smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CC[C@@H](n1cnc3c(O)nc(N)nc31)S2 169836024 ZEMORXRSJCJWKH-NQCMUKECSA-N 421.643 4.453 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 1056331 VRJZZNOOGKOJEM-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1cccc([N+](=O)[O-])c1 33340699 JEYZDPDAHKKBCP-LFVJCYFKSA-N 404.470 4.359 50 50 HIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Cl)c1Cl 2552861 OEQKMXPJONJMAU-QPJQQBGISA-N 419.095 4.180 50 50 HIGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NNC(=O)Nc3ccccc3)[C@](C)(O)CC[C@H]12 245254053 ZTDCFTYTBMWFAT-AAUAJYIVSA-N 401.551 4.223 50 50 HIGA N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2064518 KPGBIOHJKIENJT-JXAWBTAJSA-N 406.419 4.427 50 50 HIGA COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(C)s3)c2)cc1 5795642 ZTHJZWNBCNTMKX-PCLIKHOPSA-N 421.522 4.400 50 50 HIGA Cc1ccc(-c2cc(C(=O)NNc3nc(O)c4ccccc4n3)c3ccccc3n2)o1 758309121 MVEBCKRUIQXWSH-UHFFFAOYSA-N 411.421 4.209 50 50 HIGA COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1O 731176 VBLGZKPGZREUDB-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584754 SKBPBCFXKRLELZ-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cc(Br)ccc1O 4372549 PRVREFXEKLSQAX-UFFVCSGVSA-N 405.292 4.116 50 50 HIGA CCCCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1 5060536 CWIYDEGKHCMNCR-UHFFFAOYSA-N 416.330 4.351 50 50 HIGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1COc1cccc(C(F)(F)F)c1 17090543 KXTSVJSXWAIXGJ-OQLLNIDSSA-N 416.399 4.479 50 50 HIGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccco1 13896527 QAGMBIGARBESMC-XQNSMLJCSA-N 417.494 4.160 50 50 HIGA CC(C)(C)OC(=O)n1ccc2ccc(C(=O)NCCSSCCC(=O)O)cc21 1875388885 UMVVOWPJPXNOIL-UHFFFAOYSA-N 424.544 4.010 50 50 HIGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 9363658 DRHISOJXQNOCDE-DHRITJCHSA-N 401.514 4.431 50 50 HIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 713362 DREOQBDBNKGMCS-OAQYLSRUSA-N 419.868 4.373 50 50 HIGA O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1-n1cccc1 4999150 JNWBEZJVVHXSCP-UHFFFAOYSA-N 405.310 4.416 50 50 HIGA O=C(Cc1ccc(Br)cc1)NC(=O)NNc1ccc(Cl)c(Cl)c1 17729754 ZBUJPZIMJKADLA-UHFFFAOYSA-N 417.090 4.151 50 50 HIGA O=C(CCl)NC[C@@H](NC(=O)Cc1ccc(Cl)s1)c1ccc2ccccc2c1 1875386630 VTSHHFNVOXCMAE-QGZVFWFLSA-N 421.349 4.310 50 50 HIGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 5318965 UGDPABVTGKNLEX-MFKUBSTISA-N 414.465 4.488 50 50 HIGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2)cc1 731221 PLHCGDAHUOHZMI-WYMPLXKRSA-N 408.841 4.412 50 50 HIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813481 PDEXPMBANDMILQ-BHGWPJFGSA-N 400.885 4.434 50 50 HIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 707168 RQDMUDAABHUWJL-NRFANRHFSA-N 419.868 4.373 50 50 HIGA N#C/C(=C(/O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(O)c2ccccc2n1 20193593 LWWYUWHZUWDVLI-CYVLTUHYSA-N 400.350 4.453 50 50 HIGA O=C1c2ccccc2C(=O)N1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976887 WQIXBBDZDIYCHZ-UHFFFAOYSA-N 422.444 4.234 50 50 HIGA C/C(=N\NC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)cc1 19879268 ZGNKDPBKMNGCSY-HYARGMPZSA-N 402.292 4.017 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 919032 ZCTFGYYDVVZGDF-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccc(C)cc2)cc1Br 220956259 OTMSFONYHFRFJZ-LZYBPNLTSA-N 416.271 4.425 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)cc1 945994 SRGIFRFIHFWBHB-HZHRSRAPSA-N 409.559 4.145 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 3049913 NTKBNCRUJUIPPF-OEAKJJBVSA-N 423.266 4.432 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4209880 CJLCHTVWUJFSDI-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc(C(F)(F)F)c1 1430522 XXQQDOPKDHKZDX-OAHLLOKOSA-N 400.381 4.498 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 2529628 RVCMNTHCLKZGPA-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1sc2ccccc2c1Cl 4210694 ICPFPDIEEBBHST-UFFVCSGVSA-N 402.859 4.253 50 50 HIGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c(C)c1 6400360 BYEIYZADXYUOLH-UHFFFAOYSA-N 411.955 4.347 50 50 HIGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 2237915 LVPXLGVHWAMZOE-CPNJWEJPSA-N 415.449 4.347 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1OC 33330090 GTGSLBYYUGRVNP-YZSQISJMSA-N 419.525 4.468 50 50 HIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 4709170 JQTSRIDZPFFIMZ-GOSISDBHSA-N 410.430 4.100 50 50 HIGA N#CCCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccc(-c3ccccc3)cc2)n1 22109468 OQBQJJFYFJOVQZ-OGLMXYFKSA-N 420.476 4.290 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1OC 1436381 ZWZLBSMFUZMRKU-QFIPXVFZSA-N 401.466 4.009 50 50 HIGA O=C(CCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1681406 JQDRYFONUTVJNC-RNIAWFEPSA-N 419.312 4.154 50 50 HIGA COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 4365490 PAVZTKLISHBLBX-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Br)[nH]n2)cc1 5615664 DNUIZLUWRDGUNC-CIAFOILYSA-N 413.275 4.002 50 50 HIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl 2518583 FTIGBIHQPJWTTO-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2 1210517 QRISVVFLYTWCKJ-AFUMVMLFSA-N 410.433 4.032 50 50 HIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 2518538 ORUKZSGIVYJZNV-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CO[C@@H](C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 1208662 OTVCNONHBVPFNX-OTZYPNAKSA-N 410.477 4.377 50 50 HIGA O=C(NN=C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 1029918 YQCHRIVORYMDPF-UHFFFAOYSA-N 417.296 4.439 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Cl)cc1 731388 ICXXXIHSTVVCPP-DHRITJCHSA-N 423.856 4.117 50 50 HIGA CCCCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC 2746491 AJWXFISQMXMDFD-FQEVSTJZSA-N 418.449 4.199 50 50 HIGA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)OC(=O)[C@H]13 245231509 FEPCMSPFPMPWJK-STKLRNSNSA-N 400.515 4.212 50 50 HIGA biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1Br 1231121 RLNGMFSNLKADLP-SRZZPIQSSA-N 417.694 4.361 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)n[nH]2)cc1 6780445 VAUHKCNOXYBZBE-CIAFOILYSA-N 413.275 4.002 50 50 HIGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OCC)cc1OCC 17089847 WPUGDRSFUKIXCA-RVDMUPIBSA-N 414.483 4.268 50 50 HIGA BrC[C@@H](Br)CCC[C@H](Br)CBr 2170569 IBTSIHNNXNVYEC-BQBZGAKWSA-N 415.789 4.474 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(O)cc1 1194550 JVADUMWCQHIPAS-ZVHZXABRSA-N 416.506 4.033 50 50 HIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2543087 MRYDJJFTANEXCH-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA O=C(NNc1ccc2ccccc2n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 777464936 OZTUTTPZHIQUOT-UHFFFAOYSA-N 406.449 4.239 50 50 HIGA N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@H]1c1ccc(F)cc1 2835529 HZNHVFVCBRIYLH-INIZCTEOSA-N 415.877 4.190 50 50 HIGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 2901365 KCOVVTRICQRJQW-VKELSTCCSA-N 417.509 4.249 50 50 HIGA C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 4678129 YGGJKOACNOXBAL-ZROIWOOFSA-N 408.255 4.410 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1O 731225 FXQUHKSAQKEFRE-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 6142356 BEIKQFOBYHYVMM-XDJHFCHBSA-N 424.460 4.290 50 50 HIGA Cc1nn(C)c(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1Br 681594 PCWDYIFBMDGFCY-CIAFOILYSA-N 413.275 4.047 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1115911 OEXMSLOXYIZWKA-QHCPKHFHSA-N 422.444 4.281 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1Br 1474854 DDZZPYNNGGECLU-GIJQJNRQSA-N 406.330 4.301 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Cl 18115356 WVXNAAKNSSYKSN-FQEVSTJZSA-N 422.872 4.177 50 50 HIGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccs1 1782461 HCVPOOOZHSNVOR-RQZCQDPDSA-N 406.583 4.134 50 50 HIGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 855656 YLHKQNDRROJWFK-FSJBWODESA-N 407.426 4.309 50 50 HIGA COC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 220956067 ADDJSBBUZWXUHP-MKMNVTDBSA-N 420.234 4.256 50 50 HIGA O=C(NNc1nc(O)c2ccccc2n1)c1cc(-c2ccccc2)nc2ccccc12 758299908 YZGDDVNQQJWRKR-UHFFFAOYSA-N 407.433 4.308 50 50 HIGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1056349 YKKSASFLZPMOSZ-LJQANCHMSA-N 421.298 4.149 50 50 HIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 4230084 UTZKAGINNCTTRR-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OCC 718403 ZAZKLLSRKOQSMH-IBGZPJMESA-N 420.444 4.231 50 50 HIGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)c1 5297324 SAZRPLVRVVAUSX-MFKUBSTISA-N 414.465 4.401 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 1052180 BECQTJIJCFJVPX-MFKUBSTISA-N 404.466 4.355 50 50 HIGA CCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 2816631 NEDXUOOHYDGQAD-RQZCQDPDSA-N 406.118 4.338 50 50 HIGA O=C(CNc1cccc2ccccc12)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12 22109496 OWEUWKRRVRXYPM-DHRITJCHSA-N 414.421 4.169 50 50 HIGA COC(=O)c1ccc(Cl)cc1NC=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2049465215 ANQCNCQRQWYHRV-UHFFFAOYSA-N 411.266 4.031 50 50 HIGA COc1ccc2sc(NC(=O)/C(C#N)=C/c3ccc(Br)o3)nc2c1 4543023 GBCIJWYSAMJQOM-RMKNXTFCSA-N 404.245 4.206 50 50 HIGA CCOc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1O 1226759 JMZYRAHSDJXLGT-AZVXTCMLSA-N 400.478 4.247 50 50 HIGA CC(C)COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 3137968 SHSVDUXQSKPMQF-UHFFFAOYSA-N 418.365 4.145 50 50 HIGA Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)c1 12462790 CHVQLPXDNMOAQQ-SANMLTNESA-N 424.504 4.042 50 50 HIGA N#C/C(=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1 16347080 PAXWIPCTTAYBDV-NDENLUEZSA-N 410.407 4.105 50 50 HIGA CCc1ccc(NC(=O)NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 17082025 GSWSKMDZZSKTGS-LBPRGKRZSA-N 400.529 4.192 50 50 HIGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1F)c1cc(O)cc(O)c1 13321691 QANRCMSZLKDIBP-BHGWPJFGSA-N 414.820 4.233 50 50 HIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccncc1 4347391 CKRXVGYZXOTULE-WYMPLXKRSA-N 414.248 4.372 50 50 HIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3coc4ccccc4c3=O)cc2)cc1 4360629 OWWWLTJVODPWIN-VULFUBBASA-N 412.445 4.444 50 50 HIGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 4372533 VZDKXBIXWPNZKF-YZSQISJMSA-N 416.477 4.387 50 50 HIGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl 17083269 RHESMFDIYXQJEF-YRNVUSSQSA-N 405.819 4.032 50 50 HIGA Cc1cccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c1C 2794464 YCRRAMVIEUXGST-UHFFFAOYSA-N 415.412 4.172 50 50 HIGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2cccnc2)c1 13322055 PXOFEGWSADHILD-LQKURTRISA-N 424.460 4.347 50 50 HIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1 4372810 IEZXNGCYBCHWHB-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 1021362 SJUISULAMJAMNC-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 2841798 FZAWHHFNCLCWFV-HXUWFJFHSA-N 419.872 4.011 50 50 HIGA Cc1n[nH]c2c1[C@@H](c1cccc(OCc3c(F)cccc3Cl)c1)C(C#N)=C(N)O2 4997455 NIMQWRDPMIFOMS-IBGZPJMESA-N 410.836 4.308 50 50 HIGA CCOc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)ccc1O 1253918 BSPKBHZPECRYJE-PCLIKHOPSA-N 401.466 4.439 50 50 HIGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(F)cc1F 17092020 IOQKBGVJNAZPHH-UHFFFAOYSA-N 419.881 4.008 50 50 HIGA COc1ccc([C@H](Br)C(=O)OCC(Cl)(Cl)Cl)cc1OC 139493575 PPKJHJLORFAYPZ-JTQLQIEISA-N 406.487 4.053 50 50 HIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 845766 NHNWYCDDKTZHHX-IBGZPJMESA-N 405.410 4.306 50 50 HIGA CCCCOc1ccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)cc1 8671229 QHFPXBVJVRYINA-UHFFFAOYSA-N 422.554 4.210 50 50 HIGA Cn1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cn1 2764802 NDUCRURIETYJAX-LJQANCHMSA-N 407.905 4.014 50 50 HIGA CCOC(=O)[C@H](CC/C(CCl)=N\OCc1ccccc1)NC(=O)OC(C)(C)C 1384456070 DUOXYKZUGOXAKA-CSUZIONRSA-N 412.914 4.035 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(F)cc1 1132542 ZSTHFPUUZWIPHR-OAHLLOKOSA-N 411.234 4.196 50 50 HIGA O=C(CCBr)NC(=O)Oc1ccc2ccccc2c1Br 22341347 RSONQWSJCVGYHL-UHFFFAOYSA-N 401.054 4.002 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)n(Cc3ccccc3)c3ccccc23)[C@H]1c1ccccc1 6668183 YGYZKTDRKQWEQO-QFIPXVFZSA-N 405.457 4.268 50 50 HIGA CCNC(=S)NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 17091776 IICGDLFADZXQNL-UHFFFAOYSA-N 419.337 4.337 50 50 HIGA O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 4990016 ZKMLPTPHJSAUML-IWIPYMOSSA-N 411.421 4.211 50 50 HIGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1 1113819 JKLJZBKCCKJHSB-INIZCTEOSA-N 412.371 4.322 50 50 HIGA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]13 245231511 FEPCMSPFPMPWJK-WLBKKYLGSA-N 400.515 4.212 50 50 HIGA biogenic COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)c1O 5126185 PTEDXWCOHCDLLX-MFKUBSTISA-N 412.449 4.222 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1OC 6780454 SIZJWHAPAQPSNJ-MFKUBSTISA-N 414.465 4.401 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1 4360633 SMRHDOBKAYMXOI-MFKUBSTISA-N 404.466 4.355 50 50 HIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1 4258992 QQXHEDXRDDRWQO-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA Cc1[nH]nc2c1[C@H](c1cc(COc3ccc(F)cc3Cl)cs1)C(C#N)=C(N)O2 6459130 WNOSGTFDLDJOBU-KRWDZBQOSA-N 416.865 4.369 50 50 HIGA N#C[C@@H]1[C@@H](Br)[C@H](Br)c2ccccc2N1C(=O)c1ccccc1 230020137 HPICDMIZFLELMV-BZUAXINKSA-N 420.104 4.439 50 50 HIGA CCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 4372863 VCXZZZRBDQYWBT-CIAFOILYSA-N 405.292 4.026 50 50 HIGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3cncs3)cc2)c1 1875253875 LVAOCZAKCRZZTQ-UHFFFAOYSA-N 409.511 4.229 50 50 HIGA CC(C)c1ccc([C@H](CNC(=O)C2(C)Cc3ccccc3C2)NC(=O)CCl)cc1 1875386008 GYNDSKQLBFSTQH-NRFANRHFSA-N 412.961 4.127 50 50 HIGA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257355574 BKJFWXHLRIBAOQ-FGTFHBBTSA-N 403.390 4.289 50 50 HIGA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCC[C@@H]1CCSS1 263585579 KHGOZUNTPRGXME-XUVXKRRUSA-N 414.681 4.440 50 50 HIGA biogenic O=C(NC(NC(=O)c1ccc(Cl)cc1)C(Cl)Cl)c1ccc(Cl)cc1 820610 QOHAKCGFRIXGCX-UHFFFAOYSA-N 406.096 4.283 50 50 HIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Br)cc2)cc1 17093831 CKMMIFCDXQRBHA-UHFFFAOYSA-N 424.389 4.009 50 50 HIGA O=C(CCCCCCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 5734779 USQNUCNHNDJYHU-FQHZWJPGSA-N 406.530 4.408 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1 2747928 NNXQXLRCWLSJGH-ZVHZXABRSA-N 410.905 4.450 50 50 HIGA CCOC(=O)c1c(NC(=O)N/N=C/c2ccccc2Cl)sc(C(C)=O)c1C 945250 GPZBSDWHXRJQEB-AWQFTUOYSA-N 407.879 4.245 50 50 HIGA O=C(NN=C1CCC(=NNC(=O)c2ccccc2Cl)CC1)c1ccccc1Cl 827440 HEOOZNWDHXJRAE-UHFFFAOYSA-N 417.296 4.439 50 50 HIGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 1800498 FOXTTXQGRWWLBI-UHFFFAOYSA-N 412.530 4.155 50 50 HIGA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1n[nH]cc1-c1ccc(F)cc1 6413353 AXQQIVUTKCSJKE-DKZNWEEVSA-N 400.841 4.095 50 50 HIGA COc1ccc(Br)c(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)c1 1203192 MHGGHPDLVMXIRM-SSDVNMTOSA-N 419.319 4.419 50 50 HIGA CCCc1cc(C(=O)N/N=C/c2cc(OCC)c(O)cc2Br)cs1 17088785 RASSTULBBVBAQT-DJKKODMXSA-N 411.321 4.331 50 50 HIGA O=C(CCl)NC[C@H](NC(=O)Cc1ccc(Cl)s1)c1ccc2ccccc2c1 1875386629 VTSHHFNVOXCMAE-KRWDZBQOSA-N 421.349 4.310 50 50 HIGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCC 2506277 LWOROOLUAOOWBN-FYJGNVAPSA-N 403.276 4.177 50 50 HIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 17015249 GBLAPGNREOKVDI-ZVBGSRNCSA-N 421.657 4.396 50 50 HIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Cl 2521677 CECBVYNSCQXWHP-SRZZPIQSSA-N 423.694 4.196 50 50 HIGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1 2907172 JSQHKBDZAZUTRP-RGVLZGJSSA-N 422.266 4.058 50 50 HIGA CCNC(=S)NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17091777 VSYKGBRSDZRGMD-UHFFFAOYSA-N 419.337 4.337 50 50 HIGA CCOc1ccc(/C(CC)=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 5351371 ZWSARHWCOZZENS-HKOYGPOVSA-N 422.485 4.037 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(OC(=O)c2ccco2)c1 709629 LNJANZHSCDIFSE-IBGZPJMESA-N 424.416 4.107 50 50 HIGA Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(I)o1 6860453 AVPBXTATONYLDN-POHAHGRESA-N 412.614 4.392 50 50 HIGA C[C@@H](Sc1cc2c(cc1Cl)OCCO2)C(=O)C(C#N)=C1Nc2ccccc2N1 170620567 YIYPJUJRWCGEEF-LLVKDONJSA-N 413.886 4.434 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccccc1Cl 2565256 HKORBWCVILUUHH-ZMOGYAJESA-N 424.840 4.037 50 50 HIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1sc2ccccc2c1Cl 5526568 UWOPQTRTGCFUQO-UFFVCSGVSA-N 404.875 4.344 50 50 HIGA CCc1ccc2c(Cl)c(C(=O)N/N=C3\C(=O)Nc4ccc(F)cc43)sc2c1 17082286 JGJLUURPDKBIBT-UHFFFAOYSA-N 401.850 4.342 50 50 HIGA CSc1oc(CC#N)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855276 ZVYUVQMKCHNAPI-UHFFFAOYSA-N 415.478 4.082 50 50 HIGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1O 102291704 XEHQYEAPKCTVEP-KOEQRZSOSA-N 419.566 4.365 50 50 HIGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)ccc1Cl 2530447 CYOHUBIMYQBLGZ-GZIVZEMBSA-N 404.175 4.101 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)ccc1O 712086 FXEKESYAWNJFKI-AFUMVMLFSA-N 401.466 4.075 50 50 HIGA CCNC(=S)NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12 2112773 SYZPRDBGGFOLFD-UHFFFAOYSA-N 406.555 4.462 50 50 HIGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 6253959 PTDWVCQGLFJAHK-CYVLTUHYSA-N 414.509 4.328 50 50 HIGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)Nc1cccc(C)c1C 6253221 ARNULYLCKWIPDB-UHFFFAOYSA-N 405.951 4.442 50 50 HIGA COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1COc1ccc(C)cc1 15933934 OEXRHNGVSPPFHR-MFKUBSTISA-N 404.466 4.355 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2530390 GHAIRXFELYULOT-WSDLNYQXSA-N 408.285 4.261 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(-c2ccccc2)cc1 753424 BRTBDVWXDLDZGA-OAQYLSRUSA-N 404.425 4.495 50 50 HIGA N#C[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)C(Cl)Cl 1857800309 SOVYKPSXSAORHG-LBPRGKRZSA-N 418.074 4.047 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(O)c1 1193508 VTWCGNSBXVSNAD-ZVHZXABRSA-N 416.506 4.033 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nc2ccccc21 1193246 YDPJDLYLTXBHBY-RGVLZGJSSA-N 417.332 4.061 50 50 HIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4282834 YBMOJECFXAEZNJ-CVKSISIWSA-N 420.440 4.136 50 50 HIGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Nc1cccc(Cl)c1Cl 5041530 IUONDCMJYMUMAM-LLVKDONJSA-N 408.285 4.102 50 50 HIGA O=C(CCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 605984 XDJPQOUDGROSEU-UHFFFAOYSA-N 422.872 4.221 50 50 HIGA in-vitro Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2518485 KNRPVLHCIQKLIT-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 4282283 QIOBWQRBBOGRBC-WGOQTCKBSA-N 417.465 4.244 50 50 HIGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1056346 YKKSASFLZPMOSZ-IBGZPJMESA-N 421.298 4.149 50 50 HIGA COC(=O)Nc1ccc2c(c1)N(C(=O)[C@H](C)Br)c1ccccc1CC2 22340945 UUBHARKIGLXZRH-LBPRGKRZSA-N 403.276 4.412 50 50 HIGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccncc2)c1 13322090 XKOKHDLQFKXFNU-LQKURTRISA-N 424.460 4.347 50 50 HIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OCC 717397 PKTJKPIKYAXGBY-KRWDZBQOSA-N 408.483 4.154 50 50 HIGA CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9089390 WQJYYABRUGGTLF-CYBMUJFWSA-N 413.326 4.409 50 50 HIGA O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1)c1cc(O)cc(O)c1 13321595 SNGLKMIPQOUVRD-BHGWPJFGSA-N 414.820 4.233 50 50 HIGA C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 12343153 IULYRLSVWWSJLR-XDHOZWIPSA-N 422.304 4.131 50 50 HIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CC[C@H](n1cnc3c(O)nc(N)nc31)S2 169836017 ZEMORXRSJCJWKH-VLXJIEOASA-N 421.643 4.453 50 50 HIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc3c(s2)C[C@H](C)CC3)cc1OC 13321874 LBOPUJVVOGAZBG-LFWZTCNZSA-N 424.526 4.044 50 50 HIGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1c(C(F)(F)F)cccc1C(F)(F)F 16677406 ZNFLQDSTMICACA-HCGXMYGOSA-N 421.253 4.102 50 50 HIGA COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 100194991 VBMBPIVKAREJEQ-MLPAPPSSSA-N 407.271 4.466 50 50 HIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)c(OC)c1 102295352 ZFMLKAUQFYXABX-KOEQRZSOSA-N 419.566 4.191 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1 2542710 GFHUWDHXQUEQLP-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cc4ccccc4[nH]c3=O)cc2)cc1 4229235 OINFZLDNBYEGTQ-CVKSISIWSA-N 411.461 4.179 50 50 HIGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2 17093887 MAERNEBTQVRVNY-VULFUBBASA-N 424.460 4.091 50 50 HIGA C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 4867505 VUVYABJNVIKQPT-SXGWCWSVSA-N 412.239 4.232 50 50 HIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccccc2)cc1 730148 JBPFJPHSVFEWFW-OEAKJJBVSA-N 417.494 4.078 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1C 823003 HHXKNASHHYHRCD-AOMKIAJQSA-N 416.477 4.221 50 50 HIGA CCc1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353379 SXUQOXLTZLBHSZ-MFKUBSTISA-N 412.497 4.206 50 50 HIGA COc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1Cl 252679877 SLFDVNXJAVAGJJ-UHFFFAOYSA-N 404.850 4.426 50 50 HIGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]2C1 33880771 VZASTQWZNFOZOM-AEFFLSMTSA-N 412.324 4.127 50 50 HIGA CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Cl)cc2)sc(C(C)=O)c1C 945252 DMONMMYRDCJPDN-AWQFTUOYSA-N 407.879 4.245 50 50 HIGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(C)cc1 2597724 NKNMJXBOYMSIBV-MFKUBSTISA-N 402.450 4.295 50 50 HIGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402908 SYGZCOGAHMAJSV-KEBDBYFISA-N 403.667 4.257 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccc(Cl)cc1 32540524 OHGVDXMKFQVLGJ-HXUWFJFHSA-N 422.872 4.177 50 50 HIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 5295361 