N 372.380 4.001 30 50 FIEA C=C(C)COc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 9877866 UZPFIPBSHGMOKJ-IBGZPJMESA-N 367.445 4.452 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 19772309 RXRLZOQYQFCAOD-IBGZPJMESA-N 357.475 4.202 30 50 FIEA CCCCC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)NCCO 27646060 TYRRSRADDAROSO-ABRALVTRSA-N 363.542 4.452 30 50 FIEA endogenous,in-man C=CCNC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCC2 2677509 JIDZMQUJGZBCRU-OUKQBFOZSA-N 366.486 4.195 30 50 FIEA O=C(O)c1ccc(C/N=C2\c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 5942272 HLDLOYGUYMHNOP-LWGCSBEDSA-N 355.393 4.354 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(F)c(Cl)c1 170618186 FDJDEDDOYFCWNK-UGSOOPFHSA-N 362.784 4.391 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)ccc1C 625591 DSIVMOSQFGSTFU-HXUWFJFHSA-N 367.489 4.471 30 50 FIEA N#Cc1cc2c(nc1SC[C@@H](O)COc1ccc(Cl)cc1)CCCC2 911444 JWBDQNVKXPUKNN-INIZCTEOSA-N 374.893 4.017 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccsc1 3883275 XVYHFTUSYDJUNR-VQIMIIECSA-N 356.443 4.076 30 50 FIEA O=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819526 XXPJQOJDEVEDEU-GOEBONIOSA-N 351.833 4.344 30 50 FIEA CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@@]12C 257359230 ZBULDJKFUGQBQC-OUVAMTEUSA-N 368.473 4.107 30 50 FIEA C/C(=N\N=c1\[nH]c(-c2ccc(C)cc2)cs1)c1ccc([N+](=O)[O-])cc1 4985262 HDBBWTGFIAOZBP-DEDYPNTBSA-N 352.419 4.285 30 50 FIEA N#Cc1cccc(-c2n[nH]c3c2CN(Cc2cc4ccccc4o2)CC3)c1 19642260 FFQUOLZMQMHHJD-UHFFFAOYSA-N 354.413 4.253 30 50 FIEA Cc1c(NCc2ccc(C#N)cc2OC(F)F)cccc1N1CCOC1=O 753122434 KRFGHTYIQCCBPY-UHFFFAOYSA-N 373.359 4.037 30 50 FIEA O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)c3ccccc3C1=N2 19375104 NUQOCWFNLFYZNC-AZUAARDMSA-N 372.380 4.001 30 50 FIEA O=[N+]([O-])c1ccc(N/N=C2\CCCCCc3ccccc32)c([N+](=O)[O-])c1 43761478 LGFNABMVCHJENV-KNTRCKAVSA-N 354.366 4.436 30 50 FIEA C=CCN1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 95522102 KBVKXYMKLQUHDN-UHFFFAOYSA-N 362.901 4.042 30 50 FIEA CCN1C[C@@H](c2ccccc2)CC2(CCN(c3ncccc3C#N)CC2)C1 96150408 XPDUWLRSZUOANC-NRFANRHFSA-N 360.505 4.049 30 50 FIEA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1[C@H](C)C1CC1 329407014 AZHIINMIFWAHCT-LKUPVBHCSA-N 362.477 4.075 30 50 FIEA COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)C1 426701524 ZNYALEBLCFUZIN-OAHLLOKOSA-N 368.864 4.377 30 50 FIEA C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NC1CCCCC1 6729978 KPPLZQJEMPJDIS-UHFFFAOYSA-N 354.454 4.075 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)N=N1 952883154 UWIPQALSVGGLNY-KRWDZBQOSA-N 352.482 4.355 30 50 FIEA C=CCc1cccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1O 1478074 DLSLPFJDNWPCJO-UDWIEESQSA-N 350.447 4.232 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 6222671 WMZFGLFJCDCHES-CQSZACIVSA-N 351.258 4.455 30 50 FIEA N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 12524210 NIMNLLIEQSFNSB-BDTNDASRSA-N 365.436 4.067 30 50 FIEA Cc1[nH]c2ccc(Cl)cc2c1/C=C1\N=C(c2ccc(C#N)cc2)OC1=O 751524532 WANHLCZBAGHAIM-NVMNQCDNSA-N 361.788 4.346 30 50 FIEA N#CCc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1 2325782369 SUBNIBKGDLCBKI-UHFFFAOYSA-N 354.837 4.090 30 50 FIEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1C1CCCCC1 6192368 BKFGYZNDBKPIBJ-PDDUZAPNSA-N 357.439 4.070 30 50 FIEA C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC 668156 TWOPHYVTYBZLBF-YVLHZVERSA-N 367.376 4.134 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccs1 1070518 PASYHNNQODECSW-UHFFFAOYSA-N 374.466 4.063 30 50 FIEA Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc(C)c1Cl 1422178 MCXVBMXCWDGACL-UHFFFAOYSA-N 367.836 4.329 30 50 FIEA CCC[C@@H]1Cc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)CO1 2221416 RJSIYBVORBSDLC-SSDOTTSWSA-N 367.685 4.170 30 50 FIEA Cc1cccc(NC(=O)c2ccc(CN(C)[C@H](C)c3ccon3)cc2)c1C#N 65380959 AXBHTFAOQUAYJZ-MRXNPFEDSA-N 374.444 4.300 30 50 FIEA CC(C)COC(=O)N1CCC2(CCN(Cc3cccc(C#N)c3)CC2)CC1 72163230 HOUDNUVUXQHCHQ-UHFFFAOYSA-N 369.509 4.029 30 50 FIEA N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(Br)c1 496293401 XAQFZEBROIPGFJ-ULQDDVLXSA-N 373.225 4.073 30 50 FIEA Cc1ccc(S(=O)(=O)c2oc(-c3ccccc3Cl)nc2C#N)cc1 1857800730 LDYWPNDPRDBDDI-UHFFFAOYSA-N 358.806 4.008 30 50 FIEA Cc1c(/C=C2/C[C@H](C)C/C(=C\c3cc(C#N)n(C)c3C)C2=O)cc(C#N)n1C 252513376 ZHYKTPBVCYEFGI-ORIAJCRQSA-N 372.472 4.190 30 50 FIEA CCn1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N 584886028 JKMBAHDBRCPQBA-INIZCTEOSA-N 350.491 4.369 30 50 FIEA C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 1164807 YWUIPFPTTQIPAO-CPNJWEJPSA-N 363.438 4.244 30 50 FIEA C#CCn1/c(=N\C(=O)Nc2cccc(Cl)c2)sc2cc(C)ccc21 625617 SICRIMJXBAJJAQ-DYTRJAOYSA-N 355.850 4.431 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 2069358 KTBFGJQJKHXOEK-GOSISDBHSA-N 357.837 4.037 30 50 FIEA CN(C)c1ccc(/C=N/c2ccc(I)cc2)cc1 2143249 LVSRSUOIQDWULD-GZTJUZNOSA-N 350.203 4.108 30 50 FIEA CS(=O)(=O)Oc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1 8733353 NWLJPDUOTNVGRP-JYRVWZFOSA-N 352.411 4.074 30 50 FIEA C=C(C)COc1c(CN[C@@H](C)c2c(C)nn(CC)c2C)cccc1OC 55245559 BZWIUTMKONBEAY-HNNXBMFYSA-N 357.498 4.334 30 50 FIEA CCCOc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1 244853017 VDSBAWPVVAVEPD-UHFFFAOYSA-N 352.463 4.213 30 50 FIEA CC1(C)CCCc2sc(N/C(O)=N/[C@@H]3CCCc4nc(O)ccc43)nc21 329518526 NOGWSGOHMQBKTM-CYBMUJFWSA-N 372.494 4.261 30 50 FIEA C=CCc1ccc(OCCCOc2ccc(C=O)cc2OC)c(OC)c1 2937488 YVVFGZSEIMYTMO-UHFFFAOYSA-N 356.418 4.093 30 50 FIEA CCn1ncc(Br)c1C(=O)/C=C/c1c(F)cccc1Cl 6556022 MEGOWVPFSTUXJH-VOTSOKGWSA-N 357.610 4.354 30 50 FIEA COc1c(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2)ccc(O)c1O 14762510 RETRVWFVEFCGOK-RMKNXTFCSA-N 354.402 4.217 30 50 FIEA biogenic,in-vitro N#Cc1ccc(-c2cnc(CSc3ncn(-c4ccccc4)n3)o2)cc1 134207289 REQNSLXFEAAHNH-UHFFFAOYSA-N 359.414 4.086 30 50 FIEA FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 6827601 QIROQPWSJUXOJC-UHFFFAOYSA-N 350.049 4.447 30 50 FIEA in-vitro CC[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C#CC(C)(C)O)o1 55090326 ILXGZNQBHBLXQO-OAHLLOKOSA-N 373.880 4.496 30 50 FIEA O=C(/C=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F 253425938 WNOVMFDPWRKUNE-FPYGCLRLSA-N 350.143 4.393 30 50 FIEA CC1(C)CN(CCC(O)=Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 329823179 HOJPIICYBNDBEJ-FUHWJXTLSA-N 361.873 4.079 30 50 FIEA CCOc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 4663831 SNRJMCFONYURHR-FQEVSTJZSA-N 371.436 4.387 30 50 FIEA CCOC(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 71769404 ZFKFZRFKOJXOTQ-FPOVZHCZSA-N 352.386 4.224 30 50 FIEA O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 226488549 JXTBELKWIIAVQB-FEEAIGFJSA-N 362.266 4.141 30 50 FIEA CCOc1ccc(C#N)cc1NC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 253424719 KELKIHCSXHYXGY-UHFFFAOYSA-N 365.393 4.201 30 50 FIEA Cc1nnc2ccc(C(O)=Nc3ccc4c(c3)OC3(CCCCC3)O4)cn12 329031854 XKGZODRZEIKXCD-UHFFFAOYSA-N 364.405 4.106 30 50 FIEA C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 1124196 MDXJGVKOXGYOEY-MHWRWJLKSA-N 370.386 4.386 30 50 FIEA C=CCSc1nnc2c(n1)O[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 4123944 CXQOOSUYYIPBGI-KRWDZBQOSA-N 364.430 4.025 30 50 FIEA O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914651 LXYMGKZOHDWRAO-XJKSGUPXSA-N 369.823 4.483 30 50 FIEA COc1ccc(/C(C)=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 33336125 OXEPDTAVGYGRFC-NCELDCMTSA-N 373.500 4.390 30 50 FIEA C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C 253617060 RSBPOYAJCVXJON-NTHKZWHCSA-N 374.521 4.009 30 50 FIEA CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 1232573 ZREQSHQZNKPOIB-UHFFFAOYSA-N 354.837 4.474 30 50 FIEA Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 2845026 GFEUECMZJGEBGI-XFFZJAGNSA-N 362.248 4.346 30 50 FIEA Cn1c(=O)sc2cc(/C=C/C(=O)c3ccc(OC(F)F)cc3)ccc21 170612962 DCCUIYUMSPYSKY-YCRREMRBSA-N 361.369 4.098 30 50 FIEA CN(C)c1ccc(-c2c(C#N)c(S)nc3c2C(=O)CC(C)(C)C3)cc1 755664 LFVHLFVZWXEORI-UHFFFAOYSA-N 351.475 4.130 30 50 FIEA Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/c2ccccc2)cc1 1241410 USYDFACAWIVBIC-HZHRSRAPSA-N 354.413 4.497 30 50 FIEA Cc1cccc(COc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c1 2978320 KPHJFGJNLXBTEN-GZIVZEMBSA-N 361.232 4.355 30 50 FIEA O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 4953997 WNPGCBDPCABANT-NTEUORMPSA-N 359.794 4.140 30 50 FIEA CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19973816 JMBDCYFECSKFBC-UHFFFAOYSA-N 371.864 4.440 30 50 FIEA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)c1C 221425382 JNFMGFXAGFJJIE-UHFFFAOYSA-N 363.461 4.063 30 50 FIEA CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 4708767 AEDZHHLPXAQOEQ-UHFFFAOYSA-N 368.506 4.147 30 50 FIEA C=CCC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 12282347 JLFVPWJMNCURFE-QGZVFWFLSA-N 366.848 4.484 30 50 FIEA BrC(/C=N\N1CCN(c2ccccc2)CC1)=C\c1ccccc1 15685313 JASQRDIPLVCSQS-PSNBXYPMSA-N 370.294 4.230 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 19313809 MEDLNZLUJOFGRS-XMSQKQJNSA-N 373.452 4.221 30 50 FIEA CC(C)(C#N)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2N)cc1 253419502 YCGCYBKIXCDLQB-UHFFFAOYSA-N 356.429 4.384 30 50 FIEA CCCCOc1ccc(C(=O)C[n+]2c(CC)n(C)c3ccccc32)cc1 1763038 GYFYJNBRVVMARO-UHFFFAOYSA-N 351.470 4.090 30 50 FIEA CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccco2)C1=O 4688342 PQEHEZOKJKFYEA-PTNGSMBKSA-N 355.415 4.132 30 50 FIEA COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 5073010 ZRPREFJVZJSSMN-KRXBUXKQSA-N 362.179 4.262 30 50 FIEA CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2F)c1 5690103 YTOKFKWMRLKBCK-RGVLZGJSSA-N 356.426 4.416 30 50 FIEA COc1c(F)cc(-c2cc(-c3ccccn3)nc(N)c2C#N)cc1Cl 67743236 GNEFWHZLUDBPAF-UHFFFAOYSA-N 354.772 4.066 30 50 FIEA O=C1CCCC2=C1[C@@H](c1cccs1)c1c(nn(-c3ccccc3)c1O)N2 100913875 CPXGTOBNXDXQQG-QGZVFWFLSA-N 363.442 4.204 30 50 FIEA CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 333149547 APJXEPLVUJDTIL-OZWAEMERSA-N 370.493 4.083 30 50 FIEA N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccccc1Br 1217598 AYFSADOTPDVLEU-GOSISDBHSA-N 355.235 4.104 30 50 FIEA C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 5101401 JCSJCSDZQLCSHM-XMHGGMMESA-N 362.429 4.456 30 50 FIEA CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=N/Nc1cccc(C)c1 5446568 JPJUOLIQYULTBU-XQNSMLJCSA-N 360.339 4.204 30 50 FIEA O=C(c1ccccc1)c1cc[n+](CC(=O)c2cccc3ccccc23)cc1 6337940 HCAVVUAPUXCIRD-UHFFFAOYSA-N 352.413 4.241 30 50 FIEA C=C(C)CN(C)C(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 67772598 NLPFGWKXSUNHSF-UHFFFAOYSA-N 366.417 4.064 30 50 FIEA CC(C)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1296931 YKFANCKKNZPYDU-UDWIEESQSA-N 352.463 4.151 30 50 FIEA CC1(C)OB(c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)OC1(C)C 169746623 BYTJDHICJTWRAR-UHFFFAOYSA-N 372.661 4.283 30 50 FIEA in-vitro CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1cccs1 225847864 NXNBJGVESLNGNH-PXNSSMCTSA-N 369.486 4.133 30 50 FIEA N#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(F)cccc2Cl)c1=O 3125677 QPZQZTKIAAMEHK-UHFFFAOYSA-N 356.759 4.367 30 50 FIEA N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2ccc(F)cc2)CC1 20219264 VXBRLXWERQEPHP-UHFFFAOYSA-N 358.420 4.086 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(F)c(Cl)c1 170618185 FDJDEDDOYFCWNK-SCLBCKFNSA-N 362.784 4.391 30 50 FIEA CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 3901720 XKRMVENCJIRIED-FQEVSTJZSA-N 353.462 4.169 30 50 FIEA CSc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 13633110 VSPYOMHNIGPCBZ-KGENOOAVSA-N 359.926 4.214 30 50 FIEA N#CC(c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 63110832 LROWRWKEEDJSIW-UHFFFAOYSA-N 352.133 4.465 30 50 FIEA CC(C)C[C@H](/N=C(\O)OCC1c2ccccc2-c2ccccc21)C(=O)O 82067500 CBPJQFCAFFNICX-IBGZPJMESA-N 353.418 4.229 30 50 FIEA biogenic,in-vitro CC1=C(CNc2cccnc2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 100664602 AXYKPNRZBIGKQG-NRFANRHFSA-N 363.436 4.301 30 50 FIEA CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 3901613 GQQRHQCOHLRROV-IBGZPJMESA-N 353.462 4.026 30 50 FIEA CCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)c(C#N)cn1C 144205784 AKRRISVGKHJITR-UHFFFAOYSA-N 360.413 4.319 30 50 FIEA CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CCCCCC1 170623536 OBHRPLSCBHBCTQ-QGZVFWFLSA-N 372.488 4.030 30 50 FIEA COC(C)(C)CCC[C@](C)(O)C#C[C@H](C)N1CCCC[C@H]1c1cccnc1 248273432 RBNPONNUFQLAEM-RRPUWOKSSA-N 372.553 4.347 30 50 FIEA biogenic,in-vitro CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccccc2C#N)cc1 426547737 ZEUQSJVDDFRALN-UHFFFAOYSA-N 372.472 4.257 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 753390 BSYQJCPYTIQZPF-MRXNPFEDSA-N 366.244 4.134 30 50 FIEA Cc1c(C(=O)/C=C\c2ccc(COc3ccccc3Cl)o2)cnn1C 6527536 BTOOJKXTCYABFX-KTKRTIGZSA-N 356.809 4.450 30 50 FIEA COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 19773295 PVYOLCYYWHVRIF-JJIBRWJFSA-N 359.473 4.000 30 50 FIEA CC(=O)N1CC[C@@H](/N=C(/O)c2sc(CC3CC3)nc2C)c2ccccc21 329957349 LVWFAOXZHDKDJC-MRXNPFEDSA-N 369.490 4.207 30 50 FIEA CCN1C2=CC(=O)C=CC2=S=C1/C=C1/C=Cc2cc(C)ccc2N1CC 334157894 GQVLLUTYHQQBNE-LGMDPLHJSA-N 362.498 4.126 30 50 FIEA C=CCOc1ccccc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 952961363 LVGZAMRMNCPJRQ-HNNXBMFYSA-N 350.418 4.019 30 50 FIEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 1506420148 VZKRWHPKAQUILJ-IBGZPJMESA-N 351.446 4.160 30 50 FIEA CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)CC1 2874737 XEUMHDUORJOPSO-HNNXBMFYSA-N 373.566 4.441 30 50 FIEA C=CCOc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 12053962 GMJDMSYMEHZDAI-LJQANCHMSA-N 354.425 4.107 30 50 FIEA F/C(I)=C(/F)C(F)(C(F)(F)F)C(F)(F)F 95682095 KVLZYXPNBHIUMY-UPHRSURJSA-N 357.941 4.362 30 50 FIEA COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1Cl 25695134 OAGRNAAZLHKKAV-UHFFFAOYSA-N 357.837 4.050 30 50 FIEA CC1(C#N)CCN(Cc2cc(-c3ccsc3)ccc2OCC(=O)O)CC1 215260335 ODZOTZIFKXFFCH-UHFFFAOYSA-N 370.474 4.004 30 50 FIEA CC[C@@H]1CCCN1Cc1ccc(-c2ccc3c(=O)c(C#N)c[nH]c3c2)cc1 1875408361 UJXBMFOMVHIORA-HXUWFJFHSA-N 357.457 4.441 30 50 FIEA C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nnc1-c1ccccc1 125133835 WWRDWMPZBSMRLB-KRWDZBQOSA-N 365.458 4.138 30 50 FIEA OC(=Nc1ccsc1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328603082 DQPKFCQKCCPHRJ-ZWKOTPCHSA-N 353.447 4.359 30 50 FIEA Cc1sc(N=C(O)[C@@H]2CN(C)CCO2)nc1-c1cccc2ccccc12 330263033 VZZMKVJPYXYFGR-KRWDZBQOSA-N 367.474 4.190 30 50 FIEA Cc1cc(C#N)ccc1Cn1ccc(=O)c2cccc(OC(F)(F)F)c21 888092665 QOWRZKLACUOPKB-UHFFFAOYSA-N 358.319 4.129 30 50 FIEA COc1cc(OC)c(N/C(S)=N\Cc2ccc(F)cc2)cc1Cl 13519497 IXEUBJPPVCDTMO-UHFFFAOYSA-N 354.834 4.394 30 50 FIEA N#Cc1ccc(CN2CCC(Cc3ccccc3CO)CC2)c(Cl)c1 2325726782 XWOQNBRROPNVPH-UHFFFAOYSA-N 354.881 4.159 30 50 FIEA N#Cc1nc(COc2cccc(Cl)c2)oc1NCCc1ccccc1 934598 ZNKKHFYTHFUURP-UHFFFAOYSA-N 353.809 4.433 30 50 FIEA O=C1[C@@H]2C3=C(CCCC3)S[C@@H]2N=C(SC[C@H]2CO2)N1c1ccccc1 254839350 GAQNJNHVLDQEGY-XYPHTWIQSA-N 372.515 4.038 30 50 FIEA C[C@@H]1CCCc2cc(-c3noc([C@@H]4C[C@H]4c4cccc(C#N)c4)n3)c(O)nc21 896773211 JMNKKBYVWUMHHT-OAUYIBNBSA-N 372.428 4.420 30 50 FIEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)o1 952964224 ORPNYOVMNRZYMP-LJQANCHMSA-N 369.436 4.299 30 50 FIEA Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCc2cccc(F)c2)c1C 157732602 HBIWCOOWVVOUHE-UHFFFAOYSA-N 362.408 4.071 30 50 FIEA CC[C@@](C)(C#N)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 496056361 UFEYBPWIVZWOPN-INIZCTEOSA-N 353.369 4.414 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccnc1 100152145 JAYJHJDKCRHSKS-GOSISDBHSA-N 356.425 4.019 30 50 FIEA Oc1c(Br)cc(Br)cc1/C=N/c1ccccn1 100389189 DMKCSXSPFSKZOB-FRKPEAEDSA-N 356.017 4.063 30 50 FIEA N#Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1O 189123416 IVKBCDOMSKPQBK-UHFFFAOYSA-N 374.362 4.302 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 2055141 GGWCMBDACIBDRN-SFHVURJKSA-N 359.853 4.261 30 50 FIEA N#Cc1ccccc1-c1ccc([C@H]2c3nc[nH]c3CCN2Cc2ccoc2)o1 72474984 HHFXVUCVJADSGU-QFIPXVFZSA-N 370.412 4.282 30 50 FIEA Cc1ccc(NC(=O)/C(O)=C/C(=O)c2ccccc2)cc1Br 100126696 CXMSVQCZDNRAHM-YBEGLDIGSA-N 360.207 4.021 30 50 FIEA COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC(=C(C)C)C3=O 217638345 IHCHGNVDCGLIDK-AWEZNQCLSA-N 350.370 4.005 30 50 FIEA biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])o1 1304906 FAGDDYKDMJWQIE-SFHVURJKSA-N 353.378 4.410 30 50 FIEA CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 6819819 CDVYWMXSISIVRG-DZGCQCFKSA-N 367.470 4.151 30 50 FIEA CC(C)Oc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)c1 9359822 CCSVHSTZLODRQG-MOPJDAFUSA-N 354.435 4.161 30 50 FIEA CCc1cc(C#N)ccc1NC(=O)N(C)[C@H](C)c1ccc(OC)cc1OC 95500479 NBVOAWRRCAMINF-CQSZACIVSA-N 367.449 4.363 30 50 FIEA O/C(=N/[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)N1CCCCO1 328685470 FQNWXCWCOFDVCM-FQEVSTJZSA-N 352.434 4.042 30 50 FIEA CC1CC(/N=C(/O)CSc2nc3ccccc3nc2N2CCCC2)C1 330087144 STANTPZAIVXIOT-UHFFFAOYSA-N 356.495 4.077 30 50 FIEA CCc1sc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 13600985 YMVUEUPBKDYKJT-WQLSENKSSA-N 362.248 4.418 30 50 FIEA C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccco1 12342956 HWSDPZHPCPHGHX-JJIBRWJFSA-N 357.457 4.391 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 18244315 ACDAJNFYXJJGPE-OAQYLSRUSA-N 361.445 4.245 30 50 FIEA CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)N2CCCC2)o1 227155888 GQQKYNIHXQCTMD-KRWDZBQOSA-N 360.408 4.197 30 50 FIEA C[C@H](c1nc2ccccc2s1)N(C)C(=O)C(=O)/C=C/c1ccc(F)cc1 253432490 KPYJKMTXKMZAPW-CNELAYHGSA-N 368.433 4.237 30 50 FIEA COCC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426420309 YONHDCCSUDPANX-FQEVSTJZSA-N 366.436 4.396 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\O)COc2cc(C)ccc2C(C)C)cc1 2709227 BHSGGPOUYUCNJV-UHFFFAOYSA-N 361.463 4.151 30 50 FIEA C=CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccnc1 134210419 URACEOXCEGYGAW-SFHVURJKSA-N 361.474 4.062 30 50 FIEA C#C[C@@H](/N=C(/O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(C)C 328589312 BIEZYZJOOMZBFF-CQSZACIVSA-N 358.463 4.098 30 50 FIEA C#CCCCC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 757835476 FHGGONNULNZMGM-INIZCTEOSA-N 351.233 4.278 30 50 FIEA C=CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 2602892 UVIHPSCCJNMSOB-UHFFFAOYSA-N 363.457 4.295 30 50 FIEA CCOC(=O)c1ccc[n+]([C@@H](C)C(=O)c2ccc(-c3ccccc3)cc2)c1 2894337 SOMXSHYNFUISMJ-KRWDZBQOSA-N 360.433 4.262 30 50 FIEA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 4750088 PZOFNWUCEWCCMZ-LLVKDONJSA-N 360.866 4.476 30 50 FIEA CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccco2)C(=O)C1 100288118 BNCSYKIUCWOUQF-LJQANCHMSA-N 358.434 4.139 30 50 FIEA Cc1nc2ccc(C(O)=Nc3nc(CN4CCC(C)CC4)cs3)cc2o1 329919500 DISSZQSWXBWLJN-UHFFFAOYSA-N 370.478 4.461 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32C(C)=O)C1 1848443823 BDJNJWJAJKMWQI-DGCLPPDMSA-N 374.521 4.297 30 50 FIEA C=C(C)CN(CC)Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O 11963441 KTVLYQLDXQBGFJ-UHFFFAOYSA-N 361.489 4.151 30 50 FIEA COc1ccc([C@@H]2CC(=O)c3cc(C#N)c4nc5ccccc5n4c3C2)cc1 170624018 VUFJTBMOVOTJQD-HNNXBMFYSA-N 367.408 4.280 30 50 FIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257358475 URXWVWVPMJSAJD-CYRMBFQRSA-N 370.489 4.185 30 50 FIEA CCc1onc(C)c1N=C(O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328607921 XLBYGWBCHQLYHP-DYESRHJHSA-N 353.466 4.436 30 50 FIEA CC[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cc(C)cc(OC)c1 2325829072 ZPYWDGBUBLXHBS-HXUWFJFHSA-N 366.436 4.314 30 50 FIEA N#Cc1cccc(-n2nc(CC3CCCC3)nc2-c2occ3c2CCOC3)c1 2325840297 WXCAMROXRYIVPY-UHFFFAOYSA-N 374.444 4.204 30 50 FIEA CCCC[C@@H](CC)C(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 2325868297 VWTSEKYBEXIHQF-OAQYLSRUSA-N 355.526 4.103 30 50 FIEA C=C(C)COc1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 10372936 XXRPJPHECJWUNB-NRFANRHFSA-N 367.445 4.452 30 50 FIEA CCNC(=S)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 1185575 MATOWCFMWZWUMM-SSDVNMTOSA-N 370.909 4.161 30 50 FIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(F)cc1 5429284 IEZZZOPIUDDGRG-UHFFFAOYSA-N 351.381 4.013 30 50 FIEA N#C[C@@H](C(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 5717146 RWQPIIGFNYJNOP-GFCCVEGCSA-N 366.726 4.174 30 50 FIEA O=c1[nH][nH]c(=O)c2cc(/N=C/c3c4ccccc4cc4ccccc34)ccc12 6694787 WUGQBEQEWVDENP-ZMOGYAJESA-N 365.392 4.273 30 50 FIEA C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1476401703 PBZIKGPNUOILNV-CABCVRRESA-N 369.444 4.221 30 50 FIEA N#Cc1ccccc1-c1ccc(-c2c(-c3ccccc3)ncn2CCO)o1 65406456 AMBWOHIZCNVPDP-UHFFFAOYSA-N 355.397 4.341 30 50 FIEA N#Cc1cc(F)c(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c(F)c1 153817010 XKDMVSFBZOMSJZ-UHFFFAOYSA-N 374.350 4.403 30 50 FIEA CC(C)c1noc2nc(C3CC3)cc(/C(O)=N/[C@@H]3CCCc4c[nH]nc43)c12 330138787 VUINUQDSHIXXDK-CQSZACIVSA-N 365.437 4.329 30 50 FIEA Cc1nc(-c2cccc(N/C=C3/C(=O)Oc4ccccc4C3=O)c2)cs1 825318043 MSVGJZFJSNLRGY-MHWRWJLKSA-N 362.410 4.216 30 50 FIEA C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCc1cccnc1 5323566 WGERHUKJTHQUQT-UHFFFAOYSA-N 355.445 4.440 30 50 FIEA C=CCCC(=O)N1CCC[C@@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 12507314 MCUSBROGMVMAKB-FQEVSTJZSA-N 363.885 4.021 30 50 FIEA CN(C)c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 32609441 GUHLDDUULKLZMJ-JJFYIABZSA-N 351.479 4.082 30 50 FIEA Cc1ccc(S(=O)(=O)N(C#Cc2ccccc2)Cc2ccccc2)cc1 138021170 GVJPCYQNQCNEAO-UHFFFAOYSA-N 361.466 4.195 30 50 FIEA CC1(C)CN(CCC(O)=Nc2ccc(C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1 329823182 HOJPIICYBNDBEJ-SJLPKXTDSA-N 361.873 4.079 30 50 FIEA O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914639 LXYMGKZOHDWRAO-CJNGLKHVSA-N 369.823 4.483 30 50 FIEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1cccc(Cl)c1 6166058 GDLRBJNQLAYMDP-JNJFRLMHSA-N 370.865 4.443 30 50 FIEA N#CC1(C#N)C2=CCCC(=O)C2=C(O)C[C@H]1c1ccc(Br)cc1 108258041 FRBPXBZZBCDFNC-AWEZNQCLSA-N 369.218 4.071 30 50 FIEA CCCCCCCCCCCCC(=O)NC[C@H](O)C[N+](C)(CC)CC 220971411 DCUCRPJXWFRLID-FQEVSTJZSA-O 357.603 4.261 30 50 FIEA O=C1C(=Cc2cc(Br)cc(Cl)c2O)C(=O)c2ccccc21 980640 MFWIZFRZJFALHJ-UHFFFAOYSA-N 363.594 4.271 30 50 FIEA O=[N+]([O-])c1cccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)c1 5763163 QYYXZHZUQIXFAP-RQZCQDPDSA-N 359.798 4.051 30 50 FIEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1 27639153 ZHCXQFHXZFWVRT-BRQXMNQMSA-N 370.489 4.333 30 50 FIEA in-vitro CCCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC 253425363 SQWUTCXETCKJCW-XBXARRHUSA-N 359.353 4.427 30 50 FIEA C#CCCCC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 365249453 YQUTZDHCBVIVFJ-KRWDZBQOSA-N 357.498 4.092 30 50 FIEA Cc1cc(C)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccccc2C)n1 13756501 GTSNQDJIGWUXJG-UHFFFAOYSA-N 359.433 4.122 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccs1 225508764 WQPGCGXUGIAVMW-DNVCBOLYSA-N 356.443 4.076 30 50 FIEA Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c2ccc(F)cc2n1 82087506 HYQFLBJIZIJXNP-UHFFFAOYSA-N 373.431 4.380 30 50 FIEA Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(COc2ccc(F)cc2F)o1 6920998 YQGMEZHFCQDHFR-BQYQJAHWSA-N 372.371 4.383 30 50 FIEA Cc1cc(C(=O)/C=C\c2ccc(COc3ccc(Cl)cc3)o2)n(C)n1 6922177 WLDXYNIBCGFJKM-KTKRTIGZSA-N 356.809 4.450 30 50 FIEA C=C(C)COc1ccccc1NC(=O)N1CCC(c2ccncc2)CC1 95517800 ZEOXRKPIUXSBMR-UHFFFAOYSA-N 351.450 4.448 30 50 FIEA O=[N+]([O-])c1cc(C=Nc2ccc(Br)cn2)c(O)c2ccccc12 252680347 ZKYVIQPYXMVAHE-UHFFFAOYSA-N 372.178 4.362 30 50 FIEA C=CCOc1cccnc1C(=O)Oc1ccc(Cl)cc1Br 775232143 IIHHZNDMWGZWTF-UHFFFAOYSA-N 368.614 4.282 30 50 FIEA C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(C)C 4674136 