smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 2297008 FRVUEPMJVLMZBV-ZVHZXABRSA-N 422.506 4.620 50 50 HJGA CC(C)Oc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1 15933618 HGDXRZPCWAWZHK-JVWAILMASA-N 410.477 4.848 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 680025 LGFNNGQPCQTQHA-HXUWFJFHSA-N 404.901 4.676 50 50 HJGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1 9008097 OPMGLMPBLBTFTL-FSJBWODESA-N 417.296 4.936 50 50 HJGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 19799021 GJQHAHURLAUZOS-DHRITJCHSA-N 417.852 4.730 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F 659599 CTPSPPRQWWMDJS-VLIAUNLRSA-N 410.395 4.914 50 50 HJGA N#CC1=C(SCc2ccc(Br)cc2)NC(=O)[C@H](C#N)C12CCCCC2 850030 BULJGMVMRBYPEX-HNNXBMFYSA-N 416.344 4.638 50 50 HJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 2584973 NJBWHMMHKLNOHK-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775976216 PJLITBAAOTYSKA-JOCHJYFZSA-N 418.399 4.711 50 50 HJGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 1246423 XSIMLBGSBIPFGS-MFKUBSTISA-N 414.534 4.635 50 50 HJGA COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 4365501 JIOUDXMPCSCQQZ-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA O=C(CBr)c1ccc(Oc2ccc(C(=O)CBr)cc2)cc1 82020249 MPQOHLBSCRDFIJ-UHFFFAOYSA-N 412.077 4.634 50 50 HJGA CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100600991 VCIYDRFDQZNQLA-QINSGFPZSA-N 420.450 4.872 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1ccsc1 720262 OUMJUDQCQAGHNQ-GOSISDBHSA-N 411.477 4.967 50 50 HJGA O=C(N/N=C/c1ccccc1)c1cc(Br)ccc1OCc1ccccc1 2388510 LRPUXEWGNSZHLW-OEAKJJBVSA-N 409.283 4.792 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3cc(C)ccc3n2)cc1 2749666 HSRWTIOCFGMVBL-JVWAILMASA-N 410.477 4.768 50 50 HJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 2571823 XMUSXTQEYUQDFZ-WPWMEQJKSA-N 423.472 4.508 50 50 HJGA O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1cccs1 2584710 HYNZJVCRHMKKRM-ZVHZXABRSA-N 416.458 4.590 50 50 HJGA C[C@H](NC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccccc1 2731654 SRWUHYXWBJXDQP-GOEBONIOSA-N 415.628 4.769 50 50 HJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1 9176388 XOXCTLAKMCIWCF-CVKSISIWSA-N 406.445 4.853 50 50 HJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc(Cl)c1 2584685 RNAUOWIVCCIBDJ-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA CCCCCCc1cc2cc(/C(C)=N\NC(=O)c3ccccc3)c(=O)oc2cc1O 4738447 HDEZNVMNXXZUKB-XYGWBWBKSA-N 406.482 4.775 50 50 HJGA biogenic O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2cc3ccccc3cc21 136657137 XRZQIPZRFLYILV-LSGCGUROSA-N 418.448 4.687 50 50 HJGA O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)ccc1O 2907655 IULBZQCWYLAVRM-UFFVCSGVSA-N 401.677 4.662 50 50 HJGA Nc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3186036 XZVWEMDXMNXYDL-VULFUBBASA-N 415.884 4.539 50 50 HJGA CCCCc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6390586 DLFINZKHJVNIAP-UHFFFAOYSA-N 401.601 4.589 50 50 HJGA COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 19761064 OUIARJWJYUHIBB-SBUREZEXSA-N 400.478 4.589 50 50 HJGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1 659777 DJWUXDQGZILHMJ-ZVHZXABRSA-N 414.421 4.729 50 50 HJGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4229630 QTUWBQQHCLMBIE-PVLQNKMRSA-N 403.869 4.959 50 50 HJGA CC(C)(C)C[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c2C1 5296006 PBAJNEUTTPOIJO-CAUYNWHBSA-N 404.514 4.574 50 50 HJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1F 212114976 AQRSBWPKMUFFHP-AQTBWJFISA-N 409.424 4.619 50 50 HJGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccc3ccccc3c2)c1 5028680 JNOXZHRKBSVSHN-PCLIKHOPSA-N 405.523 4.572 50 50 HJGA CC[C@H](Nc1ccc(Cl)cc1)C(=O)NN=C(C)c1ccc(Br)cc1 245246477 MOQAKKMXXUEHLT-KRWDZBQOSA-N 408.727 4.833 50 50 HJGA CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3sccc32)NC(=O)CCl)cc1 1875386291 MDQUUYHMDDDHJR-RTBURBONSA-N 418.990 4.504 50 50 HJGA CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1 1225248 VMNXPUCTWIHZCR-UHFFFAOYSA-N 401.509 4.532 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 939162 OOCJZFSWSZJDAT-QFIPXVFZSA-N 420.472 4.766 50 50 HJGA O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1cc(O)cc(O)c1 13322035 VYBHYZPTARYMTO-BRJLIKDPSA-N 419.868 4.518 50 50 HJGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2F)c(O)c2ccccc21 100658370 IYYWZKXBXQCLFM-WGOQTCKBSA-N 423.488 4.581 50 50 HJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)c(O)c(Cl)c1 4208020 UKTRXNWIBDCWAT-FBCYGCLPSA-N 412.323 4.551 50 50 HJGA COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 2513471 RIESMGMUMWYZTD-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 2885223 XMFIOWBWNWDACG-UHFFFAOYSA-N 415.493 4.557 50 50 HJGA CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 4372555 USRYICPGQYZFHX-VKELSTCCSA-N 418.493 4.582 50 50 HJGA O=C(Nc1ccc(Cc2ccc(NC(=O)OCCCl)cc2)cc1)OCCCl 2162153 ILRJFWFKCLXWPR-UHFFFAOYSA-N 411.285 4.852 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1 2519936 BEAPVMBDILPWED-WGOQTCKBSA-N 420.440 4.598 50 50 HJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 1022589 COMKBWWFRCFRIJ-HXUWFJFHSA-N 420.856 4.553 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1 1199274 NHRSSKWFYUYXGK-NRFANRHFSA-N 408.548 4.958 50 50 HJGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1 5319091 JBJJCXLOOLOOJH-FSJBWODESA-N 417.296 4.936 50 50 HJGA COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)o1 953066250 MATFLXNTIXMWFY-GHRIWEEISA-N 400.434 4.896 50 50 HJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccc(Cl)cc1 2584898 ZISNWAXMJYNGMF-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 9007496 MPNSNTZBHSVGOS-NVNXTCNLSA-N 423.450 4.808 50 50 HJGA COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1OC 4948991 IRTFLHDNCSQFJH-KSEXSDGBSA-N 403.265 4.928 50 50 HJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 100078147 WMXGHVCQUVNJPO-DFBJGRDBSA-N 413.521 4.646 50 50 HJGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 2867936 XVWWBCVXWXHCMF-UVTDQMKNSA-N 407.451 4.533 50 50 HJGA Cc1cc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)ccc1Cl 2769684 YIRBJZDJYZUAOW-FQEVSTJZSA-N 410.857 4.635 50 50 HJGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12 1952546 JJFZSMRUZNISSE-MZJWZYIUSA-N 415.880 4.527 50 50 HJGA Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])o1 3186658 PXFZVOGXMXEBCK-FSJBWODESA-N 415.490 4.739 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 2565254 QEUFOVBHMPRKBA-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1F 4136429 GJFRHHPGPQLVJE-FQEVSTJZSA-N 409.486 4.532 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584769 RDPDYTJPCHHXHA-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)c1 5059265 DGIUNVQXFNSVQD-QINSGFPZSA-N 402.406 4.589 50 50 HJGA CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)o2)cc1 654845 NKKGZBZLLXDORD-ZVHZXABRSA-N 421.453 4.828 50 50 HJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 945726 BXZGVSJYXKNBLP-WGOQTCKBSA-N 410.477 4.728 50 50 HJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(Oc2ccccc2)c1 4283099 PAROIKAWIHHREM-OGLMXYFKSA-N 423.472 4.512 50 50 HJGA CC(/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1)=C\c1ccccc1 5318932 BURZURFOZONXDF-CVKVKLAESA-N 415.316 4.720 50 50 HJGA C=CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 2292365 XPMYDRHISXGCET-GOSISDBHSA-N 406.507 4.532 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nc2ccccc21 1303357 FZUSYQWEPZNKEQ-UFFVCSGVSA-N 407.326 4.605 50 50 HJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)s1 1162474 NEVNYNCIMKWCIB-HXUWFJFHSA-N 420.494 4.523 50 50 HJGA O=C(Nc1ccc(F)cc1)[C@H](Br)[C@@H](Br)c1ccccc1 1741271 DOXHHEOFUVDLPL-UONOGXRCSA-N 401.073 4.664 50 50 HJGA C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc(Br)s1 4964380 VNTIUYUOZUBLRO-UDWIEESQSA-N 403.301 4.583 50 50 HJGA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 2924694 MDBFAGHAMMEXRZ-LRULAXNGSA-N 413.477 4.668 50 50 HJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(F)c(F)c1 1775977037 VMKQCWWPTBNWDV-OAQYLSRUSA-N 422.362 4.541 50 50 HJGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 2543123 FPERLULFRSLOBV-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 245226756 KFLVYUCNGBMMDP-MHXJAFHZSA-N 401.850 4.785 50 50 HJGA CC(CCc1ccccc1)=NNC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 245238999 DJQUGBPWUFJUPO-UHFFFAOYSA-N 406.313 4.837 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(C(F)(F)F)c1 755734 OUJQFDCADNSDTI-QRWLVFNGSA-N 410.395 4.914 50 50 HJGA C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 4894729 HPWCGQOMALGPKI-HXUWFJFHSA-N 407.495 4.542 50 50 HJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccs3)nc3ccccc32)cc1 13239218 QOBOEIIPWXWYAT-YDZHTSKRSA-N 420.563 4.697 50 50 HJGA CCO[Si](CCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC 197018992 NRYWFNLVRORSCA-UHFFFAOYSA-N 410.700 4.644 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc(Br)cc1 5353240 HGGJRTGAGGCTOF-SRZZPIQSSA-N 417.694 4.647 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccsc1 8809698 YPKLYJGGYCZUSI-LJQANCHMSA-N 420.494 4.597 50 50 HJGA CCOC(=O)CC/C=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833599 MLIVNTCDENSLHY-KGENOOAVSA-N 410.630 4.853 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 5318968 MKUNYVMPDFVNHE-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1 1197107 ZGHMAEMHSAWVKV-YDZHTSKRSA-N 419.282 4.756 50 50 HJGA CCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2cc(Cl)ccc2OC)c1 17090445 DWTGASQUCOKUCE-QFEZKATASA-N 415.921 4.877 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 706052 IQXGGJHATGIYJN-MGPUTAFESA-N 421.294 4.658 50 50 HJGA O=C(Nc1ccc2c(c1)Cc1cccc(NC(=O)C(Cl)Cl)c1-2)C(Cl)Cl 1695016 RNOYXUHTKXVPRW-UHFFFAOYSA-N 418.107 4.742 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc(-c2ccccc2)cc1 12362363 MTOWJIAWXUQKNW-YZSQISJMSA-N 414.534 4.873 50 50 HJGA C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2csc(C)c2)cc1 13321941 XEAYMNVYWILWHS-ICUDKFICSA-N 417.534 4.953 50 50 HJGA CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 257347826 VJGLIYQCQCELBZ-DPTDLXHYSA-N 411.380 4.903 50 50 HJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 1022588 COMKBWWFRCFRIJ-FQEVSTJZSA-N 420.856 4.553 50 50 HJGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccccc4)n[nH]3)cc2)cc1 9087426 AQNQJAHQOVMLKA-WGOQTCKBSA-N 410.477 4.728 50 50 HJGA Cc1cc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(Cl)cc2)c2cccc(C)c2n1 13321535 IUUMBHUVXMOMHD-ROTLSHHCSA-N 403.873 4.659 50 50 HJGA CC(C)Cc1cc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)c2ccccc2n1 17091099 VBCVTCZUBXIOEG-OXVLKEGXSA-N 417.509 4.756 50 50 HJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccncc2I)C1 169794103 OQDLUWCIEIGPID-ZDUSSCGKSA-N 418.395 4.534 50 50 HJGA in-vitro Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(F)c1 1775977028 VLWDPTSLGHENHV-QFIPXVFZSA-N 418.399 4.711 50 50 HJGA CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1O 5009639 RZSSZKGJIJZWMU-CXUHLZMHSA-N 408.479 4.996 50 50 HJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc(F)cc1 211407335 RAAOQEHLMQMJHX-AQTBWJFISA-N 409.424 4.619 50 50 HJGA C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2csc(C)c2)cc1 13321947 XEAYMNVYWILWHS-VHQYHORASA-N 417.534 4.953 50 50 HJGA CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 13943559 UDSBSNUHLGMLFL-QPEQYQDCSA-N 416.264 4.876 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 659271 KDNNKGOGBWGZFU-LHSJRXKWSA-N 406.869 4.557 50 50 HJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(Cl)cc1Cl 4171024 KGLQOSATUXYUEW-HNNXBMFYSA-N 401.228 4.741 50 50 HJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4366254 GMGSBVFZKREYBZ-SCELWYEFSA-N 408.885 4.837 50 50 HJGA C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 12342871 DPKURUSOSXENKA-ITYLOYPMSA-N 414.534 4.717 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1cc(O)ccc1O 13321533 DCEMQIBRPZSPPX-JVWAILMASA-N 411.461 4.775 50 50 HJGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Cl)cc1 17089454 CVQGRRQJCRLULV-JYRVWZFOSA-N 413.264 4.938 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1cccs1 1057286 JBMSBBQITQOLNQ-LJQANCHMSA-N 420.494 4.597 50 50 HJGA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 4646372 QEVJQXKAZDNXDO-HEFMIWDDSA-N 410.386 4.933 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 1191763 RSQYWUQXBGLNQS-HMMYKYKNSA-N 414.509 4.714 50 50 HJGA O=C(Nc1cccc(C(=O)CBr)c1)Nc1cccc(C(F)(F)F)c1 43191251 ZOJCFTXERUSJBR-UHFFFAOYSA-N 401.182 4.927 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1 705513 QVUHXCZCIZDVNL-NRFANRHFSA-N 405.885 4.653 50 50 HJGA CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1915674 AGPKYEYVTLTVHS-LDADJPATSA-N 405.903 4.866 50 50 HJGA Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 2771844 QALPUJFURZYEJB-CQSZACIVSA-N 401.601 4.839 50 50 HJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4258850 OEHNQMDVMVJYKJ-ZVHZXABRSA-N 407.857 4.530 50 50 HJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2c(=O)[nH]1 102683909 GDFVCXOSSFWUOG-SSZFMOIBSA-N 421.485 4.901 50 50 HJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 1679915 AFJFPVJYDDLXJN-BPYXDGQXSA-N 404.084 4.967 50 50 HJGA CCOc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2542475 XHSSZHVTGMTKDC-MFKUBSTISA-N 422.868 4.722 50 50 HJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc(O)cc1 4259661 MRCPSJBOMVMHPN-WGOQTCKBSA-N 410.429 4.529 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491694 WCCVKAYHSCWCEN-SVSQWYSXSA-N 404.547 4.944 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 752692 RBNOCQDYTUIIEB-FOIQADDNSA-N 410.395 4.914 50 50 HJGA CCCOc1cccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)c1 15934144 MXESDORAHUAYJP-WPWMEQJKSA-N 410.477 4.850 50 50 HJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc2ccccc12 2553462 PQVPUGZBBJTIJS-YZSQISJMSA-N 409.445 4.721 50 50 HJGA CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(O)ccc1O 13321531 UWLZUJNFKLPMLP-MEFGMAGPSA-N 411.461 4.857 50 50 HJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 4292995 AHMZSTKPGCMFLP-WPWMEQJKSA-N 423.472 4.508 50 50 HJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 245226620 GROKGQJVNZNIGU-BVNRNSLPSA-N 401.850 4.785 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 706049 IQXGGJHATGIYJN-QRWLVFNGSA-N 421.294 4.658 50 50 HJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 2520122 XKTNICVZWQLYQH-WGOQTCKBSA-N 420.440 4.598 50 50 HJGA O=C1C(Sc2ccccc2)=C(Sc2ccccc2)C(=O)N1CBr 3130431 NDCXJCKEGXPKSO-UHFFFAOYSA-N 406.326 4.504 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1 4230055 APABOPPDMAIUTL-WGOQTCKBSA-N 420.440 4.598 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 2529654 YEUYZVLXFGPHTL-MFKUBSTISA-N 422.868 4.722 50 50 HJGA CCOC(=O)CC/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1501069136 MLIVNTCDENSLHY-STZFKDTASA-N 410.630 4.853 50 50 HJGA COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)c1 15012337 AWRTXVONWSPYMH-BKUYFWCQSA-N 413.477 4.735 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 19789823 GHEIGFYMIYKKMS-RQZCQDPDSA-N 409.405 4.863 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccco1 5020070 WXLWJWKUOICBOB-FQEVSTJZSA-N 412.898 4.834 50 50 HJGA O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95669850 ZILWJLIFAGWGLE-UHFFFAOYSA-N 416.055 4.857 50 50 HJGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210679 ZMCQHKWHHFIIGU-CAUYNWHBSA-N 403.869 4.959 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 100195477 YAMTZUZWURNHAX-MFOYZWKCSA-N 408.417 4.653 50 50 HJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 43190708 CGWGTMDBNWQMMT-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 253498916 AUKSBJWTRCVBGS-ZSPQEPAUSA-N 409.574 4.571 50 50 HJGA biogenic N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 706050 IQXGGJHATGIYJN-YWZLYKJASA-N 421.294 4.658 50 50 HJGA CCn1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c(C)n1 6636585 GRXRNKWMRLDAIP-VULFUBBASA-N 411.509 4.807 50 50 HJGA CC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)C3CCCCC3)cc2)cc1 17090626 TVLCQZMSGAWZQC-RCCKNPSSSA-N 416.477 4.921 50 50 HJGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1F 4751361 TXEGOFXPENKWPT-SFHVURJKSA-N 413.246 4.903 50 50 HJGA CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccoc3C)ccc21 100202829 OTQJUPBQTDJDDN-CVKSISIWSA-N 416.481 4.850 50 50 HJGA CCN(CC)P(=O)(c1c(C)n(C)c2ccccc12)c1c(C)n(C)c2ccccc12 631122 WPESULTWVRHRSC-UHFFFAOYSA-N 407.498 4.858 50 50 HJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1 705427 MFNBHXASGJKBHS-QFIPXVFZSA-N 418.928 4.711 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)C=O)[C@@]34CC[C@]2(C1)OO4 257357957 QYULYNHVAKXRSR-ABDAVGPTSA-N 402.531 4.539 50 50 HJGA CCc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)cc1 5317629 HKODIPMCYUOIHJ-FLKYWJEUSA-N 423.314 4.791 50 50 HJGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2C)c1 17088929 WMYBEADOYIHRMW-HOAAPFESSA-N 411.505 4.891 50 50 HJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)cc1 3034790 CPKGUCCBAABHJQ-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA COc1cccc(/C=C(/C#N)C(=O)Nc2sccc2C#N)c1OCc1ccccc1 17090297 IRMMRFPUUWPNKR-UNOMPAQXSA-N 415.474 4.753 50 50 HJGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCc1ccccc1 5073019 POWQMRIVOWNJIF-MHWRWJLKSA-N 406.825 4.522 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2530533 QZMMLNXSYSZNCT-MFKUBSTISA-N 422.868 4.722 50 50 HJGA c1ccc(C[C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1 137787091 PXKBZZCPBWBSKT-HSZRJFAPSA-N 421.480 4.833 50 50 HJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)o3)c3ccccc3n2)c(OC)c1 1003479 PECXJKFVRMRMML-AFUMVMLFSA-N 415.449 4.584 50 50 HJGA Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 2771845 QALPUJFURZYEJB-AWEZNQCLSA-N 401.601 4.839 50 50 HJGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 4293246 QAEIGFFKKSBQIB-MFKUBSTISA-N 408.885 4.620 50 50 HJGA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 4646373 QEVJQXKAZDNXDO-RIYHPOFDSA-N 410.386 4.933 50 50 HJGA c1ccc(P(=NCn2nnc3ccccc32)(c2ccccc2)c2ccccc2)cc1 8384731 IOSUDUVEOWKKBL-UHFFFAOYSA-N 408.445 4.567 50 50 HJGA N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Br)c1 32625349 NANVLJYPKAREHU-WDZFZDKYSA-N 406.623 4.556 50 50 HJGA CC(C)c1ccc([C@H](CNC(=O)c2cccc3sccc23)NC(=O)CCl)cc1 1875386572 UJNCCVGRDXMCNZ-IBGZPJMESA-N 414.958 4.851 50 50 HJGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 17082840 FRGKWWGZAOHXDT-FOWTUZBSSA-N 404.447 4.873 50 50 HJGA C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 667749 RBDDZPJKBDJUBZ-OGLMXYFKSA-N 414.509 4.785 50 50 HJGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21 2290362 QHHFIBWFLMAJES-WGOQTCKBSA-N 423.488 4.581 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccccc1 4180897 SWEZFGJGENRFEF-NRFANRHFSA-N 414.465 4.536 50 50 HJGA COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 19761067 OUIARJWJYUHIBB-UZUQRXQVSA-N 400.478 4.589 50 50 HJGA COc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1OCc1c(Cl)cccc1Cl 17090970 PSVYQTNMFIQRHZ-GXDHUFHOSA-N 417.292 4.767 50 50 HJGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 2520962 SHOPDXWVZZFOLN-OAQYLSRUSA-N 405.885 4.653 50 50 HJGA CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744173 FANKZBUVUNWLTK-OALUTQOASA-N 423.834 4.895 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 253500055 VJGLIYQCQCELBZ-PPUWAGDWSA-N 411.380 4.903 50 50 HJGA biogenic Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)c1 1775976061 NXOBXMDNDOAARI-JOCHJYFZSA-N 418.399 4.711 50 50 HJGA C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCC2)cc1 4615145 STHJHLFLNHRQCD-WYMPLXKRSA-N 404.297 4.886 50 50 HJGA N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc([N+](=O)[O-])c1 16384074 MRUJMSLWJXBDQA-JAIQZWGSSA-N 400.390 4.936 50 50 HJGA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 4646371 QEVJQXKAZDNXDO-JLTDYICRSA-N 