smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n[nH]2)cc1 1468771 LYTOZYGXRGJAJG-RWPZCVJISA-N 488.931 4.860 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 13239328 CLLYKSAPCHNZJF-MDRXJCHGSA-N 471.542 4.900 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc1 2355277 QDZDJPSNBSAJDM-ZVJKTPJMSA-N 473.558 4.834 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 102267191 MFKBKBBKIOIWTG-TURZUDJPSA-N 451.567 4.613 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 2566864 QGGCHHOMEHWQHY-RDRPBHBLSA-N 468.509 4.987 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584671 INMXSZMYDZDLNZ-BRJLIKDPSA-N 459.285 4.691 50 50 JJGA CCOc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 4210445 TZTVVUHDRRLGEQ-YSURURNPSA-N 494.798 4.596 50 50 JJGA COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)[nH]c2c1 9934928 PUZRBEOMCPJBFT-UNOMPAQXSA-N 468.513 4.970 50 50 JJGA N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)NCc1ccc2c(c1)OCO2 20457126 DIEZFTYYBQPQNS-GRSHGNNSSA-N 460.873 4.511 50 50 JJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccccc1Cl 2553173 OHNJNLOGAHXIKF-SWOYFSSUSA-N 458.901 4.896 50 50 JJGA CCc1c(C(=O)NNC(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)csc1C 20191677 NWLIBKZYJCJHGM-UHFFFAOYSA-N 459.618 4.765 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1 1815762 VDSHSBKXIMNCKY-CVKSISIWSA-N 477.977 4.839 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2674339 JSPVRLVCDHJPMQ-FYHAJLKWSA-N 467.319 4.586 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 8660757 XWGWZIWSLPJTKT-VWLOTQADSA-N 481.581 4.788 50 50 JJGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Br)cc1 5297149 KMNNFZPNBDYBAY-SRZZPIQSSA-N 462.145 4.756 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 1455357 FHBLIISRLDICDL-VULFUBBASA-N 475.892 4.981 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccccc2)cc1 1837210 ZTJBLABJZPMIGB-JVWAILMASA-N 475.549 4.715 50 50 JJGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)Cl)cc1 3096275 RCZMKHNHNFYIIC-OAHLLOKOSA-N 461.212 4.604 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccccc2)cc1 1299139 QVIMVPPBIYTLGQ-MFKUBSTISA-N 477.615 4.945 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc(OC)c1OC 2575858 WICVJRLPCIOJLP-VULFUBBASA-N 454.910 4.709 50 50 JJGA N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 12428880 DFGFNQURKCAVHE-OAQYLSRUSA-N 498.568 4.530 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 1113715 QJOOOCZRQKFRQI-NHCUHLMSSA-N 483.977 4.907 50 50 JJGA C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@H](C)C1 254134462 OJCKRNPLOZHAOU-VYRHLEITSA-N 489.653 4.636 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cc(Br)ccc1O 2304573 DDHIKCLVNXWTJV-AWQFTUOYSA-N 495.449 4.541 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2571713 CPBFXSUKSFKRLH-MZJWZYIUSA-N 466.921 4.714 50 50 JJGA N#C/C(=C\c1ccc(COc2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccc2c(c1)OCO2 20457165 RLSQMUHRLFIDIQ-CXUHLZMHSA-N 470.403 4.829 50 50 JJGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)s1 20572768 VIDGXPVMKBHWOY-NTUHNPAUSA-N 493.379 4.813 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2OC)cc1OC 731412 WXTKEHHEFKQWBH-STBIYBPSSA-N 484.508 4.849 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)cc1OC 4296348 OXAZSXPOBONGMU-UNIYSIPVSA-N 498.535 4.994 50 50 JJGA CCOC(=O)/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 102311077 AWEBXADOEQECFH-WEMUOSSPSA-O 480.524 4.815 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 1431125 HKFGOCOTBNQGED-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2349659 CLNXCSYIDXOYLG-CVKSISIWSA-N 477.977 4.839 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4302905 QFXCMOGBTKTFOB-DCMOEJRUSA-N 466.921 4.876 50 50 JJGA Cc1sc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 19932156 KEGXGFXUBRNWFL-XMMPIXPASA-N 495.048 4.847 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OC)cc2)cc1 2531453 PIOJJFNUZAFNPL-CVKSISIWSA-N 497.345 4.840 50 50 JJGA CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC 169747635 BVQYIDJXNYHKRK-UHFFFAOYSA-N 468.282 4.993 50 50 JJGA in-vitro C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 253534598 NINRIIHMWQEVEA-WCVBYGIDSA-N 495.454 4.550 50 50 JJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1I 2131613 NAZRSGJPHNRBNK-OEAKJJBVSA-N 456.283 4.634 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 2543171 LDHIUKKHNDMTJB-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OC)cc1 4295629 BAJNKLUISVMLIP-LQKURTRISA-N 496.947 4.886 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(OC)cc1 639177 ABAKBJKQBGMFLZ-RBUKOAKNSA-N 477.369 4.673 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OCC)cc1 4335761 JFLLZRYWKFTZSF-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA COc1cccc(/C=N/NC(=O)c2cc(O)ccc2O)c1OCc1ccc(Cl)cc1Cl 13321334 QPELOJMXOHCKKH-OPEKNORGSA-N 461.301 4.756 50 50 JJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4259688 KPJWIXVNFIPWEF-RPPGKUMJSA-N 489.746 4.988 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1F 2532286 RSBNKQGFQCBXJN-DHRITJCHSA-N 455.283 4.880 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1OC 2566509 VNCKKOKFRBPBOX-RDRPBHBLSA-N 468.509 4.769 50 50 JJGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)NC12CC3CC(CC(C3)C1)C2 15724217 OZHFBTZSKIZVMH-ZVBGSRNCSA-N 471.193 4.519 50 50 JJGA N#C/C(=C/c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 20563020 PHRSAQICADVNOO-MFOYZWKCSA-N 454.313 4.795 50 50 JJGA C/C(=N/NC(=O)c1cc2c(s1)C[C@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572675 BTSKPFXSPASMKW-VFQICSBPSA-N 467.616 4.828 50 50 JJGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(Br)c2)C(Cl)Cl)cc1 100727722 HTASUBZDWMBQBZ-HNNXBMFYSA-N 461.212 4.604 50 50 JJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 4372886 DDCQASOBQGTZSV-MTDXEUNCSA-N 460.530 4.786 50 50 JJGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 27551816 CNQLMURRNZKPKP-QKKBWIMNSA-N 477.355 4.810 50 50 JJGA NC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)P(=O)(OC(CCl)CCl)OC(CCl)CCl 107515863 PNASMFCFIHHXKE-ZDUSSCGKSA-N 498.083 4.607 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)c(Br)c1O 1148528 XNISTTDSKWVQGX-MRXNPFEDSA-N 487.741 4.529 50 50 JJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 2272897 KOTMOTXSLRKGNB-AWQFTUOYSA-N 479.996 4.634 50 50 JJGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccccc2)cc1 2330802 HOHCGQMGLRFWOJ-OGLMXYFKSA-N 470.602 4.869 50 50 JJGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 2553300 NTBFEJAMEBDZTC-NDZAJKAJSA-N 494.503 4.898 50 50 JJGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC 2078461 CAEKMJXZFZYHKY-SRZZPIQSSA-N 468.145 4.549 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 2529590 CYHGPNFXBAUFKU-AFUMVMLFSA-N 467.865 4.630 50 50 JJGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 4354739 AARVFDVYTPGFNJ-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc2ccccc12 32606226 GYKFMIPZCYUJST-YUMHPJSZSA-N 469.453 4.740 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2)cc1 2531740 OLRXRRMOVZPJCP-RDRPBHBLSA-N 468.509 4.987 50 50 JJGA CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1772491871 VIKPJRPSXXRSGV-ZCIGXKPRSA-N 458.599 4.750 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccc(C)cc2)cc1 1308742 MJWDKJSZFBKONS-KOEQRZSOSA-N 477.615 4.945 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402226 FCFIPAMJUNXYTQ-RUZDIDTESA-N 496.464 4.892 50 50 JJGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12 2553021 FOSHBBWRVSHGPM-MZJWZYIUSA-N 460.331 4.636 50 50 JJGA COc1cc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc(OC)c1OC 4258754 RTQJOCQWALYFMU-STBIYBPSSA-N 484.508 4.849 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2OC)cc1 4354546 LFYUBIFZFYQTDG-TXMABLNQSA-N 496.947 4.884 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 2531086 OPEXCSPVHCESTM-STBIYBPSSA-N 468.509 4.905 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2OC)cc1 4283566 UJUZWLNKCIZFMD-RDRPBHBLSA-N 490.556 4.795 50 50 JJGA C/C(=N\NC(=O)COc1c(C)cc(Br)cc1C)c1ccc(Br)cc1 25557885 NWGALPCDLBIPFG-FYJGNVAPSA-N 454.162 4.748 50 50 JJGA O=P(c1ccccc1)(c1ccccc1)c1ccccc1P(=O)(c1ccccc1)c1ccccc1 101234490 BZMDVLQBAQJGLI-UHFFFAOYSA-N 478.468 4.965 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC(C)=O 1476757 VFOCQHXBHISCRR-LQKURTRISA-N 469.497 4.608 50 50 JJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)o1 1207508 JDRYSMXWTTZHLO-WYMPLXKRSA-N 453.271 4.798 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4282982 VLSKYLSBBCNIML-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA Cc1cc([N+](=O)[O-])ccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12445872 BCDPXTGYUGXLSA-FQEVSTJZSA-N 479.518 4.814 50 50 JJGA COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c(C(=O)O)c1OC 2883634 SFQOCXQQMPVABS-MZJWZYIUSA-N 457.486 4.623 50 50 JJGA C/C(=N\NC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(NC(=O)C2CCC2)cc1 20159166 IIHDOQOYZIQDJC-XODNFHPESA-N 451.420 4.816 50 50 JJGA O=C(N/N=C1/CCCS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 1875255207 NPHBRIQQMVHVPF-FAJYDZGRSA-N 473.529 4.743 50 50 JJGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2544511 AJZWXEQJOJLURB-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2571715 YOMJJSGCNWJKQU-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1F 1139533 LZGHYKGTANXVCH-FQEVSTJZSA-N 499.340 4.816 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 2321285 MRWAFCRTGJWTKC-WPWMEQJKSA-N 471.586 4.884 50 50 JJGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1O 2901184 WGZMYWZGRTVRSH-NZYROCMPSA-N 457.324 4.624 50 50 JJGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2543345 KYUNYIYGNIBHRN-RDRPBHBLSA-N 481.508 4.547 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1141423 BGYKCARKRUGAPC-NRFANRHFSA-N 451.866 4.642 50 50 JJGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)c1 2532293 DXLBWKRFFMLHMA-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 4259619 LPXOWRGEVFAYQL-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA CO[C@@](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)O)c1ccccc1 100858648 NUHXCGMVWRGHDX-GDLZYMKVSA-O 455.514 4.997 50 50 JJGA CC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12)(c1ccccc1)c1ccccc1 169744746 SFTSXHOVWHRHNN-VIJSPRBVSA-N 472.657 4.958 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1OC 1057065 RXAMUFUTUDQZAW-HSZRJFAPSA-N 474.517 4.553 50 50 JJGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Br)cc2Cl)cc1 20367408 YDJKAGPPLFRINU-UHFFFAOYSA-N 458.834 4.662 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)c2)cc1 4360337 ZOZVMLPHVPAWLU-VFKGCLKRSA-N 468.509 4.985 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(COc4ccccc4)c32)ccc1-c1ccccc1 8566479 BVJYULKMBMJFKV-XMMPIXPASA-N 450.498 4.882 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3)n2-c2ccc(C)cc2)cc1 9065534 RUCUDPATRUWCOD-ZXVVBBHZSA-N 471.586 4.884 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(OC)cc1 639181 ABAKBJKQBGMFLZ-MOPGFXCFSA-N 477.369 4.673 50 50 JJGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccccc1 12376104 HZOZKAUZDODWQJ-IBGZPJMESA-N 453.571 4.510 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 22779562 CBWASHHMJQOXMG-JOCHJYFZSA-N 487.362 4.563 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccncc1 1474871 UBMIGFTVBURPOD-WPWMEQJKSA-N 476.993 4.924 50 50 JJGA CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 13611342 RHOGACKSMNYABG-FOWTUZBSSA-N 488.481 4.978 50 50 JJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)c(OC)cc1OC 102283797 LHAZFYBVYRJNDW-TURZUDJPSA-N 477.646 4.980 50 50 JJGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 1211694 LLKMQKKDNJIZMT-UHFFFAOYSA-N 459.727 4.610 50 50 JJGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1 2532158 RFLCYROCMYEUJR-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1 2543165 CJSZTWKXBJVCEU-CVKSISIWSA-N 497.345 4.927 50 50 JJGA C[C@@H](NC(=S)NNC(=O)c1cccc(COc2cccc(Br)c2)c1)c1ccccc1 2794510 OIJNJOQSQAEBMC-MRXNPFEDSA-N 484.419 4.898 50 50 JJGA CCc1cc2c3c(c1)[C@]1(C=C(c4ccc([N+](=O)[O-])cc4)OC(N)=C1C#N)C(=O)N3C(C)(C)C=C2C 1051039 SIDSDPLGVQDMPL-MHZLTWQESA-N 468.513 4.702 50 50 JJGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 1755059 NRQQXXOMXBOCKC-JVWAILMASA-N 471.586 4.802 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2)cc1 2530321 HTMHZBJRNVKAIT-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 2573549 ZXHJLGDPNNJPJP-AFUMVMLFSA-N 453.882 4.990 50 50 JJGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4372540 ULQHJSMPVISGPF-FRQJIFLKSA-N 469.335 4.651 50 50 JJGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(CC)c1 20191877 VVWIEKSRSYCUOJ-UHFFFAOYSA-N 459.618 4.847 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 730130 KHLCSVKGWYHNSY-DHRITJCHSA-N 450.951 4.686 50 50 JJGA CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)cc1 2795420 WDVMDAFUGDOYIZ-UHFFFAOYSA-N 493.482 4.852 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1OC 1775976721 PBVXPPZANXSLQZ-SANMLTNESA-N 479.492 4.689 50 50 JJGA Cn1c2ccccc2c2cc(/C=N/NC(=O)[C@]3(C)CC3(Br)Br)ccc21 2103145 WCIAJCIVTDTNOA-UJPSCDQMSA-N 463.173 4.678 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 43761012 YQQOCOPAWXTOQU-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 1474472 JEVJIVGJFAKOSF-OVVQPSECSA-N 487.585 4.589 50 50 JJGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)c(OC)c1 4303324 XMVGGQXIHOXXOH-RDRPBHBLSA-N 488.540 4.571 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 22779556 CBWASHHMJQOXMG-QFIPXVFZSA-N 487.362 4.563 50 50 JJGA O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@H]3C=C[C@@H]([C@@H]4[C@H](Br)[C@H](Br)[C@@H]43)[C@@]12Cl 254453295 YPOSEOALJLAJOD-RBYWRSLBSA-N 481.826 4.802 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F 1139853 MZRRERWRLBVHMD-OAQYLSRUSA-N 499.336 4.991 50 50 JJGA CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)ccc1O 37246216 WUCPDEOPJJEOCL-QFEZKATASA-N 452.898 4.852 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 1108946 ODXGSBLTEDUTTH-OAQYLSRUSA-N 487.325 4.812 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2542977 WIPFZTHSGUOAQQ-XODNFHPESA-N 470.356 4.761 50 50 JJGA N#C/C(=C(/O)NC(=O)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101116785 CMBNWEVDEIIBGJ-MRCUWXFGSA-O 490.734 4.718 50 50 JJGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)c1 2520274 RNZQXAOVFJNKDU-RWPZCVJISA-N 485.931 4.538 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2544406 FCRUIOXUXKPOCC-RPPGKUMJSA-N 458.301 4.770 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3O)n2-c2ccc(C)cc2)cc1 9019815 QMTSWRCMCPTATN-OVVQPSECSA-N 487.585 4.589 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@H]1c1cccnc1 19759499 QPZKLCLFGODNSC-OAQYLSRUSA-N 468.376 4.745 50 50 JJGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4260493 UZWRWJKYYDPOPI-RWPZCVJISA-N 485.931 4.538 50 50 JJGA Cc1cc([N+](=O)[O-])ccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O 12445874 BCDPXTGYUGXLSA-HXUWFJFHSA-N 479.518 4.814 50 50 JJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cc(CN3CCOCC3)cs2)C2=C1CCCC2=O 19873996 WIDHRAKLQQCCGK-DEOSSOPVSA-N 495.048 4.847 50 50 JJGA CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c21 8854869 DSXGFLQNJYRXNV-SFHVURJKSA-N 451.324 4.846 50 50 JJGA COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2726823 HFXMFQVRSDVRMJ-UHFFFAOYSA-N 490.972 4.513 50 50 JJGA CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(C(=O)NNc3ccc4ccccc4n3)cs2)C1 1875352709 AZECCKREWHWSPF-INIZCTEOSA-N 467.595 4.638 50 50 JJGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1 1230224 NMBZWZAYUOJWRS-ZMOGYAJESA-N 455.308 4.506 50 50 JJGA C=CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c(OC)c1 2544026 UQQVXYVMCHOOAP-LQKURTRISA-N 478.932 4.825 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 1468787 PYRXARRHRKHASN-VULFUBBASA-N 475.892 4.981 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Br)c3)cc2)cc1 4209417 MLGAPIMHIJBGEQ-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1Cl 1110407 CHMXIPQBEMFXFX-HXUWFJFHSA-N 457.317 4.831 50 50 JJGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccco1 2300708 SDYUQAJKHBLBRR-YDZHTSKRSA-N 482.363 4.532 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2354472 AOXNCOCZRQUGCU-AWQFTUOYSA-N 479.996 4.634 50 50 JJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc4ccccc4nc3Cl)cc2)cc1 4231779 URYSKAHKSJRDQA-CVKSISIWSA-N 478.961 4.761 50 50 JJGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2542938 MOHIKUKAXGFUDR-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2OC)cc1 4292460 YLQBHLHZTGGRDC-LQKURTRISA-N 496.947 4.886 50 50 JJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 16974923 CCDWEFGWLDHRGV-BRJLIKDPSA-N 453.333 4.950 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 4259113 LGCXXSXZFYHHLD-JVWAILMASA-N 460.486 4.577 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 4354715 UMQOEJYTDITWAD-AKBIMGJMSA-N 466.921 4.876 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1072496 RMKFIKLTBOKTDT-OAQYLSRUSA-N 453.420 4.739 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)cc1 4258803 FCUDXDZXPVVLQE-OGLMXYFKSA-N 464.493 4.753 50 50 JJGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)s1 12401683 MWPKUBVKTHSIKD-LJQANCHMSA-N 495.630 4.708 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 13677599 XVRURULUPCATMB-NWHDYCPWSA-N 490.357 4.632 50 50 JJGA COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2111168 RQNMDIDOGBOWHH-UHFFFAOYSA-N 490.972 4.513 50 50 JJGA C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 12361929 YDZPYXCUWNNAMD-PMERELPUSA-N 470.532 4.625 50 50 JJGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521089 LNKVBOXAVUHYSL-RPPGKUMJSA-N 461.276 4.881 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 13174298 QGJGQKPETYYISB-RUZDIDTESA-N 474.582 4.991 50 50 JJGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 95851138 ZPWJDCPMFUQYRG-CVKSISIWSA-N 451.511 4.600 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2566878 WMNYSJRHIPZXJM-RDRPBHBLSA-N 468.509 4.987 50 50 JJGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12416857 UVWDNDGZJHQJGP-NDEPHWFRSA-N 464.500 4.761 50 50 JJGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1 2542876 IQNONFMMGQMXIN-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA COc1cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc(OC)c1OC 2584727 YJPVFQHSJWHLNV-VULFUBBASA-N 454.910 4.709 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 4282271 IIWLTZJTGYBMHU-YZSQISJMSA-N 461.474 4.757 50 50 JJGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)ccc12 2853176 XARPKUBYGJQIFI-QGZVFWFLSA-N 473.554 4.554 50 50 JJGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4261159 GDIRPVPRDYECIS-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 13899304 OMBGVWICPBJBNJ-NLRVBDNBSA-N 457.559 4.575 50 50 JJGA COc1cccc(Cn2cc(/C=C(\C#N)C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc32)c1 20274331 SCUYCBHGZFNZOY-HAVVHWLPSA-N 495.579 4.981 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1445071 CGSUEPNDUYMLRZ-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1110370 WKMIDRUTNPEVOQ-FQEVSTJZSA-N 489.753 4.936 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1 1474968 VXNPATHHXFEJMC-JVWAILMASA-N 487.585 4.502 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2OC)cc1 4347436 OAUHIXCVLGBJIF-CVKSISIWSA-N 497.345 4.840 50 50 JJGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C(=O)O)s3)c3ccccc3n2)c(OC)c1 20158764 QPAAOHWCXBCFPD-MZJWZYIUSA-N 475.526 4.833 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 2532166 SFHNFJIRXMRKJO-WKULSOCRSA-N 489.890 4.940 50 50 JJGA Cn1cc(C(=O)N/N=C\c2ccc(COc3ccccc3Br)o2)c2ccccc21 20568805 SEMKRBACWHRUEH-MSXFZWOLSA-N 452.308 4.877 50 50 JJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@@H](Br)[C@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 253498089 GEVAMMLEIGNEOT-KMHVRENYSA-N 455.433 4.654 50 50 JJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc3ccccc32)cc1 1455471 ZJXOJRRHNJPLJM-AFUMVMLFSA-N 459.531 4.544 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 2543223 MPCTXPWDTXTOGN-LQKURTRISA-N 478.932 4.825 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 4261351 BZPLCPZVQZYCBV-VULFUBBASA-N 497.345 4.514 