MDOZTJKGTSGQHR-UHFFFAOYSA-N 361.493 4.150 30 50 FIEA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1 4750555 MFBHQHOUVWZKMI-GFCCVEGCSA-N 368.458 4.158 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 13285544 WYBIRPIDWVDBFP-HXUWFJFHSA-N 353.462 4.170 30 50 FIEA CCCCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2286963 ADDATTWDADRDKT-XQNSMLJCSA-N 363.461 4.414 30 50 FIEA Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 13127110 IBQAPOXXZMNSGA-OAQYLSRUSA-N 356.429 4.276 30 50 FIEA C/C(=C\C(=O)c1ccccc1)Nc1ccc(I)cc1 5561312 BIPSHKXXZJKVOM-VAWYXSNFSA-N 363.198 4.490 30 50 FIEA CC(C)c1ncc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)cn1 71498870 NGRHVNXBBOSAJQ-UHFFFAOYSA-N 369.350 4.200 30 50 FIEA CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@@](C)([Si](C)(C)C)CC[C@@]2(C)C1=O 169834272 ZTBUBWAIEKAZJG-FHWLQOOXSA-N 354.563 4.260 30 50 FIEA N#Cc1ccnc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 170610438 HROWDDYPXGEDNT-UHFFFAOYSA-N 362.003 4.214 30 50 FIEA O=C1/C(=C/c2cc(O)ccc2[N+](=O)[O-])Oc2c(Cl)ccc(Cl)c21 299738261 OSQHPTOGQIKNRB-SDQBBNPISA-N 352.129 4.223 30 50 FIEA C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)c1ccc(F)c(F)c1 332107371 ACOJGDJOGQOJTC-DNVCBOLYSA-N 374.435 4.203 30 50 FIEA CCCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 19879482 FABJQOUJVPTSCX-XQNSMLJCSA-N 371.912 4.281 30 50 FIEA CN(C)/C=C/C(=O)c1cnc(N(C)c2ccc(C(F)(F)F)cc2)s1 43798938 XXQGMOWMWZFSGW-CMDGGOBGSA-N 355.385 4.188 30 50 FIEA Cc1nc(N)sc1-c1cc(-c2cc(F)cc(Cl)c2)c(C#N)c(N)n1 71755324 PYRDUQOLNGYBBZ-UHFFFAOYSA-N 359.817 4.009 30 50 FIEA Cn1nc(C(F)(F)F)c(/C=C/c2nc3ccccc3n2CC#N)c1Cl 253425721 GPMIJPLSFPUXJA-VOTSOKGWSA-N 365.746 4.136 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C[C@@]4(C)C(C(C)=O)=CC[C@H]4[C@H]3CC[C@@H]2C1 257356571 JAZBMNIJZWDVQJ-XHDPOSSNSA-N 372.505 4.265 30 50 FIEA COc1ccccc1C1(C/N=C(/O)N[C@@H]2CCCCC[C@H]2C(=N)O)CCC1 329583248 QNXFRQPLXFTSLC-NVXWUHKLSA-N 373.497 4.105 30 50 FIEA Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C#N)n1 2793053 CIVUJJVNGFAPSP-UHFFFAOYSA-N 360.442 4.055 30 50 FIEA N#C[C@H](C(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 25574768 RWQPIIGFNYJNOP-LBPRGKRZSA-N 366.726 4.174 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(C)ccc1C 625587 DSIVMOSQFGSTFU-FQEVSTJZSA-N 367.489 4.471 30 50 FIEA Cn1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 2768971 UKRBLJSMRSLHJF-LHRNQBEKSA-N 368.506 4.156 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C#N)C1 239025468 BRINQOKNWFCARM-BPLDGKMQSA-N 374.506 4.354 30 50 FIEA C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1 286485246 JLRRNWXAWMYBLJ-ZDUSSCGKSA-N 373.453 4.073 30 50 FIEA N#Cc1cc(F)cc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)c1 670446953 POKQWQJFVDTKSH-OAQYLSRUSA-N 365.452 4.044 30 50 FIEA CCOc1ccc(Nc2oc(COc3ccccc3F)nc2C#N)cc1 934577 DDCOKABJORXMAI-UHFFFAOYSA-N 353.353 4.407 30 50 FIEA Cc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)o1 1142323 TWMGIZJBJOBDMU-CMDGGOBGSA-N 353.159 4.001 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 2977999 LBDCWCIWBUGDLC-ZNFPLGDCSA-N 364.430 4.254 30 50 FIEA COc1ccc(Cl)cc1NC=C1C(=O)CC(c2ccccc2)CC1=O 100565299 IYEVFEBGTIEGNU-UHFFFAOYSA-N 355.821 4.360 30 50 FIEA O=C(COc1ccccc1)C(C(=O)c1ccccc1)=C1Nc2ccccc2N1 100696392 RZPBTTNIISZSCO-UHFFFAOYSA-N 370.408 4.267 30 50 FIEA OC1=NCCN(Cc2cccc(N=C(O)[C@@H]3C[C@H]3C3CCCCC3)c2)C1 329598153 CZGNQQRWYSOOMY-RBUKOAKNSA-N 355.482 4.263 30 50 FIEA N#Cc1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCCC2 4008751 DKWIFLDMEPEEFR-HNNXBMFYSA-N 372.490 4.093 30 50 FIEA biogenic Cc1cc(N(C)C)ccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4737557 IJCVYQFCQXFEOG-FOKLQQMPSA-N 365.506 4.391 30 50 FIEA C#CCCC1(CCC(=O)NCC2(OC)CCC(c3ccccc3)CC2)N=N1 2325894859 UFMOFIQBTAYOSV-UHFFFAOYSA-N 367.493 4.201 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 2976500 MLOAMUCTZIKPNV-UHFFFAOYSA-N 368.502 4.494 30 50 FIEA O=[N+]([O-])c1cccc(/N=C/C=C/C(O)=C/Nc2cccc([N+](=O)[O-])c2)c1 16310589 TZUBHFHQHQNIEQ-HSPZSGPESA-N 354.322 4.273 30 50 FIEA N#Cc1nc(-c2ccccc2)oc1N1CCC(C2(C(F)(F)F)N=N2)CC1 2084443330 NHKMZCNGPGDAPQ-UHFFFAOYSA-N 361.327 4.154 30 50 FIEA C=CCn1c2ccccc2c2nnc(SCC(=O)c3ccc(C)cc3)nc21 1154279 BLBUQQSHNQUETL-UHFFFAOYSA-N 374.469 4.449 30 50 FIEA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)c(OC)c1 1169147 VIURNWKJBJKPEJ-OAQYLSRUSA-N 350.418 4.290 30 50 FIEA CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)ccc1O 3904856 DLKJDCMSUYIMHY-OAQYLSRUSA-N 350.418 4.377 30 50 FIEA O/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 6475206 SHMUXVRDOIWDHZ-WQGFDPGOSA-N 360.413 4.043 30 50 FIEA C=C[C@@H]1CCCCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 225605489 PGWDRSHXGDBLGD-CYBMUJFWSA-N 350.249 4.084 30 50 FIEA C[C@H]1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 328593249 GNPWKQWIORCKPH-YJBOKZPZSA-N 368.440 4.065 30 50 FIEA C=CCc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1O 5668185 IMTKZZBHOQVUNU-RGVLZGJSSA-N 370.865 4.204 30 50 FIEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)c(OC)c1 1169146 VIURNWKJBJKPEJ-NRFANRHFSA-N 350.418 4.290 30 50 FIEA C=CCC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12308324 PVBAUOKLMULUHJ-HXUWFJFHSA-N 355.526 4.031 30 50 FIEA C=CCN1C[C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@]2(CCc2ccccc2)C1 1772708085 ARLNTPCGTHFYOA-UKILVPOCSA-N 374.528 4.188 30 50 FIEA OC(=Nc1cccc2c1OCO2)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 328745158 OFLIIOUXTVIRMC-BJWYYQGGSA-N 350.418 4.371 30 50 FIEA CC(C)(C)OC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 169964287 AGHCJCKEBFQSMP-UHFFFAOYSA-N 369.270 4.486 30 50 FIEA in-vitro CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc(O)c3ccc(Cl)cc3n2)C1(C)C 240333701 FETWSOLLTYUYNX-LZWOXQAQSA-N 369.852 4.403 30 50 FIEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3Cc4ccccc4C3)o2)cc1 1857798716 ASUCREBXFNCBCE-RBUKOAKNSA-N 357.413 4.346 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 753489 SRRGUMADVKEVHZ-MRXNPFEDSA-N 366.244 4.134 30 50 FIEA CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1 8970662 XPCMPMJIYXGPQP-LRTDBIEQSA-N 350.418 4.443 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@H](CC)c2ccnn2C)cc1OCC 63847295 RTZJJCPYOUMAEP-MRXNPFEDSA-N 363.889 4.278 30 50 FIEA CC(C)(C#N)c1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 426414602 KMCGUSDVJBYTME-IFMALSPDSA-N 362.473 4.045 30 50 FIEA C=CCn1c(SCCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 1126297 XVYWBNNNYAKZGB-UHFFFAOYSA-N 366.446 4.374 30 50 FIEA C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccco1 4735943 PVKOFRHVQPOOQB-UHFFFAOYSA-N 365.418 4.066 30 50 FIEA O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 27639121 PBMAXTSZSCARIG-YPINUJMCSA-N 368.473 4.109 30 50 FIEA in-vitro O=C(O)c1cc(/C=C2\Oc3c(Cl)ccc(Cl)c3C2=O)ccc1O 299738269 PKOVZIIRQCMSQE-SDQBBNPISA-N 351.141 4.013 30 50 FIEA CC(C)c1nc(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)cs1 299791493 GOGCMXXEYNWBEV-UHFFFAOYSA-N 368.502 4.132 30 50 FIEA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 709932 GZNGAPVLRSUKMU-NRFANRHFSA-N 369.461 4.432 30 50 FIEA COc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2Cl)cc1 2506445 DBMIXJFZJWZLRK-GIJQJNRQSA-N 354.262 4.323 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 3901617 BGSDYIABOHXRGX-FQEVSTJZSA-N 367.489 4.416 30 50 FIEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccc(N(C)C)cc3)N=C2O)c1 9089944 CTYMNRVYFXAORD-LANLRWRYSA-N 366.490 4.066 30 50 FIEA N#Cc1cc(N2CCc3ccc(Cl)cc32)nc2ccc([N+](=O)[O-])cc12 1458231550 NBVISSKQOFMJHB-UHFFFAOYSA-N 350.765 4.362 30 50 FIEA N#Cc1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 636275 XYYZVUXWQRLXQG-UHFFFAOYSA-N 354.200 4.334 30 50 FIEA C=CCNC(=S)Nc1cccc([C@@H](C)OC(=O)NC2CCCCC2)c1 5570387 HTWLLFPHUBKBLG-CQSZACIVSA-N 361.511 4.279 30 50 FIEA O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253406810 JHMWTPGCGPPLOH-LTKMBJGESA-N 374.348 4.042 30 50 FIEA biogenic C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1O 693974 XEUNFSYONQPCEI-CPNJWEJPSA-N 362.429 4.326 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 2677501 PWCHOFJJEHXEKZ-UHFFFAOYSA-N 374.893 4.448 30 50 FIEA O=C(/C=C/c1ccccc1)C[C@@](O)(c1ccccc1)C(F)(F)C(F)F 2839636 LRSCXAZTJXRCCO-IENJSVCTSA-N 352.327 4.447 30 50 FIEA O=C(OCCCO)c1cccc2c1-c1ccccc1/C2=N/Nc1ccccc1 5737335 PKIYALPBDCNHPW-LVWGJNHUSA-N 372.424 4.071 30 50 FIEA Oc1c(Br)cc(Br)cc1/C=N/c1nccs1 1107572 CACIMWISSBWLGE-LHHJGKSTSA-N 362.046 4.124 30 50 FIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)C1CC1)c1ccnc2ccccc12 2121444 LZEIKPVKWHAHNK-DBJBMQMSSA-N 362.473 4.126 30 50 FIEA COc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1OC 4019446 IZGUIARHAQPSMP-MHWRWJLKSA-N 374.849 4.249 30 50 FIEA COc1cc(/C=C2/Sc3cc(C)ccc3C2=O)ccc1OCCC(=O)O 328599181 QIBPGNPUAOBZPI-WOJGMQOQSA-N 370.426 4.187 30 50 FIEA Cc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 4566233 BCFABEYGNAQAEK-HXUWFJFHSA-N 371.392 4.222 30 50 FIEA O=C1C[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4913873 OVZMSZDGUGXJIL-DGCLKSJQSA-N 357.862 4.406 30 50 FIEA CCOc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1Cl 5960286 VPNZXIMCIBWCNK-YBFXNURJSA-N 358.854 4.168 30 50 FIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1F 7720258 XDLOGEAODJAZID-UHFFFAOYSA-N 351.381 4.013 30 50 FIEA C=CCN1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(C)n2)C1 65462775 WHYQEJXFQYLXTD-IBGZPJMESA-N 358.489 4.428 30 50 FIEA Cc1nn(C)c(C)c1N=C(O)[C@H](C)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 328639322 BYLYHNFVDBONKJ-PWIZWCRZSA-N 364.493 4.334 30 50 FIEA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(CCCC#N)n1 1875286660 ZSIJKIKXCGGYIA-VIFPVBQESA-N 370.634 4.472 30 50 FIEA N#Cc1ccc(Nc2nc(C3(c4ccccc4)CCNCC3)cs2)cc1 2356139702 IALOZWSQXJHDGE-UHFFFAOYSA-N 360.486 4.428 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 2974908 OBWGNBIEVKRNEB-UHFFFAOYSA-N 372.465 4.324 30 50 FIEA Cc1c(/N=C/c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C 12372086 SFKAWDFUODXKKF-OEAKJJBVSA-N 357.413 4.094 30 50 FIEA C=C1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)O 27640078 VKEJXDXJUFQESA-DLMPNJEASA-N 350.499 4.238 30 50 FIEA in-vitro C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccs1 970268 CJVDVYSATULFKA-UHFFFAOYSA-N 374.466 4.063 30 50 FIEA COc1ccc(/C=C/C(=O)c2ccn(C)n2)cc1COc1ccc(F)cc1 6925537 VIUXWJANVQHRKD-YCRREMRBSA-N 366.392 4.043 30 50 FIEA C(#Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19287416 OHWUJBUNOHWYHZ-UHFFFAOYSA-N 366.508 4.445 30 50 FIEA C=C1c2ccccc2C(=O)N1CC(O)=Nc1cc(Cl)c(Cl)cc1O 328591392 BLZHFZWVPCISSY-UHFFFAOYSA-N 363.200 4.414 30 50 FIEA CCOc1ccc(Br)c(/C=C2\N=C(SC)SC2=O)c1 1168982 RLVHCLQHKJOZSW-XFFZJAGNSA-N 358.282 4.181 30 50 FIEA C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1OC 5023484 OHALVWCCHJXMFB-AQTBWJFISA-N 366.442 4.152 30 50 FIEA Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)n1 8743789 LINVUFLTQHGQJC-FQEVSTJZSA-N 370.408 4.173 30 50 FIEA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257347996 AIBWHDYZKNWYQQ-CYRMBFQRSA-N 354.490 4.453 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1cccs1 252481487 CMZNMHNXJCJBHN-FXAWDEMLSA-N 370.470 4.466 30 50 FIEA CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 253501313 UYNAMKNNUDDKNG-JDZQGBBBSA-N 372.505 4.217 30 50 FIEA CCCCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1[N+](=O)[O-] 19806056 RYQYZXJZFRJYGF-UHFFFAOYSA-N 356.451 4.394 30 50 FIEA N#Cc1c(N)n(-c2ccc(N3CCCCC3)cc2)c2nc3ccccc3nc12 636348 LAIXJEBGHVVMNJ-UHFFFAOYSA-N 368.444 4.018 30 50 FIEA COc1ccc(C(=O)/C=C/c2ccc(OC)c3cccc(O)c23)cc1OC 4027262 LISOUMITXJIWNK-JXMROGBWSA-N 364.397 4.467 30 50 FIEA biogenic COc1ccc(-c2[nH]/c(=N\N=C\c3ccc(F)cc3)sc2C)c(F)c1 4528522 XKCFGRBALANJKH-UFFVCSGVSA-N 359.401 4.273 30 50 FIEA Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CCC2 20607092 CDWSRAILICCONT-UHFFFAOYSA-N 366.471 4.188 30 50 FIEA OCC#Cc1ccc(-c2nccn2-c2cccc(-c3cscn3)c2)s1 71750121 SXIPOVHADOAADR-UHFFFAOYSA-N 363.467 4.068 30 50 FIEA Cc1ccc(CN2CCN(/N=C\c3ccc(Cl)cc3Cl)CC2)cc1 22107662 WNDIXGVPUOWMQF-XKZIYDEJSA-N 362.304 4.454 30 50 FIEA N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 72140407 VXEHQFOXOYWDHP-LJQANCHMSA-N 361.445 4.004 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(OC)c1 170615341 IJGOEWYYVDPYCC-UNMCSNQZSA-N 364.441 4.323 30 50 FIEA Cc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)c1 191236366 AGGLODLNGGTACY-UHFFFAOYSA-N 354.837 4.204 30 50 FIEA O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 4016499 AFQFTGMILSTZMM-IZZDOVSWSA-N 362.341 4.336 30 50 FIEA O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1cccc2ccccc12 4159519 YDSJYRGHGMNYHW-VZMFNRANSA-N 359.454 4.004 30 50 FIEA COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1 426716866 KGUVYHYKGVNGSX-SFHVURJKSA-N 354.837 4.130 30 50 FIEA O=C1C(=Cc2cc(Cl)c(O)c(Br)c2)C(=O)c2ccccc21 1143861 FWSAWCQMBZMYTH-UHFFFAOYSA-N 363.594 4.271 30 50 FIEA Cn1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 2768969 UKRBLJSMRSLHJF-GPAKFWEMSA-N 368.506 4.156 30 50 FIEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 4915066 KDSIJVSMINDVOZ-OAHLLOKOSA-N 371.477 4.119 30 50 FIEA O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1)c1ccccc1 9090148 OOSJFLCUJDXWFR-LJQANCHMSA-N 374.371 4.004 30 50 FIEA CCN1/C(=C/C=Nc2ccccc2)C(C)(C)c2cc(S(=O)(=O)O)ccc21 334160118 DZZLKLFMSFKOPT-BWJCRUAASA-N 370.474 4.337 30 50 FIEA C=CCn1c(S[C@@H](C)COC)nc2cc(-c3ccccc3)sc2c1=O 463250789 OQQXEEGATYYWNO-ZDUSSCGKSA-N 372.515 4.438 30 50 FIEA N#Cc1ccccc1N1CCC(CN[C@@H]2CCCNc3ccccc32)CC1 2325734267 QFCWLLCNBFWQMZ-JOCHJYFZSA-N 360.505 4.311 30 50 FIEA O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 816229 IULQJSLODVDDNP-JSGCOSHPSA-N 357.862 4.406 30 50 FIEA Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/n3cnnc3)cc2)c1 2878690 LXDHRTNRRIHMKJ-ZMOGYAJESA-N 364.449 4.050 30 50 FIEA COc1ccc([C@@H]2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)cc1 170611157 HSQOTHZCJBRKNY-QGZVFWFLSA-N 373.374 4.082 30 50 FIEA O=C1C(=CNc2ncc(C(F)(F)F)cc2Cl)C(=O)c2ccccc21 2561544 BKNKTYLSRBLBHR-UHFFFAOYSA-N 352.699 4.129 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(F)c(Cl)c1 170618187 FDJDEDDOYFCWNK-FZKQIMNGSA-N 362.784 4.391 30 50 FIEA O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3c2O/C(=C\c2ccco2)C3=O)O1 253406813 JHMWTPGCGPPLOH-PMFHANACSA-N 374.348 4.042 30 50 FIEA biogenic O=C1/C(=C/c2cccc(O)c2[N+](=O)[O-])Oc2c(Cl)ccc(Cl)c21 299738236 LWDGUAVWGIVHBF-WDZFZDKYSA-N 352.129 4.223 30 50 FIEA Cc1ccc(NC(=O)/C(O)=C/C(=O)c2ccc(Br)cc2)cc1 100330912 DGYHZZAPFSGQHX-YBEGLDIGSA-N 360.207 4.021 30 50 FIEA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 257358314 STFBFHOUSNLMSV-OGDMVHCZSA-N 374.521 4.057 30 50 FIEA C=C(C)COc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCC 952987208 KQYAPOGGKDMSGE-MSOLQXFVSA-N 372.509 4.303 30 50 FIEA C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1476401704 PBZIKGPNUOILNV-GJZGRUSLSA-N 369.444 4.221 30 50 FIEA C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 2866634 VVDIDBARMSXGAI-UHFFFAOYSA-N 354.431 4.081 30 50 FIEA CC(C)(O)C#Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 2940775 QWIFGGJAVOEYKH-UHFFFAOYSA-N 369.464 4.328 30 50 FIEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2 100261347 FPZQRRGQILMESK-HRAATJIYSA-N 358.913 4.371 30 50 FIEA O=C(C(=NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 257347873 XPODGHDVKKAUQP-UHFFFAOYSA-N 357.369 4.301 30 50 FIEA CCOCCOc1ccc(Br)cc1/C=C/c1cc(C#N)ccn1 328593128 DQJDLTDBNKPGFU-HWKANZROSA-N 373.250 4.301 30 50 FIEA CC1(C)C(O)=Nc2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 328901270 YWPFRHVHFZIFPF-FXAWDEMLSA-N 373.456 4.478 30 50 FIEA C=CCn1c(CN(C)Cc2ccoc2)nnc1SCc1cccc(F)c1 12209364 QWGPTXBFNQRROI-UHFFFAOYSA-N 372.469 4.121 30 50 FIEA COc1ccc2cc([C@H](C#N)OC(=O)C[C@@H]3O[C@H]3c3ccccc3)ccc2c1 64859055 NZOVBSWOWQLAJG-FUDKSRODSA-N 373.408 4.486 30 50 FIEA in-vitro C#CCCC1(CCC(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)N=N1 952883268 YGXBPPSQSNJJHZ-ZWKOTPCHSA-N 353.466 4.047 30 50 FIEA C=CCNC(=S)NNC(=S)N[C@H](C)CCCCCCCCCCC 100731879 XPDYXQKVBYSDFJ-MRXNPFEDSA-N 372.648 4.325 30 50 FIEA CCOC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(C#N)cc1 1857678848 BKAQRILOUQJQAN-WMTXJRDZSA-N 374.484 4.087 30 50 FIEA N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2 538159 LUALIOATIOESLM-UHFFFAOYSA-N 365.502 4.008 30 50 FIEA biogenic,world COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl 628391 GVKGMJCOYFQOJF-KRWDZBQOSA-N 359.853 4.117 30 50 FIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)C1CC1)c1ccnc2ccccc12 3999660 LZEIKPVKWHAHNK-PMBVPFKGSA-N 362.473 4.126 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19536301 HWFUXTLTPARKHS-GOSISDBHSA-N 359.853 4.260 30 50 FIEA CCCCCCCCCCCCSCS(=O)(=O)C[C@@H](C)C(N)=O 101012912 NTLBJIBTDDHWPY-MRXNPFEDSA-N 365.605 4.134 30 50 FIEA CCCCS(=O)(=O)OC[C@H]1CC2c3ccccc3C1c1ccccc12 3127995 MIFSDCJEELJDTH-TVRCVXMWSA-N 356.487 4.430 30 50 FIEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 65500770 QANSDQLPDVAMGL-UHFFFAOYSA-N 365.436 4.004 30 50 FIEA C=CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccnc1 134210518 URACEOXCEGYGAW-GOSISDBHSA-N 361.474 4.062 30 50 FIEA N#CC1CC2(C1)CC(C(=O)N1CCCCc3c(Br)cccc31)C2 2325735299 YCFSYGSFKRNRDS-UHFFFAOYSA-N 373.294 4.448 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 18244476 FECKSWVFXCBBCD-NRFANRHFSA-N 361.445 4.245 30 50 FIEA COCc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OC 36313449 OKNVUEFOCZVELY-UHFFFAOYSA-N 351.450 4.016 30 50 FIEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)CC2CCCCC2)C1 1857722298 GIZQIFFODDZIJV-IBGZPJMESA-N 370.493 4.155 30 50 FIEA COc1cc2sc(NC(=O)c3ccc(C#N)cc3F)nc2cc1Cl 1123432 PVJLLQDCXXSUEA-UHFFFAOYSA-N 361.785 4.221 30 50 FIEA COc1ccc2cc([C@@H](C#N)OC(=O)C[C@H]3O[C@H]3c3ccccc3)ccc2c1 64859050 NZOVBSWOWQLAJG-XPNTWCBSSA-N 373.408 4.486 30 50 FIEA in-vitro CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1cccc(C(=O)O)c1 100310083 OIUGRIXNIFLTPJ-NIPZQEADSA-N 352.415 4.009 30 50 FIEA O=C1C[C@@H](c2cccnc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253411453 OPZDVWWNEOGZOK-BEWREHSGSA-N 369.376 4.139 30 50 FIEA biogenic O=S(=O)(NN=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 17076022 GRFBRNXLASCHAU-UHFFFAOYSA-N 370.861 4.071 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 2801316 KUKLHSJZZPQRCM-HXUWFJFHSA-N 369.461 4.006 30 50 FIEA Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 5711303 CSFWEHJLMRTVCG-LBPRGKRZSA-N 361.228 4.425 30 50 FIEA C[C@H]1CCCc2cc(-c3noc([C@@H]4C[C@H]4c4cccc(C#N)c4)n3)c(O)nc21 896773210 JMNKKBYVWUMHHT-AFAVFJNCSA-N 372.428 4.420 30 50 FIEA N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F 2766686 BPPKYAWKHFCYBX-NEPJUHHUSA-N 371.160 4.178 30 50 FIEA CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1 19923525 ONBOMEZRDSAXBT-KXBFYZLASA-N 359.466 4.196 30 50 FIEA C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O 257357510 OKHAOBQKCCIRLO-MZXGMOTRSA-N 354.490 4.171 30 50 FIEA Cc1nc2cc(C/N=C(/O)[C@@H](C3CC3)N3CCCC3)ccc2n1C1CC1 328795455 UBUMUNUYMZIRJY-HXUWFJFHSA-N 352.482 4.011 30 50 FIEA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 426474410 ULHYLLQXPFHNOW-HXUWFJFHSA-N 366.436 4.396 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2cccc(Br)c2)cc1OC 870854 VMTGRNVAVZWHCI-CMDGGOBGSA-N 362.223 4.275 30 50 FIEA N#Cc1c(Nc2ccc(Cl)cc2)[nH]c(=O)c(C#N)c1Nc1ccccc1 1233157 RKZJUAAFAYLSDT-UHFFFAOYSA-N 361.792 4.259 30 50 FIEA CCCCCCCCCCCCSCS(=O)(=O)C[C@H](C)C(N)=O 101012908 NTLBJIBTDDHWPY-INIZCTEOSA-N 365.605 4.134 30 50 FIEA C[C@H](Oc1ccc(Br)cc1Cl)c1noc(C(C)(C)C#N)n1 1875316916 INXKXGCVPQMVJU-QMMMGPOBSA-N 370.634 4.427 30 50 FIEA O=C1N/C(=N/N=C/c2ccccc2)SC1(c1ccccc1)c1ccccc1 5649877 GQZWIZWRCBWZIN-XQNSMLJCSA-N 371.465 4.183 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccc(OC)c1 170615343 IJGOEWYYVDPYCC-IRLDBZIGSA-N 364.441 4.323 30 50 FIEA Cc1ccc(S(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 238937408 VCZZLDGDXOWJEP-UHFFFAOYSA-N 358.806 4.008 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)N=N1 1875368702 LJQIWGTXTSFIEA-JKSUJKDBSA-N 363.465 4.061 30 50 FIEA O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Br)cc1 996010 OVCSZEGZHXKXTC-UHFFFAOYSA-N 370.246 4.461 30 50 FIEA C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 12343895 GJBJQTJTQXDYTD-UHFFFAOYSA-N 368.452 4.241 30 50 FIEA CC(C)(C)c1n[nH]cc1CNc1ccc(OCC(F)(F)F)c(C#N)c1 170646598 LLXIBQLDOAJRBC-UHFFFAOYSA-N 352.360 4.132 30 50 FIEA COc1ccc(C(=O)c2cc(C#N)c3c4ccccc4ccn23)cc1OC 629173 CTECLKKOUDNLQC-UHFFFAOYSA-N 356.381 4.212 30 50 FIEA C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OC)SC1=S 1156708 XRYFQQIFLBUQJC-IZZDOVSWSA-N 360.287 4.389 30 50 FIEA C=CCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 2846795 NKPUYYLGXXALQC-UHFFFAOYSA-N 373.275 4.426 30 50 FIEA O=S1(=O)CC/C(=N\Nc2ccc(Cl)c(Cl)c2)c2ccsc21 5670771 BGCAVNMAXWRIFS-SFQUDFHCSA-N 361.275 4.049 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 17952398 BKWNGEHPXNXBFU-HXUWFJFHSA-N 355.393 4.470 30 50 FIEA CCc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1[N+](=O)[O-] 19733017 XSAZCOUOGDJIBM-UHFFFAOYSA-N 356.451 4.394 30 50 FIEA CC(C)c1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 32594002 FNGIWAUAIYIYKH-UHFFFAOYSA-N 363.421 4.104 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCC(OCc3ccccn3)CC2)o1 215200527 CARBSGDWBLZBEM-UHFFFAOYSA-N 373.456 4.394 30 50 FIEA C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857524445 AIBWHDYZKNWYQQ-LLFXUEIYSA-N 354.490 4.453 30 50 FIEA CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(C)cc1 1151001 TYXFBZHBPQCEQG-WOJGMQOQSA-N 351.402 4.289 30 50 FIEA COC(=O)/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(Br)cc1 100622689 RUFMFEVAJGZGNF-WJDWOHSUSA-N 374.234 4.109 30 50 FIEA CC1(C)OB(c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C 170003873 OEGTULROYSZGRO-UHFFFAOYSA-N 357.240 4.045 30 50 FIEA O/C(=N/[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)[C@@H]1CCOC1 329619920 FHDFIIQFJBUANS-MEBBXXQBSA-N 363.255 4.301 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccsc1 15446568 JGRLZEOGHJGDJL-HKUYNNGSSA-N 356.443 4.076 30 50 FIEA O=C1[C@@H]2C3=C(CCCC3)S[C@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 25666910 GAQNJNHVLDQEGY-IAOVAPTHSA-N 372.515 4.038 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)cc1 170615256 XPXUHHMUVNCJKW-RBBKRZOGSA-N 364.441 4.323 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)cc1 170615259 XPXUHHMUVNCJKW-IRLDBZIGSA-N 364.441 4.323 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(C(C)(C)C)cc1 4179315 SWLRHSGCJAMKIK-SFHVURJKSA-N 350.466 4.234 30 50 FIEA Oc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 5292219 LXVYHLJBTVCHQI-FRKPEAEDSA-N 371.028 4.373 30 50 FIEA O=[N+]([O-])c1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1Cl 6062201 YAQJTZQUJGVZTK-RQZCQDPDSA-N 359.798 4.051 30 50 FIEA N#Cc1cc(-c2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cs1 1875283281 MIIIHOWZHDQRNU-UHFFFAOYSA-N 358.288 4.055 30 50 FIEA Cc1nc(C2CCN(Cc3ccc(Oc4ccccc4C#N)cc3)CC2)n[nH]1 2325737780 HQOXTIJOCLLKRK-UHFFFAOYSA-N 373.460 4.157 30 50 FIEA Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Nc3ccccc3C(=O)N2O)o1 651707 RGOSQAVXTWDXKA-SFHVURJKSA-N 365.345 4.119 30 50 FIEA N#Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)c1 952971380 JXIGWXULHTVYCT-GOSISDBHSA-N 352.390 4.093 30 50 FIEA C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12440082 GZQKUIYIFOFVHO-FQEVSTJZSA-N 372.553 4.319 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccncc1F 25694760 WVJYDKPSPJHLMX-UHFFFAOYSA-N 368.452 4.194 30 50 FIEA C=Cc1cccc(-c2cc(-c3cccc(NC(C)=O)c3)nc(N)c2C#N)c1 71405871 CJGAQSSNRUGEPD-UHFFFAOYSA-N 354.413 4.471 30 50 FIEA