smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCCCCCC1=NCCN1CCOCCC(=O)OC 100303104 MDACUSSBOYFWQT-UHFFFAOYSA-N 354.535 4.201 30 30 FIEC CCOc1ccccc1NC(=O)O/N=C(\N)Cc1cccc2ccccc12 4392997 QBOVHWYNQMSOLX-UHFFFAOYSA-N 363.417 4.302 30 30 FIEC C(=N/Nc1ncc(-c2ccc3c(c2)OCCCO3)s1)\c1cccs1 4394878 GQFJBQIVMHABOG-VXLYETTFSA-N 357.460 4.479 30 30 FIEC CC(C)(C)c1ccc(/N=C2\SCC(=O)N2CCc2ccccn2)cc1 1044687 QETWGHZGRICRLV-QOCHGBHMSA-N 353.491 4.185 30 30 FIEC C/C(=N\N=C(/N)S)c1ccc(Oc2c(Cl)cncc2Cl)cc1 13469871 ZAKRNKMZQWVQEU-UFWORHAWSA-N 355.250 4.149 30 30 FIEC C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]5O[C@H]5C[C@]34C)[C@@H]1C[C@@H](N1CCCC1)C2=O 143578390 ZZMJTNMGPPBIOY-XOOAEVRLSA-N 357.538 4.050 30 30 FIEC Cc1ccc([S@@](C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 13466472 COJOXMUWAXTTQX-HHHXNRCGSA-N 374.465 4.087 30 30 FIEC Cc1ccc(NS(C)(=O)=O)cc1/N=C/c1ccc(Cl)c(Cl)c1 1026875 QYVSQTJDDPAMHB-GIJQJNRQSA-N 357.262 4.424 30 30 FIEC CC[C@@H]1CC(=NOC)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839069 ZTUGOPPWZDJEOW-NSHDSACASA-N 360.255 4.229 30 30 FIEC CSc1nc2c(C#N)c(SC)nn2c(-c2ccc(Cl)cc2)c1C#N 1037611 XPEXCQBNKAUOFM-UHFFFAOYSA-N 371.878 4.237 30 30 FIEC C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 536949361 GSTLADHJUCJPFT-GOSISDBHSA-N 371.820 4.121 30 30 FIEC CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 2265279259 XFKKDQKAAHCHMQ-UHFFFAOYSA-N 368.277 4.088 30 30 FIEC CSc1nc(Nc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1C#N 1043102 ZTSMBBOPDBKJGN-UHFFFAOYSA-N 354.313 4.346 30 30 FIEC O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1c1ccccc1 254591401 FUZYHKJJQNUUEW-UHFFFAOYSA-N 358.357 4.089 30 30 FIEC O/N=C1/c2ccccc2-c2nnc(-c3cccc(OC(F)(F)F)c3)cc21 13464926 HCPBRYBGADOGMS-ULJHMMPZSA-N 357.291 4.249 30 30 FIEC CC(C)(C)c1cc2nc(C(F)(F)F)cc(N/N=C/c3ccccc3)n2n1 4362595 KEMGBOIORPYLTO-SSDVNMTOSA-N 361.371 4.492 30 30 FIEC CON=C1C[C@@H](C(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 1082839061 JGUIBMGZBORCCF-ZDUSSCGKSA-N 374.282 4.475 30 30 FIEC CCN(CC)CC/C(=N/OC(=O)Nc1ccc(OC)cc1)c1ccccc1 4211961 XPHBRTNHVJSEQD-ATJXCDBQSA-N 369.465 4.380 30 30 FIEC in-man C=CC[C@@](C(=O)OC)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103833145 CZHAQBXHTVRAAA-LURJTMIESA-N 350.152 4.117 30 30 FIEC C(=N/OCc1nnc(-c2ccc3ccccc3c2)o1)\c1cccc2c1OCO2 4334374 OZHYRDCLPSPGOM-SSDVNMTOSA-N 373.368 4.169 30 30 FIEC CCCCCCCC[C@@H](O)CCCCCCCCC(=O)OC[C@@H](O)CO 299803566 YXCWBAVCGCELMD-UXHICEINSA-N 374.562 4.115 30 30 FIEC C[C@@H](NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 1041767 PVWQTWSDPZBROQ-XTTRTJGBSA-N 368.289 4.258 30 30 FIEC Cn1ncc(Br)c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N 2382215920 WMQUQMQPCWAPBJ-UHFFFAOYSA-N 370.609 4.055 30 30 FIEC CC(C)CCC1=C(O)C(C(=O)CC(C)C)=C(O)[C@@](O)(CCC(C)C)C1=O 100126780 SVMGKPICAQNQDY-OAQYLSRUSA-N 366.498 4.412 30 30 FIEC C[C@H](NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 1041765 PVWQTWSDPZBROQ-XPAGJJBOSA-N 368.289 4.258 30 30 FIEC CN(C)c1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2Cl)cc1 1041785 OGNNXXYSZQJARG-VXLYETTFSA-N 367.305 4.380 30 30 FIEC CCOC(=O)c1c(C)c(C#N)c(NC(=O)c2ccccc2)n1-c1ccccc1 1046971 IATVONRMXGIYFO-UHFFFAOYSA-N 373.412 4.086 30 30 FIEC O=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1cccnc1 15924275 LAQVRMYBKDEGQT-CYVLTUHYSA-N 352.246 4.152 30 30 FIEC Fc1cc(-c2ccc(/N=C3\CCCN3)c(F)c2)ccc1/N=C1\CCCN1 537922 NHTMYQFUQFNSKL-UHFFFAOYSA-N 354.404 4.459 30 30 FIEC in-man Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)Nc1ccc(F)cc1 1041713 BKIALOYMTXYSPK-CNHKJKLMSA-N 358.225 4.159 30 30 FIEC COc1ccc([C@@H](C=NOCc2ccc(Cl)cc2)C(C)=O)cc1OC 2265279431 AEXQMGUYGBLMQU-KRWDZBQOSA-N 361.825 