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 2273076 JYLNAYGPMKWVCZ-VULFUBBASA-N 491.960 4.528 50 50 JJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1 4283144 UMZNDQMFTLGJEA-ORBAKXMTSA-N 487.737 4.505 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 1783196 ZYVJJWFTZJFKKK-YWQNRBPGSA-N 469.570 4.850 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 4372668 ZDKMYJOJHUKOPI-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 5402760 NDIZDOMOITZJBQ-YZSQISJMSA-N 459.531 4.625 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2531073 DCSCVYQHOOQVDN-STBIYBPSSA-N 468.509 4.905 50 50 JJGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2571709 BZUJADWLCZXLSN-BRJLIKDPSA-N 488.283 4.650 50 50 JJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2581523 XBPMMWLKPGLXNX-CVKSISIWSA-N 479.945 4.764 50 50 JJGA O=C(COc1ccc(I)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 2901868 PJJMLFZCWQBSCT-OEAKJJBVSA-N 472.282 4.613 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1 4355627 GFSVNPDPMWUHSL-VUTHCHCSSA-N 487.556 4.736 50 50 JJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Br)c1)c1cc(O)cc(O)c1 13321907 WTOMTIRROCIDCL-BHGWPJFGSA-N 475.726 4.857 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)ccc1O 1109172 RBNVQJJEALABQS-NRFANRHFSA-N 484.325 4.607 50 50 JJGA COc1cc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc(OC)c1OC 2530488 PFRXSNYZWHOPKI-VULFUBBASA-N 454.910 4.709 50 50 JJGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2542810 OZHNQQAPRKPFAQ-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1O 2703071 HSZOATYGJUGJQW-VULFUBBASA-N 493.976 4.544 50 50 JJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Br)cc(Br)c1O 2825923 WNWQFWCSLVRBBA-KPSZGOFPSA-N 466.944 4.988 50 50 JJGA CCCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)c(OCCC)c1 2952286 OYCWPZXWQZBDBT-HYARGMPZSA-N 466.319 4.633 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3Br)cc2)cc1 4210007 CAWMEBGLFUXWIB-CIRUFVMISA-N 481.346 4.894 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccnc1 1241632 OGJBETUNDVAMFF-ZXVVBBHZSA-N 456.575 4.579 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)cc1 4229846 SZCFFTBUPUQHCS-ZVHZXABRSA-N 484.293 4.583 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2Cl)cc1 2521999 OTEKJOULHJEHSA-JFLMPSFJSA-N 460.921 4.730 50 50 JJGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2518556 ZNIFFNHRVHNXQF-LGJNPRDNSA-N 472.328 4.670 50 50 JJGA O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2ccccn2)o1 16545989 KVCXEEWJWQMSRM-SSDVNMTOSA-N 462.394 4.972 50 50 JJGA CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 1775965038 RQLYERBTTKYZDC-JOCHJYFZSA-N 478.863 4.842 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 648534 RCOULUOOFSVZCE-JOCHJYFZSA-N 481.346 4.851 50 50 JJGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 4360068 ZAMQAXAHMVFQAN-FDAWAROLSA-N 495.583 4.517 50 50 JJGA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=NNC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 252320802 TYDIZZPWBSYUAN-HFJWLAOPSA-N 477.586 4.702 50 50 JJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cc1 707190 DSTGRWJEOFPCIX-JOCHJYFZSA-N 481.369 4.959 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OC)cc1 2520090 VOVGENBMCNAFLW-OGLMXYFKSA-N 464.493 4.996 50 50 JJGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 8405014 LZUUGCOLINBEHE-QHCPKHFHSA-N 458.518 4.934 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1O 13382290 BIMDMIRSOGXODY-WGOQTCKBSA-N 477.977 4.926 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 2855788 UZGACXKNVWEDMY-FQEVSTJZSA-N 497.667 4.875 50 50 JJGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4326839 IPLKTBHBTUSPDD-BRJLIKDPSA-N 488.283 4.650 50 50 JJGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CI)CC[C@@]43C)[C@H]1CCC2=O 254290613 MLUAUWXRNXTGCU-LKTQXZJLSA-N 456.364 4.865 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2cccc(Br)c2)nc2ccccc12 2103159 PBIZVZSALKGSCY-FSJBWODESA-N 465.263 4.929 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2518484 SEYNRFMTEFOAKR-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 102283838 CTDZLMRBNLXRDG-TURZUDJPSA-N 477.646 4.980 50 50 JJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Br)[C@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 253498090 GEVAMMLEIGNEOT-WUMQDGGRSA-N 455.433 4.654 50 50 JJGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)OCO3 1140025 FDDLUTCVWJTAER-QHCPKHFHSA-N 477.860 4.774 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccc(Cl)cc2)cc1 1247600 KUVFGWZWYSBDSJ-VULFUBBASA-N 462.966 4.534 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccc(C)cc2)cc1 1868032 QJRYFPBCXPRSQM-JFLMPSFJSA-N 475.549 4.633 50 50 JJGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1O 2901182 WGZMYWZGRTVRSH-BBMHEYIBSA-N 457.324 4.624 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 1474420 LQKDMAMGWTZGKZ-OVVQPSECSA-N 487.585 4.671 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)c1 4303162 XFLUISUZVMFUAV-CIRUFVMISA-N 481.346 4.894 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 13205446 LSWUTDAYBRLAAZ-VULFUBBASA-N 464.978 4.989 50 50 JJGA COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)c1 9210749 IINNRHPFNVAWHY-DEOSSOPVSA-N 480.524 4.891 50 50 JJGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 19800575 FBTGWBNHZGWBKD-JXAWBTAJSA-N 458.905 4.944 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2576217 LAXOQHVJSNVMCH-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(NNc1ccnc2cc(Cl)ccc12)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5734061 DVKNXIXAETYDAF-UUYOSTAYSA-N 486.915 4.531 50 50 JJGA C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@H](C)C1 254134454 OJCKRNPLOZHAOU-NOIBOHHTSA-N 489.653 4.636 50 50 JJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2c(=O)[nH]1 9972259 ZBNYESHNEMLGGD-RGEXLXHISA-N 473.492 4.611 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 1777118 OGGMRNUJIWHJAK-WPWMEQJKSA-N 487.585 4.584 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccc(Br)c1 2521162 GYOBLTGPRCMCKI-DHRITJCHSA-N 471.282 4.580 50 50 JJGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccco1 2836641 QXGNAZKSTUXCTO-DEOSSOPVSA-N 499.592 4.726 50 50 JJGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1sc2ccccc2c1Cl 2860615 WRCMRCANYWDTJS-UHFFFAOYSA-N 467.772 4.774 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1I 4372872 SXAHBBXEIYHLJY-OEAKJJBVSA-N 456.283 4.634 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 13239323 FBBNUSRMIQIOSE-JFLMPSFJSA-N 474.586 4.653 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)/C=C/c1ccccc1 2542444 WYJRDVZVVHVASJ-OQUGPSRRSA-N 479.330 4.840 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 4261228 RRNIMXYCNOMVGM-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 4282443 NGVNGQSOPNHGPU-LQKURTRISA-N 468.513 4.821 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1440722 IAXGQIJADQVXAV-JTSKRJEESA-N 452.480 4.676 50 50 JJGA ICCN(CCI)c1cccc2ccccc12 4774297 NRMKVXUCGDLRRF-UHFFFAOYSA-N 451.089 4.516 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1 2345909 FGTXQUKLEWHZKD-CVKSISIWSA-N 477.977 4.839 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 13239601 RKSHCKKFHUFYDA-DHRITJCHSA-N 450.951 4.686 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)/C=C/c1ccccc1 2521229 KUBQTTBPEOSXKA-DLVCOAMMSA-N 479.330 4.840 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2 2529651 QUBRRHDLQVRRQZ-OPEKNORGSA-N 457.269 4.705 50 50 JJGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4335769 ASTIMLHIGANNLU-FRQJIFLKSA-N 453.882 4.745 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1O 6304338 RJGUOIGBJAYDOG-DEOSSOPVSA-N 486.597 4.908 50 50 JJGA CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]21C 257355998 FBRAWBYQGRLCEK-ULFMRNCGSA-N 478.988 4.701 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2C)cc1OC 4330645 DJFWBYAEVSKMKH-VULFUBBASA-N 497.345 4.758 50 50 JJGA CCOC(=O)c1c(NC(C)=O)sc2c(OCCBr)c(Br)ccc12 9193881 MEULYTMHTIYARI-UHFFFAOYSA-N 465.163 4.573 50 50 JJGA COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2OC)cc1 648562 CBEBLAMGJZZFOP-DEOSSOPVSA-N 460.530 4.734 50 50 JJGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 43190752 PYBKFEHIBOYWHE-CVKSISIWSA-N 481.346 4.760 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccc(Cl)cc2)cc1 2341904 KWYKKKSQNRYLDN-VULFUBBASA-N 477.977 4.844 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 2675370 DBBLMVPEYJCQAB-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA O=C(OCCSSCCOC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 1875389933 QTUSWJNRRLOVAI-UHFFFAOYSA-N 484.464 4.615 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 2553036 JXMHRWWUOVQRBV-VPMSBXQOSA-N 463.493 4.547 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(F)cc1 2838394 HWWLBVPJLMSIGH-RUZDIDTESA-N 460.461 4.750 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 4260355 IABBASGLKJMUGR-CVKSISIWSA-N 496.361 4.516 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] 102850797 MNHXQANWUKZBTH-AQTBWJFISA-N 490.479 4.757 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 1469329 BZJNRXJISJKTHI-VULFUBBASA-N 475.892 4.981 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccccc2)cc1OC 2553509 NTQPOOOLBGWMEO-RDRPBHBLSA-N 468.509 4.769 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4260368 SDRSJSYEDWYBGF-OGLMXYFKSA-N 492.963 4.860 50 50 JJGA NC(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)P(=O)(OC(CCl)CCl)OC(CCl)CCl 107515867 PNASMFCFIHHXKE-CYBMUJFWSA-N 498.083 4.607 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1O 2841038 XDKJGVLCNWBJLA-GOSISDBHSA-N 487.741 4.529 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 8456175 VRISDGPBHFACNX-KBMIEXCESA-N 463.497 4.688 50 50 JJGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC1CCCCC1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 12250200 FVVPOGXDSZWBMJ-QHCPKHFHSA-N 494.617 4.842 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccc([N+](=O)[O-])cc1 2752518 IUWLXXODHDOEGX-ZMOGYAJESA-N 484.306 4.709 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 705502 FTJQRZCJXHJPBF-OAQYLSRUSA-N 450.336 4.762 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccccc3F)ccc2[C@H]1c1c(F)cccc1Cl 1775976800 QDJKEJAJAVQFPE-HXUWFJFHSA-N 474.872 4.604 50 50 JJGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2543705 BTTIFXLVLKNGFL-TVBLMPAISA-N 493.519 4.556 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 2597261 MVLBBLYINBYCKU-VULFUBBASA-N 454.910 4.709 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1 4210123 QAMTYBZUDPYUFN-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nc2ccccc2s1 8437664 OVXFCQGQHRSVMD-FQEVSTJZSA-N 461.572 4.847 50 50 JJGA CCOc1ccc2nc(-c3ccc(NC(=O)NNc4nc(O)cc(CC)n4)cc3)sc2c1 1875351341 SOESMRIBEQJVSE-UHFFFAOYSA-N 450.524 4.569 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc1 3186608 SHFDXOFWYYCZOF-VULFUBBASA-N 469.538 4.624 50 50 JJGA CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 100283670 MMODFQXCVPYXGX-VWLOTQADSA-N 471.582 4.999 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4231374 MXROLXRVRKZPQT-OGLMXYFKSA-N 491.979 4.527 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 8462669 KHNYZKXGOKFJTC-BUVRLJJBSA-N 464.551 4.601 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)ccc1OC(=O)c1ccco1 718372 XSYHQCCOQMAXBK-UPCLLVRISA-N 486.480 4.699 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br 752463 NFZMOMLPGKJHCC-BTYIYWSLSA-N 451.320 4.666 50 50 JJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 2521228 ATEJAZKJWOCIMU-OBFPQIRLSA-N 458.514 4.867 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1OC 1775976716 PBVXPPZANXSLQZ-AREMUKBSSA-N 479.492 4.689 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(OC)cc1 2352483 MTWQZJXWZPCLDK-MFKUBSTISA-N 451.596 4.514 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 1064877 SSBRPIIBBIGPPB-DEOSSOPVSA-N 488.544 4.861 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)s3)C3=C2CCCC3=O)cc1 1109610 UBOFPQOVEQECBS-IBGZPJMESA-N 456.365 4.824 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1O 100614545 JMVQLCSYDQIKNI-WGOQTCKBSA-N 477.977 4.926 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br 752461 NFZMOMLPGKJHCC-VFNWGFHPSA-N 451.320 4.666 50 50 JJGA COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2)c(Cl)c(Br)c1O 1131054 OHMNTNAGTIOSPP-INIZCTEOSA-N 487.741 4.529 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 2542978 QMOVNDFAKDCBDQ-OGLMXYFKSA-N 460.530 4.957 50 50 JJGA N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cncn2)cs1 12375402 ROVZOLFZMWZQII-NRFANRHFSA-N 496.518 4.711 50 50 JJGA N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 20522981 ICRNCUBYWOOKJO-OEAKJJBVSA-N 462.509 4.550 50 50 JJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)c(OC(=O)c2ccccc2)c1)c1ccccc1 2529636 FGSOBCZFMHVXKN-RDRPBHBLSA-N 480.476 4.595 50 50 JJGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 33646025 ICNIBQNMSZJXDY-SLQPCKNISA-O 454.550 4.705 50 50 JJGA Cc1nc(COc2ccc(/C=N/NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)no1 1875256130 WTKYYQVZRBAJMA-VULFUBBASA-N 469.526 4.998 50 50 JJGA CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 2907724 JTFMGWCZRPAOHG-AFUMVMLFSA-N 492.384 4.702 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 25504613 HAYHHJIXJQWBLF-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4331116 BBBGBQHJGOGMHT-GBCYJOOSSA-N 468.509 4.641 50 50 JJGA C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 12343147 CQLNVQCCEVUCKL-WPWMEQJKSA-N 483.565 4.999 50 50 JJGA C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCSSCCC(=O)O)c1ccccc1 1875388828 RTTKHBDTUJBHQU-QFIPXVFZSA-N 460.646 4.769 50 50 JJGA COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br 2952269 OARGYAOFLHAORN-FOKLQQMPSA-N 492.167 4.903 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2OCC)cc1 4331085 LOOMLHZDXICJQJ-LQKURTRISA-N 496.947 4.886 50 50 JJGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 20158772 RUGRCDWARVOMEH-OKCVXOCRSA-N 466.497 4.743 50 50 JJGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(Br)c2)C(Cl)Cl)cc1 100727724 HTASUBZDWMBQBZ-OAHLLOKOSA-N 461.212 4.604 50 50 JJGA O=C1OC(=O)[C@H]2CC3=C(CC4=C(CC5=C(C4)CC4=C(C5)CC5=C(C4)C[C@H]4C(=O)OC(=O)[C@@H]4C5)C3)C[C@H]12 101082863 CPWLEKQRKPIKRA-YOXCBORPSA-N 484.548 4.864 50 50 JJGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1902130 GJIOMHMVZGXITI-LPYMAVHISA-N 458.634 4.862 50 50 JJGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 17136218 NGJKBJFWMCMNIE-CFRMEGHHSA-N 485.294 4.665 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530579 QEXFVPOSBUDWEE-KKMKTNMSSA-N 491.302 4.889 50 50 JJGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc2c1CCCC2 4209290 WQFCPGJGDFMFRR-CCVNUDIWSA-N 492.988 4.820 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 2584994 WPGCUUJLVQCDTM-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 648533 RCOULUOOFSVZCE-QFIPXVFZSA-N 481.346 4.851 50 50 JJGA COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 20228562 YSZIROAHXWDZIG-VCHYOVAHSA-N 490.899 4.520 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1 2543119 YLNQSJAXBUVKGP-RDRPBHBLSA-N 468.509 4.987 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2)cc1 2519949 WAPLSTGOGLTUOK-MTDXEUNCSA-N 454.530 4.857 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 2855787 UZGACXKNVWEDMY-HXUWFJFHSA-N 497.667 4.875 50 50 JJGA COc1ccc2c(c1OC)[C@H](Br)CCC(Br)(Br)C2=O 3053524 MJUQVXUAECCTNH-MRVPVSSYSA-N 456.956 4.602 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 8411415 KNULJHHUNWNIOG-VWLOTQADSA-N 499.571 4.927 50 50 JJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 32593024 BOMFUELRCSFNFG-WGARJPEWSA-N 466.335 4.539 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 8456176 VRISDGPBHFACNX-UQBPGWFLSA-N 463.497 4.688 50 50 JJGA COc1ccccc1NCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1202400 RFEDTYDSOCENJP-VULFUBBASA-N 468.351 4.599 50 50 JJGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2566860 YNEJTAVXXZLRSF-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)cc1 4282335 OIOVCZCBOFLXNO-MFKUBSTISA-N 451.320 4.670 50 50 JJGA C[Si](C)(O[Si](C)(c1ccccc1)c1ccccc1)O[Si](C)(c1ccccc1)c1ccccc1 169876560 YFCVAZGXPLMNDG-UHFFFAOYSA-N 484.820 4.501 50 50 JJGA in-vitro COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 783429 SDZXZFVUTSMJIZ-XMMPIXPASA-N 459.546 4.653 50 50 JJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1cc(O)ccc1O 13321354 SHHJJDMYRYRLEJ-BHGWPJFGSA-N 475.726 4.857 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 4282087 CDFWIQYIVMHDCM-LQKURTRISA-N 490.512 4.586 50 50 JJGA O=C(NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)c1c[nH]c2ccccc12 726155834 DCNLNDXLNFFVMJ-XZZVZQAVSA-N 480.568 4.556 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 4347446 WQEPFESWBPFMPL-CVKSISIWSA-N 452.894 4.730 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531947 DJMLUOMJZDYFLL-STBIYBPSSA-N 468.509 4.905 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1 2820901 JFEOOCQATYJUAX-SRZZPIQSSA-N 469.177 4.527 50 50 JJGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccccc1 2340676 RSRBZPNMUUCKPJ-MFKUBSTISA-N 492.402 4.939 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 690953 XNNVKHAXSFQCIR-NYHFZMIOSA-N 453.373 4.964 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2543132 ZYBWNRWVQZGINV-JVWAILMASA-N 493.357 4.926 50 50 JJGA CCc1ccc(NC(=S)NNC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cc1 2796208 SZWKTSCUJHHWDI-UHFFFAOYSA-N 486.439 4.505 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4260776 UQEJRQRRDAQAIP-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2335655 FAGMWHNINQMIEY-JVWAILMASA-N 491.020 4.896 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1OC 2337934 XFZLIWDPHGAPLH-LSHDLFTRSA-N 495.051 4.743 50 50 JJGA C[C@H]1CCC[C@]2(O)[C@@H](O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]12C 169832110 FZHQEJHMVNBBEO-IRBRIBRISA-N 452.711 4.644 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531448 SWKQQIOOUXREQM-UXHLAJHPSA-N 495.535 4.855 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2569221 VGGBBCBRHNJSRU-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4261330 KENRKUHEAXVOMP-RPPGKUMJSA-N 489.746 4.988 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccccc2)cc1 8916592 OSDTXNBMTOINFL-LFVJCYFKSA-N 463.588 4.637 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402315 RAIBXQCHJBVWAO-IBGZPJMESA-N 465.491 4.505 50 50 JJGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1c2ccccc2cc2ccccc12 95849997 KSIDNFPRLZSWSL-UXHLAJHPSA-N 471.004 4.914 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccccc2)cc1 1799908 WZBZWUQPSWGOGL-JVWAILMASA-N 475.549 4.715 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 2518573 TWTQGQNEYAFPEK-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2520351 KJCABMFZYIWJSW-JFLMPSFJSA-N 457.921 4.590 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 4259300 QCWSZPFUCZPOOY-ZVHZXABRSA-N 484.293 4.583 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713548 KDQMQDRWTJOWAO-JOCHJYFZSA-N 465.937 4.671 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1056560 PBGLSJFTUHQLEC-FQEVSTJZSA-N 465.307 4.662 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 718553 UOKWMAVPJWGZAH-KRWDZBQOSA-N 477.297 4.587 50 50 JJGA C[C@@H](NC(=S)NNC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 2794634 IMMPSARUPKPXRI-MRXNPFEDSA-N 484.419 4.898 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 4282047 ULFVBBXQQQFVKT-DPCSMWEWSA-N 494.301 4.740 50 50 JJGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 1109030 KAQWNDYSAWKCFM-DEOSSOPVSA-N 458.562 4.820 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2506366 IRUJDXDEUZIWTG-STBIYBPSSA-N 468.509 4.905 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2542651 YKAAOHDMUOUNKJ-MUFRIFMGSA-N 469.472 4.595 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1 4283545 OGWAKTABZWRTCV-AFUMVMLFSA-N 453.336 4.866 50 50 JJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 6284252 YBKYHVWIYLMQRF-OAQYLSRUSA-N 450.520 4.532 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 220954487 YZCJCDQYXMUTCJ-RTBURBONSA-N 461.370 4.973 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OCc1ccccc1 4366258 AJSFZXLJVUFHRC-ZVHZXABRSA-N 486.309 