CCn1nc(C)c(N=C(O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c1C 328605599 ODDYMGWJXYRAMQ-DENIHFKCSA-N 366.509 4.410 30 50 FIEA N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 470890381 VLDKVLBWMZZHFD-GOSISDBHSA-N 368.396 4.067 30 50 FIEA Cc1cccnc1N/N=C/c1cccc(OCc2ccccc2C(=O)O)c1 1875322403 RIUIQDKYFZMFJM-YDZHTSKRSA-N 361.401 4.113 30 50 FIEA COC(=O)c1cc(C(F)(F)F)nc(SCc2cccs2)c1C#N 2765446 WSEURPDRSXMVNN-UHFFFAOYSA-N 358.366 4.112 30 50 FIEA O=C1C[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4986794 LVBPMQKJMOFEGK-OCCSQVGLSA-N 357.862 4.406 30 50 FIEA C[C@H]1Cc2cc(NC(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2O1 96153093 QVYJWMVGMJUWQV-INIZCTEOSA-N 361.445 4.099 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239025580 BUXWHIOIEROXSL-BPLDGKMQSA-N 372.490 4.130 30 50 FIEA C[C@H](C#N)NC(=O)c1c2c(nc3ccccc13)C(=Cc1ccccc1)CC2 1857532276 QFBQLXDSHZHVQU-OAHLLOKOSA-N 353.425 4.363 30 50 FIEA Cc1ccc(C(=O)/C=C\Nc2ccc([N+](=O)[O-])cc2Br)cc1 18068389 PUSARRHXBPYNEK-HJWRWDBZSA-N 361.195 4.474 30 50 FIEA C#CCCC1(CCC(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)N=N1 2325894903 WVILNCIZKGVLHO-QUCCMNQESA-N 366.509 4.026 30 50 FIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 9329915 HHIWUSKQFVOMBL-SFHVURJKSA-N 353.393 4.204 30 50 FIEA COc1ccccc1[C@@H](C#N)NC(=O)c1cc2ccccc2c2cccnc12 225532907 YSZMRJAKBFNCRQ-HXUWFJFHSA-N 367.408 4.391 30 50 FIEA C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 1777074 ZKZFYCMBZBXUKS-UHFFFAOYSA-N 352.342 4.170 30 50 FIEA biogenic O=C1CCCC2=C1[C@@H](c1ccccc1)N=C(Nc1nc3ccccc3s1)N2 5905688 CWFGBBULVRSUQG-LJQANCHMSA-N 374.469 4.416 30 50 FIEA O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 6827671 WWQLXRAKBJVNCC-UHFFFAOYSA-N 362.122 4.309 30 50 FIEA in-vitro C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc(CSc2ncccn2)o1 55054467 VMWUTZONQRIBKD-HUUCEWRRSA-N 355.463 4.097 30 50 FIEA CC(C)(C#N)c1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1 225421201 WJLYQUYFLYJLRV-UHFFFAOYSA-N 359.473 4.365 30 50 FIEA CC(C)(C)OC(=O)N1C[C@@H](B2OC(C)(C)C(C)(C)O2)[C@@H](c2ccccc2)C1 1875390124 LUHYBBAVLIOPFP-IAGOWNOFSA-N 373.302 4.483 30 50 FIEA N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCCCC2 663175 NWDQODLYJSSPHK-UHFFFAOYSA-N 355.438 4.092 30 50 FIEA COc1ccc2cc([C@@H](C#N)OC(=O)C[C@@H]3O[C@H]3c3ccccc3)ccc2c1 64859054 NZOVBSWOWQLAJG-XJUOHMSHSA-N 373.408 4.486 30 50 FIEA in-vitro CC(=O)OC/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]12C 257358598 VGCBLRRJSISBJV-QVZXYZDMSA-N 370.489 4.187 30 50 FIEA N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 1056769 OZSFHFDAGGAYSQ-UHFFFAOYSA-N 361.810 4.312 30 50 FIEA COc1ccc(/C=C/C(=O)c2c(O)c(OC)c3occc3c2OC)cc1 4996305 KMSLPPGLPWHDIL-RMKNXTFCSA-N 354.358 4.060 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1C 170618150 XYBGQJOSFVHKFD-DENIHFKCSA-N 364.441 4.323 30 50 FIEA O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2ccc(Cl)cc21 299738274 PUAQPPGLBZKHAE-NSIKDUERSA-N 351.583 4.424 30 50 FIEA Cc1nnc(-c2ccc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)cc2)o1 332425877 XYNBWQFSFIRDHO-UHFFFAOYSA-N 366.465 4.274 30 50 FIEA N#Cc1ccc(C2CCN(CCCc3cncc4ccccc34)CC2)nc1 2325761149 OKIGEUGZSNIIRX-UHFFFAOYSA-N 356.473 4.314 30 50 FIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4914581 UADDQDCHQPKKMB-PKOBYXMFSA-N 363.432 4.392 30 50 FIEA CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4916166 SDEWVBYMLBVFSO-JKSUJKDBSA-N 351.471 4.315 30 50 FIEA N#C[C@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@]12CCCCO2 328594600 XNPDKRVBZARFDB-RHSMWYFYSA-N 353.249 4.061 30 50 FIEA O=C(OCC#Cc1ccc(Cl)cc1)c1cccnc1Oc1cccnc1 2325728434 MWJJBAJDVOQVKR-UHFFFAOYSA-N 364.788 4.131 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1cccc(O)c1)Nc1ccccc1-2 2882526 YREKFZRIGLNMSO-QGZVFWFLSA-N 364.430 4.025 30 50 FIEA N/C(=N\OC(=O)c1ccccc1-c1ccccc1)c1ccc(Cl)cc1 5013630 YETNLZLNPMUCND-UHFFFAOYSA-N 350.805 4.484 30 50 FIEA COc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1 5690101 MGTJWDJEKYQBNN-UDWIEESQSA-N 368.462 4.286 30 50 FIEA COc1ccccc1-c1nnc(S)n1/N=C/C(Cl)=C/c1ccccc1 6166188 GEGXSMYWFCSESX-BHFKYQIGSA-N 370.865 4.356 30 50 FIEA CC1(C)CC(NC(=O)c2cccc(-c3ccccc3C#N)c2)CC(C)(C)N1 426380688 RZNVLBDBCJOMLT-UHFFFAOYSA-N 361.489 4.264 30 50 FIEA CN(C[C@H]1CC12CCN(Cc1ccc(C(C)(C)C#N)cc1)CC2)C1CC1 2325742088 HIKAXHRVKLWLQC-HXUWFJFHSA-N 351.538 4.184 30 50 FIEA COc1cc(-c2nc(SC)c(C#N)c3c2CCCC3)cc(OC)c1OC 622694 WTTCMKSYYQOUMY-UHFFFAOYSA-N 370.474 4.247 30 50 FIEA Cc1cccc(N/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)c1 4748020 JVBNKUDREMAOTO-UHFFFAOYSA-N 368.433 4.382 30 50 FIEA COC(=O)c1cccc2c(/C=N/Nc3cc(C)c4ccccc4n3)c[nH]c12 4982148 AGRUDARTOADNBD-FSJBWODESA-N 358.401 4.257 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6624006 LFSRETZWVUHKLB-ICWWQFESSA-N 356.506 4.245 30 50 FIEA O=C(O)[C@@H](CCCC/N=C(\O)c1ccccc1)/N=C(\O)C1CCCCC1 82056148 KDSGHTVZNSRDPL-QGZVFWFLSA-N 360.454 4.152 30 50 FIEA biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@H]3C[C@H]3O[C@@]32C1 253501315 UYNAMKNNUDDKNG-MXINJKJASA-N 372.505 4.217 30 50 FIEA COCCN(CC1CC1)C(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1 426612184 ARHZCCKJCMYDFU-UHFFFAOYSA-N 368.864 4.377 30 50 FIEA CC(C)[C@@H]1CC[C@@H](C)C2=C1N[C@H](c1ccccc1)C(C#N)(C#N)C2(C#N)C#N 245325135 CNUAJBSOIJZAHJ-PLMTUMEDSA-N 369.472 4.354 30 50 FIEA O/C(=N/C[C@@H]1CCC2(CCCCC2)O1)c1cncc(Br)c1 330051496 NOVVUSMMBPPLPP-AWEZNQCLSA-N 353.260 4.031 30 50 FIEA N#Cc1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCCC2 4008752 DKWIFLDMEPEEFR-OAHLLOKOSA-N 372.490 4.093 30 50 FIEA biogenic CC(C)=C1Oc2c(ccc3c2[C@H](C2=Cc4ccccc4OC2)CC(=O)O3)C1=O 217594576 AULFWHLJIYYAGR-INIZCTEOSA-N 374.392 4.424 30 50 FIEA biogenic COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1 1857799202 QXRHFLKMYZLEIX-VQTJNVASSA-N 371.440 4.389 30 50 FIEA N#CCCCn1cc(C(=O)N(Cc2ccccn2)C2CC2)c2ccccc21 443923198 BXFXIJIAWPQRPW-UHFFFAOYSA-N 358.445 4.145 30 50 FIEA Cc1cc(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3)o2)n(C)n1 6527850 VLFLKOWXZFIIAL-HJWRWDBZSA-N 356.809 4.450 30 50 FIEA CCN(CC)c1ccc2c(-c3ccc(N(C)C)cc3)c(C#N)c(=O)oc2c1 257540343 DTHUYRBSWZIJGD-UHFFFAOYSA-N 361.445 4.244 30 50 FIEA OC1=NCCc2ccc(C/N=C(/O)[C@@H]3C[C@]34CCCc3ccccc34)cc21 329415716 FZJPXVHJPFDUPV-REWPJTCUSA-N 360.457 4.298 30 50 FIEA C=CCc1ccccc1OCc1nnc(NC(=O)Cc2ccccc2)s1 1132660 GLIOAFXYULIIEF-UHFFFAOYSA-N 365.458 4.027 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 257347486 JAZBMNIJZWDVQJ-AMCLZQFZSA-N 372.505 4.265 30 50 FIEA Cc1n[nH]cc1CN(C)C(=O)c1ccc(-c2nc(C(C)C)ccc2C#N)cc1 584900486 WKWARCKPDHFYAL-UHFFFAOYSA-N 373.460 4.047 30 50 FIEA C[C@@H](Oc1ccc(Br)cc1Cl)c1noc(CCCC#N)n1 1875286659 ZSIJKIKXCGGYIA-SECBINFHSA-N 370.634 4.472 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1ccsc1 241707073 QMKFDBKMTHRKHQ-ICSRJNTNSA-N 370.470 4.466 30 50 FIEA CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 1228767 UORBQNOYOKPNNI-VAWYXSNFSA-N 374.234 4.434 30 50 FIEA O=C(OCC#CCSc1nc2ccccc2o1)c1ccccc1Cl 2832354 PIBOYOIVYSCBCA-UHFFFAOYSA-N 357.818 4.434 30 50 FIEA Fc1cccc(Cl)c1/C=N/N1CCN(Cc2ccccc2Cl)CC1 22078529 CWFNGNVLNADUPX-WSDLNYQXSA-N 366.267 4.284 30 50 FIEA CCCCCCCC[N+](C)(C)CCOCCOC(=O)c1ccccc1 101012327 KMBSLSMZJWUYCA-UHFFFAOYSA-N 350.523 4.297 30 50 FIEA CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc2c(c1)OCCO2 225416729 FBLUFKCVGVRYSE-PKOBYXMFSA-N 364.445 4.113 30 50 FIEA CNc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 253417969 PLCIOAIKEDVROK-UHFFFAOYSA-N 357.413 4.431 30 50 FIEA COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@@H](C#N)C2)CCOCC1 952874968 UHPFCDSXJQQBJN-NVXWUHKLSA-N 362.901 4.069 30 50 FIEA C=CCOc1ccccc1C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 952961364 LVGZAMRMNCPJRQ-OAHLLOKOSA-N 350.418 4.019 30 50 FIEA N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1 2325702012 OLMCLKLKKBREEI-QGZVFWFLSA-N 362.820 4.225 30 50 FIEA CC(C)(C)C(=O)/C=C1\Nc2ccc([N+](=O)[O-])cc2N\C1=C/C(=O)C(C)(C)C 4185729 SGMIDMNQMIWJEL-XCMCHEKJSA-N 371.437 4.430 30 50 FIEA O=C1CC(C(F)(F)C(F)(F)C(F)(F)C(F)F)=Nc2ccccc2N1 8022180 ULJXHTHPIYIYSL-UHFFFAOYSA-N 360.204 4.272 30 50 FIEA N#Cc1c(-c2ccccc2)nc(SCc2ccccc2Cl)[nH]c1=O 8762228 XHGLXNUIRLXTQE-UHFFFAOYSA-N 353.834 4.254 30 50 FIEA Cc1ccc(C(=O)/C=C/c2ccccc2NS(=O)(=O)c2ccccc2)o1 253392596 IBTQJOAPCBKZJS-OUKQBFOZSA-N 367.426 4.285 30 50 FIEA C=CCN(CC=C)C(=O)Nc1ccc(C)c(NC(=O)N(CC=C)CC=C)c1 4775408 CLLVAYOJIXSSDC-UHFFFAOYSA-N 368.481 4.407 30 50 FIEA N#Cc1c(-c2cccnc2)cc(-c2cc(F)cc(C(F)(F)F)c2)nc1N 71730655 LTTJFIHXISIAGN-UHFFFAOYSA-N 358.298 4.422 30 50 FIEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc1 77300883 LLNJDPNPZQDIQM-GOSISDBHSA-N 374.419 4.107 30 50 FIEA CSc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)s1 253426874 JABFZMPJRWWTLQ-ZZXKWVIFSA-N 363.479 4.342 30 50 FIEA C[C@@]1(O)CCCN(/C(O)=N/CCc2cccc(-c3ccccc3)c2)CC1 329919052 RKASFRQMIHNOAB-JOCHJYFZSA-N 352.478 4.047 30 50 FIEA CCOC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 868686 AAFKGCXEJHOAEY-UHFFFAOYSA-N 372.393 4.356 30 50 FIEA C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccs1 2382468 JFXVZDYLEPYRPY-UHFFFAOYSA-N 370.503 4.232 30 50 FIEA CCOc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 4663830 SNRJMCFONYURHR-HXUWFJFHSA-N 371.436 4.387 30 50 FIEA Cc1[nH]c(=O)c(C(=O)/C=C/c2cccc(Br)c2)c2c1CCCC2 5285825 NDTKCWCFIKNVTH-MDZDMXLPSA-N 372.262 4.221 30 50 FIEA O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 6222666 WMZFGLFJCDCHES-AWEZNQCLSA-N 351.258 4.455 30 50 FIEA COc1ccc(N/C=C\C(=O)c2ccc(Br)cc2)cc1OC 100812104 DTBUGEQIDMRDPR-KTKRTIGZSA-N 362.223 4.275 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2C)C[C@@H]1c1cccc(OC)c1 252490138 KJZJYJQMNNCEKP-IRLDBZIGSA-N 364.441 4.323 30 50 FIEA COc1ccc(Cl)cc1-c1nnc(SCc2ccc(F)c(C#N)c2)[nH]1 158125996 GBLSXWOCECAGHX-UHFFFAOYSA-N 374.828 4.437 30 50 FIEA O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(S)nnc2C2CCCCC2)c1 245241695 NBBDKPIFSBNFRC-UHFFFAOYSA-N 365.846 4.058 30 50 FIEA aggregator Cc1ccsc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1Cc1ccco1 1119836 WQWRMVGBEWQRSB-OAHLLOKOSA-N 369.398 4.021 30 50 FIEA CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CCC2 3901590 SPWYVLPGBAENLZ-FQEVSTJZSA-N 369.461 4.006 30 50 FIEA N#Cc1cc(NCCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1C#N 4629035 YWSGDECWWYBFRC-UHFFFAOYSA-N 350.422 4.357 30 50 FIEA CCc1nc2n(n1)CCC[C@H]2/N=C(/O)c1ccccc1NC1CCCCC1 329217427 QCUWFPMGHVCOJW-GOSISDBHSA-N 367.497 4.425 30 50 FIEA C#CCCC1(CCC(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)N=N1 2325894904 WVILNCIZKGVLHO-UYAOXDASSA-N 366.509 4.026 30 50 FIEA N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(c2ccccc2)CC1 4857034 NGRYPLXROFIEHC-CMDGGOBGSA-N 362.458 4.105 30 50 FIEA C[C@@H]1c2cc(F)cc(F)c2CCN1c1ccc(C(F)(F)F)c(C#N)n1 409721124 PUGXXQSRRFUTQG-SECBINFHSA-N 353.294 4.374 30 50 FIEA CCN1C2=CC(=O)C=CC2=S=C1C=C1C=Cc2cc(C)ccc2N1CC 1857524692 GQVLLUTYHQQBNE-UHFFFAOYSA-N 362.498 4.126 30 50 FIEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(C)cc1 846452 GYCHJUWVOHWZAV-KRWDZBQOSA-N 364.426 4.094 30 50 FIEA O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4409854 JSSSSIRXRJUGAL-UHFFFAOYSA-N 362.345 4.368 30 50 FIEA CC/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 5498893 BGCYYGKFKHBHTG-LSDHQDQOSA-N 357.885 4.285 30 50 FIEA COc1cncc(/C=C/CCOC(=O)[C@@H](C)Sc2ccc(C#N)cc2)c1 2325754652 DGDAGCQAZKCXBB-SJDLMVEWSA-N 368.458 4.089 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 13285543 WYBIRPIDWVDBFP-FQEVSTJZSA-N 353.462 4.170 30 50 FIEA S=C(N/N=C/c1ccccc1OCc1ccccc1)NC1CCCCC1 19913128 IMVWDBRNKPWSHL-PXLXIMEGSA-N 367.518 4.396 30 50 FIEA N#Cc1c(-c2cccc(OCc3ccccn3)c2)cc(-c2cc[nH]c2)nc1N 71775879 PRGYDBPEAMURPR-UHFFFAOYSA-N 367.412 4.172 30 50 FIEA Cc1cccc([C@@H]2CCCCN2/C(O)=N/[C@@H]2CCO[C@@]3(CCOC3)C2)c1C 329105783 DCVCCFGAXUGPTG-CBQOVEMMSA-N 372.509 4.083 30 50 FIEA N#Cc1cc(F)cc(C(=O)Nc2ccc([C@H](O)c3cccs3)cc2)c1 952971386 JXIGWXULHTVYCT-SFHVURJKSA-N 352.390 4.093 30 50 FIEA O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 4953320 LYGCLAKJQNOYKY-GDNBJRDFSA-N 356.428 4.499 30 50 FIEA C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1895705 YPCRSMLTWMGQTH-UHFFFAOYSA-N 363.486 4.080 30 50 FIEA O=C1C[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819524 XXPJQOJDEVEDEU-GDBMZVCRSA-N 351.833 4.344 30 50 FIEA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 5065370 VTRCROFOHZWFOT-ZDUSSCGKSA-N 374.868 4.269 30 50 FIEA C=C(C)CN1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 5613180 OVANJGISVPHSGO-UHFFFAOYSA-N 350.491 4.056 30 50 FIEA CNC(=O)c1ccc(/C=C2/CCSc3ccc(Cl)cc3C2=O)cc1 170651766 QFICMNCTAXCLDK-UVTDQMKNSA-N 357.862 4.462 30 50 FIEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 245309661 FEAUWCGFLYHOEV-ZRBLBEILSA-N 363.457 4.085 30 50 FIEA N#Cc1nc(COc2ccc(Cl)cc2)oc1N1Cc2ccccc2C1 1857799289 VHJPWEBMNOTNAF-UHFFFAOYSA-N 351.793 4.299 30 50 FIEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(c1ccccc1)c1ccccc1 2468958 YONPZOTXVLIQRE-RTWAWAEBSA-N 360.457 4.236 30 50 FIEA Cn1cc(C(=O)N2CCC3(CC2)C[C@@H]3C#N)c2nc(-c3ccccc3)ccc21 2325791219 BSTUZIQDKBODSX-QGZVFWFLSA-N 370.456 4.006 30 50 FIEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 1061675 UJBDBLZFCSNRHQ-INIZCTEOSA-N 361.319 4.194 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(CC)cc1 4678805 KBDJGCGBFLEEKW-FQEVSTJZSA-N 373.452 4.381 30 50 FIEA C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 15007816 HVBAVCIITDOVFJ-UHFFFAOYSA-N 357.475 4.419 30 50 FIEA N#Cc1c(-c2cccnc2)cc(-c2cnn(-c3cccc(Cl)c3)c2)nc1N 71415583 OMRJILTXMFSNKL-UHFFFAOYSA-N 372.819 4.104 30 50 FIEA Sc1nnc(-c2ccccn2)n1/N=C/c1cccc(Oc2ccccc2)c1 5450629 UUXCKGVFTKCCRY-HYARGMPZSA-N 373.441 4.303 30 50 FIEA N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1C(F)(F)F 129357728 MPZNXSHYDWJYLV-SUMWQHHRSA-N 368.305 4.168 30 50 FIEA COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC(=C(C)C)C3=O 217638442 IHCHGNVDCGLIDK-CQSZACIVSA-N 350.370 4.005 30 50 FIEA biogenic N#Cc1ccc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1C(F)(F)F 230183068 MPZNXSHYDWJYLV-DYVFJYSZSA-N 368.305 4.168 30 50 FIEA O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253396004 ASQCYGRPCVMXFF-JQFNYASXSA-N 358.349 4.337 30 50 FIEA biogenic O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1F)c1ccccc1 4312103 XIGUOQIINOUMRE-IBGZPJMESA-N 374.371 4.004 30 50 FIEA N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)cs2)cc1Cl 133506787 WGGBTPOKTYBRLD-UHFFFAOYSA-N 360.748 4.009 30 50 FIEA CC(C)(C#N)CCC(=O)N1CCC(c2ccccc2)(C(F)(F)F)CC1 2325792673 CIIKICPAKFUOFQ-UHFFFAOYSA-N 352.400 4.439 30 50 FIEA CC(C)c1ccc(OCC(=O)Nc2ccccc2C#N)c(Br)c1 639340 JPTXQOQBJXXSJB-UHFFFAOYSA-N 373.250 4.462 30 50 FIEA Oc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2F)n[nH]c1=S 2522425 OCKATSXEOUDLCA-SRZZPIQSSA-N 364.405 4.488 30 50 FIEA Cc1ccc(S(=O)(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 2525327 DLDWUFCUUXXYTB-NRFANRHFSA-N 366.438 4.325 30 50 FIEA in-vitro CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O 59696283 LPDJCYFKKSLKRO-UHFFFAOYSA-N 363.564 4.472 30 50 FIEA biogenic,in-vitro Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(Cl)cc2)n1 154912529 UGOARLDCLIGOET-UHFFFAOYSA-N 372.762 4.236 30 50 FIEA CCOc1cccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)c1O 1478779 KMHOCNOPWMPXOC-VXLYETTFSA-N 374.853 4.248 30 50 FIEA Cc1nc(-c2ccncc2)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 5678685 JEMZGGHXZQOJKA-AATRIKPKSA-N 351.387 4.318 30 50 FIEA O=C1C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)c2ccccc21 1092394 KNKCPVVKTISCDP-UHFFFAOYSA-N 372.336 4.245 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 4285876 HRENWEKCPCNSEY-UHFFFAOYSA-N 365.458 4.115 30 50 FIEA OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccoc2)cc1 65384648 VLOUBUYPXBIODU-UHFFFAOYSA-N 354.409 4.202 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(OC)c1 170615325 KMGWWEBCUHEZAE-HKUYNNGSSA-N 356.443 4.076 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 4728204 KARFZLBAWUDXJD-QGZVFWFLSA-N 359.853 4.117 30 50 FIEA COc1ccc(OC)c(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)c1 6005390 HMIWKSCAJFVHLA-VXLYETTFSA-N 374.853 4.160 30 50 FIEA C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 100549194 GTKXLBOZPDTRNC-WIYYLYMNSA-N 350.487 4.430 30 50 FIEA Cc1ccc2nc(SCCC(=O)N3CCC(C#N)CC3)cc(C)c2c1 219188439 BPDFVBDRWQUVKR-UHFFFAOYSA-N 353.491 4.096 30 50 FIEA C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1 2232548 HZNFZGPPNCRRBX-UHFFFAOYSA-N 373.478 4.231 30 50 FIEA C=CCOc1ccc(/C=C2/SC(=S)N(CC=C)C2=O)cc1OCC 2999465 YJICRXPOKHIXRS-FOWTUZBSSA-N 361.488 4.037 30 50 FIEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 4916035 MUVMMCBVNFXELM-ZBFHGGJFSA-N 367.470 4.151 30 50 FIEA Cc1ccc(C)c(NC(=O)C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1 5681978 ZRRBYYIOLPSPFH-LBPRGKRZSA-N 361.228 4.425 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cn1 65466280 WKDCERUIHSSYGK-UHFFFAOYSA-N 355.445 4.237 30 50 FIEA Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 843410 FQYRTXIAHUWCFJ-UHFFFAOYSA-N 372.380 4.465 30 50 FIEA Cc1cc(C)c(COc2ccc(/C=N/n3c(C)nnc3S)cc2)c(C)c1 2810292 MVBLHQXKSMEMKG-SRZZPIQSSA-N 366.490 4.262 30 50 FIEA C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98092330 ZZWOKVRONYEEBJ-JOCHJYFZSA-N 365.429 4.335 30 50 FIEA Cc1cccc2c1OCC[C@H]2/N=C(/O)c1sc([C@@H]2CCCOC2)nc1C 328973730 ASGALTHCUGQWPY-GDBMZVCRSA-N 372.490 4.482 30 50 FIEA C=CCCc1nc(-c2cc(Br)cc(Br)c2)no1 904912563 LALPXCQISVISJL-UHFFFAOYSA-N 358.033 4.380 30 50 FIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccc(F)cc1 6702965 KIWZWSAGHRAQQK-UHFFFAOYSA-N 366.396 4.404 30 50 FIEA N#CC1(c2ccccc2)CCN(Cc2cc(CN3CCCC3)cs2)CC1 215365419 YXJUWJZTHYWIHQ-UHFFFAOYSA-N 365.546 4.401 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 263609114 URXWVWVPMJSAJD-BSNLUDBSSA-N 370.489 4.185 30 50 FIEA OC(=Nc1ccc(OC2CCCC2)nc1)N1CCC[C@@H]1c1cccnc1 328745840 AJCCVNYZDOPEDL-GOSISDBHSA-N 352.438 4.181 30 50 FIEA OC1=NCCN(Cc2cccc(N=C(O)[C@@H]3C[C@@H]3C3CCCCC3)c2)C1 329598155 CZGNQQRWYSOOMY-RTBURBONSA-N 355.482 4.263 30 50 FIEA COc1cc(NC(C)=C2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 1144350 LYEVECNAZSEFCR-UHFFFAOYSA-N 357.793 4.122 30 50 FIEA Cc1sc2ncn(/N=C/c3cccs3)c(=O)c2c1-c1ccccc1 719396 LXAVCRBSZMDZGO-KEBDBYFISA-N 351.456 4.377 30 50 FIEA COc1cc(/C=C/C(=O)/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1 2549251 VXKNQOUEXUHOLI-KQQUZDAGSA-N 354.402 4.017 30 50 FIEA biogenic O=C(/C(=C/NCc1ccccc1)[N+](=O)[O-])c1ccc(Cl)cc1Cl 4946940 NYKHKNXEFZIDMI-GDNBJRDFSA-N 351.189 4.084 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13285566 DFJBXQKPPLKTCZ-SFHVURJKSA-N 359.853 4.260 30 50 FIEA C=CCN1C(=O)/C(=C\C(Br)=C\c2ccccc2)SC1=S 100469994 PTOYOSJYYHDLPT-TVRQEHKRSA-N 366.305 4.353 30 50 FIEA Cc1nn(C)c(C)c1CC(O)=Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1 330295776 JOYDCYLYABUGMV-UHFFFAOYSA-N 367.497 4.059 30 50 FIEA N#Cc1cnc(NC(=O)Cc2coc3c(Cl)c(Cl)ccc23)s1 1875391459 LGNWMDFDYHPUAU-UHFFFAOYSA-N 352.202 4.249 30 50 FIEA Cc1cnc(C2(NC(=O)Nc3cccc(C#Cc4ccccc4)c3)CCC2)[nH]1 2325854018 KYWDQNCMASDOES-UHFFFAOYSA-N 370.456 4.319 30 50 FIEA CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 648321 FZMDGEDWEZUFGG-UHFFFAOYSA-N 350.447 4.143 30 50 FIEA Cn1cnc2c(C(O)=Nc3sc4c(c3C#N)CCCCCC4)ccnc21 329325393 IPGQBACCCJALLU-UHFFFAOYSA-N 365.462 4.197 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)cn1 65395514 RGEVFSZERMWNJI-OAQYLSRUSA-N 370.456 4.181 30 50 FIEA C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 229810594 RUMSCAMATHWSDW-HUUCEWRRSA-N 369.962 4.220 30 50 FIEA C#CCCC1(CCC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)N=N1 952880911 MQZMKPLVEQJBPL-CQSZACIVSA-N 361.848 4.368 30 50 FIEA O=C1C(Br)=CC(=NSc2ccccc2)C=C1Br 947106 HHRNOMXVFLEJHZ-UHFFFAOYSA-N 373.069 4.275 30 50 FIEA CCCCO/C(O)=N/c1nnc(SCCOc2ccc(C)cc2)s1 2845145 ZUPIRRBDLYTOKF-UHFFFAOYSA-N 367.496 4.380 30 50 FIEA aggregator C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2981233 FZFDQJRQJQKZLW-UHFFFAOYSA-N 364.536 4.388 30 50 FIEA N#Cc1c(SCCN2CCCC2)nc2c(c1C(F)(F)F)CCCCC2 4395161 QSTWVXUOKJCLHV-UHFFFAOYSA-N 369.456 4.429 30 50 FIEA N#Cc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 4806374 FFRTXVZSHXRLHD-UHFFFAOYSA-N 358.426 4.319 30 50 FIEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 4312412 IAZYXWVAQHNSQK-HNNXBMFYSA-N 362.212 4.202 30 50 FIEA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 257349137 LSGSISOIJKSALZ-KIWLDRLMSA-N 372.505 4.123 30 50 FIEA CCc1ccc(N=C(O)C(=O)N[C@](C)(CC)c2nccs2)cc1CC 328596588 GAIBGFFZPUIOJU-LJQANCHMSA-N 359.495 4.298 30 50 FIEA CCc1nc([C@H](C)/N=C(/O)c2nc(C)sc2Br)cs1 330653377 JKMMFWSZSZRAJX-LURJTMIESA-N 360.302 4.299 30 50 FIEA O/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 857396 SHMUXVRDOIWDHZ-YXUUZYBBSA-N 360.413 4.043 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(F)cc1 170618309 NIDNJSQKQDNMFY-RXVVDRJESA-N 368.404 4.154 30 50 FIEA C=CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@]2(CCc2ccccc2)C1 1772708084 ARLNTPCGTHFYOA-NOZRDPDXSA-N 374.528 4.188 30 50 FIEA CCOC(=O)c1ccc(NC2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)cc1 1210616 FZZGZRUTJUNJHR-QGZVFWFLSA-N 365.429 4.314 30 50 FIEA COc1ccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)cc1 12524674 JJQSERSIPAHMRG-UHFFFAOYSA-N 372.471 4.004 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 22108315 XTTXOJFKPVNGKM-BQYQJAHWSA-N 362.769 4.074 30 50 FIEA C=CCN(Cc1ccccc1C)C(=O)c1cccc(Oc2ncccn2)c1 55359384 IMUVMZIUTQZEBK-UHFFFAOYSA-N 359.429 4.406 30 50 FIEA CC1(C)C[C@@H](c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)CCO1 71774827 GVPBMQKEEWXZBP-JTQLQIEISA-N 361.367 4.292 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)cc1 170615257 XPXUHHMUVNCJKW-UNMCSNQZSA-N 364.441 4.323 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2F)C[C@@H]1c1cccc(F)c1 252505101 VOKGLIQXLMCDQT-XLIONFOSSA-N 356.368 4.284 30 50 FIEA CCCCOc1ccccc1N/C(=C/C(=O)c1ccc(C)cc1)C(=O)O 3623633 MOMAVBDWZFQOLR-NBVRZTHBSA-N 353.418 4.437 30 50 FIEA C=CCN(Cc1ccc(O)c(Cl)c1)Cc1nc(-c2ccccc2)no1 55154378 KDZASOHXQMEXLF-UHFFFAOYSA-N 355.825 4.284 30 50 FIEA N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)CCCCC2 663178 AAIJUJQOJGMHIF-UHFFFAOYSA-N 355.438 4.092 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 753487 SRRGUMADVKEVHZ-INIZCTEOSA-N 366.244 4.134 30 50 FIEA C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 12717265 PFWTZZIBWGJPNT-FQEVSTJZSA-N 362.473 4.415 30 50 FIEA COc1ccc2cc([C@H](C#N)OC(=O)C[C@H]3O[C@@H]3c3ccccc3)ccc2c1 101351100 NZOVBSWOWQLAJG-FUPPJEDESA-N 373.408 4.486 30 50 FIEA in-vitro CCCCCCCCNC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 195842960 SDPRJQXNBPRPBM-UHFFFAOYSA-N 374.334 4.468 30 50 FIEA Cc1c(CCC(C)C)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N 633693 BGNCILCTONINMR-UHFFFAOYSA-N 362.477 4.093 30 50 FIEA N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 3355980 ARNSAENSAUCAFC-UHFFFAOYSA-N 350.809 4.369 30 50 FIEA Cn1cc(C(=O)N2CCC3(CC2)C[C@H]3C#N)c2nc(-c3ccccc3)ccc21 2325791218 BSTUZIQDKBODSX-KRWDZBQOSA-N 370.456 4.006 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCC(Oc3cccnc3)CC2)o1 215589183 UWHDMWULGSBWLO-UHFFFAOYSA-N 359.429 4.257 30 50 FIEA Cc1nc([C@@H]2CCCOC2)sc1/C(O)=N/[C@@H](C)c1nc2ccccc2[nH]1 330306064 RCKITEWOJNBMLT-QWHCGFSZSA-N 370.478 4.288 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)N=N1 2325894916 XYLZKYYGPFSUAU-UHFFFAOYSA-N 352.482 4.213 30 50 FIEA Cc1c(C#N)c2ncnc(NCCc3ccccc3)c2n1-c1ccccc1 653313 YCUMNILZEXYFCF-UHFFFAOYSA-N 353.429 4.255 30 50 FIEA CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)C(=O)C1 1190865 XRPCPBCTFAGAJR-FQEVSTJZSA-N 366.457 4.141 30 50 FIEA O=C1C[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 6819471 IFAPKWWCPZTYGB-RHSMWYFYSA-N 369.823 4.483 30 