4.232 30 30 FIEC N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccco1 20432633 NFAAXHAXRUCXOV-UHFFFAOYSA-N 352.806 4.472 30 30 FIEC CC[C@H]1CC(=NOC)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839068 ZTUGOPPWZDJEOW-LLVKDONJSA-N 360.255 4.229 30 30 FIEC O=S(=O)(O[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 3119013 KWEPQVNSZOSHJQ-AWEZNQCLSA-N 364.772 4.219 30 30 FIEC COC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]43C)O2)C1=O 257433501 HFBFVIXWFQKASY-QPAOKJHLSA-N 358.478 4.344 30 30 FIEC Cc1onc(-c2c(Cl)cccc2Cl)c1/C(N)=N/OC(=O)C(C)(C)C 95629534 FYJMPRCYFCWMCU-UHFFFAOYSA-N 370.236 4.166 30 30 FIEC C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21C 261506658 SCTDPGXGNWEFNF-LQRGBYOBSA-N 355.478 4.324 30 30 FIEC O=[N+]([O-])c1ccc(NN=C2C[C@@H]3C[C@H](C2)c2ccccc23)c([N+](=O)[O-])c1 96328208 BQDKYXXYYNMLHU-TXEJJXNPSA-N 352.350 4.336 30 30 FIEC CC/N=C(/S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(F)cc1 13658362 OQOOPJFBMWZREC-MJGOQNOKSA-N 353.466 4.455 30 30 FIEC COC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@@]43C)O2)C1=O 140147251 HFBFVIXWFQKASY-FHQLIMNDSA-N 358.478 4.344 30 30 FIEC CCCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccccc1 14096713 BLWOBQRSCFXNIN-FYYLOGMGSA-N 374.569 4.441 30 30 FIEC C#CCOC(=O)Nc1cnc(Sc2ccccc2)c(C(F)(F)F)c1 4335925 BFZJLWWHJVYONY-UHFFFAOYSA-N 352.337 4.433 30 30 FIEC Cc1ccc(NC(=O)[C@@H](C#N)C(=S)Nc2ccccc2Cl)c(C)c1 1024549 RPFYDALFPVLWTD-CYBMUJFWSA-N 357.866 4.475 30 30 FIEC CC(C)CC(=O)ON=C1C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 725273997 GIHROLWNJVLGDF-UHFFFAOYSA-N 370.836 4.180 30 30 FIEC CC(C)(C)OC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)(C2CC2)CC1 2265384882 BYPNBOZBDCRJFW-UHFFFAOYSA-N 351.296 4.260 30 30 FIEC CC(=O)C(=CNc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1 2265279837 NDSXWUMGJJMYEG-UHFFFAOYSA-N 364.323 4.109 30 30 FIEC COc1ccc(OC)c(C=NNc2cc(C(F)(F)F)cc(Cl)n2)c1 888087584 DIDNENSKRZPRDY-UHFFFAOYSA-N 359.735 4.217 30 30 FIEC O=C1/C(=C/c2cccs2)N=C(c2ccccc2)N1/N=C/c1ccccc1 1036485 IAJNSGDXJYWYQS-ZXKVDMDYSA-N 357.438 4.412 30 30 FIEC CCCCCCCCCCCCCOCCOCCOS(=O)(=O)O 111903466 GPHSQVBETPHGQE-UHFFFAOYSA-N 368.536 4.150 30 30 FIEC CC(C)[C@@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839318 XJPKMJVMPZRUOJ-LBPRGKRZSA-N 360.255 4.303 30 30 FIEC O=C(ON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 254497226 MLBYCNSVHWRVMY-UHFFFAOYSA-N 373.796 4.039 30 30 FIEC Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C/C(=O)c1ccccc1 1042500 OBXHQXWKPKEUCT-SRZZPIQSSA-N 368.776 4.329 30 30 FIEC COc1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1OC 1041721 ZESPARBCLSPZPC-UDWIEESQSA-N 357.479 4.148 30 30 FIEC C=CCNC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 4334958 XCXOXFKUMDUJRG-MAUKXSAKSA-N 353.516 4.132 30 30 FIEC O[C@@H](COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN1CCCCC1 4299608 ABDQJFOHNCZUEJ-RXULLKCLSA-N 372.896 4.316 30 30 FIEC Cc1cc(C)c(C#N)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 1029716 FEKAFFKYHUIYBJ-UHFFFAOYSA-N 373.412 4.380 30 30 FIEC Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1C#N 1041286 FHLWTDXAVJIIML-UHFFFAOYSA-N 351.353 4.011 30 30 FIEC Cc1ccc(C(=O)ON=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4053400 PHEIYWQHQKDHRK-UHFFFAOYSA-N 367.405 4.084 30 30 FIEC C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1c(O)cc(C)oc1=O 4323349 SMQKWKREYHBRFM-CNHKJKLMSA-N 361.612 4.450 30 30 FIEC Cc1onc(-c2ccccc2)c1C(=O)/N=C(/N)c1ccc(C(F)(F)F)cc1 15924046 OSFRRQALNQTPHH-UHFFFAOYSA-N 373.334 4.215 30 30 FIEC CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N 1043853 IVGTVZGLPHBTJV-UHFFFAOYSA-N 367.183 4.374 30 30 FIEC FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]n1 97949894 MWWFPMSATDOKQQ-UHFFFAOYSA-N 354.094 4.353 30 30 FIEC N#Cc1ccc(SCCOC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 3125914 KWMJQEFWZQSADP-UHFFFAOYSA-N 362.794 4.069 30 30 FIEC CC(=O)C1=C(O)C(=O)N(c2c(F)cc(Cl)cc2F)[C@H]1C1CCCCC1 95937517 KSJQBXSADLVHFM-HNNXBMFYSA-N 369.795 4.315 30 30 FIEC CCC[C@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082838153 WLPLAFLTSSMRAN-LLVKDONJSA-N 360.255 4.447 30 30 FIEC CC(C)(C)c1ccc(NC(=O)N(CCC#N)CCc2ccccn2)cc1 4307713 LAHQHAMPFBRJQS-UHFFFAOYSA-N 350.466 4.369 30 30 FIEC Cc1ccc2c(c1)C(=NOS(=O)(=O)c1ccc(Cl)cc1)CCS2 254410645 XDBZWBMODWJYFA-UHFFFAOYSA-N 367.879 4.254 30 30 FIEC COc1cccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)c1 1036186 FRVHMARSLQFJQP-WSDLNYQXSA-N 361.426 4.016 30 30 FIEC C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12 4894944 IZMLIPWETMVSPU-UHFFFAOYSA-N 367.449 4.139 30 30 FIEC CCCCCCCC[C@H](O)CCCCCCCCC(=O)OC[C@@H](O)CO 299803565 YXCWBAVCGCELMD-PMACEKPBSA-N 374.562 4.115 30 30 FIEC CON=C1CC(C)(C)Cc2nnc(-c3ccc(Br)cc3)cc21 1082838129 HLQNJCGTBIPPCA-UHFFFAOYSA-N 360.255 4.229 30 30 FIEC COc1cccc(C=CC(=O)C=Cc2cccc(OC)c2OC)c1OC 2265302124 LSNRKPCFLXRJGN-UHFFFAOYSA-N 354.402 4.017 30 30 FIEC Cc1c(C(=O)O/N=C(\N)c2ccc(C(F)(F)F)cc2)oc2ccccc12 4336077 LNFJGECRDGWTQY-UHFFFAOYSA-N 362.307 4.237 30 30 FIEC O=S(=O)(O[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 3119014 KWEPQVNSZOSHJQ-CQSZACIVSA-N 364.772 4.219 30 30 FIEC C=C(C)n1c(=O)n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 1042579 ULMAAMCUYHESIL-UHFFFAOYSA-N 363.295 4.210 30 30 FIEC COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2cccs2)o1 1039457 ZLSBZWFLDHEKEJ-RQZCQDPDSA-N 361.400 4.047 30 30 FIEC N#Cc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 3131777 AIRCMWWBMDSKHA-UHFFFAOYSA-N 362.621 4.286 30 30 FIEC O=S(=O)(Oc1ccc(N=Cc2cccs2)cc1)c1ccc(F)cc1 254555615 BFCWKJLIFBXCAR-UHFFFAOYSA-N 361.419 4.406 30 30 FIEC C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21CC 263584090 JVAXHHMFOCPTOZ-CLAROIROSA-N 354.490 4.121 30 30 FIEC O=S(=O)(O/N=C1\CCSc2ccc(F)cc21)c1ccc(Cl)cc1 4390406 QKDBDVWRXVGTSC-NBVRZTHBSA-N 371.842 4.085 30 30 FIEC O=C(C(=NN=Cc1ccc2c(c1)OCO2)c1ccccc1)c1ccccc1 254741364 OAZCDDWGLLBVMQ-UHFFFAOYSA-N 356.381 4.121 30 30 FIEC CC(C)=CC[C@@H](OC(=O)C=C(C)C)c1coc(C2=CC(=O)C=CC2=O)c1 85663139 WLECSSLQABRRMO-LJQANCHMSA-N 354.402 4.278 30 30 FIEC biogenic Cc1n[nH]c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 1036852 BSOMIYKNSOWLSD-IBGZPJMESA-N 350.466 4.094 30 30 FIEC CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265347509 VPGRYOFKCNULNK-SZAWYWIZSA-N 372.505 4.267 30 30 FIEC CSc1nc(/N=C/N(C)C)n(-c2c(Cl)cc(Cl)cc2Cl)n1 100381523 SKHCHNCBPIHWSV-OMCISZLKSA-N 364.689 4.171 30 30 FIEC COc1cccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)c1 1034596 UCOZRAYLUQUWFK-UHFFFAOYSA-N 354.413 4.370 30 30 FIEC COc1cccc([C@@H](OS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)c1 95093267 XOEKJPUCSHTUOH-OAHLLOKOSA-N 360.353 4.013 30 30 FIEC CC(C)(C)c1cc(C(=O)NCc2ccc(C#N)cc2)n(Cc2ccccc2)n1 1035225 BIPMOXKKOMLVRB-UHFFFAOYSA-N 372.472 4.031 30 30 FIEC CCOC(=O)c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 4344503 PAJODKKTPHQAHF-DJKKODMXSA-N 353.205 4.322 30 30 FIEC O=C(/C(=N\N=C\c1ccc2c(c1)OCO2)c1ccccc1)c1ccccc1 1026940 OAZCDDWGLLBVMQ-YUPNQUPXSA-N 356.381 4.121 30 30 FIEC C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 96030737 DYIJDDWIJGVQBE-VKQBRNHGSA-N 354.490 4.450 30 30 FIEC COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(N=[N+]=[N-])cc1 8214473 DCXHLPGLBYHNMU-UHFFFAOYSA-N 364.361 4.216 30 30 FIEC in-man CN(C)C=CC(=O)[C@H](Cc1c(F)cccc1Cl)C(=O)c1ccccc1 2265269887 