4.643 50 50 JJGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 20158368 LQBBIKRBUJRDRW-ZMOGYAJESA-N 456.911 4.645 50 50 JJGA CCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 252490211 KMBRVKVTFWJUMR-HKWRFOASSA-N 458.470 4.846 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1056562 PBGLSJFTUHQLEC-HXUWFJFHSA-N 465.307 4.662 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccc(C)cc2)cc1 1242988 ZHWJPWXFKKSTCL-AFUMVMLFSA-N 477.615 4.864 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518708 MAJLWRMQCDLEFX-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)Cl)cc1 3096276 RCZMKHNHNFYIIC-HNNXBMFYSA-N 461.212 4.604 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)cc1 4282967 LHGUPEXCPRJPIR-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccncc1 1259851 YVAQDIMRTLRBSR-ZXVVBBHZSA-N 456.575 4.579 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccc(C)cc1 9296311 GSPUQEICGPTYBU-NRFANRHFSA-N 481.350 4.595 50 50 JJGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 2531212 JMHDDXWRFHCPSX-NDZAJKAJSA-N 494.503 4.654 50 50 JJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(O)c(Br)cc1Br 3136659 DRCPMABIEWCKKI-CGOBSMCZSA-N 496.970 4.753 50 50 JJGA CCOc1ccc(/C=C2\CN(CC)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 19898849 XUJXQAZCYLFDEY-OLCSVKTNSA-N 457.574 4.965 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 1760202 NMPGGLDPKXNTLT-WPWMEQJKSA-N 487.585 4.584 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 2530316 SJKUXZXAVZKTBS-LQKURTRISA-N 499.479 4.505 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 15799339 IPMLVLALJSWMRR-ICDFHATASA-N 461.562 4.705 50 50 JJGA Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 1125244 CRASDWGSDXBGHB-MUUNZHRXSA-N 493.954 4.753 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 2518581 XDMZILCWVIQIJE-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2F)c1 20159127 KPJUAGHJTNOCST-VULFUBBASA-N 454.299 4.995 50 50 JJGA Cc1cc(/C=C(\C#N)C(=O)Nc2[nH]c3ccc(S(C)(=O)=O)cc3[s+]2)c(C)n1-c1ccc(O)cc1 334158589 WVQYOLRLAFAMLR-GZTJUZNOSA-O 493.590 4.573 50 50 JJGA COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 1118943 XLOWOEPXPJFGDL-GOSISDBHSA-N 493.629 4.815 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1 20255590 HWTSOEJGRMDABW-HXUWFJFHSA-N 491.491 4.929 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220954420 YZCJCDQYXMUTCJ-RBUKOAKNSA-N 461.370 4.973 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc(Cn2cncn2)cs1 12402307 XVWGJONPUOEATO-JOCHJYFZSA-N 491.020 4.982 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428565 ONOFPGQEMMABGM-GOSISDBHSA-N 471.882 4.523 50 50 JJGA N#C/C(=C\c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccccn1 20530192 NTMVNGFFCVZFRA-KGENOOAVSA-N 498.384 4.979 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccc(O)c1 1477416 CVSDOEDCDDEICH-DHRITJCHSA-N 450.951 4.686 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cc(Br)ccc1F 2266050 HDRNQMSNAZMJKN-ZVBGSRNCSA-N 497.440 4.974 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543268 KVTUQNFDJWIMRZ-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1Cl 2364869 QKXPUMMTORXKDZ-QFIPXVFZSA-N 464.905 4.798 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230147 YKNLPZPXXUMUQU-TURZUDJPSA-N 485.565 4.830 50 50 JJGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 19833609 HSHISLNMJRNDND-RWPZCVJISA-N 499.987 4.773 50 50 JJGA COC(=O)/C(NC(=O)c1ccccc1)=C(\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100296707 DPSPWRUQMOESBX-UHFFFAOYSA-O 498.564 4.682 50 50 JJGA C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccccc1 252428032 OMQAVHNDFJYOMB-QGZVFWFLSA-N 469.014 4.751 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@H]2c1ccsc1 706067 UBRMJXBCUQQXPX-GOSISDBHSA-N 455.381 4.846 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 1145056 JVVSPJGWVFTIDS-NRFANRHFSA-N 469.310 4.982 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 1840938 PAZSWBSFGDQZNE-UFFVCSGVSA-N 465.025 4.735 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccccc2)cc1 2318503 FFBXMIFXSGPRMV-MZJWZYIUSA-N 495.967 4.978 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cc(C)c(Cl)c(C)c1 9110406 NNFQAWQBFIWOSQ-OAQYLSRUSA-N 450.926 4.794 50 50 JJGA COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)c1 9210750 IINNRHPFNVAWHY-XMMPIXPASA-N 480.524 4.891 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 1000006 YPTNYPPRBRAMPD-HXUWFJFHSA-N 454.408 4.918 50 50 JJGA COc1ccc(OC)c(-c2cc(C(=O)NNC(=O)Nc3cccc(C)c3)c3ccccc3n2)c1 2843610 BAJBOOCONCQROZ-UHFFFAOYSA-N 456.502 4.694 50 50 JJGA O=C(CCl)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nc2ccccc2s1 1875386195 KYOYMQZZWCPEAQ-QUCCMNQESA-N 456.011 4.505 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 1247402 ZXYPIKRWPDZPSD-VQTJNVASSA-N 469.950 4.598 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 1468889 IBPKIJSGERTRHE-VULFUBBASA-N 475.892 4.981 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 8817011 DRVJVEBASPOUGQ-HXUWFJFHSA-N 493.639 4.911 50 50 JJGA CCCc1n[nH]c2c1[C@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2 622920 WTYYVHZVZOYOKO-HXUWFJFHSA-N 468.916 4.960 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 4360297 PNKOKJJVFQJFOF-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1OCc1ccccc1 5297643 ANMHQYUEZHHUPF-LQKURTRISA-N 452.514 4.527 50 50 JJGA CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31C(C#N)=C(N)Oc2cc(O)ccc21 8828781 KHRFTABMPUFAOC-VMPREFPWSA-N 463.537 4.599 50 50 JJGA CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2867194 WIDDYDRFOOZCMU-GOSISDBHSA-N 461.587 4.582 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4230320 FWWZXHJZDDJIOR-RDRPBHBLSA-N 481.508 4.547 50 50 JJGA CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 32577088 PAWLMWHWDWLKLL-DHDCSXOGSA-N 473.323 4.563 50 50 JJGA COC(=O)c1cccc(NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c1 1875320783 KYPOYBULPHTXKI-UHFFFAOYSA-N 469.497 4.672 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 4335785 RVSIFWYWOUOEOF-OGLMXYFKSA-N 493.947 4.827 50 50 JJGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c2ccccc21 12416861 CEJNRDKJTPZQJO-MUUNZHRXSA-N 491.507 4.530 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc(O)cc(O)c1 13321728 LMZKXNAVCHPBGR-BHGWPJFGSA-N 475.726 4.857 50 50 JJGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 2199527 JHSHNTUJBZPRMC-JVWAILMASA-N 487.585 4.589 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)cc1OC 2531106 CJFOWDDXQGXLTR-ZTLXJKOPSA-N 498.535 4.994 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OCC)cc1 4335598 JBUDAUHCGRTIGK-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/C3=CC[C@H]4C[C@H]3C4(C)C)cc2)cc1 252445376 FFRHNPGTOHNCDO-GHWACSJHSA-N 465.619 4.524 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2OC)cc1 2530324 JYMLAAPVFJDFFY-STBIYBPSSA-N 484.508 4.605 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 8442717 OIJCTUUCTXLNFB-HSZRJFAPSA-N 474.517 4.553 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 8809648 IYFQTAQPVOBIHS-SFHVURJKSA-N 471.336 4.724 50 50 JJGA CCc1c(C)sc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1C(=O)OC 2856731 NMRIRLZGPYHMJT-MSOLQXFVSA-N 473.664 4.824 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4354849 YLSQTDYHRGQCNB-JVWAILMASA-N 493.357 4.926 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1O 15746034 RZINPNOZQAZGKE-KPKJPENVSA-N 466.129 4.862 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 783428 SDZXZFVUTSMJIZ-DEOSSOPVSA-N 459.546 4.653 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc2c1CCCCC2 20168493 MKDRNVMEZJPCON-UHFFFAOYSA-N 451.639 4.503 50 50 JJGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccccc1C(F)(F)F 20494874 YSUJPXUSBHORAR-UHFFFAOYSA-N 451.898 4.749 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1072494 RMKFIKLTBOKTDT-NRFANRHFSA-N 453.420 4.739 50 50 JJGA O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccn(Cc2ccc(Cl)cc2)n1 1207898 RFMFFQQHSHUMAP-BHGWPJFGSA-N 456.731 4.593 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12 2543312 SYAWQBIXZBXPMA-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 1821093 FBFLFBYVQRGHDK-WPWMEQJKSA-N 471.586 4.884 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 4296239 BMXAJGOLVPNSFF-HJQAXPCSSA-N 478.932 4.885 50 50 JJGA O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1 8754419 CDNDPVFBXNZAQB-VFJHFUSOSA-N 463.537 4.998 50 50 JJGA C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccccc1 252428031 OMQAVHNDFJYOMB-KRWDZBQOSA-N 469.014 4.751 50 50 JJGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521851 LVZUZMHNHUVZDF-LGJNPRDNSA-N 481.883 4.924 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C2CCCCC2)cc1 2531145 JQHZTLNNMICUMH-ZVHZXABRSA-N 459.340 4.707 50 50 JJGA Cc1cc(OCc2cccc(C(=O)NNC(=S)Nc3cccc(C)c3C)c2)ccc1[N+](=O)[O-] 2795629 BKJLZNAWOMRPCH-UHFFFAOYSA-N 464.547 4.730 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 4261169 MQLFLKUYRKAPSE-NMKFMISUSA-N 479.330 4.840 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 4283312 TYATUTNNGQGMCB-JOBSNELWSA-N 483.908 4.753 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2nc3ccccc3s2)cs1 12402631 AEUWEDLHUOEVEW-SFHVURJKSA-N 455.586 4.905 50 50 JJGA CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OC 12393056 FAYRHAKSUMBRJD-QPEQYQDCSA-N 475.286 4.648 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccc(O)cc1 16134042 VBWAPKPMVWDRSP-JOCHJYFZSA-N 498.402 4.812 50 50 JJGA COc1cc(Cl)c(C)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 2696741 ZKYYTOCNGFFQGM-AWEZNQCLSA-N 459.930 4.507 50 50 JJGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 13477644 MGCZRWJELOXYCI-LJQANCHMSA-N 474.358 4.536 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282548 XWVNHLLEOYMYAK-NXYZXBHKSA-N 485.309 4.725 50 50 JJGA CO[C@]1(NC2CCCCC2)N(C2CCCCC2)C(F)(F)[C@@]1(C(=O)OCCCl)C(F)(F)F 22342496 IXBVWOVWKUVOEB-YLJYHZDGSA-N 476.914 4.781 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 4282282 MJFVQUXCTRGJCW-JVWAILMASA-N 466.921 4.877 50 50 JJGA C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 12342870 NDIZDOMOITZJBQ-ONUIUJJFSA-N 459.531 4.625 50 50 JJGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 25580765 NYJAMNHOPBHPOT-ZVHZXABRSA-N 480.937 4.950 50 50 JJGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(OC)cc1 2506264 SYORUTRJUFPNQX-CVKSISIWSA-N 497.345 4.840 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2)cc1 2543980 GPNRRJNLNMICPL-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2OC)cc1 4283399 AFQOHVCWGCTSNH-CVKSISIWSA-N 497.345 4.840 50 50 JJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N(CCCl)CCCl)cc1 102296877 ZHZUXWZLHMVDBW-YDZHTSKRSA-N 467.447 4.823 50 50 JJGA CN(C)C(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102103521 JIEIBVSVORUMCF-BYYHNAKLSA-N 494.531 4.888 50 50 JJGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)nc2c1 9934915 UDRVGVQQXWSOCW-ODLFYWEKSA-N 455.470 4.921 50 50 JJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccccc1Cl 731319 CKVZJEGGFCYGHC-HMHIXTCJSA-N 487.737 4.505 50 50 JJGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 2519966 GSPHEYKBAODLKG-RWPZCVJISA-N 471.948 4.898 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4303168 FRTQTJFAMIXVGG-OKCVXOCRSA-N 471.944 4.952 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)cc1OC 4347234 CJFOWDDXQGXLTR-UNIYSIPVSA-N 498.535 4.994 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 4354287 SJKUKZSTQISXTC-LQKURTRISA-N 471.900 4.801 50 50 JJGA CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 25725904 CSKDQVBRIWZGLL-JPRZGNOKSA-N 456.364 4.865 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2518720 ZHRFQROBFCPVRQ-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2575865 JQMZTSQTNPPGOE-MZJWZYIUSA-N 456.901 4.986 50 50 JJGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2Cl)n[nH]1 5353325 QEVYSSMMSSXULI-ODCIPOBUSA-N 498.562 4.725 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1OC 43190644 VGWDKXFTFWBWRM-VULFUBBASA-N 497.345 4.758 50 50 JJGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 2347213 GIUNKSQMKWKHEP-JVWAILMASA-N 487.585 4.589 50 50 JJGA N#CSc1ccc2nc(NC(=O)[C@@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)sc2c1 3106412 BJPRFNQXRVHFFV-CQSZACIVSA-N 485.805 4.977 50 50 JJGA C/C(=N\NC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1 20159524 AUYJAZBYPQGIKO-VULFUBBASA-N 479.334 4.940 50 50 JJGA Cc1ccc([C@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CC(C)(C)C3)o1 1113539 QEZYFKBVGGYSOU-JOCHJYFZSA-N 453.608 4.835 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 2530477 JNYWGVDNKBNDJS-CVKSISIWSA-N 497.345 4.596 50 50 JJGA O=C1OC(=O)[C@@H]2CC3=C(CC4=C(CC5=C(C4)CC4=C(C5)CC5=C(C4)C[C@H]4C(=O)OC(=O)[C@@H]4C5)C3)C[C@H]12 101082864 CPWLEKQRKPIKRA-POTDNYQPSA-N 484.548 4.864 50 50 JJGA COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 8567401 OEFHAMOXLSPAOQ-HSZRJFAPSA-N 450.498 4.882 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1OC 1251700 RFSBVQIDEJPYGZ-JFLMPSFJSA-N 474.586 4.653 50 50 JJGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccco1 20136715 BFRIHGBQKRUYGQ-QHCPKHFHSA-N 491.613 4.858 50 50 JJGA Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3cc4cc(Oc5ccccc5)ccc4[nH]3)cc2)n1 334162962 JVPVTTDOLGWFSW-UHFFFAOYSA-N 465.513 4.838 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1OC 1057063 RXAMUFUTUDQZAW-QHCPKHFHSA-N 474.517 4.553 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2544158 MIDAJCGLSXSQJJ-UXHLAJHPSA-N 495.535 4.855 50 50 JJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259316 HWJUKNFQDCBWOZ-VUTHCHCSSA-N 484.556 4.630 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 4261017 ZBOZJCDRIOAKMU-DHRITJCHSA-N 486.753 4.770 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OC)cc1 4282955 FHFDFKIGTLRUIR-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 1775976623 ODQGWGIEAHEPDD-NRFANRHFSA-N 470.909 4.773 50 50 JJGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2532056 GFUOHFILPQJGGR-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2338455 HYOJEIAOXDIFTB-WPWMEQJKSA-N 471.586 4.884 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1 2675380 PQSYSNVXUQCOPL-LQKURTRISA-N 460.530 4.875 50 50 JJGA C=CCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC=C 4527873 JXNYAXGGKNKFMY-VFIVCBTMSA-N 490.604 4.757 50 50 JJGA COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 32511896 OAYBQXDQEKKELX-MXAYSNPKSA-N 450.336 4.742 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 102294959 UUPUXYGGQCCWIF-VUTHCHCSSA-N 481.593 4.621 50 50 JJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 1050934 ZIHLWYLAJLXAPR-ZMOGYAJESA-N 451.939 4.732 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 2581506 ZWZCDARSOUCSEB-LGJNPRDNSA-N 452.894 4.810 50 50 JJGA CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccncc1)[C@H]2Br 169616148 XDVXLFQAMFXYPI-LKTVYLICSA-N 481.026 4.706 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 1825182 MGZZZBVJIQXEGK-CVKSISIWSA-N 477.977 4.839 50 50 JJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 1830448 HSOMWDUXCORUSZ-AWQFTUOYSA-N 479.996 4.634 50 50 JJGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 2520370 XYSJZEAECHQWGO-RDRPBHBLSA-N 480.524 4.580 50 50 JJGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 4259206 WAOQFBLYIRYZSM-WCMJOSRZSA-N 469.516 4.746 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 1253295 BUZUXBGRNHBIGK-JVWAILMASA-N 487.585 4.502 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 2544371 VPYVLHJZBPNGGX-MFKUBSTISA-N 467.319 4.831 50 50 JJGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)ccc12 2853177 XARPKUBYGJQIFI-KRWDZBQOSA-N 473.554 4.554 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4230251 ZVWSVJHEFHQULX-WGOQTCKBSA-N 479.330 4.997 50 50 JJGA CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OC 13590122 FKZOTZMDCJKPRE-OQLLNIDSSA-N 464.323 4.560 50 50 JJGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(Br)cc1Cl 20418657 OSWMLIDFOCKJDX-UHFFFAOYSA-N 458.834 4.662 50 50 JJGA COc1cc(/C=N\NC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1O 37246224 NYCBCRNPGGNQMM-WKIKZPBSSA-N 472.423 4.828 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 2532213 MZKBPJAFHIHNTI-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(C)cc1 2597714 VRWOBBYNEPTOQJ-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1OC 43761087 RZQIZGBRVDHSDC-VULFUBBASA-N 454.910 4.709 50 50 JJGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584824 SPEMHBGHJOPSJN-VULFUBBASA-N 457.313 4.914 50 50 JJGA COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1Cl 1172077 CLPOFONOYNJWQY-JOCHJYFZSA-N 483.977 4.589 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)c2)cc1 4360338 ZOZVMLPHVPAWLU-YPKLGXIKSA-N 468.509 4.985 50 50 JJGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 9968527 IOZGWUQDUDSHAQ-NRFANRHFSA-N 453.951 4.581 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 13943416 FXZAXUIIDDUUGF-ZXVVBBHZSA-N 471.586 4.884 50 50 JJGA CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 230556190 KTDBNIKEOXTJKG-UHFFFAOYSA-N 452.462 4.763 50 50 JJGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)OCO3 1140027 FDDLUTCVWJTAER-HSZRJFAPSA-N 477.860 4.774 50 50 JJGA O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)Nc1cccc(C(F)(F)F)c1 2854516 ZVENAEAKXJSBRL-UHFFFAOYSA-N 456.635 4.897 50 50 JJGA C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 1875319567 IDUNUODSGUGUBA-UHFFFAOYSA-N 494.551 4.801 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 2553225 KVUKNXCIZZGGTH-MFKUBSTISA-N 467.319 4.831 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4261243 GCKPFUOOWLTTGC-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc(OC)c3)n2-c2ccccc2)cc1 9730797 PPILEPCLHNYMBG-OVVQPSECSA-N 487.585 4.584 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 4303061 LVRICDADTAREQQ-LQKURTRISA-N 495.963 4.805 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)cc1 4259475 UYGIDXWAIAZBAS-VFKGCLKRSA-N 468.509 4.985 50 50 JJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC 102266502 MXBAAMRHUYKKPB-PCLIKHOPSA-N 468.436 4.945 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4282414 YAGUPJWLDVELQB-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1OCC 8996124 TYZVYTGMVLZRCK-DHIUTWEWSA-N 493.585 4.734 50 50 JJGA N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12375405 YXSJTPYWULGTHP-GOSISDBHSA-N 460.437 4.980 50 50 JJGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 1122072 ZVMFAQXGPDHPNH-UHFFFAOYSA-N 460.515 4.525 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1440723 IAXGQIJADQVXAV-HTAPYJJXSA-N 452.480 4.676 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1Cl 2518474 ZDVAGFWOMFKRNA-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 6645309 ORXDHFRLJLDTBE-MOSHPQCFSA-N 458.470 4.527 50 50 JJGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1746502 UAZAQTCARYPPBG-IPHYAWPPSA-N 469.570 4.850 50 50 JJGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OCC 2506267 BUYZWPOLATZWOT-WSDLNYQXSA-N 482.172 4.939 50 50 JJGA COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCCOCCOc1ccc(C)cc1 32624018 USZQFMWHDLPSTR-VEILYXNESA-N 482.964 4.895 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccc(C)cc2)cc1 1308366 NARBBQPFFSEYTQ-ZVHZXABRSA-N 463.588 4.555 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1Cl 2390662 SHUZONWVMFWHBK-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 4230100 OXYRBRVCZBVDBN-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1c(F)cccc1Cl 2331097 HAXXYLRGBAKBIG-ZVBGSRNCSA-N 452.989 4.865 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2570304 GDOFUPDUWBSUND-FQEVSTJZSA-N 454.408 4.918 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)c(OC)c1 12402321 YPGUXTXAGZSWJO-NRFANRHFSA-N 480.546 4.614 50 50 JJGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 19800573 TXMBUYMROYEJQC-VKAVYKQESA-N 458.905 4.944 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 25504395 YGAYHSSWJKZPNV-LQKURTRISA-N 476.529 4.576 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(O)cc1 8741416 OOFDDYOKBHPMRA-WGOQTCKBSA-N 477.977 4.926 50 50 JJGA O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cn2cc(Br)cn2)o1 32573557 GJNDTLGCHJUFON-ROTLSHHCSA-N 479.334 4.630 50 50 JJGA