410.386 4.933 50 50 HJGA Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1[N+](=O)[O-] 30860455 FDWVSTSXZUOORL-QFEZKATASA-N 412.449 4.670 50 50 HJGA COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1COc1ccc(C#N)cc1 2101712 PSIYPEHLWIUTHD-VULFUBBASA-N 419.868 4.563 50 50 HJGA Cc1[nH]nc2c1[C@H](c1cc(CSc3ccc(Cl)cc3)cs1)C(C#N)=C(N)O2 1058974 JSBGWMREIYCKDV-KRWDZBQOSA-N 414.943 4.944 50 50 HJGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nn(-c2ccccc2)c(N)c1C#N 8435169 ROMNURDJRFJDRK-NTCAYCPXSA-N 422.404 4.559 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 18272130 MKMSJHZQWVAQDV-CXUHLZMHSA-N 409.405 4.863 50 50 HJGA CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1NC(=O)C1CC=CC1 241170972 KDFHTEYWPWNVBY-UHFFFAOYSA-N 410.428 5.876 50 50 HJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cc(Br)cs1 12412720 GNUJZOGHPIHXNW-INIZCTEOSA-N 419.300 4.655 50 50 HJGA CCOc1c(/C=C(\C#N)C(N)=O)c2ccccc2n1-c1c(Cl)cccc1Cl 754589 LPACMEKVBRMONQ-ZRDIBKRKSA-N 400.265 4.728 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)c(C(F)(F)F)c1 799753146 PSHOWCQODXORAX-UHFFFAOYSA-N 401.310 4.829 50 50 HJGA Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)c1 1775976063 NXOBXMDNDOAARI-QFIPXVFZSA-N 418.399 4.711 50 50 HJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc(Cl)c2)[nH]n1 945738 LFEHVUNOFNTOBJ-ZMOGYAJESA-N 404.857 4.656 50 50 HJGA Cc1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)cs1 6826129 JZFLSZNXYGULJQ-ZMOGYAJESA-N 400.507 4.732 50 50 HJGA CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1 953017020 BDRYRCOWGNGLDN-XDJHFCHBSA-N 406.482 4.869 50 50 HJGA Cc1n[nH]c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CCCC3=O)c1-c1ccccc1 4736626 BGUWQTPVSCCPGJ-HSZRJFAPSA-N 421.504 4.690 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 939161 OOCJZFSWSZJDAT-JOCHJYFZSA-N 420.472 4.766 50 50 HJGA O=C(N/N=C/c1cccs1)c1cc(C2CC2)nc2ccc(Br)cc12 1003485 UCTFROYDANOBJQ-KEBDBYFISA-N 400.301 4.700 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2121591 HAQZTEWQXRUDSW-RQZCQDPDSA-N 408.417 4.653 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)ccc1O 2533908 HULYKZXAZZVHLJ-AFUMVMLFSA-N 424.884 4.787 50 50 HJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 1210495 UMIZMKFPTMPDPH-MFKUBSTISA-N 400.869 4.957 50 50 HJGA N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1 1210707 LYCOKMWAQQGUOE-XDJHFCHBSA-N 420.472 4.826 50 50 HJGA CC(=NNC(=O)[C@@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 245254051 ZISJBMAALUZZHK-CYBMUJFWSA-N 408.727 4.752 50 50 HJGA COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 252499852 SGQPIVJBTGDCDL-VBKFSLOCSA-N 406.825 4.932 50 50 HJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1n[nH]c2c1CCc1ccccc1-2 945283 HWNXPFFXUUAPNO-WGOQTCKBSA-N 408.461 4.732 50 50 HJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5033862 RWSRPRGWXIWFGG-VULFUBBASA-N 414.509 4.500 50 50 HJGA C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccc(Cl)s2)c1 4647119 YFSVRAPAXCIRBK-JJFYIABZSA-N 401.875 4.709 50 50 HJGA COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)ccc1Cl 1192060 MSYBQSRUNJKYIY-RVDMUPIBSA-N 406.825 4.932 50 50 HJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 4994860 ORZYBYUTRRUJPE-ZMOGYAJESA-N 404.857 4.656 50 50 HJGA O=C(N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 4474076 GXIXHYZWZPAUCO-ZBQDVAGSSA-N 412.114 4.752 50 50 HJGA N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 95511660 JPGZYHUPRKKRAJ-KAMYIIQDSA-N 416.418 4.801 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2Br)c(C(F)(F)F)c1 799747733 HJCILHVJSODSOK-UHFFFAOYSA-N 418.600 4.750 50 50 HJGA Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 32603812 GMGRBHLICGXDTP-QFEZKATASA-N 418.884 4.639 50 50 HJGA COc1ccc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 238901773 MOPVDAOSJPEYES-LJQANCHMSA-N 424.500 5.433 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@@H](C)C=O)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347708 QYULYNHVAKXRSR-AGCMOXTJSA-N 402.531 4.539 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 659265 KDNNKGOGBWGZFU-SZNDQCEHSA-N 406.869 4.557 50 50 HJGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1 9008215 ZRRCAAUAUHNVSM-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA C#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 1210954 KLOOAKYUQDEKRA-PTNGSMBKSA-N 404.267 4.583 50 50 HJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 2573550 VBUSGICENSTTNV-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 3105457 RKXBCHOYHNWLAF-HSZRJFAPSA-N 413.521 4.945 50 50 HJGA COCO[C@H]1C[C@H]2/C(=C\C(=O)OC)CC[C@H]2[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 169833633 DOWLOUDIBHKIEQ-CIIQRJBCSA-N 424.654 4.921 50 50 HJGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 853085 DWNDIGFEVFOJLI-UHFFFAOYSA-N 420.512 4.798 50 50 HJGA C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 5920417 HJIVGUPCYXNPFE-SCELWYEFSA-N 407.901 4.870 50 50 HJGA Cc1cc(-c2n[nH]c3c2[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)c(C)s1 16293229 HDHVFYONAZBLBI-OAHLLOKOSA-N 416.428 4.992 50 50 HJGA N#CCC(=O)NNCc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 1207503 RVXPIVGPVRSKHI-UHFFFAOYSA-N 406.489 4.846 50 50 HJGA O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1 1954180 LHFCUKPIFIYPKI-OGLMXYFKSA-N 409.489 4.981 50 50 HJGA Cc1cccc(-c2cccc(C(=O)NNC(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)c2)c1 1447162844 LDBTWJCNZINJSR-UHFFFAOYSA-N 424.504 4.744 50 50 HJGA N#CC1=C(N)SC(N)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 639925 SYPPMNRZBCSRAD-HNNXBMFYSA-N 402.306 4.571 50 50 HJGA Cc1ccccc1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 2103734 HCKAPNKIZBIPJL-MFKUBSTISA-N 410.433 4.882 50 50 HJGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)n(-c3ccccc3)n2)cc1 5494639 IJKQPORJROXMGI-NLRVBDNBSA-N 410.477 4.702 50 50 HJGA COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 8934962 ZREIJHYVNKQUKA-JXAWBTAJSA-N 424.460 4.653 50 50 HJGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 2702164 PRBVXLFZEZJRHZ-WGOQTCKBSA-N 411.461 4.770 50 50 HJGA CC(/C=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)=C\c1ccccc1 5314317 JWGHSTVUZZKDNK-XKLXYYIZSA-N 424.508 4.698 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 752398 QSMUAOAFNMKYCX-FOIQADDNSA-N 421.294 4.658 50 50 HJGA CCCOc1ccc(/C=N/NC(=O)c2cc(CCC)nc3ccccc23)cc1OC 2110124 ODSXMLSYAQXEJC-PCLIKHOPSA-N 405.498 4.749 50 50 HJGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 2584902 DJLVYGRGMKGUDI-MFKUBSTISA-N 407.901 4.749 50 50 HJGA Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1 2855352 PNOIVJCHAICQLA-CPNJWEJPSA-N 400.438 4.856 50 50 HJGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/C=C/c1ccccc1 3167147 SMDYOTIJLYMBEM-SCSVJWDPSA-N 400.478 4.848 50 50 HJGA COc1ccc(OC)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 19770406 ZSEBQROJISCGGJ-MZNJEOGPSA-N 400.478 4.589 50 50 HJGA IC[C@@]12CC=CC[C@]1(CI)CCCC2 101137516 ISLRBCQNKPGLSB-TXEJJXNPSA-N 416.084 4.753 50 50 HJGA O=C(O)c1ccc(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)cc1 828558408 BOONYEIEJLYINH-ZXVVBBHZSA-N 409.425 4.894 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 1106087 OPDRNMFRRKASSG-NTCAYCPXSA-N 403.394 4.799 50 50 HJGA O=C(NNc1ccc2ccccc2n1)c1cc(-c2cccs2)n(-c2ccccc2)n1 777465471 NGEOEBRLQVMERQ-UHFFFAOYSA-N 411.490 4.906 50 50 HJGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3167139 BBECDGQWHREQFP-YZSQISJMSA-N 402.494 4.747 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 5354311 OUBBGDFMXSNELR-YZSQISJMSA-N 410.477 4.906 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 4723197 APYVHMLNEAAMHD-VBKFSLOCSA-N 403.394 4.799 50 50 HJGA CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1cccs1 17091778 SBCMGKDYBBEQHP-GDNBJRDFSA-N 419.344 4.913 50 50 HJGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 713928 IFZVSWYBZDYSDV-JOCHJYFZSA-N 403.457 4.529 50 50 HJGA C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 8454023 ADTVZRZQQCEVOX-WYMPLXKRSA-N 415.877 4.947 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1Cl 644106 HDJKLAYXVXTPOS-OAQYLSRUSA-N 406.869 4.734 50 50 HJGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2568391 KXGKOECXLKENBL-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1n[nH]c2c1CCc1ccccc1-2 5297623 KMLMWDMMDPQLTB-JVWAILMASA-N 422.488 4.518 50 50 HJGA O=C(N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O)c1ccc(Cl)s1 17082278 UIXZCKSHRCQSIM-PTXOJBNSSA-N 401.658 4.579 50 50 HJGA CCOC(=O)C1=C(c2ccc(Cl)cc2Cl)OC(N)=C(C#N)[C@H]1c1ccccc1 652206 LXWZOWKWBFDNNJ-QGZVFWFLSA-N 415.276 4.775 50 50 HJGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1 2391527 RKLDWBOLUCWVKT-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 1188698 DBEQXYRLYYWHMD-XMHGGMMESA-N 402.473 4.845 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Br)cc1 13892788 BALJAMDCIWFQJU-RGVLZGJSSA-N 420.357 4.691 50 50 HJGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/C=C/c1ccccc1 4372629 SMDYOTIJLYMBEM-HJDRKQPPSA-N 400.478 4.848 50 50 HJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3)nc3ccccc32)cc1 13563321 ABSAKMIHLZLDDL-MFKUBSTISA-N 414.534 4.635 50 50 HJGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccccc1Cl 2509168 XTSOYKDUIUPEKP-ZVHZXABRSA-N 414.889 4.598 50 50 HJGA COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 3139254 BISNYBNGIICEOG-AUEUWSLNSA-N 404.897 4.805 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2428650 NIZZEPPRIRRQCQ-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 2898463 AVLAVBKEJZXABQ-IKMPRTQCSA-N 403.320 4.882 50 50 HJGA CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC 197158266 NYIKUOULKCEZDO-UHFFFAOYSA-N 410.349 4.893 50 50 HJGA in-vitro CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 2519928 AETKRVMMFYXBBR-HZHRSRAPSA-N 408.479 4.520 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)C=O)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257357958 QYULYNHVAKXRSR-SUYZMKTOSA-N 402.531 4.539 50 50 HJGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 1188845 TVOBCRDFDDYOAQ-WOJGMQOQSA-N 418.428 4.996 50 50 HJGA O=C(Oc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2O)c1)c1cccs1 13322124 FFBSAULFUQWCBU-ZVHZXABRSA-N 416.458 4.590 50 50 HJGA N#C/C(=C\c1ccc(O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 16671744 DDCBTFQHFONBIV-VGOFMYFVSA-N 417.402 4.594 50 50 HJGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1 6762558 OZBAZEPBXGKJSN-XMHGGMMESA-N 402.425 4.959 50 50 HJGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)c(C)s1 27550625 ZXSMNBCHTAIUPX-FQEVSTJZSA-N 420.494 4.578 50 50 HJGA C=CCOc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 12393032 IINXEAXAUUFZFA-NVNXTCNLSA-N 415.243 4.995 50 50 HJGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)c1)C2 2902033 LLMUIEYDSIDNBR-JFLMPSFJSA-N 412.537 4.654 50 50 HJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4n3)cc2)cc1 4210118 UUTSFICLWWOFDH-WGOQTCKBSA-N 409.445 4.526 50 50 HJGA O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 2435804 NYGKXJXOIKBORD-UHFFFAOYSA-N 409.125 4.932 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 2687759 MVCNXDJGVNDKIO-ZXVVBBHZSA-N 416.569 4.907 50 50 HJGA CC1(C)CCC2=C(C1=O)[C@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 4616245 NBNVWIDOLCUINZ-OAQYLSRUSA-N 400.478 4.716 50 50 HJGA Cc1cc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)ccc1Cl 2769683 YIRBJZDJYZUAOW-HXUWFJFHSA-N 410.857 4.635 50 50 HJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cc2ccccc2nc1Cl 2521723 NMHCDRUNBXLMJC-LSFURLLWSA-N 408.672 4.724 50 50 HJGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 720217 JFDWJZJNKCZXHS-LJQANCHMSA-N 411.839 4.923 50 50 HJGA Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C 1188293 SFEMSJGWRYVIAM-CPNJWEJPSA-N 400.438 4.856 50 50 HJGA CC(C)CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1nccs1 17092104 NOHLPCPRDUWMPK-NTEUORMPSA-N 420.332 4.876 50 50 HJGA CO[C@@H]1[C@@H](C)C[C@H]2C[C@@]3(C)C[C@H](OC(C)=O)C(C)(C)[C@H]3C[C@@H](Cl)[C@@](C)(O)C[C@H]21 71786681 PKUYUZSCAWMRMB-VECNMPCUSA-N 415.014 4.800 50 50 HJGA CCc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(C)=O)=C(C)N2)cc1 1199066 QCGFIJGOECVRBW-QFIPXVFZSA-N 406.507 4.743 50 50 HJGA aggregator Cc1ccc(CSCC(=O)NNC(=S)Nc2cccc(Cl)c2Cl)cc1 6788290 COFGUBGVNLMMKY-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1OC 5494544 DNTIGYSBAHRXBH-YZSQISJMSA-N 415.493 4.742 50 50 HJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 729237 VAUZMUYPQBCXCI-HXUWFJFHSA-N 410.857 4.777 50 50 HJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 2929360 SOXSEKKHSFOSHR-SCELWYEFSA-N 408.885 4.837 50 50 HJGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 832229 HYCMRVQTMKPJNG-RCCHARBYSA-N 406.489 4.533 50 50 HJGA CC1(C)CCC2=C(C1=O)[C@@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 2532507 NBNVWIDOLCUINZ-NRFANRHFSA-N 400.478 4.716 50 50 HJGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 4828639 FTJPTTYNINTLHQ-OQLLNIDSSA-N 401.403 4.889 50 50 HJGA COc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3C)o2)cc1Cl 1234584 ZECBUSAMDREZFW-WYMPLXKRSA-N 412.873 4.755 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccsc1 1056594 JKVUNMHHWSKBKF-LJQANCHMSA-N 420.494 4.597 50 50 HJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1056570 ZRFPLXXCVAJNQI-HXUWFJFHSA-N 420.856 4.553 50 50 HJGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1 2899660 FXPPFEWDJVILEO-UEIZDATPSA-N 411.299 4.910 50 50 HJGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 4229989 DNMCTOHJRQMVHN-MZJWZYIUSA-N 415.880 4.527 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cccnc1 1057070 YGKKOKKOSGOTFV-FQEVSTJZSA-N 404.901 4.676 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(F)cc1 16676290 PZNUHZRVZBHLKP-JOCHJYFZSA-N 424.472 4.866 50 50 HJGA COc1ccc(/C=N\NC(=O)c2cccs2)cc1COc1ccc(Cl)cc1 32573615 ACBBKPJNMMWHNC-UUYOSTAYSA-N 400.887 4.753 50 50 HJGA C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2csc(C)c2)cc1 13321943 XEAYMNVYWILWHS-RWCMISGISA-N 417.534 4.953 50 50 HJGA C/C(=N/NC(=O)c1csc2ccccc12)c1ccc(NC(=O)C(F)(F)F)cc1 17083139 XWPNULJSWWUQDP-MYKKPKGFSA-N 405.401 4.556 50 50 HJGA O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc2c(c1)OCO2 766549616 XBAGKYRGLKTQDN-UHFFFAOYSA-N 403.350 4.874 50 50 HJGA C/C(=N/NC(=O)c1cccnc1)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 4615105 AOSIWSKBRGBTNI-QRQIAZFYSA-N 414.509 4.785 50 50 HJGA Cc1n[nH]c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CCCC3=O)c1-c1ccccc1 4736627 BGUWQTPVSCCPGJ-QHCPKHFHSA-N 421.504 4.690 50 50 HJGA COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c(C)c1 15723518 STLZVGSRQILODH-STZFKDTASA-N 413.477 4.735 50 50 HJGA CCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19720543 ZMEOBOGLOHNTNX-NRFANRHFSA-N 405.523 4.783 50 50 HJGA COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1 170593726 OCRMNBSGQIHZQB-UHFFFAOYSA-N 417.377 4.931 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2578297 OTBDUJRZLOTNOC-DHRITJCHSA-N 412.848 4.831 50 50 HJGA C[C@@H](NC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2)c1ccccc1 2731655 SRWUHYXWBJXDQP-GDBMZVCRSA-N 415.628 4.769 50 50 HJGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5354072 QKRJTQHOVKDULF-KDTWAZFRSA-N 415.280 4.821 50 50 HJGA N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)Sc1nc2ccccc2s1 1063134 VHDQRTVIALOCDK-RVDMUPIBSA-N 404.520 4.783 50 50 HJGA C/C(=N\NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccc(O)cc1 17093781 BZXNZWIPIQRJBY-WYMPLXKRSA-N 424.298 4.734 50 50 HJGA N#CC1=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1064116 QRTBBZWUXIBFLP-LJQANCHMSA-N 411.292 4.693 50 50 HJGA CCNC(=S)NNC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12 2112559 YVLBPQVYLCEIGX-HNNXBMFYSA-N 406.555 4.544 50 50 HJGA N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 2872366 ZEQBLGHPCJVPBF-QGOAFFKASA-N 417.396 4.816 50 50 HJGA Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1F 826691990 JEBWQGYJRNWIHL-JOCHJYFZSA-N 418.399 4.711 50 50 HJGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 8453924 CIJMEXLQBXOJBR-JFLMPSFJSA-N 423.875 4.814 50 50 HJGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 4296359 VKSDWXXHALMOLP-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(OCc2ccccc2)cc1 5494569 CQOMAPFPNQRIBG-AUKLSUENSA-N 400.478 4.850 50 50 HJGA COCO[C@](C)(CCCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C 169836574 IXLMGYOXAUFTOA-HXUWFJFHSA-N 416.656 4.642 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1F 2585061 NNBBTHWSMCYZDZ-JVWAILMASA-N 412.420 4.962 50 50 HJGA COc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1OC 43761106 HIHXFLLIORPZTF-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)o2)cc1 1192024 JSBJMXWFSXCZRA-NBVRZTHBSA-N 416.433 4.678 50 50 HJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 4260560 YCAXWOOVCAUZTG-NLRVBDNBSA-N 416.477 4.849 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@@H](C)C=O)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347710 QYULYNHVAKXRSR-KQTRVHSPSA-N 402.531 4.539 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 4565851 NAROKBZIQIZHPP-WGOQTCKBSA-N 400.507 4.862 50 50 HJGA O=C(N/N=C1\c2ccccc2C(=O)[C@H]1c1ccccc1)c1ccc(Br)cc1 101065588 XVGWNGXAQDOBBW-YVTHNELYSA-N 419.278 4.563 50 50 HJGA IC[C@H]1CN=C(N(Cc2ccccc2)Cc2ccccc2)S1 827777 JIKHOSWQLCKXLL-KRWDZBQOSA-N 422.335 4.595 50 50 HJGA COC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 45329616 PGQNRLGOFPVILA-UHFFFAOYSA-N 411.461 4.967 50 50 HJGA biogenic,in-vitro O=C(N[C@H](NC(=S)Nc1cccc2ccccc12)C(Cl)Cl)c1ccccc1 100727735 DJOKNGKNXKLPIF-GOSISDBHSA-N 418.349 4.686 50 50 HJGA C=COC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195841718 ILHMPZFVDISGNP-UHFFFAOYSA-N 423.807 4.740 50 50 HJGA COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2s1 5175435 UVFZRUPXOSRZIP-WSDLNYQXSA-N 407.520 4.701 50 50 HJGA COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(Cl)Cl 1140346 LTNHLSUNXGAXJZ-UHFFFAOYSA-N 423.115 4.706 50 50 HJGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 5044923 WCHCGNGSJYFXMZ-IBGZPJMESA-N 400.482 4.504 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)C=O)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257347709 QYULYNHVAKXRSR-JNCISBDCSA-N 402.531 4.539 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2529593 ZULSVGFUMFJAOZ-MFKUBSTISA-N 422.868 4.722 50 50 HJGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4229629 QTUWBQQHCLMBIE-CAUYNWHBSA-N 403.869 4.959 50 50 HJGA C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 4674940 OCWYTXBPIJJYNC-LFVJCYFKSA-N 400.438 4.633 50 50 HJGA Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c(C)c1 4956859 OSPMCBTWXZMNNN-IPIVFHEZSA-N 402.454 4.954 50 50 HJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 4981107 UODKTYHIRDVJOP-ZMOGYAJESA-N 404.857 4.656 50 50 HJGA Brc1ccc(P(c2ccccc2)c2ccc(Br)cc2)cc1 138710355 XQTRLZHQNYWEQN-UHFFFAOYSA-N 420.084 4.970 50 50 HJGA CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccccc2C)c(OC)c1 2968848 XLOQEPZGKLBDON-GZTJUZNOSA-N 415.873 4.585 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 5621059 VPGMJRULMUFHPR-WGOQTCKBSA-N 410.433 4.964 50 50 HJGA CCCCSC1=C(C#N)[C@H](c2ccccc2OCC)[C@H](C(=O)OCC)C(O)=N1 9013660 SVZUZLYWASNZSB-ROUUACIJSA-N 402.516 4.587 50 50 HJGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1ccc2ccccc2c1 1772491464 AQOMJVHGLJGQFK-DEDYPNTBSA-N 412.449 4.894 50 50 HJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 4360632 QMMPKTPUUKVIFN-ZMOGYAJESA-N 423.856 4.900 50 50 HJGA COC(=O)C1=C(O)[C@](C)(CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)[C@@H](C)CC1 169832053 MKBWTQCXKAHQHW-WDUKFBBWSA-N 414.615 4.751 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 752399 QSMUAOAFNMKYCX-MGPUTAFESA-N 421.294 4.658 50 50 HJGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CBr)CC[C@@]43C)[C@H]1CCC2=O 254635281 ZACWFFSSQLMXTB-YBCKDWFCSA-N 409.364 4.825 50 50 HJGA