BFIJEZTVDIBSKM-INIZCTEOSA-N 359.828 4.165 30 30 FIEC O=[N+]([O-])c1ccc(ON=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 32221354 JDIIKYFZOYLTKL-UHFFFAOYSA-N 363.329 4.334 30 30 FIEC COc1ccc([C@H](C=NOCc2ccc(Cl)cc2)C(C)=O)cc1OC 2265279432 AEXQMGUYGBLMQU-QGZVFWFLSA-N 361.825 4.232 30 30 FIEC COc1ccc(-c2nc(-c3csc(C)n3)nc(SC)c2C#N)cc1 1035810 UQEWSDSMRXPIJM-UHFFFAOYSA-N 354.460 4.178 30 30 FIEC O/C(CN1CCSCC1)=N\c1nc(-c2ccc(Cl)cc2)cs1 20458995 VRKBQJHXUXNPSQ-UHFFFAOYSA-N 353.900 4.100 30 30 FIEC C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 536949362 GSTLADHJUCJPFT-SFHVURJKSA-N 371.820 4.121 30 30 FIEC CC(=NOCc1cccc(C(F)(F)F)c1)c1sc2ncnn2c1C 254700255 LNPGNNZGDJIDMU-UHFFFAOYSA-N 354.357 4.059 30 30 FIEC Oc1ccccc1/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 1044728 CLPMGIKPQBWUHB-DNTJNYDQSA-N 373.787 4.385 30 30 FIEC O=C(NC(=O)c1c(Cl)cccc1Cl)O/N=C1/CCCc2occc21 4366253 LNFTUCQCVSPOBM-NDENLUEZSA-N 367.188 4.193 30 30 FIEC C=CCn1c(=S)sc2c(Sc3nc4ccccc4[nH]3)ncnc21 4333658 UIWWHXCVVIGSKK-UHFFFAOYSA-N 357.489 4.436 30 30 FIEC CCCCCCC[C@H]1C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)N=C1C 95719307 HKVNOVAMCSGDOO-MRXNPFEDSA-N 370.902 4.224 30 30 FIEC COC(=O)c1cnn(-c2ccc(Cl)cc2)c1/C=N/c1ccc(C)cc1 1031835 BWWTYOSKMWBXBQ-CIAFOILYSA-N 353.809 4.371 30 30 FIEC C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1C[C@@H](N1CCCC1)C2=O 142045787 ZZMJTNMGPPBIOY-AECDSPJMSA-N 357.538 4.050 30 30 FIEC Cc1ccccc1C(=O)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254569079 KOKRLKNMCNPLHN-UHFFFAOYSA-N 356.381 4.234 30 30 FIEC O=C1CS/C(=N\c2cc(Cl)cc(Cl)c2)N1Cc1cccnc1 18164864 ZMIUJRDDBXLUOY-CYVLTUHYSA-N 352.246 4.152 30 30 FIEC C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21CC 263584091 JVAXHHMFOCPTOZ-MLNNCEHLSA-N 354.490 4.121 30 30 FIEC in-vitro Cc1ccc(NC(=O)[C@H](C#N)C(=S)Nc2ccccc2Cl)c(C)c1 1024550 RPFYDALFPVLWTD-ZDUSSCGKSA-N 357.866 4.475 30 30 FIEC CC(C)[C@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839317 XJPKMJVMPZRUOJ-GFCCVEGCSA-N 360.255 4.303 30 30 FIEC CC(C)CCC1=C(O)C(C(=O)CC(C)C)=C(O)[C@](O)(CCC(C)C)C1=O 100126778 SVMGKPICAQNQDY-NRFANRHFSA-N 366.498 4.412 30 30 FIEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1sc2ccccc2c1C 4302215 XOJPHIUZPMSGLB-LJQANCHMSA-N 367.470 4.351 30 30 FIEC CC(C)=CC[C@H](OC(=O)C=C(C)C)c1coc(C2=CC(=O)C=CC2=O)c1 85663137 WLECSSLQABRRMO-IBGZPJMESA-N 354.402 4.278 30 30 FIEC biogenic Cc1ccc([S@](C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 100214747 COJOXMUWAXTTQX-MHZLTWQESA-N 374.465 4.087 30 30 FIEC CON=C1CC(C)(C)Cc2nc(NC(=O)c3ccc(Cl)cc3)sc21 1082838138 VUSHHWLXJQKWNC-UHFFFAOYSA-N 363.870 4.372 30 30 FIEC COC(=O)c1cc(C#N)c2oc(-c3cccc(Br)c3C)nc2c1 2048485860 GFMNCYJNVZFWTB-UHFFFAOYSA-N 371.190 4.224 30 30 FIEC CC(C)(O)C#Cc1ccc(/C=N/OC(=O)Nc2ccc(Cl)cc2)cc1 1039405 MVHIXBKEHWMLMF-FYJGNVAPSA-N 356.809 4.045 30 30 FIEC COC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)CCC[C@]34C)O2)C1=O 238746936 HFBFVIXWFQKASY-CTOYSFNJSA-N 358.478 4.344 30 30 FIEC COc1ccc(C=Nc2ccnc3cc(OC)c(OC)cc23)cc1OC 255980898 JIGAQXOHSFIRIS-UHFFFAOYSA-N 352.390 4.020 30 30 FIEC COc1cc(Sc2cc(Br)ccc2OC)ccc1C#N 2265383697 RTWFHJIYEKQJCN-UHFFFAOYSA-N 350.237 4.489 30 30 FIEC Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=Cc1ccc[n+](C)c1 2265279043 GPQQKMFSUONKJG-UHFFFAOYSA-N 355.870 4.493 30 30 FIEC O=C(Nc1ccc(C(F)(F)F)cc1)O/N=C/c1cccc([N+](=O)[O-])c1 1042742 HXMDGGVMHKWCLO-DJKKODMXSA-N 353.256 4.196 30 30 FIEC C[C@]12C=CC(=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 4214337 NZUIUYWHFPQZBH-HXCATZOESA-N 364.485 4.082 30 30 FIEC in-man CC(C)(C)OC(=O)N1CC[C@@H](C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)C1 2265385248 WEMXQLOACMRYBO-WPUWVODUSA-N 363.307 