O=C(N/N=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1cc(O)cc(O)c1 13322029 YMMWNPCNRPTLFL-KVSWJAHQSA-N 453.420 4.884 50 50 JJGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4347358 BJEVHQHFVYNAPT-FRQJIFLKSA-N 453.882 4.745 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)cc1 9015158 DJRMLBZIHHHUQC-RWPZCVJISA-N 488.931 4.860 50 50 JJGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CC(C)(C)C2 680105 NDOQZXFNQGCZEX-NRFANRHFSA-N 480.410 4.740 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 716012 GHSDDKARGJJAQY-QHCPKHFHSA-N 475.501 4.633 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1OC 2542535 QKSOTDSJSNOWEV-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA CN(C)c1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 8756571 WWBRCYGPMKYDJN-VFIVCBTMSA-N 492.668 4.540 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1Cl 8995159 LQQQACJPDLKLCA-OAHLLOKOSA-N 476.783 4.813 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4259817 WXBDYIIZDYMZOK-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4283300 YRUMNSYJOMDSBX-RDRPBHBLSA-N 465.509 4.710 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccccc2)cc1OC 9113778 HTNXYYOPCQBYGO-PCLIKHOPSA-N 493.614 4.646 50 50 JJGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1C 20168678 OWRSOLIOICSPQQ-UHFFFAOYSA-N 459.618 4.902 50 50 JJGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)ccc1O 9015007 HRKNKUIPXCYDTN-WPWMEQJKSA-N 456.502 4.524 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1110371 WKMIDRUTNPEVOQ-HXUWFJFHSA-N 489.753 4.936 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccccc1O 2543961 FXDIIVLCMHJABI-WYMPLXKRSA-N 473.710 4.791 50 50 JJGA O=C(Cn1c(=O)sc2ccccc21)O[C@H](CCl)CSc1nc2ccccc2s1 17729256 KPAYOBMKKLKJKR-GFCCVEGCSA-N 450.994 4.616 50 50 JJGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 1050679 DDNSVPNGSLSHFH-YSURURNPSA-N 461.374 4.522 50 50 JJGA O=C(COc1ccccc1Br)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209791 RMIAGNHLWCODMA-DHRITJCHSA-N 487.737 4.851 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 8969845 LLDKLBQUKNKEAA-WOJBJXKFSA-N 469.950 4.598 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 25504575 RPNXRMRXMAKFQW-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2)c2ccccc2)cc1 2381419 PQHKXSOICTYGQD-OUTSHDOLSA-N 453.506 4.983 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 4283350 QZMKBVFXAFONLJ-SSGLAOATSA-N 496.947 4.884 50 50 JJGA C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 2353873 QGHQGSGHHHWWOI-OGLMXYFKSA-N 483.597 4.919 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402319 KPIDHXJQPFECQE-IBGZPJMESA-N 456.474 4.875 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)cc1 4210108 JERGKVMHDHIPFG-CIRUFVMISA-N 481.346 4.894 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210908 TVCPXRDARWMHTC-DHRITJCHSA-N 487.737 4.851 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)cc1OC 2544396 QCTLUEGPVNEQBW-MUFRIFMGSA-N 472.472 4.979 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 4327513 RIAYJMGVVQLXFX-WPWMEQJKSA-N 491.500 4.765 50 50 JJGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 12428757 UAWOYVICXLWTQP-LJQANCHMSA-N 471.561 4.650 50 50 JJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 43190620 PBVCIIOJHHNILQ-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2531666 SNODUPCVPXIMIP-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)cc1 4210109 JERGKVMHDHIPFG-AEIQVQRHSA-N 481.346 4.894 50 50 JJGA CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31C(C#N)=C(N)Oc2cc(O)ccc21 8828783 KHRFTABMPUFAOC-URLMMPGGSA-N 463.537 4.599 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)c(Br)c1O 1148530 XNISTTDSKWVQGX-INIZCTEOSA-N 487.741 4.529 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1Cl 4260326 JKCGVJQBDFXYTD-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCC)cc3)cc2OC)cc1 4347119 BQESWRMHSLFBJP-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1cccc(OC(=O)c2ccco2)c1 16183111 RZCSUQFIEBMEAI-LJQANCHMSA-N 458.861 4.760 50 50 JJGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 100731179 LGQOJDNERDDBQC-MFKUBSTISA-N 470.367 4.814 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 2530505 GORMTDABDNWHMP-DCMOEJRUSA-N 466.921 4.876 50 50 JJGA CCCc1n[nH]c2c1[C@@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 20586378 JLBCSHNKBISGKA-FQEVSTJZSA-N 495.377 4.930 50 50 JJGA COc1ccc(OCc2cc(/C=N/NC(=O)c3cccc(Br)c3)ccc2OC)cc1 2761259 GTIKGRZQZFPOBI-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402243 KHWCILFXLROBTH-SANMLTNESA-N 492.501 4.777 50 50 JJGA COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 16676169 HHFDHAZWQQCASV-NTUHNPAUSA-N 499.166 4.924 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)ccc1OC(=O)c1ccco1 718370 XSYHQCCOQMAXBK-VOIUYBSRSA-N 486.480 4.699 50 50 JJGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 4229708 IDHJFYBAXUJKNN-BRJLIKDPSA-N 497.374 4.610 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)c2)cc1 4360324 PKSYDJYUXSDXIG-WBILBPDKSA-N 497.345 4.595 50 50 JJGA COc1ccccc1NC(=S)NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 20357291 AUHVDCHPDSURAR-UHFFFAOYSA-N 453.564 4.930 50 50 JJGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 1247401 ZXYPIKRWPDZPSD-UXHICEINSA-N 469.950 4.598 50 50 JJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 2359137 ZJIHBWCMPRPBND-ZMOGYAJESA-N 494.671 4.875 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 2531502 ONLGXEVDDGNHSV-VULFUBBASA-N 481.346 4.814 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1141806 HIJVYYRFYAEMFK-OAQYLSRUSA-N 481.892 4.651 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCC)cc2OCC)cc1 4355597 FRRBOIKFBZUAQV-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(O)cc1 9113713 CHMGXJLYQLYYRM-SLEBQGDGSA-N 471.586 4.971 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccc(Cl)cc2)cc1 2340847 DTCIXXMOZANJEN-VULFUBBASA-N 477.977 4.844 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 4354913 CXDLKDYSVNDPSX-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccnc1 13899079 NVPUHJKIBFOPJL-WGOQTCKBSA-N 462.966 4.615 50 50 JJGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)NC(C)=C1C(=O)OC 20255697 ANUMXGNRZWHMCA-VWLOTQADSA-N 491.613 4.943 50 50 JJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccc(C)cc2)cc1 1763850 GLGYOEJVDZYQKY-JFLMPSFJSA-N 459.550 4.933 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 4230266 VRLRCYWXDUGSFH-WPWMEQJKSA-N 491.500 4.522 50 50 JJGA C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(Br)cc1 12343152 XIOAFAWOEZGBAF-UDWIEESQSA-N 456.203 4.985 50 50 JJGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O3)c(OCC)c1 8846386 QGNOLOZAHQRCJR-HSZRJFAPSA-N 490.560 4.890 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1cccc(F)c1 1234610 GJKRDUHHCDXMCT-UVHMKAGCSA-N 470.884 4.544 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 2321304 RDSGQUIPYXMYLA-FOKLQQMPSA-N 464.378 4.523 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4302904 QFXCMOGBTKTFOB-AKBIMGJMSA-N 466.921 4.876 50 50 JJGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4snnc4C)cc3)sc2c1 19800640 NYSWBWBCDJNGPH-AUEPDCJTSA-N 486.962 4.706 50 50 JJGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc(CN2CCOCC2)cs1 19874234 QAGRJTDLZJKHQU-QHCPKHFHSA-N 481.021 4.538 50 50 JJGA O=C(NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)NC1CCCCC1 667530 QTTYXQSPDFDFNC-UHFFFAOYSA-N 467.367 4.941 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccccc2)cc1 2342189 GOMPUVIEYGQAMT-CVKSISIWSA-N 477.977 4.839 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 2391621 VAILDQARMONMHC-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402341 DJSQPOPHERIPPE-IBGZPJMESA-N 465.491 4.505 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccc(OC)cc2)cc1 1242483 HJNOJXNNHJTBNH-AFUMVMLFSA-N 493.614 4.564 50 50 JJGA CC/C(=N\NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1)c1ccc(O)cc1 13942183 GBNGPXOLWNMERI-SLEBQGDGSA-N 487.585 4.671 50 50 JJGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1csc(CC)c1 20191875 BDVQIGZLLXWSJD-UHFFFAOYSA-N 473.645 4.771 50 50 JJGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc32)cc1 1775975172 FRCWYJCAAIOESE-HSZRJFAPSA-N 464.568 4.703 50 50 JJGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)ccc1O 13239287 HQZMRAHRACAPJA-JFLMPSFJSA-N 474.586 4.740 50 50 JJGA CO[C@@]1(NC2CCCCC2)N(C2CCCCC2)C(F)(F)[C@]1(C(=O)OCCCl)C(F)(F)F 34132839 IXBVWOVWKUVOEB-PXNSSMCTSA-N 476.914 4.781 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OC)cc1 4258744 MEZGGDXKTACOGN-OGLMXYFKSA-N 464.493 4.996 50 50 JJGA O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 71788082 DPQKQTHUEOUIMN-DEOSSOPVSA-N 458.470 4.914 50 50 JJGA in-vitro CC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2544210 AVSRXRINSKEFSU-HQLLRBKMSA-N 453.951 4.960 50 50 JJGA Cc1ccc(-c2cc(C(=O)NNC(=S)NCc3ccc(Cl)cc3)c3ccccc3n2)o1 2853244 JQKHNILZOLJENA-UHFFFAOYSA-N 450.951 4.766 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)c1 2518552 IKFNSVJPARVZIL-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4347357 BJEVHQHFVYNAPT-MMDHUZEPSA-N 453.882 4.745 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1cccc(Br)c1 649482 YOZXSTAUIQPRRN-QFIPXVFZSA-N 481.346 4.851 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 1468981 LNPRQQLAZIHOTQ-VULFUBBASA-N 475.892 4.981 50 50 JJGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1 2544437 HMQJUIKKGXUUIS-JFLMPSFJSA-N 465.937 4.715 50 50 JJGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccco1 2836642 QXGNAZKSTUXCTO-XMMPIXPASA-N 499.592 4.726 50 50 JJGA Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 2898386 GXILSPSIJROIHD-AFUMVMLFSA-N 476.385 4.647 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)c2)cc1 4360303 NQYOWMPUUCIFED-YPKLGXIKSA-N 468.509 4.985 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 2389056 QLJNOBQSQZLOPN-MZJWZYIUSA-N 484.936 4.717 50 50 JJGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2520314 ZZNBXGKOZZXWDO-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)c1 2531597 HNIBSSTXBSQIGF-DHRITJCHSA-N 455.283 4.880 50 50 JJGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1O 8431274 REEHCPJCDAQSBH-JFLMPSFJSA-N 474.586 4.740 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 1055746 SZMDTOJGXZVAGK-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1O 2311781 OJFYAWSIQNXUAA-LSHDLFTRSA-N 495.051 4.831 50 50 JJGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 2506332 FAZNVCIDSWQPBB-WGOQTCKBSA-N 479.330 4.997 50 50 JJGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 2520257 KSKCEUVCDSOIRN-MUFRIFMGSA-N 455.489 4.955 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cccc(C(F)(F)F)c1 2776555 LJIPMJJMZJPPLP-HXUWFJFHSA-N 456.424 4.543 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 2543862 QKJUMFZHOSDPNJ-CVKSISIWSA-N 497.345 4.840 50 50 JJGA Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 1125246 CRASDWGSDXBGHB-NDEPHWFRSA-N 493.954 4.753 50 50 JJGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377290 PGSLHZQKNSMAEV-HHHXNRCGSA-N 450.473 4.737 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1cccnc1 714756 FUZHYJHPPCAXMF-JOCHJYFZSA-N 455.587 4.834 50 50 JJGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1O 1474680 VSYAWMFKMQHYKY-JFLMPSFJSA-N 487.585 4.508 50 50 JJGA O=C(N/N=C/c1ccccc1Br)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521845 WIJAVKDIBJXHLN-YDZHTSKRSA-N 492.782 4.667 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 4261285 CAZIXGSGTOVRPJ-JVWAILMASA-N 466.921 4.877 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 4347465 OJUQJRMKIBVBKV-STBIYBPSSA-N 490.556 4.966 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 20551269 ZFKVWWBOYUHFJR-ALDSOSFCSA-N 457.486 4.967 50 50 JJGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C(C)=O)cc4)ccc32)cc1 1857799975 RRYHHYKHCJBWKM-DEOSSOPVSA-N 492.578 4.597 50 50 JJGA COc1cc(OC)c(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1Br 1878522 FLVWXUARGFVTDN-BJRSOBTISA-N 479.374 4.923 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 2789803 NLROMQZIZIBLRS-QHCPKHFHSA-N 450.498 4.775 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2542778 WGJYVAXZKUTGSD-JVWAILMASA-N 464.905 4.897 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2584845 COQKXWKACOANCF-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4229982 FXHZYHBXXTYDGU-ZDXYVKDXSA-N 494.301 4.740 50 50 JJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@@H](Br)[C@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 253498088 GEVAMMLEIGNEOT-FNYUDLEJSA-N 455.433 4.654 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 2391598 KPJRINJKVDJKFG-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 2544181 QUELWXUWPDNGDA-RDRPBHBLSA-N 481.508 4.547 50 50 JJGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1cn(C)c2ccccc12 1121562 QAEIHLPAWHTSAM-UHFFFAOYSA-N 478.599 4.715 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccc(OC)cc1 2329614 SBJMDXHDKUBAMM-FOKLQQMPSA-N 464.378 4.523 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 2542623 WBMHVYMXWKWVLN-RWPZCVJISA-N 452.466 4.860 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)ccc1O 9374750 ZGGJNCPGCLZJNC-LQKURTRISA-N 470.529 4.832 50 50 JJGA O=C(OCc1ccccc1)[C@@H](Br)CC[C@@H](Br)C(=O)OCc1ccccc1 101172312 GFAVESHHJVRFEP-HDICACEKSA-N 484.184 4.780 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2543716 FYAJHRYLFBJIOZ-UXHLAJHPSA-N 495.535 4.719 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 1199790 ONMBESYAWKWAMN-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2O)cc1 2544532 OSKOHUYRFZUGTK-LQKURTRISA-N 470.481 4.633 50 50 JJGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 17136208 RPHRMELWFKATII-JFLMPSFJSA-N 468.326 4.923 50 50 JJGA CC(=NNC(=O)CSc1nnc(-c2ccccc2Cl)n1C)c1ccc(Br)cc1 253470498 GERINRLDSKHPGY-UHFFFAOYSA-N 478.803 4.531 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1OC 1056579 HKBVQVRWSRAACQ-JOCHJYFZSA-N 480.362 4.771 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC 2584720 IXEZIAOYJHDMNT-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 3117058 HZXVXACWCFNNRD-DHRITJCHSA-N 487.737 4.851 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)cc1 4302711 XFOSLPGATUZIDF-MTDXEUNCSA-N 458.514 4.562 50 50 JJGA O=C(N[C@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 5023307 LQPKVCBYFUURJM-JOCHJYFZSA-N 466.515 4.729 50 50 JJGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c1 674337 JPRYRKCABNAASD-QFIPXVFZSA-N 498.352 4.910 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)ccc1O 867871 WTPSCKJAWWAZPT-JVWAILMASA-N 456.502 4.524 50 50 JJGA C=C([C@H](CI)COCc1ccc(OC)cc1)[Sn](C)(C)C 169831846 ZKTZJSRLBQNBIE-LOSFGHDGSA-N 494.989 4.697 50 50 JJGA C[C@H](NS(=O)(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 1875323227 BTQDMRAHZYZUIB-IUVQAAGXSA-N 485.635 4.548 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1F 16736649 CFDAAAWDIYACJH-AQTBWJFISA-N 463.472 4.988 50 50 JJGA N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 20533889 VCXVDNPYPXWVPK-CNEDASOKSA-N 453.464 4.911 50 50 JJGA CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)ccc1O 9324704 WFQSLJKIFHXSCC-MRXNPFEDSA-N 491.491 4.520 50 50 JJGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)OC(C)C)N1 16512318 JJCWCJCFNREOTN-QHCPKHFHSA-N 465.575 4.916 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccn1 1813437 ATASRXZUEKPBJZ-LGJNPRDNSA-N 483.384 4.879 50 50 JJGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCCc4ccccc4)cc3)n[nH]2)cc1 9108792 HWADLPFFTHKJGH-TURZUDJPSA-N 453.546 4.528 50 50 JJGA c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1 97949709 VUABUZUQEPVFEY-UHFFFAOYSA-N 491.551 4.798 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 102295167 GYRPETJOGGIPMO-VUTHCHCSSA-N 465.594 4.921 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 1145029 SZROCEFMLBQNKD-JOCHJYFZSA-N 481.346 4.851 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 2543005 ASTHTEVJVNMTEL-FDAWAROLSA-N 495.583 4.517 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2576164 HINDDQOLBYGSQO-AFUMVMLFSA-N 453.882 4.990 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 2340031 MRXXDQOIPDGHSN-WPWMEQJKSA-N 471.586 4.883 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 2542761 PQWPFMYOTHUGLJ-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 4335700 YUPKTJFICJGCJC-BDADAALASA-N 470.525 4.572 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 2320045 DYSATZMXVJCICY-MFKUBSTISA-N 492.402 4.939 50 50 JJGA CC1(C)CC(NC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1O 101687773 MUJPIPJEIWERBK-UHFFFAOYSA-O 475.593 4.508 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 1902207 TYOLKCVUKFPQGY-WPWMEQJKSA-N 471.586 4.884 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2518555 LKQLNBQJYGPBKJ-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccco1 20136711 BFRIHGBQKRUYGQ-HSZRJFAPSA-N 491.613 4.858 50 50 JJGA O=C(NN(Cc1ccccc1)Cc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 25575841 VKSNARDKGZVDEI-MUUNZHRXSA-N 489.575 4.628 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 4326996 UJKAQIRKXFWOEN-HEOQCTJZSA-N 483.908 4.753 50 50 JJGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 43761043 FNXYQTXJUMEYEY-VULFUBBASA-N 454.910 4.709 50 50 JJGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 826692116 ICNIBQNMSZJXDY-WEWMWRJBSA-O 454.550 4.705 50 50 JJGA Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)NC3=C2C(=O)CCC3)o1 2371647 ZGKGQNLZCHGCAB-MYYSRTQBSA-N 459.571 4.728 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2518504 XKKFHJIBBBQFHP-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4230136 QLDAFBOPCZEFHP-VTNSRFBWSA-N 491.526 4.712 50 50 JJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 4283143 UMZNDQMFTLGJEA-HMHIXTCJSA-N 487.737 4.505 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2675368 CCYGEFXPOYFGBV-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 25782989 JJDYVYZPKHGMOU-DEOSSOPVSA-N 484.581 4.922 50 50 JJGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(OC(=O)c2cccs2)c1 1209384 HEMVUNIAPJZFIB-FOKLQQMPSA-N 493.766 4.912 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 2531373 USCXWVZUUHGBSX-STBIYBPSSA-N 465.509 4.765 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccs1 4282754 TXNFXSNTFUSADA-OBRGUKLBSA-N 455.333 4.893 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 2531085 WAPFUCXTCWUZFW-LQKURTRISA-N 483.480 4.805 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 9331046 CXYUUWMMANKFNT-RPWUZVMVSA-N 491.613 4.537 50 50 JJGA Cc1ccc(NCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 2996166 QUFJJRYXHHEURW-SSDVNMTOSA-N 469.177 4.568 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 25781865 WNQJSMSXORFWRW-HXUWFJFHSA-N 454.408 4.918 50 50 JJGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCCC2 714780 KHAHKRPZBMGOGC-QFIPXVFZSA-N 488.613 4.893 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1C(=O)O 2293526 JSIJYXBVPSFTOQ-VULFUBBASA-N 491.960 4.528 50 50 JJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Cl)c3Cl)cc2)cc1 4231815 WRWAVSFVMIHQJK-ZMOGYAJESA-N 462.358 4.867 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(O)cc2O)cc1 43761026 YNOIFDSUNUXISB-JVWAILMASA-N 456.502 4.503 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 1144464 YBWHVSBKXLXSMZ-HSZRJFAPSA-N 482.005 4.649 50 50 JJGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 20228552 BQAQRSXLDZTQGB-LFIBNONCSA-N 496.928 4.962 50 50 JJGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 2520337 ZHRHCZVNCJMNEG-MZJWZYIUSA-N 499.354 4.733 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1 4261179 UPQNNKUCYMCQNB-VZBWSNPVSA-N 493.357 4.905 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc2cccnc12 2928524 YUVFEKYBTHSRLB-OGLMXYFKSA-N 464.554 4.725 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4259406 VCYKFZRWDJOCRZ-YPKLGXIKSA-N 468.509 4.985 50 50 JJGA CCO[C@@H](CCl)/[S@](=N\S(=O)(=O)c1ccccc1)c1ccccc1Br 4577357 GZLMKSUBVPSCTB-MWTRTKDXSA-N 450.807 4.600 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 8971713 CGZHROLJLBXUJA-INIZCTEOSA-N 476.783 4.813 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccc(C)cc2)cc1 9271754 JUIKRLRHFNPZDI-MUFRIFMGSA-N 496.596 4.975 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1cccc(Br)c1 649483 YOZXSTAUIQPRRN-JOCHJYFZSA-N 481.346 4.851 