50 FIEA CCSc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 20617972 YXFZVOZVDPYLJO-DJKKODMXSA-N 362.842 4.098 30 50 FIEA C#CCCC1(CCC(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)N=N1 2325894901 WVILNCIZKGVLHO-AZUAARDMSA-N 366.509 4.026 30 50 FIEA N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCC(N)=O 756927 LAAVTSNZEORGSM-UHFFFAOYSA-N 369.446 4.065 30 50 FIEA C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 216828593 BYFNNZYQPRZCEZ-UHFFFAOYSA-N 358.821 4.416 30 50 FIEA N#Cc1cc(Cl)ccc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 301150546 JXPFUPKUGCUXOT-UHFFFAOYSA-N 370.836 4.101 30 50 FIEA C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2C(C)C 65532985 SHJWDATYCFBMPW-MRXNPFEDSA-N 369.465 4.210 30 50 FIEA C=CCc1cc(CN2CCCC[C@@H]2CCn2ccnc2C)ccc1OC 1506421829 MBBOSNPYCVHIDP-OAQYLSRUSA-N 353.510 4.373 30 50 FIEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N(CCO)C2CCCCC2)c1 299772395 VTZNADPBPOFZTR-UHFFFAOYSA-N 362.473 4.301 30 50 FIEA CCN(Cc1ccccc1)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N 1079404 UYGMENFYURFJPE-UHFFFAOYSA-N 373.909 4.364 30 50 FIEA COc1ccc(/C(C)=N/OC(=O)c2ccc(OC(C)C)cc2)cc1OC 1116461 YGSZFENUBNJVOR-KGENOOAVSA-N 357.406 4.072 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1cccs1 1118051 YCJVXBXUNFUQPF-QGZVFWFLSA-N 365.410 4.120 30 50 FIEA O=C1C[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4986799 LVBPMQKJMOFEGK-JSGCOSHPSA-N 357.862 4.406 30 50 FIEA C=CCc1cccc2cc(C(=O)Nc3ccccc3SC)c(=O)oc12 6520272 HYOUDCVKPKPAIH-UHFFFAOYSA-N 351.427 4.496 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CC)c2ccnn2C)cn1 65488466 JHUHHNQXEHJYJC-LJQANCHMSA-N 372.476 4.333 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71721495 GXCLPUDDHWPZCP-HNNXBMFYSA-N 354.400 4.321 30 50 FIEA C=CCOc1ccccc1NC(=O)N1CCC(CCn2ccnc2C)CC1 299756358 GRHLEPYWPSXZLY-UHFFFAOYSA-N 368.481 4.091 30 50 FIEA N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)nc1O 1017885 SVSYJTYGPLVUOZ-UHFFFAOYSA-N 367.202 4.461 30 50 FIEA in-vivo C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1C#N 170661190 XPARLMUMUMCCDC-CYBMUJFWSA-N 373.378 4.452 30 50 FIEA CSc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 243914717 BJXHKJWEHKPVJK-UHFFFAOYSA-N 353.535 4.177 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2C)C[C@H]1c1cccc(OC)c1 252490139 KJZJYJQMNNCEKP-RBBKRZOGSA-N 364.441 4.323 30 50 FIEA O=C1c2ccccc2C(=O)N1c1c(F)c(F)c(C(F)(F)F)c(F)c1F 2049935 NHBZKLVJMLIHJT-UHFFFAOYSA-N 363.188 4.062 30 50 FIEA biogenic CC1=C(CNc2cccnc2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 100664604 AXYKPNRZBIGKQG-OAQYLSRUSA-N 363.436 4.301 30 50 FIEA O=C1C[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4913866 OVZMSZDGUGXJIL-YPMHNXCESA-N 357.862 4.406 30 50 FIEA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(C#N)cc2)cn1 65433169 DZGIKLXFQCMPDW-UHFFFAOYSA-N 351.413 4.236 30 50 FIEA Cc1nnc(-c2ccccc2-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)o1 426739652 GJDWTDJEYUPKRH-MRXNPFEDSA-N 372.428 4.088 30 50 FIEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2cccc(F)c2F)CC1 2325806809 HYAPNDVIINNSHF-BTYIYWSLSA-N 365.464 4.414 30 50 FIEA CC(/C=N/n1c(COc2ccccc2)n[nH]c1=S)=C\c1ccccc1 5828306 VDGBZRCQDJMNNV-HIBZGYDWSA-N 350.447 4.457 30 50 FIEA C=CCOc1c(Cl)cc(CN(C)Cc2nncn2C(C)C)cc1Cl 55341546 XXBAHJBCNUBHTB-UHFFFAOYSA-N 369.296 4.363 30 50 FIEA C=CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 85221259 LRSIYGFZZWFAAI-FQEVSTJZSA-N 365.429 4.335 30 50 FIEA CO[C@]1(c2ccccc2)C(=O)C(=O)C(c2ccccc2)=C1c1ccccc1 6380367 GTNJSTNEJXADIH-DEOSSOPVSA-N 354.405 4.291 30 50 FIEA C=C(C)COc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 10372937 XXRPJPHECJWUNB-OAQYLSRUSA-N 367.445 4.452 30 50 FIEA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253502264 VTHUYJIXSMGYOQ-PTROGCMSSA-N 372.505 4.409 30 50 FIEA Cc1cc2sc(N=C(O)N3CCCC[C@H]3c3cc[nH]n3)nc2cc1F 329244389 PUJHBDARCPXHAZ-AWEZNQCLSA-N 359.430 4.240 30 50 FIEA C=CCCC(=O)N1CCOc2c(cc(-c3cccc(OC)c3)cc2OC)C1 12167145 OSYNBCRWEUZYTB-UHFFFAOYSA-N 367.445 4.058 30 50 FIEA Cc1cccc(NC(=O)CCN2CCC(C#N)(c3ccccc3)CC2)c1C 243932316 BUTZAXITTGNDQF-UHFFFAOYSA-N 361.489 4.189 30 50 FIEA COc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1OC 1385453 FPOQMLWYZCRFLL-LLVKDONJSA-N 356.731 4.426 30 50 FIEA C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 4842448 PMNJFUBZBBLWSJ-UHFFFAOYSA-N 350.187 4.405 30 50 FIEA Clc1nnc(N/N=C/c2ccccc2Br)c2ccccc12 18158040 JFTDEIWIWOAZIM-GIJQJNRQSA-N 361.630 4.492 30 50 FIEA C=CCN(Cc1ccccn1)C(=O)CCC(=O)Nc1ccccc1C(C)C 55343945 MHOKZSAPNFDGIJ-UHFFFAOYSA-N 365.477 4.139 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccs1 225508798 WQPGCGXUGIAVMW-KXBFYZLASA-N 356.443 4.076 30 50 FIEA C=CCOc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 491781763 DVOFLZJLCFSIPC-UHFFFAOYSA-N 369.486 4.017 30 50 FIEA C=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12440080 GZQKUIYIFOFVHO-HXUWFJFHSA-N 372.553 4.319 30 50 FIEA C=CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@]2(CCc2ccccc2)C1 1772708079 ARLNTPCGTHFYOA-ILBGXUMGSA-N 374.528 4.188 30 50 FIEA O=C1Nc2ccc(Br)cc2/C1=C/C(=O)c1ccc(Cl)cc1 1225602 ZZGDMVXOYDGPAI-JYRVWZFOSA-N 362.610 4.321 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(COc2c(F)cccc2F)on1 11816049 VZNMZPJGXVZBLH-ZIAGYGMSSA-N 374.387 4.267 30 50 FIEA C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C 39944341 LFSRETZWVUHKLB-OREVEWEOSA-N 356.506 4.245 30 50 FIEA COc1ccc(C(=O)C[n+]2ccc(-c3cccc4ccccc34)nc2)cc1 6127730 HEUJGLMGAAWRND-UHFFFAOYSA-N 355.417 4.081 30 50 FIEA CSc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 19791010 BJXHKJWEHKPVJK-PXLXIMEGSA-N 353.535 4.177 30 50 FIEA N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O 19862631 CTESJDQKVOEUOY-UHFFFAOYSA-N 360.394 4.206 30 50 FIEA in-vitro C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O 257357509 OKHAOBQKCCIRLO-MHWFVTDTSA-N 354.490 4.171 30 50 FIEA Cc1cscc1N=C(O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328636675 OEWBBWRDENFKEE-HNNXBMFYSA-N 373.526 4.030 30 50 FIEA COc1ccccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C 894737 CLQCZECFRXQNDT-UHFFFAOYSA-N 369.490 4.040 30 50 FIEA C#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2239979 FFWFOALDARYMCW-UHFFFAOYSA-N 352.484 4.051 30 50 FIEA C=CCC(CC=C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2866945 KEVIWJIUTLFFFZ-UHFFFAOYSA-N 350.418 4.415 30 50 FIEA N#C[C@H](OC(=O)c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 638423 PKBJDNVYTOWVMW-FQEVSTJZSA-N 357.365 4.327 30 50 FIEA N#Cc1c(-c2cccnc2)cc(-c2ccc(N3CCCCC3)cc2)nc1N 71479407 FEYFPIIBHYXPDG-UHFFFAOYSA-N 355.445 4.255 30 50 FIEA Cc1cnc(Br)c(N/C(O)=N/CCc2ccc(F)cc2C)c1 328594025 JOMCKIODCSHKOY-UHFFFAOYSA-N 366.234 4.169 30 50 FIEA CC[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C)c2C#N)C1 2764433 MFQYJZKDQKBSHL-AWEZNQCLSA-N 354.475 4.461 30 50 FIEA C[C@H](/N=C(/O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2)c1cccs1 328654748 XTTFQWPDIRIYCA-YOEHRIQHSA-N 372.538 4.215 30 50 FIEA O/C(=N/C1CCN(c2nccs2)CC1)c1cccc(OC2CCCC2)c1 328808972 MJPQOLKRZWNOKI-UHFFFAOYSA-N 371.506 4.438 30 50 FIEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4913836 IPSJCTKSRSXKHW-ZBFHGGJFSA-N 367.470 4.151 30 50 FIEA CN(/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccccc1 6700689 BEKVDSHORVQRTP-VHEBQXMUSA-N 356.472 4.020 30 50 FIEA CC(C)n1cc(Br)cc1C(=O)O[C@@H](C#N)C1CCCCC1 170592027 BQJHEYNEMWMVHZ-HNNXBMFYSA-N 353.260 4.461 30 50 FIEA COc1ccc(/C(C)=N/N=c2/[nH]c(-c3ccc(OC)cc3)cs2)cc1 43761304 DXTVTDRTTBLKFC-FYJGNVAPSA-N 353.447 4.085 30 50 FIEA CC(O)=Nc1ccc(N2C(=O)[C@@H](C)N(C3CCC3)C2=O)c(C(F)(F)F)c1 328594714 ADQATTKLMRPKRR-SECBINFHSA-N 369.343 4.023 30 50 FIEA CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 333149529 APJXEPLVUJDTIL-IMYXXEESSA-N 370.493 4.083 30 50 FIEA N#Cc1ccc(Oc2ccc(NC(=O)c3ncoc3[C@H]3CCCN3)cc2)cc1 2325866036 YWLHZJRHZIJLMI-GOSISDBHSA-N 374.400 4.015 30 50 FIEA Cc1cc(C(F)(F)F)nc(SCc2ccc([N+](=O)[O-])cc2)c1C#N 2759421 UDIWOQBBOVGVAB-UHFFFAOYSA-N 353.325 4.481 30 50 FIEA C=CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 2984689 QXUPBDOJPZFKST-UHFFFAOYSA-N 369.214 4.477 30 50 FIEA N#Cc1c(NC(=O)c2cc(-c3ccccc3O)on2)sc2c1CCCC2 4881219 ZPLHMTVRUNWYFV-UHFFFAOYSA-N 365.414 4.111 30 50 FIEA CC(C)c1ccc(CSc2nnc(SC[C@H](O)CC#N)s2)cc1 240894824 IQEUJFNFEAIQDP-CQSZACIVSA-N 365.549 4.320 30 50 FIEA C=C(C)CN(CC)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 12438158 PUHSNPCBMICXQC-QFIPXVFZSA-N 374.569 4.089 30 50 FIEA C[C@H]1CCc2sc(NC(=O)c3ccc(Br)o3)c(C#N)c2C1 758767 OWQFUCMFTFGVKR-QMMMGPOBSA-N 365.252 4.352 30 50 FIEA C=C(C)COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7499525 PNQTVOVMGNAWCR-UHFFFAOYSA-N 370.880 4.257 30 50 FIEA Cc1nc(O)c2ccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc2n1 889708149 PHTLQJZWESKDEJ-UHFFFAOYSA-N 366.446 4.127 30 50 FIEA C=C(C)COc1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1OCC 1704299149 OTFYZGJRWHBAKU-FGZHOGPDSA-N 359.510 4.167 30 50 FIEA COc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1OC 4737886 LQCHZZWYZJJXGF-LSHDLFTRSA-N 368.462 4.033 30 50 FIEA CCSC1=N/C(=C\c2cc(Br)ccc2OC)C(=O)S1 4755455 ULVIDFJRHFVFDD-YFHOEESVSA-N 358.282 4.181 30 50 FIEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccc(Cl)cc1Cl 4913678 SZJYSIIBXHMEBY-UHFFFAOYSA-N 357.624 4.319 30 50 FIEA C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 101087895 UOLFMAZZLSIHFB-CCEZHUSRSA-N 356.853 4.375 30 50 FIEA Cc1nc2cc(NC(=O)N3CCc4c(CC#N)cccc4C3)ccc2s1 860901275 OMRJENMFROPQGL-UHFFFAOYSA-N 362.458 4.261 30 50 FIEA C=CCCC(=O)N1CCC[C@](Cc2cccc(Cl)c2)(C(=O)OCC)C1 12507312 MCUSBROGMVMAKB-HXUWFJFHSA-N 363.885 4.021 30 50 FIEA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N1CC(=O)C(c3nc4ccccc4s3)=C1N)C2 229673286 IAFCXJFNXLMOMA-SAZGQGMLSA-N 367.518 4.023 30 50 FIEA C=CCn1nc(C)c(C(=O)Nc2ccc([C@H](O)c3cccs3)cc2)c1C 952961446 YBULXPRLGAKNAK-IBGZPJMESA-N 367.474 4.081 30 50 FIEA CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 18244314 ACDAJNFYXJJGPE-NRFANRHFSA-N 361.445 4.245 30 50 FIEA Cc1ccccc1CS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N 227155072 UYYFWUZBKIJADE-UHFFFAOYSA-N 372.833 4.149 30 50 FIEA COc1cc(C(=O)/C=C/c2ccnc(Cl)c2Cl)cc(OC)c1OC 253421065 OROFGKIWKOEKRO-SNAWJCMRSA-N 368.216 4.310 30 50 FIEA C[C@H](/N=C(/O)Cc1csc2nccn12)c1nc(C2CCCCC2)no1 330161088 SQHNHHSYKDRCQA-NSHDSACASA-N 359.455 4.087 30 50 FIEA N#Cc1ccc(-c2ccc(C(=O)NCCSC3CCCCC3)cc2)cn1 426661971 GQVXRZVIBIXCFN-UHFFFAOYSA-N 365.502 4.416 30 50 FIEA CCCOc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1 5738395 AAKVBSBUAPZSCC-UDWIEESQSA-N 356.426 4.418 30 50 FIEA C=CCOc1ccccc1CN1CCOc2ccc([C@H](O)C(C)C)cc2C1 11840031 PRHIXRYFPQPEBZ-HSZRJFAPSA-N 367.489 4.335 30 50 FIEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 22339488 UOMMIYDQPWPBRB-RTWAWAEBSA-N 372.553 4.365 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 257356692 JRCRFBRVIWOWLF-IRKUSMHASA-N 374.521 4.297 30 50 FIEA O=C1CC/C(=N\Nc2c(F)cc(Cl)cc2F)c2cc(F)ccc2N1 2325736604 WTGLEEVROFBLJG-HYARGMPZSA-N 353.731 4.306 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 71422218 NUJTXYJJEMKTJF-OAHLLOKOSA-N 354.400 4.321 30 50 FIEA CN(CCc1ccccc1C#N)Cc1c(O)nc2ccccc2c1Cl 2325822925 WZPHXNHLNAAOAG-UHFFFAOYSA-N 351.837 4.140 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1 629699 AOPYGJZYZFSWNA-UHFFFAOYSA-N 365.473 4.365 30 50 FIEA CN1CCc2nc(SCc3cccc(C(F)(F)F)c3)c(C#N)cc2C1 19597366 XQBUTMHXTGXNPP-UHFFFAOYSA-N 363.408 4.252 30 50 FIEA C=CCc1cc(CNCc2cn3c(C)c(C)sc3n2)ccc1OCC 55414049 UXSANZNBJMNIKF-UHFFFAOYSA-N 355.507 4.430 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCC(CCn3cccn3)CC2)o1 77286214 OZEUBJZGVRUWGK-UHFFFAOYSA-N 360.461 4.317 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1OC 170615222 ABANWPRGFSNBQL-DENIHFKCSA-N 364.441 4.323 30 50 FIEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 2055234 GZSIETKQGOXSNR-HXUWFJFHSA-N 369.461 4.094 30 50 FIEA N#CC1(c2ccccc2)CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 97499510 GSWYAFCSLJIIDU-UHFFFAOYSA-N 362.477 4.155 30 50 FIEA C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 4357262 JWYRAFPGEHRIGZ-UHFFFAOYSA-N 367.474 4.441 30 50 FIEA O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 4914659 QKJZEMOSDKQWEN-PBHICJAKSA-N 369.823 4.483 30 50 FIEA Cc1cscc1N=C(O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328631202 QPKNTRBQNOLGDY-NSHDSACASA-N 372.416 4.012 30 50 FIEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(-c2ccccc2)cc1 5647921 VJCQYLNAFFNXDK-LPYMAVHISA-N 357.442 4.178 30 50 FIEA C=CCN(Cc1cccc(OC)c1)Cc1cccc(Oc2ncccn2)c1 55212156 NWBDNOPDUBTKCT-UHFFFAOYSA-N 361.445 4.466 30 50 FIEA CCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1 78740407 OGRYMSNEVYPQJE-UHFFFAOYSA-N 370.559 4.477 30 50 FIEA C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(Br)cc1F 333140228 YPDRFOWJDCLBHW-GTNSWQLSSA-N 365.246 4.239 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)N=N1 2325894642 FIWQCRKIZGPLPJ-GOSISDBHSA-N 361.449 4.103 30 50 FIEA CCCNC(=O)c1ccsc1/N=C/c1c[nH]nc1-c1ccc(C)cc1 6399681 BSWHXYVFEUVRQK-SRZZPIQSSA-N 352.463 4.337 30 50 FIEA C=CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 4870355 ZDKUFJDFLFZOCB-UHFFFAOYSA-N 364.445 4.130 30 50 FIEA CN(Cc1cccc(C#N)c1)C(=O)c1cn(CCCC#N)c2ccccc12 225520629 PXTQFMUSTPVFET-UHFFFAOYSA-N 356.429 4.089 30 50 FIEA C=CCNC1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 12245205 VLEVCGNLVBNJAV-UHFFFAOYSA-N 363.505 4.002 30 50 FIEA N#Cc1cnc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c(Cl)c1 484465622 NUJMISQUKYBNLR-CQSZACIVSA-N 357.816 4.156 30 50 FIEA O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(Br)cc1 4531396 SIGFIKCDWOFFJG-GXDHUFHOSA-N 359.248 4.341 30 50 FIEA N#C[C@@H](C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 5737931 OAMVGGBWDYDFAD-MRXNPFEDSA-N 360.335 4.301 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 2443828 OHDOPXQJFULWDB-UHFFFAOYSA-N 368.437 4.001 30 50 FIEA C#Cc1ccc(CN(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1 12076661 RBZITKHPGGMOAZ-JOCHJYFZSA-N 364.508 4.194 30 50 FIEA CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]12C 257359231 ZBULDJKFUGQBQC-OVNVTHAWSA-N 368.473 4.107 30 50 FIEA Cc1oc(C#N)cc1C(=O)N1CCC(c2ccccc2Br)CC1 332441173 LGBZPALDFZBGMQ-UHFFFAOYSA-N 373.250 4.242 30 50 FIEA N#Cc1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2 1053470 SUCDAZIWMBSGRR-UHFFFAOYSA-N 353.266 4.185 30 50 FIEA COc1ccc(C2CC(=O)C(=CNc3ccc(C)cc3)C(=O)C2)cc1OC 1175015 QUGKDRVOTIZPBZ-UHFFFAOYSA-N 365.429 4.024 30 50 FIEA C/C(O)=N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(Cl)c(Cl)c1 13756312 LWSSJGGYSQOTKP-UHFFFAOYSA-N 352.225 4.476 30 50 FIEA Cc1nc(-c2cc3c(s2)CCN(c2nnc(C)c(C)c2C#N)C3)cs1 301967630 ZZVUIPKXGKFXTK-UHFFFAOYSA-N 367.503 4.021 30 50 FIEA Cn1nccc1[C@@H]1CCCN(CC/C(O)=N/[C@@H]2CCCc3ccccc32)C1 328754274 SLFCDCPZPCBAIC-UYAOXDASSA-N 366.509 4.024 30 50 FIEA C[C@@H]1Cc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2O1 1477139617 MENOGNCGKQFZGT-UIAACRFSSA-N 361.445 4.314 30 50 FIEA CSc1nnc(C(C)(C)C)c(=O)n1/C=N/c1c(Cl)cccc1Cl 2597808 QGUXSMOEPBMQHS-QGMBQPNBSA-N 371.293 4.173 30 50 FIEA CCC[C@@H]1CCc2nc(N=C(O)c3snc(O)c3Cl)sc2C1 328792822 RPNNZQJJYNDMOZ-SSDOTTSWSA-N 357.888 4.500 30 50 FIEA C=CCC1(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 832621163 RUTPHZIFPKYSDE-MRXNPFEDSA-N 362.514 4.029 30 50 FIEA Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 6056275 SDYPSZOXCBBOSY-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA O=C(C(C(=O)c1ccccc1)=C1C(=O)c2ccccc2C1=O)c1ccccc1 636228 ZCXIXMKKFJWZMD-UHFFFAOYSA-N 366.372 4.128 30 50 FIEA COc1ccc(C(=O)/C=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 669911 YJHKJCCEYURVPF-BQYQJAHWSA-N 362.769 4.074 30 50 FIEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 2069359 KTBFGJQJKHXOEK-SFHVURJKSA-N 357.837 4.037 30 50 FIEA O=C1C[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819949 OXZUXFYXLROYHI-CZUORRHYSA-N 367.832 4.050 30 50 FIEA Cc1ccc(N=C(O)[C@H](C)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1F 328680594 CBKBXGQHLQQKIK-BMGDILEWSA-N 368.456 4.164 30 50 FIEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 5649476 ZDPJWIBGBJBAGI-QGMBQPNBSA-N 365.245 4.128 30 50 FIEA Cc1ccc(OC(F)F)c(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c1 488288681 DXERWJRDDOCTDO-UHFFFAOYSA-N 374.774 4.485 30 50 FIEA N#Cc1c2c(c(NCCN3CCCCCC3)n3c1nc1ccccc13)CCC2 637957 MUDPJAPCCPGXCJ-UHFFFAOYSA-N 373.504 4.136 30 50 FIEA COC(=O)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 1207307 QQDHKCLDSJHDKU-ZHACJKMWSA-N 360.207 4.044 30 50 FIEA CCOC(=O)SC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1 4953299 FSXSGIDLMBYJKT-UITAMQMPSA-N 372.811 4.108 30 50 FIEA COc1ccc(-c2n[nH]c(=S)n2/N=C/C(C)=C/c2ccco2)cc1OC 5828318 DHCOSLAQMVNZKN-ULFXKVSISA-N 370.434 4.155 30 50 FIEA Fc1ccc(-c2nnc(S)n2/N=C/c2c(F)cccc2Cl)cc1 6083890 GWGSZFRLDGTYCC-UFWORHAWSA-N 350.781 4.048 30 50 FIEA O=C1CCCC2=C1C(c1ccc(Br)cc1)C1=C(CCCC1=O)N2 19863605 UDVKUHQKCAZABX-UHFFFAOYSA-N 372.262 4.150 30 50 FIEA C=CC[C@]1(C(=O)O)CCCN(Cc2cnc(-c3ccccc3OC)s2)C1 92001930 LRASBVRLZFRFHD-FQEVSTJZSA-N 372.490 4.062 30 50 FIEA O=[N+]([O-])c1ccccc1/C=N/n1c(-c2cccc(Cl)c2)n[nH]c1=S 5764088 HHLULPCTQXNVNU-RQZCQDPDSA-N 359.798 4.051 30 50 FIEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4913861 IPSJCTKSRSXKHW-GOEBONIOSA-N 367.470 4.151 30 50 FIEA OCC1(Cc2ccccc2Cl)CCN(CC#Cc2ccccc2)CC1 12053380 UDJYOHAOZDLXAE-UHFFFAOYSA-N 353.893 4.009 30 50 FIEA Cc1ccc(S(=O)(=O)OCCCCCCOCc2ccccc2)cc1 34578473 VVUMHKDBEGSVMR-UHFFFAOYSA-N 362.491 4.478 30 50 FIEA CSCC[C@@H](CO)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 65451437 QSOHSFSDEGBUSL-IBGZPJMESA-N 363.486 4.375 30 50 FIEA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 77536694 GXXZOASKBWXGQT-IBGZPJMESA-N 370.456 4.277 30 50 FIEA C(=NN1CCN(c2ccccn2)CC1)c1cccc(Oc2ccccc2)c1 238901800 MSVHRGQKHWUQIK-UHFFFAOYSA-N 358.445 4.030 30 50 FIEA CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2cccc(O)c2)cc1 239025449 BQRIMHPZQFEGSA-UHFFFAOYSA-N 352.463 4.119 30 50 FIEA O=C1C[C@H](C(=O)Nc2ccccc2C#Cc2ccccc2)c2ccccc2N1 471510660 MSHRZMRYFKIXAC-FQEVSTJZSA-N 366.420 4.151 30 50 FIEA O=C1C[C@@H](C(=O)Nc2ccccc2C#Cc2ccccc2)c2ccccc2N1 471510661 MSHRZMRYFKIXAC-HXUWFJFHSA-N 366.420 4.151 30 50 FIEA CC(C)(C#N)c1ccc(CN2CCC(Cc3ccccc3CO)CC2)cc1 2325726770 JQNJKOKXQFEVJQ-UHFFFAOYSA-N 362.517 4.435 30 50 FIEA C[C@@H](O)c1cccc(NC(=O)c2ccc(C#CC3(O)CCCCC3)cc2)c1 1061106 JCYFSPBTFBQZMQ-QGZVFWFLSA-N 363.457 4.039 30 50 FIEA C=CCOc1c(Br)cc(CNc2nccs2)cc1OCC 2861778 CNNGFNBZGVIIIT-UHFFFAOYSA-N 369.284 4.481 30 50 FIEA C=CCSC1=N/C(=C\c2cc(Br)ccc2OC)C(=O)S1 3000666 RBKPUYYVDWSEPG-FLIBITNWSA-N 370.293 4.347 30 50 FIEA CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881610 VTHUYJIXSMGYOQ-KOORYGTMSA-N 372.505 4.409 30 50 FIEA biogenic,in-vitro CN(C)c1ccc(/C(=N/Nc2ccc(C(=O)O)cc2)c2ccccc2)cc1 4975444 KSFIFBJOLMMQAI-DARPEHSRSA-N 359.429 4.315 30 50 FIEA Fc1ccc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)cc1 6227985 CUZYAGCPOFKFQZ-MCXKGUMDSA-N 358.829 4.487 30 50 FIEA Cc1c(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1C(=O)OC(C)(C)C 170006057 QJMWXNBQBJQJBS-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NCC(C)(C)C#N)c1 1875335558 UELOTNVORDVOMK-UHFFFAOYSA-N 356.857 4.186 30 50 FIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20604629 VTEMFJLXCQJXNU-UHFFFAOYSA-N 363.364 4.326 30 50 FIEA C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97957385 HYSSZDTUULNWLC-UWTATZPHSA-N 364.101 4.106 30 50 FIEA N#CC1(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ns2)CCC1 161611788 QKBFLCKIJCIGLF-UHFFFAOYSA-N 352.246 4.293 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 629622 FQRDFJXXHKCGDD-UHFFFAOYSA-N 370.861 4.211 30 50 FIEA CCCOc1ccc(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)c(O)c1 4947251 JLCLZLQOSQRNEY-HYARGMPZSA-N 362.433 4.392 30 50 FIEA COc1cccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)c1OC 6007374 GABDBCRCQBATBI-VXLYETTFSA-N 374.853 4.160 30 50 FIEA C=CCn1cc(CN(Cc2ccccn2)Cc2ccc(C)s2)c(C)n1 55042028 JCQGNVLJKKIIHD-UHFFFAOYSA-N 352.507 4.345 30 50 FIEA CCOC(=O)c1nn(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 221525535 JGIVNYQENQKLIG-UHFFFAOYSA-N 351.793 4.241 30 50 FIEA Oc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 239030665 CEZSIEYRNYQISC-UHFFFAOYSA-N 369.468 4.114 30 50 FIEA CCn1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N 584886029 JKMBAHDBRCPQBA-MRXNPFEDSA-N 350.491 4.369 30 50 FIEA CCN(CC)c1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)c(O)c1 2356631 NKOSLKVHYDGYKN-DEDYPNTBSA-N 373.526 4.422 30 50 FIEA S=C(N/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccccc1 13399442 SNZUAPZUWUCPMQ-UHFFFAOYSA-N 354.262 4.440 30 50 FIEA COc1ccccc1Oc1ncccc1CNC(=O)Nc1cccc(C#N)c1 67473157 UPLPOKCLWUMUQC-UHFFFAOYSA-N 374.400 4.076 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(F)c1 170618307 XRAWKYVGSWGGLT-NQIIRXRSSA-N 368.404 4.154 30 50 FIEA N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2cc3ccccc3o2)n1 3372194 ITQYHBQZYFUMGY-UHFFFAOYSA-N 370.412 4.140 30 50 FIEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2Cl)C1=O 4758557 VCMFBWQHBSGNNT-PTNGSMBKSA-N 371.845 4.494 30 50 FIEA O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 4947851 WTQPPXFXTIWZPY-KGENOOAVSA-N 361.357 4.260 30 50 FIEA C[C@H](CCc1ccc(O)cc1)/N=C(/O)N1CC[C@@H](C(F)(F)F)C1(C)C 330944195 DTHQBRVGZSFGBQ-IUODEOHRSA-N 358.404 4.290 30 50 FIEA N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2196832 BTXJDJYGYAVYAK-UHFFFAOYSA-N 369.453 4.493 30 50 FIEA CCCc1cc(NCCCN(CC)CC)n2c(nc3ccccc32)c1C#N 4038104 ARIKZUMWURJCQP-UHFFFAOYSA-N 363.509 4.455 30 50 FIEA CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 4913944 PLXAXNGGZSCJSZ-UKRRQHHQSA-N 369.511 4.474 30 50 FIEA O=C1C[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819947 OXZUXFYXLROYHI-BBRMVZONSA-N 367.832 4.050 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 19228214 OTKQFRJGQFSXJG-LJQANCHMSA-N 371.452 4.381 30 50 FIEA O/C(=N/CCc1cnccn1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 329353576 FDWCKWDSVYLCKR-GOSISDBHSA-N 358.873 4.204 30 50 FIEA CCN1/C(=C\C=Nc2ccccc2)C(C)(C)c2cc(S(=O)(=O)O)ccc21 334160119 DZZLKLFMSFKOPT-KQDOTXDFSA-N 370.474 4.337 30 50 FIEA CCCC[C@H](CC)C(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 2325868296 VWTSEKYBEXIHQF-NRFANRHFSA-N 355.526 4.103 30 50 FIEA Cc1ccc2cc(/C=N/NC(=S)NC3CCCCC3)c(Cl)nc2c1 4210356 XIOCWZDMJBQESB-RGVLZGJSSA-N 360.914 4.327 30 50 FIEA CCC[C@H](/N=C(\S)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13519114 HXGHHMVEEJLYLB-XOUIXPDISA-N 350.572 4.426 30 50 FIEA COc1ccccc1/C=C/C=N\N1CCN(c2ccc(Cl)cc2)CC1 4482704 DXYRDPXDNIJMPD-MDBPQJRPSA-N 355.869 4.170 30 50 FIEA COc1ccccc1/C=N/n1c(-c2cccc(OC(C)C)c2)n[nH]c1=S 9088107 YHNIVVHURNKEKE-UDWIEESQSA-N 368.462 4.286 30 50 FIEA C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 2314887 URYPAGAVCITRMP-UHFFFAOYSA-N 354.500 4.273 30 50 FIEA COc1cc(O)c(C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 4252501 HULOKJPQNJZXKY-VOTSOKGWSA-N 363.207 4.068 30 50 FIEA CC(C)[C@H]1CC[C@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)C1=O 32603854 PBMVZXBUWLFUMN-QPMKFSPVSA-N 357.450 4.145 30 50 FIEA Oc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1Cl 239235291 VSPLZTPGJAKDAX-UHFFFAOYSA-N 365.245 4.128 30 50 FIEA CCOc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 5953808 QACBLVCCKXZTEI-RQZCQDPDSA-N 365.183 4.212 30 50 FIEA Cc1cc(C)cc(OCc2ccc(/C=C/C(=O)c3cnn(C)c3C)o2)c1 6527777 ZKRUSRFASVHCHK-BQYQJAHWSA-N 350.418 4.413 30 50 FIEA N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc1 77300880 LLNJDPNPZQDIQM-SFHVURJKSA-N 374.419 4.107 30 50 FIEA N#Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 170615903 KKRYEEFSKCJEBD-UHFFFAOYSA-N 354.124 4.165 30 50 FIEA