N#C/C(=C/c1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 17081818 LJDISRHQMCWTSX-JYRVWZFOSA-N 400.335 4.780 50 50 HJGA CC1=C[C@H](C)[C@H]([C@@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@@H](C)C1 229691079 JAPABBMFYHDZMU-JPMIEVGJSA-N 423.537 4.897 50 50 HJGA C/C(=N/NC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)c2ccc(C)o2)cc1 5795563 URLZXKWIYPSAJP-UUYOSTAYSA-N 401.875 4.709 50 50 HJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2673515 WBNUPKCFUBULML-WPWMEQJKSA-N 424.456 4.588 50 50 HJGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)C(C#N)=C(N)O2 622974 MDCYIEFZHXRRNF-FQEVSTJZSA-N 420.900 4.813 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 4980865 WJVIXGHZPYOMDQ-YZSQISJMSA-N 417.557 4.885 50 50 HJGA COc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)n[nH]3)o2)cc1Cl 18103041 UBBSZYLHZGJWRI-ZMOGYAJESA-N 420.856 4.763 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 659267 KDNNKGOGBWGZFU-SPLOXXLWSA-N 406.869 4.557 50 50 HJGA COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OCc1ccc(F)cc1 1117418 TWLIBCYDNBMGHF-FYJGNVAPSA-N 423.465 4.752 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccco1 1199051 CLHBFMBKXQGXAF-JOCHJYFZSA-N 406.507 4.798 50 50 HJGA COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccoc1C)oc1ccccc12 5042321 GMVQKHOYKZTQPM-DHRITJCHSA-N 419.437 4.631 50 50 HJGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 720215 JFDWJZJNKCZXHS-IBGZPJMESA-N 411.839 4.923 50 50 HJGA c1ccc(P(c2ccccc2)c2ccccc2C2=N[C@H]3c4ccccc4C[C@H]3O2)cc1 146784076 QOXFUKATAROLOT-VPUSJEBWSA-N 419.464 4.888 50 50 HJGA O=C(N/N=C/c1ccsc1)c1ccc(COc2ccccc2Br)cc1 2761718 YZBYRVPCWONNPR-SRZZPIQSSA-N 415.312 4.854 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cccs1 1057288 JBMSBBQITQOLNQ-IBGZPJMESA-N 420.494 4.597 50 50 HJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1 1879336 KIYSTONPHDSWHL-UHFFFAOYSA-N 416.949 4.894 50 50 HJGA CCCCCCOc1ccccc1/C=N/NC(=O)CS[C@@H]1Nc2ccccc2O1 2325809625 QKFLASAXEPEEKC-WWOVWOHCSA-N 413.543 4.617 50 50 HJGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 17089110 ZAGAAFLZJWHMAY-ZROIWOOFSA-N 412.371 4.650 50 50 HJGA CCOC(=O)C1=C(c2ccc(Cl)cc2Cl)OC(N)=C(C#N)[C@@H]1c1ccccc1 652207 LXWZOWKWBFDNNJ-KRWDZBQOSA-N 415.276 4.775 50 50 HJGA N#C/C(=C\c1c(Br)cncc1Br)c1ccc([N+](=O)[O-])cc1 253425967 KIYDDJVVGCFKBQ-BJMVGYQFSA-N 409.037 4.579 50 50 HJGA COc1ccc(/C=N/NC(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 1230446 HFKIHZLYGFSJRR-ZVHZXABRSA-N 414.421 4.516 50 50 HJGA C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(Br)s1 1005728 SDTTVZAIPJVQKL-UDWIEESQSA-N 407.333 4.986 50 50 HJGA CCOCCSC1=C(C#N)[C@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1 2921939 UHVNRBWJZQPROM-SFHVURJKSA-N 421.360 4.504 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1 5020127 SRRUMABNAHIISO-JOCHJYFZSA-N 406.482 4.727 50 50 HJGA Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1F 826691991 JEBWQGYJRNWIHL-QFIPXVFZSA-N 418.399 4.711 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 19850190 UQQZFVFKECIFCB-WGOQTCKBSA-N 410.433 4.964 50 50 HJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Cl)ccc1O 102295259 PDTHCMAQKWDFPD-BUVRLJJBSA-N 409.958 4.533 50 50 HJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2)c([N+](=O)[O-])c1 2052923 AEPGZOQKNVTTJU-ZVHZXABRSA-N 411.502 4.838 50 50 HJGA CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O 2949780 CHPFDQHDRMHKEF-VULFUBBASA-N 424.541 4.799 50 50 HJGA CSc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5125845 BGOKYARHDHWTLC-AFUMVMLFSA-N 412.518 4.814 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1cccs1 8809702 ACXKATXEEQBQMH-IBGZPJMESA-N 420.494 4.597 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 1193395 DPKURUSOSXENKA-NLRVBDNBSA-N 414.534 4.717 50 50 HJGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2584779 NVVZQCNYNAAENF-MFKUBSTISA-N 422.868 4.722 50 50 HJGA N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1F 4751362 TXEGOFXPENKWPT-GOSISDBHSA-N 413.246 4.903 50 50 HJGA C[C@@H](I)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101093228 FVEYVAVAKANDBQ-KRWDZBQOSA-N 417.250 4.762 50 50 HJGA COc1ccc(/C=N/NC(=O)c2csc3ccccc23)cc1Cn1nc(C)cc1C 696004 GRCQPGUMIVGBKD-WYMPLXKRSA-N 418.522 4.535 50 50 HJGA COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 15012325 LVIKIINHAVZCKN-STZFKDTASA-N 413.477 4.735 50 50 HJGA CC(C)(C)c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)n(-c2ccccc2)n1 799235 RMSWFIUVIDFZKF-WGOQTCKBSA-N 412.493 4.793 50 50 HJGA CC(C)COc1cccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)c1 17089190 UNQSDPBFMMGPQU-LICLKQGHSA-N 412.511 4.894 50 50 HJGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1108873 YLUIMAMGZNPFGH-MRXNPFEDSA-N 413.264 4.610 50 50 HJGA C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 227256977 YRTCIQITXOOFGW-HBVWOOSPSA-N 404.901 4.920 50 50 HJGA Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nc2ccccc21 945942 PMOGHPOFQPHNRK-BUVRLJJBSA-N 416.506 4.608 50 50 HJGA CCSc1oc(C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100297322 HCCFUBTUKRGERW-UHFFFAOYSA-N 404.495 4.714 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 752397 QSMUAOAFNMKYCX-YWZLYKJASA-N 421.294 4.658 50 50 HJGA C=CCSC1=C(C#N)[C@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 2292366 XPMYDRHISXGCET-SFHVURJKSA-N 406.507 4.532 50 50 HJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccs2)c([N+](=O)[O-])c1 3186678 FJRGYBUDLARPJW-WSDLNYQXSA-N 417.531 4.899 50 50 HJGA CCCCc1ccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)cc1 6390565 XWCVHPGNLXGNIH-UHFFFAOYSA-N 401.601 4.589 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccncc2)cc1 2531087 NVJYFTCMBPTRCR-JVWAILMASA-N 409.445 4.526 50 50 HJGA Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 4989790 YYURSXZHGRKOEN-UUYOSTAYSA-N 413.271 4.547 50 50 HJGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1 16973864 PYULLWQNXCFUSC-WGOQTCKBSA-N 410.477 4.728 50 50 HJGA O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc(O)cc(O)c1 13321979 KJAIPPNFJAIIDA-BRJLIKDPSA-N 419.868 4.518 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 4210540 ILNIXHOKWPMUDZ-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1772491359 RPEUREGHTRNKGD-GXDHUFHOSA-N 404.775 4.916 50 50 HJGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 5317609 NPSYZAPJVZAQTK-YZSQISJMSA-N 409.493 4.574 50 50 HJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2542748 PLDWCNQOTITTHN-YZSQISJMSA-N 416.477 4.767 50 50 HJGA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 4956032 MDBFAGHAMMEXRZ-VUEBRRCKSA-N 413.477 4.668 50 50 HJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1cccs1)c1ccccc1 4258704 FQJVDJXBQFAVDH-BUVRLJJBSA-N 400.459 4.884 50 50 HJGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccccc1 5020392 VUZDTTWJBBUHOQ-NRFANRHFSA-N 405.479 4.813 50 50 HJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2529661 BSDLLQMHMIDONB-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA Cc1cc(OC(C)(C)C(=O)N/N=C/c2ccc(Br)s2)ccc1Cl 6825946 QMQKKGXEPICADZ-DJKKODMXSA-N 415.740 4.780 50 50 HJGA IC[C@@H]1CN=C(N(Cc2ccccc2)Cc2ccccc2)S1 827776 JIKHOSWQLCKXLL-QGZVFWFLSA-N 422.335 4.595 50 50 HJGA CC(C)c1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c(O)c(C(C)C)c1 2110394 APWIKXDMDMEBBK-NUGSKGIGSA-N 402.878 4.785 50 50 HJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 2543257 AJDHGUKYWHIZQB-MFKUBSTISA-N 422.868 4.722 50 50 HJGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 5318954 QMLRRZXQQCZLDN-WGOQTCKBSA-N 410.477 4.728 50 50 HJGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)c1 12445720 FAILEQDXGCKTOP-HXUWFJFHSA-N 420.494 4.578 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 2895726 HEZDVSNOBMOKKE-OBSKASRASA-N 411.549 4.989 50 50 HJGA CC(=O)C1=C(C)NC(SCc2ccccc2F)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 16382237 KKSBBFNHVNZDMC-OAQYLSRUSA-N 423.469 4.952 50 50 HJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 4209906 UNFDUMOJZKEBAF-BRJLIKDPSA-N 419.868 4.618 50 50 HJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1nc(O)c2ccccc2n1 4997464 FTGJGWKFSCFTPB-DTQAZKPQSA-N 405.417 4.845 50 50 HJGA CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)Br)c1ccccc1CC2 22340952 MTRKYBQMSQPORY-CYBMUJFWSA-N 417.303 4.802 50 50 HJGA CC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97990133 JNDGXRKGNNSLGL-UHFFFAOYSA-O 415.280 4.721 50 50 HJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 100078151 WMXGHVCQUVNJPO-UQBPGWFLSA-N 413.521 4.646 50 50 HJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1cccnc1 1212645 RCMKPLNXNBYBFQ-OPEKNORGSA-N 418.255 4.870 50 50 HJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccncc2I)C1 169794102 OQDLUWCIEIGPID-CYBMUJFWSA-N 418.395 4.534 50 50 HJGA in-vitro N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 1022604 DEMCZGYBPVKIEY-HXUWFJFHSA-N 420.856 4.553 50 50 HJGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1139514 XVDAOWTUIYTTAE-QFIPXVFZSA-N 404.853 4.843 50 50 HJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 2553699 RIXOJUHTLKQBOQ-MFKUBSTISA-N 422.868 4.722 50 50 HJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccc(Cl)cc1 5717011 WUOSSDUQAYWSKP-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3sccc32)NC(=O)CCl)cc1 1875386288 MDQUUYHMDDDHJR-MOPGFXCFSA-N 418.990 4.504 50 50 HJGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5354366 CWZHGIXJYWAJPU-YZSQISJMSA-N 410.477 4.906 50 50 HJGA Cc1cccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1 19800624 DOWBQLYGIGDKEI-JVWAILMASA-N 424.504 4.685 50 50 HJGA CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 170616882 JWNBZXKDDBCTCV-UHFFFAOYSA-N 411.666 4.921 50 50 HJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 4360631 SRTIEPAWBQCPLF-ZMOGYAJESA-N 423.856 4.900 50 50 HJGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 4531197 PBZADHBKKPDRGH-OGLMXYFKSA-N 423.472 4.981 50 50 HJGA Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 1247226 WNUMZGNRUVDOIE-MFKUBSTISA-N 414.534 4.635 50 50 HJGA O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2cc3ccccc3cc21 169615830 XRZQIPZRFLYILV-JZTSUELASA-N 418.448 4.687 50 50 HJGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(Oc2ccccc2)c1 1211006 NHFICUUZFWBLSC-OEAKJJBVSA-N 402.479 4.598 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1 1880040 RVULRFTVEHUYDI-OEAKJJBVSA-N 409.283 4.792 50 50 HJGA CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 2867180 QXMZLAYZDKAICX-GOSISDBHSA-N 402.494 4.707 50 50 HJGA O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1 4808847 QOMDFAVPOXRYRH-FOKLQQMPSA-N 403.316 4.638 50 50 HJGA O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccccc1 1512559 GGYXBCQYLBBRKC-UHFFFAOYSA-N 419.282 4.816 50 50 HJGA O=C(Nc1ccccc1F)[C@H](Br)[C@H](Br)c1ccccc1 1741287 ABPJSFXZRMTBFI-ZIAGYGMSSA-N 401.073 4.664 50 50 HJGA C/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc(Br)s1 222027068 YXXORJWANNROLH-RGVLZGJSSA-N 420.357 4.717 50 50 HJGA COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1 4170188 AFJHTZWKKOEPSV-CPNJWEJPSA-N 409.445 4.987 50 50 HJGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc3ccccc3c2)n[nH]1 5297047 PZMGILRVJYTFFI-YDZHTSKRSA-N 419.282 4.756 50 50 HJGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 1444721 SVNBUZVNJOKLFT-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 4751313 VKBASNDJTRCQEZ-SFHVURJKSA-N 402.372 4.850 50 50 HJGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2531394 RZHNAJLGVLEGAJ-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA CC(C)Cc1cc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)c2ccccc2n1 17091098 VBCVTCZUBXIOEG-HSOLMKNUSA-N 417.509 4.756 50 50 HJGA Cc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)c(C)s1 16293231 HDHVFYONAZBLBI-HNNXBMFYSA-N 416.428 4.992 50 50 HJGA CCc1ccccc1NC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 4795055 BYBZPVWUZGXWOR-UHFFFAOYSA-N 400.788 4.779 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 625548 RFXVJPFDROSPEG-GOSISDBHSA-N 411.255 4.524 50 50 HJGA N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Br)c1 5074091 QUJQLUTXEQLFFW-KAMYIIQDSA-N 400.276 4.578 50 50 HJGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@H](Br)C(C)(C)[C@@H]2Br 1093190 RTIFWUFFVFEQBA-CABCVRRESA-N 412.125 4.603 50 50 HJGA CCCCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 238900771 JUWNTTOJWCVYSI-SFHVURJKSA-N 416.949 5.525 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 2895728 HEZDVSNOBMOKKE-JJBJMVQMSA-N 411.549 4.989 50 50 HJGA CC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(Br)s1 8453994 BWRZNNZYNIVYBI-GZTJUZNOSA-N 416.138 4.817 50 50 HJGA N#Cc1ccc(NNC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C(F)(F)F)c1 811493567 JJHOXGUPIKCOLI-UHFFFAOYSA-N 409.236 4.631 50 50 HJGA COc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccc(Br)cc2)cc1 2990522 BQNAZEKZSHEBKJ-BSYVCWPDSA-N 409.283 4.640 50 50 HJGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1 4360543 ZLKJQLQCWLFCCS-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 17093301 VCCXZFSYESRQHO-NVNXTCNLSA-N 422.872 4.601 50 50 HJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 32649960 SOXSEKKHSFOSHR-HAWKZNDISA-N 408.885 4.837 50 50 HJGA Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 1475123 OLUOXXWBXDSILN-YDZHTSKRSA-N 420.563 4.697 50 50 HJGA O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1cccc([N+](=O)[O-])c1 1693752 LOYYEMPWEAHZAH-ZIAGYGMSSA-N 413.065 4.677 50 50 HJGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5296766 GZAIPKLFQCTDGL-NJBUXCONSA-N 422.488 4.766 50 50 HJGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccc3ccccc3c2)n[nH]1 5317586 HWXDNGKFONGMOS-FSJBWODESA-N 419.828 4.555 50 50 HJGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 6788280 QNPLAYWVNGIKLT-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 220982439 SCNOSHQUJQXXJH-SFQUDFHCSA-N 400.394 4.636 50 50 HJGA CC1(C)OB(c2cnn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c2)OC1(C)C 575628821 ATWMPDRWZDGUHN-IYARVYRRSA-N 406.452 4.688 50 50 HJGA O=C(NN=C1CCC(c2ccccc2)CC1)c1ccccc1I 1203144 AZQNYRNCIKLZSK-UHFFFAOYSA-N 418.278 4.735 50 50 HJGA COc1ccc(/C=C(/C(=O)c2ccccc2)N2C=CC=CC2=C(C#N)C#N)cc1OC 5022566 BNLZNEGWSWGMKS-HMAPJEAMSA-N 409.445 4.614 50 50 HJGA CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\CCCC(=O)O 38192483 AIOFTOLPMOTZKD-OPVFONCOSA-N 400.987 4.926 50 50 HJGA in-man CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1O 102288150 VNRQOQIMGAZQTL-XIEYBQDHSA-N 403.567 4.660 50 50 HJGA C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 245240259 OITUOTRRXAYPNP-SZNDQCEHSA-N 405.542 4.859 50 50 HJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(O)c3)c3cc(C)ccc3n2)cc1 13321399 VCVXNYQMZLDFAG-VULFUBBASA-N 411.461 4.694 50 50 HJGA COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCCc1ccccc1 948072 RMMBVHFTTICEQE-CJLVFECKSA-N 419.502 4.655 50 50 HJGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2853094 YZYDQNAGDCIDKN-UHFFFAOYSA-N 410.301 4.523 50 50 HJGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 13284567 GAORTRMTELRWQE-NRFANRHFSA-N 410.539 4.535 50 50 HJGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2C)c1 17088932 WMYBEADOYIHRMW-RNTXYAROSA-N 411.505 4.891 50 50 HJGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 2882248 VUCIPPDCPBIYEB-UHFFFAOYSA-N 414.292 4.978 50 50 HJGA CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 4646374 QEVJQXKAZDNXDO-WATGUQMVSA-N 410.386 4.933 50 50 HJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 2702235 JUVATPPZEIQMEI-WGOQTCKBSA-N 411.461 4.683 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1COc2ccccc2O1 1226701 PKQDPALVYGUQAV-LGWXCPLXSA-N 417.248 4.544 50 50 HJGA O=C(CSCc1ccccc1Br)N/N=C/c1cccc2ccccc12 4955966 MFCUFNPKHJVHSZ-WSDLNYQXSA-N 413.340 4.986 50 50 HJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 9015300 YSNNKSBFCRCBTA-CVKSISIWSA-N 412.493 4.898 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1 8838203 PZAGUQLPWDYYLA-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CBr)CC[C@@]43C)[C@H]1CCC2=O 254635276 ZACWFFSSQLMXTB-LKTQXZJLSA-N 409.364 4.825 50 50 HJGA O=C(N/N=C/c1cccc2cccnc12)c1ccn(Cc2ccc(Cl)cc2Cl)n1 1210780 NEOFRJXFHYSJLE-BRJLIKDPSA-N 424.291 4.550 50 50 HJGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1cccs1 5020400 MFZOWUKXEBCYMV-IBGZPJMESA-N 411.508 4.875 50 50 HJGA O=C(COc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 2390449 FBCVMVZFCYCKRO-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 17089536 ZFTZAOARFJRTMU-RIYZIHGNSA-N 413.455 4.502 50 50 HJGA CCCc1cc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)c2ccccc2n1 1005571 FGTCWFQLLPPORV-MMDHUZEPSA-N 403.482 4.510 50 50 HJGA ClCOCNc1c(Br)cc(Br)cc1Br 19911890 BLRBFPOMIHMDLG-UHFFFAOYSA-N 408.315 4.556 50 50 HJGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5297209 RHGNJHNPNRPUBX-JVWAILMASA-N 424.504 4.881 50 50 HJGA Cc1onc(-c2ccccc2Cl)c1C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 12649267 BOQVLSFDIVNWEK-OPEKNORGSA-N 423.835 4.597 50 50 HJGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2C)c1 17088931 WMYBEADOYIHRMW-WEQIMDSJSA-N 411.505 4.891 50 50 HJGA COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1 2970577 SASKHACDDQLYRZ-JLHYYAGUSA-N 407.357 4.548 50 50 HJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1c(Cl)cccc1Cl 102294735 ABIZWWJYRXHRRA-YDZHTSKRSA-N 400.350 4.700 50 50 HJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OCc2ccccc2)c1 2388466 HIHGMDDSWBVFJO-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA O=C(N/N=C/[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 4474075 GXIXHYZWZPAUCO-BTKDNQOKSA-N 412.114 4.752 50 50 HJGA COc1ccccc1/C=C/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 2374424 BUXIIFYALSQLHN-INVZISBRSA-N 401.510 4.734 50 50 HJGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)c1 8903534 ZITRVWUAJZZIIA-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA COC1=CC2=C(C=O)C[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@]2(C)CC1 257356836 KPFBUSLHFFWMAI-ZGRVGDFJSA-N 414.542 4.549 50 50 HJGA C[C@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ccc(Oc2cccnc2)cc1 807618060 CGUMTUVTCJYTFQ-KRWDZBQOSA-N 410.518 4.626 50 50 HJGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 4978850 FAHYQTOXHSLQFW-IBGZPJMESA-N 400.482 4.504 50 50 HJGA Clc1ccc([C@H]2OC[C@H](Br)[C@H](Br)CO2)c(Cl)c1 252427819 HGAWYKFXGMWDSI-DOFRTFSJSA-N 404.913 4.566 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 1775975294 GQSTUDLDGJOTPU-QFIPXVFZSA-N 418.399 4.711 50 50 HJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 632748 AXTFOLAIVXRENF-SFHVURJKSA-N 419.264 4.898 50 50 HJGA Cc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)cc1 5297580 WXTQGKZYSZYSNW-HOCVSBDUSA-N 409.287 4.537 50 50 HJGA Cc1ccc(NN2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)cc1 6233915 UKAPBCNTMRTBJG-NRFANRHFSA-N 404.901 4.776 50 50 HJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)s1 6710110 IXGZUJDPTDPQID-ZVHZXABRSA-N 401.491 4.995 50 50 HJGA COc1ccc2ccccc2c1C=NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 238901771 MOPVDAOSJPEYES-IBGZPJMESA-N 424.500 5.433 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])cc1 3055445 GZIJELKVUAOYBP-UFFVCSGVSA-N 404.209 4.926 50 50 HJGA COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OCc1cccc(C(F)(F)F)c1 17091385 RCBYGSVRWGNXMA-MFOYZWKCSA-N 418.415 4.725 50 50 HJGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(OCc2ccccc2)c1 705792 WXVFYUZGARDKIL-JOCHJYFZSA-N 422.440 4.590 50 50 HJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1 800643 LFHBFDGXRXAYAF-XMMPIXPASA-N 414.461 4.588 50 50 HJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4258582 ZNIPRPLXRAPGSU-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 2867181 QXMZLAYZDKAICX-SFHVURJKSA-N 402.494 4.707 50 50 HJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(C(F)(F)F)cc1 4751314 VKBASNDJTRCQEZ-GOSISDBHSA-N 402.372 4.850 50 50 HJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1F 