4.260 30 30 FIEC N#CCCN(Cc1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1 3046257 VXBHLBLJCDRSBC-UHFFFAOYSA-N 353.300 4.126 30 30 FIEC COc1cc(/N=C/c2cc(OC)c(OC)c(OC)c2)c(OC)cc1Cl 2160595 PEBPQCKGGPURAJ-KEBDBYFISA-N 365.813 4.134 30 30 FIEC CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 4804981 RWGSFMGQJFCHTC-ORKYMPNQSA-N 362.485 4.032 30 30 FIEC biogenic,in-vitro CN(C)c1ccc(/C=N/OC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1042744 RPKRKALGXXYLES-SRZZPIQSSA-N 351.328 4.354 30 30 FIEC CCO/C(C)=N\OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 4697048 UMFHRMZDOMHSRQ-NVMNQCDNSA-N 357.193 4.484 30 30 FIEC COc1ccc(C(=O)ON=Cc2ccc(OCc3ccccc3)cc2)cc1 254800981 PDVDUKKDPPEBRR-UHFFFAOYSA-N 361.397 4.465 30 30 FIEC CSc1c(C#N)c(-c2cccs2)nn1C(=O)C(Cl)(Cl)Cl 1037452 FFHBPOOMKAZXOL-UHFFFAOYSA-N 366.682 4.216 30 30 FIEC O=[N+]([O-])c1cccc(C=NNc2nc(C(F)(F)F)nc3ccccc23)c1 254814095 XNYGPCPHTYWRMD-UHFFFAOYSA-N 361.283 4.003 30 30 FIEC CON=C1C[C@H](C(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 1082839060 JGUIBMGZBORCCF-CYBMUJFWSA-N 374.282 4.475 30 30 FIEC CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO 111413526 JVYFNYHOTWROPA-UHFFFAOYSA-N 360.603 4.135 30 30 FIEC N#Cc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 4321669 KJAQLOYWQZDFPU-UHFFFAOYSA-N 351.383 4.118 30 30 FIEC N#C/C(=N\Nc1ccccc1Cl)C(=O)c1ccccc1OC(F)(F)F 3138456 UNFNHPPWRCHVAI-YDZHTSKRSA-N 367.714 4.413 30 30 FIEC CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 604970868 RWGSFMGQJFCHTC-NCYMWWEVSA-N 362.485 4.032 30 30 FIEC CCOc1ccc(C(=O)C=CC(=O)Nc2ccc(Br)cc2)cc1 2265279607 FJSBCUAMAKWQSK-UHFFFAOYSA-N 374.234 4.225 30 30 FIEC Cc1cc(C)c2c(n1)sc1c(=O)n(/N=C/c3ccccc3Cl)cnc12 1034701 VNDKHASUFGNSSJ-ODCIPOBUSA-N 368.849 4.159 30 30 FIEC COC1=CC(=O)C2=C(C[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)CCC[C@@]34C)O2)C1=O 257433502 HFBFVIXWFQKASY-XQTRSNPVSA-N 358.478 4.344 30 30 FIEC CCCCNC(=O)N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 5138958 FPYWTNQYNNPEIR-UHFFFAOYSA-N 366.509 4.166 30 30 FIEC CCOC(=O)c1c(C)nn(-c2ccc(/N=C\c3ccccc3O)cc2)c1C 20223891 ZCBJTOFEJLJVBD-XKZIYDEJSA-N 363.417 4.122 30 30 FIEC N#Cc1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1 12365488 ULAVWFANALBEHR-UHFFFAOYSA-N 366.380 4.406 30 30 FIEC COc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 1026651 BLPVEYJYZQHFNB-UFWORHAWSA-N 356.205 4.475 30 30 FIEC CN(C)c1ccc(/C=N/c2ccc(NC(=O)c3ccccc3O)cc2)cc1 1041840 KXHZVLQPYZNPPH-HZHRSRAPSA-N 359.429 4.461 30 30 FIEC O=C(O/N=C/c1ccc2c(c1)OCO2)C1c2ccccc2Oc2ccccc21 1038890 YGIJUQGXFQVEIP-FSJBWODESA-N 373.364 4.230 30 30 FIEC O=C(NOC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 1048674 QJEPBPOSGCYKCI-UHFFFAOYSA-N 362.571 4.288 30 30 FIEC S=C(Nc1ccc(Cl)cc1)N1CCN/C1=N\c1ccc(Cl)cc1 13468839 QFBITFWRRXJLEL-UHFFFAOYSA-N 365.289 4.283 30 30 FIEC C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 96030736 OMQDQOBQNOHRKO-VKQBRNHGSA-N 352.474 4.226 30 30 FIEC in-vitro C=CCNC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 4334957 XCXOXFKUMDUJRG-YJBOKZPZSA-N 353.516 4.132 30 30 FIEC CCN(CCC#N)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2158548 KVBGBLNXRRJWDN-UHFFFAOYSA-N 352.221 4.333 30 30 FIEC O=C(OCc1ccccc1)/C(Cl)=N/Nc1cccc(C(F)(F)F)c1 199451162 PJLRNGNRMWYEMZ-HMAPJEAMSA-N 356.731 4.413 30 30 FIEC Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1NS(C)(=O)=O 1026853 DKVDONWOMRDPCT-QGMBQPNBSA-N 373.261 4.130 30 30 FIEC Cc1csc(C(=O)O/N=C(\N)c2ccc(C(C)(C)C)cc2)c1Cl 4324010 QCOFEDCRERPQBT-UHFFFAOYSA-N 350.871 4.485 30 30 FIEC COc1cc(OC)cc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)c1 1046125 LBEFNQNMBYLSMK-UHFFFAOYSA-N 366.804 4.251 30 30 FIEC