N/N=C(\c1cccs1)c1nn(-c2ccccc2)cc1Cc1cccs1 221527797 FDRZRDOKYHUULH-XUTLUUPISA-N 364.499 4.297 30 50 FIEA C=C(C)CN(CC)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 12701370 LNBUGBSHIIICAN-QFIPXVFZSA-N 374.569 4.089 30 50 FIEA O=C1C=C[C@H]2[C@H](c3ccccc3)C[C@H]1N2c1nc(-c2ccccc2)ns1 1078378387 YAKQKWDHLWJBEK-OKZBNKHCSA-N 359.454 4.075 30 50 FIEA Cc1noc2nc(C3CC3)cc(/C(O)=N/[C@@H]3CCOc4c(F)cccc43)c12 328634468 BNEWYRSBSXGTFZ-OAHLLOKOSA-N 367.380 4.376 30 50 FIEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 2325806748 DRAPTHZUARUQTH-JTSKRJEESA-N 359.510 4.145 30 50 FIEA O=C(C[n+]1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 1831427 XXLCOKWBGJHUPD-UHFFFAOYSA-N 353.239 4.287 30 50 FIEA Clc1cccc(Cl)c1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4996137 OKHFFZKVALYHCF-UFWORHAWSA-N 357.204 4.259 30 50 FIEA COc1ccccc1/C=C\C=N\n1c(S)nnc1-c1ccc(Cl)cc1 6096307 LSPXVQZWGIOBAR-KLAUYBSTSA-N 370.865 4.443 30 50 FIEA COc1nc2ccccc2cc1-c1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1 534591685 UDRJMEOWPUFOBV-MRXNPFEDSA-N 371.440 4.286 30 50 FIEA CCC[C@H](C)CC(=O)NCCC1CCN(Cc2ccccc2C#N)CC1 2325868034 MMILHWPZHHEQQG-SFHVURJKSA-N 355.526 4.103 30 50 FIEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 1167842 ACWGBWGYALBQFV-XDHOZWIPSA-N 364.470 4.380 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 4803485 VEUBFJSJPWVOSR-UHFFFAOYSA-N 354.475 4.103 30 50 FIEA N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1F 8783529 YAHLJJUOQPIEAB-UHFFFAOYSA-N 363.417 4.490 30 50 FIEA C=C(C)CN1CCN(c2cc(CCC)c(C#N)c3nc4ccccc4n23)CC1 54360502 PRUASTKNIRSEPP-UHFFFAOYSA-N 373.504 4.010 30 50 FIEA COc1cccc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)c1OC 71776462 WPIFAZXZXMIAHT-UHFFFAOYSA-N 367.355 4.165 30 50 FIEA N#Cc1cccc(-c2nccn2-c2cccc(C(=O)Nc3cccnc3)c2)c1 77319814 IOINWQZMSXJZCF-UHFFFAOYSA-N 365.396 4.058 30 50 FIEA Fc1cccc(Cl)c1C=NN1CCN(c2ccc(Cl)cc2)CC1 238881928 BLRKUAJJYQRREJ-UHFFFAOYSA-N 352.240 4.289 30 50 FIEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 1148501 MYBCXKKNNUYQRW-UHFFFAOYSA-N 352.419 4.332 30 50 FIEA C#CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 12342697 SRADUMRIDJXHSG-LDADJPATSA-N 367.401 4.074 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13285565 DFJBXQKPPLKTCZ-GOSISDBHSA-N 359.853 4.260 30 50 FIEA N#CCCn1cc(CN2CCc3c(F)cc(F)cc32)c(-c2ccccc2)n1 170599888 NJMBSZDJNCWBPG-UHFFFAOYSA-N 364.399 4.305 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(F)c(Cl)c1 170618188 FDJDEDDOYFCWNK-ACJLOTCBSA-N 362.784 4.391 30 50 FIEA C#CCCC1(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)N=N1 952879714 GPKVEPOABJARRI-UHFFFAOYSA-N 372.900 4.123 30 50 FIEA O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4977077 LBKQFUAZHWLODL-WOJGMQOQSA-N 352.306 4.209 30 50 FIEA CC(C)(C)c1cnc(C/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)o1 328607110 UOAZSSJZTLHJPZ-JLTOFOAXSA-N 358.413 4.308 30 50 FIEA CCOc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 956504 YTSSTLGMDLYRPP-CYBMUJFWSA-N 370.474 4.161 30 50 FIEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(C3CCCCC3)n[nH]c2=S)c1 15987991 NBBDKPIFSBNFRC-RQZCQDPDSA-N 365.846 4.432 30 50 FIEA CC1=C(Br)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 43761746 SMYAFWDATYUCTN-WJDWOHSUSA-N 369.175 4.124 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1ccc(F)cc1 170618308 NIDNJSQKQDNMFY-GHTZIAJQSA-N 368.404 4.154 30 50 FIEA CC(=O)Nc1ccc2nc(/N=C(\O)C(Cl)(Cl)Cl)sc2c1 5063691 JJYMYGIXCXBANE-UHFFFAOYSA-N 352.630 4.213 30 50 FIEA N#Cc1c(-c2ccncc2)cc(-c2ccc(N3CCCCC3)cc2)nc1N 71771442 LFVBQNNQIAAKCO-UHFFFAOYSA-N 355.445 4.255 30 50 FIEA CC1(C)CC[C@@H]2C[C@H](/N=C(/O)C3(S(C)(=O)=O)CCC3)c3cccc1c32 330021867 YOTCJKAWXCVGGY-CJNGLKHVSA-N 361.507 4.210 30 50 FIEA COc1ccccc1N1CCN(/N=C/c2ccc(C(C)(C)C)cc2)CC1 2702921 NBNNYQLURZZSBR-HAVVHWLPSA-N 351.494 4.149 30 50 FIEA C=CCn1c([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S 5063601 GESDDPBNKYTCBA-AWEZNQCLSA-N 364.902 4.297 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 13285558 PCRVHRQVQBYERI-IBGZPJMESA-N 371.452 4.383 30 50 FIEA Oc1ccccc1/C=N/CC1CCC(C/N=C/c2ccccc2O)CC1 17720895 IQUQYVNGKZBPPJ-DFEHQXHXSA-N 350.462 4.442 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1848443826 BDJNJWJAJKMWQI-UQLALNNISA-N 374.521 4.297 30 50 FIEA CSc1cc(-c2ccccc2)n(Cc2cccc(F)c2)c(=O)c1C#N 1388948 ARZFTPIUGFERHY-UHFFFAOYSA-N 350.418 4.296 30 50 FIEA O=C(C[n+]1ccccc1Br)c1ccc(-c2ccccc2)cc1 3098854 UWWRDVHCUWJQAX-UHFFFAOYSA-N 353.239 4.287 30 50 FIEA N#Cc1nc(-c2cccs2)oc1NCCSc1ccc([N+](=O)[O-])cc1 1857800813 TUYGUWSPHCJTCE-UHFFFAOYSA-N 372.431 4.387 30 50 FIEA COc1ccc2c(c1)CCC/C2=N/OC(=O)c1cc(Cl)ccc1OC 5074056 SMWNPRPNZAPRRL-FXBPSFAMSA-N 359.809 4.255 30 50 FIEA C=CCn1ncc(-c2c(-c3ccccc3)ncn2[C@H]2CC[C@H](O)CC2)c1C 244858408 VKQWXOAGCLAJLT-WGSAOQKQSA-N 362.477 4.384 30 50 FIEA CN1CCN(C(=O)c2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cc2)CC1 534662682 LLGNJDURNFUWQL-UHFFFAOYSA-N 373.500 4.077 30 50 FIEA CC(C)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(Br)c1 1145560 BPCDFHYOSXLOJN-UHFFFAOYSA-N 373.250 4.462 30 50 FIEA C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CCc1ccccc1 4423816 UNMNQJGQYLXPDS-UWJYYQICSA-N 354.450 4.138 30 50 FIEA COc1ccccc1-c1cc[n+](CC(=O)c2ccc3ccccc3c2)cn1 5676516 URFMFIQNKRTQEA-UHFFFAOYSA-N 355.417 4.081 30 50 FIEA C=CCN1C(=O)/C(=C\C=C\C=C\Nc2ccc(OC)cc2)SC1=S 6296186 ALFKIMOZCWOAJU-IOWBPAFOSA-N 358.488 4.107 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 2376120 DWVJLWDMIMIFOC-UHFFFAOYSA-N 374.853 4.108 30 50 FIEA COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 636889 SGHVJZDHRSSUKU-UHFFFAOYSA-N 357.837 4.050 30 50 FIEA C#CCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 5494281 PGHJWMKMUMEQQB-UHFFFAOYSA-N 364.626 4.367 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1cccs1 225847841 NXNBJGVESLNGNH-YLJYHZDGSA-N 369.486 4.133 30 50 FIEA Cc1ncc(C(=O)NCc2ccc(Oc3ccccc3)cc2F)cc1C#N 2325821108 DDYRWNFNPYRLKP-UHFFFAOYSA-N 361.376 4.123 30 50 FIEA C#CCCC1(CCC(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)N=N1 952883257 YGXBPPSQSNJJHZ-MSOLQXFVSA-N 353.466 4.047 30 50 FIEA CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 9329914 HHIWUSKQFVOMBL-GOSISDBHSA-N 353.393 4.204 30 50 FIEA CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 331041018 CIWPBEKRCKUZDY-JMSVASOKSA-N 355.265 4.270 30 50 FIEA CC(C)=CCN1CCC(C2CCN(Cc3ccccc3C#N)CC2)CC1 1857738651 RHKCTVSUVJGFPV-UHFFFAOYSA-N 351.538 4.448 30 50 FIEA CN(Cc1cccc2[nH]ccc12)C(=O)c1ccc(C(F)(F)F)cc1C#N 1875263457 BDQXSRHSXADEST-UHFFFAOYSA-N 357.335 4.331 30 50 FIEA C[C@H]1CCCc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c21 1146639 GLZCJWRLOBYHFO-NSHDSACASA-N 355.488 4.186 30 50 FIEA O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1F 1079576 VGIZOWKLYOGKOD-OAHLLOKOSA-N 353.368 4.492 30 50 FIEA Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/Nc3ccccc3)c2)cc1 252497964 QSJRJJODKMLCMB-RCCKNPSSSA-N 366.442 4.209 30 50 FIEA O=C1C[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819945 OXZUXFYXLROYHI-CJNGLKHVSA-N 367.832 4.050 30 50 FIEA CCCCCCCOC(=O)CCCCSc1ncnc2[nH]cnc12 100730181 PYTMMQHEUGHJPJ-UHFFFAOYSA-N 350.488 4.129 30 50 FIEA C=CCNC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 2837697 MLSAGPCYJKTSBY-UHFFFAOYSA-N 368.502 4.091 30 50 FIEA O=C1C[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819794 DBWRHXJXPLJKCI-IUODEOHRSA-N 369.823 4.483 30 50 FIEA CCCCCOc1ccc(C[N+]2C(=O)C(=NO)c3cc(C)ccc32)cc1 343516832 AIPBQXQMEJWACQ-UHFFFAOYSA-N 352.434 4.254 30 50 FIEA CC(C)C#CC(=O)N1CC(C)(C)[C@H]1c1nccn1-c1cccc(Cl)c1 952892279 NDGKXODKTIKUGF-GOSISDBHSA-N 355.869 4.095 30 50 FIEA CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)CCCC1=O 1076668 QWIAPPMKZSMNDT-UHFFFAOYSA-N 352.478 4.293 30 50 FIEA biogenic,in-vitro CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 4913958 PLXAXNGGZSCJSZ-DZGCQCFKSA-N 369.511 4.474 30 50 FIEA CS(=O)(=O)C1(/C(O)=N/[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCC1 329239934 MHNQKNYIEHGKED-QGZVFWFLSA-N 365.470 4.076 30 50 FIEA CC(C)Oc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1CO 826688499 HNPKTUCSXDMBSC-UHFFFAOYSA-N 364.489 4.023 30 50 FIEA N#C[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)N1c1ccccc1 987617 MZMLCGNXJWVCLC-HSZRJFAPSA-N 354.409 4.421 30 50 FIEA CCOc1cc(/C=C2/S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O 18096888 ZJCHNXPUXKRXIW-WOJGMQOQSA-N 368.458 4.299 30 50 FIEA O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@H]12 254752596 YIEKQZZNLCOSAB-PHBQDPKESA-N 353.340 4.066 30 50 FIEA CCCCCOc1ccccc1C[N+]1C(=O)C(=NO)c2cc(C)ccc21 343516896 IHAHMZHFPPQVQG-UHFFFAOYSA-N 352.434 4.254 30 50 FIEA N#CC1(F)CCN(Cc2csc3c(Br)cccc23)CC1 2325757114 FZVZZLXKCLSVJX-UHFFFAOYSA-N 353.260 4.491 30 50 FIEA C/C(=N\Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccc(N)cc1 12343284 KOOGKOFUXJZNSW-QPSGOUHRSA-N 354.628 4.332 30 50 FIEA N#Cc1c(/N=C2\SCC(=O)N2c2ccccc2)sc2c1CCCC2 221528247 ZTLLEWSRGSZZQR-ZZEZOPTASA-N 353.472 4.266 30 50 FIEA CC1(C)C[C@H](/N=C(/O)N2CCCC[C@H]2c2cc[nH]n2)c2ccccc2O1 329304150 XSQYKXOCIPWBFD-IRXDYDNUSA-N 354.454 4.153 30 50 FIEA Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1C(C)C 330623916 QKJFPTZNZVCXKB-UHFFFAOYSA-N 365.477 4.241 30 50 FIEA COc1ccccc1N1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1 1051069 ZOQOZUCGTQVCQN-FYJGNVAPSA-N 364.276 4.158 30 50 FIEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1 4005948 YONPZOTXVLIQRE-NHCUHLMSSA-N 360.457 4.236 30 50 FIEA C[C@](C#N)(/N=C(/O)CN1CCCC[C@H]1c1nc2ccccc2o1)C1CC1 329995678 NOOYWUVCTLMSNW-OXJNMPFZSA-N 352.438 4.004 30 50 FIEA C=CCc1ccc(OCCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 2991107 GABXRNHSUBUKJR-UHFFFAOYSA-N 357.406 4.488 30 50 FIEA O=c1c(/C=N/Nc2ccccc2)c(Sc2ccccc2)nc2ccccn12 5483291 YKJANOZZVSPJHY-PXLXIMEGSA-N 372.453 4.292 30 50 FIEA Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1ccccc1 12468257 MDHHYZPBUVPWEB-GOSISDBHSA-N 373.500 4.154 30 50 FIEA Cc1cc(CNCC(O)=Nc2cccc(F)c2)ccc1Br 328594604 XSYVWXDYCLLTOC-UHFFFAOYSA-N 351.219 4.274 30 50 FIEA CCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1 19773084 FCHFOSPBCZFFCY-XIEYBQDHSA-N 373.500 4.390 30 50 FIEA N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(Br)c1 127759919 XAQFZEBROIPGFJ-IKGGRYGDSA-N 373.225 4.073 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 7720734 BGKVPBIKKLUHRD-UHFFFAOYSA-N 367.836 4.147 30 50 FIEA Cc1ccc(N/C=C2\C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)cc1 18144600 UZVIDJMHLUPIRL-VBKFSLOCSA-N 361.397 4.295 30 50 FIEA C=CC[C@@]1(CO)CCCN(Cc2ccccc2OCc2ccccc2)C1 91848923 KAABAIGBYXJGCS-HSZRJFAPSA-N 351.490 4.416 30 50 FIEA CCc1cc(C#N)c(NS(=O)(=O)c2cccc(Cl)c2Cl)s1 328594110 QMYMJGIDTATIQB-UHFFFAOYSA-N 361.275 4.290 30 50 FIEA CCn1cc([C@@H]2N=C(O)CC[C@H]2/N=C(/O)C2C3CC4CC(C3)CC2C4)cn1 329783889 VMXOAXCXXDFBGD-HXPGXDMGSA-N 370.497 4.092 30 50 FIEA C#CCCC1(CCC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)N=N1 2325894857 TXQIKOLOSIEQQN-GOSISDBHSA-N 366.509 4.122 30 50 FIEA N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)CSc1ccccc1 4978526 IYHXUVDKLMOAMJ-UHFFFAOYSA-N 369.273 4.144 30 50 FIEA O=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253409487 LXUKJVOSOADEGN-UEXNTNOUSA-N 369.376 4.139 30 50 FIEA biogenic N#C[C@]1(C(=O)NCc2ccc(-c3cccnc3)cc2)CCc2ccccc2C1 1875257229 UJWJXAFOQYUBHS-DEOSSOPVSA-N 367.452 4.064 30 50 FIEA Cc1cc(=O)[nH]c(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N 634297 LLSLLNHEIFIXOC-UHFFFAOYSA-N 360.438 4.197 30 50 FIEA CCn1c2ccccc2c2cc(/C=N/N3C(=O)c4ccccc4C3=O)ccc21 705160 YVRLDYRPGSIXBI-ZVHZXABRSA-N 367.408 4.445 30 50 FIEA C=CCn1c(SCC(=O)c2ccccc2)nc2sc(CC)cc2c1=O 909618 GBWLPLHODDCCAQ-UHFFFAOYSA-N 370.499 4.181 30 50 FIEA CCOC(=O)C(CC)(CC)C(=O)/C=C/c1cccc(Br)c1 2304233 DNXJBIQRZBCKNJ-ZHACJKMWSA-N 353.256 4.401 30 50 FIEA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 5065371 VTRCROFOHZWFOT-CYBMUJFWSA-N 374.868 4.269 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)C(=O)C[C@H]32)C1 254754574 MPXJSJVWSXWSNI-RKQKONJJSA-N 372.505 4.265 30 50 FIEA CCn1cc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c2ccccc21 71754738 RDECAFKMBAGGHS-UHFFFAOYSA-N 370.412 4.255 30 50 FIEA C#CCCC1(CCC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)N=N1 1875381673 CVKJHUYADURYJR-UHFFFAOYSA-N 350.249 4.234 30 50 FIEA CC(C)(C)OC(=O)N1C[C@@H](B2OC(C)(C)C(C)(C)O2)[C@H](c2ccccc2)C1 1875390123 LUHYBBAVLIOPFP-DLBZAZTESA-N 373.302 4.483 30 50 FIEA CCOC(=O)CSc1nc(C2CC2)cc(-c2ccc(F)cc2)c1C#N 754963 GXQHUVABZQLVEX-UHFFFAOYSA-N 356.422 4.292 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 2502224 FDQQSMIPFHRVHN-UHFFFAOYSA-N 374.893 4.448 30 50 FIEA C=CCC1(CC=C)CCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 11956399 CWYNGNBCTYQRCN-UHFFFAOYSA-N 370.884 4.107 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1C 19537392 WQUOQYJPCFTZIT-HXUWFJFHSA-N 367.489 4.471 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cc(C)n[nH]2)cn1 67713981 XHYNUEDHVZKCTQ-QGZVFWFLSA-N 372.476 4.435 30 50 FIEA C=CCN(C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1)C(C)C 67851930 JKVNMCVYBKZLDT-UHFFFAOYSA-N 371.462 4.208 30 50 FIEA Cc1sc(NC(=O)CC(C)(C)C#N)nc1-c1c(F)cc(F)cc1F 496055064 QCEVZUSONNYMGO-UHFFFAOYSA-N 353.369 4.414 30 50 FIEA C#CCCC1(CCC(=O)Nc2ncc(Cc3ccc(OC)cc3)s2)N=N1 2325892667 WEPLIFBLCKDZOM-UHFFFAOYSA-N 368.462 4.037 30 50 FIEA CN(C)c1ccc(/C(=N/Nc2ccccc2C(=O)O)c2ccccc2)cc1 5248092 FPSCYOFLEQGVMT-DARPEHSRSA-N 359.429 4.315 30 50 FIEA COc1cc(O)cc(N=C(O)C2CCN(c3nc4ccccc4o3)CC2)c1 328591553 GJVNXLGYYSDWGB-UHFFFAOYSA-N 367.405 4.047 30 50 FIEA Cn1c(=O)c(CNc2c(C#N)cnc3c(Cl)cccc23)cc2ccccc21 1875303939 SRWUALJFEXQKFL-UHFFFAOYSA-N 374.831 4.224 30 50 FIEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2cccc(F)c2F)CC1 2325806810 HYAPNDVIINNSHF-QVKFZJNVSA-N 365.464 4.414 30 50 FIEA COc1cc(/C=C/C(=O)c2cc(Cl)c(C)cc2O)cc(OC)c1OC 4252524 NWALRILOGURVOS-AATRIKPKSA-N 362.809 4.276 30 50 FIEA N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1 4725408 VJSJJKQOLNGQMW-UHFFFAOYSA-N 369.218 4.080 30 50 FIEA c1ccc(CN2CCC(=NN=C3CCN(Cc4ccccc4)CC3)CC2)cc1 210797597 IJHXNNSUUUOGAK-UHFFFAOYSA-N 374.532 4.375 30 50 FIEA in-vitro Cc1cscc1N=C(O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328631200 QPKNTRBQNOLGDY-LLVKDONJSA-N 372.416 4.012 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 19313803 MEDLNZLUJOFGRS-PGRDOPGGSA-N 373.452 4.221 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 623096 JUIUCWNVCVGYDF-UHFFFAOYSA-N 364.474 4.170 30 50 FIEA CCn1c(-c2cc(OC)ccc2Br)nc2cc(C#N)ccc21 170638339 KIPKEJYEPSXMOR-UHFFFAOYSA-N 356.223 4.366 30 50 FIEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(F)c1 7720271 BDFUEUHOUHWFJU-UHFFFAOYSA-N 351.381 4.013 30 50 FIEA COc1ccc(Cl)cc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 8679813 FEEZSFFIVPCRKY-UHFFFAOYSA-N 369.852 4.438 30 50 FIEA O/C(=N/Cc1nc2cc(Br)ccc2o1)c1c(F)cccc1F 328591729 AQGNXFIPDORTEO-UHFFFAOYSA-N 367.149 4.373 30 50 FIEA O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4845861 VAMAFXSLFIRNIV-VBKFSLOCSA-N 360.325 4.199 30 50 FIEA Cc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2cccc3ccccc23)S1 6302726 CWXCXXQRNTXINI-BTVXTAIASA-N 373.481 4.312 30 50 FIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1 6819583 HHHLNLRZTGFDDE-IEBWSBKVSA-N 361.441 4.008 30 50 FIEA COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 217675575 BQSZJAIQWATNHC-HNNXBMFYSA-N 350.370 4.005 30 50 FIEA biogenic Cc1noc([C@H]2CCN([C@H](C)C(O)=Nc3ccc(Cl)c(Cl)c3)C2)n1 329022086 IGBXQWJBNZXFPN-KOLCDFICSA-N 369.252 4.151 30 50 FIEA CC(C)(C#N)c1ccccc1CN1CCC(Cc2ccccc2CO)CC1 2325726750 WAZYJZPYBGVJGA-UHFFFAOYSA-N 362.517 4.435 30 50 FIEA C=CCN(CC=C)CCCOc1ccc(C)cc1I 2839024 NQWLSCUKJOPUHO-UHFFFAOYSA-N 371.262 4.043 30 50 FIEA CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(OC)c1 19923536 YUIAOTDSUUDFEL-HNAYVOBHSA-N 359.466 4.196 30 50 FIEA COc1ccccc1Oc1ccccc1NC(=O)N1CCC[C@@H](C#N)C1 299802445 WQGWPTRDPWUUQS-HNNXBMFYSA-N 351.406 4.255 30 50 FIEA C[C@@H]1CCCc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c21 1146640 GLZCJWRLOBYHFO-LLVKDONJSA-N 355.488 4.186 30 50 FIEA COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 4468855 DHKKONBXGAAFTB-OTYYAQKOSA-N 366.413 4.335 30 50 FIEA biogenic,in-man C=CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S 5128028 BNRSQCUOPLBUHF-RWPWKDLBSA-N 356.516 4.228 30 50 FIEA aggregator COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)cc1 6819685 XWCQGZOPMHBJJZ-HKUYNNGSSA-N 361.441 4.008 30 50 FIEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 2209563 VAJRCAYXNHKPOX-HAVVHWLPSA-N 370.928 4.342 30 50 FIEA C=CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 12717262 PFWTZZIBWGJPNT-HXUWFJFHSA-N 362.473 4.415 30 50 FIEA C=CCN(CC=C)C[C@H](O)CN1c2ccccc2Sc2ccccc21 706986 YFIMMPCBBDIRIM-KRWDZBQOSA-N 352.503 4.324 30 50 FIEA O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 170612954 VEBSYKTVMMNJIM-LREOWRDNSA-N 369.726 4.443 30 50 FIEA N#Cc1ccsc1N=C(O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 329036563 CJUKWHPTHAABLV-KURKYZTESA-N 351.475 4.476 30 50 FIEA Cc1ocnc1/C(O)=N/CC1(c2ccc(Br)s2)CCC1 329331954 WKHIPLXOHUFXCT-UHFFFAOYSA-N 355.257 4.234 30 50 FIEA C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)cc1 2603125 MMOQAEIRXDWIAK-UHFFFAOYSA-N 365.458 4.115 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(O)c1 18126153 UMBVIOYTAPHVDS-IBGZPJMESA-N 371.436 4.330 30 50 FIEA Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1 100305504 MVBJOPWPBCBGEK-BUVRLJJBSA-N 356.429 4.110 30 50 FIEA CC(C)(C)c1cnc(CN/C(O)=N/C[C@@H]2CCCC[C@H]2C(F)(F)F)o1 330727958 GMIOZYCISSANCA-NWDGAFQWSA-N 361.408 4.344 30 50 FIEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 12575965 HUWORFFVVUVYPL-QHCPKHFHSA-N 368.521 4.117 30 50 FIEA C=CCC(=O)N1CCc2ccc(NC(=O)CCc3ccc(C)cc3)cc2C1 12579279 CPSLYOYTZKQFFD-UHFFFAOYSA-N 362.473 4.027 30 50 FIEA CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(C)c32)ccc1O 13122552 XCNAIYQYAIHNOS-SFHVURJKSA-N 367.449 4.023 30 50 FIEA CCn1cc(Br)c(C(=O)/C=C/c2ccccc2OC(F)F)n1 6636009 DRYYNBRNGMZXMI-BQYQJAHWSA-N 371.181 4.163 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(O)c1O 18276442 GJQHXKXRJAGUTH-IBGZPJMESA-N 350.418 4.320 30 50 FIEA CCOc1c(CN(C)C(=O)Nc2ccc(C#N)cc2CC)cccc1OC 299786873 OCMFBVPGWHMYIS-UHFFFAOYSA-N 367.449 4.192 30 50 FIEA C(=N/Nc1nc2ccccc2[nH]1)\c1nc2ccccc2n1Cc1ccccc1 3902092 KOGYFMLEUUPBTB-OEAKJJBVSA-N 366.428 4.407 30 50 FIEA Cc1cccc(C)c1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 5068179 PPRCLMXVEWFNQU-JJFYIABZSA-N 363.421 4.460 30 50 FIEA Cc1ccc(N/C(=C/C(=O)c2ccccc2)C(=O)O)cc1Br 1070532 GFGAGWFQMWVVMU-XNTDXEJSSA-N 360.207 4.021 30 50 FIEA C=CC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 96836825 KSFBTMRFQUMTJS-IBGZPJMESA-N 365.429 4.191 30 50 FIEA CCC[C@H]1CCc2nc(N=C(O)c3snc(O)c3Cl)sc2C1 328792826 RPNNZQJJYNDMOZ-ZETCQYMHSA-N 357.888 4.500 30 50 FIEA O=C1C[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914669 QKJZEMOSDKQWEN-WMLDXEAASA-N 369.823 4.483 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71422219 NUJTXYJJEMKTJF-HNNXBMFYSA-N 354.400 4.321 30 50 FIEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)N=N1 2325886098 OIBREFAHEUETJY-HNNXBMFYSA-N 370.522 4.084 30 50 FIEA CCN(CC)c1ncnc2sc3c(c12)CC[C@@](C#N)(c1ccccc1)C3 1125437 NSZOKQZUWNBCLH-OAQYLSRUSA-N 362.502 4.488 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 1144632 YPKKQCXVUFGRTQ-UHFFFAOYSA-N 368.437 4.001 30 50 FIEA COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 1233882 BUWQOPHMYRXMLL-NXZHAISVSA-N 354.402 4.017 30 50 FIEA in-vitro CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 12712165 GIMDRTRAQBFLSJ-JOCHJYFZSA-N 366.480 4.025 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2F)C[C@@H]1c1cccc(F)c1 252505102 VOKGLIQXLMCDQT-YLJYHZDGSA-N 356.368 4.284 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253595641 GVBHYHFYTCVSPY-JMECKCGPSA-N 358.522 4.325 30 50 FIEA C[C@]1(O)CCCN(/C(O)=N/[C@@H](Cc2ccccc2)c2ccccc2)CC1 329908411 LQLRAQPHZSCKNR-UNMCSNQZSA-N 352.478 4.121 30 50 FIEA CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2F)sc2c1CCCC2 1152499 GECBIIAUFWHZIT-UHFFFAOYSA-N 372.421 4.067 30 50 FIEA C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 185479686 PWSZFGAPDUBNMV-MJGOQNOKSA-N 374.435 4.469 30 50 FIEA N#Cc1c(Br)cccc1NCC[C@@H]1NCCc2ccccc21 2325868401 YMGPQDSEWCMKQH-SFHVURJKSA-N 356.267 4.010 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 537837 VTHUYJIXSMGYOQ-DTILQVPTSA-N 372.505 4.409 30 50 FIEA biogenic,in-man CCOc1ccc(CSc2nc(C)cc(COC)c2C#N)cc1OCC 719049 PJCLMZQYWZPLPN-UHFFFAOYSA-N 372.490 4.498 30 50 FIEA Cc1cc(C)c(C(=O)C[n+]2cccc(NC(=O)c3ccccc3)c2)c(C)c1 1884568 FWJIMVTVZVVEFR-UHFFFAOYSA-O 359.449 4.035 30 50 FIEA C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)(C)C 4980147 YHGUWAFWFMUWME-WVISFHDSSA-N 364.446 4.004 30 50 FIEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1F 7720261 UHFHJJWVAXMQRK-UHFFFAOYSA-N 371.799 4.358 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2CCC[C@@H]2CCOC2)cn1 65370494 ICKRSXUZAZICQG-GOSISDBHSA-N 362.477 4.416 30 50 FIEA CC(C)(C)c1cc(NC(=O)c2c(F)cc(C#N)cc2F)nc(C(C)(C)C)n1 154649548 SHRZJVBWIUNRFH-UHFFFAOYSA-N 372.419 4.474 30 50 FIEA Cn1nc(C(F)(F)F)c(C#N)c1Sc1cccc(C(F)(F)F)c1 3052727 YOMBDMSDYSDUNS-UHFFFAOYSA-N 351.275 4.481 30 50 FIEA CC(=O)c1cc(C#N)c(NCc2cc(-c3ccc(Cl)cc3)no2)nc1C 20385973 MQLFFXCDLVMSFL-UHFFFAOYSA-N 366.808 4.385 30 50 FIEA FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)Br 44360349 RWWUGYJWSVESJC-UHFFFAOYSA-N 359.836 4.232 30 50 FIEA in-vitro Oc1ccc(C=NNc2nnc(Cc3ccccc3)c3ccccc23)c(O)c1 252678258 CULCJQFKLVKRNO-UHFFFAOYSA-N 370.412 4.078 30 50 FIEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(O)=Nc1nccs1 328602096 ACOSEUKZRPVGCV-BBRMVZONSA-N 354.435 4.003 30 50 FIEA CCCCCCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)O 100167200 PJIQZYSNAKEAAJ-PFONDFGASA-N 355.519 4.149 30 50 FIEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)N=N1 2325892589 SMXZPZWAYFLJBT-MRXNPFEDSA-N 362.433 4.407 30 50 FIEA COc1ccccc1N1CCN(/N=C\c2ccc(Cl)cc2Cl)CC1 5052181 SJYIGEUWVPETFW-BKUYFWCQSA-N 364.276 4.158 30 50 FIEA C=C(C)CN(CC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 11952902 ATOCTDGHFJUGEY-UHFFFAOYSA-N 371.462 4.210 30 50 FIEA Cn1c(SCc2ccc(F)c(C#N)c2)nnc1-c1cccc(Cl)c1 124956929 RHBGMICIZSWFQX-UHFFFAOYSA-N 358.829 4.439 30 50 FIEA N#C[C@@]1(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)CC12CCCC2 333896315 RPCOCXMOIYSDFW-QGZVFWFLSA-N 351.233 4.193 30 50 FIEA C=C(C)CN(CC)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 12430657 WQUKNRAMTGMCNO-LJQANCHMSA-N 351.446 4.362 30 50 FIEA C#CC(O)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1 196137203 IZWIZOSDISZSCE-UHFFFAOYSA-N 350.506 4.248 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 2073911 ZLELVUVTYQQVLV-OAHLLOKOSA-N 354.460 4.381 30 50 FIEA C=C1CC[C@@](C(=O)OCC)(c2ccccc2)c2cc(OC)c(OC)cc21 622803 PNBDEGKODVWCHP-JOCHJYFZSA-N 352.430 4.360 30 50 FIEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1C 1112951 JEGXKCICMXRUID-UHFFFAOYSA-N 364.474 4.170 30 50 FIEA O=C1N/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Cl)cc1 5649535 GGHAKSUARLJHQT-AWEZNQCLSA-N 351.258 4.455 30 50 FIEA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5952184 BRINQOKNWFCARM-YUELXQCFSA-N 374.506 4.354 30 50 FIEA N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(Br)c1 467184598 XAQFZEBROIPGFJ-BBWFWOEESA-N 373.225 4.073 30 50 FIEA Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)cn1 6925522 RBNMSCDAKCAGCS-AATRIKPKSA-N 360.772 4.281 30 50 FIEA CC(=O)OC/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257358595 VGCBLRRJSISBJV-DVWFESLQSA-N 370.489 4.187 30 50 FIEA Cc1csc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)n1 5331164 ZEIVRNDVKZFRCD-UHFFFAOYSA-N 372.500 4.178 30 50 FIEA