50 50 JJGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C1n1cccc1 12462352 XBGQDOPNSFSHRW-MUUNZHRXSA-N 491.507 4.814 50 50 JJGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 16513679 KRQHVFMCPNCUCQ-UHFFFAOYSA-N 471.314 4.751 50 50 JJGA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 16672029 GIRUMGXADFMVKL-HRFNUEPQSA-N 468.340 4.923 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)c1 2325809444 ILQIKZAFRRXKKM-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2543275 AYWOYYNTAROEFI-MZJWZYIUSA-N 484.339 4.864 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2OCC)cc1 4355279 YYMQGNCUIYUEHK-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@@H]1c1ccco1 19759309 XPEOGYXMSUZVFE-HXUWFJFHSA-N 457.349 4.943 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 2506498 SMTUCKXDQZNVIC-LQKURTRISA-N 478.932 4.825 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 2531511 HMTICLCLVFHYFP-MFKUBSTISA-N 467.319 4.831 50 50 JJGA CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)ccc1O 9324703 WFQSLJKIFHXSCC-INIZCTEOSA-N 491.491 4.520 50 50 JJGA N#CC1=C(n2cccc2)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377304 CUFGAPCKLOIQKJ-HHHXNRCGSA-N 450.473 4.737 50 50 JJGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 13477641 MGCZRWJELOXYCI-IBGZPJMESA-N 474.358 4.536 50 50 JJGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc32)cc1 1775975174 FRCWYJCAAIOESE-QHCPKHFHSA-N 464.568 4.703 50 50 JJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)cc(Br)c1O 2821232 SAAVMMDLAMPMJK-ZVBGSRNCSA-N 464.113 4.540 50 50 JJGA N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 12428881 DFGFNQURKCAVHE-NRFANRHFSA-N 498.568 4.530 50 50 JJGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)[nH]n2)c1O 16995255 LSXUYSAGICWRTI-MZJWZYIUSA-N 476.920 4.787 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 25782252 ZAWMWLAASOSFDX-MTDXEUNCSA-N 474.513 4.642 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1cccc(Br)c1 2521662 NUUVHJNQZRHLGV-DHRITJCHSA-N 471.282 4.580 50 50 JJGA COc1cccc(/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1OC 16671830 YGSHUCMKEGYTDO-OVCLIPMQSA-N 461.455 4.906 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccc(Br)c1 1435210 FHRHGMHEYHIQEZ-VULFUBBASA-N 497.345 4.514 50 50 JJGA COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 13896397 APZQOLAEIZTXMA-NLRVBDNBSA-N 457.559 4.575 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2OC)cc1 43761113 PTYNMVZXJQHIHV-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 102294805 YWRJMFLUKMMHBP-VUTHCHCSSA-N 465.594 4.921 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 2194016 IYMCPIPRPBACIX-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 2531803 LODUCAZPEXMVAH-VULFUBBASA-N 485.309 4.970 50 50 JJGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1 2543776 UJUPGBSJBMQSTA-WKULSOCRSA-N 479.964 4.506 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2)cc1OC 2553634 OVMGGPBIELMNDZ-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA COc1cc(C(=O)N/N=C\c2ccc(OC)c(COc3ccc(Br)cc3)c2)ccc1O 32577828 ZVFOWQFDPUHFOC-MXAYSNPKSA-N 485.334 4.515 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccccc2)cc1 1835712 SXYBXJWRLLXSPP-AUCIKJGDSA-N 473.558 4.834 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)c1 2543055 RHEXFJFXJYZCFN-ZVHZXABRSA-N 484.293 4.583 50 50 JJGA Cc1cc(Br)c2c(c1)/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)N2 15018538 HITPQSMXELEDDJ-UHFFFAOYSA-N 491.556 4.569 50 50 JJGA O=C(CCl)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nc2ccccc2s1 1875386193 KYOYMQZZWCPEAQ-AZUAARDMSA-N 456.011 4.505 50 50 JJGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1 32603921 HGRKUYCFTMKOJK-VYYCAZPPSA-N 496.361 4.548 50 50 JJGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2572848 XINLDCYXOUUAHL-VULFUBBASA-N 457.313 4.914 50 50 JJGA Cc1sc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 19932153 KEGXGFXUBRNWFL-DEOSSOPVSA-N 495.048 4.847 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 1209750 OLVOAEVHANZTPJ-ZMOGYAJESA-N 465.307 4.667 50 50 JJGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 2073462 UNIMLAGMLBWBLB-JVWAILMASA-N 487.585 4.589 50 50 JJGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 2520354 CKGGTOUBRFMEKI-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1C 20168676 NOURGUFIAQTSGP-UHFFFAOYSA-N 473.645 4.825 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(Br)c1O 20175513 PAIWMFOQEHLKSE-NTUHNPAUSA-N 479.352 4.726 50 50 JJGA COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(OC)c1OC 43761111 PQKHISOLNYRXDJ-VULFUBBASA-N 454.910 4.709 50 50 JJGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Cl)cc2Cl)o1 1118740 QRHAFFGARZPBOU-UHFFFAOYSA-N 480.329 4.526 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 1903293 SJUIEZKRVJMWBA-LSHDLFTRSA-N 495.051 4.743 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2391533 DYJIRMLQWQYRCL-LXDNYNHRSA-N 482.323 4.701 50 50 JJGA O=C(COc1ccc(F)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2553662 PXZZEUFZBZQSLV-RPPGKUMJSA-N 461.276 4.881 50 50 JJGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 4282493 QYLLRSITYREUCI-TYTDVRKUSA-N 463.331 4.761 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 4347301 ZPKPODTZSOPUHA-MTDXEUNCSA-N 458.514 4.562 50 50 JJGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC1CCCCC1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 12250201 FVVPOGXDSZWBMJ-HSZRJFAPSA-N 494.617 4.842 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1C 20175711 YEYAUHXDPFRRMR-NRFANRHFSA-N 495.377 4.985 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cn1)C(N)=C(C#N)[C@@H]2c1ccsc1 706066 UBRMJXBCUQQXPX-SFHVURJKSA-N 455.381 4.846 50 50 JJGA NNC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 835857 BFPBVBICLCWMBP-NRFANRHFSA-N 469.770 4.576 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)s3)C3=C2CCCC3=O)cc1 1109609 UBOFPQOVEQECBS-LJQANCHMSA-N 456.365 4.824 50 50 JJGA C=CCc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c(OC)c1 2543307 OWYIBBMLUYOSDF-LQKURTRISA-N 478.932 4.825 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1 2553488 HDPFOLRVHCPXBO-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cc1 707189 DSTGRWJEOFPCIX-QFIPXVFZSA-N 481.369 4.959 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)ccc1OC(=O)c1ccco1 718371 XSYHQCCOQMAXBK-FYSMJZIKSA-N 486.480 4.699 50 50 JJGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1 5359501 YQVLXVZVLFEDCT-BRJLIKDPSA-N 453.333 4.950 50 50 JJGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCC2 714774 JVEVQIXOGLCMOH-NRFANRHFSA-N 474.586 4.503 50 50 JJGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4372539 ULQHJSMPVISGPF-MMDHUZEPSA-N 469.335 4.651 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(O)cc1 5352796 IGSFDQCKSWPRPV-DHRITJCHSA-N 450.951 4.686 50 50 JJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1nnc(-c2ccccc2)s1 2531175 NKUYJRLQOOATTD-VULFUBBASA-N 491.960 4.526 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532282 KSRVECYPDJYZFV-VULFUBBASA-N 481.346 4.814 50 50 JJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3116494 ANFFPJHDYVIYIZ-DHRITJCHSA-N 487.737 4.851 50 50 JJGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)c1 4282524 GNZYXGVRTBKMBF-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)cc1 4329617 XDIXQQIKXKPGFI-CVKSISIWSA-N 497.345 4.840 50 50 JJGA Cc1ccc(NC(=O)CCC/C(CC(=O)c2ccc(Br)cc2)=N\NC(=O)CC#N)cc1 17195669 UFNKZEKYGDRGSG-NHFJDJAPSA-N 483.366 4.525 50 50 JJGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccccc2)cc1 1830440 QWVVRKMVZBEZEG-OGLMXYFKSA-N 470.602 4.869 50 50 JJGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1 2520165 LBAKWSPNHZNMDS-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2530545 OIDGCPQVFPZIFO-MMDHUZEPSA-N 453.882 4.745 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(O)cc1 2544041 NDYMOPDSYCAVPW-WYMPLXKRSA-N 473.710 4.791 50 50 JJGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 8405011 LZUUGCOLINBEHE-HSZRJFAPSA-N 458.518 4.934 50 50 JJGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 8454780 BGWWWZGMHMCXBT-JFLMPSFJSA-N 461.543 4.762 50 50 JJGA O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 2531068 STFNYSGGLNCRHL-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4260573 CTDVPDTXQXPOST-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA C/C(=N\NC(=O)COc1c(C)cc(Br)cc1C)c1ccc(Br)s1 1234661 CNEPYLFZFQJGKE-YBFXNURJSA-N 460.191 4.809 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 13174296 QGJGQKPETYYISB-VWLOTQADSA-N 474.582 4.991 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 3114812 QPCWYVWIGPVGGV-SCELWYEFSA-N 453.336 4.946 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 1756590 NAJIPUPDCHWKBT-AFUMVMLFSA-N 492.948 4.738 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)cc1OC 2531943 ZKUJIIXLQBPFMH-VULFUBBASA-N 497.345 4.758 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccccc2)cc1OC 1475055 ALWMRUFUSKOEGY-AFUMVMLFSA-N 493.614 4.564 50 50 JJGA N#C/C(=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)c1nc2ccccc2[nH]1 13942830 OHNDQVHCJCBSGO-BOPFTXTBSA-N 461.481 4.949 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)cc1OC 25504022 BKANWEIPJFDHDM-WGOQTCKBSA-N 479.606 4.710 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 2585046 URBGWXZSBDHTMR-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 4209554 FYTZOKJBJRGIMJ-LFAGMZLZSA-N 484.943 4.968 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 4347384 GORMTDABDNWHMP-AKBIMGJMSA-N 466.921 4.876 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccccc1 4372818 UJGQQRUJZUUQJD-LQKURTRISA-N 460.530 4.875 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1cnccn1 2543990 OSDHNNFVPIMJQJ-KVSWJAHQSA-N 465.296 4.920 50 50 JJGA CC[C@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc2ccccc2c1 2747662 SEVCWJANJYHQSP-BTVXTAIASA-N 457.315 4.785 50 50 JJGA C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C1C(=O)CC(C)(C)C2 841837 ZWPFZISKQUHBGI-LBPRGKRZSA-N 460.397 4.738 50 50 JJGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1OC 15320077 DIISYXOHCAZDIR-HSZRJFAPSA-N 488.544 4.642 50 50 JJGA COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1191594 CIOMNAVXUKLTRH-AFUMVMLFSA-N 465.531 4.566 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Br)cc1 1798421 XDXLGBAPPBHZDT-KEBDBYFISA-N 479.450 4.835 50 50 JJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)o1 2352916 FILUTACUCMUODG-ZMOGYAJESA-N 496.390 4.841 50 50 JJGA COC(=O)c1cccc(Cn2cc(/C=C(\C#N)S(=O)(=O)c3ccccc3)c3ccccc32)c1 1118380 JGQKIOLPHFGMMC-HZHRSRAPSA-N 456.523 4.815 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1c(F)c(F)c(F)c(F)c1F 2114939 QFHMBGFOSGPHHF-INIZCTEOSA-N 492.400 4.784 50 50 JJGA CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 2327591 GBJUDKMALNMWBL-SSDVNMTOSA-N 478.068 4.792 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc(C)c1 2531522 LLWITSJQGVWKNL-VULFUBBASA-N 497.345 4.514 50 50 JJGA C/C(=N/NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 20572705 HHMDIOLCTVCBKI-VEILYXNESA-N 472.570 4.736 50 50 JJGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 20587064 ICNIBQNMSZJXDY-KLJDGLGGSA-O 454.550 4.705 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 2553294 BRIMJEOVWGLRGO-DHRITJCHSA-N 486.753 4.770 50 50 JJGA O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 8383108 TVFGQAGUYNNVCA-UHFFFAOYSA-O 456.462 4.668 50 50 JJGA O=C(CCl)N[C@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130795 OJFXTIVUUZIBKR-SECBINFHSA-N 478.443 4.985 50 50 JJGA COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 9113799 AYHPRFXNNWPKGW-ZXVVBBHZSA-N 471.586 4.884 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OC)cc1 2531558 RGYPLYQEBHRURW-JVWAILMASA-N 450.466 4.606 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 1834658 KNGHYISSZMBZJH-MZJWZYIUSA-N 495.967 4.978 50 50 JJGA CCOc1ccccc1NC(=S)NNC(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 2795627 QLTOWJBZOAGEPU-UHFFFAOYSA-N 480.546 4.512 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 4335826 WJRNMCTYMTVXOO-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 27551810 CNQLMURRNZKPKP-SZNDQCEHSA-N 477.355 4.810 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2531211 HLOHFVYOEPSWJM-OKCVXOCRSA-N 471.944 4.952 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2544137 PAWSLKVJICKIIL-LGJNPRDNSA-N 458.301 4.770 50 50 JJGA N#CC1=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428512 DOJXAFXTXHDVIG-GOSISDBHSA-N 471.882 4.523 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)c(F)c(F)c1F 20258571 NHGGQBMJVNXBIS-IZZDOVSWSA-N 481.402 4.972 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OC)cc1 4230122 IONZUWULQKMDCR-TURZUDJPSA-N 460.530 4.786 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(OC)cc2)cc1 4229974 MUOXUMHYNBCZDH-RDRPBHBLSA-N 484.556 4.866 50 50 JJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520430 WGACKYQGLZSSAB-NDZAJKAJSA-N 492.535 4.607 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)c2)cc1 2391494 SHAUUSMSACRVGM-LQKURTRISA-N 460.530 4.875 50 50 JJGA Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 32606389 BWVLOFXAYMTREL-WGARJPEWSA-N 466.335 4.539 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccccc3F)ccc2[C@@H]1c1c(F)cccc1Cl 1775976798 QDJKEJAJAVQFPE-FQEVSTJZSA-N 474.872 4.604 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC 1474954 NAVXEWVPGWZMTB-JVWAILMASA-N 487.585 4.502 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 9111154 GPXURDANJQBVMZ-ZXVVBBHZSA-N 471.586 4.884 50 50 JJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)c(OC)c1OC 102283865 VCFKLGVBHHQNLT-TURZUDJPSA-N 477.646 4.980 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1195507 IMRHWJRIMVICTA-KBKYJPHKSA-N 460.368 4.573 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1OCc1ccccc1 2576226 XTWXSTLGXKHIRO-YDZHTSKRSA-N 454.280 4.700 50 50 JJGA Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 8973446 HQBJZEGYRNNAPW-IBGZPJMESA-N 471.742 4.931 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccs3)ccc2[C@H]1c1c(F)cccc1Cl 1857799605 NVWUFYWESOLHML-GOSISDBHSA-N 462.911 4.526 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC 13239644 BRYSCEOLMYYHMT-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1 239203386 SGTHSTZLBWKEHP-UFOPBENGSA-N 456.336 4.605 50 50 JJGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC(C)=C1C(=O)OC 1136907 QPRLJDDLKYOJOF-XMMPIXPASA-N 477.586 4.635 50 50 JJGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2531176 ZBPWEXASZHHUIN-FRQJIFLKSA-N 453.882 4.745 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1CSc1ccccn1 8567650 QYSNUHCOKGOUDO-QFIPXVFZSA-N 467.554 4.991 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 2199221 MKLPWWSJPGKMPV-JVWAILMASA-N 471.586 4.802 50 50 JJGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc2c1CCCC2 2529602 VVKNWAKBVXVMSQ-CCVNUDIWSA-N 492.988 4.820 50 50 JJGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c(Cl)nc2c1 4209526 VSHHDMUFRJESFM-NSKAYECMSA-N 471.369 4.945 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cccnc1 9427489 CNOVHEMYQRAVTN-WGOQTCKBSA-N 462.966 4.615 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 4283349 QZMKBVFXAFONLJ-TXMABLNQSA-N 496.947 4.884 50 50 JJGA Cc1ccc(/C=N/NC(=O)c2ccc(Oc3ccc(C(=O)N/N=C/c4ccc(C)o4)cc3)cc2)o1 1214040 ZHVCTKOSIQRIOR-DPCVLPDWSA-N 470.485 4.810 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2552565 YOWZZYRYZCSGRB-MFKUBSTISA-N 467.319 4.831 50 50 JJGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 4927999 VKILVBBPHXLWNF-JFLMPSFJSA-N 450.502 4.502 50 50 JJGA Cc1cc(N2C(N)=C(C#N)[C@@H](c3cc(Cn4cnc5ccccc54)cs3)C3=C2CCCC3=O)no1 12446668 WPOXXENUNDANEE-DEOSSOPVSA-N 482.569 4.747 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 2358480 IJWBOMCVLKEBQY-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4229921 CETXTNHFRBVRPZ-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 690968 PIOYIJRZKHZHKR-MZNJEOGPSA-N 495.410 4.734 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2544313 JWCDGISLDRSWRV-WGOQTCKBSA-N 479.330 4.997 50 50 JJGA C[C@H](NS(=O)(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 1875323226 BTQDMRAHZYZUIB-FPXQBCRKSA-N 485.635 4.548 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229892 BFNYTIQLAVAHCU-LFQMHZOZSA-N 493.357 4.986 50 50 JJGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CI)CC[C@@]43C)[C@H]1CCC2=O 254290625 MLUAUWXRNXTGCU-YLMHJTNXSA-N 456.364 4.865 50 50 JJGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)[nH]n3)cc2)cc1 1468837 FZLUAEGCHOZWSZ-CVKSISIWSA-N 455.474 4.636 50 50 JJGA COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(Br)cc4)cc3C2)cc1 32117061 FNHNFAYEDGVZCB-MXAYSNPKSA-N 450.336 4.742 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(F)cc2)c1 2531563 SEQFLVVPCWOCCC-LGJNPRDNSA-N 485.309 4.645 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1440724 IAXGQIJADQVXAV-VGSWGCGISA-N 452.480 4.676 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1440725 IAXGQIJADQVXAV-VGOFRKELSA-N 452.480 4.676 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 2518465 LJIXYXNAPNKZGN-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2530158 GSKVWTKGYGFOMH-KKMKTNMSSA-N 491.302 4.889 50 50 JJGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2542899 DBUIPDNUHNQOJN-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA NNC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 835859 BFPBVBICLCWMBP-OAQYLSRUSA-N 469.770 4.576 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)cc1OC 2530559 OXAZSXPOBONGMU-ZTLXJKOPSA-N 498.535 4.994 50 50 JJGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)c(C)c1 13174349 AGWYHGLXBGOZQT-VWLOTQADSA-N 487.581 4.833 50 50 JJGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(Br)cc1 2522028 WKOIWHKYSYLHTM-FSJBWODESA-N 470.396 4.526 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 220954353 YZCJCDQYXMUTCJ-MOPGFXCFSA-N 461.370 4.973 50 50 JJGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 2570314 BGAHFSOZGAHKCU-QHCPKHFHSA-N 458.518 4.934 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584757 XQKDSZRBCWVTDH-BRJLIKDPSA-N 459.285 4.691 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)cc1 4259405 VCYKFZRWDJOCRZ-VFKGCLKRSA-N 468.509 4.985 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2OCC)cc1 4302999 PFGKTEYQGWRCMJ-STBIYBPSSA-N 494.519 4.762 50 50 JJGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143530 STUPGHQKDROREX-LJQANCHMSA-N 452.561 4.991 50 50 JJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 1775977798 WZHOZMOQQCKFCG-SANMLTNESA-N 486.524 4.930 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 4259396 PSUGCCLTZAKVNI-RWPZCVJISA-N 487.947 4.599 50 50 JJGA CCCc1n[nH]c2c1[C@@H](c1cccc(OC)c1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 1114221 CXLNRIKJFVVSRO-FQEVSTJZSA-N 495.377 4.930 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2532250 UZCVYKVXGNORKW-VULFUBBASA-N 481.346 4.814 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1Cl 2835478 KOTTXLIOXKUQFT-HSZRJFAPSA-N 498.004 4.980 50 50 JJGA Cc1cc(N2C(N)=C(C#N)[C@H](c3cc(Cn4cnc5ccccc54)cs3)C3=C2CCCC3=O)no1 12446669 WPOXXENUNDANEE-XMMPIXPASA-N 482.569 4.747 50 50 JJGA O=C(N/N=C/c1ccccc1Br)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521889 AWWORQZZEZIMFY-YDZHTSKRSA-N 492.782 4.667 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1OC 2531138 AISZTPBWFJNIMH-VULFUBBASA-N 497.345 4.758 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4282602 HHAKSMJSIIXCHV-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1COc1c(F)c(F)cc(F)c1F 20258578 QUTODRHGYUFNAH-WUXMJOGZSA-N 463.412 4.833 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(F)cc1 2838393 HWWLBVPJLMSIGH-VWLOTQADSA-N 460.461 4.750 50 50 JJGA CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31C(C#N)=C(N)Oc2cc(O)ccc21 8828784 KHRFTABMPUFAOC-FQLXRVMXSA-N 463.537 4.599 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)c1cc(O)cc(O)c1 13321736 BOEMQCXFIBKTON-BHGWPJFGSA-N 475.726 4.857 50 50 JJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2570283 PQADXOWNXRCFNC-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@H]3C=C[C@@H]([C@@H]4[C@H](Br)[C@H](Br)[C@H]43)[C@@]12Cl 254453299 YPOSEOALJLAJOD-SMFDJHIISA-N 481.826 4.802 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 