NHEIJNONKGGKBQ-KEBDBYFISA-N 403.667 4.257 50 50 HIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(C)c(C)c1 17082317 LSOSZVRVPPGQHH-XWAFYUISSA-N 402.130 4.040 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1115640 UOIAVAYCDHITNB-JOCHJYFZSA-N 423.432 4.460 50 50 HIGA Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 13520438 GDTPBAGVBNUPAY-BKUYFWCQSA-N 413.477 4.324 50 50 HIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1 2077172 DUSBRUYXQKVZRA-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA Br[C@@H]1C[C@]23C=CC4(C[C@]2(CC=CC3)C[C@H]1Br)OCCO4 257355630 BTQRQVYPQFPFPX-KBXIAJHMSA-N 404.142 4.333 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521231 PISWJWKILBQKEE-QBLBRXERSA-N 414.461 4.386 50 50 HIGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1O 15745654 JCOBQNLZENHMPJ-WZUFQYTHSA-N 407.651 4.362 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C1CC(C)(C)CC2=O 1080314 XGLSZHILZYGMHB-INIZCTEOSA-N 405.329 4.206 50 50 HIGA Cn1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cn1 2764801 NDUCRURIETYJAX-IBGZPJMESA-N 407.905 4.014 50 50 HIGA O=C(CSCc1ccccc1)NNC(=S)Nc1cc(Cl)ccc1Cl 6529655 ZGMFDPPGDUUGIE-UHFFFAOYSA-N 400.356 4.244 50 50 HIGA CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@]3(C)CC3(Cl)Cl)o2)cc1 2089553 ZXPYKJLMKCTFMI-WVCJYUAVSA-N 409.269 4.157 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Br)s1 2229268 GVUVPFCKEBYFII-FRKPEAEDSA-N 412.359 4.363 50 50 HIGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 685955 HSGKSHNJOJLCLM-OAQYLSRUSA-N 400.482 4.031 50 50 HIGA Cc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)s1 1227850 KZSPUFVOHCBECJ-OMCISZLKSA-N 418.110 4.051 50 50 HIGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2ccccc2cc1O 825006 ISYDQXPLWDHLSC-YDZHTSKRSA-N 401.378 4.478 50 50 HIGA CCOc1ccc(OCC)c([C@H]2[C@H]3CCCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19299995 DRMYADUFVVNMOX-PGRDOPGGSA-N 402.498 4.468 50 50 HIGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1097783 YUAKYKDASKWKSY-SFHVURJKSA-N 414.465 4.145 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(O)c1 1814772 FGOJXROKMBPAQJ-CIAFOILYSA-N 414.556 4.091 50 50 HIGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 2543063 GBOKVHWLMHHAIK-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1ccc(Br)s1 1234650 QNBXXQPAJGYGIL-VCHYOVAHSA-N 401.713 4.392 50 50 HIGA N#CCCCN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 1898673 IMZUIVRXXWYIBM-MOHJPFBDSA-N 422.897 4.339 50 50 HIGA COc1cc(Br)c(C[C@H](Br)CBr)cc1OC 2167712 MLDDYHMCHZRKRN-QMMMGPOBSA-N 416.935 4.167 50 50 HIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)c1 2542757 QHFKLVAGANMQIC-CVKSISIWSA-N 416.477 4.360 50 50 HIGA COc1ccccc1NC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Br)cc1 4467518 ARSFLOAKLJXVMN-UVTDQMKNSA-N 423.270 4.393 50 50 HIGA CC(C)c1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(O)c(C(C)C)c1 1005693 ODQNECSQRPQHEZ-LSFURLLWSA-N 413.430 4.040 50 50 HIGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1 1113816 JKLJZBKCCKJHSB-MRXNPFEDSA-N 412.371 4.322 50 50 HIGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccoc2C)c1 5796350 WVQAVMWBXIYCQR-YZSQISJMSA-N 419.481 4.376 50 50 HIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Br)cc2)[nH]n1 8569392 HJBSKQHIXXBTIM-CIAFOILYSA-N 413.275 4.002 50 50 HIGA COC(=O)/C(C#N)=C/c1ccc(OC)c(CSc2nc(C)cc(C(F)F)n2)c1 20353457 XHFDYNXHXSUVIC-NTUHNPAUSA-N 405.426 4.104 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 43761084 XROYUKKQSRDZKQ-AFUMVMLFSA-N 422.868 4.470 50 50 HIGA O=C1OC(=O)[C@@H]2C[C@@H]3[C@H](C[C@H]12)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 216213851 WGLYADVYCJUFAY-PWMQEEQBSA-N 424.922 4.174 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)n(-c3ccccc3)n2)cc1 5514007 YTDMUTMAVHHIDW-PCLIKHOPSA-N 412.449 4.017 50 50 HIGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1 2383763 LXHIYEOZRZGPEV-GZIVZEMBSA-N 404.175 4.101 50 50 HIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2760924 YTQSCOVNDLJJEZ-QGMBQPNBSA-N 404.791 4.135 50 50 HIGA COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1208259 HFZYVNYTVGQQBP-CVKSISIWSA-N 414.440 4.451 50 50 HIGA CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC(=O)NNC(=O)Nc1ccccc1 245254055 ZTDCFTYTBMWFAT-GGILJOMBSA-N 401.551 4.223 50 50 HIGA C/C(CCc1ccccc1)=N\NC(=O)CCC(=O)N/N=C(\C)CCc1ccccc1 4595224 IQDPNVPCFIRHNY-FQHZWJPGSA-N 406.530 4.016 50 50 HIGA Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc1)C2 3093612 AVFUQJUBQAADQP-LGJNPRDNSA-N 413.477 4.286 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccccc1 2585058 JRAVHXKLSHNXPQ-MFKUBSTISA-N 406.413 4.208 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C\c3cccnc3)c3ccccc3n2)c(OC)c1 32566508 ZIKXBRICBNAKKS-YSMPRRRNSA-N 412.449 4.078 50 50 HIGA C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2cccs2)cc1)c1cccs1 4610918 UBRXMMUDAFZLDH-JFMUQQRKSA-N 410.524 4.118 50 50 HIGA CC[Si](CC)(CC)O[C@@H](COCOCC[Si](C)(C)C)CC(=O)N(C)OC 169834444 NFLVQLIZCRQNTE-QGZVFWFLSA-N 407.700 4.116 50 50 HIGA Cc1nnc(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)n1-c1ccccc1 1211033 CAIPVGYSPZBOQS-UFFVCSGVSA-N 420.325 4.125 50 50 HIGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OCc1ccccc1 2506241 FGYFOGIBHCCRKV-CVKSISIWSA-N 418.493 4.420 50 50 HIGA COc1ccc(CN2CCC(NC(=O)CCCC[C@H]3CCSS3)CC2)cc1 888103909 JIWSEQPAKLENJQ-FQEVSTJZSA-N 408.633 4.490 50 50 HIGA C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1=O 169833487 BLERLCQTJYZOQN-HXUWFJFHSA-N 408.614 4.463 50 50 HIGA C[C@@H](C(=O)NN=C/C=C/c1ccccc1)n1c(-c2ccccc2)nc2ccccc2c1=O 245391985 TUTIJBRWJFIJNI-CBJSZLNCSA-N 422.488 4.440 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1 2543232 BWELLTKKSLQMFD-MFKUBSTISA-N 406.413 4.208 50 50 HIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 2584783 JUTCZDXWYLYABD-WYMPLXKRSA-N 422.824 4.052 50 50 HIGA COc1cccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c1 9014537 PXQKANMSXKUREX-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1F 1477613 PBCHTHJIWIGLPD-KEBDBYFISA-N 418.544 4.212 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 4981917 GOMKDBGHMMSEGC-BUVRLJJBSA-N 422.485 4.037 50 50 HIGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)ccc1O 9012532 ADFXBWFWWSOPEM-BUVRLJJBSA-N 406.486 4.143 50 50 HIGA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Br)o2)o1 676200 DNKRSRKIIHVOQG-DJKKODMXSA-N 418.203 4.283 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 1681011 UIYVOUDXHRERGA-WZGDJCGDSA-N 408.550 4.046 50 50 HIGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)c(Cl)nc2c1 4282339 AUAWWZJGDZSPPN-AUEPDCJTSA-N 415.280 4.247 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2584816 DXNNYIRYPKLEIX-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCC(=O)NC(/C(C#N)=C1\NC(C)(C)Cc2ccccc21)(C(F)(F)F)C(F)(F)F 2872435 DATDCNWJODCYKW-SQFISAMPSA-N 419.369 4.235 50 50 HIGA N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1ccco1 9087901 PZBPLNVKTUWMTK-NSHDSACASA-N 421.400 4.009 50 50 HIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2543103 UFSVLOVGBONVDS-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA C/C(=N\OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccc(Br)cc1 5073587 HVUUPAXPVQPLOY-WYMPLXKRSA-N 411.259 4.032 50 50 HIGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(CC)nc1C 17082001 RJYZUXOQVBLZEX-ZSOIEALJSA-N 400.504 4.119 50 50 HIGA CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C 2506248 JJJKBCZPJZZTTI-WSDLNYQXSA-N 419.319 4.384 50 50 HIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 2513470 HBGCJCSYELNORQ-WYMPLXKRSA-N 408.841 4.412 50 50 HIGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229160 BIWATLXIPCQLLH-TVSCDJBNSA-N 418.280 4.143 50 50 HIGA Cc1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C 731954 UVJHTTXEZSPGJT-XSFVSMFZSA-N 400.482 4.154 50 50 HIGA Cc1cc2c3c(c1C)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 814354 YWOLAHMVVJUZAZ-SHZVTRLKSA-N 415.493 4.014 50 50 HIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4229720 JQGRQCLUHNTVNU-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA COc1cccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c1 17089456 VEYFMYNYQOVTEE-WSDLNYQXSA-N 413.271 4.140 50 50 HIGA CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500154 YDPHCPYUXBKCBQ-WMKCGOMXSA-N 409.364 4.212 50 50 HIGA biogenic COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1CSc1nc2ccccc2s1 1212983 ALGNKHKZIWGBBI-SSDVNMTOSA-N 423.523 4.084 50 50 HIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2387539 KNTZVFXMTKMUMK-IFRROFPPSA-N 405.068 4.389 50 50 HIGA O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1COc2ccccc2O1 1226695 HRAQVNGFIUTOSB-SXPOYZCRSA-N 416.355 4.256 50 50 HIGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)Nc1ccc(SC)cc1 755634 HGCDQRXJGNTXCH-HXUWFJFHSA-N 407.495 4.137 50 50 HIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc2ccccc12 4283520 GNNZWEKKFGHCRO-BHGWPJFGSA-N 400.265 4.027 50 50 HIGA CCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 334160729 LECYFGWJKFRQOU-FYJGNVAPSA-N 403.276 4.309 50 50 HIGA Cc1cc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)c(C)n1C1CC1 1875386157 KJJBAQNAISOCRZ-JOCHJYFZSA-N 423.944 4.419 50 50 HIGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(Cl)c1 4047827 CUEPVFJOTGBFNZ-KEBDBYFISA-N 404.948 4.258 50 50 HIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc[n+](Cc2ccccc2)c1 1203610 PTTXWOFQODPDGI-MTDXEUNCSA-O 422.508 4.365 50 50 HIGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)c(OC)c1 716433 OBZOOKHPAKQGNT-HXUWFJFHSA-N 407.495 4.070 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Br)cc1 1054335 ZCGIRQXNTDZBRB-GIJQJNRQSA-N 406.330 4.301 50 50 HIGA CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551246 VBCPYLFLSHYCIC-UHFFFAOYSA-N 415.534 4.019 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2)C2=C1C[C@H](c1ccccc1)CC2=O 691478 KSYLSISYDDSVNN-JTSKRJEESA-N 418.928 4.310 50 50 HIGA O=C1OC(=O)[C@@H]2C[C@@H]3[C@@H](C[C@H]12)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 105146233 WGLYADVYCJUFAY-ROQMVKOGSA-N 424.922 4.174 50 50 HIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1 2077362 XUMBJWMFSYNHEB-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c(Cl)nc2c1 4260819 SZFDFGJWMRLUNT-AUEPDCJTSA-N 415.280 4.247 50 50 HIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4259947 NTTIJQXLZCAKDU-WSDLNYQXSA-N 414.870 4.150 50 50 HIGA COc1ccc2c(c1)CCc1cc(C(=O)NCCSSCCC(=O)O)sc1-2 1875388980 XDCDBSMPJOMJQU-UHFFFAOYSA-N 423.581 4.108 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 4372846 AQICGSVMUUJWTE-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1 4230301 QKWFISMZZNNCLP-AFUMVMLFSA-N 407.857 4.012 50 50 HIGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(Cl)c(Cl)c1 6529658 SDPVCVQREPUPTF-UHFFFAOYSA-N 400.356 4.244 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1 9110680 JZDKVHWOXMAQOP-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA Br[C@H]1C[C@@]23CC=CC[C@]2(C=CC2(C3)OCCO2)C[C@H]1Br 101004331 BTQRQVYPQFPFPX-CBBWQLFWSA-N 404.142 4.333 50 50 HIGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 3166811 GUSVTWMEVWVLON-LEBHPONQSA-N 404.466 4.192 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCCCCCCCC3)cc1 5319076 DELWILBZUFWLPH-LFVJCYFKSA-N 410.518 4.180 50 50 HIGA CCCCOc1cccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)c1 8677688 MCPNSUCBWMFJCD-UHFFFAOYSA-N 422.554 4.210 50 50 HIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccn(Cc2ccccc2F)n1 4210436 ISPBCXGJXZTSDL-WYMPLXKRSA-N 407.836 4.036 50 50 HIGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 4355274 OLLDEMZQNMHLEA-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)[nH]n2)cc1 4675161 JRCSECJJWAIUSU-KOEQRZSOSA-N 419.529 4.476 50 50 HIGA CC1(C)CC(=O)C=C(NNC(=O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)C1 252427733 DLQPYUGIFKAABP-CVKIWWORSA-N 404.595 4.264 50 50 HIGA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257355576 BKJFWXHLRIBAOQ-JELWBRQBSA-N 403.390 4.289 50 50 HIGA COC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 5059672 MTCGNLMMVIHYFI-SFHVURJKSA-N 416.930 4.311 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 690998 MUHSQUVXMCFMFN-OPAMFIHVSA-N 418.928 4.310 50 50 HIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1 2521139 GECAVQXNSLXIDG-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1F 1248147 FGLBAUWQYQBCSO-UFWORHAWSA-N 424.320 4.440 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2521931 KNQAWEYSOWGLEQ-WSDLNYQXSA-N 408.285 4.261 50 50 HIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 4282107 KUVJXUFLMLGDMR-WGOQTCKBSA-N 411.461 4.481 50 50 HIGA Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)c(C)c1 1137382 CAPZCJDQEAHDHV-GOSISDBHSA-N 423.513 4.462 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2543015 PXQVRHXRMFXKDJ-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1O 731264 GMNWVSNESQEXJV-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccnc3)nc3ccccc32)cc1 1241492 PHBGZYDZTFLHIG-AFUMVMLFSA-N 415.522 4.030 50 50 HIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4282574 MMYKEEZHTOZXQW-WYMPLXKRSA-N 422.312 4.052 50 50 HIGA N#CC1=C(N)Oc2c(/C=N\c3ccccc3)ccc(O)c2[C@H]1c1cccc([N+](=O)[O-])c1 12375818 OBWKMZMGHCDSOA-ZASBYKKMSA-N 412.405 4.269 50 50 HIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1Br 102293778 PAQIAOURVPRBAA-HYARGMPZSA-N 410.356 4.156 50 50 HIGA COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OC 16195144 AAXCILSWCDIEBR-CHHVJCJISA-N 416.218 4.244 50 50 HIGA CC1=[N+](Cc2ccccc2)[B-](c2ccccc2)(c2ccccc2)N[C@H](C(Cl)Cl)C1 1776111198 FXZFFSOOELOYJF-QHCPKHFHSA-N 423.196 4.082 50 50 HIGA COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1OC 1229939 NAHWSJZPEJQJBO-WATSXHCISA-N 400.478 4.160 50 50 HIGA CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=S)NCc3ccccc3)csc2C1 2731750 LAFHIMPMYIAGOW-HNNXBMFYSA-N 401.601 4.208 50 50 HIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 4229946 OSSRUOJZOYUMAX-AFUMVMLFSA-N 407.857 4.012 50 50 HIGA CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)OC 16319750 KVJPCBWQKNQBSD-NVNXTCNLSA-N 416.817 4.263 50 50 HIGA Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12 13813291 RNSLRQNDXRSASX-UHFFFAOYSA-N 408.293 4.251 50 50 HIGA biogenic,in-vitro Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 2529605 FRMARLXYMXUMKW-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19860496 HDRVKWMIYVUCKZ-JRVGGCGHSA-N 405.448 4.446 50 50 HIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1OC 102295223 CMUVYFWQWRZSJA-KOEQRZSOSA-N 419.566 4.191 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OCc1ccccc1 6186874 SCOLJKQUZVEOQE-ZVHZXABRSA-N 406.486 4.059 50 50 HIGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1cccc(NC(=O)c2csc(C)c2C)c1 17093591 CRRMELLIQGVYRS-CFRMEGHHSA-N 423.494 4.182 50 50 HIGA C/C(=N\NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(-n2ccnc2)cc1 20352274 KCDLIQGTHWVOTF-GZPJKGAFSA-N 410.905 4.450 50 50 HIGA Cc1c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)sc2ccccc12 1446005 FMPSJNBZRBONNA-LJQANCHMSA-N 406.555 4.423 50 50 HIGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 830870 VJAIXIUNISTFDY-MFKUBSTISA-N 422.868 4.261 50 50 HIGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1ccc(-n2cccc2)cc1 2856050 UXGPDDNEMFBNOQ-UHFFFAOYSA-N 404.417 4.128 50 50 HIGA O=C(CCCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 4527691 ORRVZWPSPNYNPN-RNIAWFEPSA-N 419.312 4.154 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1 799159 FNMBZVNPNOIYMJ-PCLIKHOPSA-N 401.466 4.352 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 4372721 DSIQXWWVDHYIPE-FYJGNVAPSA-N 405.292 4.157 50 50 HIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccn3)nc3ccccc32)cc1 13282367 VXDSGGMZKNJXSO-AFUMVMLFSA-N 415.522 4.030 50 50 HIGA O=C(CCl)NC[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875383305 OEIXNULLXTVIOJ-YADHBBJMSA-N 406.913 4.082 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)ccc1O 731206 QQBNJWQOZIUHRS-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA C/C(=N\NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(-n2ccnc2)cc1 20352276 KCDLIQGTHWVOTF-XUANBZSPSA-N 410.905 4.450 50 50 HIGA Cc1cc2c3c(c1C)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 814352 YWOLAHMVVJUZAZ-YMXBGEKHSA-N 415.493 4.014 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(F)c1 863832 WOEYBWLDXXXKMM-AFUMVMLFSA-N 418.497 4.466 50 50 HIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2532034 YCHPYBBXSOUUPA-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA O=C(NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 22339284 DTEMMTRQZJSSLH-HXUWFJFHSA-N 405.885 4.499 50 50 HIGA Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)o1 1206456 OAQALWDNNXVYDU-DJKKODMXSA-N 418.203 4.283 50 50 HIGA Nc1c(Br)cc(Br)cc1C(=O)N/N=C/C=C/c1ccccc1 4231462 HOKWHBAWKJUHHR-RHYRJLECSA-N 423.108 4.223 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)cc1OC 5350050 PUTYSMHCKSNSON-MFKUBSTISA-N 414.465 4.401 50 50 HIGA CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)NNC(=S)NCCc1ccc(Cl)c(Cl)c1 1875319609 KFHFDDAQVLGOGG-XEZPLFJOSA-N 414.402 4.104 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 1080312 QCBLRIYTCZUSSC-KRWDZBQOSA-N 405.329 4.206 50 50 HIGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1243832 TYXLYOPBAXVSRC-OAQYLSRUSA-N 416.481 4.060 50 50 HIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3Cl)c2)cc1 2553774 SZIIIXPZISISFS-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA COc1cccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 2542483 OKIBGVDZZSYMSA-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1 648852 CUCUPXSTNOPBNQ-FQEVSTJZSA-N 422.872 4.177 50 50 HIGA N#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 1211416 ZOWNYDKVDUOKRC-UVTDQMKNSA-N 405.255 4.473 50 50 HIGA Br[C@H]1C[C@]23CC=CC[C@]2(C=CC2(C3)OCCO2)C[C@H]1Br 257355631 BTQRQVYPQFPFPX-QPSCCSFWSA-N 404.142 4.333 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584702 CGXXUCPTLFOUCH-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1cc(CN2CCC(NC(=O)C3CCCCC3)CC2)ccc1OCCCCl 225420016 XPISOTHBMFJNRJ-UHFFFAOYSA-N 422.997 4.364 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccccc1 2356147 KIDMUDXWTFWYMQ-BUVRLJJBSA-N 415.522 4.361 50 50 HIGA CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21 5248231 JVGJDTSEBGTTPW-VYIQYICTSA-N 406.445 4.012 50 50 HIGA CC(C)(C)[Si](OCCCI)(c1ccccc1)c1ccccc1 169834287 NUQCCJCVGGTDJG-UHFFFAOYSA-N 424.398 4.388 50 50 HIGA CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1O 1182418 HZJBXZUTCZNBTE-BPKVKKHESA-N 415.287 4.338 50 50 HIGA O=C1[C@H]2CC[C@@H](C2)C2(OOC3(OO2)[C@H]2CC[C@@H](C2)C(=O)[C@H]2CC[C@H]3C2)[C@H]2CC[C@H]1C2 257357959 QZMLSYPMMJPRNC-QFHQRVFTSA-N 416.514 4.120 50 50 HIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1O 5297041 IPQWNASPAUBCQO-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(-c2ccccc2)cc1 100406066 BRTBDVWXDLDZGA-NRFANRHFSA-N 404.425 4.495 50 50 HIGA CC(C)CC[C@H](C(=O)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2)C(=O)N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2 245239138 FRALZQPNMRYQIN-PLWHAKLASA-N 414.594 4.115 50 50 HIGA Cc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1068070 MPASULSDFXCWIB-GOSISDBHSA-N 412.428 4.133 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C1CC(C)(C)CC2=O 1080315 XGLSZHILZYGMHB-MRXNPFEDSA-N 405.329 4.206 50 50 HIGA CC/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(Cl)c1 17093217 OOCDGQREPIZYSV-FHXOWUIVSA-N 422.548 4.466 50 50 HIGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1c(O)ccc2ccccc12 1947002 FBYWRNMCMGZUEM-ZMOGYAJESA-N 409.873 4.376 50 50 HIGA COc1ccc(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 5756169 AQPVAEUGPVRQSI-OVVQPSECSA-N 415.493 4.339 50 50 HIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(C)cc1C 15934334 PMWAENXKVPHDLY-BGARDKSCSA-N 402.130 4.040 50 50 HIGA CC(C)c1cc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c(C(C)C)c1 5041206 ZIDUHWLLMWBKPL-UHFFFAOYSA-N 400.435 4.014 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccccc2F)cc1COc1ccc(F)cc1F 32578307 QEDMPKZKIAYWOT-ZRGSRPPYSA-N 414.383 4.455 50 50 HIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2518550 CKQXNPBCIDJBNQ-IFRROFPPSA-N 405.068 4.389 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)cc1 4956123 BQYPCMWPJAGFHC-DEDYPNTBSA-N 407.333 4.231 50 50 HIGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NNC(=O)Nc3ccccc3)[C@@](C)(O)CC[C@H]12 245254054 ZTDCFTYTBMWFAT-FKKSXTGDSA-N 401.551 4.223 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690804 JSZBOZOPINBCGY-VGOFRKELSA-N 418.928 4.310 50 50 HIGA COc1ccccc1[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)Nc1ccc(SC)cc1 755633 HGCDQRXJGNTXCH-FQEVSTJZSA-N 407.495 4.137 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 4366285 UDPRKYIOKPJGLY-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499713 MSDUIUROIVNMLS-CLWPLKITSA-N 411.380 4.292 50 50 HIGA biogenic CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4229821 AJAHIAIFLHXCHV-WGOQTCKBSA-N 416.477 4.306 50 50 HIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(O)cc2O)cc1 43761090 RDEVIFTTYZWBOM-AFUMVMLFSA-N 412.449 4.023 50 50 HIGA COc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 731357 MALXMDATLIKYDT-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210773 IEZOGSVEEFWVFH-HNJVETBBSA-N 414.461 4.468 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 5588282 RQHSIWBVQBVLSX-OAQYLSRUSA-N 400.438 4.208 50 50 HIGA CC(C)(C)c1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(C(C)(C)C)c1O 1881479 VUMMDPVTKSMCCS-HMHIXTCJSA-N 410.514 4.277 50 50 HIGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 4327593 GDHIRGKEDCSBRD-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA C/C(=N/NC(=O)c1csc2ccccc12)c1cccc(NC(=O)c2ccnn2C)c1 5829033 ATLJQUNIIZWAKT-QFEZKATASA-N 417.494 4.041 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(F)cc1F 