O=C1C[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4986795 LVBPMQKJMOFEGK-TZMCWYRMSA-N 357.862 4.406 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(F)c1 170618306 XRAWKYVGSWGGLT-WIYYLYMNSA-N 368.404 4.154 30 50 FIEA C=CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)cc1 212794913 LRBFSQDDOLCXQC-PKTZIBPZSA-N 362.517 4.348 30 50 FIEA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1OC 1170097 FBKRCOGMORAUHG-NRFANRHFSA-N 350.418 4.290 30 50 FIEA O=S(=O)(/N=C(/Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 4825614 UKHAKFLHTXDJOI-UHFFFAOYSA-N 354.406 4.073 30 50 FIEA COc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)c(OC)c1 33906909 LAAZTRFINMWDHF-YVNNLAQVSA-N 368.462 4.033 30 50 FIEA C=CCOc1c(Cl)cc(CN[C@@H](C)Cc2cnccn2)cc1Cl 55073262 RYCJTKXKYUQHPJ-LBPRGKRZSA-N 352.265 4.069 30 50 FIEA CCN1C[C@H](c2ccccc2)CC2(CCN(c3ncccc3C#N)CC2)C1 96150407 XPDUWLRSZUOANC-OAQYLSRUSA-N 360.505 4.049 30 50 FIEA O=C1/C(=C/c2ccc(O)c(Cl)c2)Oc2ccc(Br)cc21 299738256 ODEDIBYBPOCSGB-NSIKDUERSA-N 351.583 4.424 30 50 FIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2)C1=O 4477815 NKFXDAVGQGEWMF-SSZFMOIBSA-N 351.427 4.230 30 50 FIEA CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(F)cc2)C1=O 4478218 ZAQVCMBJJGFCKH-VBKFSLOCSA-N 369.417 4.369 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)s1 4728361 VFNJUJQCNVHVPY-LJQANCHMSA-N 373.518 4.478 30 50 FIEA COc1ccc(/C=C/C(=O)c2ccnn2C)cc1CSc1ccccn1 6827507 IZWDXINWYZEJMB-SOFGYWHQSA-N 365.458 4.012 30 50 FIEA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3C#N)CC2)c1 77407566 KLBDFCWVTPSUFA-UHFFFAOYSA-N 370.456 4.277 30 50 FIEA N#Cc1cc(Cl)ccc1CN1CCC(c2c[nH]c3ncccc23)CC1 187258557 MKZDCTFQJOVVIC-UHFFFAOYSA-N 350.853 4.468 30 50 FIEA CCCc1nc(CN(CC)C(=O)c2cccc(-c3ccc(C#N)cc3)c2)no1 426523431 JNDSXWWWVQJKKN-UHFFFAOYSA-N 374.444 4.223 30 50 FIEA CSc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 706360 IOJXSUGEXKRQCV-UHFFFAOYSA-N 355.426 4.202 30 50 FIEA S=C(N/N=C/c1ccccc1Br)Nc1cccc(Cl)c1 4360410 LVZGXAIVMNHHAK-RQZCQDPDSA-N 368.687 4.423 30 50 FIEA C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1sc(N)nc1C 37866073 KFASRVYKFQTKAB-JXMROGBWSA-N 369.519 4.284 30 50 FIEA CC(=O)OC/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257358597 VGCBLRRJSISBJV-ONVXHXKLSA-N 370.489 4.187 30 50 FIEA COc1ccc(/C=C/C=N/n2c(SC)nnc2-c2ccccc2)cc1 4302741 GAMKVIYNKLLUBV-WTOFFKHVSA-N 350.447 4.223 30 50 FIEA CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257358315 STFBFHOUSNLMSV-PVFWJXPUSA-N 374.521 4.057 30 50 FIEA Cc1cc2ncc(/C(O)=N/[C@@H]3CCCc4sc(Cl)cc43)c(C)n2n1 329289014 QGEYNDNJLLDZPV-CYBMUJFWSA-N 360.870 4.443 30 50 FIEA Cc1cc(F)ccc1C1CCN(/C(O)=N/C[C@@H]2CCCn3ccnc32)CC1 330193026 AFDAOAMVBPCDOX-KRWDZBQOSA-N 370.472 4.002 30 50 FIEA CC1(C)CC(=O)C2(OC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)C(=O)C1 1190863 XRPCPBCTFAGAJR-HXUWFJFHSA-N 366.457 4.141 30 50 FIEA O=C(O)c1ccc(C/N=C2\c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 5942276 HLDLOYGUYMHNOP-WBCOUHNMSA-N 355.393 4.354 30 50 FIEA O=C1C=C/C(=N\Nc2cc(C(F)(F)F)ccc2Cl)c2cccnc21 12625480 KOFFEDZMZSABKF-WSDLNYQXSA-N 351.715 4.323 30 50 FIEA O=C1/C(=C\NCc2ccccc2)Nc2ccc(Br)c(Cl)c21 100392292 NMSVRZXJMKXHSI-UKTHLTGXSA-N 363.642 4.342 30 50 FIEA CCC(CC)CC(=O)NCCC1CCN(Cc2ccccc2C#N)CC1 2325868270 VBPYCCOVYDTEBX-UHFFFAOYSA-N 355.526 4.103 30 50 FIEA N#CC(CCN1C(=O)c2ccccc2C1=O)(c1ccccc1)c1ccccc1 3844505 JHNJAXCLLMGJMS-UHFFFAOYSA-N 366.420 4.183 30 50 FIEA biogenic C/C(=N\N1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccccc1O 101358569 TXEVLGXTEJXXDR-SGSZHJQISA-N 357.413 4.383 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 2796123 IXMNYIHAAXPSQQ-HXUWFJFHSA-N 369.461 4.006 30 50 FIEA O=C1N/C(=N\Nc2ccccc2)S/C1=C\c1cccc(Br)c1 2893174 XVFIRMKUFOQPLN-UVTDQMKNSA-N 374.263 4.036 30 50 FIEA COc1ccccc1Oc1ccccc1NC(=O)N1CCC[C@H](C#N)C1 299802447 WQGWPTRDPWUUQS-OAHLLOKOSA-N 351.406 4.255 30 50 FIEA CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccccc2)C1=O 4670405 HMDDLVFBXKPGEV-VBKFSLOCSA-N 369.417 4.369 30 50 FIEA C=CCN(CC=C)C(=O)c1csc2nc(-c3ccc(CC)cc3)cn12 11662358 ZBDNFWYDCOMQPP-UHFFFAOYSA-N 351.475 4.439 30 50 FIEA N#Cc1ccc(N2CCC(c3ccccc3CO)CC2)c(Br)c1 2325749271 XHZWGSAPSWQRJA-UHFFFAOYSA-N 371.278 4.197 30 50 FIEA CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 4737168 JDBNIHIEIGDXEZ-XUTLUUPISA-N 360.523 4.256 30 50 FIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1 5694977 IDOGFLWNNKGIOQ-FYJGNVAPSA-N 369.469 4.475 30 50 FIEA N#Cc1c(NC(=O)Cc2ccc(Br)cc2)sc2c1CCC2 17074374 LXZURUDHHFFVDX-UHFFFAOYSA-N 361.264 4.052 30 50 FIEA N#Cc1nc(-c2ccccc2Cl)oc1N1CCN(c2ccccc2)CC1 2363335 GCTULOYKUYEIBX-UHFFFAOYSA-N 364.836 4.193 30 50 FIEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1 2468955 YONPZOTXVLIQRE-LEWJYISDSA-N 360.457 4.236 30 50 FIEA CC(C)c1csc([C@@H]2CCCN(/C(O)=N/[C@H](C)[C@H]3CCCOC3)C2)n1 329530987 WDJMIXHRUZEENE-OAGGEKHMSA-N 365.543 4.175 30 50 FIEA CCN1C[C@H](c2ccccc2)NC1=NCc1ccc2cc(OC)ccc2c1 2325864612 UALWMCYZLDXMPA-JOCHJYFZSA-N 359.473 4.371 30 50 FIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)cc1 6819679 XWCQGZOPMHBJJZ-MJGOQNOKSA-N 361.441 4.008 30 50 FIEA Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 71747320 YNDIUTHGEYESGM-MRXNPFEDSA-N 373.378 4.380 30 50 FIEA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 426474409 ULHYLLQXPFHNOW-FQEVSTJZSA-N 366.436 4.396 30 50 FIEA Cc1cc(C)cc(OCc2ccc(/C=C/C(=O)c3cc(C)nn3C)o2)c1 6922062 UVPWXOHHVOIYKH-BQYQJAHWSA-N 350.418 4.413 30 50 FIEA CCn1ccnc1Cn1ccc(-c2cccc(-c3ccccc3C#N)c2)n1 20859159 OJTREFNKOLPIPE-UHFFFAOYSA-N 353.429 4.353 30 50 FIEA N#CC1(Nc2cccc(Cl)c2)CCN(C(=O)OCc2ccccc2)CC1 202995306 POLPZRHGWYMMSI-UHFFFAOYSA-N 369.852 4.447 30 50 FIEA OC(=Nc1nc(C2CCOCC2)cs1)N1CCC[C@H]1c1ccsc1 329431764 KKGCSHBQGSAYGA-HNNXBMFYSA-N 363.508 4.481 30 50 FIEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cc(COc2c(F)cccc2F)on1 1565506344 VZNMZPJGXVZBLH-KBPBESRZSA-N 374.387 4.267 30 50 FIEA O=C(O)CCOc1cccc(/C=N/OCc2ccc(C(F)(F)F)cc2)c1 1875265330 SKTCWTVDOPFBKO-SSDVNMTOSA-N 367.323 4.110 30 50 FIEA NCC[C@@H](F)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 2325772996 GCSFFBDMNQKOAU-SECBINFHSA-N 357.229 4.134 30 50 FIEA C=C(C)CN(CC)C(=O)c1ccc(-c2cccc(CNC(C)=O)c2)cc1 426707515 WGOZQOUPZOZPPZ-UHFFFAOYSA-N 350.462 4.028 30 50 FIEA O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N/Nc2cccc(F)n2)c([N+](=O)[O-])c1 100475135 XKXUVHGBUPCOEW-SXPRPLFSSA-N 373.344 4.163 30 50 FIEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)cc1 1473664 FDHREDWHQNDUKI-RGVLZGJSSA-N 368.462 4.199 30 50 FIEA Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)c(Cl)c1 1093744 KZMNEUDJPXGUHK-LIMNOBDPSA-N 370.243 4.470 30 50 FIEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 2209788 ROGFDQMMJNCVNA-GIJQJNRQSA-N 373.825 4.360 30 50 FIEA C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(C)(C)OC3 2293127 OPDVTKCTQTVNNS-UHFFFAOYSA-N 362.520 4.164 30 50 FIEA N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1N1CCOCC1 20386015 QHFHBNAQKMWIPI-UHFFFAOYSA-N 367.758 4.129 30 50 FIEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2c(F)cccc2F)C1 1857737737 AMBOVCRJXYBHKX-INIZCTEOSA-N 372.415 4.136 30 50 FIEA CC/C(O)=N/S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1 5761797 TZRHLKRLEZJVIJ-UHFFFAOYSA-N 370.430 4.372 30 50 FIEA world COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Cl)c2)cc1OC 1475968 VLMIOPKYZSJVTI-VXLYETTFSA-N 374.853 4.160 30 50 FIEA O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1Cl 13590592 VRUGWFRVJHESGT-CQSZACIVSA-N 351.258 4.455 30 50 FIEA CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257358316 STFBFHOUSNLMSV-RURQQMJZSA-N 374.521 4.057 30 50 FIEA N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1cccc(Cl)c1 4685104 DIWODQGMGDIIRK-UHFFFAOYSA-N 357.624 4.319 30 50 FIEA N#Cc1cn(Cc2ccc(F)c(Cl)c2)c2c(F)c(F)c(F)cc2c1=O 253419361 QCRLUNCJSNYLFX-UHFFFAOYSA-N 366.701 4.131 30 50 FIEA Cc1ccc([C@@H]2C[C@H](C)N(C(O)=Nc3c[nH]nc3-c3nccs3)C2)cc1 330190746 MPPAPXBAMHJVQA-DZGCQCFKSA-N 367.478 4.265 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1cccs1 702704 FEQIAUJFXZYEHS-OAHLLOKOSA-N 371.439 4.181 30 50 FIEA Cc1cc(C)c(C#N)c(SC[C@H](O)CSc2ccc(Cl)cc2)n1 1143880 UIKKQYCFJYNHMV-CQSZACIVSA-N 364.923 4.469 30 50 FIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 4916048 MUVMMCBVNFXELM-GDBMZVCRSA-N 367.470 4.151 30 50 FIEA Cc1cc(C)c([N+](=O)[O-])c(C)c1-c1c(C#N)c(N)nc2c1CCCCC2 19608508 HQQXLJAGVOTZBM-UHFFFAOYSA-N 350.422 4.305 30 50 FIEA CCOC(=O)c1cc(C#N)c(NCc2ccccc2)nc1-c1ccccc1 20365476 LGPOPIIEQFYLKX-UHFFFAOYSA-N 357.413 4.409 30 50 FIEA CC1(C)C[C@H](c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)CCO1 71774825 GVPBMQKEEWXZBP-SNVBAGLBSA-N 361.367 4.292 30 50 FIEA COc1ccccc1C=Nn1c(S)nnc1-c1ccc(C(C)(C)C)cc1 239030795 CISDPLLALZSHJW-UHFFFAOYSA-N 366.490 4.422 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3C[C@@H]3O[C@@]32C1 257356693 JRCRFBRVIWOWLF-JFJGVCOUSA-N 374.521 4.297 30 50 FIEA Brc1ccc(/C=N/N=c2\[nH]c(-c3ccccc3)cs2)cc1 4837504 BRNREFAZMCBAEM-VCHYOVAHSA-N 358.264 4.441 30 50 FIEA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)cc1 6819586 HHHLNLRZTGFDDE-HKUYNNGSSA-N 361.441 4.008 30 50 FIEA CC1(C)CCc2sc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nc21 333480522 FNKJNPDVCNNRAH-CABCVRRESA-N 366.490 4.138 30 50 FIEA C=CCc1ccccc1OCCOc1ccc(C=O)cc1Br 2866743 SKXYVEWRAGXFHQ-UHFFFAOYSA-N 361.235 4.448 30 50 FIEA N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1cccnc1 4306566 HKHMBUPDHWJZLX-UHFFFAOYSA-N 362.414 4.141 30 50 FIEA Cc1cc2c(cc1N=C(O)N1CCCC[C@@H]1Cc1ccccc1)OCO2 329700792 GXTKCOYDQHRPCL-QGZVFWFLSA-N 352.434 4.366 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)N=N1 2325892603 UARPUKBQPXBXDD-UHFFFAOYSA-N 366.396 4.094 30 50 FIEA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 1058684 CDOBKEPDCHOTLR-FQEVSTJZSA-N 351.446 4.140 30 50 FIEA COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(C)=O 3904913 JFBBETBZJKIRAQ-QFIPXVFZSA-N 362.429 4.222 30 50 FIEA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 77375153 ZARMEUVXIPSSNT-UHFFFAOYSA-N 370.456 4.277 30 50 FIEA N#Cc1ccc(/C=C2/N=C(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)OC2=O)cc1 207723749 HVNRXKIESXXPQV-QYWDUPJHSA-N 366.848 4.432 30 50 FIEA Cc1cc(N2CCC[C@@H](/N=C(/O)CC3CC(c4ccccc4)C3)C2)n(C)n1 328847865 VUIVEZALDQIFFH-LYBXBRPPSA-N 366.509 4.238 30 50 FIEA CC1(C)OB(c2cc(Br)cc(-c3ccccc3)c2)OC1(C)C 584906606 HVVGOHGOGLAJKR-UHFFFAOYSA-N 359.072 4.415 30 50 FIEA C=CCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 2677513 QCFGEEWEAAMWTN-UHFFFAOYSA-N 354.475 4.103 30 50 FIEA CCc1c(C)sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c1C#N 2747974 FYALOFBTLMVNNL-UHFFFAOYSA-N 372.343 4.065 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)cc1O 4597182 WZKFCLIAPDQRKJ-HXUWFJFHSA-N 350.418 4.320 30 50 FIEA CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4914578 UADDQDCHQPKKMB-HKUYNNGSSA-N 363.432 4.392 30 50 FIEA COc1ccc(/C=C\C(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 4997300 MOJZHZLCHIGRNF-IEODJVTJSA-N 350.336 4.118 30 50 FIEA N=C(O)[C@@H]1CCCCC[C@@H]1/N=C(/O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 328760348 XECNESOOEUIBHR-WZGPROSRSA-N 373.497 4.142 30 50 FIEA Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccccc1Cl 20150262 LUTXIHFTNWRKIR-SNVBAGLBSA-N 368.849 4.186 30 50 FIEA CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 2894870 PALIEPTWRRGFKU-LJQANCHMSA-N 357.425 4.137 30 50 FIEA N#Cc1cc(F)cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 77503259 QUQKCBIXWBDMMY-UHFFFAOYSA-N 358.800 4.034 30 50 FIEA O=C1CCC(C#CC(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 2325771105 RIOUJRAZOCSZAP-UHFFFAOYSA-N 364.470 4.075 30 50 FIEA CCCN(CCC)c1ccc(/C=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2826195 NJZDFDCUCZOABE-RCCKNPSSSA-N 369.421 4.412 30 50 FIEA C[C@@H](C(=O)c1ccc(Cl)cc1)[n+]1cccc(NC(=O)c2ccccc2)c1 3098775 ICRPKZSHXGASJV-HNNXBMFYSA-O 365.840 4.324 30 50 FIEA C#CCN(Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C)C1CCCCC1 20997256 BBWMLWZPJDCVHV-UHFFFAOYSA-N 366.461 4.205 30 50 FIEA C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1cccs1 22553995 YUZJKYFZDZVAHH-PTGBLXJZSA-N 361.514 4.489 30 50 FIEA N#C[C@@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@]12CCCCO2 328594601 XNPDKRVBZARFDB-WMLDXEAASA-N 353.249 4.061 30 50 FIEA Cc1cc(C)c(C#N)c(-c2cccc(C(=O)N(C)Cc3c(C)noc3C)c2)n1 426445433 CPVRCZSUHCUOPF-UHFFFAOYSA-N 374.444 4.114 30 50 FIEA C#CCCC1(CCC(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)N=N1 952883265 YGXBPPSQSNJJHZ-QZTJIDSGSA-N 353.466 4.047 30 50 FIEA Cc1noc([C@@H]2CCN(c3oc(-c4cccc5ccccc45)nc3C#N)C2)n1 1857798911 GCKJUFCXCZGPEF-OAHLLOKOSA-N 371.400 4.052 30 50 FIEA Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCC#Cc1cccnc1 2325742488 RAWOTVIMGLGLFI-UHFFFAOYSA-N 364.489 4.014 30 50 FIEA Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1Cl 1212969 DGLFEMWNVNYEDL-LIMNOBDPSA-N 370.243 4.470 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccccc1 5593781 FVRYMKDHGYPBNP-IBGZPJMESA-N 374.371 4.004 30 50 FIEA C=CCN(Cc1ccccc1OCC)C(=O)c1nc2c(C)cccn2c1F 55119467 ILGSTGGYWVLARV-UHFFFAOYSA-N 367.424 4.009 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCC[C@H](OCc3cccnc3)C2)o1 72146119 FGAHBCYKOIIUSK-FQEVSTJZSA-N 373.456 4.394 30 50 FIEA COc1ccc(-c2nnc(S)n2N=C/C(Cl)=C/c2ccccc2)cc1 252429523 ZHBYKSVJOSXGLA-RJAGYNMQSA-N 370.865 4.356 30 50 FIEA COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1 1190804 KSZJPQHIPKEEMF-NXZHAISVSA-N 354.402 4.017 30 50 FIEA biogenic,in-vitro CN1CCc2nc(SCc3ccccc3C(F)(F)F)c(C#N)cc2C1 20000556 QWKMUEVMKZQWFR-UHFFFAOYSA-N 363.408 4.252 30 50 FIEA N#Cc1ccc(F)c(Cn2cnc3cc(-c4ccccc4)sc3c2=O)c1 121393702 HQMXIQCQGSNIMQ-UHFFFAOYSA-N 361.401 4.184 30 50 FIEA C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CCc1ccccc1 5610587 UNMNQJGQYLXPDS-LAUBAEHRSA-N 354.450 4.138 30 50 FIEA C=CCN(CC=C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 14953332 SBXSCHRPPJGZQJ-UHFFFAOYSA-N 350.393 4.372 30 50 FIEA C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=S 2971286 NQELQHGZDXYMJE-GDNBJRDFSA-N 371.439 4.032 30 50 FIEA Clc1ccc(-c2cs/c(=N/N=C/c3ccc4c(c3)OCO4)[nH]2)cc1 5770104 FHRQKJRFJRVOQR-UFWORHAWSA-N 357.822 4.060 30 50 FIEA C=C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@@]21C 253617059 RSBPOYAJCVXJON-LVNJTEGBSA-N 374.521 4.009 30 50 FIEA CC[C@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C#CC(C)(C)O)o1 55090329 ILXGZNQBHBLXQO-HNNXBMFYSA-N 373.880 4.496 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCO[C@H](Cc3ccccc3)C2)o1 71763025 JFSPBFCRTZNXDD-OAQYLSRUSA-N 358.441 4.262 30 50 FIEA COc1ccc(Br)cc1/C=C/C(=O)c1cccc(NC(C)=O)c1 4649216 RHMMDOMDGHZIEE-SOFGYWHQSA-N 374.234 4.312 30 50 FIEA CCOc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1OC 5408580 LTIZFSZOUXLACB-RGVLZGJSSA-N 372.425 4.036 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccc(OC)c1 170615340 IJGOEWYYVDPYCC-RBBKRZOGSA-N 364.441 4.323 30 50 FIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 20604807 AZOKGMLJCQCAEJ-UHFFFAOYSA-N 369.393 4.387 30 50 FIEA C=C(C)COc1c(CNCc2nc3cc(OC)ccc3o2)cccc1OC 65376044 OYGOYPMDQVGWCX-UHFFFAOYSA-N 368.433 4.090 30 50 FIEA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 4750087 PZOFNWUCEWCCMZ-NSHDSACASA-N 360.866 4.476 30 50 FIEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)SC1=S 13810245 JVDOYFNUDPGATA-BOPFTXTBSA-N 370.499 4.187 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccsc1 15446565 JGRLZEOGHJGDJL-MJGOQNOKSA-N 356.443 4.076 30 50 FIEA CCCCc1ccc(N/N=C(\C(C)=O)C(=O)Nc2ccccc2OC)cc1 100164445 DPEZIXRBRKFPDQ-HIXSDJFHSA-N 367.449 4.033 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cccc(C)c1 252488842 JAFFBASWDNJIAJ-UGKGYDQZSA-N 364.441 4.323 30 50 FIEA Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc(C#N)cc4Cl)C3)nc2c1 302111263 AMKOMNCIOFLEKP-CQSZACIVSA-N 351.841 4.175 30 50 FIEA Cc1cc(/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)s1 328609008 BWUFCPHZQLPTCI-OAHLLOKOSA-N 363.483 4.344 30 50 FIEA O=C1C(Cl)=C(Nc2ccccc2)C(=O)C(Cl)=C1Nc1ccccc1 1687584 GLYBJBRBLQVBDK-UHFFFAOYSA-N 359.212 4.263 30 50 FIEA O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(N2C(=O)C=CC2=O)cc1 74941619 PBWZUJOZJNTWLR-CMDGGOBGSA-N 372.207 4.319 30 50 FIEA C[C@@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2C#N)CC1 170625325 IVGNIFOSJQQLFM-BEFAXECRSA-N 352.507 4.457 30 50 FIEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccc(OC)cc2)CC1 2325806750 DRAPTHZUARUQTH-VGSWGCGISA-N 359.510 4.145 30 50 FIEA Cc1ccc2c(C)nc(NC(=N)/N=C(\O)Cc3ccc(Cl)cc3)nc2c1 16995623 INZNPXHWACTNAT-UHFFFAOYSA-N 367.840 4.446 30 50 FIEA biogenic,in-vitro C=CCn1c(SCC(=O)c2ccc(CC)cc2)nnc1-c1ccncc1 3612315 FRKLBMPDJZRKPD-UHFFFAOYSA-N 364.474 4.064 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(Cl)c[nH]c1=O 55341123 NJQYNGKYKABHIX-AEFFLSMTSA-N 354.837 4.116 30 50 FIEA CN(CC#N)C(=O)c1c2c(nc3ccccc13)C(=Cc1ccccc1)CC2 1857533179 IHAXGCFWPKOERD-UHFFFAOYSA-N 353.425 4.317 30 50 FIEA N#C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1 891985 WETRTPSBTOVHDT-SFHVURJKSA-N 355.235 4.104 30 50 FIEA CC[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3C)c2C#N)C1 2764434 MFQYJZKDQKBSHL-CQSZACIVSA-N 354.475 4.461 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2cnc(C)cn2)c(C)n1 65374582 HWYLLMNZKWXKMF-UHFFFAOYSA-N 370.460 4.055 30 50 FIEA C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1 100353131 CWFPVUQTQRHKSR-HOOMGSECSA-N 350.443 4.485 30 50 FIEA CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 254504908 IWRPVTXREVYBHT-ZDFQMMKCSA-N 372.505 4.265 30 50 FIEA C=CCOc1ccc(Cl)cc1CN1CCCN(Cc2ccncc2)CC1 952961375 PDYRWGYMJOLFHK-UHFFFAOYSA-N 371.912 4.008 30 50 FIEA C=C1CC[C@](C(=O)OCC)(c2ccccc2)c2cc(OC)c(OC)cc21 622805 PNBDEGKODVWCHP-QFIPXVFZSA-N 352.430 4.360 30 50 FIEA CCCNC(=O)c1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)cnn1C 2798120 JQCNBGDOKLULGM-SSDVNMTOSA-N 370.840 4.224 30 50 FIEA O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6819494 PBBIXQVGJHKPFN-CJNGLKHVSA-N 369.823 4.483 30 50 FIEA N#CC1(Nc2ccc(Br)cc2)CCN(Cc2ccccc2)CC1 95628795 MGCGEPFSAYSXOO-UHFFFAOYSA-N 370.294 4.419 30 50 FIEA in-vitro N#Cc1ccc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1O 444761843 PLIJEPXJFKBHBQ-CQSZACIVSA-N 372.705 4.090 30 50 FIEA CCOc1cc(C#N)c(NC(=O)c2ccccc2OCC)cc1OCC 720779 SDEXHIROVLDWIG-UHFFFAOYSA-N 354.406 4.007 30 50 FIEA C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O 981885 KGJMJLRGHYEHPT-GXDHUFHOSA-N 367.854 4.360 30 50 FIEA Fc1ccc(NC(=S)N/N=C/c2cc3ccccc3nc2Cl)cc1 2597717 RGTSIUCBSMOFOM-KEBDBYFISA-N 358.829 4.348 30 50 FIEA CCOC(=O)c1ccc[n+]([C@H](C)C(=O)c2ccc(-c3ccccc3)cc2)c1 2894338 SOMXSHYNFUISMJ-QGZVFWFLSA-N 360.433 4.262 30 50 FIEA CC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 227196188 BOSYLVLSCRTKPW-HBMCJLEFSA-N 373.843 4.456 30 50 FIEA N#Cc1cc(N2CCCC3(CC3)C2)cc(N2CCCC3(CC3)C2)c1[N+](=O)[O-] 302240447 HXCPCLZFOWGWMX-UHFFFAOYSA-N 366.465 4.227 30 50 FIEA OC1=NCCc2ccc(C/N=C(/O)[C@@H]3C[C@@]34CCCc3ccccc34)cc21 329415702 FZJPXVHJPFDUPV-NZQKXSOJSA-N 360.457 4.298 30 50 FIEA C=CCSC1=N/C(=C\c2ccc(OC)c(Br)c2)C(=O)S1 3003350 HSQIHRYAVDOUPW-FLIBITNWSA-N 370.293 4.347 30 50 FIEA O=[N+]([O-])c1cc(/C=N/Nc2nnc(Cl)c3ccccc23)ccc1Cl 4853585 JXXDVEVTXOTSOZ-QGMBQPNBSA-N 362.176 4.291 30 50 FIEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc12 58487351 LZEIKPVKWHAHNK-HKHXBQBMSA-N 362.473 4.126 30 50 FIEA Cc1ccc(-c2noc(CCn3ccnc3-c3cccc(C#N)c3)n2)cc1 72428925 DHFRXAWTOQXLAR-UHFFFAOYSA-N 355.401 4.023 30 50 FIEA Cc1cccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c12 169746311 HXLUJYZTBWUMMP-UHFFFAOYSA-N 357.259 4.032 30 50 FIEA in-vitro N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1cccc(Br)c1 637509 CTXXSALGPVWWTB-QGZVFWFLSA-N 353.219 4.469 30 50 FIEA CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 792575 UXFSLKBMDBAYDW-GOSISDBHSA-N 359.491 4.088 30 50 FIEA Oc1ccccc1/N=C/c1cc(Br)cc(Br)c1O 100456603 GOIOELRBKMZABG-FRKPEAEDSA-N 371.028 4.373 30 50 FIEA C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1476401705 PBZIKGPNUOILNV-HUUCEWRRSA-N 369.444 4.221 30 50 FIEA Cc1cc(NC(=O)c2ccc(C#N)cc2)n(Cc2ccccc2Cl)n1 1875240864 IQFDNKJENBGSLZ-UHFFFAOYSA-N 350.809 4.017 30 50 FIEA C[C@@H]1CN(c2cccc(-n3cccc3)c2C#N)CCN1Cc1ccccc1 2325867770 FRKOPOMDBPCQRR-LJQANCHMSA-N 356.473 4.060 30 50 FIEA N#C[C@H](C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 1622558 OAMVGGBWDYDFAD-INIZCTEOSA-N 360.335 4.301 30 50 FIEA CC(C)c1csc([C@@H]2CCCN(/C(O)=N/[C@H](C)[C@H]3CCCCO3)C2)n1 329437194 JKZYAIOEJZMHTE-BFYDXBDKSA-N 365.543 4.318 30 50 FIEA N#Cc1cc(F)cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)c1 670446952 POKQWQJFVDTKSH-NRFANRHFSA-N 365.452 4.044 30 50 FIEA Cc1nc([C@@H](C)N(C)C(=O)CC2=C(c3ccccc3)CCC2=O)c(C)s1 1506407011 SZOFUESAIXQPDG-CYBMUJFWSA-N 368.502 4.486 30 50 FIEA N#Cc1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67841724 PXUJAUMFDWURAM-KRWDZBQOSA-N 361.228 4.079 30 50 FIEA N#Cc1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)c1 95352459 AEXOKDPRXOZFSV-OAQYLSRUSA-N 372.516 4.192 30 50 FIEA CC(=O)N(c1nc(/C=C/C(=O)C(F)(F)c2ccccc2)cs1)C1CC1 864096952 FWYULOOMTCKYIO-JXMROGBWSA-N 362.401 4.033 30 50 FIEA C[C@@H]1Cc2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2O1 1477139619 MENOGNCGKQFZGT-YSGRDPCXSA-N 361.445 4.314 30 50 FIEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2ccccc2C#N)CC1 2325806923 OJJWIVWPCXGFMB-HTAPYJJXSA-N 354.494 4.008 30 50 FIEA N#C[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)N1c1ccccc1 987616 MZMLCGNXJWVCLC-QHCPKHFHSA-N 354.409 4.421 30 50 FIEA Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)c2C#N)cc1 1190955 VASSGVOUPZDXHR-UHFFFAOYSA-N 353.381 4.383 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 2190453 KHABYOCUEVTHBL-IBGZPJMESA-N 357.450 4.145 30 50 FIEA Fc1c(F)c(F)c(/C=N/Nc2nnc(Cl)c3ccccc23)c(F)c1F 4947479 MUWNSRFWKYARQE-RREIPUBJSA-N 372.684 4.425 30 50 FIEA COc1ccc(-c2c(C)sc(NC(=O)C[C@H](C)CC(=O)O)c2C#N)cc1 17076276 BAYROJBPDKUBPZ-NSHDSACASA-N 372.446 4.043 30 50 FIEA C[C@H](/N=C(/O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2)c1cccs1 328654747 XTTFQWPDIRIYCA-WMLDXEAASA-N 372.538 4.215 30 50 FIEA C=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 2983855 XUDWFCSQAKNFKC-UHFFFAOYSA-N 363.797 4.443 30 50 FIEA CC#CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cccc1Cl 12580809 IIXNVMUWNVRSRE-OAQYLSRUSA-N 366.823 4.458 30 50 FIEA N#Cc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1 253470574 JMDVGTCUJCOFOK-UHFFFAOYSA-N 369.472 4.314 30 50 FIEA C=CCSC1=N/C(=C\c2cc(OC)ccc2Br)C(=O)S1 3000652 ZAPXIFWDPQAJFW-WQLSENKSSA-N 370.293 4.347 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(O)c1 635028 KOPUTNSMUCFAMZ-UHFFFAOYSA-N 365.473 4.365 30 50 FIEA COc1ccc(/C=N/N=C2\N=C(O)/C(=C\c3ccc(OC)cc3)S2)cc1 7067321 FPSVFIMMSKYNGH-WYRLOYKNSA-N 367.430 4.138 30 50 FIEA C[C@]12CC[C@@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C 575626893 METQSPRSQINEEU-OIBOXIMKSA-N 366.501 4.306 30 50 FIEA CCCOc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 7712425 OLKVYMIQANLRGH-UDWIEESQSA-N 356.426 4.044 30 50 FIEA C#CCCC1(CCNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)N=N1 2325893720 WKGBCHBCIVINFY-QGZVFWFLSA-N 362.477 4.410 30 50 FIEA Cc1cc(I)ccc1NC1=CC(=O)CC(C)(C)C1 1185180 GNVTZLHZDRZPDG-UHFFFAOYSA-N 355.219 4.285 30 50 FIEA CCN(CC)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 15658672 VAJRCAYXNHKPOX-QJOMJCCJSA-N 370.928 4.342 30 50 FIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 20604813 ITQDFWPDTKZZMV-UHFFFAOYSA-N 351.403 4.306 30 50 FIEA CC1(C)CC(=O)C(=CNc2ccc(-c3cn4ccsc4n3)cc2)C(=O)C1 121018726 CEEOTNTZVNWQMN-UHFFFAOYSA-N 365.458 4.317 30 50 FIEA N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(F)cc2)cc1C(F)(F)F 181056024 YSVDZYPLTYRHCR-CQSZACIVSA-N 354.328 4.035 30 50 FIEA CC1(C)OB(C2CCN(Cc3ccc4cnccc4c3)CC2)OC1(C)C 