1468935 UZZPHKSVRNDJMI-VULFUBBASA-N 475.892 4.981 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccncc1 1474668 XXCIHXMBEONSGK-LGJNPRDNSA-N 483.384 4.879 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2518491 IKEVRTSHBNZXKA-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2OCC)cc1 4360065 ZUTZLPNTHYJKIT-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA NNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 846562 ABTGGHLOQZKJRF-XKZIYDEJSA-N 492.366 4.607 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360334 ZNWAOZFSAWNARH-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1F 2342979 MLEQMYCYHBRRFZ-ZVBGSRNCSA-N 452.989 4.865 50 50 JJGA CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 9457945 QMRJLMKJCSPBBF-GOSISDBHSA-N 496.898 4.505 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 4296204 VWZUCHSYCAMKSU-QESWDSMOSA-N 487.339 4.795 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(COc4ccccc4)c32)ccc1-c1ccccc1 8566478 BVJYULKMBMJFKV-DEOSSOPVSA-N 450.498 4.882 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@H]1c1ccco1 16676293 XPEOGYXMSUZVFE-FQEVSTJZSA-N 457.349 4.943 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCc1ccccc1C 20418634 CIXPCSWOERXEFL-FYJGNVAPSA-N 456.498 4.900 50 50 JJGA O=C(O)/C(Cl)=C(Cl)/C=N/NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 13959403 UOCJPVMNPPPQEP-UMGIQMQYSA-N 452.077 4.655 50 50 JJGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br 728139 WIFOXGQTFLPSKL-JLCFBVMHSA-N 481.346 4.675 50 50 JJGA O=C(N/N=C/c1cccc(Br)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521997 NCAVQFPJTAHMOE-YDZHTSKRSA-N 492.782 4.667 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccco1 9272092 IWCLMZIRDACZIS-BUVRLJJBSA-N 451.939 4.813 50 50 JJGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1cc(-c2ccccc2O)nc2ccccc12 20533873 FXFAFYNMIUYAAR-WKULSOCRSA-N 451.461 4.901 50 50 JJGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1100605 HHIIDBZCNSGNSC-DHRITJCHSA-N 485.400 4.822 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OCc1ccc(F)cc1 1129487 MSZAUJMEZKIGHE-FQEVSTJZSA-N 478.524 4.661 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2543327 HDLQRFBPUHKXOS-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA O=P(COCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2810027 POPXCXWDTQAMPI-UHFFFAOYSA-N 490.476 4.963 50 50 JJGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 8829933 WBNFJGZBTYWURY-UHFFFAOYSA-N 466.365 4.742 50 50 JJGA aggregator CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(C)c1 20175697 QSYXQXPVCMOYRT-NRFANRHFSA-N 495.377 4.985 50 50 JJGA O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 220962284 YKUMTHMEPFCHPB-QRVIBDJDSA-N 454.280 4.700 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(F)cc1 1110960 FOAFTSFXLJUPFD-QHCPKHFHSA-N 478.520 4.873 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2)cc1 2520423 OJRIBCBGFYTDME-LQKURTRISA-N 493.947 4.745 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2544357 DWWPRZSGYCMMTN-LQKURTRISA-N 499.479 4.748 50 50 JJGA COc1cccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(Cl)c1 20274635 NQGMTCCOOUDIBS-UDWIEESQSA-N 476.916 4.880 50 50 JJGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1cc(C)c(Br)cc1C(C)C 102309868 ULUUJQCRCKQNBF-PCLIKHOPSA-N 460.372 4.781 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 4230189 SWRPLSPZLCTOQS-CIRUFVMISA-N 481.346 4.894 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OCc1ccc(F)cc1 1129483 MSZAUJMEZKIGHE-HXUWFJFHSA-N 478.524 4.661 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cc(C)c(Cl)c(C)c1 9110405 NNFQAWQBFIWOSQ-NRFANRHFSA-N 450.926 4.794 50 50 JJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)cc1 25781978 DPZLHKKDEGYZTL-QFIPXVFZSA-N 463.925 4.619 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1sc2ccccc2c1Cl 4210167 MPLCBDHVEJIQSU-RPPGKUMJSA-N 465.918 4.941 50 50 JJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Br)cc1 2518502 JUHVSDKAKQPCGN-DHRITJCHSA-N 486.753 4.770 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2530395 UTGRAFGEXCHKQT-RDRPBHBLSA-N 481.556 4.725 50 50 JJGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCCCC2)c(OC)c1 2749518 VGVQULLAPYPRAT-XMHGGMMESA-N 469.969 4.768 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1440707 BLEUWHRZWJWTEP-YCRPNKLZSA-N 453.373 4.964 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)cc1 2543200 GUZBJSXYLCXHJB-CVKSISIWSA-N 497.345 4.927 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccccc1 2530504 LKUWIWVFFYOPQJ-OGLMXYFKSA-N 460.530 4.957 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4282157 WFUPGHFSRJVHAJ-OGLMXYFKSA-N 499.527 4.765 50 50 JJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)cc1 25781976 DPZLHKKDEGYZTL-JOCHJYFZSA-N 463.925 4.619 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2543108 GCELAJOJXMXCDS-CVKSISIWSA-N 452.894 4.730 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 2360152 CKSDVFGJOMYBBY-WPWMEQJKSA-N 470.602 4.551 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1C 1130776 NYXJRCBLXPZRBD-HXUWFJFHSA-N 481.350 4.595 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC 2544394 YCLWFHHTSCFIAW-WKULSOCRSA-N 498.491 4.569 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 8817648 CRQRCCBJQNDOOR-NLRVBDNBSA-N 486.557 4.783 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccncc1 9272498 TVJUBKOBLMROGJ-WGOQTCKBSA-N 462.966 4.615 50 50 JJGA BrCC1(CBr)CC=CCC1(CBr)CBr 101093459 MGBYRWCWEKTHCW-UHFFFAOYSA-N 453.838 4.889 50 50 JJGA CC(C)(C)OC(=O)N1CC[C@H](C=O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 230571292 ZRYJHOBBXAEQHU-GOTSBHOMSA-N 481.709 4.778 50 50 JJGA CCN(CC)S(=O)(=O)c1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1 1857800829 VEEJKSIOIRSHIQ-UHFFFAOYSA-N 490.416 4.965 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(OC)c2)cc1 2530336 WLDZMJUPTBSRQY-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 2675357 WDDIQHFOKPEITL-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 4327263 BAGOXAUTHITOQS-STBIYBPSSA-N 465.509 4.765 50 50 JJGA COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)c3ccccc23)c1C 2810549 NQUKOWUICVKVNA-QGOAFFKASA-N 452.352 4.679 50 50 JJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4230140 ANIOIERHWODAQS-RPPGKUMJSA-N 497.985 4.716 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4230318 KLNZEOXKHWUYJB-STBIYBPSSA-N 485.519 4.556 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1Cl 2364868 QKXPUMMTORXKDZ-JOCHJYFZSA-N 464.905 4.798 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(OC)cc2)c1 102281196 XCHZVHPQLFYIHB-VUTHCHCSSA-N 481.593 4.621 50 50 JJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 32603765 JKXYQONSMFBTRL-WGARJPEWSA-N 466.335 4.539 50 50 JJGA CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2702988 HVUHDCDBDUNDON-PCLIKHOPSA-N 459.600 4.899 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccc(Cl)cc2)cc1 863888 XGXPDVHQLVFBBS-LGJNPRDNSA-N 493.976 4.550 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1 13239724 XJXUJJGKKUUETP-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 1474978 NVRMKVDUIQIBGN-JVWAILMASA-N 487.585 4.502 50 50 JJGA C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12361914 JFYKVAXGPGSKLG-SSEXGKCCSA-N 488.522 4.764 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402232 QALQQHFAOAVHPK-RUZDIDTESA-N 496.464 4.892 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc(C)c1-c1ccccc1 20343456 VMIKUTRUGCUGMI-UHFFFAOYSA-N 459.618 4.820 50 50 JJGA c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1 59240973 XLCNVWUKICLURR-UHFFFAOYSA-N 469.622 4.882 50 50 JJGA investigational O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1I 1879998 MUKLDGLQEVSLEE-OEAKJJBVSA-N 456.283 4.634 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)ccc1O 2388502 UFZFCJOXQNYCMP-ZMOGYAJESA-N 455.308 4.506 50 50 JJGA O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 4230170 LGUNNQDRYGCEKF-WWFUUPRNSA-N 479.330 4.597 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 1003292 MRHHAFBSYPOUOC-JOCHJYFZSA-N 488.462 4.938 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 2531654 BUZQDJFMSXQIKB-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)o1 334161053 RUZCKPSJOBEBFX-OGLMXYFKSA-N 467.481 4.749 50 50 JJGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2894452 OUZDAGABTJCKJJ-JFLMPSFJSA-N 475.501 4.775 50 50 JJGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 8455975 FSSZNWHPUQULNW-KCDOPAPYSA-N 497.187 4.577 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 102294795 BURMHRSHSHILTB-RDRPBHBLSA-N 469.557 4.752 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1C 3116069 KMMBASOFWQFCMD-VULFUBBASA-N 481.346 4.814 50 50 JJGA O=C(CCl)N[C@@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3130794 OJFXTIVUUZIBKR-VIFPVBQESA-N 478.443 4.985 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(O)cc1O 2542878 RNRZHUSDLBVCAE-MZJWZYIUSA-N 460.873 4.888 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 2326418 VLJCPKWWRFPRLF-LSHDLFTRSA-N 493.035 4.513 50 50 JJGA COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 20259261 GUXSFENKPCQLPX-UDWIEESQSA-N 486.503 4.571 50 50 JJGA CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 9471099 QMRJLMKJCSPBBF-SFHVURJKSA-N 496.898 4.505 50 50 JJGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521091 LTKHMSSUYDWDBG-BRJLIKDPSA-N 488.283 4.650 50 50 JJGA COCO[C@](C)(CCCSc1nnnn1-c1ccccc1)CO[Si](C)(C)C(C)(C)C 169836593 CFZYKSQNSMALCL-OAQYLSRUSA-N 452.697 4.936 50 50 JJGA CCCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC 2506244 NAFAMNRWWKHMOD-SRZZPIQSSA-N 470.161 4.773 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2C)c1 25782149 XPNJBXKDGKCKGJ-VULFUBBASA-N 481.346 4.814 50 50 JJGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 20344895 NIXLLYRGSSNPDQ-UHFFFAOYSA-N 482.612 4.751 50 50 JJGA COC1(OC)[C@H]2C=C[C@H]1C[C@@]2(O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1 169837530 ZPGSZQKEKRYMOD-AECHJOTKSA-N 490.716 4.578 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 2519888 GRHXPWBWIFKBEG-LQKURTRISA-N 460.530 4.875 50 50 JJGA CCCc1n[nH]c2c1[C@@H](c1cccc(OC)c1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2 622925 WTYYVHZVZOYOKO-FQEVSTJZSA-N 468.916 4.960 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br 752464 NFZMOMLPGKJHCC-YCRPNKLZSA-N 451.320 4.666 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2532030 XZPOUVQGYGUOTA-FDAWAROLSA-N 495.583 4.517 50 50 JJGA N#C/C(=C\c1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 20494788 PPOVVGPTZSVVLM-VCHYOVAHSA-N 460.873 4.511 50 50 JJGA C[C@H]1CCC[C@]2(O)[C@H](O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]12C 169832112 FZHQEJHMVNBBEO-SQIAJRMJSA-N 452.711 4.644 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)c(F)c2)=C(C#N)[C@@H]1c1cccs1 803947 SPUPLMHBHREQTG-HXUWFJFHSA-N 475.542 4.657 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1OC 1056577 HKBVQVRWSRAACQ-QFIPXVFZSA-N 480.362 4.771 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1 2530472 KFIOSPHAJJJTTN-OGLMXYFKSA-N 454.482 4.927 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OCC)cc1 2531856 MPRGUNXGCQAMJF-OGLMXYFKSA-N 464.493 4.996 50 50 JJGA CC1(C)OB(c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)OC1(C)C 216631578 WERIEKGRGUHNIT-UHFFFAOYSA-N 465.362 4.605 50 50 JJGA Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)cc1C 6858719 WEGMBCLYNSQEQI-WDZFZDKYSA-N 471.092 4.809 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccccc1F 1139593 QTWRJSXFSZRENG-NRFANRHFSA-N 469.310 4.982 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3)n2-c2ccccc2)cc1OC 1193050 FXPJDEIOAKLWGT-IMRQLAEWSA-N 487.585 4.584 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1 2553627 TXTRXOCRLLFQNH-JQUAZWMLSA-N 479.330 4.840 50 50 JJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2566875 GVYCFHOJUFDMTP-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231920 IELLKHZEXLSHSZ-TURZUDJPSA-N 485.565 4.830 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC 713547 KDQMQDRWTJOWAO-QFIPXVFZSA-N 465.937 4.671 50 50 JJGA Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(F)cc3)nc12 1109177 HAJUQGYNOSNEFA-DEDYPNTBSA-N 495.919 4.926 50 50 JJGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501761 CTDXBFYIFIHKHE-LJQANCHMSA-N 452.561 4.991 50 50 JJGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc2c1CCCC2 2531242 BZAQKMPJZAZIIV-CCVNUDIWSA-N 492.988 4.820 50 50 JJGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)c(Cl)nc2c1 4258843 QVXXVTRTAXPVPN-RWPZCVJISA-N 485.931 4.538 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 4283589 DBVXSYBEOLAGRL-AKBIMGJMSA-N 466.921 4.876 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 2531192 TYATUTNNGQGMCB-HEOQCTJZSA-N 483.908 4.753 50 50 JJGA CCOc1c(Br)cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 13590123 WLSGTHWXPOYQBC-OQLLNIDSSA-N 464.323 4.560 50 50 JJGA Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)nnc1-c1ccccc1 252678628 GNXIKYCMIKQMDF-UHFFFAOYSA-N 492.004 4.957 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1C 3114334 FVCKVGGAWVKCNL-VULFUBBASA-N 481.346 4.814 50 50 JJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)cc1 4231825 PEHJGVBVCHNNAV-ZMOGYAJESA-N 462.358 4.867 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 12463549 AGSDAKUESHSLQF-ODCIPOBUSA-N 454.111 4.616 50 50 JJGA CCOc1cc(/C=C(/C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1 20175847 GRKQLBVJPRYARM-WJDWOHSUSA-N 453.907 4.960 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1c[nH]nc1-c1ccc(F)cc1 718554 UOKWMAVPJWGZAH-QGZVFWFLSA-N 477.297 4.587 50 50 JJGA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 2164383 MGXAOGDOJXOYRA-QHCPKHFHSA-N 459.458 4.519 50 50 JJGA O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2543864 SSEWVSDECQLDDB-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 2531624 ONXNPAUXCFPQCJ-RWPZCVJISA-N 452.466 4.860 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OC)cc1 4259034 OADJUNUUPJWWLO-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(F)cc1 12384429 FOAFTSFXLJUPFD-HSZRJFAPSA-N 478.520 4.873 50 50 JJGA CCn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nnc1-c1ccccc1 2704924 CJDYHQLGHVQOPO-HCWGUIKXSA-N 470.396 4.595 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 4261100 FERHKBJVUUVOJU-OGLMXYFKSA-N 460.530 4.841 50 50 JJGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2520198 GZXRLFHVFOEJPY-MZJWZYIUSA-N 499.354 4.733 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2C)cc1 4261163 XTVYUEJVOMQRED-VULFUBBASA-N 481.346 4.814 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2)c1 649168 UKHZADYUSPCHEP-QFIPXVFZSA-N 454.910 4.572 50 50 JJGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br 728140 WIFOXGQTFLPSKL-FPTDNZKUSA-N 481.346 4.675 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)Cc1ccccc1 2553655 DGPWRYOYPTVVNA-MFKUBSTISA-N 451.320 4.670 50 50 JJGA CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccc(N=C=S)cc21 42685599 ZMGWMLCTFALXEN-UHFFFAOYSA-N 473.462 4.840 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4210850 XKQYPUKCYQAEPY-VULFUBBASA-N 491.960 4.526 50 50 JJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 4335858 XEGPQGNRSDUVIJ-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1nc2ccccc2s1 8437668 OVXFCQGQHRSVMD-HXUWFJFHSA-N 461.572 4.847 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(OC)c2)cc1 2531910 KNRDTSQUSYISMY-CVKSISIWSA-N 497.345 4.840 50 50 JJGA CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 4215391 FBRAWBYQGRLCEK-AVVSTMBFSA-N 478.988 4.701 50 50 JJGA biogenic,in-man O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518499 KICQRNPRDPWHIL-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1O 3139578 PAQFXUWFJBBJDP-DHRITJCHSA-N 457.527 4.552 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)cc1 4259476 UYGIDXWAIAZBAS-YPKLGXIKSA-N 468.509 4.985 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1119136 HKSMJAVXWFBRRR-NRFANRHFSA-N 496.317 4.751 50 50 JJGA Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc(O)cc(O)c2)c1 13322338 LFXUUVGJAJQTDC-WYMPLXKRSA-N 455.308 4.512 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccc(F)c1 2360063 KZCBZSIVIPCACU-VULFUBBASA-N 465.941 4.969 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 13239679 DSFUBPHVAGBMJZ-DHRITJCHSA-N 479.949 4.889 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 4260823 KMNUJNLLDYRNFO-MTDXEUNCSA-N 472.545 4.515 50 50 JJGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2520158 SFJBUZBLEXOLSR-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA CCc1cc(C(=O)NNC(=S)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cs1 20191868 CFRVOZCMLXYVPD-UHFFFAOYSA-N 459.618 4.765 50 50 JJGA Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 32565807 GZGBSCNIYGXFRP-QFEZKATASA-N 467.319 4.506 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(O)cc1 4527533 ACYREZIWAVTGAL-NLRVBDNBSA-N 457.559 4.581 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1OC 9353742 AXZMXPULDRVKFI-LQKURTRISA-N 470.529 4.745 50 50 JJGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 43761023 OMVKPXHVLDWXHW-UVHMKAGCSA-N 487.339 4.888 50 50 JJGA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1Cl 8763462 IXWMMBCLYPGUIS-GHRIWEEISA-N 494.063 4.624 50 50 JJGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 2543281 KJZGLOWLVROFRZ-LQKURTRISA-N 479.964 4.969 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(OC)cc1 2553613 CNPXQTYHCKNVDW-STBIYBPSSA-N 484.508 4.936 50 50 JJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 1775977796 WZHOZMOQQCKFCG-AREMUKBSSA-N 486.524 4.930 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2OC)cc1 4293096 QDACWEANIWKASL-SSGLAOATSA-N 496.947 4.884 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(OC)c1 13239557 VOHFGVUEFBVVGS-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA COc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc(OC)cc(OC)c2)c1 20572636 WUKVGAMTZXPBKP-WGARJPEWSA-N 499.361 4.818 50 50 JJGA CCc1ccc2c(c1)/C(=N/NC(=O)c1sc3cccc(Br)c3c1Cl)C(=O)N2 20213038 DTPMHMNHMMBQSH-UHFFFAOYSA-N 462.756 4.966 50 50 JJGA O=C1OC(=O)[C@H]2CC3=C(CC4=C(CC5=C(C4)CC4=C(C5)CC5=C(C4)C[C@@H]4C(=O)OC(=O)[C@@H]4C5)C3)C[C@H]12 137280674 CPWLEKQRKPIKRA-ASDGIDEWSA-N 484.548 4.864 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)/C=C/c1ccccc1 2521133 BQALRXCDERLKDI-WPVXNMNASA-N 466.493 4.937 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2570303 WNQJSMSXORFWRW-FQEVSTJZSA-N 454.408 4.918 50 50 JJGA COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 9761332 LBFLCPVHPLLUQD-NRFANRHFSA-N 488.613 4.749 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 12384907 CIYHTLCMBBFCNJ-NRFANRHFSA-N 487.362 4.563 50 50 JJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(CN2CCOCC2)cs1 19874240 AETXPDYNWWTFQK-HSZRJFAPSA-N 481.021 4.538 50 50 JJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 32603902 YJCHCUQNBMLEOB-WGARJPEWSA-N 466.335 4.539 50 50 JJGA N[C@H](CSSC[C@H](N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 1736047 REEVAJUPLLWYBH-PSWAGMNNSA-N 490.654 4.606 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 8415697 XNNVKHAXSFQCIR-QRQCRPRQSA-N 453.373 4.964 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 2531090 ZJROWGJSLSSRCD-WYMPLXKRSA-N 473.710 4.791 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 4283244 LPGNLIBNTKHUAV-CVKSISIWSA-N 480.362 4.679 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 4335590 HYAUOXKSJAVQHD-STBIYBPSSA-N 490.556 4.849 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 1003289 LPTNHXHMBVTMKR-OAQYLSRUSA-N 474.435 4.548 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4261281 FAPSLYCOJCRTHH-FDAWAROLSA-N 495.583 4.517 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1Cl)c1cc(O)cc(O)c1 13321730 PMEVPORRIQWWAJ-KIBLKLHPSA-N 493.716 4.996 50 50 JJGA CCOc1cc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)cc(OCC)c1OCC 16345524 NFPCXUXXDIACOA-UHFFFAOYSA-N 471.501 4.533 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccccc2)cc1OC 1475047 MQFJCFRKZPCVOS-JVWAILMASA-N 487.585 4.502 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)cc2)cc1 2530332 ZPXGAJDFWGRQDN-STBIYBPSSA-N 468.509 4.905 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)NC(=O)C[C@H]1c1ccccc1F 