1775976027 IHEGKVHBPFQQNR-OAQYLSRUSA-N 404.372 4.402 50 50 HIGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=S)NCc3ccccc3)csc2C1 2731751 LAFHIMPMYIAGOW-OAHLLOKOSA-N 401.601 4.208 50 50 HIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 5297102 WOSCKJMNJVOJKQ-MFKUBSTISA-N 413.481 4.068 50 50 HIGA CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 17093725 AWPSCDWDOHFPRO-CVKSISIWSA-N 423.904 4.087 50 50 HIGA O=C(COc1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl 1054436 FMLOGINVRMIRMP-UFWORHAWSA-N 402.075 4.285 50 50 HIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 13922160 BXKZTOAIUGKQJN-IFRROFPPSA-N 405.068 4.389 50 50 HIGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(Br)cc1 5296851 QPUVQNRCRZSIPT-WSDLNYQXSA-N 409.287 4.092 50 50 HIGA O=C(CSCc1cccc(Cl)c1)NNC(=O)Nc1ccccc1C(F)(F)F 17091243 FNMRPLXELBQADW-UHFFFAOYSA-N 417.840 4.445 50 50 HIGA COc1ccc(C)cc1NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1C 6400494 HOHCDOXNXHYEFP-UHFFFAOYSA-N 421.950 4.142 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(OC(=O)c2ccco2)c1 709628 LNJANZHSCDIFSE-LJQANCHMSA-N 424.416 4.107 50 50 HIGA CCOc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1O 1248271 ZVMCWZDFLFRKMF-PCLIKHOPSA-N 401.466 4.439 50 50 HIGA Cc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(C)o2)o1 4997522 HRGLNGFNPXOJCB-DFEHQXHXSA-N 414.506 4.211 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)cc1 9031662 YCAVDDOSPHQYQO-AREMUKBSSA-N 424.504 4.042 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)o1 755618 NCBOFDZYHKZASW-KPZWWZAWSA-N 411.255 4.251 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccc(C)cc1 5353599 FJRWXAGRBYTYKB-PCLIKHOPSA-N 412.497 4.342 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1 2584965 MHFYYWQXJBKYSJ-OEAKJJBVSA-N 423.266 4.432 50 50 HIGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2674406 OHJMWYKQFCPDAB-JZCUADNKSA-N 422.868 4.477 50 50 HIGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2518547 UKEKKAJLMVWPBH-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCc1ccccc1 13940620 CPILICKJALBYDF-HMAPJEAMSA-N 412.445 4.187 50 50 HIGA CCn1cc(Br)c(/C(C)=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 17087638 PTIDNNYTZGPHFF-MTJSOVHGSA-N 407.356 4.112 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Cl)cc1 2584759 KHEVGFDCBMHILN-AFUMVMLFSA-N 423.856 4.117 50 50 HIGA CCCc1ccc(OCc2ccc(C(=O)NNC(=O)Nc3ccc(F)cc3)o2)cc1 17088836 SSFZZUKJFWTIBR-UHFFFAOYSA-N 411.433 4.417 50 50 HIGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc12 793959 XAEPJWKWBAUOKP-CIAFOILYSA-N 405.439 4.068 50 50 HIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1I 2885760 LXJVSRDNVZDUDR-QGMBQPNBSA-N 419.049 4.362 50 50 HIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 713360 DREOQBDBNKGMCS-NRFANRHFSA-N 419.868 4.373 50 50 HIGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1cccnc1 720253 BGHNEIUVBWWTFE-LJQANCHMSA-N 406.436 4.301 50 50 HIGA O=C(N/N=C/c1cccnc1)c1ccc(Br)cc1OCc1ccccc1 1080343 OAPHGHYLRIZPIJ-YDZHTSKRSA-N 410.271 4.187 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1cccc([N+](=O)[O-])c1 1178587 XNORWDAKFKRYAA-IBGZPJMESA-N 409.405 4.356 50 50 HIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)c1 2531351 JJMKUXOAKQXENP-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(N)c(C#N)c(N)c3C#N)o2)cc1Cl 19789996 RGDDZSITLYRPJE-AWNIVKPZSA-N 400.829 4.275 50 50 HIGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(Br)s2)n[nH]1 5446494 XEMXGZSSVWTDRL-QGMBQPNBSA-N 409.696 4.318 50 50 HIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccco4)[nH]n3)cc2)cc1 18148528 CQWRKKINUMRKBV-ZVHZXABRSA-N 400.438 4.321 50 50 HIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccccn4)[nH]n3)cc2)cc1 5319008 YUTQFMRMQMKDJR-CVKSISIWSA-N 411.465 4.123 50 50 HIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccnc1 2544337 VAEGDAWOONIPOV-BHGWPJFGSA-N 414.248 4.372 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(OC)c1 2785482 CYWXVTHHFNVDRZ-MFKUBSTISA-N 404.466 4.355 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1208010 YKPXPYZPGZQRPG-CVKSISIWSA-N 414.440 4.208 50 50 HIGA CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(OC)cc3)c21 4631701 HPSFTLXONLIQID-HXUWFJFHSA-N 416.481 4.482 50 50 HIGA O=C(N/N=C/c1cccc(Br)c1)c1cccc(OC(F)(F)C(F)F)c1 668878 FQRLYFNZSQIWMI-LSFURLLWSA-N 419.172 4.450 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1c(Cl)cccc1[N+](=O)[O-] 1117270 MNVDJUWDRYPEMN-DJJJIMSYSA-N 421.840 4.457 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4365913 RXHXMVKBHBVUIL-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1O 1190267 WPUPKGFEWZQBAV-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCC(C)C)cc3)n[nH]2)cc1 16974225 AIQMUCWTQKXDQT-BUVRLJJBSA-N 406.486 4.274 50 50 HIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 4335680 MIEZURUUGYRCQL-MFKUBSTISA-N 404.466 4.112 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 2584798 NIZSMCDKFXXMJJ-WYMPLXKRSA-N 422.824 4.052 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O 1080313 QCBLRIYTCZUSSC-QGZVFWFLSA-N 405.329 4.206 50 50 HIGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 4372783 WTSPIBRWSOXQPJ-YZSQISJMSA-N 416.477 4.360 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1OC 1805593 DHYAKHBOAUQWOM-ZVHZXABRSA-N 406.486 4.056 50 50 HIGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4260006 FUPOPRSPXJWPRD-WSDLNYQXSA-N 414.870 4.150 50 50 HIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 4135848 RPCIQDSRAGQIOT-MFKUBSTISA-N 406.530 4.430 50 50 HIGA N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccco1 9088975 MUIQCNHFMZQDGN-INIZCTEOSA-N 403.463 4.143 50 50 HIGA N#Cc1ccc(NNC(=O)c2cc(F)cc(Br)c2)c(C(F)(F)F)c1 799754216 HHJUFYFDWFYFIY-UHFFFAOYSA-N 402.145 4.236 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1469009 KVOIMCHVHULQGT-HZHRSRAPSA-N 421.457 4.174 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)c1 9073616 GAFZNZIBJGLGJS-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 691484 KSYLSISYDDSVNN-VGOFRKELSA-N 418.928 4.310 50 50 HIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 4347266 HNOLIOLAFUWPNP-ZVHZXABRSA-N 419.437 4.011 50 50 HIGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 3166816 GUSVTWMEVWVLON-OAKZWBAKSA-N 404.466 4.192 50 50 HIGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1C#N 12343138 HTWBKDQZPNRTLD-DMYYFWOPSA-N 424.298 4.461 50 50 HIGA CCc1ccc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)s1 1875383648 BKFPBJUUJYPEJC-SFHVURJKSA-N 400.931 4.290 50 50 HIGA Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2 2902175 NIDYIYQRBNMEGA-DHRITJCHSA-N 414.465 4.496 50 50 HIGA N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1ccco1 9088974 MUIQCNHFMZQDGN-MRXNPFEDSA-N 403.463 4.143 50 50 HIGA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1472198 KDSALTXEZJYVKH-HXUWFJFHSA-N 420.852 4.399 50 50 HIGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1195731 CUFGRFBZIZHSQJ-SRZZPIQSSA-N 403.225 4.456 50 50 HIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 1211041 NDMIRUGIQRERJD-VULFUBBASA-N 424.460 4.340 50 50 HIGA CCCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)cc1 4527977 HOYYNMYKOIZAMK-LFVJCYFKSA-N 406.486 4.418 50 50 HIGA N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CC1 15836288 XPNHEDNZNHFIJQ-RQZCQDPDSA-N 422.282 4.085 50 50 HIGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccccc1OCc1ccccc1 102309949 CFUKOHQQCKRLKO-NLRVBDNBSA-N 401.466 4.400 50 50 HIGA BrC[C@H](Br)CCC[C@@H](Br)CBr 2170574 IBTSIHNNXNVYEC-RNFRBKRXSA-N 415.789 4.474 50 50 HIGA CCOC(=O)Cn1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c2ccccc21 5028331 ZSFZTOJEFSLTPB-GDNBJRDFSA-N 400.438 4.153 50 50 HIGA O=C1OC(=O)[C@@H]2C[C@@H]3[C@H](C[C@@H]12)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 216213808 WGLYADVYCJUFAY-XHRYQIDESA-N 424.922 4.174 50 50 HIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 2391627 PSTXMHHESFGAIX-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCCCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OC 4473582 KWDKYHPLUOHVNG-HXUWFJFHSA-N 416.481 4.482 50 50 HIGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CBr 253499489 IJWRHVPBIVEEQB-VWRJANRGSA-N 409.364 4.213 50 50 HIGA biogenic CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC 752420 NRGVUUXXCVXSOD-HXOBKFHXSA-N 416.477 4.302 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)[nH]n2)cc1 5296177 QEWUEQUTDVHEEN-LFVJCYFKSA-N 405.502 4.086 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1OC 5297621 MQYFPIGFLWEBDU-MFKUBSTISA-N 414.465 4.401 50 50 HIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 2581467 UBHWMOVDTUJUGD-WYMPLXKRSA-N 408.841 4.412 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)c1 4209297 YQRXZAUHVDHEET-XSAQUTRMSA-N 414.461 4.143 50 50 HIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4261039 VYFWBWCGCNIWIS-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)NC3CCCC3)o2)c1 8370865 DBDXGERVYHSZAQ-UHFFFAOYSA-N 415.559 4.342 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1 648849 CUCUPXSTNOPBNQ-HXUWFJFHSA-N 422.872 4.177 50 50 HIGA CC(C)(C)c1cc(CCC(=O)NNC(=O)Cc2ccccc2)cc(C(C)(C)C)c1O 2875939 AQAWZLJOSKLEIY-UHFFFAOYSA-N 410.558 4.310 50 50 HIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Br)s2)n[nH]1 5318871 FPBJFNLFENBAKI-AWQFTUOYSA-N 414.288 4.146 50 50 HIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946086 WUUGJWTZGAQWEB-AWQFTUOYSA-N 404.213 4.056 50 50 HIGA CC#C[C@H](O)C[C@H]1C=CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833789 YKVVGXJVUXWZNB-OTNCWRBYSA-N 404.626 4.282 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1115908 OEXMSLOXYIZWKA-HSZRJFAPSA-N 422.444 4.281 50 50 HIGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Nc2ccc(Br)cc2)c1 5060406 PGOWFVVVBMKHDG-UHFFFAOYSA-N 420.307 4.113 50 50 HIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OCC 8920213 VZPPWIYRRRSJLV-LJQANCHMSA-N 402.454 4.092 50 50 HIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(C)c(C)c1 17082318 LSOSZVRVPPGQHH-BGARDKSCSA-N 402.130 4.040 50 50 HIGA C/C(=N\NC(=O)C1CC1)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 8456168 WVEICOWNOMTVPH-WYMPLXKRSA-N 420.296 4.261 50 50 HIGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CCC3)cc1 705634 PLROAWPSFRWENG-HSZRJFAPSA-N 415.493 4.399 50 50 HIGA C=CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OCC 2506251 FALIQZUHGVSDRQ-FYJGNVAPSA-N 403.276 4.177 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584714 ARGSFZMOBHGIGH-ZMOGYAJESA-N 424.840 4.037 50 50 HIGA N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1ccc(Br)s1 4166602 JITGZPDKVNPFPN-NSHDSACASA-N 405.302 4.180 50 50 HIGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Cl)cc2)C(Cl)Cl)cc1 3109734 QQYZJYFEELTOHP-HNNXBMFYSA-N 416.761 4.495 50 50 HIGA O=C(N/N=C/C=C/c1ccco1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 2916503 VPVYSPLQTWJFAM-MXTJTKQSSA-N 411.461 4.422 50 50 HIGA CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCC)cc1OC 2506247 QCAXXGAAZIHVQE-CIAFOILYSA-N 421.291 4.019 50 50 HIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 4283479 YDLHFLZGRAEPTP-ZVHZXABRSA-N 419.437 4.011 50 50 HIGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)c(OC)c1 716432 OBZOOKHPAKQGNT-FQEVSTJZSA-N 407.495 4.070 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)ccc1O 17015830 VCFHWZXUPUDFIG-ZVHZXABRSA-N 406.486 4.143 50 50 HIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 867820 LHCHQBLKCIIFJI-SSDVNMTOSA-N 402.285 4.213 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nc2ccccc21 946815 LZOSFKLTRISDSC-GIJQJNRQSA-N 423.361 4.123 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl 2584699 XLNCFLXNGJCGCL-ZMOGYAJESA-N 424.840 4.037 50 50 HIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(Cl)c(C)c2)o1 2769500 PETQZIKYBRDRRZ-LJQANCHMSA-N 414.845 4.075 50 50 HIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)c1O 16994221 WTJHJNGDNADOSD-ZVHZXABRSA-N 406.486 4.143 50 50 HIGA Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c(C)c1 1137383 CAPZCJDQEAHDHV-SFHVURJKSA-N 423.513 4.462 50 50 HIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 3105040 CHIGYRMKSBHKJG-UHFFFAOYSA-N 408.285 4.197 50 50 HIGA Cc1ccc(C)c(-c2cc(C(=O)NNC(=S)NCC(C)C)c3ccccc3n2)c1 8682695 KSZGCRVMRORIEQ-UHFFFAOYSA-N 406.555 4.284 50 50 HIGA N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)N=C(O)[C@@H](C#N)C12CCCC2 8996180 HSYQDFBBIQXQIR-OAHLLOKOSA-N 419.462 4.114 50 50 HIGA aggregator O=C(Cc1c(F)cccc1F)NNC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1875319430 CBKYHGGQPJCMAE-UHFFFAOYSA-N 422.391 4.168 50 50 HIGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 628043 ZTTVYYRLMCILKD-GOSISDBHSA-N 407.271 4.161 50 50 HIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccccc1C(F)(F)F 6401657 YNCUNLAPHVSFBN-UHFFFAOYSA-N 413.490 4.265 50 50 HIGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 867856 UFLGAOLVAQHNBM-MFKUBSTISA-N 412.449 4.125 50 50 HIGA CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19860495 HDRVKWMIYVUCKZ-BVZCLVNKSA-N 405.448 4.446 50 50 HIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OCC)c1 102283938 MIOBCSQEUHDAMS-KOEQRZSOSA-N 419.566 4.278 50 50 HIGA CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@]3(C)CC3(Cl)Cl)o2)cc1 2089555 ZXPYKJLMKCTFMI-UJPSCDQMSA-N 409.269 4.157 50 50 HIGA COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 625555 GUPIMBMUWRXFSV-HNNXBMFYSA-N 415.232 4.327 50 50 HIGA CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(CN2CCSCC2)c1 17092784 BFKNQAXHSOMKAP-XSFVSMFZSA-N 421.566 4.352 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775975365 HXVKNKPDDGZZKL-NRFANRHFSA-N 404.372 4.402 50 50 HIGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccccc1C(F)(F)F 17091044 YCTILBUGXFOHIH-UHFFFAOYSA-N 417.453 4.096 50 50 HIGA COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 625552 GUPIMBMUWRXFSV-OAHLLOKOSA-N 415.232 4.327 50 50 HIGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)/C=C/c1ccccc1 2521922 HLNBBTISGBRNRQ-NBKMAVCRSA-N 406.482 4.344 50 50 HIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1c(Cl)cccc1Cl 4259922 DHQLXEYFXOFBPQ-BHGWPJFGSA-N 400.265 4.027 50 50 HIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1Cl 2566422 NCLKRGOOQYDWOL-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 1421546 KDBQPHCEQVCIAV-MFKUBSTISA-N 402.450 4.125 50 50 HIGA Cc1cc(/C=C(\C#N)C(=O)O[C@@H]2CCOC2=O)c(C)n1-c1cccc(Cl)c1Cl 221947069 KFZAKKZKPBALMG-RKCSUWQLSA-N 419.264 4.167 50 50 HIGA CC1=C(C#N)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 636846 IQNONLWPKPJZGY-GOSISDBHSA-N 415.287 4.305 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)o1 755619 NCBOFDZYHKZASW-XIKOKIGWSA-N 411.255 4.251 50 50 HIGA Cc1[nH]nc2c1[C@@H](c1cc(COc3ccc(F)cc3Cl)cs1)C(C#N)=C(N)O2 6459127 WNOSGTFDLDJOBU-QGZVFWFLSA-N 416.865 4.369 50 50 HIGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccc(O)cc1 1254618 LUDGLSGXQLBFOO-WPWMEQJKSA-N 410.477 4.463 50 50 HIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4366125 CJBPAPBOBIALEQ-HIQXPHMNSA-N 419.437 4.091 50 50 HIGA Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 2698922 OGNAZMIDXDKCJN-RGVLZGJSSA-N 414.581 4.381 50 50 HIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccco3)nc3ccccc32)cc1 730119 OGXSHTHUEZCVPX-YDZHTSKRSA-N 404.495 4.228 50 50 HIGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(O)c(I)c3)nc2c1 4819343 ATCICNPCHVLADJ-GHXNOFRVSA-N 401.207 4.246 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 9009210 UWGYMGXMSLLKIV-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(OC)cc3)c21 4631700 HPSFTLXONLIQID-FQEVSTJZSA-N 416.481 4.482 50 50 HIGA N#C/C(=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1cccs1 17088216 MTVIKTHYIFEJPH-UVTDQMKNSA-N 409.423 4.052 50 50 HIGA CCOc1ccc(OCC)c([C@@H]2[C@H]3CCCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1225176 DRMYADUFVVNMOX-AVRDEDQJSA-N 402.498 4.468 50 50 HIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4260272 CCKHPZBSNKJDOW-BUVRLJJBSA-N 420.490 4.225 50 50 HIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4366123 CJBPAPBOBIALEQ-SYXCRGJESA-N 419.437 4.091 50 50 HIGA COc1ccc(OCc2cc(/C=N/NC(=O)c3ccc(OC)cc3)ccc2OC)cc1 20248091 YEKDVGJFDSPANN-MFKUBSTISA-N 420.465 4.055 50 50 HIGA COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4327083 CGXHATFARNOYSK-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5297065 IDSWTMFSVAJUOV-CVKSISIWSA-N 409.493 4.158 50 50 HIGA CCn1ncc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cnn(CC)c2C)c1C 1009186 YHNRCYHIPWCINX-IGEMGIOYSA-N 404.518 4.066 50 50 HIGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc([N+](=O)[O-])cc1 33340698 RFMNMKQMVZWVLS-LFVJCYFKSA-N 404.470 4.359 50 50 HIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 4210620 GRUUYIDUMBAMTH-CVKSISIWSA-N 416.477 4.360 50 50 HIGA CC(=O)C[C@@H](O)C[C@H](COCOCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C 169834434 GXXFRTDRTFGWGA-QZTJIDSGSA-N 406.712 4.436 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 5354231 QVYRNRICCPHCBF-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 5408535 KZBKEHRUTZRHDG-JOCHJYFZSA-N 416.481 4.222 50 50 HIGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12C[C@@H](S(=O)(=O)c1ccccc1)C(=O)O2 169836746 QKUQZZSGDZJVTN-FUHIMQAGSA-N 410.608 4.089 50 50 HIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(Br)c1 2521733 NJBWLGACHIHEGE-UFWORHAWSA-N 402.075 4.285 50 50 HIGA COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 4366492 UHSZDVSSGJYHDQ-OAKZWBAKSA-N 404.466 4.192 50 50 HIGA O=C(CSCc1ccccc1Cl)NNC(=O)Nc1cccc(C(F)(F)F)c1 17091244 MQMZOSFZMSZQBE-UHFFFAOYSA-N 417.840 4.445 50 50 HIGA O=C(CNc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 1188395 FVFZCHHMDRDFPK-MFKUBSTISA-N 413.437 4.101 50 50 HIGA CC(=O)c1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1 2855449 IZIUMWCRSKXAGU-VQTJNVASSA-N 409.555 4.308 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1 2530547 AAPQDZYHMHAJAI-MFKUBSTISA-N 406.413 4.208 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccccc2OC)cc1COc1ccccc1C 32578309 HAJIKDRKIRXCJD-MYYYXRDXSA-N 404.466 4.355 50 50 HIGA CN(C)/C=N/C(S)=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101131740 VMKVQFGOZZAAGG-BMOPTUHHSA-O 416.510 4.193 50 50 HIGA COc1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1OC 245238241 HEBIFZDTECBEAZ-UHFFFAOYSA-N 405.498 4.078 50 50 HIGA COc1cccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2584829 IMTLJVKTSFBITI-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA O=C(O)CCSSCCNC(=O)OCC1c2ccccc2-c2ccccc21 143653265 FXHUKQIBGGQHPZ-UHFFFAOYSA-N 403.525 4.381 50 50 HIGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@]1(CCN(CCCl)C1)C2=O 257347568 LBTOVHWEDVPPIW-PXJJFVDNSA-N 406.010 4.420 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Br)o1 4259642 UGVIJGOVGWZVID-VXLYETTFSA-N 419.256 4.087 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2288899 YKQKIWWIMNTIMZ-WGOQTCKBSA-N 409.445 4.452 50 50 HIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1Cl 2568806 USAGSJAFZWWKJE-IFRROFPPSA-N 405.068 4.389 50 50 HIGA O=C(N/N=C/c1cccs1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 5018688 UPECTHKVVPFIKH-RLPRLPMXSA-N 401.491 4.226 50 50 HIGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c1 17082384 RDXFYFYBYOYMHM-SFQUDFHCSA-N 402.454 4.052 50 50 HIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Cl)s1 12343077 KRDPTBZETKDUKX-JFEKIERCSA-N 414.550 4.138 50 50 HIGA NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2520020 YQTDMLYTMJRDSN-CVKSISIWSA-N 411.465 4.121 50 50 HIGA C[C@H](O)CN1CCN(Cc2cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s2)[C@@H](C)C1 253424493 GVXRSMNZKZWCCT-YESZJQIVSA-N 413.704 4.113 50 50 HIGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1472159 MBDGKYYQPKICHV-FQEVSTJZSA-N 403.869 4.077 50 50 HIGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc(Cl)c1Cl 2521930 WGXOIJOBCQXNBA-GZIVZEMBSA-N 404.175 4.101 50 50 HIGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O1 752645 QYPRHVJIENRALG-OAHLLOKOSA-N 409.255 4.013 50 50 HIGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1O 1182416 HZJBXZUTCZNBTE-WFSQQTBHSA-N 415.287 4.338 50 50 HIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccccc1 2572290 ZUOKIWYJUCPHHJ-OEAKJJBVSA-N 423.266 4.432 50 50 HIGA CSc1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 6731489 BRXUCFQSHYXMJZ-CVQPQMNISA-N 421.547 4.391 50 50 HIGA CC(C)c1ccc([C@@H](CNC(=O)C2(C)Cc3ccccc3C2)NC(=O)CCl)cc1 1875386009 GYNDSKQLBFSTQH-OAQYLSRUSA-N 412.961 4.127 50 50 HIGA O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1cc2ccccc2cc1O 1120144 WZIRKVVTPRYENI-UHFFFAOYSA-N 406.294 4.484 50 50 HIGA O=C(CBr)Nc1c(Br)cc(Cl)cc1Br 1560683 WLVVIAWMUOEXPZ-UHFFFAOYSA-N 406.299 4.198 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)CCSc2ccccc2)cc1Br 5101739 JFHNFHXBMAYKTF-DEDYPNTBSA-N 407.333 4.480 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521168 JKBAGUOPEUYGRG-JQUAZWMLSA-N 418.424 4.217 50 50 HIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl 2552894 CTCASAUDPFVSAX-QPJQQBGISA-N 419.095 4.180 50 50 HIGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Cl)cc1 2578301 XPZPSJJWJKQRMV-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA CCNC(=S)NNC(=O)c1cc(-c2cccc(OCC(C)C)c2)nc2ccccc12 2112490 PDEYICAPMRYPFU-UHFFFAOYSA-N 422.554 4.065 50 50 HIGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1022670 JJLLXCVRNOEZJI-LJQANCHMSA-N 410.399 4.405 50 50 HIGA COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 5059669 MTCGNLMMVIHYFI-GOSISDBHSA-N 416.930 4.311 50 50 HIGA Cc1cccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c1 695886 QIHMWBAKSYEYKN-NRFANRHFSA-N 400.438 4.208 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccccc1 2293931 MOSNAOGZFMSWRJ-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA Cc1cc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)c(C)n1C1CC1 1875386158 KJJBAQNAISOCRZ-QFIPXVFZSA-N 423.944 