1875366833 IYBJGFSZENDQHL-UHFFFAOYSA-N 352.287 4.293 30 50 FIEA C#CCCC1(CCC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)N=N1 1875381730 FVDWZEIVZAMMDH-UHFFFAOYSA-N 361.449 4.181 30 50 FIEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)SC1=S 1173917 WHKUGZDEXAPPCA-YRNVUSSQSA-N 360.287 4.389 30 50 FIEA Cc1nn(C)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 6527228 BEVPGVCHHUNSME-DJKKODMXSA-N 358.854 4.446 30 50 FIEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cc1 12712168 GIMDRTRAQBFLSJ-QFIPXVFZSA-N 366.480 4.025 30 50 FIEA C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 18136350 IIOIJDNOAKUQCN-UHFFFAOYSA-N 368.458 4.104 30 50 FIEA N[C@H](COc1ccc(C(F)(F)F)cn1)c1ccc(F)c(C(F)(F)F)c1 1875304151 BMWUFUCHGBMXGS-GFCCVEGCSA-N 368.252 4.337 30 50 FIEA CCOc1cc(C#N)c(NC(=O)COc2ccccc2Cl)cc1OCC 1080810 DVLFVZZFHQWYOS-UHFFFAOYSA-N 374.824 4.027 30 50 FIEA CC(=O)C(=CNc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C(C)=O 712616 SUBCAKYBVXKCBV-UHFFFAOYSA-N 359.429 4.322 30 50 FIEA COc1ccc(/C=N/n2c(-c3ccccc3C)nc3ccccc3c2=O)cc1 2847332 ZMUDSARWIPYPAZ-BUVRLJJBSA-N 369.424 4.263 30 50 FIEA O=C(O)c1ccc(N/N=C/c2nc3ccccc3n2Cc2ccccc2)cc1 4725927 XXMUGLFDRVLZQX-OEAKJJBVSA-N 370.412 4.229 30 50 FIEA CCn1ccc(C(=O)/C=C/c2ccc(COc3ccc4c(c3)CCC4)o2)n1 6637303 ULQSTNCBJMYBOG-ZHACJKMWSA-N 362.429 4.460 30 50 FIEA CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(OC)c1 170615327 KMGWWEBCUHEZAE-MJGOQNOKSA-N 356.443 4.076 30 50 FIEA Cn1cc(N=C(O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(-c2ccccc2)n1 329945852 JGYFYHCAEGBMDS-CQSZACIVSA-N 366.387 4.295 30 50 FIEA C=CCN1C[C@H](C)N(C(=O)c2cccc(-c3ccc(NC)cc3)c2)C[C@@H]1C 1565527439 NHZFVJBUPTYOOS-ROUUACIJSA-N 363.505 4.116 30 50 FIEA O=S(=O)(O)CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 3110493 BBNSCFVDGDDQRS-GDAWTGGTSA-N 374.487 4.121 30 50 FIEA COc1ccc(Br)cc1/C=C/C(=O)c1ccc(NC(C)=O)cc1 4649211 QBDZKEQCGYZKQO-WEVVVXLNSA-N 374.234 4.312 30 50 FIEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl 6166196 DUCRVTJLLPUYOG-DJKKODMXSA-N 362.817 4.291 30 50 FIEA C[C@]1(O)CCCN(/C(O)=N/CCc2cccc(-c3ccccc3)c2)CC1 329919053 RKASFRQMIHNOAB-QFIPXVFZSA-N 352.478 4.047 30 50 FIEA N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 470890383 VLDKVLBWMZZHFD-SFHVURJKSA-N 368.396 4.067 30 50 FIEA COC(=O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1 636709 NLFWFWIYCFFDBN-UHFFFAOYSA-N 358.349 4.196 30 50 FIEA CCOc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1OC 5959759 AXTVPMPPLMESMI-UDWIEESQSA-N 368.462 4.206 30 50 FIEA COc1cc(/C=C\C(=O)/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1 33675459 VXKNQOUEXUHOLI-CGXWXWIYSA-N 354.402 4.017 30 50 FIEA N#Cc1c(-c2cccnc2)cc(-c2cnn(-c3ccc(Cl)cc3)c2)nc1N 71762383 KHSHGMBZIQHXDB-UHFFFAOYSA-N 372.819 4.104 30 50 FIEA C[C@@H]1CCc2ccccc2N1CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 328593248 GNPWKQWIORCKPH-QAPCUYQASA-N 368.440 4.065 30 50 FIEA Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)c1 860538 GRXKWLYYCFSSAW-UHFFFAOYSA-N 351.475 4.261 30 50 FIEA Cc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1170857 TULVDZTYRLPZLS-UHFFFAOYSA-N 371.356 4.301 30 50 FIEA O=[N+]([O-])c1ccc(N/N=C2\CCCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 12524289 OXWJCYWFEMNOSV-PETKRDDUSA-N 355.354 4.024 30 50 FIEA COc1ccc2cc(-c3cc(-c4cccnc4)c(C#N)c(N)n3)ccc2c1 67896024 PWTPXCRIVJSMBF-UHFFFAOYSA-N 352.397 4.426 30 50 FIEA O=[N+]([O-])c1ccc(N=C(c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 254837658 KHZQIEIAALOFTP-UHFFFAOYSA-N 354.366 4.067 30 50 FIEA CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 1775956670 JKUNJWNPAAWQFC-LSDHHAIUSA-N 351.296 4.116 30 50 FIEA COc1ccc(C(=O)c2sc(Nc3ccccc3F)c(C#N)c2N)cc1 658875 WSUYSVGQEUVYKO-UHFFFAOYSA-N 367.405 4.324 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1C#N 994521 UUVBPUBIBLYNNT-HUUCEWRRSA-N 368.458 4.236 30 50 FIEA CN(CCN(C)/N=C/c1ccc(Cl)cc1)/N=C/c1ccc(Cl)cc1 2897080 RTUVARPFFVVACR-JFMUQQRKSA-N 363.292 4.225 30 50 FIEA COCc1c(C#N)c(Nc2cccc(C(F)(F)F)c2)nc(C)c1[N+](=O)[O-] 4754903 ZHKWSDAPTXAMCL-UHFFFAOYSA-N 366.299 4.079 30 50 FIEA Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]c1C(C)C 12372045 KCPHILMNMZVCAH-UHFFFAOYSA-N 374.535 4.384 30 50 FIEA CN(C)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1 19773129 JBBMINGKHNNKAT-XIEYBQDHSA-N 372.516 4.058 30 50 FIEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 1506420149 VZKRWHPKAQUILJ-LJQANCHMSA-N 351.446 4.160 30 50 FIEA CC[C@H]1CCCN1Cc1ccc(-c2ccc3c(=O)c(C#N)c[nH]c3c2)cc1 1875408360 UJXBMFOMVHIORA-FQEVSTJZSA-N 357.457 4.441 30 50 FIEA N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)[nH]2)c1 491899067 JUWLDJYTAHGTSG-ZIFCJYIRSA-N 362.477 4.171 30 50 FIEA CCOc1cc(C=O)cc(Br)c1OCc1ccccc1C#N 1172533 BDUBORBJCCHXRE-UHFFFAOYSA-N 360.207 4.111 30 50 FIEA N#Cc1cccc(CN2CCN(c3ccc4cc(Cl)ccc4n3)CC2)c1 65373424 QUDWOZPNPOWGBC-UHFFFAOYSA-N 362.864 4.082 30 50 FIEA COc1cccc2ccc(CN3CCC(C#N)(c4ccccc4)CC3)nc12 216065573 VBEKUJIIQWTLPA-UHFFFAOYSA-N 357.457 4.301 30 50 FIEA COc1ccc(C#N)cc1CSc1nnc(-c2ccco2)n1CC(C)C 152510688 QKJLHJUBUJWFHX-UHFFFAOYSA-N 368.462 4.367 30 50 FIEA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C#Cc2ccccc2)c1 11662281 WSRPRIQXRKWDGL-QFIPXVFZSA-N 369.468 4.034 30 50 FIEA Cc1c(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cnn1C 71745840 RBEIRHJLYBARFV-UHFFFAOYSA-N 358.232 4.218 30 50 FIEA COCC[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426420310 YONHDCCSUDPANX-HXUWFJFHSA-N 366.436 4.396 30 50 FIEA C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(F)ccc2Cl)c1 731673866 ITOJWDQVXINVCQ-UHFFFAOYSA-N 351.830 4.064 30 50 FIEA COC(=O)CSc1nc(-c2ccc(C)cc2)c2c(c1C#N)CCCC2 1384131 MYQWBRFJBJYRTD-UHFFFAOYSA-N 352.459 4.073 30 50 FIEA O=C(NC(=S)Nc1ccccc1C#Cc1ccccc1)c1ccccc1 2899436 FYXVHNVYWGUCRF-UHFFFAOYSA-N 356.450 4.213 30 50 FIEA CC(C)OC1=C(OC(C)C)[C@]2(O)[C@@](C)(CC[C@@]2(C)[Si](C)(C)C)C1=O 169834270 ZTBUBWAIEKAZJG-OTWHNJEPSA-N 354.563 4.260 30 50 FIEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 281848349 RSRAMXFYNXZJGH-OAGGEKHMSA-N 365.543 4.259 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2cccc(Cl)c2Cl)cc1 1234464 LKSCULOZUNZBRB-UHFFFAOYSA-N 359.234 4.017 30 50 FIEA COc1ccc(-c2csc(NC(=O)c3ccoc3C)c2C#N)cc1OC 16400303 AEVNVADUIBEVJQ-UHFFFAOYSA-N 368.414 4.458 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(O)cc1O 4597181 WZKFCLIAPDQRKJ-FQEVSTJZSA-N 350.418 4.320 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl 4624562 GVKGMJCOYFQOJF-QGZVFWFLSA-N 359.853 4.117 30 50 FIEA C=CCn1c(O)c2c(-c3ccc(OC)c(OC)c3)csc2nc1=S 238937184 TZLOIJDAVMPFJA-UHFFFAOYSA-N 360.460 4.403 30 50 FIEA COc1cccc(C(=O)/C=C/Nc2ccc(Br)cc2F)c1 1115427 UPGIAKJQUAGCSQ-BQYQJAHWSA-N 350.187 4.405 30 50 FIEA COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 4776722 XXQPBJAKXOSLTL-FPYGCLRLSA-N 363.207 4.068 30 50 FIEA Fc1ccccc1/N=C(\S)N1CCN(C/C=C/c2ccccc2)CC1 8683554 VKSZIFRIHCFQHI-RMKNXTFCSA-N 355.482 4.074 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3c(O)ccc4ccccc34)CC2)cc1 19833187 NUQJUDXIJOFSQB-LFVJCYFKSA-N 359.473 4.006 30 50 FIEA CCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104144451 QHCYZDNGOTVZNC-UHFFFAOYSA-N 351.403 4.374 30 50 FIEA Cc1nc([C@@H]2CCCN2C(O)=Nc2cnn(CCC(C)C)c2C(C)C)no1 330123241 AODCAPOJIUSLHD-INIZCTEOSA-N 374.489 4.127 30 50 FIEA O=C1C=C(c2ccccc2)C[C@@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 1210919 YVFUOIYANNQWPH-HNAYVOBHSA-N 365.414 4.234 30 50 FIEA aggregator CCCCOc1ccc(C(=O)O/N=C2\CCOc3cc(OC)ccc32)cc1 4351887 SYWABADENARHSL-ZBJSNUHESA-N 369.417 4.218 30 50 FIEA O=C1N/C(=N/c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Cl)cc1 13476751 GGHAKSUARLJHQT-CQSZACIVSA-N 351.258 4.455 30 50 FIEA N#Cc1cc(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)ccc1F 426370427 KCDANCUZBCLNPN-UHFFFAOYSA-N 366.436 4.132 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 753388 BSYQJCPYTIQZPF-INIZCTEOSA-N 366.244 4.134 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 257356691 JRCRFBRVIWOWLF-BLFWCKFPSA-N 374.521 4.297 30 50 FIEA COc1ccc([C@H](CC(=O)N2CC[C@@H](C)C3(CCC3)C2)/N=C(/C)O)cc1 329108049 IGHNWQNGINHOKA-BEFAXECRSA-N 358.482 4.142 30 50 FIEA COC(=O)c1sc(NC(=O)c2cccc(OCC(C)C)c2)c(C#N)c1C 1156292 WKZRDFJEPLDLHA-UHFFFAOYSA-N 372.446 4.002 30 50 FIEA O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 17779434 BKWNGEHPXNXBFU-FQEVSTJZSA-N 355.393 4.470 30 50 FIEA O=C1C[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819800 DBWRHXJXPLJKCI-SWLSCSKDSA-N 369.823 4.483 30 50 FIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1 2321043 YZPDNWMCHOUBFR-XSFVSMFZSA-N 351.479 4.336 30 50 FIEA COc1ccc([C@H]2CC(=O)C=C(Nc3ccc([N+](=O)[O-])cc3)C2)cc1OC 3894016 DAOGDTKBDOELAA-CQSZACIVSA-N 368.389 4.055 30 50 FIEA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]21 100340268 OYAYDMDBQZWWHI-VOBQZIQPSA-N 358.397 4.052 30 50 FIEA O=C1CSC(=S)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1153976 WFDUCQMIZYPTRU-UBKPWBPPSA-N 371.270 4.448 30 50 FIEA C=CCc1ccc(OCCOc2ccc(C=O)cc2OCC)c(OC)c1 2866698 OWKCZRRXWYJXPW-UHFFFAOYSA-N 356.418 4.093 30 50 FIEA COC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Br)cc1 3084663 WCDLRNWCOVTWOI-ZHACJKMWSA-N 360.207 4.044 30 50 FIEA CCC(=O)N=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(C)cc(C)n1 1068248 QRDKJCWKQDNMDE-UHFFFAOYSA-N 366.252 4.217 30 50 FIEA COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C#N 6640254 SGGAQWFGZSSIHE-UHFFFAOYSA-N 369.833 4.335 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19536302 HWFUXTLTPARKHS-SFHVURJKSA-N 359.853 4.260 30 50 FIEA C=CCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19706765 ZIIOAFDYCXGOSJ-UHFFFAOYSA-N 360.244 4.298 30 50 FIEA CCCCCCCc1c(C)nn(-c2nnc3c(n2)[nH]c2ccccc23)c1O 100365790 XYSZYAKWMKNXQI-UHFFFAOYSA-N 364.453 4.219 30 50 FIEA C=C(C)Cn1c(SCC(=O)C2CCCCC2)nnc1-c1ccncc1 123336417 SKKROWUMJQGSDP-UHFFFAOYSA-N 356.495 4.158 30 50 FIEA N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(F)c1 779050 QKEYDPRZBGHMDJ-UHFFFAOYSA-N 358.332 4.153 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccsc1 2580683 JGRLZEOGHJGDJL-PKOBYXMFSA-N 356.443 4.076 30 50 FIEA CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCOCC1 4115349 MQEHCLYMJAHIML-UHFFFAOYSA-N 362.477 4.237 30 50 FIEA COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 5069268 USQVKHNFEYKEHJ-FNORWQNLSA-N 362.179 4.262 30 50 FIEA C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1)c1ccccc1 55190316 QRJLQDRKHPOTRV-BLJGPLFWSA-N 369.468 4.454 30 50 FIEA C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 185479652 PWSZFGAPDUBNMV-IEBWSBKVSA-N 374.435 4.469 30 50 FIEA O=C1C[C@@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1 253409484 LXUKJVOSOADEGN-LSPINASFSA-N 369.376 4.139 30 50 FIEA biogenic COc1cccc([C@H](C/N=C(/O)C2=Cc3ccccc3[C@@H]2C)N(C)C)c1 328592598 MPZIFZMLIDFZCQ-BTYIYWSLSA-N 350.462 4.455 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H](COC)c2cc3ccccc3s2)N=N1 2325892767 BDDIYZZJLJZCFV-HNNXBMFYSA-N 355.463 4.061 30 50 FIEA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=C1C(=O)CC(C)(C)CC1=O 100522909 VNSRYENLACQIFB-GOSISDBHSA-N 350.462 4.285 30 50 FIEA C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 100549197 GTKXLBOZPDTRNC-NQIIRXRSSA-N 350.487 4.430 30 50 FIEA C=C(C)COc1c(CN[C@H](C)c2c(C)nn(CC)c2C)cccc1OC 55245556 BZWIUTMKONBEAY-OAHLLOKOSA-N 357.498 4.334 30 50 FIEA O=S(=O)(O)CCCN1/C(=C/C=Nc2ccccc2)Sc2ccccc21 254288696 BBNSCFVDGDDQRS-RSLCLNNDSA-N 374.487 4.121 30 50 FIEA CC1(C)Cc2ccccc2C(C(=NO)C2=NC(C)(C)Cc3ccccc32)=N1 728292 NURLKJCZMHOSCW-UHFFFAOYSA-N 359.473 4.465 30 50 FIEA CCCC(=O)C1=C(Nc2ccc(C)c(C)c2)CC(C)(C)[C@@H](C(=O)OC)C1=O 1234028 NKGPUPOXGUFOBK-LJQANCHMSA-N 371.477 4.127 30 50 FIEA CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(OC)c1 19923534 YUIAOTDSUUDFEL-DNVCBOLYSA-N 359.466 4.196 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCN(CCc3ccccc3)CC2)o1 223493491 XUBJTQPSWONUEN-UHFFFAOYSA-N 371.484 4.179 30 50 FIEA C=CCc1ccc(OC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 641453 VSWAEQHKXFIDED-UHFFFAOYSA-N 355.390 4.211 30 50 FIEA CCOc1cc(/C=N/O)cc(Br)c1OCc1cccc(F)c1 16688592 HAYCTPGCEYDLHU-DJKKODMXSA-N 368.202 4.374 30 50 FIEA C#CCCC1(CCC(=O)NCc2cccc(-c3csc(C)n3)c2)N=N1 1875382064 PMDTVDXQZAFVJL-UHFFFAOYSA-N 352.463 4.090 30 50 FIEA C=CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1C(=O)Nc2cc(C)cc(C)c21 96757408 IKNLYUNWGJGJQT-SFHVURJKSA-N 366.436 4.083 30 50 FIEA COc1c(F)cc(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)cc1F 426530805 MAPGZHBACOLYOR-CYBMUJFWSA-N 356.372 4.016 30 50 FIEA C(=N/N1CCN(c2ccccc2)CC1)\c1cccc(OCc2ccccc2)c1 2702888 SLWOLLQYERPLAT-NCELDCMTSA-N 371.484 4.422 30 50 FIEA C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 4834143 ROIDKLLOOBQUKR-DEDYPNTBSA-N 364.898 4.340 30 50 FIEA Cc1cc(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N 12680749 JFCYTEJGCKVSJH-UHFFFAOYSA-N 373.504 4.122 30 50 FIEA N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71721494 GXCLPUDDHWPZCP-OAHLLOKOSA-N 354.400 4.321 30 50 FIEA CN(C)c1cc(C(O)=Nc2cccc(-n3ccnc3)c2)nc2ccccc12 328590169 ZHBZEXWFXHWTOJ-UHFFFAOYSA-N 357.417 4.123 30 50 FIEA C#CCCC1(CCC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)N=N1 952880902 MQZMKPLVEQJBPL-AWEZNQCLSA-N 361.848 4.368 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1848443824 BDJNJWJAJKMWQI-OQHCUIANSA-N 374.521 4.297 30 50 FIEA CCCC(=O)C1=C(Nc2ccc(C)c(C)c2)CC(C)(C)[C@H](C(=O)OC)C1=O 1234029 NKGPUPOXGUFOBK-IBGZPJMESA-N 371.477 4.127 30 50 FIEA COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(OC)c(OC)c3)C2)cc1 7275789 MXGZWLMJXSOVAE-HNNXBMFYSA-N 353.418 4.155 30 50 FIEA CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1 9330991 HSVUZCYBPFVTKE-UHFFFAOYSA-N 364.449 4.155 30 50 FIEA CCCCCCCCCCCCCCC(=O)CCC(=O)OC[C@H](O)CO 101018321 NPPJJVLTCXALOV-HXUWFJFHSA-N 372.546 4.323 30 50 FIEA N#CC1(C#N)C2=CCCC(=O)C2=C(O)C[C@@H]1c1ccc(Br)cc1 108258044 FRBPXBZZBCDFNC-CQSZACIVSA-N 369.218 4.071 30 50 FIEA C=CCn1c(SCc2ccccc2N(C)C)nnc1-c1ccoc1C 123752348 FFGDRGZAUOJAKR-UHFFFAOYSA-N 354.479 4.391 30 50 FIEA N#CC1(c2ccncc2)CCC(=NOCc2ccc(C(F)(F)F)cn2)CC1 2325787957 DLLNTTJIZFDDDU-UHFFFAOYSA-N 374.366 4.404 30 50 FIEA C=CCN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 4385968 FVLDJDMKLJJCMG-UFUQCMIWSA-N 357.457 4.252 30 50 FIEA C=CCN1C(=O)COc2ccc(NC(=O)c3cccc4ccccc34)cc21 32593575 ZTEJGGQWBWOXHI-UHFFFAOYSA-N 358.397 4.004 30 50 FIEA CS(=O)(=O)C1(/C(O)=N/[C@H]2CC=C(c3ccc(F)cc3)CC2)CCCC1 329239933 MHNQKNYIEHGKED-KRWDZBQOSA-N 365.470 4.076 30 50 FIEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCC(c2cccc(F)c2F)CC1 2325806812 HYAPNDVIINNSHF-YCRPNKLZSA-N 365.464 4.414 30 50 FIEA Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2 2775591 KTONBBOIFGMBBR-UHFFFAOYSA-N 369.515 4.324 30 50 FIEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 13285555 SZZHDXSZWNTLQC-GOSISDBHSA-N 359.853 4.260 30 50 FIEA C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)SC1=S 100087487 ADLBHLCNIRHPTK-OWBHPGMISA-N 368.936 4.487 30 50 FIEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1ccc(N2CCCC2=O)cc1 1506421969 XGHQZHYDQMHMMO-SFTDATJTSA-N 364.489 4.495 30 50 FIEA N#Cc1cc(Br)ccc1NCC[C@H]1NCCc2ccccc21 2325867019 HZACLHYUZWUPPC-GOSISDBHSA-N 356.267 4.010 30 50 FIEA N#Cc1cccc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)n1 95386471 SDFHUEYSGBIVJD-HXUWFJFHSA-N 372.516 4.192 30 50 FIEA Cc1ccc(NC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c(C)c1 169955930 VEXNVWBODUDMBR-UHFFFAOYSA-N 366.270 4.247 30 50 FIEA C=C(C)COc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 9231833 OKQPTWBIXVCGFE-UHFFFAOYSA-N 352.434 4.488 30 50 FIEA Cn1c2c(c3ccccc31)[C@H](c1ccccc1)Cc1[nH]c(=O)c(C#N)cc1-2 22341748 JEOFSEFKOSPTOZ-KRWDZBQOSA-N 351.409 4.093 30 50 FIEA C=CCOc1ccccc1CN(CC)Cc1cc2ccc(F)cc2[nH]c1=O 67921727 BJFUZDCAQUYMGV-UHFFFAOYSA-N 366.436 4.254 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cccc(C)c1 252488839 JAFFBASWDNJIAJ-DENIHFKCSA-N 364.441 4.323 30 50 FIEA Cc1ccnc2nc(SCc3ccc(C#N)cc3Br)[nH]c12 253432219 XDHQSDGTGRUKKG-UHFFFAOYSA-N 359.252 4.193 30 50 FIEA CC1(C)CC[C@@H]2C[C@@H](/N=C(/O)C3(S(C)(=O)=O)CCC3)c3cccc1c32 330021868 YOTCJKAWXCVGGY-CZUORRHYSA-N 361.507 4.210 30 50 FIEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc12 732510 LZEIKPVKWHAHNK-HIAJTZQDSA-N 362.473 4.126 30 50 FIEA Cn1c([C@@H](C#N)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)nc2ccccc21 222012540 ZZXWQHPANFEOSE-CZNFOMIPSA-N 367.880 4.327 30 50 FIEA C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccccc2)s1 1250910 YODMQTDWTUOUDK-UHFFFAOYSA-N 366.446 4.490 30 50 FIEA N/C(=N\OC(=O)N1c2ccccc2Sc2ccccc21)c1ccncc1 4306571 VWQCWAIYJQLVFU-UHFFFAOYSA-N 362.414 4.141 30 50 FIEA C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 4531987 LFSRETZWVUHKLB-JLIHBVADSA-N 356.506 4.245 30 50 FIEA C=CCc1cc(CN2CCCN(Cc3cccs3)CC2)ccc1OC 1506419163 ZEZVDWHHBDURMF-UHFFFAOYSA-N 356.535 4.193 30 50 FIEA Cc1c(C(=O)N(C)C)sc(NC(=O)c2csc3ccccc23)c1C#N 2772620 FKPHMBWKTOLXMZ-UHFFFAOYSA-N 369.471 4.097 30 50 FIEA O=S1(=O)CC/C(=N\Nc2ccc(Cl)cc2Cl)c2ccsc21 5749462 BZIZGPRYGRGJBB-LFIBNONCSA-N 361.275 4.049 30 50 FIEA C=CCn1c(CN(C)CC2CCCCC2)nnc1SCC(=C)Cl 14963345 OWFOXTYUIIJYKN-UHFFFAOYSA-N 354.951 4.321 30 50 FIEA Cc1ccc(-c2nnc(S)n2N=Cc2ccccc2C(F)(F)F)cc1 252394266 CWAFVBUBJVELKE-UHFFFAOYSA-N 362.380 4.443 30 50 FIEA N#Cc1cccc(C2(NCCCc3nc(-c4ccccc4)no3)CCC2)c1 2325755680 YJCAWAYCRUCWGH-UHFFFAOYSA-N 358.445 4.210 30 50 FIEA Cc1ccc(NC(=O)C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c(C)c1 1613691 XTBAOOGGELANLD-LBPRGKRZSA-N 361.228 4.425 30 50 FIEA N#Cc1ccc(C2(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 187453415 GSJQBBUBIPVVBL-UHFFFAOYSA-N 369.468 4.477 30 50 FIEA CC1(C)C[C@H](/N=C(/O)N2CCCC[C@@H]2c2cc[nH]n2)c2ccccc2O1 329304147 XSQYKXOCIPWBFD-DLBZAZTESA-N 354.454 4.153 30 50 FIEA C=CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(OCC=C)c1 2080954 VYEOLPVPYJQFRN-RGEXLXHISA-N 361.397 4.161 30 50 FIEA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1 6819682 XWCQGZOPMHBJJZ-IEBWSBKVSA-N 361.441 4.008 30 50 FIEA N#Cc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 1158528 QCELPGGYCCCZSL-UHFFFAOYSA-N 350.399 4.151 30 50 FIEA Cc1c(Cc2ccccc2)c(NCCCO)n2c(nc3ccccc32)c1C#N 4034001 HOXGTTHVPODHMK-UHFFFAOYSA-N 370.456 4.053 30 50 FIEA C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 13881413 CRGDNCYWSKFTLF-YBEGLDIGSA-N 370.386 4.386 30 50 FIEA COc1ccc([C@@H](C)NC(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 584892730 XMYJXTZICCTUPS-QGZVFWFLSA-N 363.461 4.023 30 50 FIEA C=CCn1c(SCc2nc3ccccc3[nH]2)nc2sc(C)cc2c1=O 784846 CSMPAVRQVFREBR-UHFFFAOYSA-N 368.487 4.121 30 50 FIEA O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)Nc1ccc3ncccc3c12 870010 LYTYFIQJQSOBMZ-JOCHJYFZSA-N 358.397 4.319 30 50 FIEA N#Cc1cc2c(nc1SC[C@]1(O)CCCc3ccccc31)CCCC2 1119130 GSLUDJFXRADELM-OAQYLSRUSA-N 350.487 4.148 30 50 FIEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1ccc(-c2nc3c(c(=O)[nH]2)CCC3)cc1 23541388 KDMLJHUTLWWZQS-VQIMIIECSA-N 361.489 4.021 30 50 FIEA Cc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)nc1 67852468 XILCPYNAYZLGRL-UHFFFAOYSA-N 373.456 4.005 30 50 FIEA CN(C[C@@H]1CC12CCN(Cc1ccc(C(C)(C)C#N)cc1)CC2)C1CC1 2325742087 HIKAXHRVKLWLQC-FQEVSTJZSA-N 351.538 4.184 30 50 FIEA N#CC1CCC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 2325868011 LTCHZVXMYVHRBN-UHFFFAOYSA-N 351.416 4.157 30 50 FIEA O=C1[C@@H]2C3=C(CCCC3)S[C@@H]2N=C(SC[C@@H]2CO2)N1c1ccccc1 25666925 GAQNJNHVLDQEGY-XKQJLSEDSA-N 372.515 4.038 30 50 FIEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O 217910305 CBIXLPYQLJTDRU-GFCCVEGCSA-N 370.788 4.356 30 50 FIEA biogenic O=C1C(Nc2ccc(F)c(F)c2)=C(N2CCCCC2)C(=O)c2ccccc21 4725367 VKSAHHMZOVAIDT-UHFFFAOYSA-N 368.383 4.153 30 50 FIEA O=C1C[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 4914660 QKJZEMOSDKQWEN-YOEHRIQHSA-N 369.823 4.483 30 50 FIEA CCCCCCCCCCNC(=O)c1c(O)n(C)c2ccccc2c1=O 136436108 SWHGCQRKVRRWAN-UHFFFAOYSA-N 358.482 4.115 30 50 FIEA Cc1cc(NC(=O)CC2=C(c3ccccc3)CCC2=O)n([C@H](C)C2CC2)n1 1506411662 JJMAGWZFDNJWMZ-OAHLLOKOSA-N 363.461 4.308 30 50 FIEA CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c(O)c1 1473753 ATSJUPWBIADYLG-DEDYPNTBSA-N 367.478 4.042 30 50 FIEA CSC(=CC(=O)c1cccc(I)c1)SC 4105434 OXNVEOVZBXYAQU-UHFFFAOYSA-N 350.246 4.041 30 50 FIEA O=C1C(Nc2cccc(F)c2)=C(N2CCCCC2)C(=O)c2ccccc21 4819538 PHEFKCZERNZYEV-UHFFFAOYSA-N 350.393 4.014 30 50 FIEA Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 13127108 IBQAPOXXZMNSGA-NRFANRHFSA-N 356.429 4.276 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)cc1 170615258 XPXUHHMUVNCJKW-IFMALSPDSA-N 364.441 4.323 30 50 FIEA CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 1189808 DGLTTXSNTYDNTE-HXUWFJFHSA-N 369.461 4.005 30 50 FIEA C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2c(C)n[nH]c2C)cn1 67756851 HKJARVXFDNQFFV-UHFFFAOYSA-N 372.476 4.182 30 50 FIEA O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)O[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 226488540 JXTBELKWIIAVQB-LZCNBPATSA-N 362.266 4.141 30 50 FIEA C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253595640 GVBHYHFYTCVSPY-DVJZPTKSSA-N 358.522 4.325 30 50 FIEA CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257356300 HHOPZZNLTLSBAF-JKLMVDCRSA-N 358.478 4.019 30 50 FIEA N#C[C@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@@]12CCCCO2 328594599 XNPDKRVBZARFDB-PBHICJAKSA-N 353.249 4.061 30 50 FIEA CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1875390126 LUHYBBAVLIOPFP-SJORKVTESA-N 373.302 4.483 30 50 FIEA CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 4168895 KXSJJYPCAKAUSV-OAHLLOKOSA-N 374.897 4.312 30 50 FIEA Cc1ccsc1CN(Cc1ccccn1)Cc1cc(C#CCO)cs1 55253821 MJSMJYJNRCKXEZ-UHFFFAOYSA-N 368.527 4.059 30 50 FIEA Sc1nnc(-c2ccncc2)n1/N=C/c1cccc(Oc2ccccc2)c1 1296550 MWNPZMGYCBYKPY-HYARGMPZSA-N 373.441 4.303 30 50 FIEA Cc1ccc(S(=O)(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 34650046 DLDWUFCUUXXYTB-OAQYLSRUSA-N 366.438 4.325 30 50 FIEA in-vitro Cc1nn(C)cc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc(N)c1C#N 71763961 QTXRWDLEVGLZJX-UHFFFAOYSA-N 358.232 4.218 30 50 FIEA O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@H]12 254752593 YIEKQZZNLCOSAB-CVRTUJKGSA-N 353.340 4.066 30 50 FIEA O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@@H]12 254752600 YIEKQZZNLCOSAB-VBSDVHFUSA-N 353.340 4.066 30 50 FIEA C#C[C@H](/N=C(/O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(C)C 328589311 BIEZYZJOOMZBFF-AWEZNQCLSA-N 358.463 4.098 30 50 FIEA C[C@](/N=C(/O)c1cccc([N+](=O)[O-])c1F)(C(=N)O)c1cccc(Cl)c1 328592904 MXHNIHLIBSXBNY-MRXNPFEDSA-N 365.748 4.143 30 50 FIEA C[C@@H](/C(O)=N/[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccccc1C1CC1 329803299 LDIWMIYTBVAPTP-VCBZYWHSSA-N 363.523 4.403 30 50 FIEA CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccc(Cl)cc1Cl)C2(C#N)C#N 5727672 BAKIWBKSLCFYRG-OAHLLOKOSA-N 361.228 4.069 30 50 FIEA C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97957384 HYSSZDTUULNWLC-REOHCLBHSA-N 364.101 4.106 30 50 FIEA CC(C)n1cc([C@H]2OCC[C@@H]2C(O)=Nc2cc(C(F)(F)F)ccn2)cn1 328629460 IGFYARFUAJDCAQ-DZGCQCFKSA-N 368.359 4.244 30 50 FIEA N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)[nH]2)c1 491899065 JUWLDJYTAHGTSG-ZHALLVOQSA-N 362.477 4.171 30 50 FIEA N#Cc1nc(-c2cccc3ccccc23)oc1S(=O)(=O)Cc1ccccc1 252493078 MYTHJTZGAZMLKP-UHFFFAOYSA-N 374.421 4.340 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C[C@]4(C)C(C(C)=O)=CC[C@H]4[C@H]3CC[C@@H]2C1 257356570 JAZBMNIJZWDVQJ-RMKXQTNPSA-N 372.505 4.265 30 50 FIEA N#C[C@@H]1N(C(=O)c2cccc(Cl)c2Cl)CCC[C@@]12CCCCO2 328594602 XNPDKRVBZARFDB-YOEHRIQHSA-N 353.249 4.061 30 50 FIEA CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)cc1 2351125 WTRXHZVUNGAFEX-UDWIEESQSA-N 352.463 4.493 30 50 FIEA