2696749 VSNIPLOZMRCXRY-FQEVSTJZSA-N 485.540 4.767 50 50 JJGA Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 2566871 FEXXRMVVZOUDIV-VULFUBBASA-N 481.346 4.814 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 4327017 NOGIRELCNPEDMZ-CVKSISIWSA-N 480.362 4.679 50 50 JJGA CCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC 20573166 VNOWZQSLEUBYEU-XNTDXEJSSA-N 489.981 4.710 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 2552774 DKBQMZREKHUMIP-LQKURTRISA-N 471.900 4.801 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366716 CYOMPBHVNWPSHJ-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1O 13239734 CEHMAJSMHFWGCU-DHRITJCHSA-N 450.951 4.686 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 690960 XNNVKHAXSFQCIR-IVZQSRNASA-N 453.373 4.964 50 50 JJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1750095 QGEXKDQVHNZTJS-NTEUORMPSA-N 453.539 4.548 50 50 JJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 19800318 JWTLMKKZAPIXHX-ZMOGYAJESA-N 478.405 4.913 50 50 JJGA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](C[C@@H](Br)[C@]4(O)C(C)=O)[C@@H]3CC[C@@H]2C1 253498087 GEVAMMLEIGNEOT-DLPMGFJLSA-N 455.433 4.654 50 50 JJGA O=C(CCl)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nc2ccccc2s1 1875386196 KYOYMQZZWCPEAQ-UYAOXDASSA-N 456.011 4.505 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)c1 2531939 AZYBPEAYIUKASX-DHRITJCHSA-N 455.283 4.880 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 43190639 QPRFGMXXYVAQRB-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CCCCCCc1cc2cc(/C(C)=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O 13511362 CHPLGIBGOUPNAH-MYYYXRDXSA-N 451.479 4.684 50 50 JJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 1775975058 CISHQMZCMUIDRF-RUZDIDTESA-N 456.498 4.921 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 1454693 LFBULAJXASFMOP-VULFUBBASA-N 475.892 4.981 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1 20255588 HWTSOEJGRMDABW-FQEVSTJZSA-N 491.491 4.929 50 50 JJGA CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21 170157497 RBFWXVHGJQDSGG-VXKWHMMOSA-N 478.291 4.526 50 50 JJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775976674 STHKREUOWAYLFP-DEOSSOPVSA-N 455.420 4.950 50 50 JJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2543075 INBMAKLIZRIJNJ-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1F)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 946729 LOMHDLOXTVEXTD-RPPGKUMJSA-N 463.310 4.994 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 4296286 WHCCQXAOTLTGNU-OCSSWDANSA-N 451.526 4.607 50 50 JJGA CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)cc1 12413327 PWBVVLUAZODNNC-NDEPHWFRSA-N 452.558 4.605 50 50 JJGA NNC(=O)/C(=C/c1cc(-c2ccccc2)nn1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 1232268 DQVNEYSRDNYTKO-HAHDFKILSA-N 492.366 4.607 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 995817 NWFBZXUIYBBVEW-OAQYLSRUSA-N 482.309 4.622 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1Br 2388937 ZDKCVUJGIFARQV-LGJNPRDNSA-N 475.346 4.864 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 2361395 FDPWHSOZKUACQG-VULFUBBASA-N 491.960 4.528 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc(C)cc1 2506389 BAZCLVYCDXHHGM-LQKURTRISA-N 454.482 4.846 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3Br)cc2)cc1 4210009 CAWMEBGLFUXWIB-AEIQVQRHSA-N 481.346 4.894 50 50 JJGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@]2(C)[C@H]1CC[C@@]21OCO[C@@]12COCO2 253498106 KZKVGEIAXRKFFJ-CDFCQPOJSA-N 476.686 4.792 50 50 JJGA O=C(NNc1c(F)c(F)nc(F)c1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 729835868 PTWFAHAVZXKURT-SZMVWBNQSA-N 486.469 4.708 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 4366666 YAFZSHUJAFETPW-MTDXEUNCSA-N 462.546 4.982 50 50 JJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(CN2CCOCC2)cs1 19874238 AETXPDYNWWTFQK-QHCPKHFHSA-N 481.021 4.538 50 50 JJGA Cc1sc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 19932367 RKJXIQFQKCNILB-DEOSSOPVSA-N 495.048 4.847 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1Cl 1110408 CHMXIPQBEMFXFX-FQEVSTJZSA-N 457.317 4.831 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1 2530537 PROXIMIVJRSAMM-MFKUBSTISA-N 467.319 4.831 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 1108947 ODXGSBLTEDUTTH-NRFANRHFSA-N 487.325 4.812 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 12250237 OWMQOCDQEFPKSN-HSZRJFAPSA-N 451.979 4.675 50 50 JJGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 2520086 RDVKXQYHBONNET-RWPZCVJISA-N 473.460 4.995 50 50 JJGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 2520169 RCVBXALTFCCCEK-WKULSOCRSA-N 499.958 4.846 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2OC)cc1 4261221 VJWPYGANJZREIX-STBIYBPSSA-N 494.519 4.762 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OCC)cc1 4335730 BQZDKOSKJCAILR-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br 728138 WIFOXGQTFLPSKL-PEBXRYMYSA-N 481.346 4.675 50 50 JJGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 2280502 OALWAKFNABZJKR-JVWAILMASA-N 487.585 4.589 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2702984 IBYZQYUWFRNYGA-YZSQISJMSA-N 457.559 4.575 50 50 JJGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229166 KRBHJTQTAGCCSN-MOYYISEASA-N 478.346 4.752 50 50 JJGA Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1C 9010587 OIBNGRKWNQRMAX-DEDYPNTBSA-N 452.514 4.713 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2529595 XOOFGWUWOFVKST-MZJWZYIUSA-N 470.884 4.626 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2OC)cc1 4329745 DGAYOQVYEBBYQX-CVKSISIWSA-N 497.345 4.840 50 50 JJGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc(-c2ccccc2O)nc2ccccc12 20533874 ASZYLTPQNIUTPF-RPPGKUMJSA-N 490.313 4.863 50 50 JJGA COc1cccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)c1 25783598 DXQGXSFAZKTFEQ-STBIYBPSSA-N 484.508 4.849 50 50 JJGA C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C1C(=O)CC(C)(C)C2 841838 ZWPFZISKQUHBGI-GFCCVEGCSA-N 460.397 4.738 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2531568 UKNJMRQRXKSZHK-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OCC)cc1 2531764 DTYCGDRQLMHNPG-OGLMXYFKSA-N 464.493 4.996 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210238 WVNRKBZRXPEATC-UWMSMEEPSA-N 479.330 4.597 50 50 JJGA Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@@H](c4cccnc4)C4=C3CCCC4=O)s2)cc1 12447720 XXRJMEXGVJNHHP-OAQYLSRUSA-N 486.626 4.839 50 50 JJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3c(O)ccc4ccccc34)c2)cc1OC 13322045 XRMUOBIEUXKLBK-OCSSWDANSA-N 483.524 4.969 50 50 JJGA O=C(Cn1c(=O)sc2ccccc21)O[C@@H](CCl)CSc1nc2ccccc2s1 17729254 KPAYOBMKKLKJKR-LBPRGKRZSA-N 450.994 4.616 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)c(Cl)c1 648606 FUDJRHYVBPPWMR-JOCHJYFZSA-N 454.885 4.881 50 50 JJGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 27551813 CNQLMURRNZKPKP-LHSJRXKWSA-N 477.355 4.810 50 50 JJGA Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccc(F)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 705942 ICGQAFXPEFEIKQ-JOCHJYFZSA-N 492.576 4.823 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 2520223 KSTIWFZUIYCCIH-RDRPBHBLSA-N 481.556 4.725 50 50 JJGA N#CC1=C(N)Oc2c(c(C(F)(F)C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cnc2ccccc2n1 2788736 OGOACYLUARFHMD-KRWDZBQOSA-N 484.388 4.688 50 50 JJGA CCO[C@H](CCl)/[S@](=N\S(=O)(=O)c1ccccc1)c1ccccc1Br 3123912 GZLMKSUBVPSCTB-HJPURHCSSA-N 450.807 4.600 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428564 ONOFPGQEMMABGM-SFHVURJKSA-N 471.882 4.523 50 50 JJGA O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2098385 ISTWHBZMXAJELM-BEJOPBHTSA-N 499.321 4.875 50 50 JJGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1OC 2391589 DCQHRXJMDQDCQV-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2C)cc1 2553105 FOWIRTGQBKWOPX-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 673420 SCCDJMIVYOCERI-PIKZIKFNSA-N 486.531 4.985 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)NC(=O)C[C@@H]1c1ccccc1F 2696747 VSNIPLOZMRCXRY-HXUWFJFHSA-N 485.540 4.767 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccc(C)cc1 9296312 GSPUQEICGPTYBU-OAQYLSRUSA-N 481.350 4.595 50 50 JJGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12416854 UVWDNDGZJHQJGP-MUUNZHRXSA-N 464.500 4.761 50 50 JJGA C/C(=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(Br)ccc1O 20158799 RKVYKNIUNKXHKT-VYYCAZPPSA-N 461.319 4.919 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc([N+](=O)[O-])cc1 20551267 ZFKVWWBOYUHFJR-SXZORUHJSA-N 457.486 4.967 50 50 JJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccc(C)cc2)cc1 1810119 BAUAMOONBNTFCO-JFLMPSFJSA-N 459.550 4.933 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1O 13598224 UCSFYAFKXCLZLB-NLRVBDNBSA-N 457.559 4.581 50 50 JJGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 863906 DKWKJYIAKRCHSO-VUTHCHCSSA-N 486.597 4.951 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(Br)c1O 987163 RJPSPGKWMKMLEQ-MRXNPFEDSA-N 487.379 4.840 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 1000005 YPTNYPPRBRAMPD-FQEVSTJZSA-N 454.408 4.918 50 50 JJGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccccc2[N+](=O)[O-])C2=C1C(=O)CCC2 4143531 STUPGHQKDROREX-IBGZPJMESA-N 452.561 4.991 50 50 JJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4347298 QADFXTTZLYIMOP-VULFUBBASA-N 491.960 4.526 50 50 JJGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O3)c(OCC)c1 8846385 QGNOLOZAHQRCJR-QHCPKHFHSA-N 490.560 4.890 50 50 JJGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 1435085 DUKSTUAANQEVRW-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209991 BPDRDBHSFFWBMV-VPMSBXQOSA-N 450.494 4.988 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)cc1 4229975 HQYBAYVTSXZYBP-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cnccn1 4230037 ORTWNLZNAMZBQW-KBVAKVRCSA-N 474.524 4.672 50 50 JJGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc32)cc1 1775977313 SURIWWSHFZGAAE-QFIPXVFZSA-N 468.531 4.533 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OC)cc1 2531532 MILGBJMWRBPFRX-JVWAILMASA-N 450.466 4.606 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1 4282957 WVHXEDZMLJIXPC-ZDXYVKDXSA-N 465.303 4.537 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2529586 WGYCVECRLWRILJ-JFLMPSFJSA-N 466.921 4.795 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccccc1F 1139595 QTWRJSXFSZRENG-OAQYLSRUSA-N 469.310 4.982 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccc(OC)cc1 1142346 JMWRDGCYCIKBTN-NHCUHLMSSA-N 499.976 4.607 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 2543907 MYRPAQWERNQJGT-DHRITJCHSA-N 471.282 4.580 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)cc1 4259787 BZTZLUSDZJLFFA-WBILBPDKSA-N 497.345 4.595 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Br)cc1 252601255 DYSATZMXVJCICY-UHFFFAOYSA-N 492.402 4.939 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543029 JROIGWJSLXHJSV-WGOQTCKBSA-N 479.330 4.997 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)ccc1OC(=O)c1ccco1 3672600 XSYHQCCOQMAXBK-GYCJOSAFSA-N 486.480 4.699 50 50 JJGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 2532194 GPNWRCVEOMVUML-NDZAJKAJSA-N 494.503 4.898 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 716013 GHSDDKARGJJAQY-HSZRJFAPSA-N 475.501 4.633 50 50 JJGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 2518469 BQIOVDHNWIZSRX-UVHMKAGCSA-N 486.355 4.978 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 2518695 RNYCGSLQYNNQJM-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1 659834 PHESOESNCSHEQN-JOCHJYFZSA-N 492.421 4.851 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532217 MBKUNTINFIZITO-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 4302751 LBLDLQMRYHENEI-JFLMPSFJSA-N 465.937 4.715 50 50 JJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)[nH]n1 5297105 GUGYHUBRSXGPSF-LQKURTRISA-N 464.529 4.805 50 50 JJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(CN4CCOCC4)cs3)C3=C2CC(C)(C)CC3=O)cc1 12447789 GHLKXUWMZBGJSG-VWLOTQADSA-N 488.657 4.830 50 50 JJGA COC(=O)c1ccc(C(=O)OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 101094187 GIYHQQUGPBUJGB-UHFFFAOYSA-N 469.497 4.754 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 1144155 FYWRHBIRNSBJIB-NRFANRHFSA-N 454.885 4.881 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 4230158 OIHUQPHCQOVNRA-YZSQISJMSA-N 461.474 4.757 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OCc1ccccc1 8567964 QZRYSLPWVVOKMC-QHCPKHFHSA-N 450.498 4.882 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc(Br)c1O 676129 ZMIQLAVSYVOMIH-AUEPDCJTSA-N 479.714 4.753 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1 2077328 BULJGSYGRQCJBD-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA CCc1c(C)sc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1C(=O)OC 2856730 NMRIRLZGPYHMJT-ZWKOTPCHSA-N 473.664 4.824 50 50 JJGA Cc1ccc(-n2c(C)nc(S)c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2=N)cc1 100733138 SNTRQTBWAKRJSX-UHFFFAOYSA-O 492.608 4.877 50 50 JJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 1775975059 CISHQMZCMUIDRF-VWLOTQADSA-N 456.498 4.921 50 50 JJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1 1474754 HKNHDYVECJFIRG-ZMOGYAJESA-N 451.939 4.732 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1OC 2391593 RIUBFHIWEYCZDE-VULFUBBASA-N 497.345 4.758 50 50 JJGA CCc1c(C)sc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1C(=O)OC 2856729 NMRIRLZGPYHMJT-ROUUACIJSA-N 473.664 4.824 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 4261206 YEXFCPGPXIFIKW-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 6573648 FWCAGSLOEZSLJN-BKUYFWCQSA-N 472.497 4.917 50 50 JJGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4292798 PAGITOPVJUJEKI-MUFRIFMGSA-N 479.964 4.588 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccc(O)cc1 16134041 VBWAPKPMVWDRSP-QFIPXVFZSA-N 498.402 4.812 50 50 JJGA CO[C@@]1(NC2CCCCC2)N(C2CCCCC2)C(F)(F)[C@@]1(C(=O)OCCCl)C(F)(F)F 22342490 IXBVWOVWKUVOEB-XLIONFOSSA-N 476.914 4.781 50 50 JJGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 690962 PIOYIJRZKHZHKR-XDHUDOTRSA-N 495.410 4.734 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 705501 FTJQRZCJXHJPBF-NRFANRHFSA-N 450.336 4.762 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 863845 OBOPKMVVWFOVFG-LGJNPRDNSA-N 478.961 4.679 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O 4282451 SNJCZOBXTRQNOO-TYMFOYGHSA-N 465.303 4.537 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2OC)cc1 4335849 XYYBTPWHCWOYKI-CVKSISIWSA-N 452.894 4.730 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 12558905 XNCDCUCBKDPUFW-MZJWZYIUSA-N 492.988 4.767 50 50 JJGA CO[C@](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)O)c1ccccc1 100858646 NUHXCGMVWRGHDX-LJAQVGFWSA-O 455.514 4.997 50 50 JJGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc1 2080830 FTPMGGZJHDBLPY-XMMPIXPASA-N 456.502 4.773 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1O 2841039 XDKJGVLCNWBJLA-SFHVURJKSA-N 487.741 4.529 50 50 JJGA O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229837 OVJFOXNSNJIMCM-WWFUUPRNSA-N 479.330 4.597 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 863818 CCCFOFPYKMMGLK-JVWAILMASA-N 474.586 4.734 50 50 JJGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 1816763 QYVMURJKTIWSLR-WPWMEQJKSA-N 471.586 4.748 50 50 JJGA CCC(C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 39959607 QGBVJSSEPABFDH-HGELYGIESA-N 474.175 4.927 50 50 JJGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(F)cc2Cl)CC1 16345352 CERXSCRWVYLGDR-UHFFFAOYSA-N 488.938 4.728 50 50 JJGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 253498105 KZKVGEIAXRKFFJ-BRDZISLGSA-N 476.686 4.792 50 50 JJGA COc1ccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC 1104322 JYPNBRZXZWBCJV-RDRPBHBLSA-N 454.530 4.775 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1440709 BLEUWHRZWJWTEP-QVKFZJNVSA-N 453.373 4.964 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1c(O)ccc2ccccc12 1798429 RKIMHSYPOZBTQY-FSJBWODESA-N 466.613 4.932 50 50 JJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@@H]1c1ccc(F)cc1F 1775975361 AOXRBPPUXCBXFN-DEOSSOPVSA-N 455.420 4.950 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2OC)cc1 4282172 DKLFTVYZKGQDKH-ZTLXJKOPSA-N 498.535 4.994 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402233 QALQQHFAOAVHPK-VWLOTQADSA-N 496.464 4.892 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccc(OC)cc1 639183 ABAKBJKQBGMFLZ-OALUTQOASA-N 477.369 4.673 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br 752462 NFZMOMLPGKJHCC-QVKFZJNVSA-N 451.320 4.666 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccc(Cl)cc2)cc1 2330043 XAWLVXYTGDKVSV-VULFUBBASA-N 477.977 4.844 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2C)cc1 2530330 HBHFPFQETWCOIL-STBIYBPSSA-N 468.509 4.905 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715948 FEHUJYHTITZTGF-RUZDIDTESA-N 487.625 4.810 50 50 JJGA O=C(CSCc1ccccc1Br)NNC(=S)Nc1cccc2ccccc12 16346406 QDHNPJJGYAKWNX-UHFFFAOYSA-N 460.422 4.853 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2)cc1 4282658 BEWDGRGXTYFUIX-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 19800579 SRAFPBCBBXARPY-JXAWBTAJSA-N 458.905 4.944 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2OC)cc1 4260587 XDKZIBRCMRNVQS-UNIYSIPVSA-N 498.535 4.994 50 50 JJGA CO[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 170161834 UIDVFSCIFIMDHO-FQBWVUSXSA-N 482.915 4.870 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 4354285 YDUFLXSGTRJKPV-RDRPBHBLSA-N 481.556 4.725 50 50 JJGA CS/C(=N\S(=O)(=O)c1ccccc1)SS/C(=N/S(=O)(=O)c1ccccc1)SC 71770363 QVMBHRBPWKQMOD-YTEMWHBBSA-N 492.716 4.584 50 50 JJGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc2ccccc2n1 1193272 DHKFXZWWDCYOIX-NFFVHWSESA-N 485.341 4.678 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1O 2322297 CMTAHJUDUBYEPW-VULFUBBASA-N 493.976 4.544 50 50 JJGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 8969841 LLDKLBQUKNKEAA-UXHICEINSA-N 469.950 4.598 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402288 PBTKMQREJHOEQT-SFHVURJKSA-N 456.474 4.875 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584677 WNANLBWHKAVCIK-KBKYJPHKSA-N 487.295 4.714 50 50 JJGA CCO[C@@H](CCl)[S@@](=NS(=O)(=O)c1ccccc1)c1ccccc1Br 3123911 GZLMKSUBVPSCTB-WAIKUNEKSA-N 450.807 4.600 50 50 JJGA CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31C(C#N)=C(N)Oc2cc(O)ccc21 8828782 KHRFTABMPUFAOC-WDYNHAJCSA-N 463.537 4.599 50 50 JJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 102280413 XCLLBMMEMSHVRH-TURZUDJPSA-N 454.615 4.796 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2nc3ccccc3s2)cs1 12402632 AEUWEDLHUOEVEW-GOSISDBHSA-N 455.586 4.905 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1 13205630 UBZIMXHLUBLDEW-JFLMPSFJSA-N 474.586 4.653 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccccc2)cc1 1474935 RVAGIYHXHBNCKZ-ZVHZXABRSA-N 463.588 4.555 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2372822 HMXIERXKIGQUIQ-YZSQISJMSA-N 457.559 4.575 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2OC)cc1 4282800 LHOCKPPHZAWRCE-STBIYBPSSA-N 484.508 4.605 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OCc1ccccc1 4366186 YIBFKJKGIAFWQG-CIRUFVMISA-N 483.362 4.954 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 2789802 NLROMQZIZIBLRS-HSZRJFAPSA-N 450.498 4.775 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OCC)cc1 4283407 FDEBETWGSDKGRD-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239165306 NXFJZRPIIMTORI-DJQNJWNESA-N 462.727 4.642 50 50 JJGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)N(c2cccc(Br)c2)C2=C1C(=O)CC(C)(C)C2 680104 NDOQZXFNQGCZEX-OAQYLSRUSA-N 480.410 4.740 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 705504 CMPHLAQKOKFBJZ-HXUWFJFHSA-N 465.307 4.662 50 50 JJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(I)cc2)o1 2839931 TYQZEJFBSMDALE-SSDVNMTOSA-N 480.689 4.734 50 50 JJGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)cc12 1121684 QSMXGTLAZSHDGO-UHFFFAOYSA-N 456.502 4.502 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1 2553600 WSQLZXRGDQCTFX-CVKSISIWSA-N 497.345 4.840 50 50 JJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229851 