1775977848 XSZSNMIZPIEGOD-OAQYLSRUSA-N 422.362 4.541 50 50 HJGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc3ccccc3c2)n[nH]1 33445099 BJLVCMDCMPWTLF-HBMJAWKPSA-N 411.421 4.567 50 50 HJGA O=S(=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 100305730 MNSLPYMSWMILHJ-UHFFFAOYSA-N 417.470 4.553 50 50 HJGA N#CC1=C(N)SC(N)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 639926 SYPPMNRZBCSRAD-OAHLLOKOSA-N 402.306 4.571 50 50 HJGA Cc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 2969524 PFKAZANOPDPRDN-HAVVHWLPSA-N 412.489 4.676 50 50 HJGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 6789615 NXJRRVLKWLXUOF-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1)c1ccccc1 5296747 KJCSNCFAMBELRP-ITYLOYPMSA-N 410.477 4.810 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 1775975293 GQSTUDLDGJOTPU-JOCHJYFZSA-N 418.399 4.711 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cccnc1 1057073 YGKKOKKOSGOTFV-HXUWFJFHSA-N 404.901 4.676 50 50 HJGA C/C(=C\c1ccco1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(Br)cc3)c21 6191764 XWXPWRQHQQOQSW-SOGBHIHOSA-N 423.270 4.706 50 50 HJGA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 2924704 GJXJEZIRTXHJCW-QMFOPCRCSA-N 411.549 4.826 50 50 HJGA C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195939682 PPBAWVJOPQUAMY-UHFFFAOYSA-N 408.792 4.599 50 50 HJGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(N2CCOCC2)cc1 15769375 AQQDWMBDMXLSJR-PGMHBOJBSA-N 423.520 4.871 50 50 HJGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 5044924 WCHCGNGSJYFXMZ-LJQANCHMSA-N 400.482 4.504 50 50 HJGA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@@]2(C)CCC[C@H]12)OCCO3 5276412 PFXPFFMEZISHQC-JTPITWTBSA-N 411.380 4.715 50 50 HJGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 6784198 XROQXYNCKWXPPY-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)COc2ccccc2)c1 8400235 RYDVZQBEOBHRQQ-WGOQTCKBSA-N 421.884 4.512 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1 2572299 RDPROODUODSCNO-AFUMVMLFSA-N 424.884 4.787 50 50 HJGA CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 2839149 CKZZZILZZPXAGP-WXUSHSQQSA-N 419.319 4.546 50 50 HJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1 32593029 BMNZOIDIAWNKLP-WGARJPEWSA-N 407.901 4.790 50 50 HJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 245226884 QMDZGLQDSFSNRZ-XECBEWOMSA-N 410.521 4.838 50 50 HJGA C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 227256960 YRTCIQITXOOFGW-VULSUMGCSA-N 404.901 4.920 50 50 HJGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12 4210505 DDBFTYFGZDXLMV-MZJWZYIUSA-N 415.880 4.527 50 50 HJGA N#C/C(=C\NNc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102311561 LFIHAZANDLZMCY-HPNDGRJYSA-N 420.476 4.962 50 50 HJGA O=C(CCSc1nc2ccccc2s1)N/N=C/c1c(O)ccc2ccccc12 719342 HIXCTQPWGOTOQQ-LPYMAVHISA-N 407.520 4.788 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 12420905 CGFCNXKYJIZCFU-UVTDQMKNSA-N 422.824 4.852 50 50 HJGA CCCNC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12 17090971 PZBDIROTJMFGGL-UHFFFAOYSA-N 417.296 4.563 50 50 HJGA CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 2839146 CKZZZILZZPXAGP-QQHUYRGFSA-N 419.319 4.546 50 50 HJGA COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1F 4136428 GJFRHHPGPQLVJE-HXUWFJFHSA-N 409.486 4.532 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1231701 OXCYLZAOKAPGPF-LJQANCHMSA-N 407.267 4.829 50 50 HJGA COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 6545359 SHOPDXWVZZFOLN-NRFANRHFSA-N 405.885 4.653 50 50 HJGA CC(=O)C1=C(C)NC(SCc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 12416724 KKSBBFNHVNZDMC-NRFANRHFSA-N 423.469 4.952 50 50 HJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12 654214 KWGXAMSJDXGHAL-JFLMPSFJSA-N 405.461 4.850 50 50 HJGA COC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 9014988 ZTJSTFXBXYWDKW-ROUUACIJSA-N 412.898 4.851 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9013896 MXYVNUNLCUQVAW-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccs1 4230295 NANXAGFJUKJGAY-BUVRLJJBSA-N 400.459 4.884 50 50 HJGA C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2csc(C)c2)cc1 13321945 XEAYMNVYWILWHS-ZEPGLHQBSA-N 417.534 4.953 50 50 HJGA O=C(N/N=C\c1ccccc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 32511899 DZPIIUXOBFNNRW-CFRMEGHHSA-N 420.310 4.733 50 50 HJGA O=C(Nc1ccc(C(=O)CBr)cc1)Nc1cccc(C(F)(F)F)c1 43191249 BEUUUAQITBRIEY-UHFFFAOYSA-N 401.182 4.927 50 50 HJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 20075910 ZALMHVRGQSZLEL-HXUWFJFHSA-N 420.856 4.553 50 50 HJGA COC(OC)c1c(CN2CC[C@H](CO[Si](C)(C)C(C)(C)C)C2)ccnc1Cl 169794099 RPQGNXICLGVCMN-HNNXBMFYSA-N 415.050 4.870 50 50 HJGA in-vitro CC[C@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6394355 UVYZRPAQRABNOL-HNNXBMFYSA-N 401.601 4.760 50 50 HJGA C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 226073701 OITUOTRRXAYPNP-SPLOXXLWSA-N 405.542 4.859 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 253500056 VJGLIYQCQCELBZ-PXJWFIIQSA-N 411.380 4.903 50 50 HJGA biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1cccc2ccccc12 793974 VLICUGZVUKTNHJ-MFKUBSTISA-N 402.885 4.680 50 50 HJGA Cc1[nH]nc2c1[C@@H](c1cc(CSc3ccc(Cl)cc3)cs1)C(C#N)=C(N)O2 1058976 JSBGWMREIYCKDV-QGZVFWFLSA-N 414.943 4.944 50 50 HJGA COc1ccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 1469524 QBEWYPHZLGJTHZ-MTDXEUNCSA-N 424.504 4.766 50 50 HJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 1122427 YOOFSCHNGGKHPT-JOCHJYFZSA-N 418.468 4.856 50 50 HJGA O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1cccc([N+](=O)[O-])c1 1693754 LOYYEMPWEAHZAH-UONOGXRCSA-N 413.065 4.677 50 50 HJGA CCCCCCCCNC(=O)/C(C#N)=C\c1cn(CCCN(C)C)c2ccccc12 100167894 MYIMRONQBLZJFI-UZYVYHOESA-N 408.590 4.977 50 50 HJGA COc1cc(Br)cnc1CN1CC[C@@H](CO[Si](C)(C)C(C)(C)C)C1 169794112 YGGQFKNSXKOLDC-CQSZACIVSA-N 415.448 4.696 50 50 HJGA in-vitro C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1 5297161 WVXLSLZGWPEDGA-SRZZPIQSSA-N 417.694 4.647 50 50 HJGA COc1cccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 12342910 WUYKYODLOUKMLW-YSMPRRRNSA-N 421.884 4.755 50 50 HJGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)CCCCCCCCCCC)c1O 102294842 CDQADQKJAANWRQ-NLRVBDNBSA-N 415.578 4.608 50 50 HJGA CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)[C@@H](C)CS(=O)(=O)CC 225677926 IWRJQAKOOWZITC-SFHVURJKSA-N 413.700 4.854 50 50 HJGA C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4372895 JBEJVUKYURANIE-FIKCODCVSA-N 400.478 4.836 50 50 HJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)c1 2552938 OYJZNAGKOUSUPG-JVWAILMASA-N 424.456 4.837 50 50 HJGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1139515 XVDAOWTUIYTTAE-JOCHJYFZSA-N 404.853 4.843 50 50 HJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 705432 AMDOUTFTXXPRRK-HSZRJFAPSA-N 412.537 4.693 50 50 HJGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(-c4ccccc4)n[nH]3)ccc21 5126147 WRKXCBYRZBRVCD-WGOQTCKBSA-N 407.477 4.968 50 50 HJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1O)c1ccccc1 2519994 KZRGPKZMDKOJNL-WGOQTCKBSA-N 410.429 4.529 50 50 HJGA Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1 1775977026 VLWDPTSLGHENHV-JOCHJYFZSA-N 418.399 4.711 50 50 HJGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccn(Cc2ccc(Cl)cc2)n1 4210149 WDVHYMMNJKLKIC-WYMPLXKRSA-N 424.291 4.550 50 50 HJGA CN(C)N1C(=O)[C@@](CCCCCBr)(c2ccccc2)c2ccccc21 71767302 NHJOJFYHVKXEJW-NRFANRHFSA-N 401.348 4.751 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1Cl 644104 HDJKLAYXVXTPOS-NRFANRHFSA-N 406.869 4.734 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@@H]1C[C@@H]1c1ccccc1 4646355 SRPXAFRGFMAJCD-ICXVXVOZSA-N 409.283 4.963 50 50 HJGA Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12 2040826 KULDXINYXFTXMO-UHFFFAOYSA-N 415.593 4.753 50 50 HJGA in-man C=CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 4287341 MWAANQCGFYMPSU-YZSQISJMSA-N 400.478 4.903 50 50 HJGA CCOC(=O)C1=C(C)NC(SCC(=O)c2cccs2)=C(C#N)[C@@H]1c1ccccc1 20617887 JINSNTKBRMHQMZ-FQEVSTJZSA-N 424.547 4.623 50 50 HJGA CCOC(=O)C1=C(C)NC(SCC(=O)c2cccs2)=C(C#N)[C@H]1c1ccccc1 20617888 JINSNTKBRMHQMZ-HXUWFJFHSA-N 424.547 4.623 50 50 HJGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 19800614 LTWVKWZCOYKJGY-DNTJNYDQSA-N 424.265 4.889 50 50 HJGA Cc1nc2ccc(Br)cn2c1C(=O)NN=C1CCC(C(C)(C)C)CC1 853097 ZURFSSCEGCXQTJ-UHFFFAOYSA-N 405.340 4.727 50 50 HJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)s1 1162475 NEVNYNCIMKWCIB-FQEVSTJZSA-N 420.494 4.523 50 50 HJGA Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 4427731 DXFTZLCHGXKVDZ-SFHVURJKSA-N 408.914 4.882 50 50 HJGA COc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(O)c(Br)c3)nc2c1 4739907 JPZCFSVEXLDREE-WMZJFQQLSA-N 404.651 4.757 50 50 HJGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210681 ZMCQHKWHHFIIGU-PVLQNKMRSA-N 403.869 4.959 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1cccnc1 19759492 HHCKQYFFORVXAJ-HSZRJFAPSA-N 417.534 4.600 50 50 HJGA CCCc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 658716 HEFDXLYESPNCTQ-FQEVSTJZSA-N 420.900 4.813 50 50 HJGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)c(C)s1 2501789 BAGLNFOAGSEKTN-LJQANCHMSA-N 411.477 4.948 50 50 HJGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 6789624 ZQUYCCUBTYJHJM-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA N#C/C(=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)NC1CC1 17083123 VNKQXARLEGDOHA-MDWZMJQESA-N 405.256 4.897 50 50 HJGA C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCOC1=O 169833482 NJEBKJFWYHHRNN-OFNKIYASSA-N 410.630 4.542 50 50 HJGA O=C(O)CCSSCCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl 1875388431 ATUPJJDMBLKSIV-UHFFFAOYSA-N 419.355 4.574 50 50 HJGA CCCC1=C(C(=O)OCC)[C@H](c2cccc(Oc3ccccc3)c2)C(C#N)=C(N)O1 1228307 TXWCNHNLGQCPIF-OAQYLSRUSA-N 404.466 4.904 50 50 HJGA CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCCN(C)C)c2ccccc12 49872225 MYIMRONQBLZJFI-DYTRJAOYSA-N 408.590 4.977 50 50 HJGA in-vitro CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(F)cc1 16676289 PZNUHZRVZBHLKP-QFIPXVFZSA-N 424.472 4.866 50 50 HJGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1 43761102 KYKYKSVKTYROOC-ZVHZXABRSA-N 414.889 4.598 50 50 HJGA COC(OC)c1c(CN2CC[C@@H](CO[Si](C)(C)C(C)(C)C)C2)ccnc1Cl 169794098 RPQGNXICLGVCMN-OAHLLOKOSA-N 415.050 4.870 50 50 HJGA in-vitro COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)o1 1188297 AVGXKYLJWGGMCR-JLHYYAGUSA-N 407.357 4.548 50 50 HJGA Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)cc1 2542334 UKAPBCNTMRTBJG-OAQYLSRUSA-N 404.901 4.776 50 50 HJGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ncccc1[N+](=O)[O-] 4454028 QBOTWFVWVPZZJH-PTNGSMBKSA-N 413.393 4.731 50 50 HJGA aggregator CC(/C=C/c1ccco1)=N/NC(=O)COc1ccc(Br)c2ccccc12 4955623 HTVOGXAGQRZHRD-YQMBCCRCSA-N 413.271 4.780 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(O)cc1O 13321537 UADWCYHCISWUOY-JVWAILMASA-N 411.461 4.775 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F 659600 CTPSPPRQWWMDJS-XOBRGWDASA-N 410.395 4.914 50 50 HJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccnc2)C2=C1CC(C)(C)CC2=O 713630 GCJGYDXOCKWUFH-NRFANRHFSA-N 418.928 4.984 50 50 HJGA N#C/C(=C/c1ccc(OCc2ccncc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 206951960 UUYXTBGJAQAAPO-BOPFTXTBSA-N 407.832 4.999 50 50 HJGA CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 1152459 YSYHHDIBHHSZOH-GOSISDBHSA-N 408.552 4.560 50 50 HJGA CCCc1cc(C(=O)N/N=C/c2ccc(OCC)cc2OCC)c2ccccc2n1 1003505 BLAVSKJSSAEVAD-PCLIKHOPSA-N 405.498 4.749 50 50 HJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 245226806 LZPIUNLWNBPIOO-NGOZZTLQSA-N 400.862 4.575 50 50 HJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 1189962 NHNHWOOMEYVKRC-LICLKQGHSA-N 403.413 4.508 50 50 HJGA C=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1 169836646 ORHPYGSEOTYNEQ-DHIUTWEWSA-N 410.630 4.659 50 50 HJGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2531245 BUYPSMRODSNZRK-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Br 2924661 HTKVZUPDYPKCRX-OEAKJJBVSA-N 409.283 4.792 50 50 HJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(F)cc1F 17091381 MLWGNGOIPNUXCH-UHFFFAOYSA-N 418.403 4.647 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)[nH]n1 8972633 RNQVQGANBNSJCQ-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2)cc1 4282558 ANPKTQXSBFIPJE-HZHRSRAPSA-N 408.479 4.520 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1cccs1 9013239 FXNWBRGVOOHRCF-LFVJCYFKSA-N 416.506 4.871 50 50 HJGA CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744174 FANKZBUVUNWLTK-RTBURBONSA-N 423.834 4.895 50 50 HJGA COCO[C@H]1C[C@H]2/C(=C/C(=O)OC)CC[C@H]2[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 169833630 DOWLOUDIBHKIEQ-HWLZOUEUSA-N 424.654 4.921 50 50 HJGA CCOc1cc(/C=C(\C#N)C(=O)OC)c(Br)cc1OCc1ccccc1 220956449 YCNOTLUUSXGBKM-CXUHLZMHSA-N 416.271 4.507 50 50 HJGA N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 221899023 HGVFEZHWQWRQLR-FOWTUZBSSA-N 423.900 4.654 50 50 HJGA COc1ccc(Cl)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 3139252 BISNYBNGIICEOG-QZLJHNFXSA-N 404.897 4.805 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2OCc2ccccc2Cl)[nH]n1 9088858 XRVUBXWICAEGFE-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA O=C(N[C@@H](Cc1ccccc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21 2559978 LRAXUKFFZHLNMX-QFIPXVFZSA-N 405.881 4.902 50 50 HJGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 5354041 WPWKNDRVUBGLOI-YZSQISJMSA-N 410.477 4.906 50 50 HJGA C[C@@H]1C[C@H](C(C)(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O 169835329 MDMIVXIREYYSGM-DENIHFKCSA-N 410.630 4.541 50 50 HJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775977029 VMKQCWWPTBNWDV-NRFANRHFSA-N 422.362 4.541 50 50 HJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccnc2)c1 731189 VOVWLDXKJKRSDT-JVWAILMASA-N 409.445 4.526 50 50 HJGA CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(I)cn2)CC1 575631040 KWCGEMFGHPBCDL-HDJSIYSDSA-N 406.384 4.993 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@H]1C[C@@H]1c1ccccc1 1000011 SRPXAFRGFMAJCD-BAOAJVHZSA-N 409.283 4.963 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccccc1 1022609 NTGDSYCMGNZZFS-NRFANRHFSA-N 414.465 4.536 50 50 HJGA O=C(COc1ccccc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2520110 COOKGOYKCVIVBC-WPWMEQJKSA-N 424.456 4.588 50 50 HJGA C[C@H]1C[C@H](C(C)(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O 169835313 MDMIVXIREYYSGM-SIKLNZKXSA-N 410.630 4.541 50 50 HJGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@@H](Br)C(C)(C)[C@H]2Br 1093193 RTIFWUFFVFEQBA-LSDHHAIUSA-N 412.125 4.603 50 50 HJGA C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC 16362063 LOZNQDXNKPMPIG-GDNBJRDFSA-N 422.282 4.800 50 50 HJGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 4360626 JPGSENRSOGCJCP-YZSQISJMSA-N 400.478 4.903 50 50 HJGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 634326 ZPYTVPJABJYTOO-KRWDZBQOSA-N 400.265 4.714 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(SC(F)(F)F)cc2)c(C(F)(F)F)c1 799751905 VIMSZNQMFIXBOL-UHFFFAOYSA-N 405.323 4.946 50 50 HJGA NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cc12 1230618 MFYXMCOQDDTADX-UHFFFAOYSA-N 418.294 4.935 50 50 HJGA COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCC#N 16671674 ATXWGEUESBSSDM-RIYZIHGNSA-N 423.270 4.609 50 50 HJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)c1 2531420 PHHDDSJPHPQJKP-JVWAILMASA-N 424.456 4.837 50 50 HJGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4229949 AZYUJZXRXIVHCD-WPWMEQJKSA-N 424.456 4.588 50 50 HJGA CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N 1185218 GDDGEYSBCNNYLJ-WGOQTCKBSA-N 414.465 4.692 50 50 HJGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3cccc(Cl)c3)cc1)C(C#N)=C(N)O2 622968 MDCYIEFZHXRRNF-HXUWFJFHSA-N 420.900 4.813 50 50 HJGA CC(C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 17083079 INQCAXBGUOQDMM-XDHOZWIPSA-N 404.901 4.683 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2581505 HBPLWYZKOHTDFW-AFUMVMLFSA-N 408.885 5.000 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 16276125 NDYNZLJLQBAYNW-OAQYLSRUSA-N 424.859 4.873 50 50 HJGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 19880515 GOJBKAIHWGMYCA-JVWAILMASA-N 423.472 4.761 50 50 HJGA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@H]12)OCCO3 257349601 PFXPFFMEZISHQC-WIGXJSJFSA-N 411.380 4.715 50 50 HJGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 16525625 MDHSQWTVADVXNE-OVCLIPMQSA-N 401.403 4.889 50 50 HJGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 3101588 VNRCFHZYBXTFAA-OVVQPSECSA-N 408.457 4.752 50 50 HJGA CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 4372556 USRYICPGQYZFHX-OJWZXOLNSA-N 418.493 4.582 50 50 HJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCCCC)cc1 102293751 QTRRUUIHWOTNCC-XIEYBQDHSA-N 403.567 4.573 50 50 HJGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 634328 ZPYTVPJABJYTOO-QGZVFWFLSA-N 400.265 4.714 50 50 HJGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4355328 DRYBIPCPEPYNBA-STPJHCLOSA-N 408.885 4.837 50 50 HJGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc4ccccc4c3)c(Cl)nc2c1 5795822 ZJOCGHWWRYUIEH-DHRITJCHSA-N 403.869 4.879 50 50 HJGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC#N)N1 4257335 SOYXLZIWRJMWKE-FQEVSTJZSA-N 420.925 4.931 50 50 HJGA CC[C@@H](Nc1ccc(Cl)cc1)C(=O)NN=C(C)c1ccc(Br)cc1 245246478 MOQAKKMXXUEHLT-QGZVFWFLSA-N 408.727 4.833 50 50 HJGA CC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 4230194 BJMIFCRHFNRNMG-WGOQTCKBSA-N 410.477 4.588 50 50 HJGA CC(C)[C@H]1CC[C@]2(C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3[C@H](CC=CCC34OCCO4)[C@H]12 169832701 GFKQLWMLRKDESR-YENHRIDLSA-N 406.639 4.803 50 50 HJGA C/C(=C\c1ccco1)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(Br)cc3)c21 6191767 XWXPWRQHQQOQSW-PXUDHTSWSA-N 423.270 4.706 50 50 HJGA Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC(C)C)c1 1173818 ZVAXCELLNIBWEY-ZDLGFXPLSA-N 413.315 4.768 50 50 HJGA O=C(Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1ccccc1 2832013 HRZLMQXHXGCRAH-WGOQTCKBSA-N 410.429 4.529 50 50 HJGA CCOc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(Br)cc1OC(C)C 6944166 XMSOVLRKPRTZNJ-OQLLNIDSSA-N 421.335 4.601 50 50 HJGA CC1=C2CC[C@H]3[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@@H](C1=O)[C@@H]23 169833799 YQOYDDMSHPULOW-NDBXHCKUSA-N 416.637 4.877 50 50 HJGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(Oc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 1227967 WRDQMJSELDWSJT-LJQANCHMSA-N 406.825 4.612 50 50 HJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2673504 BYNJDBZGXQFYDJ-WPWMEQJKSA-N 424.456 4.588 50 50 HJGA CC[C@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)cc1 6394347 CUFNRYZZVZKBSY-INIZCTEOSA-N 401.601 4.760 50 50 HJGA C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCOC1=O 169833483 NJEBKJFWYHHRNN-NFBKMPQASA-N 410.630 4.542 50 50 HJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 245226883 QMDZGLQDSFSNRZ-CIUJFICYSA-N 410.521 4.838 50 50 HJGA Cc1ccc(C(=O)N/N=C(/CC(=O)C23CC4CC(CC(C4)C2)C3)C(F)(F)F)cc1 6814318 IQXHPFNYLOBHMN-ITYLOYPMSA-N 406.448 4.819 50 50 HJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)c(OC)c1 2730222 XZHVNWJJJZBZKC-ZMOGYAJESA-N 417.490 4.744 50 50 HJGA O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1cc(Cl)ccc1O 2968536 SMMNPKOMFOLWIP-WYMPLXKRSA-N 415.276 4.759 50 50 HJGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Br 4990041 OCSUJBWSBCMDMH-WLGVBFMHSA-N 407.695 4.687 50 50 HJGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 15684709 OXFLQZYNFQWIKG-ATVHPVEESA-N 404.401 4.687 50 50 HJGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1 2899659 FXPPFEWDJVILEO-TTXZLZEXSA-N 411.299 4.910 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1 2898278 WUNITMGVPOOMJU-NLRVBDNBSA-N 401.510 4.876 50 50 HJGA c1ccc([C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1 