C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 1083104353 KGJMMWHIKVCYNV-UYLDGEFQSA-N 350.886 4.015 30 30 FIEC Oc1ccccc1C(=NNc1ccccc1)c1cnn(-c2ccccc2)c1 254699230 RQZZULLFKBRHPR-UHFFFAOYSA-N 354.413 4.442 30 30 FIEC C#C[C@@]1(O)CC[C@@H]2[C@@H]3[C@@H](C)CC4=C(CCC5(C4)OCCO5)[C@@H]3CC[C@@]21C 97743694 CEZIIFYCFVQGAR-SDMMXXRSSA-N 356.506 4.057 30 30 FIEC N#Cc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2162679 POMVXMJASACHTI-UHFFFAOYSA-N 353.212 4.186 30 30 FIEC O=[N+]([O-])c1ccc(/C=N/N=c2\[nH]c3c(Cl)cc(Cl)cc3s2)s1 4382710 PMTUGDRYGZSCAB-PJQLUOCWSA-N 373.246 4.441 30 30 FIEC CC(C)(C)OC(=O)N1CC/C(=C\B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 2265385278 AHHJGGBYRCGMMJ-OUKQBFOZSA-N 373.249 4.210 30 30 FIEC N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc([N+](=O)[O-])cc2)c1N 1034231 OOVHPSNHDOAPQE-UHFFFAOYSA-N 374.187 4.208 30 30 FIEC CCCCCCC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)N=C1C 100397203 HKVNOVAMCSGDOO-INIZCTEOSA-N 370.902 4.224 30 30 FIEC N#Cc1ccc(C#CCOC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3129166 GSFZOPNJTDZLDF-UHFFFAOYSA-N 360.291 4.057 30 30 FIEC N/C(=N\OC(=O)Nc1ccccc1)c1ccc(C2SCCS2)cc1 4382689 OKRRWVNPCLGMGS-UHFFFAOYSA-N 359.476 4.034 30 30 FIEC CCCC[C@H](C)[C@H](O)C#C[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)OC 33954699 WPNSDQNZGLPFNT-LKTBELLOSA-N 362.510 4.062 30 30 FIEC in-vitro C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(Cl)nc21 2382215886 AHONJPFWKBYTBV-SSDOTTSWSA-N 352.612 4.267 30 30 FIEC O=C(NC1CCCCC1)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254349084 LUFKNSSDAHUWPR-UHFFFAOYSA-N 363.417 4.128 30 30 FIEC CN1CCN(c2ccccc2/C=N\Nc2cc(Cl)ccc2Cl)CC1 33365242 LSXFUUWIYHCMII-BKUYFWCQSA-N 363.292 4.191 30 30 FIEC CN(C(=O)OC(C)(C)C)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 380962880 BNFGQSQKSWRGMM-UHFFFAOYSA-N 367.682 4.011 30 30 FIEC N/C(=N\OC(=O)c1cccs1)C1(c2ccc(Cl)cc2Cl)CC1 13658584 IYPDIBUNKRZFFM-UHFFFAOYSA-N 355.246 4.216 30 30 FIEC CCOC(=O)COc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1034710 LXNRYVPICWHPFH-UHFFFAOYSA-N 364.426 4.291 30 30 FIEC Cc1nc(Sc2ccc(Br)cc2)c(C#N)c(C)c1[N+](=O)[O-] 1042480 ZVKRQQLIVGVTJW-UHFFFAOYSA-N 364.224 4.392 30 30 FIEC CN1[C@H]2CC[C@H]1/C(=C\c1ccc(F)cc1)C(=O)/C2=C/c1ccc(F)cc1 100383388 YNDPKLQENDQLRZ-QGWHFPJSSA-N 351.396 4.477 30 30 FIEC COc1cc2c(c(OC)c1OC)C(=O)/C(=C/c1c(F)cccc1Cl)C2 3180910 HPBDRRGNAKNXOW-DHZHZOJOSA-N 362.784 4.327 30 30 FIEC COc1cc(/C=N/C2CCCCC2)c(Br)c(OC)c1OC 18143471 MAFMMAZSWXOBGC-VCHYOVAHSA-N 356.260 4.227 30 30 FIEC COc1ccc(-c2c(C#N)sc(C(N)=O)c2-c2ccc(OC)cc2)cc1 1039629 MAJCEUVTVOJDFD-UHFFFAOYSA-N 364.426 4.070 30 30 FIEC N/C(=N\OC(=O)c1ccc2ncsc2c1)c1ccc(Cl)cc1Cl 4362355 WOLCAJVNDVWFDZ-UHFFFAOYSA-N 366.229 4.080 30 30 FIEC CN(C)C=CC(=O)[C@@H](Cc1c(F)cccc1Cl)C(=O)c1ccccc1 2265269888 BFIJEZTVDIBSKM-MRXNPFEDSA-N 359.828 4.165 30 30 FIEC Cc1cc(Cl)cc(/C(=N\CCCC(N)=O)c2ccc(Cl)cc2)c1O 4217584 AOAFGVWKONLQRN-XLNRJJMWSA-N 365.260 4.110 30 30 FIEC in-man CCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO 111897497 IXWWIWYEZFJLLD-UHFFFAOYSA-N 372.594 4.464 30 30 FIEC Cn1nc(C(C)(C)C)cc1C(=O)O/N=C/c1c(Cl)cccc1Cl 1324158 RGCRHXIQPLGCDY-DJKKODMXSA-N 354.237 4.215 30 30 FIEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1sc2ccccc2c1C 4302214 XOJPHIUZPMSGLB-IBGZPJMESA-N 367.470 4.351 30 30 FIEC CCN(CC)c1ccc(N=C2C=C(NC(C)=O)C(=O)C(Cl)=C2C)c(C)c1 257351922 HYINZODUJDSJMX-UHFFFAOYSA-N 373.884 4.029 30 30 FIEC Cc1nn(-c2ccccc2)cc1/C=N/n1c(-c2cccs2)n[nH]c1=S 1034605 WHIPBRMXUDTUDU-VCHYOVAHSA-N 366.475 4.046 30 30 FIEC C#C[C@@]1(O)CC[C@@H]2[C@@H]3[C@@H](C)CC4=C(CCC(OC)(OC)C4)[C@@H]3CC[C@@]21C 97743693 UELCQPZSOLYWMG-SDMMXXRSSA-N 358.522 4.303 30 30 FIEC