4.419 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 2077254 JGEWWEGREXNUGB-FYJGNVAPSA-N 405.292 4.401 50 50 HIGA O=C(CSc1ccc(Cl)cc1)NNC(=S)Nc1ccc(F)c(Cl)c1 2570970 LDCSJKCHUVTSKC-UHFFFAOYSA-N 404.319 4.242 50 50 HIGA Cc1cc(OC(C)(C)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)ccc1Cl 6825945 SFHOVIJUMGVMGY-LSFURLLWSA-N 409.269 4.338 50 50 HIGA O=C1OC(=O)[C@@H]2C[C@@H]3[C@@H](C[C@@H]12)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 216213755 WGLYADVYCJUFAY-TZPLBDTCSA-N 424.922 4.174 50 50 HIGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(OC)ccc2OC)cc1 5928978 JNIRYHLNHGGQPC-GZTJUZNOSA-N 402.454 4.202 50 50 HIGA Cn1cc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c(-c2ccccc2Cl)n1 170623227 SUFZNQMZQOZWMI-UHFFFAOYSA-N 423.687 4.122 50 50 HIGA N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)N=C(O)[C@H](C#N)C12CCCC2 17044149 HSYQDFBBIQXQIR-HNNXBMFYSA-N 419.462 4.114 50 50 HIGA aggregator CCOc1ccc(OCC)c([C@@H]2[C@@H]3CCCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19299991 DRMYADUFVVNMOX-GCJKJVERSA-N 402.498 4.468 50 50 HIGA Cc1ccc(NN2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 25762838 ZFLLVTPAKBCDBF-NRFANRHFSA-N 415.453 4.031 50 50 HIGA COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC 169834250 UXUMTMVSWMDPQE-ZIAGYGMSSA-N 406.668 4.113 50 50 HIGA CCCc1n[nH]c2c1[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3C)o1)C(C#N)=C(N)O2 1108980 CZEHGCMFBGGZFR-GOSISDBHSA-N 405.414 4.057 50 50 HIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2571675 DRVMTAJROXEKHS-WSDLNYQXSA-N 414.870 4.150 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 5354265 MYZJAHGGWVPXKB-UFFVCSGVSA-N 418.240 4.446 50 50 HIGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 1848443875 XTRFLDXRIWZDQW-QNBBBSCBSA-N 407.558 4.491 50 50 HIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2521963 DRMLAIXUNHOUJX-FBCYGCLPSA-N 402.621 4.084 50 50 HIGA Cc1cc(C)c(NNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1 783370187 VSMAOAMPQRVTCD-UHFFFAOYSA-N 412.490 4.041 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 2553676 VCEHCIPXCBPTMZ-WYMPLXKRSA-N 422.312 4.052 50 50 HIGA Cc1c([C@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cnn1C 2762045 CCTWPQFVBZATFG-HXUWFJFHSA-N 421.932 4.323 50 50 HIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(CN2CCOCC2)cc1 19770512 WYMIWFZWPICLDV-NLRVBDNBSA-N 415.493 4.075 50 50 HIGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1O 826121 DXHVMXKJCDRIOD-YDZHTSKRSA-N 401.378 4.478 50 50 HIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 2521664 DRONUVNIIXPLSN-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccccc1 2529685 SZCKVOMWDPPLHX-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4230335 BNSDHTQPLHUBIL-WYMPLXKRSA-N 422.312 4.052 50 50 HIGA Cc1ccc(/[S@@](C)=N/S(=O)(=O)c2ccc(CCBr)cc2)cc1 4533195 WMHBXZMOURTDRQ-NRFANRHFSA-N 400.363 4.112 50 50 HIGA C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1O 22147473 LYSNCGANCIGISR-DHDCSXOGSA-N 413.271 4.437 50 50 HIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)ccc1O 15934411 XWUDZDCCTJDJLO-ZMOGYAJESA-N 424.840 4.037 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1 4708632 DVMXMGPKRQGTGN-IBGZPJMESA-N 406.467 4.270 50 50 HIGA CC1=C(C#N)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 636849 IQNONLWPKPJZGY-SFHVURJKSA-N 415.287 4.305 50 50 HIGA CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCCSSCCC(=O)O 1875388589 HTESFJPACOIVKU-UHFFFAOYSA-N 420.556 4.020 50 50 HIGA O=C(O)CCSSCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 1875388696 MKDMAYKHHNBBKU-UHFFFAOYSA-N 421.327 4.234 50 50 HIGA C/C(=N\NC(=O)c1oc2ccccc2c1C)c1cccc(NC(=O)C(F)(F)F)c1 17082624 NHMIMYVKUUNWDH-BRJLIKDPSA-N 403.360 4.396 50 50 HIGA COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 4372674 NSVOKVBMQGEMAD-MFKUBSTISA-N 420.465 4.055 50 50 HIGA CC(C)(C)[C@H](/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)C(=O)O 100471377 KBBVVRIYDFHDPN-ZCBHOAFYSA-N 403.462 4.363 50 50 HIGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(Br)cc1 704648 LMUXYFHTGCZFAY-RGVLZGJSSA-N 400.301 4.240 50 50 HIGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1 2571676 VDPDNUYYHYIGCH-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA COc1cc(/C(C)=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 6720100 JSLULUYYLWJQIR-PCLIKHOPSA-N 405.498 4.165 50 50 HIGA CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799749703 YZNPSUSRMHXZCO-UHFFFAOYSA-N 418.419 4.110 50 50 HIGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 1214574 PEGZZZKJMLHLLT-ZVHZXABRSA-N 420.469 4.346 50 50 HIGA Cc1c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)sc2ccccc12 1446004 FMPSJNBZRBONNA-IBGZPJMESA-N 406.555 4.423 50 50 HIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1 2544301 IIZCPGNMAXCETD-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 4365995 DVQBQSKCZIGDBO-YZSQISJMSA-N 416.477 4.360 50 50 HIGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12C[C@@H](S(=O)(=O)c1ccccc1)C(=O)O2 169836749 QKUQZZSGDZJVTN-UWVAXJGDSA-N 410.608 4.089 50 50 HIGA COc1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 671894 ANHPAJAHROGBPK-MFKUBSTISA-N 420.465 4.055 50 50 HIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)c1 4677811 QFFPCRCAEMHHFO-CIAFOILYSA-N 413.275 4.002 50 50 HIGA COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1 1003180 XYUFKFLPDNPSLO-OAQYLSRUSA-N 420.465 4.318 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 1087812 IKUFQUYTQASDDQ-RBZFPXEDSA-N 416.412 4.017 50 50 HIGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4229792 XSDDSIJFLAGICE-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1OCc1ccccc1 43761354 XOSBAPVEFDGXLP-JFLMPSFJSA-N 413.477 4.448 50 50 HIGA C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N/NC(=O)Nc1ccccc1 1498029 AOKFKMIGCMWXEN-DARPEHSRSA-N 410.499 4.057 50 50 HIGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 2519999 BIWATLXIPCQLLH-HPMPDSITSA-N 418.280 4.143 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2521939 XDQGADKJPAJVND-WSDLNYQXSA-N 408.285 4.261 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4259156 IUTRWXSNNDDFCN-MFKUBSTISA-N 402.450 4.052 50 50 HIGA CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 97950535 DRXRYFKSQXMVMF-UHFFFAOYSA-N 415.534 4.306 50 50 HIGA COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1O 1214546 WYBAJHZSSXDQAE-WSDLNYQXSA-N 413.271 4.009 50 50 HIGA O=C(O)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 1776111284 LJXFAJOAMWKRNS-ZMOGYAJESA-N 422.824 4.021 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 690992 MUHSQUVXMCFMFN-AOMKIAJQSA-N 418.928 4.310 50 50 HIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2cccs2)n[nH]1 5296752 ZPKSUKMERKLIJI-FKDPSPLQSA-N 401.289 4.290 50 50 HIGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 647632 KVCGIMISJACTJQ-QFIPXVFZSA-N 416.481 4.196 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc(C(F)(F)F)c1 1430521 XXQQDOPKDHKZDX-HNNXBMFYSA-N 400.381 4.498 50 50 HIGA O=C(NNC(=S)NCc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 2856000 NWPJXRVBNDHLBJ-UHFFFAOYSA-N 423.925 4.273 50 50 HIGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4230116 XAXIJZMXSMFUSD-WGOQTCKBSA-N 418.424 4.374 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(Br)cc1 1430515 CJBFYLGDPHKUFX-HNNXBMFYSA-N 411.280 4.242 50 50 HIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2521797 AUQIZWLWMHURFI-LSFURLLWSA-N 421.671 4.284 50 50 HIGA COc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1OCc1c(F)cccc1Cl 17082078 UBLXUBXIECYXGW-GXDHUFHOSA-N 400.837 4.252 50 50 HIGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@]1(CCN(CCCl)C1)C2=O 257347566 LBTOVHWEDVPPIW-HKPLLZESSA-N 406.010 4.420 50 50 HIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCC 658757 QCNCFVUNZAHSGR-QFIPXVFZSA-N 416.481 4.196 50 50 HIGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 1190226 HKLGBLZUMJVTDL-SDNWHVSQSA-N 419.393 4.418 50 50 HIGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 2856670 ZFWLSYKZBVBUAA-UHFFFAOYSA-N 415.493 4.311 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1COC(C)=O 32578321 CNXNPMCJCQNVSO-MYYYXRDXSA-N 402.450 4.189 50 50 HIGA CC1(C)CC(=O)C=C(NNC(=O)C[C@@H]2[C@](C)(O)CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 169618093 DLQPYUGIFKAABP-RKGYPADOSA-N 404.595 4.264 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 690798 JSZBOZOPINBCGY-JTSKRJEESA-N 418.928 4.310 50 50 HIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4c(c3)OCCO4)sc2c1 5676258 HYEFDNNDXACYCB-UFFVCSGVSA-N 402.859 4.098 50 50 HIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1I 1947972 NRRSTPYZJYWWSQ-QGMBQPNBSA-N 419.049 4.362 50 50 HIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 4354881 DSJRXZMCPJZVOA-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(Oc2ccccc2)c1 4210519 KQDAUZYZZGUVQL-AFUMVMLFSA-N 407.857 4.012 50 50 HIGA COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1O 16677492 DLWSWZTZOLEFPH-AUWJEWJLSA-N 401.260 4.326 50 50 HIGA COc1ccc([C@@H](Br)C(=O)OCC(Cl)(Cl)Cl)cc1OC 139493706 PPKJHJLORFAYPZ-SNVBAGLBSA-N 406.487 4.053 50 50 HIGA CO[C@@H](C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1ccccc1 4210175 PKJKJHXLQRQRNQ-XHVCOWHDSA-N 414.461 4.143 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)n(Cc3ccccc3)c3ccccc23)[C@@H]1c1ccccc1 6668182 YGYZKTDRKQWEQO-JOCHJYFZSA-N 405.457 4.268 50 50 HIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 1210103 PHPKBBGFDGGLCV-RGXRWQALSA-N 410.477 4.031 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4282847 VYLBAIBRNZVNOC-MFKUBSTISA-N 402.450 4.052 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 2506409 FYMLLZBDOJWVOB-MFKUBSTISA-N 402.450 4.295 50 50 HIGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(Cl)cc1 17091371 YPRGVLGQEZGINW-UHFFFAOYSA-N 418.346 4.384 50 50 HIGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccccc1Cl 731294 JJYJBOWFJUNSKR-MFKUBSTISA-N 422.868 4.261 50 50 HIGA COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 16671767 FVPUVXXSPIRVHU-UKTHLTGXSA-N 422.422 4.432 50 50 HIGA O=C(CCCCCCC(=O)N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)N/N=C\[C@H]1C[C@H]2CC[C@H]1C2 245325286 FDSJIPNXQKFKCI-JIEMPJFCSA-N 414.594 4.403 50 50 HIGA Cc1c(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C 6253961 HEERIIHLDCNIPH-HKWRFOASSA-N 408.461 4.183 50 50 HIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3c(O)ccc4ccccc34)c2C)cc1 4981282 GQNLPSALGIQKAD-AFUMVMLFSA-N 414.465 4.407 50 50 HIGA O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 3037873 SZJQKOPMHZPENF-UHFFFAOYSA-N 401.304 4.184 50 50 HIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc1 4230144 ZCIMOTBRGSMODI-PCLIKHOPSA-N 418.449 4.164 50 50 HIGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21 4708299 QJTJQARPQDVUFF-OAQYLSRUSA-N 416.506 4.269 50 50 HIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(N(C)C)cc1 102295102 RWEXVJPOCXNATQ-XIEYBQDHSA-N 402.583 4.240 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1 4355353 HUUILGLDFLLPBK-AFUMVMLFSA-N 409.873 4.477 50 50 HIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccnc1 1475111 MMOXORJDLOEUQM-YZSQISJMSA-N 415.522 4.112 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1 2584681 QCQNXIRLGLWINY-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 1086597 SLXZKACWUVYYQY-UFFVCSGVSA-N 404.875 4.344 50 50 HIGA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@H]13 252693587 FEPCMSPFPMPWJK-HDGPJKNHSA-N 400.515 4.212 50 50 HIGA biogenic O=C(N/N=C/c1cccc(OCc2ccccc2C(=O)O)c1)c1ccccc1Cl 2325725588 MQECYQAPKHYKQP-ZMOGYAJESA-N 408.841 4.381 50 50 HIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 7782297 ICCAPGFFPKUADA-IFRROFPPSA-N 405.068 4.389 50 50 HIGA COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(C)=O 32578325 OHGSTQMHTIIPBY-MYYYXRDXSA-N 418.449 4.060 50 50 HIGA Cc1cc2c3c(c1C)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 814353 YWOLAHMVVJUZAZ-ZJWNCGCPSA-N 415.493 4.014 50 50 HIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 970231 RCYKSCRMYZPQTE-SFHVURJKSA-N 422.872 4.356 50 50 HIGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Cl)cc2)C(Cl)Cl)cc1 3109733 QQYZJYFEELTOHP-OAHLLOKOSA-N 416.761 4.495 50 50 HIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210314 PLMYXJPQIAYAMR-IOFATVNJSA-N 400.434 4.078 50 50 HIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4302800 QQBQVLLJJPHSMZ-SYXCRGJESA-N 419.437 4.091 50 50 HIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 5408534 KZBKEHRUTZRHDG-QFIPXVFZSA-N 416.481 4.222 50 50 HIGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1n[nH]cc1-c1ccc(F)cc1 6413356 AXQQIVUTKCSJKE-DDFZXGMKSA-N 400.841 4.095 50 50 HIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946122 TUPAGUQONZCUJV-AWQFTUOYSA-N 404.213 4.056 50 50 HIGA C=CCc1cc(C=NNC(=O)CCCc2ccc(OC)cc2C)cc(OCC)c1O 252428197 UEYDPEIRSBXZHJ-UHFFFAOYSA-N 410.514 4.309 50 50 HIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 1051033 OBYRCTHZGBHLCU-KEBDBYFISA-N 403.667 4.257 50 50 HIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OCC 8983227 VZPPWIYRRRSJLV-IBGZPJMESA-N 402.454 4.092 50 50 HIGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN(c3cnccn3)CC2)s1 253424661 JFHNBTURBLZNDL-MRXNPFEDSA-N 419.671 4.338 50 50 HIGA CCOc1cc(NC(=O)C(Cl)Cl)c(OCC)cc1NC(=O)c1ccccc1 950499 GHMLKOVKTGEORS-UHFFFAOYSA-N 411.285 4.479 50 50 HIGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 1196055 LKNNSZQDPORROY-RGVLZGJSSA-N 414.215 4.381 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372920 YJGYNRBLCUGYKS-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(Br)cc1 9089435 WZTFMBCXKCBGFM-SRZZPIQSSA-N 401.239 4.132 50 50 HIGA CC(=O)Nc1ccc(N2C(C)=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)cc1 1072542 MHQOMNCMWOTIJD-UHFFFAOYSA-N 404.314 4.174 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1178586 XNORWDAKFKRYAA-LJQANCHMSA-N 409.405 4.356 50 50 HIGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 855604 DRSDKJFOFXCVIS-WSDLNYQXSA-N 412.287 4.326 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccc(F)cc2Cl)o1 2769671 SYDGGPOMEJPCGA-IBGZPJMESA-N 414.820 4.466 50 50 HIGA CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cc2ccccc2cc1O 5091024 OQUZIIOFFCCMNB-MFKUBSTISA-N 405.454 4.079 50 50 HIGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 9329901 XBGQOFWRZCKBLT-NLRVBDNBSA-N 410.477 4.462 50 50 HIGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 18148469 RATNVSIISASRRT-MFKUBSTISA-N 412.449 4.125 50 50 HIGA C=CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OCC=C 2506249 QTHSGPDLOHLNDD-HYARGMPZSA-N 415.287 4.343 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C\c3ccccn3)c3ccccc3n2)c(OC)c1 4651604 HHHZBBYLAJTASI-YSMPRRRNSA-N 412.449 4.078 50 50 HIGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 16994944 FEMONSKQPVEIAY-SSDVNMTOSA-N 422.286 4.393 50 50 HIGA CC(=O)c1cccc(NC(=S)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 2852298 KIHPICINWUUANE-UHFFFAOYSA-N 403.507 4.117 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 15016793 OBJNBFASDDRQHQ-JOCHJYFZSA-N 422.444 4.250 50 50 HIGA C[C@H](O)CN1CCN(Cc2cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s2)[C@@H](C)C1 253424490 GVXRSMNZKZWCCT-ULQDDVLXSA-N 413.704 4.113 50 50 HIGA O=C(CC(c1ccccc1)c1ccccc1)NNC(=S)NCc1ccc(F)cc1 7822130 SPJQDEOURKYTEF-UHFFFAOYSA-N 407.514 4.043 50 50 HIGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)NCc3ccccc3)sc2c1 17082787 TYWCHOLCDBLHAC-UHFFFAOYSA-N 403.960 4.426 50 50 HIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 4210577 OUWFDPIRNRUVGS-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 945762 ZBXAMCDWJSRIPI-ZMOGYAJESA-N 411.421 4.001 50 50 HIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Cl 2518587 ZWKYGLHKBSFIQN-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA COc1cc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3OC)n2)ccc1O 16671889 GXUJZQVIOZAOIQ-JLHYYAGUSA-N 424.438 4.418 50 50 HIGA CO[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1)c1ccccc1 4210002 DFQBOMMHBOBGNS-NJRDNMGOSA-N 402.450 4.052 50 50 HIGA O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 4989710 SZGHNBQIOMXKRT-UCQKPKSFSA-N 413.393 4.076 50 50 HIGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1Cl 6529663 JQUMSZCLRXTFFW-UHFFFAOYSA-N 400.356 4.244 50 50 HIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2)cc1 1210456 HHZVMGKABSGVNG-WGOQTCKBSA-N 410.477 4.377 50 50 HIGA O=C(CCl)NC[C@@H](NC(=O)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875383304 OEIXNULLXTVIOJ-FGZHOGPDSA-N 406.913 4.082 50 50 HIGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cccc(Br)c1 1946924 VNYNCZVOFXIMHJ-SRZZPIQSSA-N 422.710 4.280 50 50 HIGA CCc1ccccc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 6395246 UOFNCZPWKOPXNZ-UHFFFAOYSA-N 411.955 4.293 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1cccs1 1074788 GKDUWDKJIRVFBQ-LPYMAVHISA-N 404.499 4.095 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210714 PAFICDWVCFOGGE-OFJVMFQISA-N 414.461 4.143 50 50 HIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)[nH]n2)c1 8836825 DIMZVOFFGRRCKN-LFVJCYFKSA-N 405.502 4.086 50 50 HIGA Cc1ccc2nc(/C(C#N)=C/c3c(C)c(C#N)c4[nH]c5ccccc5n4c3=O)[nH]c2c1 100312071 APVHTFJTLFOAHX-XNTDXEJSSA-N 404.433 4.210 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1786765 OHXMGJAJYGGZCB-QGMBQPNBSA-N 406.876 4.100 50 50 HIGA C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CBr 253499488 IJWRHVPBIVEEQB-MFYJRRGVSA-N 409.364 4.213 50 50 HIGA biogenic Cc1ccc(Cl)c(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c1 2852542 HUUUBRBRRHGLGG-UHFFFAOYSA-N 402.665 4.187 50 50 HIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 9110119 OKMOMVUFAZSFLC-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA COc1cc(Br)c(C[C@@H](Br)CBr)cc1OC 2167713 MLDDYHMCHZRKRN-MRVPVSSYSA-N 416.935 4.167 50 50 HIGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc(F)c1 1474733 WZVGTTQTJRBLOZ-KEBDBYFISA-N 418.544 4.212 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)n(-c3ccccc3)n2)cc1 5514003 JREZIVCJOQQERT-PCLIKHOPSA-N 412.449 4.017 50 50 HIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1 1208765 CJCNDUFXXRRGDZ-BHGWPJFGSA-N 412.280 4.483 50 50 HIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccs1 1210205 PPLNVKGCENJDNA-HYARGMPZSA-N 419.535 4.238 50 50 HIGA O=C(CCCCCCC(=O)N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2 245325287 FDSJIPNXQKFKCI-UVFBARCISA-N 414.594 4.403 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 1087811 IKUFQUYTQASDDQ-XCLFUZPHSA-N 416.412 4.017 50 50 HIGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1csc(C)c1-c1ccc(C)cc1 1121702 LVFFRTBOYWBECU-UHFFFAOYSA-N 423.494 4.285 50 50 HIGA O=C(N/N=C/C1=C(c2ccccc2)Oc2ccccc2O1)c1cccc([N+](=O)[O-])c1 2901004 ROEQCSUHMAAOLB-OEAKJJBVSA-N 401.378 4.151 50 50 HIGA Cc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccccc3n2)cc1 5601203 LTUMEBHLQQLAON-UHFFFAOYSA-N 406.445 4.296 50 50 HIGA CCCCc1ccc(N2C(=O)CS/C2=C(/C#N)S(=O)(=O)c2ccccc2)cc1 18097338 GHGFOUGDUZVPFL-VZCXRCSSSA-N 412.536 4.276 50 50 HIGA O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCC(N2CCNC2=O)CC1 762967202 DAHLGINYVCPXMO-UHFFFAOYSA-N 414.400 4.366 50 50 HIGA COc1c(Cl)cc(NC(=O)C(=O)NNc2ccc(C(F)(F)F)cc2)cc1Cl 773763236 NOEGCRFJHKTYIS-UHFFFAOYSA-N 422.190 4.103 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2543244 QSWGKTCXOMIQPQ-MFKUBSTISA-N 402.450 4.052 50 50 HIGA O=C(NNc1ccc2c(=O)[nH]ccc2c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 803436018 RTWSOHWTCHFHRV-UHFFFAOYSA-N 414.396 4.232 50 50 HIGA CCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 668702 FUEKZNAQIOWVHD-IWIPYMOSSA-N 410.474 4.432 50 50 HIGA Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1 1631298 QOICHLMIPNOKLN-UHFFFAOYSA-N 416.611 4.238 50 50 HIGA in-vitro C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1ccncc1 5402591 QUNWBAGQWGPFKM-YZSQISJMSA-N 411.465 4.205 50 50 HIGA CC(=O)c1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1 2855450 IZIUMWCRSKXAGU-UXHICEINSA-N 409.555 4.308 50 50 HIGA O=C(NNC(=O)c1ccc(OC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 1120373 GFFBYRMDNDLUDU-UHFFFAOYSA-N 407.392 4.493 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 3152098 CVVCYYUDIFDVNV-DEDYPNTBSA-N 422.266 4.234 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nc2ccccc21 1303152 ZPTKFWMPSLHOAO-FOKLQQMPSA-N 406.433 4.317 50 50 HIGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1471953 UWCLWDISUYEPTA-OAQYLSRUSA-N 417.896 4.271 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1c(Cl)cccc1[N+](=O)[O-] 1117264 MNVDJUWDRYPEMN-BFUOFWGJSA-N 421.840 4.457 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1 5444326 RVOMDSYGCNPORZ-CIAFOILYSA-N 401.923 4.402 50 50 HIGA COc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 207906762 KLURXUHNRVNZIR-RGEXLXHISA-N 421.460 4.489 50 50 HIGA CCc1ccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1 2794610 WCQTYHHJJJMWHF-UHFFFAOYSA-N 415.412 4.117 50 50 HIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1 5125789 BRDYYLZXPZJBDC-MFKUBSTISA-N 414.465 4.401 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 5583779 RRSGWEOCUWMALP-HZHRSRAPSA-N 400.910 4.055 50 50 HIGA IC[C@H]1CN=C(N(Cc2ccccc2)Cc2ccco2)S1 690324 LLBJQRBRQZLNRQ-HNNXBMFYSA-N 412.296 4.188 50 50 HIGA COc1ccccc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C 704584 WFAJQKMZCNUAGA-SSDVNMTOSA-N 419.319 4.419 50 50 HIGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc12 793952 JSARIXDJRYHYFH-CIAFOILYSA-N 405.439 4.068 50 50 HIGA COc1cccc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 5516816 XNBCYBDUKIEIGY-YSMPRRRNSA-N 405.429 4.241 50 50 HIGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cc2ccccc2cc1O 100484780 DJDGFPSMHPOXPK-PNHLSOANSA-N 421.456 4.226 50 50 HIGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1 2325899794 XQXVOVXYAYSUCH-WGOQTCKBSA-N 409.449 4.357 50 50 HIGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 826125 SJUHAUXZJLWQAM-RGVLZGJSSA-N 414.215 4.381 50 50 HIGA N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccn1 17088772 RCAHDEUCPSOHBR-MHWRWJLKSA-N 411.292 4.462 50 50 HIGA N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(N)c1C#N 12377086 ZJIHFYIJTHTTCT-DTQAZKPQSA-N 421.420 4.089 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2388851 KZNFJFLPHBEMOI-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 2958604 ZTIYEQBVOQCKML-TYSUYXETSA-N 408.498 4.449 50 50 HIGA O=C(N/N=C/c1cnc(N2CCC(C(F)(F)F)CC2)s1)c1ccc(Cl)cc1 263639738 GTZKHBPDCOFREY-AUEPDCJTSA-N 416.856 4.339 50 50 HIGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cccc(Br)c1 1234042 GESHNTNPGKPOLL-UHFFFAOYSA-N 400.301 4.234 50 50 HIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc1 6400728 KEOBABBGECZGBT-UHFFFAOYSA-N 413.490 4.265 50 50 HIGA O[C@@H](COc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101010969 CGRWJLBHCCIIGA-QHCPKHFHSA-N 413.477 4.420 50 50 HIGA Cc1nnc(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)n1-c1ccccc1 1001369 PYVWRAYYCIAFFE-UFFVCSGVSA-N 420.325 4.125 50 50 HIGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 3105076 KABOMAZHOXUZRQ-UHFFFAOYSA-N 401.466 4.023 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 13479339 XHTIDIACWSSMPW-SSDVNMTOSA-N 424.917 4.358 50 50 HIGA N#C/C(=C/C1=Cc2ccccc2OC1)S(=O)(=O)c1ccc(Br)cc1 1131019 NFNFNIKYNNTTIF-YVLHZVERSA-N 402.269 4.106 50 50 HIGA COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cn3nc(C)cc3C)c2)c1 17090636 YWTHRNQWLDZDBV-YBFXNURJSA-N 416.481 4.111 50 50 HIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccncc2)c([N+](=O)[O-])c1 100326734 OUCSJEMRFZNPIG-CFRMEGHHSA-N 412.490 4.233 50 50 HIGA COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1 1003181 XYUFKFLPDNPSLO-NRFANRHFSA-N 420.465 4.318 50 50 HIGA CS/C(Cl)=C(\NC=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101126743 QVSJHLXXEMYGEW-QURGRASLSA-O 412.902 4.455 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 1087810 IKUFQUYTQASDDQ-RNODOKPDSA-N 416.412 4.017 50 50 HIGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc2c3c(cccc13)CC2 1228171 QXTRSNNGPJYJIS-BUVRLJJBSA-N 403.438 4.074 50 50 HIGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530509 QHGCELAXGDQEPD-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 9110179 BYSJDTDVXMACPT-LFVJCYFKSA-N 400.438 4.055 50 50 HIGA O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1ccc(Cl)cc1 1995054 UKWNPLVBZWDCIL-UHFFFAOYSA-N 408.961 4.060 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)cc1 9031664 YCAVDDOSPHQYQO-SANMLTNESA-N 424.504 4.042 50 50 HIGA N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ccccc2s1 13382213 FIFSWXQWAAINEY-SDNWHVSQSA-N 407.476 4.268 50 50 HIGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)C2CCC(C(C)(C)C)CC2)cc1OC 17089292 KZFXFQBWJSCXPN-QFEZKATASA-N 412.534 4.397 50 50 HIGA CC(=O)c1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1 2855448 IZIUMWCRSKXAGU-PMACEKPBSA-N 409.555 4.308 50 50 HIGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 4709627 HNCAILZBNKIXIS-SFHVURJKSA-N 410.430 4.100 50 50 HIGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1 2521130 IXOOBHWKIBIXQA-CFJDQPRKSA-N 414.461 4.386 50 50 HIGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1 2674747 YAKJZNQBRWHVNG-UFFVCSGVSA-N 405.292 4.116 50 50 HIGA CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 5314458 AIJKJLMNIJANDT-AFUMVMLFSA-N 414.465 4.487 50 50 HIGA O=C(N/N=C/c1cccc2c1OCCCO2)c1cc(-c2ccncc2)nc2ccccc12 1875253623 FYPRTECWYXDNNT-JVWAILMASA-N 424.460 4.222 50 50 HIGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Nc1cccc(Cl)c1Cl 5041529 IUONDCMJYMUMAM-NSHDSACASA-N 408.285 4.102 50 50 HIGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 5402669 MUYZGHZXNUCBPZ-KEBDBYFISA-N 403.667 4.257 50 50 HIGA O=C(NNc1nc(O)c2ccccc2n1)c1ccc2c(ccn2Cc2ccccc2)c1 762890351 RWVPRAILBFDQCW-UHFFFAOYSA-N 409.449 4.095 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 1087809 IKUFQUYTQASDDQ-ZUOKHONESA-N 416.412 4.017 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nc2ccccc21 1194647 KYXSVQDAFCXPFK-RGVLZGJSSA-N 417.332 4.061 50 50 HIGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3cccc(F)c3)cc1)C(C#N)=C(N)O2 622911 JAVUCWYMQAGFDZ-HXUWFJFHSA-N 404.445 4.298 50 50 HIGA Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1472160 MBDGKYYQPKICHV-HXUWFJFHSA-N 403.869 4.077 50 50 HIGA CCCCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC 2746490 AJWXFISQMXMDFD-HXUWFJFHSA-N 418.449 4.199 50 50 HIGA Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccc(Cl)cc1)C(F)(F)F 16607342 QTBLBCLYKYKSQI-JLPGSUDCSA-N 422.794 4.236 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1430520 CCKDVZQOUAOUBJ-OAHLLOKOSA-N 400.381 4.498 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccccc2Br)nc2ccccc21 1193528 UYQBVVHQWYKTNW-RGVLZGJSSA-N 417.332 4.061 50 50 HIGA O=C(N/N=C/[C@@H]1CC=CCC1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 5902384 FZTOOVOBYZMADH-AZRQGOPLSA-N 413.403 4.487 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 2543057 ZQYAHLWKEBBDRR-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA CC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)N/N=C(/CC)Cc1ccccc1 4975872 JSNYYDPQCDQLTJ-ORFRIDJFSA-N 406.530 4.016 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 5125861 VRGCPZWVNFNXTL-CIAFOILYSA-N 413.275 4.002 50 50 HIGA COC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1Cl 32634434 HGXRAVFTYOQNQD-OCKHKDLRSA-N 411.639 4.012 50 50 HIGA Cc1nnc(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1 1210201 IVTWMSHJNYAOIY-UFFVCSGVSA-N 420.325 4.125 50 50 HIGA N#Cc1ccc(NNC(=O)c2ccc(OCC(F)(F)F)cc2)c(C(F)(F)F)c1 799752515 NUMWADWVXZDLHH-UHFFFAOYSA-N 403.282 4.275 50 50 HIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2)cc1 1886303 BXQWPOYBRCBDNO-UHFFFAOYSA-N 412.530 4.006 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccc(F)cc2Cl)o1 2769670 SYDGGPOMEJPCGA-LJQANCHMSA-N 414.820 4.466 50 50 HIGA N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 2835528 HZNHVFVCBRIYLH-MRXNPFEDSA-N 415.877 4.190 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccco2)cc1COc1cccc2cccnc12 32573608 DQYACFVEOQFORT-QFEZKATASA-N 401.422 4.179 50 50 HIGA C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc([N+](=O)[O-])cc1 9058930 GGBRBFFHDFFXGB-LPYMAVHISA-N 419.466 4.458 50 50 HIGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1243833 TYXLYOPBAXVSRC-NRFANRHFSA-N 416.481 4.060 50 50 HIGA CC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 865478 SETXISKYMRZHNQ-KEBDBYFISA-N 420.263 4.124 50 50 HIGA Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)s1 1798466 QWEBGEZPQBXMKW-GIJQJNRQSA-N 420.610 4.443 50 50 HIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(Cl)c1 17088036 UVJWJNZYKHWDDT-VQGSWFTOSA-N 408.521 4.076 50 50 HIGA O=C(C[C@H](c1ccccc1)C(F)(F)F)NNC(=O)c1cccc(C(F)(F)F)c1 729950930 FAWPXXUBVQLGFH-CQSZACIVSA-N 404.310 4.203 50 50 HIGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2ccccc2cc1O 825000 RFJKXZCUYXCKAF-YDZHTSKRSA-N 401.378 4.478 50 50 HIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1O 4360350 UQXUJLQKPHIYOB-XUANBZSPSA-N 404.466 4.376 50 50 HIGA CCOc1ccc(OCc2cccc(C(=O)N/N=C/c3ccc(OC)cc3)c2)cc1 662780 XAAGBHWDDUSIBQ-PCLIKHOPSA-N 404.466 4.437 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4372586 OASDIEOJBQWDOH-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc3c(s2)C[C@@H](C)CC3)cc1OC 13321876 LBOPUJVVOGAZBG-ZGUVFNMESA-N 424.526 4.044 50 50 HIGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)cc2Br)c1 32620528 IFPVHQHMOWXCOK-QPEQYQDCSA-N 417.259 4.108 50 50 HIGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 4709630 HNCAILZBNKIXIS-GOSISDBHSA-N 410.430 4.100 50 50 HIGA N#C[C@@H]1[C@H](Br)[C@H](Br)c2ccccc2N1C(=O)c1ccccc1 230020133 HPICDMIZFLELMV-OAGGEKHMSA-N 420.104 4.439 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1435091 GQXVSNGXKDFRBS-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc2c(c1)OCO2 4210055 DESWLTFFOLTDSA-WYMPLXKRSA-N 422.824 4.052 50 50 HIGA COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccccc3F)c2)cc1 15934165 SXMUPPSOINYQCC-YSMPRRRNSA-N 405.429 4.241 50 50 HIGA Cc1scc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1-c1ccccc1 2736105 USKNSQFNNLXJLZ-ZVBGSRNCSA-N 409.423 4.124 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C\c3ccncc3)c3ccccc3n2)c(OC)c1 32566506 ZOKCXAIFMCPOOQ-YSMPRRRNSA-N 412.449 4.078 50 50 HIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)c1 4210227 WBNZPJDFJHQHTA-PFFUAXQRSA-N 400.434 4.078 50 50 HIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2)cc1 4260986 UUFXTIFLDGINQY-MFKUBSTISA-N 414.417 4.425 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)c(OC)c1 5402676 NCJIXAMJSWQPPB-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA Cc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 2327386 BVEJQGKMCKOZJT-RGVLZGJSSA-N 414.581 4.381 50 50 HIGA Cc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 2280261 FFDAZPFQLUDUTR-RGVLZGJSSA-N 414.581 4.381 50 50 HIGA CCOc1ccc(OCC)c([C@H]2[C@@H]3CCCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19299993 DRMYADUFVVNMOX-XMSQKQJNSA-N 402.498 4.468 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 4210133 WQNLYQIFAMNEMH-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(Br)cc1 17093830 HBZFDCNFCZGTIR-UHFFFAOYSA-N 424.389 4.009 50 50 HIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1 800669 NKGIXVQVTBNRAU-NRFANRHFSA-N 420.444 4.053 50 50 HIGA N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NCc1ccccc1 15012890 CUKONOKRZOUROS-XKZIYDEJSA-N 412.445 4.187 50 50 HIGA N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(N)=S 2890523 KUGYTXRUNHGCEO-QPEQYQDCSA-N 418.272 4.129 50 50 HIGA O[C@H](CBr)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1 22341785 DXGPUJNXMBUWDQ-MRXNPFEDSA-N 422.326 4.348 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2505897 HOILZGJPHQOKBB-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126180 YILYWLJYWWAKHB-BUVRLJJBSA-N 411.421 4.416 50 50 HIGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 5402624 VWNXQTHFHXKUSX-ZVHZXABRSA-N 401.470 4.419 50 50 HIGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(OC)cc2)c(O)c2ccccc21 299738336 XGDTXCWPJWBRRY-PCLIKHOPSA-N 421.497 4.060 50 50 HIGA CC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)c2ccncc2)c(C(C)C)c1 651782 LLWDLGHJQJBYPB-UHFFFAOYSA-N 403.548 4.075 50 50 HIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)cc1 4231830 NWDPBBFXYPGBKL-JBYWANHTSA-N 419.506 4.225 50 50 HIGA O=C(N/N=C/[C@H]1CC=CCC1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 5902375 FZTOOVOBYZMADH-XHCMJAMOSA-N 413.403 4.487 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Cl)cc1 2573253 XQKFHMXXFRHBHU-ZMOGYAJESA-N 424.840 4.037 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(F)c(F)c1 1775977064 VXGQNTGIHPIDNQ-LJQANCHMSA-N 410.401 4.464 50 50 HIGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 1091624 AZTHCEKPODRVKS-WOJGMQOQSA-N 415.449 4.377 50 50 HIGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229830 LSIYFMMNSYPYHX-DGNUSTFISA-N 414.461 4.468 50 50 HIGA O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1cccc(Br)c1 8443236 ZUWFZUWFRBZXFU-MOSHPQCFSA-N 419.222 4.432 50 50 HIGA CC#C[C@@H](O)C[C@H]1C=CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833791 YKVVGXJVUXWZNB-TZBSWOFLSA-N 404.626 4.282 50 50 HIGA CCSC1=C(C#N)[C@H](c2cccs2)[C@@H](C(=O)Nc2ccccc2C)[C@](C)(O)N1 239433528 XWBLZIHEZCRFMH-LQWHRVPQSA-N 413.568 4.195 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4210608 MQSHGBYLMDKQMG-MFKUBSTISA-N 402.450 4.052 50 50 HIGA CSc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)cc1 32565747 JONNGVVALREZFR-OCKHKDLRSA-N 413.724 4.354 50 50 HIGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NNC(=S)Nc3ccccc3)[C@@](C)(O)CC[C@H]12 245253537 GRHLQFYSWBUOFY-FKKSXTGDSA-N 417.619 4.388 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1C 4261255 TZGVVODVFDLKMU-CVKSISIWSA-N 416.477 4.360 50 50 HIGA C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 8214361 UVNHKOOJXSALHN-ILQPJIFQSA-N 418.486 4.109 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(F)cc1 1293899 LQWQSFQCOZRITD-AFUMVMLFSA-N 418.497 4.466 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542482 HRGCCFFOAKUNKB-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cn3nc(C)cc3C)c2)cc1 17090632 UDKNPZBGCNRLMZ-XDHOZWIPSA-N 416.481 4.111 50 50 HIGA CC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 39204569 SXRLPRKYTRWOES-OTRLCWIBSA-N 402.575 4.392 50 50 HIGA biogenic,in-vitro O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1020976 SKLBRFIQUIHWLV-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 4210035 CFZWGSVWJDJCJA-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C 1156231 VTVAUJGYOLPALJ-QFIPXVFZSA-N 422.456 4.276 50 50 HIGA Cc1cc(C)c([Si](O)(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1 169818591 ACKJGVYOHAJVAD-UHFFFAOYSA-N 402.654 4.422 50 50 HIGA O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1Cl)c1cc(O)cc(O)c1 13321577 IRMFFHPTNBXNRO-BHGWPJFGSA-N 414.820 4.233 50 50 HIGA N#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1c(F)cccc1Cl 4751276 TUZZAIROFJRWNO-MRXNPFEDSA-N 408.845 4.253 50 50 HIGA CCOc1ccc(/C(C)=N/NC(=O)c2[nH]nc(-c3ccc(OCC)cc3)c2C)cc1 5296526 CMRNLZGMKLYFGU-LFVJCYFKSA-N 406.486 4.337 50 50 HIGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OCc1ccccc1 4366028 RKVNZGRHBMPQFC-MFKUBSTISA-N 404.466 4.112 50 50 HIGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1ccccc1 4372752 GKXQOQOFAKOHIW-MFKUBSTISA-N 404.466 4.112 50 50 HIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CC[C@@H](n1cnc3c(O)nc(N)nc31)S2 169836022 ZEMORXRSJCJWKH-QHRIQVFBSA-N 421.643 4.453 50 50 HIGA Cc1cc(C)c(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(C)c1 4229852 JVBKUEMYTDUSBD-YSURURNPSA-N 413.930 4.360 50 50 HIGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccco1 4599755 JWPQWDZJGIGVGY-LFVJCYFKSA-N 404.495 4.310 50 50 HIGA COc1ccc(/C=N\NC(=O)c2cccs2)cc1COc1ccc(F)cc1F 32573536 JRARTDJPDGOWIZ-KSEXSDGBSA-N 402.422 4.378 50 50 HIGA N#CC1=C(N)Oc2c(/C=N\c3ccccc3)ccc(O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 12375819 OBWKMZMGHCDSOA-SNWZXBDOSA-N 412.405 4.269 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 690800 JSZBOZOPINBCGY-HTAPYJJXSA-N 418.928 4.310 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 31723752 UHBUVJUXBXFJHB-OYKKKHCWSA-N 407.857 4.365 50 50 HIGA CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2ccc(-c3ccncc3)cc2)cc1 1875259979 BGWPBAZCZWEDNP-UHFFFAOYSA-N 402.498 4.190 50 50 HIGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344754 SPKKKIUYWACOIQ-DTFYZADVSA-N 419.506 4.307 50 50 HIGA CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 12382995 UGVJMHIXULORKR-QRVIBDJDSA-N 420.425 4.067 50 50 HIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5125806 ZYAVHKJPOFYPGS-ZMOGYAJESA-N 411.421 4.001 50 50 HIGA C[C@H](Nc1cccc(Cl)c1)c1nnc(SCC(=O)NN=C2CCCCC2)n1C 6763635 JEWCJAMPNNJLQH-ZDUSSCGKSA-N 420.970 4.170 50 50 HIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C 1156232 VTVAUJGYOLPALJ-JOCHJYFZSA-N 422.456 4.276 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)cc1 2597722 RPSSMBXXPGJAPC-AFUMVMLFSA-N 406.413 4.126 50 50 HIGA COc1ccc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccoc3C)c2)cc1OC 4647082 FQYCUQSDNFVSKL-QFEZKATASA-N 421.453 4.012 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)c1 17015582 CAFGVHGUKSCEJC-ZVHZXABRSA-N 406.486 4.056 50 50 HIGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccccc1 4365898 YUUWWSQIOOOKLX-MFKUBSTISA-N 404.466 4.112 50 50 HIGA C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 8689991 RKFMSVAVRCLQON-XDHOZWIPSA-N 422.304 4.131 50 50 HIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 43761104 VTEYULDZGBULSO-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 673584 NLVYXUSXGODAPD-WYMPLXKRSA-N 410.861 4.416 50 50 HIGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@H]2C1 705038 VZASTQWZNFOZOM-FUHWJXTLSA-N 412.324 4.127 50 50 HIGA COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1ccc(Cl)cc1 2571721 XDODJTUHOLJQRM-WSDLNYQXSA-N 414.870 4.393 50 50 HIGA C[C@H](O)CN1CCN(Cc2cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s2)[C@H](C)C1 253424489 GVXRSMNZKZWCCT-IXDOHACOSA-N 413.704 4.113 50 50 HIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 71775011 JLDKULRUVIFKHP-KOEQRZSOSA-N 402.450 4.459 50 50 HIGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc(C)s3)c2)cc1 5795627 AMZNZJUGMBZYGH-BUVRLJJBSA-N 407.495 4.471 50 50 HIGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 17088672 SBGCLFBSDPMXFM-VXLYETTFSA-N 410.655 4.094 50 50 HIGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5125804 IBRWPNABFZCLIV-OEAKJJBVSA-N 402.479 4.481 50 50 HIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 3097442 MYGVBMBBOFILDU-MFKUBSTISA-N 402.450 4.052 50 50 HIGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)Nc1ccc(Cl)cc1 6399954 DKCIDMAQGJAUCU-UHFFFAOYSA-N 412.342 4.479 50 50 HIGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 9014238 IRLBTGLEPSCKOE-MFKUBSTISA-N 412.449 4.125 50 50 HIGA N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1190977 GXLSRWDZAVDNOH-JLHYYAGUSA-N 416.915 4.087 50 50 HIGA CCc1cc(C(=O)Nc2ccc(/C(C)=N\NC(=O)Cc3ccc(O)cc3)cc2)cs1 13322033 GLQPKHSHVCLOGB-MYYYXRDXSA-N 421.522 4.351 50 50 HIGA O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2892377 AZPDRUXBQXMPCS-GZIVZEMBSA-N 419.095 4.067 50 50 HIGA COc1ccccc1/C=N/NC(=O)c1cc(-c2c(OC)ccc3ccccc23)n[nH]1 4677990 DCOFIJSWDZPQIB-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA CCCCCCOc1ccc(C(=O)NNC(=O)Nc2ccn(-c3ccccc3)n2)cc1 1311027990 UWEJGMXTNLCHGW-UHFFFAOYSA-N 421.501 4.298 50 50 HIGA N#C/C(=C\n1cccc1-c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(N)c1C#N 15659828 UWIHASLYVHUFNW-BMRADRMJSA-N 421.420 4.225 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1 2597498 LHGLFISNMLHGQY-NRFANRHFSA-N 400.438 4.208 50 50 HIGA N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1cccs1 17089466 XUHMVOPZKBITNS-JYRVWZFOSA-N 413.300 4.124 50 50 HIGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 32593047 BBISLODZJZZIJN-WGARJPEWSA-N 421.884 4.430 50 50 HIGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1022669 JJLLXCVRNOEZJI-IBGZPJMESA-N 410.399 4.405 50 50 HIGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1COc1ccc(F)cc1 2768145 ZYJATZKKXAYIGK-QFIPXVFZSA-N 420.440 4.228 50 50 HIGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 659456 WDHCHKATFSMELE-WSDLNYQXSA-N 413.817 4.113 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1c(Cl)cccc1[N+](=O)[O-] 1117266 MNVDJUWDRYPEMN-ORAYPTAESA-N 421.840 4.457 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1 2553104 WMOWIWTVQWCUBR-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA C/C(=N\NC(=O)c1cc(Br)cc(Br)c1O)c1ccccc1 4990351 OGQWVUKDMRVJID-GIJQJNRQSA-N 412.081 4.071 50 50 HIGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccc(Cl)cc1Cl 17091370 VONCPEBROWFOOJ-UHFFFAOYSA-N 418.346 4.384 50 50 HIGA CCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 17081904 OOSYKRZULCPWHL-XSFVSMFZSA-N 400.482 4.040 50 50 HIGA CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1 1142365 PTMHENNPZPCKBP-LJQANCHMSA-N 421.522 4.104 50 50 HIGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4258660 UOAWZUFUHYANCB-HZHRSRAPSA-N 406.463 4.296 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 5353306 OWLUGJDEWPXPIL-ZMOGYAJESA-N 418.888 4.297 50 50 HIGA CC(=O)c1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1 2855451 IZIUMWCRSKXAGU-WOJBJXKFSA-N 409.555 4.308 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1C 4282198 KXKLGUKWNZHAQA-YDZHTSKRSA-N 408.479 4.113 50 50 HIGA Br[C@@H]1C[C@@]23CC=CC[C@]2(C=CC2(C3)OCCO2)C[C@H]1Br 257355629 BTQRQVYPQFPFPX-APIJFGDWSA-N 404.142 4.333 50 50 HIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1 946659 ONVUXJMWOJWYBF-VXLYETTFSA-N 419.304 4.063 50 50 HIGA CC1CCC(=NNC(=O)c2cc(Br)cc(Br)c2N)CC1 4231484 OXWKQMVITGSMOG-UHFFFAOYSA-N 403.118 4.090 50 50 HIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4261102 FSBPYCKNGFBDIB-OEAKJJBVSA-N 408.479 4.059 50 50 HIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)c1O 1247812 XDMTZNLEIAOJFE-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1 2542745 DNZBWDNNPNANRC-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA NC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12 2530167 MJBWHABQXFEJHF-AUEPDCJTSA-N 402.237 4.368 50 50 HIGA CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 5050776 XKFCEHZBTLDHPI-ATVHPVEESA-N 411.417 4.116 50 50 HIGA N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Br)cc1 4758043 VHYZTVGMFQOHJR-WJDWOHSUSA-N 414.259 4.258 50 50 HIGA CO[C@@H](C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 4209287 RTEBSQMCZJKAQR-JAMLUQCHSA-N 422.868 4.397 50 50 HIGA CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1 1213449 LRFWVWRQGHHKSQ-PCLIKHOPSA-N 404.466 4.437 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nc2ccccc21 730035 JNIAEYBEIWSNJW-YDZHTSKRSA-N 404.495 4.157 50 50 HIGA O=C(N/N=C/c1ccc2ccccc2c1)c1cccc(I)c1 2821240 UFOWYGFYLOABDD-UDWIEESQSA-N 400.219 4.208 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)[nH]n2)cc1OC 5352211 PDUYKVZMQQGZMK-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1 1193685 BCUGQEOEWTUERZ-BUVRLJJBSA-N 400.507 4.327 50 50 HIGA O[C@H](COc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101010967 CGRWJLBHCCIIGA-HSZRJFAPSA-N 413.477 4.420 50 50 HIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 3008824 WBROBOMQZGAMHW-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NS(C)(=O)=O)cc1 17092853 WOAPEDLZEIQSGF-RGVLZGJSSA-N 421.931 4.080 50 50 HIGA CCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 100731387 MYGOBLCSNUEGRK-ZVHZXABRSA-N 411.889 4.315 50 50 HIGA O=C(COc1cccc(Br)c1)N/N=C/c1cc2ccccc2nc1Cl 