100060458 OKUTYUNUKKPYJS-RUZDIDTESA-N 407.453 4.963 50 50 HJGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccs1 8863279 WTCCDELOEOLSCU-LDADJPATSA-N 420.610 4.524 50 50 HJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1 100078158 WMXGHVCQUVNJPO-KBMIEXCESA-N 413.521 4.646 50 50 HJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1190391 DSWJQMGIQWJVIU-GZTJUZNOSA-N 404.401 4.687 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(O)cc1 4259961 WVWWWGQUIKPKHG-WGOQTCKBSA-N 410.429 4.529 50 50 HJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297058 VCXSPJAATHKFOY-MZJWZYIUSA-N 405.461 4.574 50 50 HJGA CSc1sc(C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100732540 KQSCHSHIMHQFLP-UHFFFAOYSA-N 406.536 4.793 50 50 HJGA Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3nc(O)c4ccccc4n3)c2c1 758308751 AABZWZWANABNQH-UHFFFAOYSA-N 421.460 4.616 50 50 HJGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)c1O 5050094 WDFIUFHCZVGFBO-FOKLQQMPSA-N 415.280 4.582 50 50 HJGA CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2 1152458 YSYHHDIBHHSZOH-SFHVURJKSA-N 408.552 4.560 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 2553125 JGXWKRISVOXBCV-MFKUBSTISA-N 422.868 4.722 50 50 HJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 5753321 ISRCIBNQGLYAON-MFKUBSTISA-N 410.433 4.882 50 50 HJGA CC1(C)OB(c2cc(Cl)c(Cl)c(Cl)c2CBr)OC1(C)C 1772572543 HWXJQGHPTWRJAK-UHFFFAOYSA-N 400.336 4.841 50 50 HJGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1 4451486 KQRQCLDXKNZRMK-XNTDXEJSSA-N 413.393 4.731 50 50 HJGA aggregator O=C(NN=C1CCCC1)c1ccc(Oc2ccc(C(=O)NN=C3CCCC3)cc2)cc1 1230039 DPSAHLIOLAIXNQ-UHFFFAOYSA-N 418.497 4.799 50 50 HJGA COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1O 4425049 QVMPZFGLCGPIAL-OVCLIPMQSA-N 402.431 4.695 50 50 HJGA Cc1nnc(SCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)n1C1CCCCC1 229376698 ULGJCGVPOMONFZ-QJWKYJBVSA-N 403.596 4.502 50 50 HJGA O=C(N/N=C/c1ccc(N2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 263640027 UBDYUBTYPRKQMW-DHRITJCHSA-N 409.839 4.883 50 50 HJGA Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1sc3cc(Cl)ccc3c1Cl)C(=O)N2 17091337 KLKRNZZCLWPPLB-UHFFFAOYSA-N 418.305 4.911 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775976218 PJLITBAAOTYSKA-QFIPXVFZSA-N 418.399 4.711 50 50 HJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1 102290033 NXLZAMJNEVPZIT-LGUFXXKBSA-N 417.594 4.963 50 50 HJGA CC(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3sccc32)NC(=O)CCl)cc1 1875386290 MDQUUYHMDDDHJR-RBUKOAKNSA-N 418.990 4.504 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 680024 LGFNNGQPCQTQHA-FQEVSTJZSA-N 404.901 4.676 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 714094 OMMORDGMCANSNM-QFIPXVFZSA-N 417.484 4.775 50 50 HJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 4259054 PZABANKUNWTVIX-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)ccc1O 1143045 WHPCBRKNLAPQOY-QFIPXVFZSA-N 418.518 4.763 50 50 HJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1nc(O)c2ccccc2n1 33411331 NPYMQMKQASODOM-JXAWBTAJSA-N 416.444 4.647 50 50 HJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccccc2nc1Cl 102295200 URTNNCCJBUKPHY-MFKUBSTISA-N 416.953 4.595 50 50 HJGA CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CCn1c3ccccc3c3ccccc31)C2=O 242648547 QZGRWQTUKOILIZ-AVRWGWEMSA-N 401.510 4.682 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 22017800 GRMLSQFFYIDWBT-UBCTUXONSA-N 414.505 4.550 50 50 HJGA O=C(Nc1ccccc1F)[C@@H](Br)[C@H](Br)c1ccccc1 1741280 ABPJSFXZRMTBFI-KGLIPLIRSA-N 401.073 4.664 50 50 HJGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297071 IWXCIQWHKUFDFI-RPPGKUMJSA-N 418.859 4.885 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 4259893 OLTOOAMZFBOPMH-AFUMVMLFSA-N 402.381 4.555 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 8399810 SXHDRHLIRCMGGQ-CVKSISIWSA-N 421.884 4.755 50 50 HJGA C[C@@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ccc(Oc2cccnc2)cc1 807618061 CGUMTUVTCJYTFQ-QGZVFWFLSA-N 410.518 4.626 50 50 HJGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5354249 LVQLNGAGTKHVGU-GZIVZEMBSA-N 411.651 4.940 50 50 HJGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1 8838174 VIYRIPYUDABUNC-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)c1 1189864 YQMIWRLGFBQIOE-XDHOZWIPSA-N 417.440 4.566 50 50 HJGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC#N)N1 4257334 SOYXLZIWRJMWKE-HXUWFJFHSA-N 420.925 4.931 50 50 HJGA O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 252678316 DSTXOODTVCBVMS-UHFFFAOYSA-N 414.421 4.570 50 50 HJGA CN1/C(=C/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21 100259531 IVHXHUDUCWHQFC-USSUYSNBSA-N 405.542 4.776 50 50 HJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 632751 AXTFOLAIVXRENF-GOSISDBHSA-N 419.264 4.898 50 50 HJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OC 102284909 IJUDMXLZXXQPRX-LGUFXXKBSA-N 417.594 4.963 50 50 HJGA CCOCCSC1=C(C#N)[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1 13210527 UHVNRBWJZQPROM-GOSISDBHSA-N 421.360 4.504 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 659270 KDNNKGOGBWGZFU-QKKBWIMNSA-N 406.869 4.557 50 50 HJGA O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 2678242 FMLSTCYKTNGLFX-UFFVCSGVSA-N 404.209 4.926 50 50 HJGA COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 19761061 OUIARJWJYUHIBB-GAJHUEQPSA-N 400.478 4.589 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccsc1 1056592 JKVUNMHHWSKBKF-IBGZPJMESA-N 420.494 4.597 50 50 HJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)cc1 102288868 GQSSIDWVWRRHST-LGUFXXKBSA-N 417.594 4.963 50 50 HJGA O=C(O)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 1776111385 SARRWNMMZNCVLK-JVWAILMASA-N 424.456 4.881 50 50 HJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1F)c1ccccc1 2520043 LCVZYLJTRVPHEW-JVWAILMASA-N 412.420 4.962 50 50 HJGA CCc1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)cs1 8199677 NWNRFEWYYYLRAF-AFUMVMLFSA-N 414.534 4.986 50 50 HJGA C[Si](C)(C)CCOC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1 170162412 QTYUNPJLGFKKRV-UHFFFAOYSA-N 406.538 4.940 50 50 HJGA CCCc1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 658713 HEFDXLYESPNCTQ-HXUWFJFHSA-N 420.900 4.813 50 50 HJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1ccccc1 2855784 MMOAFCMEIMBZQV-XQNSMLJCSA-N 411.486 4.878 50 50 HJGA aggregator C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 4650859 SDVHMILTVXNQHZ-ATLCYMCBSA-N 415.468 4.722 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 1772491691 WCCVKAYHSCWCEN-IERINNQFSA-N 404.547 4.944 50 50 HJGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cccs1)=C\c1ccccc1 5019255 GPZFUMOZTUGWNH-UENBXCNDSA-N 415.518 4.616 50 50 HJGA N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccc(F)cc1 6975003 WFWHQCIDJARJPJ-XGICHPGQSA-N 410.626 4.769 50 50 HJGA N#CC1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 721669 VGWZOQNOVYKIDA-UHFFFAOYSA-N 401.535 4.732 50 50 HJGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC 4982588 YRXMBLCUDJQMGJ-SDNWHVSQSA-N 408.439 4.712 50 50 HJGA CCCCc1ccc(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)cc1 17088735 WPEJDRJHZCIZFD-ATJXCDBQSA-N 410.942 4.870 50 50 HJGA Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 16319568 RFCNHATUJGVGEL-ZHZULCJRSA-N 413.433 4.985 50 50 HJGA Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 18024766 QKZIVGVPKDGSEN-IPIVFHEZSA-N 402.454 4.954 50 50 HJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ncccc2I)C1 169794100 OALKZIZCBSLQJA-CYBMUJFWSA-N 418.395 4.534 50 50 HJGA in-vitro CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1cccs1 1199278 NHRSSKWFYUYXGK-OAQYLSRUSA-N 408.548 4.958 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1 4179470 IHCOPBWZEMDFDH-AFUMVMLFSA-N 408.885 5.000 50 50 HJGA Cc1ccc2cc(/C=N/NC(=O)c3ccccc3Br)c(Cl)nc2c1 5795861 GZXCFPVGGIJWPO-UFFVCSGVSA-N 402.679 4.723 50 50 HJGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530486 VZMLXJWHUICBPL-DHRITJCHSA-N 412.848 4.587 50 50 HJGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)O)o1 4739815 YMCNIDGRLKHCMB-GDNBJRDFSA-N 415.405 4.506 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccccc1 720232 DKTCGJFVAGSFQK-FQEVSTJZSA-N 405.448 4.906 50 50 HJGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 4978851 FAHYQTOXHSLQFW-LJQANCHMSA-N 400.482 4.504 50 50 HJGA CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 5020439 RCKAOSJJLVHLES-OAQYLSRUSA-N 405.479 4.813 50 50 HJGA COc1ccc(OC)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 19770404 ZSEBQROJISCGGJ-BXKMTCNYSA-N 400.478 4.589 50 50 HJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1 102316608 IWJZIRYQONWNDW-XIEYBQDHSA-N 403.567 4.660 50 50 HJGA COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2865174 FOIWGRMIVIBVBW-YZSQISJMSA-N 408.461 4.583 50 50 HJGA C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2F)c1 8453662 KJNIUZBRVGKEAH-JFLMPSFJSA-N 423.875 4.814 50 50 HJGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1ccc(NC(=O)C2CCCC2)cc1 17088332 FZRKYZPRSMAHLD-MFKUBSTISA-N 409.555 4.910 50 50 HJGA O=C(Cl)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 40451288 DHCJTRGNEQLHGJ-UHFFFAOYSA-N 404.573 4.557 50 50 HJGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)CCCCCCCCCCC)c1 102294584 LMCGKXFAXJZFQV-LGUFXXKBSA-N 415.578 4.739 50 50 HJGA CC(C)(C)OC(=O)c1cc(C(Br)Br)nc2ccccc12 101079444 KLABLVZXQMBVGN-UHFFFAOYSA-N 401.098 4.979 50 50 HJGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 15659500 VQVXLVKWOHLCBH-QINSGFPZSA-N 423.494 4.821 50 50 HJGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 17087873 YIQGATLSDKWOBJ-UKTHLTGXSA-N 408.401 4.878 50 50 HJGA N#C/C(=C\c1cccc(OC(=O)c2ccccc2Cl)c1)S(=O)(=O)c1ccccc1 2852370 GAGBENVNHZWXAE-XMHGGMMESA-N 423.877 4.898 50 50 HJGA COc1ccc(OCc2ccc(/C=N/NC(=O)c3csc4c3CCCC4)o2)cc1 673366 DARKYFHWLGQPOZ-FSJBWODESA-N 410.495 4.571 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 2529617 PEYHIHHALCRRDC-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 12364175 IAPDWTNFTSDZJR-MLPAPPSSSA-N 422.662 4.639 50 50 HJGA C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(O)ccc2ccccc12 2927238 LPBLBUOSAMTSEA-AEOXGOBCSA-N 407.520 4.786 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1 5059259 YOLWIHYZQDLWKI-SFQUDFHCSA-N 402.406 4.589 50 50 HJGA COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 718528 YRAPBQSMBNAPIH-CYBMUJFWSA-N 419.293 4.672 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccc(Cl)c1 2584762 JVZWJCBLDSOWOX-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)cc1 5354329 GLZTUUVUEMBULH-LPYMAVHISA-N 411.303 4.556 50 50 HJGA Cc1ccc(NC(=S)NNC(=O)CCn2c3ccccc3c3ccccc32)cc1 2915052 MWYJOXCWDDGWSE-UHFFFAOYSA-N 402.523 4.511 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1 9088875 KHDDMESNHJGZQA-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)n[nH]2)cc1 4527979 XLIZCUDJBFQKDW-MFKUBSTISA-N 415.497 4.809 50 50 HJGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccccc2)c1 13322053 ABGJMLHKYMFEEG-OGLMXYFKSA-N 423.472 4.952 50 50 HJGA CCOC(=O)NNC(=O)NC[C@@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 71785894 DJTPKIDPUIUWJL-HUVFLSCGSA-N 415.578 4.781 50 50 HJGA CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1 673040 UBOLJNNWGIWOCA-JVWAILMASA-N 410.477 4.848 50 50 HJGA C[C@@H](NC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccccc1 2731657 SRWUHYXWBJXDQP-ZBFHGGJFSA-N 415.628 4.769 50 50 HJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 2929355 SOXSEKKHSFOSHR-STPJHCLOSA-N 408.885 4.837 50 50 HJGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 4650857 SDVHMILTVXNQHZ-SMNBHXFMSA-N 415.468 4.722 50 50 HJGA CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 4728309 JLDOSIKUPJLQEA-IBGZPJMESA-N 411.552 4.844 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 5260981 PTHWCHSYARYNMQ-OAQYLSRUSA-N 414.465 4.536 50 50 HJGA N#CC1=C(SCc2ccc(Br)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 850031 BULJGMVMRBYPEX-OAHLLOKOSA-N 416.344 4.638 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1191558 LFKIUZOOOHEMRM-LDADJPATSA-N 416.437 4.557 50 50 HJGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4326604 XBCMZNUFKYQPND-YZSQISJMSA-N 400.478 4.523 50 50 HJGA COc1ccc(OC)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 19770407 ZSEBQROJISCGGJ-OSPHWJPCSA-N 400.478 4.589 50 50 HJGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@H](Br)C(C)(C)[C@H]2Br 1093192 RTIFWUFFVFEQBA-GJZGRUSLSA-N 412.125 4.603 50 50 HJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)cc1 1750089 DQVUOIVGNASUHI-LFIBNONCSA-N 408.542 4.640 50 50 HJGA Cc1cc(C)c(/C=N/NC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)c(C)c1 2089626 HXNMHSVHBRTQSE-LGJNPRDNSA-N 415.940 4.767 50 50 HJGA CCCCOc1cccc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c1 4999142 YWVKSDILCUJYLV-UHFFFAOYSA-N 411.449 4.516 50 50 HJGA CCOCC(=O)Nc1cc(Br)ccc1CO[Si](C)(C)C(C)(C)C 170606072 IXZVJCURTOQDSW-UHFFFAOYSA-N 402.405 4.946 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc(Br)c1 2566707 FGFSFISBQVVHKP-OEAKJJBVSA-N 409.283 4.792 50 50 HJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc2ccccc12 4210475 RROZALJAGDFDEI-BRJLIKDPSA-N 421.909 4.588 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccsc1 8809699 YPKLYJGGYCZUSI-IBGZPJMESA-N 420.494 4.597 50 50 HJGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(C)NC2=C1C(=O)CC(C)(C)C2 636984 ZWLKSENTTHVHOG-GOSISDBHSA-N 401.304 4.585 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 755736 OUJQFDCADNSDTI-FOIQADDNSA-N 410.395 4.914 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 2678240 NRVPOJSXBOGCDB-UFFVCSGVSA-N 404.209 4.926 50 50 HJGA COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C 12731428 YNJGIRCXBRHVAS-UHFFFAOYSA-N 419.481 4.617 50 50 HJGA C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(O)ccc2ccccc12 2927240 LPBLBUOSAMTSEA-UMYHVIPVSA-N 407.520 4.786 50 50 HJGA C[C@H](I)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101093225 FVEYVAVAKANDBQ-QGZVFWFLSA-N 417.250 4.762 50 50 HJGA COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)c1 2820718 HIXFZKBXXQADEW-QINSGFPZSA-N 423.494 4.821 50 50 HJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1 4366361 ACJUKWSEQDIBFU-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1 4677799 PRBQGHNIJLFGBL-FSJBWODESA-N 417.296 4.936 50 50 HJGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 713926 IFZVSWYBZDYSDV-QFIPXVFZSA-N 403.457 4.529 50 50 HJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4230029 ZWYAJUQGXFTNQC-YZSQISJMSA-N 414.461 4.543 50 50 HJGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 4650856 SDVHMILTVXNQHZ-NMQIXQAOSA-N 415.468 4.722 50 50 HJGA CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 257347829 VJGLIYQCQCELBZ-WOPXHXFJSA-N 411.380 4.903 50 50 HJGA O=C(Nc1ccccc1F)[C@@H](Br)[C@@H](Br)c1ccccc1 1741278 ABPJSFXZRMTBFI-KBPBESRZSA-N 401.073 4.664 50 50 HJGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 6789601 DQGNORVLOLSAFS-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2C)c1 17088930 WMYBEADOYIHRMW-PNXWSMSCSA-N 411.505 4.891 50 50 HJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 245226807 LZPIUNLWNBPIOO-XLTYDMAOSA-N 400.862 4.575 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc2ccccc12 2543274 OZQMTOJDKOBTBH-WPWMEQJKSA-N 423.472 4.508 50 50 HJGA CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 4135924 YIWAEZNJKNSQRG-WSDLNYQXSA-N 411.303 4.727 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 1188959 DWWDLYIIYJBHHP-RVDMUPIBSA-N 403.394 4.718 50 50 HJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nc2ccccc21 1477319 GBBAOYYEMGECDT-PCLIKHOPSA-N 402.523 4.842 50 50 HJGA COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 718529 YRAPBQSMBNAPIH-ZDUSSCGKSA-N 419.293 4.672 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 1199202 VYHDVCGCKLYLDI-HSZRJFAPSA-N 402.519 4.896 50 50 HJGA COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2584692 WMXHCPGRMWJTIW-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 4982126 IQMDDIQCHQRKQH-FMCGGJTJSA-N 412.287 4.580 50 50 HJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 2584801 PEMWFJJWMCOJBD-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1 4746468 SVWPDCQJVONQRM-SSDVNMTOSA-N 407.326 4.513 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CBr)CC[C@@]43C)[C@H]1CCC2=O 254635270 ZACWFFSSQLMXTB-GLDUVZCJSA-N 409.364 4.825 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@@H](C)[C@]2(OO)C(C)=O)C1 1772491692 WCCVKAYHSCWCEN-JLXYOXTFSA-N 404.547 4.944 50 50 HJGA N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(N)=O 1215730 HTJSDXKEHZAYAD-LICLKQGHSA-N 407.267 4.574 50 50 HJGA Cc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 19800630 FPYXKYQZBHNEQL-JVWAILMASA-N 424.504 4.685 50 50 HJGA Cc1cccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c1 211486875 ZRNODUDMQPPVGG-ZHZULCJRSA-N 405.461 4.788 50 50 HJGA COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)cc2)cc1 1172753 XBGCJIMZJQBKMO-HAHDFKILSA-N 412.489 4.806 50 50 HJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5034095 OCYNCHPZYBESHL-BHGWPJFGSA-N 417.340 4.948 50 50 HJGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 2553534 JLUOSJICNCRKEO-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 43190630 SENXDMOZEIUFTE-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 4372720 MVMWCDXHZJPJTE-YRDQYSPCSA-N 400.478 4.836 50 50 HJGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 13284568 GAORTRMTELRWQE-OAQYLSRUSA-N 410.539 4.535 50 50 HJGA CC(=NNC(=O)[C@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 245254052 ZISJBMAALUZZHK-ZDUSSCGKSA-N 408.727 4.752 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1 2530354 QNXWDIAWVBOSNL-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1 713561 DGAXPFMQISKSDV-QFIPXVFZSA-N 419.912 4.962 50 50 HJGA Cc1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2513482 POWLXIRTKYAAST-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1Cl 2855043 DOKDLDBDVIASCM-UHFFFAOYSA-N 415.276 4.500 50 50 HJGA N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCCc1ccccc1 6885125 WBYTYZCGLINUQD-CJLVFECKSA-N 400.453 4.671 50 50 HJGA CCCC(=NNC(=O)C(O)(c1ccccc1C)c1ccccc1C)c1ccccc1 252678334 DYRPUMOBEPNHNI-UHFFFAOYSA-N 400.522 4.860 50 50 HJGA COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OC 12393008 MXVMFADWQXEZNZ-GHXNOFRVSA-N 409.198 4.512 50 50 HJGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 17081803 XFSIYLCKYFNCJE-KEBDBYFISA-N 400.103 4.839 50 50 HJGA COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1OC 43190525 ZXMKUIOUILJVPE-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 4372730 NWVZRHITORAQKB-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2970481 WMGFBAHCSLPFSS-GZIVZEMBSA-N 416.692 4.627 50 50 HJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Cl)cc1Cl 4171025 KGLQOSATUXYUEW-OAHLLOKOSA-N 401.228 4.741 50 50 HJGA O=C(CNc1ccccc1)N/N=C/c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 2571021 BSZPAGNGLLJQPM-OEAKJJBVSA-N 412.515 4.582 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)[nH]n2)cc1 5297749 WNHPESGTOFGVPO-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1F 6762560 UOIUIZSIMCDMAC-XMHGGMMESA-N 402.425 4.959 50 50 HJGA C=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855323 JSFKLSOJCTXPAB-UHFFFAOYSA-O 408.461 4.882 50 50 HJGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 16971766 XPAWCPRZFCVRMY-CVKSISIWSA-N 414.440 4.559 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1 4354797 XWWDDMRJNKUTHA-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1 100731773 DUODTJNAVMCTPO-NLRVBDNBSA-N 419.529 4.975 50 50 HJGA N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1cccc(F)c1 6974488 TVLVHWSLCGUIKX-QCDXTXTGSA-N 410.626 4.769 50 50 HJGA CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(C)cc(Br)cc1C 230141425 VMGGXRHMLSDPNJ-WQOGHSSVSA-N 401.304 4.650 50 50 HJGA