O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1/N=C/c1ccc(F)cc1 1036476 HBHXXAFDCKRSOM-UHKUBQJDSA-N 359.360 4.083 30 30 FIEC COc1ccc(Nc2c(C#N)c(Cl)c(C#N)c(Cl)c2C#N)cc1OC 3607222 JIFDJCNWIJUBKY-UHFFFAOYSA-N 373.199 4.369 30 30 FIEC CN(C)C=NC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2265279401 RPYZCGUDCHKDIM-UHFFFAOYSA-N 371.746 4.276 30 30 FIEC CC(C)(C)c1ccc(/C(N)=N/OC(=O)CCSc2cccs2)cc1 4389679 DVJHFMNHHJTFMP-UHFFFAOYSA-N 362.520 4.392 30 30 FIEC CC(=O)/C(=N\OCc1c(C)c(C)c(C)c(C)c1C)c1ccc2c(c1)OCO2 1048085 UMHFRQPXMHKZHI-GHVJWSGMSA-N 367.445 4.467 30 30 FIEC Cc1ccc(C(=O)ON=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 254702454 MTHGOVWESKRBIB-UHFFFAOYSA-N 356.381 4.234 30 30 FIEC O[C@H](COc1ccc(/N=C/c2ccc(Cl)cc2)cc1)CN1CCCCC1 4299609 ABDQJFOHNCZUEJ-BTVXTAIASA-N 372.896 4.316 30 30 FIEC COc1ccc(Br)cc1C=Cc1ccc([N+](=O)[O-])cc1C#N 2265279584 BBEFSICIQWTNPJ-UHFFFAOYSA-N 359.179 4.408 30 30 FIEC C=CCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 5157919 OBFQUSYTAIJWAB-UHFFFAOYSA-N 372.376 4.394 30 30 FIEC CCCCCCCc1ccc(C(=O)NC(=S)Nc2ncccn2)cc1 95749398 ZYAKIRDYVNXDAI-UHFFFAOYSA-N 356.495 4.116 30 30 FIEC O=C(Nc1ccccc1/C(=N/O)c1ccccc1)c1cccc([N+](=O)[O-])c1 4696931 HIYXGRZVCCNWQM-ZBJSNUHESA-N 361.357 4.074 30 30 FIEC Cc1onc(-c2ccccc2)c1NC(=O)O/N=C(\N)c1ccc(Cl)cc1 4322690 CQYZAPUGWXOSLO-UHFFFAOYSA-N 370.796 4.172 30 30 FIEC C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OP=O)c1ccnc2ccc(OC)cc12 299754793 RZWDVRPRQURTRE-FQZPYLGXSA-N 370.389 4.404 30 30 FIEC CSc1ccc(C)c(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1 1040196 JBDPGTXUGWQDAF-UHFFFAOYSA-N 353.447 4.191 30 30 FIEC C=CCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 38805622 ALJRFHLUYBIXCS-UHFFFAOYSA-N 367.449 4.139 30 30 FIEC CCOC(=O)COc1nc(-c2ccc(C)cc2)cc(-c2ccco2)c1C#N 1034708 CSCDSVQZIZPDNU-UHFFFAOYSA-N 362.385 4.131 30 30 FIEC 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 96030529 URXWVWVPMJSAJD-LAAXVVMPSA-N 370.489 4.185 30 30 FIEC CCOC(=O)c1cc(C#N)c(Sc2ccccc2)nc1C(F)(F)F 3046191 KNDFDEFKVUPILL-UHFFFAOYSA-N 352.337 4.300 30 30 FIEC CC1(C)OB(c2ccc([N+](=O)[O-])c3c2sc2ccccc23)OC1(C)C 198009935 QJRMUOGPEWWPRZ-UHFFFAOYSA-N 355.224 4.262 30 30 FIEC CN(C)c1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 1026934 UPUGFOBRUDUFNG-YCUQKKSASA-N 355.441 4.459 30 30 FIEC COc1cccc([C@H](OS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)c1 95093266 XOEKJPUCSHTUOH-HNNXBMFYSA-N 360.353 4.013 30 30 FIEC COc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC 3157658 HAVZBWLBOBVGOB-KEBDBYFISA-N 354.233 4.378 30 30 FIEC CN(C)/C=N/c1nnc(Sc2nc3cc(Cl)ccc3s2)s1 4300352 UELCHGKCXSNDCS-MKMNVTDBSA-N 355.901 4.174 30 30 FIEC CC(C)(O)C#Cc1ccc(/C=N/OC(=O)Nc2cccc(Cl)c2)cc1 1039406 YLUXYCYUDGBOFX-FYJGNVAPSA-N 356.809 4.045 30 30 FIEC O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1/N=C/c1ccccc1 3044851 YTOZPDOTYJJSAD-GSTHOKQGSA-N 351.409 4.351 30 30 FIEC C=CC[C@](C(=O)OC)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103833148 CZHAQBXHTVRAAA-ZCFIWIBFSA-N 350.152 4.117 30 30 FIEC CC(C)(C)OC(=O)N1CC[C@H](C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)C1 2265385247 WEMXQLOACMRYBO-JAGHRAMZSA-N 363.307 4.260 30 30 FIEC Cc1n[nH]c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2 1036853 BSOMIYKNSOWLSD-LJQANCHMSA-N 350.466 4.094 30 30 FIEC CCOC(=O)c1cc(C#N)c(Oc2ccc(C)cc2)nc1C(F)(F)F 3467408 PZOJENICRWLGNB-UHFFFAOYSA-N 350.296 4.250 30 30 FIEC N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 4351209 OCRWVVVRLXJTCA-OEAKJJBVSA-N 367.714 4.413 30 30 FIEC N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4323138 ZOJARJOAAKHKLW-UHFFFAOYSA-N 353.212 4.186 30 30 FIEC O=[N+]([O-])c1ccc(-c2csc(NN=C3Cc4ccccc4C3)n2)cc1 1025296 