4209607 GMWMFCIQYSJASK-UFFVCSGVSA-N 418.678 4.180 50 50 HIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(Cl)c(C)c2)o1 2769501 PETQZIKYBRDRRZ-IBGZPJMESA-N 414.845 4.075 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1OC 1445499 BUUSCKOGUFSPNA-QFIPXVFZSA-N 419.456 4.148 50 50 HIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc(I)c1 2848797 VRFXJJYNIINXGE-QGMBQPNBSA-N 419.049 4.362 50 50 HIGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(Br)s2)n[nH]1 4678056 CTNRMOGXPQACJN-XLWYYFMFSA-N 401.289 4.330 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(Br)cc1 1430516 CJBFYLGDPHKUFX-OAHLLOKOSA-N 411.280 4.242 50 50 HIGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CCC3)cc1 705633 PLROAWPSFRWENG-QHCPKHFHSA-N 415.493 4.399 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C(F)(F)F)[nH]n2)cc1 5297757 BBHPOSAPXYPUAP-WYMPLXKRSA-N 402.376 4.258 50 50 HIGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc(Br)cc1Cl 6829459 NEWITKRWPCRPOS-UHFFFAOYSA-N 412.740 4.053 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1 4708633 DVMXMGPKRQGTGN-LJQANCHMSA-N 406.467 4.270 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 43761074 MERNLDNNWJGHMZ-AFUMVMLFSA-N 422.868 4.470 50 50 HIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1c(Cl)cccc1Cl 2552857 XALBTLQHARVDJZ-QPJQQBGISA-N 419.095 4.180 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1O 1193280 QYWPIEGNAPREKQ-ZVHZXABRSA-N 416.506 4.033 50 50 HIGA N#CC1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@H]1c1c(F)cccc1Cl 4751275 TUZZAIROFJRWNO-INIZCTEOSA-N 408.845 4.253 50 50 HIGA Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)c1cc(O)cc(O)c1 13321569 ZNSOPMKGSNHTFW-WYMPLXKRSA-N 410.857 4.403 50 50 HIGA Cc1cc(C)cc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c1 6399876 XITQFEMGEVADEB-UHFFFAOYSA-N 411.955 4.347 50 50 HIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1 102294245 MEXAMXNQBJYRHR-HYARGMPZSA-N 410.356 4.156 50 50 HIGA Cc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c1 659808 BLZRVQCWCKLCIM-UHFFFAOYSA-N 405.454 4.122 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 1469011 OGQXLMDPRQVYNK-HZHRSRAPSA-N 421.457 4.174 50 50 HIGA O=C(NNC(=S)Nc1cccc(Cl)c1)c1cccc(OC(F)(F)C(F)F)c1 2794425 AYYVTYIKCFQUMR-UHFFFAOYSA-N 421.803 4.208 50 50 HIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(F)cc1 1132544 ZSTHFPUUZWIPHR-HNNXBMFYSA-N 411.234 4.196 50 50 HIGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1COc1ccc(F)cc1 2768146 ZYJATZKKXAYIGK-JOCHJYFZSA-N 420.440 4.228 50 50 HIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 707169 RQDMUDAABHUWJL-OAQYLSRUSA-N 419.868 4.373 50 50 HIGA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCBr 44125584 UOXIXBPSDWZPAQ-UHFFFAOYSA-N 401.304 4.047 50 50 HIGA COc1cccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3cccc(F)c3)c2)c1 5612503 ACDXHTHLVXLCKU-YSMPRRRNSA-N 405.429 4.241 50 50 HIGA CC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 1875390505 CQSIVDZWZNZSAM-SWPVVBRQSA-N 402.952 4.261 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1OC 1888564 PBRNTFPPXSTTFQ-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccc(F)cc1 2853336 HQVHHFRHGFUCOS-UHFFFAOYSA-N 400.237 4.144 50 50 HIGA C/C(N)=C(/C#N)C(NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 12342739 QOBDBRARLPRXCM-RMKNXTFCSA-N 420.140 4.343 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2505898 FBTBWIDOZHZWEP-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210885 PZCRJXAABPMRTE-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCOc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)ccc1O 225439927 XLMHYFAASXCWQI-CIAFOILYSA-N 401.513 4.033 50 50 HIGA CC(C)(C)c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 1200053 RDWCEZIWUWOJOY-UFFVCSGVSA-N 403.276 4.239 50 50 HIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 2543065 SADSHKKBKWAIHA-WYMPLXKRSA-N 422.824 4.052 50 50 HIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OCC 718402 ZAZKLLSRKOQSMH-LJQANCHMSA-N 420.444 4.231 50 50 HIGA O=C(NNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 951642 IUEJMQKWBCTMKH-UHFFFAOYSA-N 403.063 4.222 50 50 HIGA Cc1nnc(NNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)nc1O 817281871 ROSHQUBFGMWDGF-UHFFFAOYSA-N 422.448 4.011 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 2529665 YPFQWNOILAYUJY-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 1205688 BFZOMBHGCGQPLU-ZMOGYAJESA-N 418.888 4.297 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(F)cc1F 1775964736 APBHQJGVLQQDDQ-LJQANCHMSA-N 410.401 4.464 50 50 HIGA CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2784366 GQGLZQRELMYJLT-HCBMXOAHSA-N 406.738 4.343 50 50 HIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1430519 CCKDVZQOUAOUBJ-HNNXBMFYSA-N 400.381 4.498 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1 731313 LFNKLRKMCYILIE-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2521831 GDRMHBSZGIRNJW-LSFURLLWSA-N 421.671 4.284 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372637 QKEBOKZHWUIYSL-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Br)c1 16133988 IYZREJCGMKCEDM-UUYOSTAYSA-N 413.271 4.140 50 50 HIGA COc1ccc(Br)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 16675957 GVKHALYLJVHNNC-NTEUORMPSA-N 420.270 4.161 50 50 HIGA IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100013409 YYFJLPYBGFLXOF-UHFFFAOYSA-N 403.223 4.373 50 50 HIGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1097782 YUAKYKDASKWKSY-GOSISDBHSA-N 414.465 4.145 50 50 HIGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)c1)C2 2069938 MCEIGZQHGVMORT-LGJNPRDNSA-N 413.477 4.286 50 50 HIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126182 AMCNAFPAUOAHCQ-BUVRLJJBSA-N 411.421 4.416 50 50 HIGA Cc1cc2c3c(c1C)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 814355 YWOLAHMVVJUZAZ-CANCMXDXSA-N 415.493 4.014 50 50 HIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Cl)s2)n[nH]1 1894474 SSLDNVOWDWYVDJ-QGMBQPNBSA-N 409.696 4.318 50 50 HIGA CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2Br)cc1 2801520 SJCGYRMGNLGSSM-FYJGNVAPSA-N 405.292 4.157 50 50 HIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 8818029 YBJYBICABLEQTF-CIAFOILYSA-N 413.275 4.002 50 50 HIGA CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 2901555 FPGSJRAMAGGJRH-FYJGNVAPSA-N 405.292 4.157 50 50 HIGA Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(C)c1Cl 3961386 MJHDVULYBGGQFV-UHFFFAOYSA-N 401.677 4.104 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(Cl)cc1 4360057 SSFUXHKTMZFBAF-DHRITJCHSA-N 409.873 4.477 50 50 HIGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccccc2O)nc2ccccc12 5776926 BVGOSRKRQUAMIE-DHRITJCHSA-N 411.417 4.100 50 50 HIGA O=C(CCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 4402220 SNVVVSPSWNSZAL-RFGNFQCKSA-N 402.498 4.178 50 50 HIGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1sc2ccccc2c1Cl 409415716 ZVHQDTRQDFFUHE-SSDVNMTOSA-N 410.886 4.106 50 50 HIGA O=C(N/N=C/C=C/c1ccccc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 5073472 HUJFZTFDQCBSKL-YAZGOYCQSA-N 401.491 4.334 50 50 HIGA Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 5590271 FJSIWNGCFGAXEP-GOSISDBHSA-N 406.467 4.270 50 50 HIGA COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 13800447 OZARRBZDVDYROA-HMAPJEAMSA-N 413.477 4.104 50 50 HIGA C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 15745702 BDFBOQYSKYLEQG-GDNBJRDFSA-N 411.255 4.015 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775977061 VXGQNTGIHPIDNQ-IBGZPJMESA-N 410.401 4.464 50 50 HIGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1 4360537 IBWSUEZKTQLXRJ-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 4758986 HZWIRKJZYTVJMN-WJDWOHSUSA-N 414.259 4.258 50 50 HIGA C/C(N)=C(\C#N)C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 111661301 TZPPYVYENMOOTG-PJTYQQEGSA-N 406.526 4.010 50 50 HIGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(C)=O 4844754 GOKQGHMDCQZPRY-NTUHNPAUSA-N 412.243 4.323 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1OC 5033410 TWOWJMKPNBCGKJ-AFUMVMLFSA-N 422.529 4.049 50 50 HIGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)c2cccc(C)c2)c1 8453980 RXLPKIUKTZWMIM-AFUMVMLFSA-N 423.904 4.097 50 50 HIGA COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1I 5042142 FMGFJOARXWKCIE-WQLSENKSSA-N 401.207 4.240 50 50 HIGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)C(F)(F)F)cc1 1200141 VFVSYNUWWATAOS-ZRGSRPPYSA-N 415.371 4.200 50 50 HIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4230161 KDOSONPSSZWGSR-WGOQTCKBSA-N 416.477 4.306 50 50 HIGA N/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472588 XQVKUJHKUZSIJV-YYADALCUSA-O 423.476 4.168 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 4746400 RDGOAUGGYFUWHG-ZVHZXABRSA-N 401.470 4.419 50 50 HIGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2100053 DXQHVZVFSUYGGH-WSDLNYQXSA-N 408.285 4.261 50 50 HIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2568802 YRTXBDXYTPAKMN-IFRROFPPSA-N 405.068 4.389 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 1903907 DKELHRYLMRJVIM-QGMBQPNBSA-N 406.876 4.100 50 50 HIGA Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1cccc2ccccc12 4469931 YDOHRYHKDCMCRJ-JJFYIABZSA-N 407.271 4.322 50 50 HIGA CCCc1n[nH]c2c1[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3C)o1)C(C#N)=C(N)O2 1108979 CZEHGCMFBGGZFR-SFHVURJKSA-N 405.414 4.057 50 50 HIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1Br 2521754 XILISIIMEIHBAP-UFWORHAWSA-N 402.075 4.285 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)/C=C/c1ccccc1 2553172 WSUMLOQAYLGSIJ-AROWNJAOSA-N 414.461 4.386 50 50 HIGA C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 4948959 IJZOOBWDCSQXHY-HYARGMPZSA-N 404.382 4.324 50 50 HIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(Cl)c1Cl 6237980 NRLOZIGJOVZLQG-BHGWPJFGSA-N 400.265 4.027 50 50 HIGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1COc1c(F)c(F)cc(F)c1F 17092125 RWWZXHZINDYGKK-WUXMJOGZSA-N 420.362 4.016 50 50 HIGA O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cc(O)cc(O)c1 20495179 PAFHMKSYNZXNSP-BRJLIKDPSA-N 403.413 4.004 50 50 HIGA CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Cl)ccc2oc1=O 252678314 DPSMONZTOHVKCP-UHFFFAOYSA-N 406.825 4.459 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(F)cc1F 1775976022 IHEGKVHBPFQQNR-NRFANRHFSA-N 404.372 4.402 50 50 HIGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1 2309082 JKNXPHXRAAETLP-LDADJPATSA-N 403.413 4.477 50 50 HIGA C=CCc1cccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c1O 2898114 CCPLIWPTDIFPPL-KOEQRZSOSA-N 402.450 4.055 50 50 HIGA BrC[C@@H](Br)CC[C@@H](Br)CBr 100076807 WPBWUVCMCYXPFI-OLQVQODUSA-N 401.762 4.083 50 50 HIGA CC(C)(C)OC(=O)NN(Cc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2379287 DBKGHZWVUDFAFJ-FQEVSTJZSA-N 409.486 4.106 50 50 HIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2566870 YMRYUSDYKYSKRV-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210079 PFLUPJRZJCTONP-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)c1 4711302 OSPJZLKLQJKTOE-GDNBJRDFSA-N 414.303 4.459 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[nH]n2)c(OC)c1 5402699 SUEYAMKBXFHTLX-ZVHZXABRSA-N 406.486 4.155 50 50 HIGA CC(C)c1ccc([C@H](CNC(=O)c2snc3ccccc23)NC(=O)CCl)cc1 1875386603 VEQVRZGGGJHBHU-SFHVURJKSA-N 415.946 4.246 50 50 HIGA N#C/C(=C\C1=Cc2ccccc2OC1)S(=O)(=O)c1ccc(Br)cc1 1131018 NFNFNIKYNNTTIF-LICLKQGHSA-N 402.269 4.106 50 50 HIGA CCCCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 2070914 AYDIKQVKBREPHL-QGZVFWFLSA-N 401.488 4.450 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1F 1300910 NNIMWYPPTZRWKJ-AFUMVMLFSA-N 418.497 4.466 50 50 HIGA Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 2542335 ZFLLVTPAKBCDBF-OAQYLSRUSA-N 415.453 4.031 50 50 HIGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(OC)c(N4CCCC4)cc3OC)nc2c1 5028301 LVKBBBWYJQVDHY-YBEGLDIGSA-N 404.470 4.253 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690802 JSZBOZOPINBCGY-VGSWGCGISA-N 418.928 4.310 50 50 HIGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccccc1F)OCO3 1126998 XYFHOWFXZUZXHP-QHCPKHFHSA-N 416.408 4.352 50 50 HIGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 2521223 WDBVODMEHXWFKC-FKBBHNOXSA-N 414.461 4.007 50 50 HIGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cnccn1 4282836 GQUDSPOMBWFBAP-UVHMKAGCSA-N 400.413 4.112 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1OC 5317356 GSZYNBUCBANSKO-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4261113 XPIFMMQRUPDRIM-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/C(Cl)=C/c3ccccc3)[nH]n2)cc1OC 5352177 MMFXEPDITXMYIL-AUZYXHAQSA-N 410.861 4.089 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 690996 MUHSQUVXMCFMFN-ZHRRBRCNSA-N 418.928 4.310 50 50 HIGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 19833953 MZUDXLYARLKFLE-VULFUBBASA-N 424.460 4.340 50 50 HIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4302801 QQBQVLLJJPHSMZ-HIQXPHMNSA-N 419.437 4.091 50 50 HIGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 713588 WESMWQVMYHWYDF-JOCHJYFZSA-N 414.465 4.462 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1 2542708 XLMDGLOPOHYMAE-MFKUBSTISA-N 406.413 4.208 50 50 HIGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 2841799 FZAWHHFNCLCWFV-FQEVSTJZSA-N 419.872 4.011 50 50 HIGA N#Cc1ccc(NNC(=O)c2ccc(F)c(Br)c2)c(C(F)(F)F)c1 799747229 SXCNJEQMEPEGAA-UHFFFAOYSA-N 402.145 4.236 50 50 HIGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)c1 1233646 GIVCMWRBUURXNL-OAKZWBAKSA-N 404.466 4.192 50 50 HIGA C=CCc1cccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)c1O 9320372 XSDQXNWHJAQXHP-AFUMVMLFSA-N 404.514 4.076 50 50 HIGA CSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100818408 KFPFRPJFVVAPFE-UHFFFAOYSA-N 408.458 4.485 50 50 HIGA CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 2958600 ZTIYEQBVOQCKML-HDAKKWKLSA-N 408.498 4.449 50 50 HIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 4282102 WNFWMIVAGWTDHE-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA CCOc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 4372732 BSZSJUSAVSRVFP-PCLIKHOPSA-N 404.466 4.193 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccc(Cl)cc1 32540525 OHGVDXMKFQVLGJ-FQEVSTJZSA-N 422.872 4.177 50 50 HIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccnc4)[nH]n3)cc2)cc1 9334816 PUEOXCHVUWRLNU-CVKSISIWSA-N 411.465 4.123 50 50 HIGA O=C(CSCc1ccccc1)NNC(=S)Nc1cccc(Cl)c1Cl 2851222 DBFWFFOOWIGBFY-UHFFFAOYSA-N 400.356 4.244 50 50 HIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 2519884 OXYAWZQRZUIVFY-PCLIKHOPSA-N 418.449 4.164 50 50 HIGA COc1cccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)c1 32650009 GIVCMWRBUURXNL-NAHYFOQLSA-N 404.466 4.192 50 50 HIGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 628045 ZTTVYYRLMCILKD-SFHVURJKSA-N 407.271 4.161 50 50 HIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1Br 1027749 TYIAKDMLCZVEKD-UFWORHAWSA-N 402.075 4.285 50 50 HIGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(Br)cc2)[nH]n1 5402824 HTNJMORIPHBDRN-CIAFOILYSA-N 413.275 4.002 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccccc1 25763368 JBWFCUSJYVUZMQ-OEAKJJBVSA-N 407.543 4.331 50 50 HIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 2584815 KWBKSURHYQKIQU-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)s1 15990141 HVDQUMCITXTNSA-WSDLNYQXSA-N 404.499 4.013 50 50 HIGA CC(C)[C@H]1CC[C@]2(C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3[C@H](C[C@@H]4O[C@@H]4CC34OCCO4)[C@H]12 169832697 CRXATEOSHIWJGB-YEYKIUSRSA-N 422.638 4.014 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5009420 VXNQLAWGJIDSAH-CVKSISIWSA-N 410.477 4.491 50 50 HIGA Cc1ccc(-c2c(C(=O)NNC(=O)Nc3ccc([N+](=O)[O-])cc3)csc2C)cc1 5041282 QHUCRQMWKSSZMI-UHFFFAOYSA-N 410.455 4.407 50 50 HIGA O=C(CCCCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl 1681402 VMTCNNITCITFOD-RNIAWFEPSA-N 419.312 4.154 50 50 HIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccccc2Cl)n[nH]1 4312428 RITDNGGFIJIBRR-KEBDBYFISA-N 403.667 4.257 50 50 HIGA C/C(=N\NC(=O)Cc1ccc(O)cc1)c1ccc(NC(=O)c2ccc(C)cc2)cc1 13322007 WCIZEJUKXCIGKO-YZSQISJMSA-N 401.466 4.036 50 50 HIGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21 299738212 JVSFZVZVUKBGCP-MFKUBSTISA-N 409.461 4.190 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1O 2513437 LLUATBRKXHOBDM-MFKUBSTISA-N 404.466 4.442 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1 5588292 LHGLFISNMLHGQY-OAQYLSRUSA-N 400.438 4.208 50 50 HIGA CC1=[N+](Cc2ccccc2)[B-](c2ccccc2)(c2ccccc2)N[C@@H](C(Cl)Cl)C1 1776111197 FXZFFSOOELOYJF-HSZRJFAPSA-N 423.196 4.082 50 50 HIGA IC[C@@H]1CN=C(N(Cc2ccccc2)Cc2ccco2)S1 690323 LLBJQRBRQZLNRQ-OAHLLOKOSA-N 412.296 4.188 50 50 HIGA Cc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1068064 MPASULSDFXCWIB-SFHVURJKSA-N 412.428 4.133 50 50 HIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 1210096 PHPKBBGFDGGLCV-NHVVDLMHSA-N 410.477 4.031 50 50 HIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 4335657 VCAKBLGCANWPDM-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA COC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 17092884 ZJHGCDMZHJYAQC-GZTJUZNOSA-N 422.282 4.441 50 50 HIGA O=C(NNc1cnc2ccccc2n1)c1cc(-c2cccs2)n(-c2ccccc2)n1 774778812 FYNXKGGMPGFTER-UHFFFAOYSA-N 412.478 4.301 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(C)cc1 648620 AXYJCDGOWBBCOJ-HSZRJFAPSA-N 416.477 4.397 50 50 HIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 946280 RJGWEEVFFYUMQM-CVKSISIWSA-N 410.477 4.491 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1ccc(Cl)cc1Cl 13482268 WYQGCAXPUYCWJY-AUEPDCJTSA-N 419.268 4.068 50 50 HIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2571843 QTYYQJIIZRRCKO-IFRROFPPSA-N 405.068 4.389 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(F)cc1F 1775964734 APBHQJGVLQQDDQ-IBGZPJMESA-N 410.401 4.464 50 50 HIGA N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(F)c(F)c1 1775975371 HXVKNKPDDGZZKL-OAQYLSRUSA-N 404.372 4.402 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1469147 YBFMNNLNHFWXGT-HZHRSRAPSA-N 405.458 4.337 50 50 HIGA CCc1ccc2c(Cl)c(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)sc2c1 17091247 YEJRIIFXDAWULT-UHFFFAOYSA-N 417.874 4.312 50 50 HIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1Cl 4282567 QIGZUMAOVYCSAB-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1 6784273 MSARXJDVNSVWDB-CIAFOILYSA-N 413.275 4.002 50 50 HIGA CCOc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1O 1226761 JMZYRAHSDJXLGT-WATSXHCISA-N 400.478 4.247 50 50 HIGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O1 752644 QYPRHVJIENRALG-HNNXBMFYSA-N 409.255 4.013 50 50 HIGA O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1cccc2ccccc12 1188069 RWENPGWEGKHKDY-FXZATJRASA-N 424.456 4.243 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2506347 SCRXVVXLHIUVJX-YDZHTSKRSA-N 423.812 4.231 50 50 HIGA COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1 37246196 OQRJDYLGEACLNB-OYKKKHCWSA-N 406.417 4.242 50 50 HIGA Cc1c([C@@H]2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cnn1C 2762046 CCTWPQFVBZATFG-FQEVSTJZSA-N 421.932 4.323 50 50 HIGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccnc2)c1 673022 CXOQQEMZMITNCE-CVKSISIWSA-N 406.873 4.070 50 50 HIGA Cc1cc(C)c(OCC(=O)N/N=C/c2ccc3cc[nH]c3c2)c(C2CCOCC2)c1 210512175 GKDSQRIJIGRMRV-VULFUBBASA-N 405.498 4.208 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OC)cc1 2542798 SJBCZCRREFNLNI-PCLIKHOPSA-N 424.497 4.344 50 50 HIGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 17088118 ZXRVFUKERMOJMW-ZROIWOOFSA-N 408.845 4.293 50 50 HIGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)c1 4139084 CLMQBVUFKIKYLU-OAQYLSRUSA-N 424.460 4.465 50 50 HIGA in-vitro O=C(NNC(=S)Nc1ccccc1)c1ccc(COc2ccccc2Cl)o1 17082294 QRSDGZUKMQTKNW-UHFFFAOYSA-N 401.875 4.143 50 50 HIGA Cc1scc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)c1-c1ccccc1 2857980 AJWUWRFMLLSCHF-UHFFFAOYSA-N 411.508 4.084 50 50 HIGA C[C@@H](Nc1cccc(Cl)c1)c1nnc(SCC(=O)NN=C2CCCCC2)n1C 6824303 JEWCJAMPNNJLQH-CYBMUJFWSA-N 420.970 4.170 50 50 HIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 4709168 JQTSRIDZPFFIMZ-SFHVURJKSA-N 410.430 4.100 50 50 HIGA Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3ccccc3Cl)c2)cc1 32603844 WLVIIKZTLCIFGX-WGARJPEWSA-N 421.884 4.430 50 50 HIGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)c1 5297321 FYMSGPJOSOUTKO-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA CCN(CC)Cc1nc(C2(NCc3ccc(OCCCCl)cc3)CCCC2)no1 408516907 VJIADTTVVZFEGL-UHFFFAOYSA-N 420.985 4.478 50 50 HIGA O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1COc2ccccc2O1 1226693 HRAQVNGFIUTOSB-ZDZUNBPVSA-N 416.355 4.256 50 50 HIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccco1 2321590 WZWVWOIWPXCRLG-QGMBQPNBSA-N 424.960 4.319 50 50 HIGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1471952 UWCLWDISUYEPTA-NRFANRHFSA-N 417.896 4.271 50 50 HIGA N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ccccc2s1 4755683 FIFSWXQWAAINEY-KAMYIIQDSA-N 407.476 4.268 50 50 HIGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)c1 2506289 KZVYFQRDAROLPK-MFKUBSTISA-N 402.450 4.052 50 50 HIGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc(C)c2)c1 5795950 RSXDPRAAUQYPOL-PCLIKHOPSA-N 416.437 4.310 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 15016794 OBJNBFASDDRQHQ-QFIPXVFZSA-N 422.444 4.250 50 50 HIGA Cc1ccc(/[S@](C)=N/S(=O)(=O)c2ccc(CCBr)cc2)cc1 3132690 WMHBXZMOURTDRQ-OAQYLSRUSA-N 400.363 4.112 50 50 HIGA CO[C@H](C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1ccccc1 4210173 PKJKJHXLQRQRNQ-LWNWMUOVSA-N 414.461 4.143 50 50 HIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4327383 WJAABYMPNRKCIJ-FBCYGCLPSA-N 402.621 4.084 50 50 HIGA COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c(OC)c1OC 5526793 MPLXNPYRRAYNGM-UFFVCSGVSA-N 404.875 4.344 50 50 HIGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 1071094 NFFQXSVLCIEODD-HXUWFJFHSA-N 404.401 4.039 50 50 HIGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 5653068 RXRUHIXTVBYTSG-WSDLNYQXSA-N 408.285 4.261 50 50 HIGA CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]13 245231507 FEPCMSPFPMPWJK-NYUQEWDHSA-N 400.515 4.212 50 50 HIGA biogenic Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNc3nc(O)c4ccccc4n3)c2c1 758298756 KURLRJXRTQSDIL-UHFFFAOYSA-N 422.448 4.011 50 50 HIGA Cn1cc(Br)c(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)n1 1091843 RSABGDHRGIYZIT-SSDVNMTOSA-N 407.271 4.253 50 50 HIGA C=CCn1c(-c2ccc(OC)cc2OC)cs/c1=N/NC(=O)Nc1ccccc1 2585101 HKDOJAYYYGDGGR-DARPEHSRSA-N 410.499 4.057 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)c1 4230027 HEFUBWVZYUNBPE-MFKUBSTISA-N 402.450 4.052 50 50 HIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cccnc2)c([N+](=O)[O-])c1 32666352 ACKQYAMQJXZJGH-CFRMEGHHSA-N 412.490 4.233 50 50 HIGA COc1ccccc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 685954 HSGKSHNJOJLCLM-NRFANRHFSA-N 400.482 4.031 50 50 HIGA CC(C)(C)c1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(C(C)(C)C)c1O 1881477 VUMMDPVTKSMCCS-ORBAKXMTSA-N 410.514 4.277 50 50 HIGA CCn1ncc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2cnn(CC)c2C)c1C 1009184 YHNRCYHIPWCINX-DCINASHKSA-N 404.518 4.066 50 50 HIGA CCc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 9331366 FNWCHWRGUANWGM-MFKUBSTISA-N 412.497 4.206 50 50 HIGA COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCc1ccc(Cl)cc1 624784 LCZKPZLUCTVCMS-UHFFFAOYSA-N 424.913 4.146 50 50 HIGA COc1cc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc(OC)c1OC 4751369 VZXOEOGJQGLIPD-HXUWFJFHSA-N 406.438 4.027 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1 5297051 UKOJCLFWIAYSDH-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)n(-c3ccccc3)n2)cc1 5514005 PJDBQGMQNXMXJI-PCLIKHOPSA-N 412.449 4.017 50 50 HIGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccccc1Cl 17091369 XGPGVWQCWVTJNZ-UHFFFAOYSA-N 418.346 4.384 50 50 HIGA COc1cccc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1O 229987649 KYEYHBJWYMCFGT-CFLQYTFWSA-N 402.498 4.267 50 50 HIGA CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499715 MSDUIUROIVNMLS-GCNHBNHWSA-N 411.380 4.292 50 50 HIGA biogenic CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100647373 WANJKDLJOXACQS-XQNSMLJCSA-N 404.511 4.082 50 50 HIGA O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(Br)cc1 245285832 YWCDBGTVFCKHRF-UHFFFAOYSA-N 402.075 4.285 50 50 HIGA Cc1ccc(S(=O)(=O)N2CCC[C@H]2COCCO[Si](C)(C)C(C)(C)C)cc1 169838481 POSNUUKXJDDWGW-SFHVURJKSA-N 413.656 4.187 50 50 HIGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 685947 NRFFQCQTJDDFSO-JOCHJYFZSA-N 414.509 4.421 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1OC 1436382 ZWZLBSMFUZMRKU-JOCHJYFZSA-N 401.466 4.009 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c1 4296105 CVTIXQWUOKRYRN-MFKUBSTISA-N 402.450 4.052 50 50 HIGA CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500153 YDPHCPYUXBKCBQ-LTGKAUERSA-N 409.364 4.212 50 50 HIGA biogenic Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1472197 KDSALTXEZJYVKH-FQEVSTJZSA-N 420.852 4.399 50 50 HIGA COC(=O)[C@]1(C(F)(F)F)C=C(C)N(c2c(Cl)cccc2Cl)C(N)=C1C#N 4498767 WMUJOLTUUFBFIC-HNNXBMFYSA-N 406.191 4.133 50 50 HIGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1 1474737 XXIRTVWENYHGBO-YBFXNURJSA-N 400.554 4.073 50 50 HIGA O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 1708436 TVENQUPLPBPLGU-OAQYLSRUSA-N 420.421 4.038 50 50 HIGA in-vitro COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Cl 18115354 WVXNAAKNSSYKSN-HXUWFJFHSA-N 422.872 4.177 50 50 HIGA N#CC(C#N)=Cc1ccc(OCc2ccccc2C#N)c(I)c1 220955257 QIYNLVRNYGQDDA-UHFFFAOYSA-N 411.202 4.172 50 50 HIGA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257355575 BKJFWXHLRIBAOQ-HUOFPDNKSA-N 403.390 4.289 50 50 HIGA BrC[C@@H](Br)CCC[C@@H](Br)CBr 101016221 IBTSIHNNXNVYEC-KNVOCYPGSA-N 415.789 4.474 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 867782 VDTWQJCVXBVQLB-ZMOGYAJESA-N 418.888 4.297 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c(OC)c1OC 4751894 ZPXDTWQODTWJRF-LJQANCHMSA-N 406.438 4.027 50 50 HIGA Cc1ccc(NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)c1 22078682 HWBBXTVNBZYYLS-UHFFFAOYSA-N 411.299 4.137 50 50 HIGA Cc1ccc(-c2c(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)csc2C)cc1 17088236 MUTABSOFYNGVHU-UHFFFAOYSA-N 409.467 4.227 50 50 HIGA COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)O 16195370 VZEUSTXPJCZKDJ-ACAGNQJTSA-N 406.207 4.124 50 50 HIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4210313 ZPKDOQWJUHIAPA-MFKUBSTISA-N 402.450 4.052 50 50 HIGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)C(N)=S 1177915 OFIFNGNJWBFLRI-ZROIWOOFSA-N 409.312 4.495 50 50 HIGA Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(I)o1 1196270 QNRUWQYOHUQQCP-JXMROGBWSA-N 412.614 4.392 50 50 HIGA CCc1ccc(NC(=O)NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 17082024 GSWSKMDZZSKTGS-GFCCVEGCSA-N 400.529 4.192 50 50 HIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccccc2)cc1 1243429 VJFIITRYTYCRFG-OEAKJJBVSA-N 417.494 4.078 50 50 HIGA COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1 13810288 XEQVAGNLIBAMOZ-XKZIYDEJSA-N 413.477 4.104 50 50 HIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc(F)c3)cc1)C(C#N)=C(N)O2 622914 JAVUCWYMQAGFDZ-FQEVSTJZSA-N 404.445 4.298 50 50 HIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1c[nH]nc1-c1cccs1 5297662 OIMLGRWNFINJRG-YDZHTSKRSA-N 402.479 4.481 50 50 HIGA N#C[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)C(Cl)Cl 1857800308 SOVYKPSXSAORHG-GFCCVEGCSA-N 418.074 4.047 50 50 HIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 9324523 WXFHZIWBLUCGNA-CIAFOILYSA-N 413.275 4.002 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)ccc1O 4135938 MADPNLBGWJISGK-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1cccnc1 720252 BGHNEIUVBWWTFE-IBGZPJMESA-N 406.436 4.301 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1 2543243 YFGSPGLDCAJAKF-PCLIKHOPSA-N 402.450 4.377 50 50 HIGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@H]2C1 4457714 VZASTQWZNFOZOM-SJLPKXTDSA-N 412.324 4.127 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 2521135 GBSKJHUTSGXYMY-NBKMAVCRSA-N 400.434 4.078 50 50 HIGA COc1ccc(CC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1 2882037 BISVSIKBKDQALW-UHFFFAOYSA-N 405.479 4.281 50 50 HIGA O=C(O)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 2325809505 CFUJAQIXCPJQNX-ZMOGYAJESA-N 408.841 4.381 50 50 HIGA O=[N+]([O-])c1c(C(Cl)Cl)nc(-c2ccccc2)nc1-n1nnc2ccccc21 1131603 IDVRGTDMBKFVPV-UHFFFAOYSA-N 401.213 4.262 50 50 HIGA COc1cc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1O 3122445 GFCTWULNNJUGJU-WGOQTCKBSA-N 424.460 4.289 50 50 HIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1O 4360349 UQXUJLQKPHIYOB-GZPJKGAFSA-N 404.466 4.376 50 50 HIGA CCOC(=O)c1c(CBr)n(C)c2cc(Br)c(OC)cc12 71769584 APFJCEGGSJERJS-UHFFFAOYSA-N 405.086 4.021 50 50 HIGA CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccccc1 2337035 MWSDZLJSOYDOBB-KWAFQGHKSA-N 405.527 4.263 50 50 HIGA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)CCl 2523018 ANUFXNUKGPALOJ-VQTJNVASSA-N 405.922 4.301 50 50 HIGA COc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2530496 HIGVJNGOBXARGD-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA O=C(Cc1ccccc1)N/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O 4956869 ISRPVZGVYDJKGP-OEGUDMMCSA-N 403.398 4.409 50 50 HIGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1O 71782583 MFFNBPLDSNQGIM-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN(c3cnccn3)CC2)s1 253424660 JFHNBTURBLZNDL-INIZCTEOSA-N 419.671 4.338 50 50 HIGA CC(C)c1ccc([C@@H](CNC(=O)c2snc3ccccc23)NC(=O)CCl)cc1 1875386602 VEQVRZGGGJHBHU-GOSISDBHSA-N 415.946 4.246 50 50 HIGA Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)C(C#N)=C(N)O2 1143945 LLWUQTUMDJCCAZ-IBGZPJMESA-N 410.836 4.308 50 50 HIGA C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1 1225902 HVWYYTSGCSHBIO-ZXVVBBHZSA-N 415.493 4.475 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 4372755 BKBPLCCNGFXVGK-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)ccc1O 867836 YEHKIGTWKVRMIA-MFKUBSTISA-N 412.449 4.222 50 50 HIGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C/c1ccco1 2343440 UOBUXBNSIUGAKV-MOPJDAFUSA-N 416.553 4.331 50 50 HIGA COc1cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc(OC)c1OC 4372584 OTWRWPDKOHGALO-MFKUBSTISA-N 420.465 4.055 50 50 HIGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(-c2ccccc2)cc1 5612620 MZKXCGPUXSVSQJ-NLRVBDNBSA-N 401.466 4.253 50 50 HIGA COc1ccc(NC(=O)NNC(=O)c2cc(C(C)C)cc(C(C)C)c2O)c(OC)c1 1119180 KRWNPQVZPSWNFG-UHFFFAOYSA-N 415.490 4.123 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2)cc1 2553076 LKVZGZJKBPQDJK-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1 4229690 GIWZWJMGYANLHV-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C 2506273 QVYMVSABCSLCFB-WSDLNYQXSA-N 417.303 4.160 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccccc1 2530550 WPSOZXUMJUVPCP-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA COc1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1OC 1469482 HEBIFZDTECBEAZ-PCLIKHOPSA-N 405.498 4.078 50 50 HIGA O=C(CSCc1ccccc1)NNC(=S)Nc1cc(Cl)cc(Cl)c1 6529654 VHWWFEOVLUUVMN-UHFFFAOYSA-N 400.356 4.244 50 50 HIGA COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 9317463 ZTJSTFXBXYWDKW-MSOLQXFVSA-N 412.898 4.011 50 50 HIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)s1 5919332 BYOSJGYVEKKUHK-XNTDXEJSSA-N 420.494 4.423 50 50 HIGA O[C@@H](CBr)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1 22341779 DXGPUJNXMBUWDQ-INIZCTEOSA-N 422.326 4.348 50 50 HIGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@]1(CCN(CCCl)C1)C2=O 257347565 LBTOVHWEDVPPIW-CZRCWOFFSA-N 406.010 4.420 50 50 HIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)c1 2543221 VQHIEYOLEXZXBB-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Cl)s1 12343078 KRDPTBZETKDUKX-UWJMNNEMSA-N 414.550 4.138 50 50 HIGA CO[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 4209285 RTEBSQMCZJKAQR-XAOCGEIJSA-N 422.868 4.397 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 4746372 LGFXPWGQQLUGNA-FSJBWODESA-N 400.841 4.422 50 50 HIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccco1 4888202 VBIQHHCGHBNFMH-LDADJPATSA-N 404.542 4.056 50 50 HIGA Cc1cccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c1 695887 QIHMWBAKSYEYKN-OAQYLSRUSA-N 400.438 4.208 50 50 HIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C)o3)s2)cc1 1829895 XLWKASOZXWAXPZ-DJKKODMXSA-N 418.569 4.283 50 50 HIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1 6739664 JBLPGHAOGSXDIB-ZMOGYAJESA-N 411.421 4.001 50 50 HIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2c(OC)ccc3ccccc23)n[nH]1 5072608 TXPJLVAIHNRLFO-MFKUBSTISA-N 414.465 4.401 50 50 HIGA C/C(=N\NC(=O)c1oc2ccccc2c1C)c1ccc(NC(=O)C(F)(F)F)cc1 17082625 FVOSFNHZCCTYFF-BRJLIKDPSA-N 403.360 4.396 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 1445168 HXEIVZYGSOVKJK-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1ccco1 9087900 PZBPLNVKTUWMTK-LLVKDONJSA-N 421.400 4.009 50 50 HIGA Cc1cc2c(c(=O)o1)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C#N)=C(N)O2 22779970 GZPGUXNHPCTXIT-SFHVURJKSA-N 408.498 4.467 50 50 HIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccs3)s2)cc1 1831706 MSNWWPLZVMJPCW-GIJQJNRQSA-N 420.610 4.443 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2)C2=C1C[C@H](c1ccccc1)CC2=O 691480 KSYLSISYDDSVNN-HTAPYJJXSA-N 418.928 4.310 50 50 HIGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O 627028 VISQSAOOJIFYFB-QGZVFWFLSA-N 417.303 4.291 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4209766 QGZATMLIHLVJPV-YVYJZWDNSA-N 414.461 4.143 50 50 HIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 8973566 HOQGEEQAQZHAQE-VULFUBBASA-N 409.449 4.484 50 50 HIGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1F)OCO3 1126999 XYFHOWFXZUZXHP-HSZRJFAPSA-N 416.408 4.352 50 50 HIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229782 JXCTXWORPLKLCJ-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)o1 755620 NCBOFDZYHKZASW-SGTLLEGYSA-N 411.255 4.251 50 50 HIGA CC(C)c1cc(C(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)c(O)c(C(C)C)c1 1119059 ONIZTMFIZJABAN-UHFFFAOYSA-N 416.503 4.179 50 50 HIGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1 1208272 CNFWIFQLSXWBBW-OEAKJJBVSA-N 417.494 4.078 50 50 HIGA Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543072 DVFVRBCNLPOWIM-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 4366491 UHSZDVSSGJYHDQ-LEBHPONQSA-N 404.466 4.192 50 50 HIGA Cc1cc2c(c(=O)o1)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C#N)=C(N)O2 22779964 GZPGUXNHPCTXIT-GOSISDBHSA-N 408.498 4.467 50 50 HIGA C[C@H](Sc1cc2c(cc1Cl)OCCO2)C(=O)C(C#N)=C1Nc2ccccc2N1 170620566 YIYPJUJRWCGEEF-NSHDSACASA-N 413.886 4.434 50 50 HIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccnc1 731285 HLNSJSJHFAQFAI-BHGWPJFGSA-N 414.248 4.372 50 50 HIGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1 731309 NPIHKHHGPAPGAH-WYMPLXKRSA-N 408.841 4.412 50 50 HIGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC 752423 NRGVUUXXCVXSOD-GAJHUEQPSA-N 416.477 4.302 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(O)c1 1191526 PDPYBGQRBAKYNP-SSDVNMTOSA-N 410.301 4.074 50 50 HIGA COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 4326765 RFPCRSVNLMZRFV-PWYGXMRTSA-N 424.884 4.111 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1OC 5295960 YDWDSQRFAKEIAC-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229175 JONQRLLXFDYEHS-GNYKCMPYSA-N 411.461 4.113 50 50 HIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 4210785 KOBGXXXIHYFUSS-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1 4663771 QWIFAWVKGUBFEG-YHJIWNAUSA-N 413.250 4.367 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1 5354238 WBBBOSAJNGGZEH-UFFVCSGVSA-N 418.240 4.446 50 50 HIGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1 5444900 YTZYSQLQQVDLNQ-VXLYETTFSA-N 403.305 4.227 50 50 HIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccccc1Cl 4210596 LRGYDESVHKNEHZ-LSFURLLWSA-N 406.294 4.088 50 50 HIGA CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(OC)cc1 2531664 IKJXEQWMGLNHOA-PCLIKHOPSA-N 424.497 4.344 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 4360271 SLQCXZUPZNEBIX-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA Cc1noc(C)c1CCn1nnc(-c2ccc(OC(F)(F)F)cc2)c1CCl 1501056566 MPDMMSRZEHOFPA-UHFFFAOYSA-N 400.788 4.430 50 50 HIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1 2518559 AHQYBRTYINHBJQ-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 6783635 TZLRXCNEKKNSRG-WGOQTCKBSA-N 419.573 4.488 50 50 HIGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccccc1 32593051 PTQXYRVTKCFGIQ-YSMPRRRNSA-N 403.482 4.145 50 50 HIGA COc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1 1055252 BZXJNXROLRUTMR-WSDLNYQXSA-N 413.271 4.140 50 50 HIGA CO[C@H](C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1)c1ccccc1 4210003 DFQBOMMHBOBGNS-LWROZRRASA-N 402.450 4.052 50 50 HIGA COC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)Br)c1ccccc1CC2 22340938 UUBHARKIGLXZRH-GFCCVEGCSA-N 403.276 4.412 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1OC 867894 JPJUKFAJLBWJEY-LSHDLFTRSA-N 419.268 4.165 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(C)cc1 648619 AXYJCDGOWBBCOJ-QHCPKHFHSA-N 416.477 4.397 50 50 HIGA COc1ccc(OC)c(/C=N/NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 5675561 FKWBHEQFRQDCGC-UFFVCSGVSA-N 404.875 4.344 50 50 HIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3coc4ccccc4c3=O)sc2c1 5676269 UPVRSIUISDUYRF-LSFURLLWSA-N 412.854 4.434 50 50 HIGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 1230056 ZZLBPCGBCNRJLV-UHFFFAOYSA-N 409.283 4.042 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1C 823004 HHXKNASHHYHRCD-KSFYIVLOSA-N 416.477 4.221 50 50 HIGA Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)c1 12462789 CHVQLPXDNMOAQQ-AREMUKBSSA-N 424.504 4.042 50 50 HIGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC 752422 NRGVUUXXCVXSOD-SBUREZEXSA-N 416.477 4.302 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1C 823001 HHXKNASHHYHRCD-ZHRRBRCNSA-N 416.477 4.221 50 50 HIGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(Cl)c1 2756133 JFYAWUZAZYMIEI-UHFFFAOYSA-N 401.677 4.267 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(Br)cc1 19800334 RJCCJKCICHVHQI-YBFXNURJSA-N 403.305 4.363 50 50 HIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OCC 717395 PKTJKPIKYAXGBY-QGZVFWFLSA-N 408.483 4.154 50 50 HIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 845765 NHNWYCDDKTZHHX-LJQANCHMSA-N 405.410 4.306 50 50 HIGA CCCCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 2070915 AYDIKQVKBREPHL-KRWDZBQOSA-N 401.488 4.450 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 5676251 RWOQFHCAUWCAMC-UFFVCSGVSA-N 402.859 4.114 50 50 HIGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 17091673 YRCFXQAOXUGCSU-LFYBBSHMSA-N 418.858 4.241 50 50 HIGA Cc1ccc(-c2cc(C(=O)NNC(=S)NCc3ccco3)c3ccccc3n2)s1 2855078 LTZVIRYCBDDWEY-UHFFFAOYSA-N 422.535 4.174 50 50 HIGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)c1 4139081 CLMQBVUFKIKYLU-NRFANRHFSA-N 424.460 4.465 50 50 HIGA in-vitro O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNC(=O)c1cccc(C(F)(F)F)c1 729950929 FAWPXXUBVQLGFH-AWEZNQCLSA-N 404.310 4.203 50 50 HIGA CCCCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OC 4473581 KWDKYHPLUOHVNG-FQEVSTJZSA-N 416.481 4.482 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)ccc1O 5354143 OJHPBDLRJJVRGY-LSHDLFTRSA-N 419.268 4.252 50 50 HIGA CCCCc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2)cc1 6390573 RUEOKYWJQNHPLJ-UHFFFAOYSA-N 405.564 4.419 50 50 HIGA N#Cc1ccc(NNC(=O)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 799753298 WDTHAJWRXGLQCX-UHFFFAOYSA-N 402.145 4.236 50 50 HIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2518567 VAKCNVJOFKWWLW-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc(Cl)c1 4209988 GQIIZOPASUMSDJ-LSFURLLWSA-N 406.294 4.088 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 691482 KSYLSISYDDSVNN-VGSWGCGISA-N 418.928 4.310 50 50 HIGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1O 9178303 YGCNLHSGWSTFID-LSHDLFTRSA-N 419.268 4.252 50 50 HIGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1O 16677407 ZRBVZPZUEHATGD-JYRVWZFOSA-N 417.259 4.108 50 50 HIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)c1 2585022 STBNUKHREBWJAJ-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 4260968 PYAHYUJHPHOJQH-NLRVBDNBSA-N 416.477 4.387 50 50 HIGA COc1cccc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3ccccc3C)cc2)c1 1002054 MYOFBYSYMKDXOJ-ONUIUJJFSA-N 401.466 4.410 50 50 HIGA COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 1185309 PQLWOUVTEDMWLX-KPKJPENVSA-N 405.223 4.151 50 50 HIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Cl)s2)n[nH]1 5446497 JCIKATOYGFDAKG-QGMBQPNBSA-N 409.696 4.318 50 50 HIGA CCOc1cc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 1299506 LJTIMUSIQDIWOC-PCLIKHOPSA-N 405.498 4.165 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Br)o1 755617 NCBOFDZYHKZASW-KZULUSFZSA-N 411.255 4.251 50 50 HIGA CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nc2ccccc21 4869686 PCBMGKCQKKGZOG-FOKLQQMPSA-N 406.433 4.317 50 50 HIGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)c1 8370869 QTENPEBMSQRENZ-UHFFFAOYSA-N 403.548 4.055 50 50 HIGA CN(Cc1ccccc1)S(=O)(=O)c1ccc(COc2ccc(C(=O)Cl)cc2)o1 1857800394 XLRFZBDIZNIBAX-UHFFFAOYSA-N 419.886 4.058 50 50 HIGA N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(O)cc1 1220341 VNOGBYAPUHFNFC-QGOAFFKASA-N 415.405 4.425 50 50 HIGA CC1=C(C#N)[C@H](c2ccccc2I)C2=C(CC(C)(C)CC2=O)N1 19770484 IOBMMQZYKKDNIF-KRWDZBQOSA-N 418.278 4.419 50 50 HIGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3166981 YQDHDXKFEGSQIQ-HIQXPHMNSA-N 419.437 4.091 50 50 HIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1Cl 4230046 SDFQBUVWPODYHK-BHGWPJFGSA-N 400.265 4.027 50 50 HIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 868046 BXPGWFVRQZLHTQ-VXLYETTFSA-N 419.304 4.063 50 50 HIGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1C 6401083 BBKHBZCBOROCRE-UHFFFAOYSA-N 411.955 4.347 50 50 HIGA O=S(=O)(c1ccc(CBr)cc1)c1ccc(CBr)cc1 101356689 UPEZCZHEUGNPOC-UHFFFAOYSA-N 404.123 4.309 50 50 HIGA COC(=O)[C@@]1(C(F)(F)F)C=C(C)N(c2c(Cl)cccc2Cl)C(N)=C1C#N 4498764 WMUJOLTUUFBFIC-OAHLLOKOSA-N 406.191 4.133 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1C 823002 HHXKNASHHYHRCD-OPAMFIHVSA-N 416.477 4.221 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 2898249 ARVXEMXFRCMOOM-LGUFXXKBSA-N 417.509 4.467 50 50 HIGA C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CCCCC2)c1 5020858 YWMJOVMHBBHMLH-IWIPYMOSSA-N 408.458 4.268 50 50 HIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCC 658755 QCNCFVUNZAHSGR-JOCHJYFZSA-N 416.481 4.196 50 50 HIGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21 4708296 QJTJQARPQDVUFF-NRFANRHFSA-N 416.506 4.269 50 50 HIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccccc2)cc1 1308312 DFLUNXKYTQXTIL-ZVHZXABRSA-N 416.506 4.384 50 50 HIGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 5590273 FJSIWNGCFGAXEP-SFHVURJKSA-N 406.467 4.270 50 50 HIGA COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)c(OC)c1 32568436 MOBGSQLQVIFACZ-MYYYXRDXSA-N 404.466 4.355 50 50 HIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1 4209728 CKWUKAPQEGADEO-AFUMVMLFSA-N 422.868 4.397 50 50 HIGA O=C(O)CCSSCCNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 1875388548 GDWVDMFGFFEWAM-UHFFFAOYSA-N 407.479 4.099 50 50 HIGA O=C(CBr)Nc1c(Cl)cc(Br)cc1Br 1560681 AIIJWEIAPOOJKC-UHFFFAOYSA-N 406.299 4.198 50 50 