Cc1cc(C)nc(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)n1 1100989 PRDCQQDKWOLBDM-ZMOGYAJESA-N 400.507 4.642 50 50 HJGA O=C(Nc1ccc(F)cc1)[C@@H](Br)[C@@H](Br)c1ccccc1 1741265 DOXHHEOFUVDLPL-KBPBESRZSA-N 401.073 4.664 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1 4282929 IDRPJFYSVOPXQK-YZSQISJMSA-N 416.477 4.767 50 50 HJGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc(C(C)(C)C)c1O 5297333 XDDPRNUHTVYHFB-ZMOGYAJESA-N 408.502 4.734 50 50 HJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccco1)c1nc(O)c2ccccc2n1 4170205 FTGJGWKFSCFTPB-SSZFMOIBSA-N 405.417 4.845 50 50 HJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2)cc1 2530388 MSCWDKZNHOHFFS-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc21 1307038 XWWNHZOILWFTHC-UFFVCSGVSA-N 407.326 4.605 50 50 HJGA N#C/C(=C\Nc1ccccc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480680 YTBGOSNVEGCJKY-SDNWHVSQSA-N 416.418 4.801 50 50 HJGA CCCSC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 19848075 KSLIBBHFZJYHCI-LJQANCHMSA-N 405.523 4.621 50 50 HJGA Cc1ccc(C(=O)NC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100855432 LOSJHDSTNFVSIZ-UHFFFAOYSA-O 410.477 4.676 50 50 HJGA O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1cccc([N+](=O)[O-])c1 1693755 LOYYEMPWEAHZAH-KBPBESRZSA-N 413.065 4.677 50 50 HJGA CN1CCO/C1=C(C#N)\C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 5073617 KDNWTLQWJDNUHX-BOFCYTLRSA-N 412.276 4.752 50 50 HJGA O=C(N/N=C/c1c(-c2ccc(Br)cc2)cc2ccccn12)c1ccncc1 994920 GQRFXZQWVQQHKQ-ZVHZXABRSA-N 419.282 4.528 50 50 HJGA CCC(C(=O)N/N=C/c1ccc(C(C)C)cc1)C(=O)N/N=C/c1ccc(C(C)C)cc1 39959606 UFWABVSUIJWVBN-JQMRRPHZSA-N 420.557 4.560 50 50 HJGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 8837731 QYWHGABVNOCVDE-NPGACCKNSA-N 402.498 4.713 50 50 HJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1 4360140 MSOKHYLMPONNHO-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA CCOc1ccc(/C(C)=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 33340701 MMHOFHCGEPTNBS-NLRVBDNBSA-N 403.526 4.849 50 50 HJGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 2381729 CWAUFBYXKXLBAY-OAQYLSRUSA-N 405.885 4.653 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(Cl)c(Br)c2)c(C(F)(F)F)c1 799747038 WDJGRAKRSOQVBY-UHFFFAOYSA-N 418.600 4.750 50 50 HJGA BrCc1ccc(-c2cccc(-c3ccc(CBr)cn3)n2)nc1 136988962 VQMPPZZZYIGCCW-UHFFFAOYSA-N 419.120 4.995 50 50 HJGA O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1c(Cl)cccc1Cl 239009615 AXYRWNUJXQRIOT-UHFFFAOYSA-N 414.336 5.367 50 50 HJGA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@@H]12)OCCO3 119248586 PFXPFFMEZISHQC-VHTXEEJTSA-N 411.380 4.715 50 50 HJGA CC(C)(C)[Si](C)(C)OCCN1CCN(Cc2ccccc2Br)CC1 230554718 UXMNNQPUPDIVBQ-UHFFFAOYSA-N 413.476 4.589 50 50 HJGA O=C(NNc1nc2ccc(Cl)cc2s1)Nc1ccc(-c2csnn2)cc1 1476047296 CTDDSZSVRAOQEY-UHFFFAOYSA-N 402.892 4.617 50 50 HJGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)nc2c1 9934932 BPFPQABJRPLHEM-LCYFTJDESA-N 416.393 4.812 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1 2520071 FADLMLJBJACFGH-YZSQISJMSA-N 416.477 4.767 50 50 HJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(C)cc2)cc1 5029718 DYJYBIYOMDMLOQ-WGOQTCKBSA-N 410.477 4.620 50 50 HJGA COc1cc(Br)cnc1CN1CC[C@H](CO[Si](C)(C)C(C)(C)C)C1 169794113 YGGQFKNSXKOLDC-AWEZNQCLSA-N 415.448 4.696 50 50 HJGA in-vitro C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4330530 JQWKSBDNIKMRNA-SCELWYEFSA-N 408.885 4.837 50 50 HJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C2CCCCC2)cc1 2521994 QXGKSCZTLBEGCU-PCLIKHOPSA-N 402.498 4.578 50 50 HJGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 4534778 SNRXNFHPVUVHCK-FMCGGJTJSA-N 412.287 4.580 50 50 HJGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2c1 4739798 ZKGOHQXQHFBHCQ-RGEXLXHISA-N 408.461 4.953 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1ccccc1 9088153 FHYQFAHSRMNQIU-NLRVBDNBSA-N 410.477 4.810 50 50 HJGA c1ccc([C@@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1 100060454 OKUTYUNUKKPYJS-VWLOTQADSA-N 407.453 4.963 50 50 HJGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1 102302482 LLPXMOUDNQLPJP-NLRVBDNBSA-N 419.529 4.975 50 50 HJGA O=C(Nc1ccccc1F)[C@H](Br)[C@@H](Br)c1ccccc1 1741284 ABPJSFXZRMTBFI-UONOGXRCSA-N 401.073 4.664 50 50 HJGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 832227 HYCMRVQTMKPJNG-ZAVGGQCXSA-N 406.489 4.533 50 50 HJGA CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(F)cc1Cl 17090133 OIXAIXFAYRZILB-CXUHLZMHSA-N 414.864 4.642 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 706051 IQXGGJHATGIYJN-FOIQADDNSA-N 421.294 4.658 50 50 HJGA C[C@@H]1C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)NC2=C1C(=O)CC(C)(C)C2 856111 SPRYZWHWQWKQPB-GFCCVEGCSA-N 400.931 4.874 50 50 HJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Cl)c1Cl 102294231 HOPDLICHPRFFGM-YDZHTSKRSA-N 400.350 4.700 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 252693115 AUKSBJWTRCVBGS-IZQNYDQUSA-N 409.574 4.571 50 50 HJGA biogenic COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)o1 4723654 FLSBDUIYMMZIBB-PTNGSMBKSA-N 403.394 4.718 50 50 HJGA N#CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 2920011 CUDHGRQRGMHPTC-WGOQTCKBSA-N 415.518 4.786 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 2506501 XXTPSVARNDTVLM-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccnc2)cc1 2544368 UNHLMKFVZISRTJ-JVWAILMASA-N 409.445 4.526 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nc2ccccc21 13564385 ZLBSTGOWPPYTSL-PCLIKHOPSA-N 414.534 4.966 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 5260991 PTHWCHSYARYNMQ-NRFANRHFSA-N 414.465 4.536 50 50 HJGA CN(C)N1C(=O)[C@](CCCCCBr)(c2ccccc2)c2ccccc21 71767301 NHJOJFYHVKXEJW-OAQYLSRUSA-N 401.348 4.751 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 5297755 MYVSBDLKNOKFKA-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA CC(C)c1ccc([C@@H](CNC(=O)c2cccc3sccc23)NC(=O)CCl)cc1 1875386573 UJNCCVGRDXMCNZ-LJQANCHMSA-N 414.958 4.851 50 50 HJGA O=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5125843 ZDGTZVPQVRTPAG-DHRITJCHSA-N 400.869 4.746 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(Br)c(Cl)c2)c(C(F)(F)F)c1 799747716 HCGFFBLXLMPEMS-UHFFFAOYSA-N 418.600 4.750 50 50 HJGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccc(C)s2)c1 17090710 XYBJIXKUDOBUFN-CVKSISIWSA-N 416.506 4.944 50 50 HJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1056568 ZRFPLXXCVAJNQI-FQEVSTJZSA-N 420.856 4.553 50 50 HJGA CCCSC1=C(C#N)[C@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 19848077 KSLIBBHFZJYHCI-IBGZPJMESA-N 405.523 4.621 50 50 HJGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2530460 COBGCXCFBJKKPR-DHRITJCHSA-N 412.848 4.587 50 50 HJGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 18283587 AVWLQBGDDRLMSI-HXUWFJFHSA-N 420.900 4.813 50 50 HJGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 2597259 JCDKRJHJYHBCPI-AFUMVMLFSA-N 408.885 5.000 50 50 HJGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5354148 JHKKFVRXUZNRHT-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA CC(/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)=C\c1ccccc1 16971410 YKJWZKRBWAQAQZ-AYCHGHPVSA-N 409.287 4.658 50 50 HJGA CC(C)(C)OC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1 32632336 VGJKKDJAHWIULI-MTJSOVHGSA-N 405.292 4.887 50 50 HJGA C/C(=C\CCC1OCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833585 NIBDYHVEWCIMSM-CIAFOILYSA-N 410.630 4.662 50 50 HJGA COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 8400437 DORYDPTZDXHCOH-CXUHLZMHSA-N 416.458 4.998 50 50 HJGA CC1(C)C[C@H](C(C)(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O 169835326 ZVDANNSPHGLLIP-JOCHJYFZSA-N 424.657 4.931 50 50 HJGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 4372719 MVMWCDXHZJPJTE-FIKCODCVSA-N 400.478 4.836 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 100195471 WPBMKMXMEFLDDJ-MFOYZWKCSA-N 408.417 4.653 50 50 HJGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 867694 HKRSPBBRUBJDOI-CVKSISIWSA-N 414.440 4.559 50 50 HJGA COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1OC 2584904 XMUBGAWIKSDBPM-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA C[C@H]1C(=O)[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3CC[C@H]1[C@H]23 169833807 VKWYHZRULSDXNJ-MMNWGEBOSA-N 418.653 4.813 50 50 HJGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1O 667500 BAVOOOXITVEAQN-CVKSISIWSA-N 411.461 4.688 50 50 HJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4210673 QYCLUHXHPKQRIP-YZSQISJMSA-N 414.461 4.543 50 50 HJGA Cc1ccccc1O[Si](c1ccccc1C)(c1ccccc1C)c1ccccc1C 169815939 ONTILTVGCKCOQT-UHFFFAOYSA-N 408.617 4.966 50 50 HJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccnc2)C2=C1CC(C)(C)CC2=O 713632 GCJGYDXOCKWUFH-OAQYLSRUSA-N 418.928 4.984 50 50 HJGA Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 863834 QLZLFEUEEXQXIZ-MFKUBSTISA-N 414.534 4.635 50 50 HJGA O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 1000193 AVBHWTXJMBVJMA-LGJNPRDNSA-N 411.864 4.620 50 50 HJGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4229979 VUGUCQKEJSDZKX-PCLIKHOPSA-N 414.486 4.813 50 50 HJGA O=C(N/N=C/C=C/c1ccco1)c1cc(C2CC2)nc2ccc(Br)cc12 2785356 FOPWUGBVHQXIIX-RQCPNYRWSA-N 410.271 4.897 50 50 HJGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209517 WYCHOAGOCFIQMO-MFKUBSTISA-N 422.868 4.722 50 50 HJGA CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1 170616817 COQKAGWZYBYXMW-UHFFFAOYSA-N 414.622 4.759 50 50 HJGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(OCc2ccccc2)c1 705793 WXVFYUZGARDKIL-QFIPXVFZSA-N 422.440 4.590 50 50 HJGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1 17092246 KRHPCIUIIRDHLT-OQLLNIDSSA-N 420.494 4.594 50 50 HJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813486 MQYBBUSRKDICPP-BHGWPJFGSA-N 417.340 4.948 50 50 HJGA O=C(N/N=C1/CC[C@H]2C[C@H]1CC/C2=N\NC(=O)Nc1ccccc1)Nc1ccccc1 102311027 CPTMODILXKXYMH-HHPDWVDJSA-N 418.501 4.552 50 50 HJGA Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C 1189953 WNPVAHJSCQTANH-LDADJPATSA-N 418.428 4.996 50 50 HJGA CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 5020442 RCKAOSJJLVHLES-NRFANRHFSA-N 405.479 4.813 50 50 HJGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 17081804 WCPKVRWBDPMZMS-KEBDBYFISA-N 400.103 4.839 50 50 HJGA COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)ccc1O 1143047 WHPCBRKNLAPQOY-JOCHJYFZSA-N 418.518 4.763 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)cc1OC 4751367 GLKXVRDMCSQXBQ-OAQYLSRUSA-N 404.466 4.655 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 252693118 AUKSBJWTRCVBGS-MXGLJMFUSA-N 409.574 4.571 50 50 HJGA biogenic Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2C(=O)O)c1 731564048 ZPMHGBVABSQVAH-DEDYPNTBSA-N 412.445 4.818 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F 659602 CTPSPPRQWWMDJS-VBKZILBWSA-N 410.395 4.914 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 1199204 VYHDVCGCKLYLDI-QHCPKHFHSA-N 402.519 4.896 50 50 HJGA COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1 1185666 ZPVOGRPHPJZVMK-XMHGGMMESA-N 414.461 4.959 50 50 HJGA C/C(C=NNC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)=C/c1ccc(C(C)C)cc1 253470690 PLVPTDWDAXPPEJ-JMSKORNJSA-N 422.485 4.642 50 50 HJGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5354059 JKEJZCRBPUGQFF-FSJBWODESA-N 417.296 4.936 50 50 HJGA COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)c1cccc(Br)c1 22017045 VHFLWOJEVKGQKE-UWVJOHFNSA-N 402.075 4.528 50 50 HJGA CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 15745612 UMIOLTKHYIWIAI-GDNBJRDFSA-N 415.287 4.792 50 50 HJGA C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 169746912 BESKSSIEODQWBP-UHFFFAOYSA-N 422.819 4.989 50 50 HJGA in-vitro Cc1cccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 4354532 YIRXANHJCATMKU-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1O 3168996 JBUNFKWDANWMMW-WGOQTCKBSA-N 410.429 4.529 50 50 HJGA CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4283464 COPFZDSRWCPFFK-WGOQTCKBSA-N 402.494 4.918 50 50 HJGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1coc2ccc(Cl)cc2c1=O 2754927 KIPUDNMVEXUESQ-IZZDOVSWSA-N 415.232 4.654 50 50 HJGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)c1 12445717 FAILEQDXGCKTOP-FQEVSTJZSA-N 420.494 4.578 50 50 HJGA CC1=C(C#N)[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C2=C(CC(C)(C)CC2=O)N1 25694838 OGMHHIOVJOBDGX-NRFANRHFSA-N 403.438 4.982 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 1837620 VAGDXIGJDOTJTL-WGOQTCKBSA-N 411.461 4.770 50 50 HJGA O=C(N/N=C/[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 4474077 GXIXHYZWZPAUCO-CQWYDTSVSA-N 412.114 4.752 50 50 HJGA CC(C)(C)C[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c2C1 5296004 PBAJNEUTTPOIJO-PVLQNKMRSA-N 404.514 4.574 50 50 HJGA CC1=CC(C(Cl)Cl)=N[B-](c2ccccc2)(c2ccccc2)N1Cc1ccccc1 334157067 RRBXYMJGSCRYFT-UHFFFAOYSA-N 420.172 4.907 50 50 HJGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2570256 CFEAGMRROVCZBR-MFKUBSTISA-N 407.901 4.749 50 50 HJGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1cccc(Cl)c1Cl 6789635 ZWECAGMQVJBYCQ-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1 634321 PDBJYNNWDXRXMU-GOSISDBHSA-N 400.265 4.714 50 50 HJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 1022603 DEMCZGYBPVKIEY-FQEVSTJZSA-N 420.856 4.553 50 50 HJGA Cc1ccc2nc(-c3ccc(NC(=O)CI)cc3)sc2c1 2568344 PKLHKGNTARKGAK-UHFFFAOYSA-N 408.264 4.645 50 50 HJGA CN(C)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2875175 JIJOHWTUECHDQF-OVVQPSECSA-N 421.504 4.641 50 50 HJGA O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1 254312817 XOXCTLAKMCIWCF-UHFFFAOYSA-N 406.445 4.853 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@H]1C[C@H]1c1ccccc1 4646352 SRPXAFRGFMAJCD-TXSSHTDISA-N 409.283 4.963 50 50 HJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(O)c1 102291776 BEWHREBBOUBYNL-XIEYBQDHSA-N 403.567 4.660 50 50 HJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867900 NKWSJOUNSZFNGZ-AUEPDCJTSA-N 412.280 4.937 50 50 HJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1 800642 LFHBFDGXRXAYAF-DEOSSOPVSA-N 414.461 4.588 50 50 HJGA Cc1cc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)c(C)s1 2501788 BAGLNFOAGSEKTN-IBGZPJMESA-N 411.477 4.948 50 50 HJGA CO[C@@H]1[C@@H](C)C[C@H]2C[C@@]3(C)C[C@H](OC(C)=O)C(C)(C)[C@H]3C[C@H](Cl)[C@@](C)(O)C[C@H]21 71786680 PKUYUZSCAWMRMB-UYTTWZSMSA-N 415.014 4.800 50 50 HJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2C)c1 19833955 RYGMYTRBINQRMC-JVWAILMASA-N 424.504 4.685 50 50 HJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 1122424 YOOFSCHNGGKHPT-QFIPXVFZSA-N 418.468 4.856 50 50 HJGA CCCc1cc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)c2ccccc2n1 4651613 FGTCWFQLLPPORV-FRQJIFLKSA-N 403.482 4.510 50 50 HJGA N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(F)cc1 4722891 XDZRMYRQHPQXMR-LCYFTJDESA-N 410.788 4.983 50 50 HJGA COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OC 16425170 IOTFIWBTSIOVIB-MLPAPPSSSA-N 409.198 4.512 50 50 HJGA CC(C)[C@@H]1COC(c2c(Cl)cccc2P(c2ccccc2)c2ccccc2)=N1 1857775634 WHYRFODUDIYTCE-NRFANRHFSA-N 407.881 4.900 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1cccnc1 19759489 HHCKQYFFORVXAJ-QHCPKHFHSA-N 417.534 4.600 50 50 HJGA O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1cccc([N+](=O)[O-])c1 1693753 LOYYEMPWEAHZAH-KGLIPLIRSA-N 413.065 4.677 50 50 HJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1 2543250 ZTDDUIHZRKZAFU-JVWAILMASA-N 424.456 4.837 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1ccccc1 720233 DKTCGJFVAGSFQK-HXUWFJFHSA-N 405.448 4.906 50 50 HJGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4261073 OYWXOXIRDZWGAK-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 4302968 HQYSFAWQWQEHMB-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/C(Br)=C/c1ccccc1 6812738 CHKSYPZUNSUAMZ-QNVMDQTMSA-N 409.287 4.537 50 50 HJGA COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 673291 WAICUOAKFPZRSL-FOKLQQMPSA-N 419.264 4.938 50 50 HJGA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 253498911 AUKSBJWTRCVBGS-UOPSKQFWSA-N 409.574 4.571 50 50 HJGA biogenic N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2Br)c(C(F)(F)F)c1 799748249 PEALSVPKBFSIKT-UHFFFAOYSA-N 418.600 4.750 50 50 HJGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)s1 863822 YPUBJIVMQONFCW-YDZHTSKRSA-N 420.563 4.697 50 50 HJGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1ccccc1)=C\c1ccccc1 5019016 ZAFVSHCFWRWAEM-FRFMUACTSA-N 409.489 4.554 50 50 HJGA O=C(N/N=C/c1ccco1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 9014893 JTEUWAALCDAPPK-ZMOGYAJESA-N 420.856 4.666 50 50 HJGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Oc2ccccc2)cc1 5295997 DMGUAGKBFQTTPU-OEAKJJBVSA-N 402.479 4.598 50 50 HJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2519952 GCKPPSLPXIUMPU-JVWAILMASA-N 424.456 4.837 50 50 HJGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21 2291159 MQWZXCBMHVMYFJ-WGOQTCKBSA-N 423.488 4.581 50 50 HJGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c(C)s1 2501766 AGFKIJXKWDQITK-FQEVSTJZSA-N 420.494 4.578 50 50 HJGA CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 17087544 WZHZNWRQAIXTSA-YBEGLDIGSA-N 406.873 4.847 50 50 HJGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)cc1 1188920 GWJUUKOJVRZCGO-GHRIWEEISA-N 404.397 4.808 50 50 HJGA CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 4728308 JLDOSIKUPJLQEA-LJQANCHMSA-N 411.552 4.844 50 50 HJGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2cccc3ccccc23)n[nH]1 12464105 ZKNNQPRULRHQNT-YDZHTSKRSA-N 419.282 4.756 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1cccs1 8809703 ACXKATXEEQBQMH-LJQANCHMSA-N 420.494 4.597 50 50 HJGA COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 12648992 YQSGEWMIVVIMFN-YSMPRRRNSA-N 421.884 4.755 50 50 HJGA Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)s1 1002539 NNAVICXTFSXIPE-UHFFFAOYSA-N 408.527 4.548 50 50 HJGA CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3 2785948 IQURDZLPXREQRW-IBGZPJMESA-N 421.884 4.511 50 50 HJGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 1190974 IQTWHUWGVMUMFC-XDHOZWIPSA-N 400.438 4.856 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 755737 OUJQFDCADNSDTI-MGPUTAFESA-N 410.395 4.914 50 50 HJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1472227 GFLBAOUXRSCWGP-GOSISDBHSA-N 408.864 4.835 50 50 HJGA Cc1cc(C)c(COc2ccc(Br)cc2)cc1/C=C(\C#N)C(N)=S 1158451 XREJCGALLSSAQF-OVCLIPMQSA-N 401.329 4.838 50 50 HJGA COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 1189699 NIHUHZJIPNDZBU-CPNJWEJPSA-N 417.440 4.566 50 50 HJGA COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Cl)c1O 16361733 HAXVCGBTJFXEDB-SDQBBNPISA-N 411.626 4.723 50 50 HJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1215776 HYCYOIVSSDFJRW-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 2553749 RTZBTDJBDIEICI-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297080 WUSUTCPGBUYEMW-MZJWZYIUSA-N 419.488 4.882 50 50 HJGA O=C(N/N=C(\c1ccccc1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 22590153 RLAWHSCKSCRQLS-ZBJSNUHESA-N 424.254 4.540 50 50 HJGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1Cl 2518522 VHQWINQOSDOHDG-AFUMVMLFSA-N 401.853 4.735 50 50 HJGA COC1=CC2=C(C=O)C[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 257356835 KPFBUSLHFFWMAI-LAASSQBPSA-N 414.542 4.549 50 50 HJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(F)cc1 669279 IZWGYTYFDIKNKH-QFIPXVFZSA-N 418.468 4.856 50 50 HJGA biogenic CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 5059251 RWULMNVPSYURLJ-ATVHPVEESA-N 402.406 4.589 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21 1261605 UHVVXLZPFQRXFZ-UFFVCSGVSA-N 407.326 4.605 50 50 HJGA Cc1ccc2c(C(=O)NCc3ccc([C@@H](C)NC(=O)CCl)cc3)csc2c1 1875384496 QSIMADGKPPEFLJ-CQSZACIVSA-N 400.931 4.556 50 50 HJGA O=C(Cc1ccccc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261035 BZOYSEPRZYDANW-OVVQPSECSA-N 408.457 4.752 50 50 HJGA