TXRHSBJYJJBARS-UHFFFAOYSA-N 350.403 4.285 30 30 FIEC CN(C)C=CC(=O)c1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 2265276944 YXYFSFIWARXILP-UHFFFAOYSA-N 373.378 4.361 30 30 FIEC CC(=O)C(=CNc1ccc(F)c(C(F)(F)F)c1)C(=O)Nc1ccccc1 2265272101 ZFXRXOPEEFDANB-UHFFFAOYSA-N 366.314 4.368 30 30 FIEC CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917780 VUHJZBBCZGVNDZ-NULLKMHESA-N 362.897 4.181 30 30 FIEC N#Cc1nccnc1N1CCC(C(c2ccccc2)c2ccccc2)CC1 1040144 FGCQERGTSGEKSA-UHFFFAOYSA-N 354.457 4.397 30 30 FIEC C=CCNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 4334955 XCXOXFKUMDUJRG-QAPCUYQASA-N 353.516 4.132 30 30 FIEC C#CCSc1nc(-c2ccc(C(F)(F)F)cc2)nc(C)c1C(C)=O 3046136 AQJDKMAYTNSGPY-UHFFFAOYSA-N 350.365 4.399 30 30 FIEC CS/C(=N\C#N)NCc1sccc1COc1ccc(Cl)cc1 4389903 MUWTYUNUOVJROD-UHFFFAOYSA-N 351.884 4.270 30 30 FIEC COc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)c(Cl)c1OC 1038866 BAPXCVRWPCOPOJ-DJKKODMXSA-N 354.189 4.202 30 30 FIEC O=[N+]([O-])c1ccc(N/N=C/C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 96331757 NMDINFCSGKUZSS-CPNJWEJPSA-N 354.366 4.413 30 30 FIEC CCCCCCCC[C@H](O)CCCCCCCCC(=O)OC[C@H](O)CO 299803567 YXCWBAVCGCELMD-VQTJNVASSA-N 374.562 4.115 30 30 FIEC N#Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1035224 IERFTTOEXQZMLJ-UHFFFAOYSA-N 357.413 4.459 30 30 FIEC O=C1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccccc1Cl 95629537 VHYDNGCMCFANHT-MNDPQUGUSA-N 365.241 4.397 30 30 FIEC Cc1ccc(C(=O)ON(C)C=CC(=O)c2ccc(Br)cc2)cc1 2265276427 QXPMACODNRVGRF-UHFFFAOYSA-N 374.234 4.158 30 30 FIEC Clc1nc(NN=Cc2ccc(Br)cc2)c2ccccc2n1 725274060 AHKFJDJFCLGPOH-UHFFFAOYSA-N 361.630 4.492 30 30 FIEC Cc1ccc(CN2C(=O)C(=NNc3cccc(F)c3)c3ccccc32)cc1 254394750 PFPTWAKFKKFZPH-UHFFFAOYSA-N 359.404 4.497 30 30 FIEC N#Cc1c(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)[nH]c1=O 1041072 GFJJCPWDOHQBNC-UHFFFAOYSA-N 357.200 4.359 30 30 FIEC C=CCNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 4334956 XCXOXFKUMDUJRG-CRAIPNDOSA-N 353.516 4.132 30 30 FIEC C=CCn1c(=O)n(-c2ccc(C)cc2)c(=O)c2cc(-c3ccccc3)sc21 1036430 SAQPKZORESLSNO-UHFFFAOYSA-N 374.465 4.375 30 30 FIEC CNc1ncc(C(=O)CC=NOCc2c(Cl)cccc2Cl)s1 255988656 MUBVJNCQFMHGHY-UHFFFAOYSA-N 358.250 4.267 30 30 FIEC CC(=O)c1ccc(C#CCOC(=O)c2ccc(C(F)(F)F)cc2)s1 3137759 MOTMNHJKQXCXQU-UHFFFAOYSA-N 352.333 4.178 30 30 FIEC COc1ccc(CON=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 254771619 PLDDIFNRAORFEP-UHFFFAOYSA-N 358.397 4.294 30 30 FIEC CO/N=C1\CC(C)(C)Cc2c(-c3ccn(C(C)=O)n3)sc(SC)c21 1038138 ACQAFVHKMVNYQR-CPNJWEJPSA-N 363.508 4.317 30 30 FIEC N#C/C(=N\Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 3083108 OJSVIQSHQJTOCZ-OEAKJJBVSA-N 367.714 4.413 30 30 FIEC CSc1sc(Br)c2c1/C(=N/OC(C)=O)CC(C)(C)C2 4350591 SENBCFIIGGIZLJ-OQLLNIDSSA-N 362.314 4.472 30 30 FIEC CCC[C@@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082838154 WLPLAFLTSSMRAN-NSHDSACASA-N 360.255 4.447 30 30 FIEC CC/N=C(/S)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 13658367 OQOOPJFBMWZREC-IEBWSBKVSA-N 353.466 4.455 30 30 FIEC CCCCCCCC[C@@H](O)CCCCCCCCC(=O)OC[C@H](O)CO 299803568 YXCWBAVCGCELMD-WOJBJXKFSA-N 374.562 4.115 30 30 FIEC Cc1ccc(C2=CC(=O)/C(=C\C(=O)c3ccc(Br)cc3)O2)cc1 95793037 RWGQCWLSBQUBPK-VXLYETTFSA-N 369.214 4.465 30 30 FIEC CN(C)c1ccc(/C=N/NC(=S)Nc2cc(Cl)ccc2Cl)cc1 1041717 JBYIQUGLBMUXPI-VXLYETTFSA-N 367.305 4.380 30 30 FIEC O=C1CCCC(=O)C1=NNc1c(Cl)cc(C(F)(F)F)cc1Cl 1043858 DYKVUHQACFDAPI-UHFFFAOYSA-N 353.127 4.102 30 30 FIEC C/C(Cn1c(=O)oc2ccccc21)=N\OC(=O)c1ccc(C(C)(C)C)cc1 13469550 LPQDEGPYIUIXNM-HYARGMPZSA-N 366.417 4.125 30 30 FIEC CON=Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1N 254557204 LEGGETRZDXUODU-UHFFFAOYSA-N 351.431 4.285 30 30 FIEC