HIGA Cc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 17090439 PTAIVVQGFZDJBP-UHFFFAOYSA-N 415.902 4.452 50 50 HIGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O 627033 VISQSAOOJIFYFB-KRWDZBQOSA-N 417.303 4.291 50 50 HIGA CCc1ccc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)s1 1875383647 BKFPBJUUJYPEJC-GOSISDBHSA-N 400.931 4.290 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 4746391 VEVNOXOWJPSDQJ-MFKUBSTISA-N 414.465 4.488 50 50 HIGA O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)NC12CC3CC(CC(C3)C1)C2 5060288 YZBRCTAPPPGISU-UHFFFAOYSA-N 417.509 4.223 50 50 HIGA O=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(Br)ccc1O 7004929 XXNRYJNZKIHICC-MGXGLFJDSA-N 424.092 4.306 50 50 HIGA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257355573 BKJFWXHLRIBAOQ-BTCFCQFKSA-N 403.390 4.289 50 50 HIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(Cl)c1 17088037 UVJWJNZYKHWDDT-OPFCKLNOSA-N 408.521 4.076 50 50 HIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 5354282 YTLLCIPNYDGAHO-WGOQTCKBSA-N 424.460 4.294 50 50 HIGA O=c1n(CCCCl)nc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 71769685 CDTSIENGAZHOHO-UHFFFAOYSA-N 421.715 4.321 50 50 HIGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccccc1O 1244862 GMKABSSSWHQPRP-WPWMEQJKSA-N 410.477 4.463 50 50 HIGA CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1 2952292 WDBXYPWEXFISEY-CIAFOILYSA-N 405.292 4.075 50 50 HIGA CCCCn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17082191 DXGUGDLKSWHUFA-PDGQHHTCSA-N 401.466 4.393 50 50 HIGA CC1=C(C#N)[C@@H](c2cccc(I)c2)C2=C(CC(C)(C)CC2=O)N1 629267 QXEXSIITJLMWKB-QGZVFWFLSA-N 418.278 4.419 50 50 HIGA COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 18172606 RNYKMRRVFTVVBZ-QFEZKATASA-N 406.486 4.155 50 50 HIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2)cc1 2543252 PQQGDBKWPFUVJI-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA COc1ccc(OCc2cc(/C=N/NC(=O)c3sccc3C)ccc2OC)cc1 2764083 NAQOVGPOYLGGIG-YDZHTSKRSA-N 410.495 4.417 50 50 HIGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@]1(CCN(CCCl)C1)C2=O 257347567 LBTOVHWEDVPPIW-KHQJZPMISA-N 406.010 4.420 50 50 HIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccncc3)nc3ccccc32)cc1 730109 PDFGUNOLQVSJCM-AFUMVMLFSA-N 415.522 4.030 50 50 HIGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 1113771 PCSYHKPKHLLJKL-INIZCTEOSA-N 415.877 4.190 50 50 HIGA CC1=C(C#N)[C@@H](c2ccccc2I)C2=C(CC(C)(C)CC2=O)N1 19770483 IOBMMQZYKKDNIF-QGZVFWFLSA-N 418.278 4.419 50 50 HIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867892 XKEFFBCCXXFRCW-AWQFTUOYSA-N 404.213 4.056 50 50 HIGA COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 1253307 DHVQDOMJCIONAG-MRXNPFEDSA-N 423.321 4.329 50 50 HIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4372655 LIGYEMLESQLQDD-SYXCRGJESA-N 419.437 4.091 50 50 HIGA CCOc1cc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O 245238353 LJTIMUSIQDIWOC-UHFFFAOYSA-N 405.498 4.165 50 50 HIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4302959 OHPQOZMRUNHQSR-AFUMVMLFSA-N 424.884 4.457 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC 1741419 BPTPUCAIIUNBKF-PCLIKHOPSA-N 417.465 4.110 50 50 HIGA C/C(=N\NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 20311139 SOFWQADSDWXGMI-NXYZXBHKSA-N 416.403 4.199 50 50 HIGA BrC[C@H](Br)CC[C@@H](Br)CBr 2169088 WPBWUVCMCYXPFI-PHDIDXHHSA-N 401.762 4.083 50 50 HIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2379886 LMZGTCIURWCYAJ-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA Cc1ccccc1NC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)o1 17090440 WXVBTBCEBRZPLK-UHFFFAOYSA-N 415.902 4.452 50 50 HIGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NNC(=S)Nc3ccccc3)[C@](C)(O)CC[C@H]12 245253536 GRHLQFYSWBUOFY-AAUAJYIVSA-N 417.619 4.388 50 50 HIGA COc1ccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1119727 HETYEUQVZBABGW-UHFFFAOYSA-N 407.495 4.002 50 50 HIGA COc1cccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1O 1230176 GLKKKGCVBGIVLP-WGOQTCKBSA-N 424.460 4.289 50 50 HIGA C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(Br)s1 1234638 RPJSPMXWVXMVMU-VCHYOVAHSA-N 401.713 4.392 50 50 HIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4372657 LIGYEMLESQLQDD-HIQXPHMNSA-N 419.437 4.091 50 50 HIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)cc1 4994858 IYLSMKIKAMQWSU-NVMGMXFGSA-N 404.470 4.303 50 50 HIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1OC 5125833 DGAKBPMPCIIPJE-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2674408 OHJMWYKQFCPDAB-FYHAJLKWSA-N 422.868 4.477 50 50 HIGA O=C(O)/C(Cl)=C(Cl)\C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 23115223 YIBPKJABYBSRPV-GDPXCAIISA-N 414.248 4.391 50 50 HIGA CC(CCc1ccco1)=NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 253476488 VLKFBTLXYNNUML-UHFFFAOYSA-N 420.425 4.179 50 50 HIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1 5125790 KGNYJKTWWCHSGB-MFKUBSTISA-N 414.465 4.401 50 50 HIGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1I 1959341 RUJGGJGQMPGINI-UDWIEESQSA-N 400.219 4.208 50 50 HIGA C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 2929302 UERYHBLKVJMQLI-CIAFOILYSA-N 419.344 4.397 50 50 HIGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 4677647 DHPZTZDVYIBHPF-BUVRLJJBSA-N 422.485 4.037 50 50 HIGA C[C@H](C(=O)NN=C/C=C/c1ccccc1)n1c(-c2ccccc2)nc2ccccc2c1=O 245391987 TUTIJBRWJFIJNI-DQOKPKSISA-N 422.488 4.440 50 50 HIGA Cc1cccc(NC(=O)NNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 673069 HPPSCMLGSYNACY-UHFFFAOYSA-N 404.835 4.238 50 50 HIGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229176 JONQRLLXFDYEHS-MOROIOLQSA-N 411.461 4.113 50 50 HIGA C[C@H](O)CN1CCN(Cc2cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s2)[C@H](C)C1 253424486 GVXRSMNZKZWCCT-IKGGRYGDSA-N 413.704 4.113 50 50 HIGA O=C(N/N=C/c1ccccc1Br)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297311 LRMHBQNZBMFWNU-KEBDBYFISA-N 403.667 4.257 50 50 HIGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]2C1 4115122 VZASTQWZNFOZOM-WMZOPIPTSA-N 412.324 4.127 50 50 HIGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 1469149 AJBSFSDNHDKYKC-HZHRSRAPSA-N 405.458 4.337 50 50 HIGA CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9089389 WQJYYABRUGGTLF-ZDUSSCGKSA-N 413.326 4.409 50 50 HIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100647325 ZLXDVCYFKSGDQO-XQNSMLJCSA-N 404.511 4.082 50 50 HIGA C/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1)c1ccc(Br)cc1 4751018 ODULKDISMHMFAM-HMAPJEAMSA-N 402.292 4.017 50 50 HIGA CCc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1 6394762 RUNIWISBNIWWTA-UHFFFAOYSA-N 411.955 4.293 50 50 HIGA CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(OC)cc2)C3)cc1 32511894 RMNSGMCLVVOFDP-YSMPRRRNSA-N 415.493 4.378 50 50 HIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5125811 MVRKKOSWOGTKMQ-CVKSISIWSA-N 410.477 4.491 50 50 HIGA COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC 169837716 UXUMTMVSWMDPQE-OKILXGFUSA-N 406.668 4.113 50 50 HIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 690994 MUHSQUVXMCFMFN-KSFYIVLOSA-N 418.928 4.310 50 50 HIGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(I)cc3)nc2c1 4739914 IOLMQPNQFABYCS-WQLSENKSSA-N 401.207 4.240 50 50 HIGA CCSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 52508211 GSMBHYPHPKZALE-SFHVURJKSA-N 403.525 4.380 50 50 HIGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Br)s2)n[nH]1 6188254 CMRODEBGNMFIQX-QGMBQPNBSA-N 409.696 4.318 50 50 HIGA O=C(N/N=C/c1ccc(F)c(Br)c1)c1cccc(Br)c1 1191936 YDEMSQKIRKCQNI-QGMBQPNBSA-N 400.045 4.115 50 50 HIGA COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc(OC)c1O 17087670 TUCGTSKLSADCHK-OVCLIPMQSA-N 407.451 4.079 50 50 HIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1c(Cl)cccc1[N+](=O)[O-] 1117268 MNVDJUWDRYPEMN-YJYMSZOUSA-N 421.840 4.457 50 50 HIGA O=C(COc1ccc(Br)cc1)N/N=C/c1cc2ccccc2nc1Cl 4210682 CPVGXJJZCXROIF-UFFVCSGVSA-N 418.678 4.180 50 50 HIGA Cc1cc(CSCC(=O)N/N=C/c2ccc(Br)cc2)cc(C)c1O 4975314 AUNGWSUIBKBUFX-AWQFTUOYSA-N 407.333 4.155 50 50 HIGA CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 16343419 MWYYLZRWWNBROW-ISPAKYAGSA-N 400.559 4.408 50 50 HIGA biogenic,in-vitro COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 2390478 AHZORESCFFAZPE-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 713587 WESMWQVMYHWYDF-QFIPXVFZSA-N 414.465 4.462 50 50 HIGA O=C(NNC(=O)c1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 5891387 PPUBRAQAOMIOSB-UHFFFAOYSA-N 403.063 4.222 50 50 HIGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(NC(=O)c2ccoc2C)cc1 668928 DDHPYRKGPJXKJO-ZVHZXABRSA-N 420.425 4.211 50 50 HIGA COc1ccc(-c2n[nH]c(C(=O)N/N=C/c3c(O)ccc4ccccc34)c2C)cc1 5318763 WYYMTSPMPHWGKV-ZMOGYAJESA-N 400.438 4.016 50 50 HIGA COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 731174 UDVUMZCQUUZDQU-MFKUBSTISA-N 404.466 4.355 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 4208022 VZCFYSMPNLKYLE-QGMBQPNBSA-N 406.876 4.100 50 50 HIGA CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1 1142366 PTMHENNPZPCKBP-IBGZPJMESA-N 421.522 4.104 50 50 HIGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CC[C@H](n1cnc3c(O)nc(N)nc31)S2 169836020 ZEMORXRSJCJWKH-VPZZIHKRSA-N 421.643 4.453 50 50 HIGA CSc1ccc(/C=N/NC(=O)c2cnn3c(C)cc(-c4ccccc4)nc23)cc1 673223 QIZNAQBYDPAPIP-YDZHTSKRSA-N 401.495 4.191 50 50 HIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1435622 MHAZLKAOMGQXNB-ZVHZXABRSA-N 408.841 4.088 50 50 HIGA Cc1n[nH]c2c1[C@H](c1cccc(OCc3c(F)cccc3Cl)c1)C(C#N)=C(N)O2 4997456 NIMQWRDPMIFOMS-LJQANCHMSA-N 410.836 4.308 50 50 HIGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC 752421 NRGVUUXXCVXSOD-UZUQRXQVSA-N 416.477 4.302 50 50 HIGA BrC[C@@H](Br)CC[C@H](Br)CBr 2169085 WPBWUVCMCYXPFI-WDSKDSINSA-N 401.762 4.083 50 50 HIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1 2544300 KJDKGLTXDOAYCJ-ZVHZXABRSA-N 407.857 4.008 50 50 HIGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCC1 5042123 YVEYHFWIPYEARB-AQTBWJFISA-N 416.481 4.027 50 50 HIGA CC/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(Cl)c1 17093216 OOCDGQREPIZYSV-VBEHJTROSA-N 422.548 4.466 50 50 HIGA O=C(O)CCSSCCNC(=O)c1ccc2scc(Br)c2c1 1875388724 NUBWEIIYOALMNE-UHFFFAOYSA-N 420.375 4.250 50 50 HIGA N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(F)cc1 9010565 PZBHINIWJWRIFJ-PTNGSMBKSA-N 404.357 4.467 50 50 HIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4261334 PKZYYLPHEJKAHL-WYMPLXKRSA-N 422.312 4.052 50 50 HIGA CCCc1ccc(OCc2ccc(C(=O)NNC(=O)Nc3cccc(F)c3)o2)cc1 17088837 TVNGWSKDMXONOD-UHFFFAOYSA-N 411.433 4.417 50 50 HIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 2597497 RQHSIWBVQBVLSX-NRFANRHFSA-N 400.438 4.208 50 50 HIGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 17088777 LDJZJRPSFYNQHJ-VQHVLOKHSA-N 411.302 4.294 50 50 HIGA COc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1OC 19798001 NQIXCLPDDYLQCO-PCLIKHOPSA-N 401.466 4.352 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(Br)c1 2319313 JRWYAXDYIPBKFH-GIJQJNRQSA-N 406.330 4.301 50 50 HIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(Cl)cc1 4209977 NCHZLFXPTLSNOQ-LSFURLLWSA-N 406.294 4.088 50 50 HIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC 970230 RCYKSCRMYZPQTE-GOSISDBHSA-N 422.872 4.356 50 50 HIGA CCc1ccccc1NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794505 WZCNEXYJSNGNHU-UHFFFAOYSA-N 415.412 4.117 50 50 HIGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 2901363 KCOVVTRICQRJQW-OJWZXOLNSA-N 417.509 4.249 50 50 HIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 4033863 FJXGXLFCPRRPHL-DPCSMWEWSA-N 410.481 4.308 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 18118402 FBMJJTVEXMJRAD-CIAFOILYSA-N 413.275 4.002 50 50 HIGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)c1 1233644 GIVCMWRBUURXNL-LEBHPONQSA-N 404.466 4.192 50 50 HIGA CCn1ncc(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)c1C 390834883 LSHKQXYVZMVFNR-IOJRYNMNSA-N 406.534 4.148 50 50 HIGA CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NNC(=S)NCCc1ccc(Cl)c(Cl)c1 1875319608 KFHFDDAQVLGOGG-HEHGZKQESA-N 414.402 4.104 50 50 HIGA O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 22339280 DTEMMTRQZJSSLH-FQEVSTJZSA-N 405.885 4.499 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)/C=C/c1ccccc1 2521178 WZOZYFADCSKSOH-DLVCOAMMSA-N 418.424 4.217 50 50 HIGA COc1cc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)cc(OC)c1OC 4751370 VZXOEOGJQGLIPD-FQEVSTJZSA-N 406.438 4.027 50 50 HIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1C 4230183 LKCURCDCJKCQLP-VULFUBBASA-N 420.440 4.191 50 50 HIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(C)cc1C 15934332 PMWAENXKVPHDLY-XWAFYUISSA-N 402.130 4.040 50 50 HIGA O=C(N/N=C/c1ccccc1Cl)C1=NNC(c2ccccc2)(c2ccccc2)C1 22343140 INKDRRGOLREQDB-PCLIKHOPSA-N 402.885 4.083 50 50 HIGA COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 4326762 RFPCRSVNLMZRFV-FDCKDHBTSA-N 424.884 4.111 50 50 HIGA C/C(=N\NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 20311142 SOFWQADSDWXGMI-IXORVSQSSA-N 416.403 4.199 50 50 HIGA COc1ccc(/C=N\NC(=O)c2cccs2)cc1COc1ccc([N+](=O)[O-])cc1 32573542 JGGFTNZGAFNFBK-MTJSOVHGSA-N 411.439 4.008 50 50 HIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3)s2)cc1 2276465 RKEIFXMYFNTFBG-RGVLZGJSSA-N 414.581 4.381 50 50 HIGA COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c(OC)c1OC 4751896 ZPXDTWQODTWJRF-IBGZPJMESA-N 406.438 4.027 50 50 HIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1n[nH]c2c1CCc1ccccc1-2 5296870 XCERGGGCAJUNMF-OLDBKCAOSA-N 421.298 4.327 50 50 HIGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 1071092 NFFQXSVLCIEODD-FQEVSTJZSA-N 404.401 4.039 50 50 HIGA O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 2575525 TVENQUPLPBPLGU-NRFANRHFSA-N 420.421 4.038 50 50 HIGA in-vitro COC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 1253308 DHVQDOMJCIONAG-INIZCTEOSA-N 423.321 4.329 50 50 HIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)c1 9065491 PUSHMAHMWCERBV-ZVHZXABRSA-N 400.438 4.098 50 50 HIGA COc1cccc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1O 229987638 KYEYHBJWYMCFGT-WIBUTAKZSA-N 402.498 4.267 50 50 HIGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3166975 YQDHDXKFEGSQIQ-SYXCRGJESA-N 419.437 4.091 50 50 HIGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1cccc(C(F)(F)F)c1 6402343 MPZCOEONOORXBP-UHFFFAOYSA-N 405.804 4.058 50 50 HIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 4258655 NGGVSHXTTYSIJO-YZSQISJMSA-N 417.465 4.244 50 50 HIGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6786951 KLGBBJTZLDOESA-LPTQNISRSA-N 404.514 4.315 50 50 HIGA CC1=C(C#N)[C@H](c2cccc(I)c2)C2=C(CC(C)(C)CC2=O)N1 629270 QXEXSIITJLMWKB-KRWDZBQOSA-N 418.278 4.419 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1Cl 1216166 MXYVKSCXOIVMLH-AFUMVMLFSA-N 423.856 4.117 50 50 HIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 4302916 UQBBUQXHVKYZOR-IFRROFPPSA-N 405.068 4.389 50 50 HIGA O=C(N/N=C\c1ccc(O)cc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 39942819 DNQNJBKSBFZUPM-MYYYXRDXSA-N 412.449 4.125 50 50 HIGA CSc1oc(N(C)C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976863 OLJBQECNOKGLMK-UHFFFAOYSA-N 419.510 4.082 50 50 HIGA C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 8400153 ODEZXCVIJIFXTD-NHDPSOOVSA-N 416.231 4.041 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1ccc(C)cc1 1210529 ZIHUHSTZKWANKO-OEAKJJBVSA-N 408.479 4.438 50 50 HIGA CCOC(=O)c1[nH]c(C)c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C 1195584 LATANJNPAPNUJQ-FOKLQQMPSA-N 413.861 4.486 50 50 HIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl 3072819 JFSVASXANYYGLW-AFUMVMLFSA-N 421.884 4.316 50 50 HIGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 43761016 IATUGOGERIXEHR-PLWLMNJCSA-N 419.506 4.307 50 50 HIGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 647630 KVCGIMISJACTJQ-JOCHJYFZSA-N 416.481 4.196 50 50 HIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1OC 1445500 BUUSCKOGUFSPNA-JOCHJYFZSA-N 419.456 4.148 50 50 HIGA CC(C)c1cc(C(=O)NNC(=S)NCc2ccc(F)cc2)c(O)c(C(C)C)c1 2856873 QOKCNXOUMIVDJE-UHFFFAOYSA-N 403.523 4.087 50 50 HIGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 18148507 MHFICHRIAOMRSS-MFKUBSTISA-N 412.449 4.125 50 50 HIGA CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799749287 DVOBSVGYSKPYBA-UHFFFAOYSA-N 405.376 4.289 50 50 HIGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 1115642 UOIAVAYCDHITNB-QFIPXVFZSA-N 423.432 4.460 50 50 HIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccs1 1192257 VEKWCAYLGAOCTR-LPYMAVHISA-N 406.536 4.389 50 50 HIGA Cc1cc(C)cc(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 6399859 WABCPFSEUTUMFT-UHFFFAOYSA-N 405.951 4.442 50 50 HIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867830 YRGOBNBBEDWFNX-AWQFTUOYSA-N 404.213 4.056 50 50 HIGA CCOc1ccccc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 4372851 PZOOJZDHHFXBKY-PCLIKHOPSA-N 404.466 4.193 50 50 HIGA CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1 15769231 XLVHIYKRYMFUTM-UZYVYHOESA-N 411.505 4.494 50 50 HIGA CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC(=O)NNC(=S)Nc1ccccc1 245253538 GRHLQFYSWBUOFY-GGILJOMBSA-N 417.619 4.388 50 50 HIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)ccc1O 2000020 SAOBFDPYYQDHTI-QGMBQPNBSA-N 422.329 4.007 50 50 HIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccccc1 13564362 KGNJJMYQPVOLFB-XSFVSMFZSA-N 414.581 4.463 50 50 HIGA Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)C(C#N)=C(N)O2 1143943 LLWUQTUMDJCCAZ-LJQANCHMSA-N 410.836 4.308 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2572292 JMQHCZZZBJDIEN-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)cc(OC)c3OC)nc2c1 4739833 MKDXUHAYLMQFHJ-SDQBBNPISA-N 414.259 4.415 50 50 HIGA CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1 731301 WHUIVGGKVASSAA-PCLIKHOPSA-N 418.449 4.077 50 50 HIGA N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1ccc(Br)s1 4166596 JITGZPDKVNPFPN-LLVKDONJSA-N 405.302 4.180 50 50 HIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 4230168 ZMLIPHWWMSCUQV-ZVHZXABRSA-N 408.841 4.332 50 50 HIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1OC 4994769 VMILUDJGLOBTQY-ZVHZXABRSA-N 400.438 4.011 50 50 HIGA O=C(OOC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 138675780 NDLGGYYBMQTCLG-UHFFFAOYSA-N 400.022 4.140 50 50 HIGA N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(Br)c1 12360212 SLRZDLHTRSEMIP-JYRVWZFOSA-N 424.254 4.034 50 50 HIGA O=C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 100062583 BGCIWPHADHBSOS-UHFFFAOYSA-N 406.131 4.075 50 50 HIGA CCn1c(-c2ccc(Cl)cc2)cs/c1=N/NC(=O)COc1ccccc1C 102318104 OKMCXSJASCGNOQ-BSYVCWPDSA-N 401.919 4.209 50 50 HIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)c(OC)c1 1003509 YAWCXWXDLLEGNE-ZVHZXABRSA-N 401.422 4.276 50 50 HIGA O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(Br)cc3)o2)c1 22077279 IUMGFJCRLWWBJZ-NHDPSOOVSA-N 413.227 4.171 50 50 HIGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1cccc2ccccc12 1188065 RWENPGWEGKHKDY-VNSNFZHPSA-N 424.456 4.243 50 50 HIGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 1228196 BQRGUDPZPQIVGK-JJIBRWJFSA-N 403.438 4.489 50 50 HIGA COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1OC 1421068 CMOKUQITUHNOQG-XNTDXEJSSA-N 405.281 4.276 50 50 HIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(Br)ccc1O 2902590 XXNRYJNZKIHICC-KGIYGKSBSA-N 424.092 4.306 50 50 HIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccccc2Cl)n[nH]1 9013664 PBJKEPGGEYQRAZ-KEBDBYFISA-N 403.667 4.257 50 50 HIGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1 2573551 LVZGBSDFCJBABW-ZMOGYAJESA-N 410.857 4.397 50 50 HIGA CCN(CC)c1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C)cc1 5318897 RHMQOMALNINHHC-BUVRLJJBSA-N 405.502 4.004 50 50 HIGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 685946 NRFFQCQTJDDFSO-QFIPXVFZSA-N 414.509 4.421 50 50 HIGA C/C(=N/NC(=O)CCCCC(=O)N/N=C(/C)c1ccc(C)cc1)c1ccc(C)cc1 4760310 YTKCKDVWMVPNDF-DQIQZUARSA-N 406.530 4.244 50 50 HIGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 17088116 ORXZEKOHNYEOJX-ZROIWOOFSA-N 408.845 4.293 50 50 HIGA COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1OC 1229937 NAHWSJZPEJQJBO-AZVXTCMLSA-N 400.478 4.160 50 50 HIGA COc1cccc(/C=N\NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)c1 32650013 GIVCMWRBUURXNL-SAHIIKMKSA-N 404.466 4.192 50 50 HIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1 800668 NKGIXVQVTBNRAU-OAQYLSRUSA-N 420.444 4.053 50 50 HIGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 1113769 PCSYHKPKHLLJKL-MRXNPFEDSA-N 415.877 4.190 50 50 HIGA CC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)s1 5523051 JDQVTHOJAOJDSD-LDADJPATSA-N 401.713 4.473 50 50 HIGA O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)N/N=C/c1ccccn1 2546610 MEKPMBLNNUEDKG-BUVRLJJBSA-N 420.542 4.088 50 50 HIGA O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2907745 MCGVCNPLACLDRI-UHFFFAOYSA-N 405.581 4.220 50 50 HIGA C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CCCCC2)c1 5020638 ZEWGLVHOHBYWGQ-IWIPYMOSSA-N 408.458 4.268 50 50 HIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1 822653 KZYFCHZPEYFXLC-LFVJCYFKSA-N 413.506 4.177 50 50 HIGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1cc(O)cc(O)c1 13321597 ZEFBEWVRPTUWMF-BHGWPJFGSA-N 414.820 4.233 50 50 HIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 945632 NLHZEMMHLRVDHR-CIAFOILYSA-N 413.275 4.002 50 50 HIGA COc1ccc(COc2cc3c(cc2OCc2ccc(OC)cc2)C(=O)OC3=O)cc1 147634541 BLMQFZDSZGKYFR-UHFFFAOYSA-N 420.417 4.172 50 50 HIGA CO[C@H](C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 1208659 OTVCNONHBVPFNX-MSIOFZDNSA-N 410.477 4.377 50 50 HIGA C/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 15934176 LDMMCQDVWTUDJM-DHRITJCHSA-N 423.856 4.158 50 50 HIGA