C=CCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC 14397391 YFPGTKUMDQWKJX-UHFFFAOYSA-N 370.880 4.040 30 50 FIEA C[C@@H](C(=O)O)n1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c2ccccc21 72143492 JDORJADVLJLXRI-LBPRGKRZSA-N 372.384 4.063 30 50 FIEA N#Cc1cc(Cl)c(NC2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 170596358 PQXOSMUYNWSNIG-UHFFFAOYSA-N 364.232 4.175 30 50 FIEA N#Cc1cccc(-c2nccn2[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1857736779 VMQFOIBLWYMERC-MRXNPFEDSA-N 362.820 4.053 30 50 FIEA N#Cc1ccccc1N1CCC(CN[C@H]2CCCNc3ccccc32)CC1 2325734268 QFCWLLCNBFWQMZ-QFIPXVFZSA-N 360.505 4.311 30 50 FIEA C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 12343652 KGWNOUXOIWQEBZ-UXBLZVDNSA-N 374.643 4.030 30 50 FIEA N#Cc1ccnc(N2CCC3(CC2)C[C@H](c2ccccc2)CN(C2CC2)C3)c1 95352460 AEXOKDPRXOZFSV-NRFANRHFSA-N 372.516 4.192 30 50 FIEA CCCCC(NCCc1c(C)[nH]c2ccccc12)=C1C(=O)CCCC1=O 100146922 RFKRYJIMWYZNFL-UHFFFAOYSA-N 352.478 4.375 30 50 FIEA CCc1ccc(NC(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 2532607 SDBSGSXMDCOFFJ-UHFFFAOYSA-O 370.476 4.178 30 50 FIEA COC(=O)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 4844148 IMTMCCPADKVNFT-RGVLZGJSSA-N 351.431 4.351 30 50 FIEA CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1ccc2c(c1)OCO2 20036635 JLWMXZXYDMMDTJ-LJQANCHMSA-N 363.417 4.032 30 50 FIEA N#Cc1ccccc1-c1ccc(CN2CCCC[C@@H]2CCn2ccnc2)o1 77423010 LZGKUYFDGLFOQE-LJQANCHMSA-N 360.461 4.460 30 50 FIEA CC1CCC(C#N)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)CC1 101172490 FSDDPUJHTMIVOQ-UHFFFAOYSA-N 373.456 4.318 30 50 FIEA C=C(C)Cn1c(Sc2cccc(F)c2C#N)nnc1-c1ccncc1 152036917 YXXVMXHPKAEJRE-UHFFFAOYSA-N 351.410 4.078 30 50 FIEA OC(=Nc1ccc2c(c1)OCCO2)N1CCCC[C@H]1Cc1ccccc1 328749130 QSESUKBODHHJGA-SFHVURJKSA-N 352.434 4.101 30 50 FIEA OC1=NCCN(Cc2cccc(N=C(O)[C@H]3C[C@@H]3C3CCCCC3)c2)C1 329598150 CZGNQQRWYSOOMY-MOPGFXCFSA-N 355.482 4.263 30 50 FIEA C=CCC1(c2nc(-c3cccc(C)c3)nn2-c2ccccn2)CCOCC1 1875324944 PFKOUIJVAUBAPG-UHFFFAOYSA-N 360.461 4.262 30 50 FIEA C=C[C@]1(C)C[C@@H](OCOC)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@@H]23)[C@@H](C)C1=O 71786317 IGJSXBCAIJHWNQ-JEFQBKAKSA-N 362.510 4.178 30 50 FIEA CC1(C)OB(c2cc(OC(F)(F)F)c(Cl)cc2Cl)OC1(C)C 390825197 VCLVTIQCLFFUDH-UHFFFAOYSA-N 356.964 4.191 30 50 FIEA C=CCNC(=S)Nc1ccc(OCc2nc3ccccc3s2)cc1 4661557 IAMDKEVNVYFBAQ-UHFFFAOYSA-N 355.488 4.348 30 50 FIEA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 257356694 JRCRFBRVIWOWLF-VPDSETMFSA-N 374.521 4.297 30 50 FIEA O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2c(Cl)cccc21 299738213 JZGYCYJKBMHRDY-QPEQYQDCSA-N 351.583 4.424 30 50 FIEA CCc1nc(N/N=C/c2ccccc2O)c2c3c(sc2n1)CCCC3 4018736 PNPDTQYPRMKQGC-RGVLZGJSSA-N 352.463 4.284 30 50 FIEA N#Cc1c(-c2cccc(OC(F)F)c2)cc(-c2ccc(O)cc2)nc1N 67490948 RUPHPBWBKXKQLI-UHFFFAOYSA-N 353.328 4.176 30 50 FIEA C=CCN1C(=O)/C(=C\C(=O)c2ccc(Br)s2)c2ccccc21 1115614 BAXNWONAFUTGCE-BENRWUELSA-N 374.259 4.310 30 50 FIEA Cn1c(O)nc2ccc(/C(O)=N/[C@@H]3CC[C@H](c4ccc(F)cc4)C3)cc21 329944321 WRXFOSGHPGKFAY-XJKSGUPXSA-N 353.397 4.059 30 50 FIEA Oc1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 4989971 SZQDUFMUZVABLR-HZHRSRAPSA-N 367.412 4.357 30 50 FIEA COc1ccccc1/C=C/CN1CCc2[nH]nc(-c3cccc(C#N)c3)c2C1 20539410 GWUKKSUNYUYSFX-WEVVVXLNSA-N 370.456 4.028 30 50 FIEA CSc1nn(-c2ccccc2)c(NC(=O)/C=C/c2ccccc2)c1C#N 125855545 IBLFDVUZGHOEAY-OUKQBFOZSA-N 360.442 4.118 30 50 FIEA CC(C)(C)OC(=O)Oc1cc(Br)cnc1C#C[Si](C)(C)C 169794075 KVRNXNSZICMLQI-UHFFFAOYSA-N 370.319 4.387 30 50 FIEA in-vitro CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 709931 GZNGAPVLRSUKMU-OAQYLSRUSA-N 369.461 4.432 30 50 FIEA O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(C(=O)O)cc1 4953790 RQIMURSJHHHLHO-GDNBJRDFSA-N 355.440 4.289 30 50 FIEA O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1c1ccccc1 100327181 FUZYHKJJQNUUEW-QOCHGBHMSA-N 358.357 4.089 30 50 FIEA CCc1ccc(N=C(O)C(=O)N[C@@](C)(CC)c2nccs2)cc1CC 328596587 GAIBGFFZPUIOJU-IBGZPJMESA-N 359.495 4.298 30 50 FIEA COc1ccc(OCCCN2CCC(C#N)(c3ccccc3)CC2)cc1 1506407221 PQEYSBISKZQSBN-UHFFFAOYSA-N 350.462 4.021 30 50 FIEA CCOc1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)ccc1O 8659720 XDWDEOXHDXJCGN-LSHDLFTRSA-N 368.462 4.120 30 50 FIEA CC(=O)OC/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]12C 257358596 VGCBLRRJSISBJV-MWHZJOCISA-N 370.489 4.187 30 50 FIEA CCc1nc([C@H](C)Sc2[nH]c(=N)cc(N)c2C#N)oc1-c1ccccc1 1875261865 KHTIDUKHMLXUAY-NSHDSACASA-N 365.462 4.019 30 50 FIEA C=C(C)CN(CC)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 12430656 WQUKNRAMTGMCNO-IBGZPJMESA-N 351.446 4.362 30 50 FIEA COc1ccc(C)cc1N/C(S)=N\[C@H](C)c1ccc(OC)c(OC)c1 13519226 FBWZSXFTIGVJNG-CYBMUJFWSA-N 360.479 4.480 30 50 FIEA O=C1C[C@@H](c2ccccc2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 218017107 HREMCHNSQMOONC-BEWREHSGSA-N 369.376 4.139 30 50 FIEA biogenic CC(C)(C)c1ccc(OCC[N+]2C(=O)C(=NO)c3cc(Cl)ccc32)cc1 343516967 RQGYIUNZTGWNGW-UHFFFAOYSA-N 372.852 4.207 30 50 FIEA N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCC2 993992 LRRDOLPWRKXTDL-UHFFFAOYSA-N 364.426 4.247 30 50 FIEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3)CC2)c1 2234699 OQCMDMCOHAJBAT-UHFFFAOYSA-N 363.505 4.487 30 50 FIEA C=CCn1c(SCc2csc(C)n2)nc2sc(C)c(C)c2c1=O 2861515 XTMJNJQVZBVTEG-UHFFFAOYSA-N 363.533 4.318 30 50 FIEA O=c1oc2ccccc2cc1-c1csc(N/N=C/c2ccccc2O)n1 4714548 QOAGGLBIYQGLIO-KEBDBYFISA-N 363.398 4.068 30 50 FIEA Cc1csc(C2(/N=C(/O)[C@@H]3CN(c4ccccn4)C[C@H]3C)CCCC2)n1 328931118 BBOMXURQENPKAD-GDBMZVCRSA-N 370.522 4.345 30 50 FIEA N#Cc1cccc(COc2cccc(NC(=O)/C=C/c3cncs3)c2)c1 2325748871 DDZWRRLPSYRRMV-BQYQJAHWSA-N 361.426 4.246 30 50 FIEA CC[C@H](C)N(CC#Cc1ccccc1)Cc1cc(OC)c(O)c(OC)c1 63847919 CLXCZZQDYRYWQE-KRWDZBQOSA-N 353.462 4.062 30 50 FIEA C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 100549195 GTKXLBOZPDTRNC-RXVVDRJESA-N 350.487 4.430 30 50 FIEA C[C@H](CCc1ccc(O)cc1)/N=C(/O)N1CC[C@H](C(F)(F)F)C1(C)C 330944194 DTHQBRVGZSFGBQ-DOMZBBRYSA-N 358.404 4.290 30 50 FIEA COc1c(F)cc(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)cc1F 426530806 MAPGZHBACOLYOR-ZDUSSCGKSA-N 356.372 4.016 30 50 FIEA BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccc2)CC1 2240643 JASQRDIPLVCSQS-TXWVUNSISA-N 370.294 4.230 30 50 FIEA Cc1ccc(-c2cccc(-c3ccn(Cc4ccc(C#N)cc4)n3)c2)nn1 20560624 GLSYTNVSVVLSMK-UHFFFAOYSA-N 351.413 4.236 30 50 FIEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 20604655 QICUKBPRBGXKDG-UHFFFAOYSA-N 363.364 4.384 30 50 FIEA Cc1ccc2c(CN3CCN(c4cccc(C#N)n4)CC3)c(C)ccc2c1 2325867074 JVBOFERSACHVBS-UHFFFAOYSA-N 356.473 4.046 30 50 FIEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC 4115339 LXTXZCNPXHRIKB-UHFFFAOYSA-N 363.509 4.374 30 50 FIEA Cc1c(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cnc(O)c1C#N 72428389 AHMPJLOUAUQJCT-UHFFFAOYSA-N 373.412 4.032 30 50 FIEA O=C1/C(=C/c2cccc3c2OCO3)CCC/C1=C\c1cccc2c1OCO2 4547292 PREXVGGMENLKNY-WFYKWJGLSA-N 362.381 4.364 30 50 FIEA Fc1ccc(-c2n[nH]cc2/C=N\Nc2ncc(Cl)cc2Cl)cc1 4625746 VWLDSTQHQVWIGI-YXSASFKJSA-N 350.184 4.364 30 50 FIEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cnc(-c3ccccc3OC)s2)C1 92001929 LRASBVRLZFRFHD-HXUWFJFHSA-N 372.490 4.062 30 50 FIEA C=CCN1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 4385966 ZTOXSSQNMSYMIJ-LJQANCHMSA-N 359.473 4.171 30 50 FIEA O=[N+]([O-])c1ccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3)cs2)cc1 5009835 MXWPVXANYUTMLS-GIJQJNRQSA-N 358.810 4.240 30 50 FIEA O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819497 PBBIXQVGJHKPFN-XJKSGUPXSA-N 369.823 4.483 30 50 FIEA Cc1ccc(-n2nnc(C(=O)/C=C/c3ccnc(Cl)c3Cl)c2C)cc1 253426524 WKGXVGSJTZDABS-VMPITWQZSA-N 373.243 4.482 30 50 FIEA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@]12C 257349139 LSGSISOIJKSALZ-ZIFXZKNPSA-N 372.505 4.123 30 50 FIEA O/C(=N/[C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@H]1CC1CCCCC1 329453789 MDKJCTOQJBUOAI-SLFFLAALSA-N 357.498 4.260 30 50 FIEA O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccccc1 9110871 RYKCERRKFJPUAT-NRFANRHFSA-N 369.420 4.465 30 50 FIEA COc1ccc(Cl)c(-c2cc(-c3ccccn3)nc(N)c2C#N)c1F 67982653 HCEANLZQTXYOMR-UHFFFAOYSA-N 354.772 4.066 30 50 FIEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 281848357 RSRAMXFYNXZJGH-PMPSAXMXSA-N 365.543 4.259 30 50 FIEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(CC)cc1 4678806 KBDJGCGBFLEEKW-HXUWFJFHSA-N 373.452 4.381 30 50 FIEA CCCCOC(=O)c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl 245227395 GIAVHQMVBSARBR-UHFFFAOYSA-N 372.812 4.031 30 50 FIEA C#CCCCC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 757835477 FHGGONNULNZMGM-MRXNPFEDSA-N 351.233 4.278 30 50 FIEA COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-] 5013129 VUOMECQGFIXACS-UHFFFAOYSA-N 371.418 4.058 30 50 FIEA O=C1C[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 6819472 IFAPKWWCPZTYGB-YOEHRIQHSA-N 369.823 4.483 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 254835681 NHUDOBXYMZWEFY-UCKAWJCSSA-N 372.505 4.265 30 50 FIEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N(C)CCC2(O)CCCC2)c1 299788236 SXEYCUYLQKDPEC-UHFFFAOYSA-N 362.473 4.301 30 50 FIEA O/C(=N/Cc1ccc(N2CCCCC2)nc1)N[C@@H]1CCCc2sccc21 329806946 OIRWVOSHNGITGB-QGZVFWFLSA-N 370.522 4.215 30 50 FIEA C=CCSC1=N/C(=C\c2cccc(OC(C)=O)c2Cl)C(=O)S1 2833956 PNROYIGQQHBBMS-FLIBITNWSA-N 353.852 4.155 30 50 FIEA CSc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19773069 YXGRRKZZDIPOLM-KGENOOAVSA-N 359.926 4.214 30 50 FIEA Cc1nc([C@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)s2)cs1 71638954 IHSJNQNRWKOHOJ-LBPRGKRZSA-N 357.504 4.108 30 50 FIEA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@@H]12 135606524 OYAYDMDBQZWWHI-XMCHAPAWSA-N 358.397 4.052 30 50 FIEA CC(C)(C)[C@H]1CN(C(=O)c2cc(F)cc(C#N)c2)C[C@@H](c2ccccc2)O1 1529191029 SCBVTNWXLRPISS-VQTJNVASSA-N 366.436 4.326 30 50 FIEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1 426401887 OXVHKGRRVRNWFS-FQEVSTJZSA-N 373.500 4.325 30 50 FIEA CCCCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O 2288816 KKUUHEBHNFRXDL-UHFFFAOYSA-N 358.482 4.033 30 50 FIEA C=CCN1C(=O)/C(=C\C=C2/C=CN(CC)c3ccccc32)SC1=S 12411937 FOKYLXZRIVSNNF-QWGLIZDWSA-N 354.500 4.354 30 50 FIEA CC(C)[C@H]1CC[C@@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)C1=O 32603851 PBMVZXBUWLFUMN-SSPMVUGISA-N 357.450 4.145 30 50 FIEA CCN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-c2cccc(C#N)n2)cc1 426379625 DSOWEVZFMJIEMJ-UHFFFAOYSA-N 373.460 4.060 30 50 FIEA C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2C(C)C 65532987 SHJWDATYCFBMPW-INIZCTEOSA-N 369.465 4.210 30 50 FIEA CC(C)Cc1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)N2CCCC2)o1 227155813 VHMJHTYIGNEZPE-GOSISDBHSA-N 374.435 4.272 30 50 FIEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)N=N1 1875368699 LJQIWGTXTSFIEA-CVEARBPZSA-N 363.465 4.061 30 50 FIEA C=CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C 2107345 DNZVUKFQTITQCP-UHFFFAOYSA-N 358.463 4.344 30 50 FIEA Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)O)cc1 4758608 AYWOBRMNACLWLN-UHFFFAOYSA-N 371.392 4.255 30 50 FIEA Cc1cc(C)cc(OCc2ccc(/C=C/C(=O)c3cn(C)nc3C)o2)c1 6527776 PNTPRLSJEJWVHZ-BQYQJAHWSA-N 350.418 4.413 30 50 FIEA C#CCn1/c(=N/C(=O)Nc2cccc(Cl)c2)sc2cc(C)ccc21 100133511 SICRIMJXBAJJAQ-UZYVYHOESA-N 355.850 4.431 30 50 FIEA CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)CCCC1=O 100148064 GLTKEBJUMHURNV-UHFFFAOYSA-N 352.478 4.375 30 50 FIEA CCCCCCCCCCCCCCC(=O)CCC(=O)OC[C@@H](O)CO 101018323 NPPJJVLTCXALOV-FQEVSTJZSA-N 372.546 4.323 30 50 FIEA Cc1c([C@@H](C)/N=C(/O)N2CCOC[C@@H](C3CCC3)C2)oc2ccccc12 330231255 WUKSFBGKZCSSMH-WBVHZDCISA-N 356.466 4.465 30 50 FIEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 2055142 GGWCMBDACIBDRN-GOSISDBHSA-N 359.853 4.261 30 50 FIEA CCOC(=O)C(CC)(CC)C(=O)/C=C/c1ccc(Br)cc1 2291856 COBBHAGEVJOWSY-FMIVXFBMSA-N 353.256 4.401 30 50 FIEA O=C1SC(SCc2ccccc2)=N/C1=C\c1ccccc1[N+](=O)[O-] 4953487 MLTHOJJQNYPYEG-UVTDQMKNSA-N 356.428 4.499 30 50 FIEA CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 263609115 URXWVWVPMJSAJD-JBAFQVTRSA-N 370.489 4.185 30 50 FIEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)CCC1CCCC1 7759964 SCQGPPISUBJBTD-UHFFFAOYSA-N 369.465 4.230 30 50 FIEA Cc1csc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)n1 25695158 BBNICTQESPIILC-UHFFFAOYSA-N 370.518 4.425 30 50 FIEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(n3cc(CCCC)nn3)CC1)C2 74321809 CZJCUJAKOYJBCF-VGOFRKELSA-N 370.541 4.167 30 50 FIEA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3ccc(C#N)cc3)C2=O)cc1 2100477545 ARSLADSRMHXXFB-QHCPKHFHSA-N 359.473 4.028 30 50 FIEA CCCCCCCCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 2267808 XEZWPKAEJOTKHC-UHFFFAOYSA-N 358.482 4.115 30 50 FIEA C=CCCC(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 14988950 DWEWGBXNBXFLKN-UHFFFAOYSA-N 356.510 4.009 30 50 FIEA Cc1ccccc1NC(=O)OCC#CCOC(=O)Nc1ccccc1C 1760889 PTEQWDSXBJPPNT-UHFFFAOYSA-N 352.390 4.104 30 50 FIEA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C#Cc1ccccc1 6735087 ZXDMTGIXHDAGRL-UHFFFAOYSA-N 361.422 4.192 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 19313812 MEDLNZLUJOFGRS-GCJKJVERSA-N 373.452 4.221 30 50 FIEA C=N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 102320332 WGCHXJADQZBUFT-LXAYZEPESA-N 366.420 4.305 30 50 FIEA C[C@H]1CCC[C@@](C#N)(NC(=O)c2csc(Cc3ccccc3F)n2)C1 170630442 MMPBLXIKMXOCMF-ORAYPTAESA-N 357.454 4.075 30 50 FIEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 707647 MJUXUXSRSWURDI-OAQYLSRUSA-N 363.457 4.337 30 50 FIEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2Cl)cc1 1234465 JLILJPFSTIOLGJ-UHFFFAOYSA-N 359.234 4.017 30 50 FIEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccc(C)cc1 2223786 LOFDWLBWXYICSC-AMYLNKINSA-N 350.447 4.098 30 50 FIEA C#CCCC1(CCC(=O)Nc2ccc(Nc3nc(C)cs3)cc2)N=N1 2325894627 DNNVHPRDYWXENV-UHFFFAOYSA-N 353.451 4.489 30 50 FIEA O=C1C(Nc2ccc(F)cc2)=C(N2CCCCC2)C(=O)c2ccccc21 4093794 YQKVOYONBOZIHB-UHFFFAOYSA-N 350.393 4.014 30 50 FIEA C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(I)cc1 5041632 FXZFIKBISUGYFY-MDZDMXLPSA-N 367.186 4.391 30 50 FIEA C#CCN(Cc1ccc(OC)cc1)Cc1cnc(-c2cccc(C)c2)nc1 55568649 RJUWFLGSMNTGRS-UHFFFAOYSA-N 357.457 4.096 30 50 FIEA CCn1c(C(=O)Nc2nc3cc(C#N)ccc3n2CC)cc2ccccc21 490742807 CGMPCOKVGNUNMI-UHFFFAOYSA-N 357.417 4.155 30 50 FIEA CNc1nc(-c2ccncc2)nc(-c2cccc(C(F)(F)F)c2)c1C#N 4090014 INGBQAFMTBLRJZ-UHFFFAOYSA-N 355.323 4.138 30 50 FIEA Cn1nccc1[C@@H]1CCCN(CC/C(O)=N/[C@H]2CCCc3ccccc32)C1 328754271 SLFCDCPZPCBAIC-QUCCMNQESA-N 366.509 4.024 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 1254746 OWFPZQOLKIWLTM-UHFFFAOYSA-N 370.865 4.155 30 50 FIEA N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 2766689 BPPKYAWKHFCYBX-NWDGAFQWSA-N 371.160 4.178 30 50 FIEA CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(C)C 4115360 YODJLKXLVHSYRU-UHFFFAOYSA-N 363.509 4.374 30 50 FIEA COc1ccc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)cs2)cc1OC 4468755 RNWAZTYDQKKFBZ-RGVLZGJSSA-N 353.447 4.004 30 50 FIEA Cn1c(N/C(=C\C(=O)c2cccs2)C(F)(F)F)nc2ccccc21 100823233 VSNXLJFGRKZERO-ZROIWOOFSA-N 351.353 4.376 30 50 FIEA C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nnc1-c1ccccc1 125133634 WWRDWMPZBSMRLB-QGZVFWFLSA-N 365.458 4.138 30 50 FIEA Cc1cccc2c1OCC[C@H]2/N=C(/O)c1sc([C@H]2CCCOC2)nc1C 328973732 ASGALTHCUGQWPY-GOEBONIOSA-N 372.490 4.482 30 50 FIEA Cc1c(C#N)c(-c2ccc([C@H](C)N3CCOCC3)cc2)nc2ccccc12 2100482662 PLJQDVCAQHJIQV-KRWDZBQOSA-N 357.457 4.475 30 50 FIEA N#Cc1cc(F)cc(CN2CCc3ccc(Br)cc3CC2)c1 2325868054 NMPFUNNVWINTTJ-UHFFFAOYSA-N 359.242 4.061 30 50 FIEA COc1cc(-c2[nH]c(=S)c(C#N)c3c2CCCC3)cc(OC)c1OC 5981780 WQNSIXHQRYXOHX-UHFFFAOYSA-N 356.447 4.187 30 50 FIEA COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2F)c1OC(F)F 253425280 RUHHTVSAMRFNAD-VMPITWQZSA-N 367.279 4.240 30 50 FIEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccccc1C 2276391 HEFGARCQFUKVBN-ADCWSOHQSA-N 350.447 4.098 30 50 FIEA CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)[C@H](c2ccccc2)C1 1875390125 LUHYBBAVLIOPFP-IRXDYDNUSA-N 373.302 4.483 30 50 FIEA COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Br)c(C)c2)c1O 3091509 FGRWTZYAANPMCN-CAOOACKPSA-N 365.183 4.131 30 50 FIEA C[C@@H](/C(=N/NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 4800645 LENWKBBBHUITLU-KTVWJZFRSA-N 364.470 4.173 30 50 FIEA O=[N+]([O-])c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 6057892 TYBBQCKGRJOPFE-RQZCQDPDSA-N 359.798 4.051 30 50 FIEA C/C(=C\C(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 101082747 OVQZQYQEMFSWAC-XYOKQWHBSA-N 374.234 4.054 30 50 FIEA Cc1ccc(CN2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)cc1 19833192 WNUUOILIPQVPOU-LPYMAVHISA-N 362.304 4.454 30 50 FIEA O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@@H]12 254752598 YIEKQZZNLCOSAB-QJTLGEBBSA-N 353.340 4.066 30 50 FIEA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)s2)c1C#N 1021607 RVOFQDZBRDGFRY-UHFFFAOYSA-N 368.867 4.461 30 50 FIEA CS/C(=N\c1ccc(Cl)cc1Cl)NCCn1cc(Cl)cn1 17074829 YLFBDZMXKJDMMY-UHFFFAOYSA-N 363.701 4.484 30 50 FIEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2Cl)nc1N1CCOCC1 20387955 WYSSWELDYMNWDK-UHFFFAOYSA-N 367.758 4.129 30 50 FIEA C=CCn1c(SCC(=O)c2ccc(OC(C)C)cc2)nnc1C1CC1 155947498 LCXBQTZXCHPZLE-UHFFFAOYSA-N 357.479 4.104 30 50 FIEA C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC 843976 MVZHVYPUBOKHKI-ZROIWOOFSA-N 355.415 4.056 30 50 FIEA C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 957032 ZMLNAYADEGHVEF-UHFFFAOYSA-N 358.448 4.393 30 50 FIEA CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 1215476 MJWKOVLDDYCJFS-ZHACJKMWSA-N 359.223 4.216 30 50 FIEA CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 4916062 MUVMMCBVNFXELM-GOEBONIOSA-N 367.470 4.151 30 50 FIEA C[C@@](/N=C(/O)c1cccc([N+](=O)[O-])c1F)(C(=N)O)c1cccc(Cl)c1 328592903 MXHNIHLIBSXBNY-INIZCTEOSA-N 365.748 4.143 30 50 FIEA C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)c1ccc(F)c(F)c1 332107373 ACOJGDJOGQOJTC-HNAYVOBHSA-N 374.435 4.203 30 50 FIEA C#CCCC1(CCC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)N=N1 952880324 JYQUVFYKJXONQW-AWEZNQCLSA-N 353.422 4.283 30 50 FIEA CCOc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1OC 1475948 AEPNIBDWKSJSHL-UDWIEESQSA-N 368.462 4.206 30 50 FIEA CS(=O)(=O)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 4118309 TWRUMAROCHYCQN-WEVVVXLNSA-N 371.241 4.228 30 50 FIEA CSc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 6794412 QGADATSJFLFACJ-VCHYOVAHSA-N 360.895 4.491 30 50 FIEA C=CC(=O)N(Cc1cccc(C#N)c1)Cc1ccc2cc(OC)ccc2c1 1875386123 JHWORAVZZKUVGZ-UHFFFAOYSA-N 356.425 4.435 30 50 FIEA CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 17730418 GZSIETKQGOXSNR-FQEVSTJZSA-N 369.461 4.094 30 50 FIEA CC1=C(CNc2cccnc2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 100664611 HGBPGPZOUBVYDI-OAQYLSRUSA-N 363.436 4.301 30 50 FIEA N#CCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 291322483 KLUQFHDLDZZFSM-UHFFFAOYSA-N 365.408 4.051 30 50 FIEA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32C(C)=O)C1 1848443825 BDJNJWJAJKMWQI-QXDOANOMSA-N 374.521 4.297 30 50 FIEA C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(OC)c1O 18115869 ATSUKRPQMRZMNQ-SFQUDFHCSA-N 366.442 4.021 30 50 FIEA O=C1CCCC2=C1C(c1cccc(Br)c1)C1=C(CCCC1=O)N2 19781584 DSENXXNBPDKUMA-UHFFFAOYSA-N 372.262 4.150 30 50 FIEA CC(C)(C)c1ncsc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 332410533 GKBPIBPGRHEGFT-UHFFFAOYSA-N 351.475 4.242 30 50 FIEA O=C1C[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6819796 DBWRHXJXPLJKCI-WFASDCNBSA-N 369.823 4.483 30 50 FIEA C=CCn1c(SCc2cccnc2Cl)nnc1-c1cccc(OC)c1 158854826 HJUASCIWCPNWDY-UHFFFAOYSA-N 372.881 4.480 30 50 FIEA CO[C@@]1(C)CCCN(C(O)=Nc2cc(Cc3ccccn3)ccc2C)C1 328686148 GDRDOGFTRLCCLR-NRFANRHFSA-N 353.466 4.027 30 50 FIEA C=C(C)CN(CC)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 12438161 PUHSNPCBMICXQC-JOCHJYFZSA-N 374.569 4.089 30 50 FIEA Fc1ccc(NC(=S)N/N=C(/c2ccccc2)C(F)(F)F)c(F)c1 17074071 SFLGLDIGBQXAGI-XKZIYDEJSA-N 359.323 4.218 30 50 FIEA O=[N+]([O-])c1cc(Br)c(O)c(C=Nc2ccc3ncccc3c2)c1 252680201 XLKMITSXHKQGJF-UHFFFAOYSA-N 372.178 4.362 30 50 FIEA COc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1OC 1143570 QDYVCORVEHEEFA-UHFFFAOYSA-N 352.415 4.375 30 50 FIEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1 19772489 LIAKGBFHHZIGPB-QFIPXVFZSA-N 373.452 4.495 30 50 FIEA Cc1ccc(C#N)c(N2CCOc3c(O)cc(-c4ccccc4C)cc3C2)n1 67868465 AZDAHDYPXGVNOD-UHFFFAOYSA-N 371.440 4.342 30 50 FIEA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(F)cc(C#N)c2)cc1 77408294 OAXBZXXFXTYRHA-OAQYLSRUSA-N 365.452 4.126 30 50 FIEA C=CCN1C[C@H](C)N(C(=O)c2cccc(-c3cc(C)nc(C)c3)c2)C[C@@H]1C 1565513328 HLXAZBGYODNLTQ-OALUTQOASA-N 363.505 4.086 30 50 FIEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCC(c2ccccc2C#N)CC1 2325806925 OJJWIVWPCXGFMB-VGOFRKELSA-N 354.494 4.008 30 50 FIEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)N=N1 2325894797 QGBWYOCIMZLGMH-GOSISDBHSA-N 366.509 4.033 30 50 FIEA CC1(C)Cc2c(sc(NC(=O)COc3ccccc3)c2C#N)CS1 857309 ZKTLDZMCXSJMBA-UHFFFAOYSA-N 358.488 4.205 30 50 FIEA S=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccc(Br)cc1 1245146 IJWLJDZJESIQMV-LICLKQGHSA-N 359.252 4.252 30 50 FIEA C=CCn1c(SCc2ccccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 2836393 HPNLMSDSOXXEMU-UHFFFAOYSA-N 370.409 4.471 30 50 FIEA COc1ccc(-c2c(C)sc(NC(=O)c3cc(C)on3)c2C#N)cc1 13328112 OKVKTJGZSJKRHI-UHFFFAOYSA-N 353.403 4.153 30 50 FIEA N#Cc1c(-c2cnc(-c3ccco3)nc2)cc(-c2cccc(F)c2)nc1N 67852090 ATVIFKWLEBEOBC-UHFFFAOYSA-N 357.348 4.059 30 50 FIEA CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OCC)cc2)C[C@H]1c1ccsc1 241707072 QMKFDBKMTHRKHQ-AZUAARDMSA-N 370.470 4.466 30 50 FIEA CO/N=C/[C@H](C)C(=O)c1ccc2c(Br)c(OC)ccc2c1 5211263 KDKDJOQADHYJDM-NTOSSWPYSA-N 350.212 4.062 30 50 FIEA C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccccc1O 101358562 TXEVLGXTEJXXDR-MNQDVBFDSA-N 357.413 4.383 30 50 FIEA CCOc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1 239046943 FZZHFFZDZXZRKW-UHFFFAOYSA-N 358.854 4.168 30 50 FIEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(C(C)C)cc2)cc1 239203379 SFXNYYXIFLHPKC-UHFFFAOYSA-N 352.463 4.248 30 50 FIEA CC1(C)[C@H](C(F)(F)F)CCN1/C(O)=N/Cc1coc(-c2cccs2)n1 329886985 WWPZPBAZJKUVFY-GFCCVEGCSA-N 373.400 4.480 30 50 FIEA COc1cc(/C=C/C(=O)c2ccc3ccccc3c2O)cc(OC)c1OC 3916262 RWLQOFFOVBKUNG-DHZHZOJOSA-N 364.397 4.467 30 50 FIEA Cc1nn(C)cc1C(=O)/C=C\c1ccc(COc2cccc(Cl)c2)o1 30852009 QZVDQSSWEKEKES-HJWRWDBZSA-N 356.809 4.450 30 50 FIEA C#CCN(Cc1ccco1)C(=O)c1ccc(CSc2ccccn2)cc1 55393626 LFJRLLSDRFVXKU-UHFFFAOYSA-N 362.454 4.243 30 50 FIEA CO[C@@](F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F 100008354 QKAGYSDHEJITFV-SCSAIBSYSA-N 350.074 4.329 30 50 FIEA C=CCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccccc1-2 2878226 RHFWXNZJVHLSGY-MRXNPFEDSA-N 352.419 4.221 30 50 FIEA CCc1ccccc1/N=C/c1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 169693280 DWAFKIDFKWJACW-ZMOGYAJESA-N 354.413 4.274 30 50 FIEA N#Cc1ccc(CNC(=O)c2ccccc2SC(F)(F)F)c(F)c1 729832992 XSCBTQPGIIHLIX-UHFFFAOYSA-N 354.328 4.239 30 50 FIEA N#Cc1c(SCC(=O)Nc2ccccc2)ncc2cc3ccccc3nc12 1112543 JDWIUIBKOKGHFA-UHFFFAOYSA-N 370.437 4.385 30 50 FIEA C=CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 96836826 KSFBTMRFQUMTJS-LJQANCHMSA-N 365.429 4.191 30 50 FIEA COc1cc(OC)c(OC)cc1/C=N/Nc1nc2cc(C)ccc2cc1C 4982292 UZHQITXLJYUELL-WSDLNYQXSA-N 365.433 4.323 30 50 FIEA C=CCNC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12586095 INAQDABUUXSONN-UHFFFAOYSA-N 362.901 4.042 30 50 FIEA N#Cc1cccc(OCCCSCc2csc(-c3ncccn3)n2)c1 170668119 UYCSJYAWFXGUSH-UHFFFAOYSA-N 368.487 4.174 30 50 FIEA Cc1ccc(OC(F)F)c(Cn2nc(C(C)(C)C)c(CCC#N)c2O)c1 427511675 MGGZKBNTACBQQL-UHFFFAOYSA-N 363.408 4.301 30 50 FIEA