CCCC/C(=N\NC(=O)c1ccccc1I)c1ccccc1 12403562 YVHVCENZKIAMPY-LVZFUZTISA-N 406.267 4.616 50 50 HJGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)O 8781186 UFXNXPYSNUBHPZ-ATVHPVEESA-N 419.868 4.991 50 50 HJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(C)o3)nc3ccccc32)cc1 730111 SCYNDFLUKQZIRA-ZMOGYAJESA-N 418.522 4.537 50 50 HJGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccco3)c3ccccc3n2)c(OC)c1 1003471 OZFXSCQWJJTUKH-CVKSISIWSA-N 415.449 4.666 50 50 HJGA CNc1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1 8683528 WUWDUFLAAPSZLL-UHFFFAOYSA-N 408.825 4.676 50 50 HJGA aggregator COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 9014986 ZTJSTFXBXYWDKW-QZTJIDSGSA-N 412.898 4.851 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1 713563 DGAXPFMQISKSDV-JOCHJYFZSA-N 419.912 4.962 50 50 HJGA Cc1cc2nc(/C(C#N)=C\c3ccc(O)c(I)c3)[nH]c2cc1C 13943472 QYSUYPVABVBAET-QPEQYQDCSA-N 415.234 4.554 50 50 HJGA COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(OCc2ccccn2)c(C)c1 207936656 PWZLMUNGPFEXDV-ZHZULCJRSA-N 413.477 4.832 50 50 HJGA CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 257347827 VJGLIYQCQCELBZ-KGRLHAKYSA-N 411.380 4.903 50 50 HJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1OCc1ccccc1 4366678 RPVZOWNPUOJAMW-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1 5020130 SRRUMABNAHIISO-QFIPXVFZSA-N 406.482 4.727 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 625550 RFXVJPFDROSPEG-SFHVURJKSA-N 411.255 4.524 50 50 HJGA O=C(C[n+]1ccccc1)N/N=C(/C=C/c1cccc(Cl)c1Cl)c1ccccc1 5732878 HOOWUPNXYHTHIL-HGKHCVDQSA-O 411.312 4.515 50 50 HJGA O=C(N/N=C/c1cccc2cccnc12)c1cc(-c2ccncc2)nc2ccccc12 1875257119 MUJHUHAVIQXZPW-LQKURTRISA-N 403.445 4.609 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 1139688 NDYNZLJLQBAYNW-NRFANRHFSA-N 424.859 4.873 50 50 HJGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 2831727 SIQWSNQUGQCONO-PXLXIMEGSA-N 402.336 4.839 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 1192046 YOOMBTRYMNTWDC-QINSGFPZSA-N 403.394 4.718 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccco1 1199048 CLHBFMBKXQGXAF-QFIPXVFZSA-N 406.507 4.798 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1190156 IMYMVMLRFFOKHW-AQTBWJFISA-N 416.437 4.557 50 50 HJGA Cc1ccc2c(Cl)c(C(=O)N/N=C(\CCC(=O)O)c3ccccc3)sc2c1 5020978 IXVNHRNZCXPSCJ-PXLXIMEGSA-N 400.887 4.862 50 50 HJGA CC(C)(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)o1 100706457 OWMMCPGRLNFMSV-UHFFFAOYSA-O 418.522 4.880 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 16995078 ZYUCYEWERUZSHH-YZSQISJMSA-N 411.509 4.840 50 50 HJGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 4335824 MFNGLQHSBQEDEI-CVKSISIWSA-N 402.494 4.720 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 2573351 WLMSYAQBRYXTNX-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 4209980 SQIAWOBKQZTDCM-NZTOXLHLSA-N 404.853 4.723 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nc2ccccc21 1310276 FKWXUIJINBFJES-UFFVCSGVSA-N 407.326 4.605 50 50 HJGA CCc1ccc2c(Cl)c(C(=O)NNC(=O)Nc3cccc(C(C)=O)c3)sc2c1 2858408 PNCUKDUGVDKADT-UHFFFAOYSA-N 415.902 4.786 50 50 HJGA CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 13810315 MBJYZQLQHNQKQL-STZFKDTASA-N 412.493 4.907 50 50 HJGA CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 17082152 QHRPTHKIUXQKIP-SFQUDFHCSA-N 401.378 4.603 50 50 HJGA O=C(Nc1ccc(C(=O)N/N=C/C=C\c2ccccc2)cc1)Nc1ccccc1F 4799424 FPRJBZBRULGSBK-GLDVUVPDSA-N 402.429 4.899 50 50 HJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 245226755 KFLVYUCNGBMMDP-BVNRNSLPSA-N 401.850 4.785 50 50 HJGA O=C(CCl)OC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 215975386 SOPGEFPQLVBJHN-AZHPSCLISA-N 407.335 4.620 50 50 HJGA Cc1ccc(CSCC(=O)NNC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 6788269 HPSYJPFMJGYONK-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1cccc([N+](=O)[O-])c1 4675056 QBXZIQNGRXLAQR-LFVJCYFKSA-N 400.438 4.633 50 50 HJGA COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 25762736 CWAUFBYXKXLBAY-NRFANRHFSA-N 405.885 4.653 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 1195371 OJAFZHQEWQJWHY-FOWTUZBSSA-N 403.394 4.799 50 50 HJGA COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 2581499 FUOOGGHEYSFEDY-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 2702170 XFTOTZGBYDXEQB-WGOQTCKBSA-N 411.461 4.683 50 50 HJGA CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3 2785947 IQURDZLPXREQRW-LJQANCHMSA-N 421.884 4.511 50 50 HJGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCc1ccc2c(c1)OCO2 17087511 GQKJZWWKZAOWRI-MHWRWJLKSA-N 406.825 4.552 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1ccc(Cl)cc1 2513469 JQTRBTGZDJJIPB-DHRITJCHSA-N 412.848 4.831 50 50 HJGA C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc(N2CCOCC2)cc1 4619427 JKRNETWGPKDKJM-NLRVBDNBSA-N 423.557 4.630 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(O)cc1O 13322298 DSFPLLSKKLFJHG-ZMOGYAJESA-N 403.463 4.529 50 50 HJGA ICC12CC=CCC1(CI)CC=CC2 97943397 OWMZOXWAWLUZOM-UHFFFAOYSA-N 414.068 4.529 50 50 HJGA CC(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)o1 97976886 PVYXNTFBOZZALG-UHFFFAOYSA-O 404.495 4.706 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1Cl 2911839 MPALXRDSKZYUMX-UFFVCSGVSA-N 404.209 4.926 50 50 HJGA O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1 60272678 LFNHHHWATWJWMO-UHFFFAOYSA-N 411.461 4.724 50 50 HJGA C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408798652 WHRILBSBRHSEND-GZTJUZNOSA-N 409.283 4.624 50 50 HJGA CCNC(=S)NNC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12 2112558 YVLBPQVYLCEIGX-OAHLLOKOSA-N 406.555 4.544 50 50 HJGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4372621 CPMPEVLCXCEYNW-OJWZXOLNSA-N 418.493 4.582 50 50 HJGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)nc2c1 4739826 SQNIVRTUFPJDNS-GDNBJRDFSA-N 413.393 4.731 50 50 HJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCC)cc1 102294973 HWVCOZGOPPVHPC-XIEYBQDHSA-N 403.567 4.573 50 50 HJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(N(C)C)cc2)cc1 100078155 WMXGHVCQUVNJPO-CLOONOSVSA-N 413.521 4.646 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)cc1Cl 4608512 ZUIHMKKAGBYZHA-SSDVNMTOSA-N 407.326 4.513 50 50 HJGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccccc1 5020388 VUZDTTWJBBUHOQ-OAQYLSRUSA-N 405.479 4.813 50 50 HJGA CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253499618 LJXRMMRZNQCIDI-UIBQMBKGSA-N 400.563 4.968 50 50 HJGA biogenic N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 752693 RBNOCQDYTUIIEB-MGPUTAFESA-N 410.395 4.914 50 50 HJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1 1834718 SZJKUKKIPAPMEZ-CVKSISIWSA-N 406.445 4.853 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1 4335835 HAKGWMSXEMJGCX-AFUMVMLFSA-N 424.884 4.787 50 50 HJGA CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 1189308 DKWWEYYUXQBYME-CPNJWEJPSA-N 416.456 4.737 50 50 HJGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 4710592 LHVBNSULXSRVGP-UNOMPAQXSA-N 400.438 4.856 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 752691 RBNOCQDYTUIIEB-YWZLYKJASA-N 410.395 4.914 50 50 HJGA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1 634320 PDBJYNNWDXRXMU-SFHVURJKSA-N 400.265 4.714 50 50 HJGA Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C 1216288 XVSAFSNXAIAEIT-XDHOZWIPSA-N 400.438 4.856 50 50 HJGA O=C(Nc1ccccc1C(=O)N/N=C/CCc1ccccc1)c1ccccc1Cl 4800897 PQJUKGLOHOMWNY-PCLIKHOPSA-N 405.885 4.941 50 50 HJGA N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Br)c2)c(C(F)(F)F)c1 799752225 ZKFVQMKAFOEGBP-UHFFFAOYSA-N 418.600 4.750 50 50 HJGA O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccccc2)c1N1CCc2ccccc2C1 4993937 BBKVJUZZZQGWKD-UHFFFAOYSA-N 403.269 4.819 50 50 HJGA CCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19720542 ZMEOBOGLOHNTNX-OAQYLSRUSA-N 405.523 4.783 50 50 HJGA O=C(N/N=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccc([N+](=O)[O-])cc1 5042341 FRQJHYFRYQUJAT-MXAYSNPKSA-N 416.412 4.501 50 50 HJGA Cc1ccc2c(Cl)c(C(=O)N/N=C3\C(=O)Nc4c3ccc(Cl)c4C)sc2c1 17091341 PUVOEOWUIYOGKI-UHFFFAOYSA-N 418.305 4.911 50 50 HJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 32649955 SOXSEKKHSFOSHR-WZJLVRHISA-N 408.885 4.837 50 50 HJGA N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccccc1 7156936 PUICPGKYARJMTF-LFVJCYFKSA-N 418.500 4.822 50 50 HJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(F)cc1 669281 IZWGYTYFDIKNKH-JOCHJYFZSA-N 418.468 4.856 50 50 HJGA biogenic O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OCc2ccccc2)cc1 2952233 PDIQATQZALFTML-WPWMEQJKSA-N 410.473 4.948 50 50 HJGA CC(C)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 17089396 PXWBAKRZFDMIAK-CXUHLZMHSA-N 412.873 4.692 50 50 HJGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI 95671272 NVPYUCSZZRWYML-UHFFFAOYSA-N 409.964 4.525 50 50 HJGA in-vitro Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 2924707 GJXJEZIRTXHJCW-MJHSOURCSA-N 411.549 4.826 50 50 HJGA O=P(OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2573154 XTAYANNRWHXQOL-UHFFFAOYSA-N 418.369 4.861 50 50 HJGA biogenic,in-vitro COc1ccccc1/C=N/NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 2865172 HWCMMIHIMAKMBZ-YZSQISJMSA-N 408.461 4.583 50 50 HJGA COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 3105456 RKXBCHOYHNWLAF-QHCPKHFHSA-N 413.521 4.945 50 50 HJGA COc1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1 2820697 XRZZKYKTFKBTEM-UVTDQMKNSA-N 407.451 4.533 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1 9324487 PGDRYZGQLXJARY-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 13372240 VMQKQXVVRBYTRS-STZFKDTASA-N 412.493 4.907 50 50 HJGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CBr)CC[C@@]43C)[C@H]1CCC2=O 254635286 ZACWFFSSQLMXTB-YLMHJTNXSA-N 409.364 4.825 50 50 HJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 946601 MYXRJXMYSDVPGA-WPWMEQJKSA-N 424.504 4.982 50 50 HJGA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Oc3ccccc3)c2)C(C#N)=C(N)O1 1228306 TXWCNHNLGQCPIF-NRFANRHFSA-N 404.466 4.904 50 50 HJGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OCc1ccc(Cl)cc1 2544107 DQWDXZUIMNSNSL-ZVHZXABRSA-N 400.906 4.958 50 50 HJGA C[C@H](NC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2)c1ccccc1 2731656 SRWUHYXWBJXDQP-HOCLYGCPSA-N 415.628 4.769 50 50 HJGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)c(C)s1 27550621 ZXSMNBCHTAIUPX-HXUWFJFHSA-N 420.494 4.578 50 50 HJGA COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1OC 43761088 FSSPPHCXVIQUEP-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)cc1Cl 102294741 ODFSNGYBLKEOFJ-YDZHTSKRSA-N 400.350 4.700 50 50 HJGA CCOc1ccc2ccccc2c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 238924240 RHHGQDDDDBIJNQ-INIZCTEOSA-N 410.901 5.118 50 50 HJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 2553551 OFBSCFLLOPOWPR-WPWMEQJKSA-N 414.505 4.832 50 50 HJGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)cc1 6788284 HBDCXWSDGSMWLU-UHFFFAOYSA-N 414.383 4.553 50 50 HJGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@@H](Br)C(C)(C)[C@@H]2Br 1093191 RTIFWUFFVFEQBA-HUUCEWRRSA-N 412.125 4.603 50 50 HJGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC 2695715 RYFCTUORUUFKJA-WGOQTCKBSA-N 411.461 4.683 50 50 HJGA Cc1c(-c2csc(/C(C#N)=C/c3cccs3)n2)c(=O)n(-c2ccccc2)n1C 4580257 MTEOUMPBGIVNSW-RVDMUPIBSA-N 404.520 4.734 50 50 HJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccco1 13239766 YHJWNQTXPUGIAB-FSJBWODESA-N 424.913 4.573 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5354053 RXSXJGVWSCZPAU-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA NC(=O)N/C(=C\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102311159 FYISOSFLXZRBDJ-YYADALCUSA-O 423.476 4.647 50 50 HJGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(C)NC2=C1C(=O)CC(C)(C)C2 636990 ZWLKSENTTHVHOG-SFHVURJKSA-N 401.304 4.585 50 50 HJGA C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4372896 JBEJVUKYURANIE-YRDQYSPCSA-N 400.478 4.836 50 50 HJGA COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C 4810922 UFOAVPLRLJQAIO-ODLFYWEKSA-N 417.421 4.773 50 50 HJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3cccc(Cl)c3)c2)cc1 17092826 VITNZQAWJWRQCE-CVKSISIWSA-N 421.884 4.755 50 50 HJGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5125808 KISSGNVDMVMRDN-DHRITJCHSA-N 400.869 4.746 50 50 HJGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)[nH]n2)cc1 5297732 BGBLJNUXFABWHD-PCLIKHOPSA-N 412.449 4.642 50 50 HJGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccc3ccccc3c2)n[nH]1 5350432 BUNJUZBWMUZSCF-FSJBWODESA-N 419.828 4.555 50 50 HJGA COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1 33859541 AFJHTZWKKOEPSV-UYRXBGFRSA-N 409.445 4.987 50 50 HJGA CC(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)cc1 1083414 WOBWMZBZTCEEKX-YDZHTSKRSA-N 407.426 4.654 50 50 HJGA CCOc1ccc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 238924241 RHHGQDDDDBIJNQ-MRXNPFEDSA-N 410.901 5.118 50 50 HJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)=O)cc3)c2C)cc1 1189750 AUDJTOAWUCWMSB-KGENOOAVSA-N 413.477 4.851 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1231700 OXCYLZAOKAPGPF-IBGZPJMESA-N 407.267 4.829 50 50 HJGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5317542 ASPYDSYOMOEUJB-JVWAILMASA-N 424.504 4.881 50 50 HJGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)sc2c1 25583984 FXIGPWFLDXRPLK-DNTJNYDQSA-N 424.265 4.889 50 50 HJGA COC1=CC2=C(C=O)C[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@]2(C)CC1 257356834 KPFBUSLHFFWMAI-JGIPNCKBSA-N 414.542 4.549 50 50 HJGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4282080 POQAMCDZDJWISV-LFVJCYFKSA-N 422.506 4.910 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 752690 RBNOCQDYTUIIEB-QRWLVFNGSA-N 410.395 4.914 50 50 HJGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1111660 TVZGZFNSNALAEN-KGENOOAVSA-N 421.474 4.770 50 50 HJGA CCCCOc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4210636 DGCWLTQOWYTJIN-ZVHZXABRSA-N 411.889 4.596 50 50 HJGA COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 9014987 ZTJSTFXBXYWDKW-ZWKOTPCHSA-N 412.898 4.851 50 50 HJGA CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253499616 LJXRMMRZNQCIDI-FAKVLNDESA-N 400.563 4.968 50 50 HJGA biogenic O=C(CCCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 4527603 YFDPZPXPTJZRCW-DYSOAMKFSA-N 416.525 4.568 50 50 HJGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1cccs1 5020403 MFZOWUKXEBCYMV-LJQANCHMSA-N 411.508 4.875 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1772491693 WCCVKAYHSCWCEN-KUHVIOCQSA-N 404.547 4.944 50 50 HJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 4366252 GMGSBVFZKREYBZ-STPJHCLOSA-N 408.885 4.837 50 50 HJGA N#C/C(=C/c1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 16670988 ZPUVRYBJVOJBOQ-WZUFQYTHSA-N 424.048 4.890 50 50 HJGA C[C@@H]1C(=O)[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3CC[C@H]1[C@H]23 169833780 VKWYHZRULSDXNJ-POBGTBPQSA-N 418.653 4.813 50 50 HJGA COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 5796274 MBYYHMFYTXXAJA-WGOQTCKBSA-N 410.477 4.620 50 50 HJGA Cc1scc(C(=O)NNC(=S)Nc2ccc(F)cc2F)c1-c1ccccc1 2855494 UWHAQCLYKOEIHF-UHFFFAOYSA-N 403.479 4.633 50 50 HJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 2520030 XJFHMNAIRRJHOY-YZSQISJMSA-N 416.477 4.767 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1COc2ccccc2O1 13880627 PKQDPALVYGUQAV-LCLGRWFKSA-N 417.248 4.544 50 50 HJGA CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(C)=O)=C(C)N2)cc1 1199071 QCGFIJGOECVRBW-JOCHJYFZSA-N 406.507 4.743 50 50 HJGA aggregator O=C(Nc1ccc(F)cc1)[C@H](Br)[C@H](Br)c1ccccc1 1741274 DOXHHEOFUVDLPL-ZIAGYGMSSA-N 401.073 4.664 50 50 HJGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c(C)s1 2501767 AGFKIJXKWDQITK-HXUWFJFHSA-N 420.494 4.578 50 50 HJGA CC(C)Cc1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c2ccccc2n1 2738192 VJWZANCEZWUJAN-BHGWPJFGSA-N 409.873 4.579 50 50 HJGA CC1=CC(C)(C)N(C)c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 169681363 YVOVMLIVXWOQEH-NRFANRHFSA-N 403.526 4.769 50 50 HJGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3c(Cl)cccc3Cl)c2C)cc1 1842207 QJMNBTSNEYRBSO-FOKLQQMPSA-N 417.296 4.855 50 50 HJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1 2553789 QGODLOGKUDFDBV-MFKUBSTISA-N 422.868 4.722 50 50 HJGA O=P(OCC(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1 2900700 XTMMQBINMKHYNZ-UHFFFAOYSA-N 400.230 4.765 50 50 HJGA C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)C2CCC2)cc1 4650860 ACUFQRAQDBNZSA-JVWAILMASA-N 407.558 4.872 50 50 HJGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 1227966 WRDQMJSELDWSJT-IBGZPJMESA-N 406.825 4.612 50 50 HJGA Cc1nc2c(c3c1[nH]c1ccccc13)/C(=N\NC(=O)c1ccccc1O)CC(C)(C)C2 100628691 LTGIUERQVGYBKH-USHMODERSA-N 412.493 4.837 50 50 HJGA N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1nc2ccccc2[nH]1 4756109 WHWDMGQNVBZWFL-PTNGSMBKSA-N 408.417 4.921 50 50 HJGA COc1ccc(/C=N/NC(=O)c2sccc2C)cc1COc1ccc(F)cc1F 2761572 LXADFUVIXFEGLU-BHGWPJFGSA-N 416.449 4.686 50 50 HJGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 3088794 OBCXGSWRCZWCMP-SCELWYEFSA-N 408.885 4.837 50 50 HJGA CCN1CCC(=NNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)CC1 55057237 OVYUCVCAXFDVRK-UHFFFAOYSA-N 400.526 4.720 50 50 HJGA CC(C)c1ccc([C@H](CNC(=O)[C@H]2CCCc3sccc32)NC(=O)CCl)cc1 1875386289 MDQUUYHMDDDHJR-OALUTQOASA-N 418.990 4.504 50 50 HJGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2389055 LIHLSJBRFOEKQS-AFUMVMLFSA-N 424.884 4.700 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccco1 5126101 GEAKZBVXVCLHCD-KOEQRZSOSA-N 418.522 4.619 50 50 HJGA Cc1cc(C)cc(OCc2ccc(C(=O)N/N=C\C=C\c3ccccc3[N+](=O)[O-])o2)c1 12649387 MOOZEXSWHKNOAA-LARUOSKASA-N 419.437 4.813 50 50 HJGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccc(Br)c1 13894217 MAUWSRSWSKSXBL-RGVLZGJSSA-N 420.357 4.691 50 50 HJGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 2358300 CGPGYVSAJOZWIO-BUVRLJJBSA-N 421.570 4.505 50 50 HJGA CC(C)c1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Br)cc2)cs1 17090992 MEGOXRRJBFPPIS-ZVBGSRNCSA-N 417.332 4.788 50 50 HJGA COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 2795054 YGRFSQQPHIIVHV-KPKJPENVSA-N 410.779 4.922 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(C3SCCS3)cc2)c(C(F)(F)F)c1 799746485 MHCHNBJVTHUTKO-UHFFFAOYSA-N 409.458 4.813 50 50 HJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2)c1 2531613 SERUTBOJJYJBLD-JVWAILMASA-N 424.456 4.837 50 50 HJGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4355331 DRYBIPCPEPYNBA-SCELWYEFSA-N 408.885 4.837 50 50 HJGA Cn1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c2ccccc21 6614975 DRFVTOVYXOAHMT-JFLMPSFJSA-N 406.489 4.945 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1 705514 QVUHXCZCIZDVNL-OAQYLSRUSA-N 405.885 4.653 50 50 HJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(SC)cc2)[nH]n1 945748 PRHDBHNCYHBCEL-ZVHZXABRSA-N 416.506 4.724 50 50 HJGA COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)cc3OC)n2)cc1 4278985 LWXHAIVKFBLQAZ-CXUHLZMHSA-N 408.479 4.909 50 50 HJGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)c1 5126096 BAWHSTCUNNJTIX-SSDVNMTOSA-N 403.269 4.546 50 50 HJGA N#C/C(=C\c1cn(Cc2cccc(Br)c2)c2ccccc12)C(=O)NC1CC1 17092102 QHLUKUOKFYQOKY-LFIBNONCSA-N 420.310 4.638 50 50 HJGA COc1cccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 2935227 FYVLIQFAXZCRGN-YZSQISJMSA-N 408.461 4.583 50 50 HJGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)cc1 4981321 GMZHWGIRULOVAN-FOKLQQMPSA-N 417.296 4.855 50 50 HJGA O=C(N/N=C/c1cc(Br)ccc1O)c1sc2ccccc2c1Cl 5379516 CLCGBQCCTSSEGB-UFWORHAWSA-N 409.692 4.787 50 50 HJGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(C(F)(F)F)c2)CCCC1 732112949 JXQAVQNCETYOCF-UHFFFAOYSA-N 416.403 4.711 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1 4282238 JVYREBPJJCABLJ-YZSQISJMSA-N 416.477 4.767 50 50 HJGA CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OCC 1192804 VAPOJMSILZGVQB-WSDLNYQXSA-N 406.935 4.521 50 50 HJGA CC[C@@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)cc1 6394136 CUFNRYZZVZKBSY-MRXNPFEDSA-N 401.601 4.760 50 50 HJGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 5349928 ROIGMKHONFHWOX-SRZZPIQSSA-N 417.694 4.647 50 50 HJGA CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F 1185243 PDENRDMEPWLCRU-OQLLNIDSSA-N 404.235 4.637 50 50 HJGA C=C(C)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 841872 FHVWMRCNZGDNRP-LJQANCHMSA-N 420.534 4.922 50 50 HJGA N#CC1=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1064112 QRTBBZWUXIBFLP-IBGZPJMESA-N 411.292 4.693 50 50 HJGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 673632 PHJGADOWCUPDAB-AFUMVMLFSA-N 415.449 4.584 50 50 HJGA O=C(N/N=C/c1cccc2ccccc12)C1CCN(Cc2ccc(F)cc2Cl)CC1 2090098 NFAYPQNRRWOUBP-JFLMPSFJSA-N 423.919 4.995 50 50 HJGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccnc2)c2ccccc2n1 15934360 MBSPYMKXLCUOCP-OGLMXYFKSA-N 410.477 4.850 50 50 HJGA COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1OC 36173637 BIOOVDSCJNADMI-AUWJEWJLSA-N 409.423 4.505 50 50 HJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 4210088 TVPAROFYEMTKEX-KKKYSEFRSA-N 421.456 4.618 50 50 HJGA CN(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 109460115 TUKZIFIRCFVWIY-MFKUBSTISA-N 407.901 4.749 50 50 HJGA O=C(NNC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc2sncc2c1 1875334070 WYPCRQZCQNLZJU-UHFFFAOYSA-N 420.878 4.770 50 50 HJGA O=C(N/N=C/[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 1057865 GXIXHYZWZPAUCO-VIRAGPHVSA-N 412.114 4.752 50 50 HJGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)S(=O)(=O)c1ccco1 4543030 FGCHEYAWYLQHML-XNTDXEJSSA-N 404.241 4.640 50 50 HJGA O=C1c2ccccc2C(=O)c2cc(C(Br)Br)c(Cl)cc21 4288095 QWOJXOJSUFYISN-UHFFFAOYSA-N 414.480 4.904 50 50 HJGA CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253499617 LJXRMMRZNQCIDI-LBHQMPEXSA-N 400.563 4.968 50 50 HJGA biogenic CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 667847 XKXZKWMFXZGNFQ-DHRITJCHSA-N 424.888 4.806 50 50 HJGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2597692 JFHIYPNKURLRRI-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 20075913 ZALMHVRGQSZLEL-FQEVSTJZSA-N 420.856 4.553 50 50 HJGA O=C(N/N=C/c1ccsc1)c1cc(C2CC2)nc2ccc(Br)cc12 1003469 VHMSZATUIVDWCZ-AWQFTUOYSA-N 400.301 4.700 50 50 HJGA O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1cccs1 4259101 UPZRVWALNARNBH-BUVRLJJBSA-N 400.459 4.884 50 50 HJGA O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc2ccccc12 2929304 DRHISMIWNOZELV-WSDLNYQXSA-N 413.340 4.986 50 50 HJGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100195486 IHVRHQFFNHWPTK-MFOYZWKCSA-N 409.405 4.863 50 50 HJGA Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)c1sc2ccccc2c1Cl 252679513 NOWKNKIUCCOHFM-UHFFFAOYSA-N 410.886 4.518 50 50 HJGA CC/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(O)cc1 39943826 USCWBAHSVNOBSG-YYADALCUSA-N 410.477 4.578 50 50 HJGA O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 711908 MEMJQWACUZPANO-MFKUBSTISA-N 417.490 4.768 50 50 HJGA COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(COc3cccc(Cl)c3)o2)cc1 17093298 YVTBXZMJVVDDNU-GZTJUZNOSA-N 422.868 4.744 50 50 HJGA COC1=CC2=C(C=O)C[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 257356833 KPFBUSLHFFWMAI-GNKWMNRNSA-N 414.542 4.549 50 50 HJGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCCC(C)C 5044818 XGJUJSYFFPLKSZ-YBEGLDIGSA-N 406.442 4.969 50 50 HJGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 3088792 OBCXGSWRCZWCMP-STPJHCLOSA-N 408.885 4.837 50 50 HJGA c1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1 135843775 PXKBZZCPBWBSKT-QHCPKHFHSA-N 421.480 4.833 50 50 HJGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)O)c1 12445281 BOQROOVVYDGPGT-WQRHYEAKSA-N 419.868 4.991 50 50 HJGA CCOc1cc(/C=C(\C#N)C(=O)OC)ccc1OCc1cccc(C(F)(F)F)c1 17083136 XEMMZDSMFZSTLL-CXUHLZMHSA-N 405.372 4.763 50 50 HJGA N#Cc1ccc(NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C(F)(F)F)c1 799751101 LBTWXVFGTAMBHF-UHFFFAOYSA-N 424.382 4.586 50 50 HJGA CCCOc1c(OCC)cc(C=C(C#N)C#N)c(Br)c1Br 2750752 ARJDQOCCMFYWBY-UHFFFAOYSA-N 414.097 4.830 50 50 HJGA CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 100498325 NWXOYBMKWIJGIN-PTNGSMBKSA-N 405.439 4.653 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccccc1 1022610 NTGDSYCMGNZZFS-OAQYLSRUSA-N 414.465 4.536 50 50 HJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(O)cc3)c2C)c1 5068807 SGVJNDZNVLQXBZ-UYRXBGFRSA-N 401.466 4.744 50 50 HJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4330528 JQWKSBDNIKMRNA-STPJHCLOSA-N 408.885 4.837 50 50 HJGA CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@H](C)Br)c1ccccc1CC2 22340958 MTRKYBQMSQPORY-ZDUSSCGKSA-N 417.303 4.802 50 50 HJGA COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1 15012327 WGKZZLIBYQZSKX-BKUYFWCQSA-N 413.477 4.735 50 50 HJGA COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 16671764 IJTWOYFMKXMJBC-CXUHLZMHSA-N 408.479 4.909 50 50 HJGA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CCl 22012673 ZQCWGEVCMARRSG-IBGZPJMESA-N 403.906 4.509 50 50 HJGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 32540521 AVWLQBGDDRLMSI-FQEVSTJZSA-N 420.900 4.813 50 50 HJGA COc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1 5796282 WOLBXFYSKXSWMP-WGOQTCKBSA-N 410.477 4.620 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccsc1 720261 OUMJUDQCQAGHNQ-SFHVURJKSA-N 411.477 4.967 50 50 HJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1 705428 MFNBHXASGJKBHS-JOCHJYFZSA-N 418.928 4.711 50 50 HJGA COc1ccc(-c2nn(Cc3cccc(Cl)c3)cc2C=C(C#N)C#N)cc1OC 17083052 TTWGJWKNCBZUEJ-UHFFFAOYSA-N 404.857 4.700 50 50 HJGA C=CCOc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1 4360637 OMGRLWPBGWWZHQ-YZSQISJMSA-N 400.478 4.903 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)cc1 5583783 NOSQFOXBNKRWEJ-NLRVBDNBSA-N 416.525 4.555 50 50 HJGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2c(ccc3ccccc32)oc1=O 12342887 YAAUDXDDSGRKEW-DICXZTSXSA-N 422.440 4.959 50 50 HJGA CC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 1191909 QOYIDZNRHZNYGD-DEDYPNTBSA-N 401.441 4.982 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(C(F)(F)F)c1 755735 OUJQFDCADNSDTI-YWZLYKJASA-N 410.395 4.914 50 50 HJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccco1 5020072 WXLWJWKUOICBOB-HXUWFJFHSA-N 412.898 4.834 50 50 HJGA O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 2007605 OUNSOXPSCMCFHX-UHFFFAOYSA-N 408.285 4.602 50 50 HJGA in-man Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 4427732 DXFTZLCHGXKVDZ-GOSISDBHSA-N 408.914 4.882 50 50 HJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(F)cc1 3664308 ZZPNICWABPDUET-JVWAILMASA-N 412.420 4.962 50 50 HJGA O=C(COc1cccc(Cl)c1)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 4616279 ZBXBQJIJHNVONP-JLUADYMRSA-N 408.845 4.990 50 50 HJGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(Br)cc2)n[nH]1 5402828 RFAKJGWWMJUXJN-YDZHTSKRSA-N 419.282 4.756 50 50 HJGA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)C=O)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257347711 QYULYNHVAKXRSR-YHAZYVASSA-N 402.531 4.539 50 50 HJGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@@H]1C[C@H]1c1ccccc1 673178 SRPXAFRGFMAJCD-VKCZAOEGSA-N 409.283 4.963 50 50 HJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210598 DIUYEZAMIYYIDY-MFKUBSTISA-N 422.868 4.722 50 50 HJGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1Cl 4287475 HGSDOLUYYWRBRX-AFUMVMLFSA-N 422.868 4.640 50 50 HJGA N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 16361736 GZJBDRWSYPCUSX-ODLFYWEKSA-N 400.390 4.967 50 50 HJGA N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 5064148 KYRFQAYIUYITQD-DHDCSXOGSA-N 404.253 4.802 50 50 HJGA COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 15012335 WPSZIGWJDTWYRE-STZFKDTASA-N 413.477 4.735 50 50 HJGA C[C@H]1CC(C)(C)N(C)c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 245240256 OITUOTRRXAYPNP-QKKBWIMNSA-N 405.542 4.859 50 50 HJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(Cl)cc2)cc1 731214 JODRESIUOIQHNJ-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccc(Cl)cc1 43190733 GILXOISSUOVFAS-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1108874 YLUIMAMGZNPFGH-INIZCTEOSA-N 413.264 4.610 50 50 HJGA N#C/C(=C(/O)c1ccc(I)cc1)c1nc2ccccc2s1 100439630 FFLHLUXCZJEORH-QINSGFPZSA-N 404.232 4.851 50 50 HJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc1 2531732 FWBKHKNPPBLMMF-KOEQRZSOSA-N 408.498 4.725 50 50 HJGA CCCCc1ccc(N2C(N)=CS/C2=C(/C#N)S(=O)(=O)c2ccccc2)cc1 18156407 AEXBRJJOLGKLLG-VZCXRCSSSA-N 411.552 4.507 50 50 HJGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1c(O)ccc2ccccc12 1469474 WJADLRNBLJLEGZ-WPWMEQJKSA-N 411.505 4.919 50 50 HJGA C=CCOc1ccc(/C=N/NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 5676256 SFVRPRRCLOHQES-WSDLNYQXSA-N 400.887 4.892 50 50 HJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 252695127 VJGLIYQCQCELBZ-GEIXDPLRSA-N 411.380 4.903 50 50 HJGA biogenic O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1 2570735 GFJJNEYGMSQEFS-ZMOGYAJESA-N 413.260 4.977 50 50 HJGA COc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 4283081 GLJAQPWHZSSDFK-WPWMEQJKSA-N 424.456 4.832 50 50 HJGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)[nH]n1 5126200 PYKBHGPIGFCZGS-FSJBWODESA-N 417.296 4.936 50 50 HJGA C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(NC(=O)c2cc(C)on2)cc1 17091424 BQPSXMIHYYTJLH-ZVHZXABRSA-N 418.478 4.604 50 50 HJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 4209947 NBKIZKLLKQIQCW-XSAQUTRMSA-N 410.429 4.816 50 50 HJGA COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C 5028263 YPWQTMNFGNVYPH-GZTJUZNOSA-N 413.437 4.951 50 50 HJGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2 5605732 NRARXAPYHYBOAS-YDZHTSKRSA-N 404.451 4.957 50 50 HJGA O=C(N/N=C1\c2ccccc2C(=O)[C@@H]1c1ccccc1)c1ccc(Br)cc1 101065587 XVGWNGXAQDOBBW-ICBALBMBSA-N 419.278 4.563 50 50 HJGA O=C(N/N=C\C(Br)=C\c1ccccc1)c1ccc(Br)cc1 32565780 MHQCTGQDIIZWPJ-ZAESSLRESA-N 408.093 4.601 50 50 HJGA CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744172 FANKZBUVUNWLTK-KDURUIRLSA-N 423.834 4.895 50 50 HJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 1472226 GFLBAOUXRSCWGP-SFHVURJKSA-N 408.864 4.835 50 50 HJGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2902701 CFLFJMRAEHYWSX-NLRVBDNBSA-N 401.510 4.876 50 50 HJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 5353730 ZCDFBWYNSAOFMB-VULFUBBASA-N 423.476 4.792 50 50 HJGA Cc1ccsc1C(=O)N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 6861321 IAIWHQCSEIEXJX-ZVHZXABRSA-N 400.507 4.732 50 50 HJGA C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(C)C)c1 676098 DHFZHJHLWCSJMP-TURZUDJPSA-N 413.521 4.953 50 50 HJGA CCOC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br 1176756 HZYNRJMMKWVQPW-CXUHLZMHSA-N 416.271 4.507 50 50 HJGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1cc2ccccc2nc1Cl 1226789 BLJXAYKUXHAJCS-FSJBWODESA-N 406.898 4.679 50 50 HJGA C=CCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 4894728 HPWCGQOMALGPKI-FQEVSTJZSA-N 407.495 4.542 50 50 HJGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(OC)c1 4155063 HVQJSZQYWLYBGR-CXUHLZMHSA-N 408.479 4.909 50 50 HJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cc(Br)cs1 12412718 GNUJZOGHPIHXNW-MRXNPFEDSA-N 419.300 4.655 50 50 HJGA CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 257347828 VJGLIYQCQCELBZ-SJAVCUOBSA-N 411.380 4.903 50 50 HJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 729238 VAUZMUYPQBCXCI-FQEVSTJZSA-N 410.857 4.777 50 50 HJGA O=C(Nc1ccc(F)cc1)[C@@H](Br)[C@H](Br)c1ccccc1 1741269 DOXHHEOFUVDLPL-KGLIPLIRSA-N 401.073 4.664 50 50 HJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccncc2)c1 2531627 ZXEXLEKFNSFPPM-JVWAILMASA-N 409.445 4.526 50 50 HJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc(F)cc1 4259379 VROTYJGWRINBEX-JVWAILMASA-N 412.420 4.962 50 50 HJGA O=S(=O)(N/N=C(/CCCCl)c1ccc(F)cc1)c1cc(Cl)ccc1Cl 17093706 RVYGFTLXEIQRPS-QNGOZBTKSA-N 423.724 4.834 50 50 HJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)c3ccccc3n2)cc1 2759993 XMCBWOVVKKBEHQ-WGOQTCKBSA-N 411.461 4.770 50 50 HJGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccs4)[nH]n3)cc2)cc1 4980493 YEFOVSJSAMPIRR-ZVHZXABRSA-N 416.506 4.790 50 50 HJGA C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 5919295 HJIVGUPCYXNPFE-STPJHCLOSA-N 407.901 4.870 50 50 HJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2ccccc2nc1Cl 2941932 RPFRCWKDJUQWBA-LSFURLLWSA-N 408.672 4.724 50 50 HJGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)cc1 4259400 AFPBTQHXDQSZHP-AFUMVMLFSA-N 401.853 4.735 50 50 HJGA COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(C)cc1 1966986 KKRDQTDERLQZMT-PXLXIMEGSA-N 419.502 4.921 50 50 HJGA CC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Br)cc1 17093758 MFVZHRMNQMQDCG-CAPFRKAQSA-N 424.136 4.685 50 50 HJGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5125809 TYPZFWYCKSJJFE-DHRITJCHSA-N 400.869 4.746 50 50 HJGA O=C(CCl)OC[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 215975343 SOPGEFPQLVBJHN-GFEROQDTSA-N 407.335 4.620 50 50 HJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 705431 AMDOUTFTXXPRRK-QHCPKHFHSA-N 412.537 4.693 50 50 HJGA C=C(C)CSC1=C(C#N)[C@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 841873 FHVWMRCNZGDNRP-IBGZPJMESA-N 420.534 4.922 50 50 HJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 245226621 GROKGQJVNZNIGU-MHXJAFHZSA-N 401.850 4.785 50 50 HJGA CCCCCCOc1ccccc1/C=N/NC(=O)CS[C@H]1Nc2ccccc2O1 2325809624 QKFLASAXEPEEKC-GQBVICOWSA-N 413.543 4.617 50 50 HJGA C[C@H]1CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 226073713 OITUOTRRXAYPNP-LHSJRXKWSA-N 405.542 4.859 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1O 2576161 LLORGMDTGGXITE-AFUMVMLFSA-N 424.884 4.787 50 50 HJGA CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 2898465 AVLAVBKEJZXABQ-NSMHLIOHSA-N 403.320 4.882 50 50 HJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1Br 2585054 YNJOTPGQRKNOJU-OEAKJJBVSA-N 409.283 4.792 50 50 HJGA COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 19761070 OUIARJWJYUHIBB-HXOBKFHXSA-N 400.478 4.589 50 50 HJGA COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OC)n2)cc1OC 5008840 FOQLKEQFDOQVCU-MHWRWJLKSA-N 408.479 4.909 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 752396 QSMUAOAFNMKYCX-QRWLVFNGSA-N 421.294 4.658 50 50 HJGA CCCc1ccc(OCC(=O)N/N=C/c2ccccc2COc2ccccc2)cc1 5979139 HFOXNIDIKKSCBW-YZSQISJMSA-N 402.494 4.747 50 50 HJGA CC1=CC(C)(C)N(C)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 169681362 YVOVMLIVXWOQEH-OAQYLSRUSA-N 403.526 4.769 50 50 HJGA COc1ccc(C(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 5028710 KGMUDHWQSQVVQM-QQXSKIMKSA-N 410.477 4.620 50 50 HJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 714096 OMMORDGMCANSNM-JOCHJYFZSA-N 417.484 4.775 50 50 HJGA O=C(N[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)Cl)c1ccccc1 100727732 DJOKNGKNXKLPIF-SFHVURJKSA-N 418.349 4.686 50 50 HJGA CCN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)[C@H](C)CS(=O)(=O)CC 225677894 IWRJQAKOOWZITC-GOSISDBHSA-N 413.700 4.854 50 50 HJGA Cc1ccc2c(C(=O)NCc3ccc([C@H](C)NC(=O)CCl)cc3)csc2c1 1875384495 QSIMADGKPPEFLJ-AWEZNQCLSA-N 400.931 4.556 50 50 HJGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(I)c1OC 12364104 VSDFPHVXZFAYRT-QPEQYQDCSA-N 409.198 4.512 50 50 HJGA COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)cc1OC 4751368 GLKXVRDMCSQXBQ-NRFANRHFSA-N 404.466 4.655 50 50 HJGA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@@]2(C)CCC[C@@H]12)OCCO3 257349602 PFXPFFMEZISHQC-XLXYOEISSA-N 411.380 4.715 50 50 HJGA C[C@H]1C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)NC2=C1C(=O)CC(C)(C)C2 856110 SPRYZWHWQWKQPB-LBPRGKRZSA-N 400.931 4.874 50 50 HJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2543060 FUWFRYAFAOQHLZ-YZSQISJMSA-N 414.461 4.543 50 50 HJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ncccc2I)C1 169794101 OALKZIZCBSLQJA-ZDUSSCGKSA-N 418.395 4.534 50 50 HJGA in-vitro O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccco1 1244046 XNGXYBHBPGBWNQ-FSJBWODESA-N 424.913 4.573 50 50 HJGA COCO[C@H]1C[C@H]2C(CC(=O)OC)=CC[C@H]2[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]12 169833636 JDLZTTGSQRZFFX-STHVQZNPSA-N 424.654 4.921 50 50 HJGA Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)cc1 2303518 WIMJSLZIMDCQLE-PDGQHHTCSA-N 419.868 4.991 50 50 HJGA Cc1ccc2cc(/C=N/NC(=O)COc3cccc4ccccc34)c(Cl)nc2c1 5795827 XGDINJPGKLWUHS-DHRITJCHSA-N 403.869 4.879 50 50 HJGA CCCc1ccc(OCc2ccc(C(=O)NNC(=O)Nc3ccccc3C)o2)cc1 17087675 SILLSUPIDUCYGI-UHFFFAOYSA-N 407.470 4.586 50 50 HJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(F)cc1F 1775977845 XSZSNMIZPIEGOD-NRFANRHFSA-N 422.362 4.541 50 50 HJGA COc1ccc(OC)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 19770405 ZSEBQROJISCGGJ-XDHUDOTRSA-N 400.478 4.589 50 50 HJGA c1ccc(P(c2ccccc2)c2ccccc2C2=N[C@@H]3c4ccccc4C[C@@H]3O2)cc1 208743550 QOXFUKATAROLOT-AHKZPQOWSA-N 419.464 4.888 50 50 HJGA Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)s1 6846679 MMBVKLYRVFGKLH-ZVHZXABRSA-N 400.507 4.732 50 50 HJGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 4650855 SDVHMILTVXNQHZ-WPGOCYHCSA-N 415.468 4.722 50 50 HJGA CC1=C(C#N)[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C2=C(CC(C)(C)CC2=O)N1 25694842 OGMHHIOVJOBDGX-OAQYLSRUSA-N 403.438 4.982 50 50 HJGA CCCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCC)cc1 2506280 SQGDQDOXJOIFAB-HYARGMPZSA-N 419.319 4.791 50 50 HJGA CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccccc1Cl 2931679 CFBRKCGJTCBIMS-VULFUBBASA-N 423.900 4.664 50 50 HJGA CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1I 9263277 MVZLDLFYPUAVAQ-LCYFTJDESA-N 415.234 4.630 50 50 HJGA N#C/C(=C/c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nccs1 17091793 IZIQUPIZBMZLMG-WQLSENKSSA-N 419.384 4.880 50 50 HJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 8578026 UCQQKNCOQDDLSQ-JVWAILMASA-N 405.461 4.989 50 50 HJGA O=C(N/N=C/c1c[nH]nc1-c1ccc(Br)cc1)c1ccc2ccccc2c1 13321768 IKXJEKIFCAKRAX-ZMOGYAJESA-N 419.282 4.756 50 50 HJGA N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 17088681 MIYURUMLDWBBPE-RIYZIHGNSA-N 410.842 4.917 50 50 HJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1nc(O)c2ccccc2n1 16319710 NPYMQMKQASODOM-NBVRZTHBSA-N 416.444 4.647 50 50 HJGA COc1ccc(/C(C)=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 22017805 GRMLSQFFYIDWBT-MORQCWLFSA-N 414.505 4.550 50 50 HJGA O=C(N/N=C/c1cc(Cl)ccc1O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 673007 YBMNNAHBCRIUKQ-FBCYGCLPSA-N 410.238 4.586 50 50 HJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccccc1 4180894 SWEZFGJGENRFEF-OAQYLSRUSA-N 414.465 4.536 50 50 HJGA N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc([N+](=O)[O-])cc1 12392996 AGMAXSCEAMKXOG-NDENLUEZSA-N 400.390 4.936 50 50 HJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2584646 FGGBPJBAFFSCMG-AFUMVMLFSA-N 408.885 4.757 50 50 HJGA O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccccc1F 4260323 ZQNFTZKASXWNBK-JVWAILMASA-N 412.420 4.962 50 50 HJGA CC[C@@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6394145 UVYZRPAQRABNOL-OAHLLOKOSA-N 401.601 4.760 50 50 HJGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4372620 CPMPEVLCXCEYNW-VKELSTCCSA-N 418.493 4.582 50 50 HJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F 659601 CTPSPPRQWWMDJS-JLTOFOAXSA-N 410.395 4.914 50 50 HJGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(Cl)cc2Cl)CCCC1 1293558445 MKMJEJDMQUCXBK-UHFFFAOYSA-N 417.296 4.999 50 50 HJGA O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccccc1[N+](=O)[O-] 711921 QVMWOKKJGTYCII-YDZHTSKRSA-N 418.434 4.651 50 50 HJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 2568887 BXHBUJSWPQDNDQ-YDZHTSKRSA-N 409.829 4.591 50 50 HJGA