ZGJJBJONYUPULJ-QMBOSRDASA-N 450.494 4.988 50 50 JJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@H]1c1ccc(F)c(F)c1 1775976680 STHKREUOWAYLFP-XMMPIXPASA-N 455.420 4.950 50 50 JJGA CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2)cc1 829771 QVWYTPTWMQRJRA-UHFFFAOYSA-N 471.623 4.806 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1OC 1474980 FFKGRAJGBJBWBO-JVWAILMASA-N 487.585 4.502 50 50 JJGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OCC 2506275 DORFANNWYGRGPP-WSDLNYQXSA-N 482.172 4.939 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)c2)cc1 2544528 KHHJIHJNBLPROJ-LQKURTRISA-N 460.530 4.875 50 50 JJGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4ccncc4)cc3)sc2c1 19913123 WELKBDFCFSJKGF-LGJNPRDNSA-N 465.918 4.941 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc2c1CCCCC2 20168506 HKXHGOUPYAYATO-UHFFFAOYSA-N 477.677 4.765 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 690955 XNNVKHAXSFQCIR-OYHNWAKOSA-N 453.373 4.964 50 50 JJGA O=C(N/N=C/c1cccc(Cl)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1086755 QOASGPBPABSSIA-LSFURLLWSA-N 452.139 4.765 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2521153 ZLIBJRDDKOBBCY-TVBLMPAISA-N 480.520 4.996 50 50 JJGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 2531524 MQDYVZGDSIXESY-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc(OC)c1OC 2584903 KWSOEJKCGNIBEP-VULFUBBASA-N 454.910 4.709 50 50 JJGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 4230317 PWPFYYIZVLUTTK-ZCTHSVRISA-N 495.583 4.598 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2C)c1 2542737 IVAIFFMNMXRDEO-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1c(O)ccc2ccccc12 2870346 JYVLSXXTPVQQNQ-ZVHZXABRSA-N 454.324 4.567 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 2543245 VKHLNJIWEOXMPF-RDRPBHBLSA-N 468.509 4.987 50 50 JJGA O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229808 YYMLPBLDGKZBPO-DHRITJCHSA-N 487.737 4.851 50 50 JJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 4326949 OUEPLLGCYRIIQI-RDRPBHBLSA-N 490.556 4.795 50 50 JJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 19800316 CNKFHDOSGBGQFI-YZSQISJMSA-N 459.575 4.759 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)/C=C/c1ccccc1 2521182 SVGUVUZGAPSRFW-GMTPBIDESA-N 480.520 4.996 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(F)c3)ccc2[C@@H]1c1c(F)cccc1Cl 1857799638 PSYWOYRZWJADNI-FQEVSTJZSA-N 474.872 4.604 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1c(F)cccc1Cl 1108439 WUXWEBOWCIQDJF-JOCHJYFZSA-N 454.885 4.881 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 2532310 OJMHBZICIGMRIZ-DHRITJCHSA-N 455.283 4.880 50 50 JJGA CCOc1ccc(OC)cc1/C=N/NC(=O)COc1ccc2ccccc2c1Br 1202854 GONZUGXGRWLNIA-ZMOGYAJESA-N 457.324 4.539 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)c1 2531466 PPOJDZFLCOYRSH-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 4229190 QVGBZJOFXIQBAX-MZJWZYIUSA-N 482.323 4.769 50 50 JJGA C/C(=N\NC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1)c1ccc(-n2cnnn2)cc1 25783112 FZGWOCIWKSGHJY-VUTHCHCSSA-N 468.561 4.693 50 50 JJGA CC(C)(C)OC(=O)N1CCC[C@H](Cc2nc(C(=O)NNc3ccc4ccccc4n3)cs2)C1 1875352710 AZECCKREWHWSPF-MRXNPFEDSA-N 467.595 4.638 50 50 JJGA COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2)c(Cl)c(Br)c1O 1131052 OHMNTNAGTIOSPP-MRXNPFEDSA-N 487.741 4.529 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2)cc1OC 2553538 POQXKZKAXCEUKM-STBIYBPSSA-N 484.508 4.605 50 50 JJGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2584719 RJOSMYREHYPJKW-JFLMPSFJSA-N 466.921 4.659 50 50 JJGA N#CC1=C(N)Oc2c(c(C(F)(F)C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cnc2ccccc2n1 2788735 OGOACYLUARFHMD-QGZVFWFLSA-N 484.388 4.688 50 50 JJGA O=C(N[C@@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 71788208 LQPKVCBYFUURJM-QFIPXVFZSA-N 466.515 4.729 50 50 JJGA in-vitro N#CC(=CNc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2049269213 TYDNNLAFKSHDQJ-UHFFFAOYSA-N 461.415 4.709 50 50 JJGA Cc1cccc(NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2)c1C 2794472 WTIXLRJSJOZRKS-UHFFFAOYSA-N 458.381 4.616 50 50 JJGA N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 25781939 GDOFUPDUWBSUND-HXUWFJFHSA-N 454.408 4.918 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1O 2520975 RJGUOIGBJAYDOG-XMMPIXPASA-N 486.597 4.908 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2543311 ZIUSXAAZZMMETM-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 4230248 WYHFDFXVGQOAOA-YYRUFONZSA-N 493.313 4.561 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 13239721 XHSYYHGLPLGVLR-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA C=C[C@@]1(O)CO[C@@H](c2ccccc2)O[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169835275 KXVNNJJXZOISBK-PKZQBKLLSA-N 488.700 4.984 50 50 JJGA Cc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)NC3=C2C(=O)CCC3)o1 2371650 ZGKGQNLZCHGCAB-IZHWHUGBSA-N 459.571 4.728 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)cc1 2520176 NQKVWWGMECYRSS-DHRITJCHSA-N 455.283 4.880 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 8972911 CGZHROLJLBXUJA-MRXNPFEDSA-N 476.783 4.813 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 13898083 RCADDTPRAKTGSX-NLRVBDNBSA-N 486.557 4.783 50 50 JJGA O=C(CCCCCCC(=O)NN=Cc1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2 25691419 OSGSDRIYFUXPAO-UHFFFAOYSA-N 458.606 4.605 50 50 JJGA CC1CCN(c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1 8443292 DMDXHODTFLSVNI-CPNJWEJPSA-N 453.506 4.535 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2OC)cc1 43761117 RPHVEGAKGOQQRS-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(Oc3ccccc3)Oc3ccccc3)c2)cc1 2542447 BNHWZSAOTJBYCB-TWKHWXDSSA-N 496.519 4.849 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccn(Cc4ccc(Cl)cc4)n3)cc2)cc1 4210851 XJNWZRFDWXWFHD-LQKURTRISA-N 472.932 4.876 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OCC)cc1 4335800 MRMRJRZVPUEQCQ-TURZUDJPSA-N 460.530 4.786 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 1211340 CJZPZYURHDNNCK-JVWAILMASA-N 452.543 4.658 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4293075 KBCGZMJZXFOPCP-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2544192 DJQVFEGVEPRMEZ-HQLLRBKMSA-N 453.951 4.960 50 50 JJGA C/C(=N/NC(=O)c1cc2c(s1)C[C@@H](C)CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572676 BTSKPFXSPASMKW-KHIYJPSVSA-N 467.616 4.828 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531534 CGGHKUMVFSLWAP-VULFUBBASA-N 481.346 4.814 50 50 JJGA COc1cc(OC)c(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1Br 1878517 FLVWXUARGFVTDN-CSWGWEJPSA-N 479.374 4.923 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(C)c1 20175695 QSYXQXPVCMOYRT-OAQYLSRUSA-N 495.377 4.985 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 1144156 FYWRHBIRNSBJIB-OAQYLSRUSA-N 454.885 4.881 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 1247400 ZXYPIKRWPDZPSD-WOJBJXKFSA-N 469.950 4.598 50 50 JJGA CCC(=O)NNc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2878876 YAJOOABMZGTGQR-LJQANCHMSA-N 464.610 4.652 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OC)cc1 4295599 GCCCWJOVOYWKCL-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 253534597 NINRIIHMWQEVEA-KCRRLQHISA-N 495.454 4.550 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1c(F)cccc1Cl 1815715 SWSKCBYNIYFUQE-VULFUBBASA-N 465.941 4.969 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1 2543217 ZSRSSZLLVIXWGU-CVKSISIWSA-N 497.345 4.840 50 50 JJGA CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1772491872 VIKPJRPSXXRSGV-ZMPJEFPOSA-N 458.599 4.750 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 2532163 FMYWAJULXHZHLP-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 20175965 FIHSNDGORWKUMU-FSJBWODESA-N 470.525 4.925 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 25539214 DENBOIWHZCRLGH-RDRPBHBLSA-N 481.508 4.547 50 50 JJGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccc(-n4cccc4)cc3)ccc2c1Cl 1121707 VRQQNNYRJYVETL-UHFFFAOYSA-N 484.990 4.763 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OC)cc1 2520064 JNEJTSOCRQFYSM-WPWMEQJKSA-N 462.502 4.563 50 50 JJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2544383 UMAWUCCFHHZAMN-TURZUDJPSA-N 485.565 4.830 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(OCc2ccccc2F)cc1 8553531 WMSCLOSVNGUANL-HSZRJFAPSA-N 482.471 4.742 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 4259021 SWZLDRKAWKRLTH-WPWMEQJKSA-N 491.500 4.765 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4259999 ALTGMVKTECCEDV-VULFUBBASA-N 497.345 4.514 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2nn(C)cc2Br)ccc1OCc1ccccc1Cl 695766 IVDLLDPYBLVDJE-BHGWPJFGSA-N 491.773 4.578 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 1474887 ZHPGXPPOPWEOLB-JVWAILMASA-N 487.585 4.502 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1c(F)c(F)c(F)c(F)c1F 2114940 QFHMBGFOSGPHHF-MRXNPFEDSA-N 492.400 4.784 50 50 JJGA COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 2353842 ZENNNUHSZXDSTL-JFLMPSFJSA-N 475.549 4.633 50 50 JJGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 4156754 JNCHADWQVDBJTK-RVDMUPIBSA-N 452.430 4.567 50 50 JJGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)Cc3ccc(Br)cc3)cc2)cc1 17136205 OTEOTLJBAUGFKX-OGLMXYFKSA-N 494.389 4.722 50 50 JJGA Cc1c(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 731999 OHZUWTPTJFQGHG-LTGZKZEYSA-N 450.498 4.822 50 50 JJGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1 946068 KZKRMMCTFVPGGK-BRJLIKDPSA-N 453.333 4.950 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2OCC)cc1 4347307 DWKNRLAETMPOIN-STBIYBPSSA-N 490.556 4.849 50 50 JJGA C/C(=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccs1 15220054 LPSYGALJUXLTBM-UCQKPKSFSA-N 482.414 4.791 50 50 JJGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1O 16973473 BBUXEHYMTVILHL-JVWAILMASA-N 456.502 4.524 50 50 JJGA CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 28632276 XHXONBWKNJWUJG-QRVIBDJDSA-N 473.348 4.892 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2530329 AOGPJYUXKFDXQJ-MUFRIFMGSA-N 472.472 4.736 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 4354556 XWACUURVXRDTJS-STBIYBPSSA-N 465.509 4.765 50 50 JJGA N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428567 XZQAHBACGNSMOM-SFHVURJKSA-N 471.882 4.523 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c2)cc1 15933930 KRAXBZCIHBHHCS-IPBVOBEMSA-N 462.399 4.603 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cc3ccccc3oc2=O)=C(C#N)[C@H]1c1ccccc1 1204414 AZSVGFXOGRUANO-XMMPIXPASA-N 456.523 4.694 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(SC)cc3)n2-c2ccccc2)cc1 2073395 OVROZKDBVHTQKL-WGOQTCKBSA-N 489.626 4.907 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 2584988 WHMYYVJJKYIHDA-WYMPLXKRSA-N 458.257 4.885 50 50 JJGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1OC 15320080 DIISYXOHCAZDIR-QHCPKHFHSA-N 488.544 4.642 50 50 JJGA CC(C)(C)OC(=O)[C@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21 44138200 WFECRYMZJXNQQC-IBGZPJMESA-N 493.341 4.670 50 50 JJGA COC(=O)/C(=C(/S)C(=O)Nc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100815663 VYNNMOVVCWWADH-UHFFFAOYSA-O 498.564 4.934 50 50 JJGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 2506310 BVWQGISKZAELTO-CVKSISIWSA-N 497.345 4.840 50 50 JJGA O=C(COc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 2520025 SJVMRTNANGYYRF-XEWRIECCSA-N 497.320 4.736 50 50 JJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520246 PQCXFJYAMMAKCP-VUTHCHCSSA-N 478.508 4.820 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584713 VHUUBIXZISBGFW-JFLMPSFJSA-N 482.920 4.739 50 50 JJGA CCOP(=O)(OCC)C(Cl)(Cl)[C@H](OC(N)=O)P(=O)(c1ccccc1)c1ccccc1 3185562 PPFFTVHZPSFMOH-QGZVFWFLSA-N 494.248 4.819 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2199137 AHHUWLPSBWROLM-JJJRJKGESA-N 471.589 4.646 50 50 JJGA Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 5318978 REKKYLTYYVYSHX-OGLMXYFKSA-N 453.546 4.794 50 50 JJGA C/C(=N/NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)c1ccc(NC(=O)c2cccnc2)cc1 17136215 GWTHDGCLJCPHSQ-FDVSRXAVSA-N 490.951 4.596 50 50 JJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1 659831 PHESOESNCSHEQN-QFIPXVFZSA-N 492.421 4.851 50 50 JJGA COc1cc(/C=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC 30860406 FGPYNRYHOPTEOH-DICXZTSXSA-N 460.486 4.802 50 50 JJGA C[Si](C)(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 169816741 HSHJZLRELITFHY-UHFFFAOYSA-N 466.423 4.619 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OCC)cc1 2531928 WFQKUCULWCCVFP-JVWAILMASA-N 450.466 4.606 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 2553704 QLNIHIHNHMMXNG-MFKUBSTISA-N 467.319 4.831 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2OC)cc1 4282174 DKLFTVYZKGQDKH-UNIYSIPVSA-N 498.535 4.994 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 673604 UDVQZDPDZJEDMG-JOCHJYFZSA-N 454.910 4.572 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1 2544309 ROYIVSDGLYEHIX-LQKURTRISA-N 471.900 4.801 50 50 JJGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4260253 ULRQDOZSFLWDKR-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2544265 HCPZRAOUXQIEOW-RDRPBHBLSA-N 481.508 4.547 50 50 JJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccs4)ccc32)cc1OC 1857798621 RKUOCQUZMDGWRE-QHCPKHFHSA-N 498.582 4.531 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 4287208 OVDUARODBHBKEK-VULFUBBASA-N 483.908 4.755 50 50 JJGA N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 20533890 VCXVDNPYPXWVPK-SARUNTBLSA-N 453.464 4.911 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 102282809 QEPDTOZUUGXNAB-VUTHCHCSSA-N 465.594 4.921 50 50 JJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2521719 SMCBANLXQBRKEX-RPPGKUMJSA-N 461.276 4.881 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 4347245 LGMZAMOOWVMSIP-YKGHANDQSA-N 478.932 4.885 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 8817010 DRVJVEBASPOUGQ-FQEVSTJZSA-N 493.639 4.911 50 50 JJGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 20158767 CYINXPUZWKJEPI-MUFRIFMGSA-N 469.497 4.802 50 50 JJGA CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550667 XEEQUKOYYJJEGQ-LJQANCHMSA-N 452.561 4.991 50 50 JJGA C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229701 JSDBUQGGPXSGKY-UUNDHXHPSA-N 493.357 4.986 50 50 JJGA Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)NC3=C2C(=O)CCC3)o1 2371651 ZGKGQNLZCHGCAB-OWJWWREXSA-N 459.571 4.728 50 50 JJGA COc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c(OC)c1 2794791 UBNSEUIHUZYTGA-UHFFFAOYSA-N 483.590 4.805 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 4260414 DBNSYUAAKHXZPX-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1OC 22033334 AOJNEMXJJXPJEB-RIYZIHGNSA-N 459.287 4.947 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 2531574 OHPXZCFERHSWEH-STBIYBPSSA-N 468.509 4.905 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1OC 4347207 DZUSXYVUOUGNQZ-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529677 PYDLEICIZIRFRQ-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 2542979 RGYZEVJLHXTBCT-OGLMXYFKSA-N 454.482 4.927 50 50 JJGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)C(C#N)=C(N)O2 20586372 OIGFYMQQWVCWMC-OAQYLSRUSA-N 450.926 4.821 50 50 JJGA C[C@](Cc1nc2ccccc2s1)(C(=O)NCCSSCCC(=O)O)c1ccccc1 1875388827 RTTKHBDTUJBHQU-JOCHJYFZSA-N 460.646 4.769 50 50 JJGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 22002511 BGAHFSOZGAHKCU-HSZRJFAPSA-N 458.518 4.934 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2)c1 649167 UKHZADYUSPCHEP-JOCHJYFZSA-N 454.910 4.572 50 50 JJGA CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(Br)cc1OC(C)C 1118059 PCGOWUVTAODRFY-LICLKQGHSA-N 450.354 4.973 50 50 JJGA CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc1 2311551 JBUMNIUDMFTUII-OGLMXYFKSA-N 470.602 4.869 50 50 JJGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2543831 ZPXQILLNRQDMHJ-WKULSOCRSA-N 479.964 4.506 50 50 JJGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 8455910 ZTKUVQUCOPWUTN-QHCPKHFHSA-N 458.518 4.934 50 50 JJGA O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1cccc([N+](=O)[O-])c1 2853057 AQLJJOPGDGWWMH-UHFFFAOYSA-N 465.249 4.540 50 50 JJGA O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccco1 8870960 WIMDHHOOLRVOKC-HXLYRSSUSA-N 453.498 4.591 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1738380 IIGGXMZIJSOZCI-LQKURTRISA-N 499.596 4.580 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccc(C)cc2)cc1 2351934 UDLMWNMLAXEQKL-JFLMPSFJSA-N 475.549 4.633 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 2506486 KQMPYVRTSRFVLT-JEWIKEISSA-N 466.921 4.794 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 2531217 CJUBBBQIWYAJBZ-NDZAJKAJSA-N 494.503 4.898 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 2531760 WRQKSRARVPUFDF-MUFRIFMGSA-N 482.492 4.950 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 2543139 VORNJJKYRQKJIS-MFKUBSTISA-N 467.319 4.831 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)c(OC)c1 12402322 YPGUXTXAGZSWJO-OAQYLSRUSA-N 480.546 4.614 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2518536 BGYLULRMEAXMPP-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1OCc1ccccc1 8781313 NGDPVWPPQZVDTC-WYMPLXKRSA-N 453.292 4.521 50 50 JJGA C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@@H](C)C[C@H](C)C1 254134458 OJCKRNPLOZHAOU-TWRHERHRSA-N 489.653 4.636 50 50 JJGA COc1cccc(/C=N/NC(=O)c2scc3c2NC(=O)C3(c2ccccc2)c2ccccc2)c1O 1875289922 YENXCTHNWSNVMA-RWPZCVJISA-N 483.549 4.513 50 50 JJGA COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c1 2839169 XWWIGGVKLBPCCM-ZMOGYAJESA-N 455.308 4.506 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 4261054 CHCOICJQICGVKM-CVKSISIWSA-N 496.361 4.516 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 4282475 WOGGDNUQVBHZEU-STBIYBPSSA-N 484.508 4.605 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360264 UGYYRLCXLUTIGN-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 16345527 CGSAYSXOHPIQLX-UHFFFAOYSA-N 479.533 4.934 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1C 20175709 YEYAUHXDPFRRMR-OAQYLSRUSA-N 495.377 4.985 50 50 JJGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cc(Br)ccc3O)cc12 712323 YTMKYXCZCGFOFZ-SSDVNMTOSA-N 455.337 4.627 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2OCC)cc1 2531813 BNZQNXPLVPSTKL-LQKURTRISA-N 490.512 4.586 50 50 JJGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)c(OC)c1 4355592 NHRWCNUNRLOYPZ-RDRPBHBLSA-N 488.540 4.571 50 50 JJGA CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21 170157501 RBFWXVHGJQDSGG-FGZHOGPDSA-N 478.291 4.526 50 50 JJGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br 728141 WIFOXGQTFLPSKL-RCDICMHDSA-N 481.346 4.675 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(F)ccc1[N+](=O)[O-] 1003363 MVSGRIMSQGEUDQ-HSZRJFAPSA-N 493.491 4.772 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2542559 VPYUDXWHCARPRV-QNZJSASUSA-N 482.323 4.701 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1OC 2566510 HYTBQQLKIDSLOU-LQKURTRISA-N 470.481 4.546 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(C)c2)cc1 4283412 JPVRHTVVKQUPJA-VULFUBBASA-N 497.345 4.514 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 4327245 UHGMWLSQKYABSJ-RDRPBHBLSA-N 488.540 4.571 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OCc1ccccc1 4366184 YIBFKJKGIAFWQG-AEIQVQRHSA-N 483.362 4.954 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(F)c3)ccc2[C@H]1c1c(F)cccc1Cl 1857799639 PSYWOYRZWJADNI-HXUWFJFHSA-N 474.872 4.604 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2543930 VOVDLVUIJXTQIP-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(F)cc1 2336186 FDJXHZDQZQCEDS-VULFUBBASA-N 465.941 4.969 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 102294780 GIHBKLQCXIGQSY-VUTHCHCSSA-N 467.610 4.981 50 50 JJGA Cc1ccc(S(=O)(=O)[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 101055403 PNTGCTVNEJGLKY-SANMLTNESA-N 461.523 4.986 50 50 JJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 1253361 IGDNCXVDSPTNTD-FQEVSTJZSA-N 479.334 4.534 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)cc1 2531819 SJBOYIJQMJETAK-VULFUBBASA-N 485.309 4.970 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1F 1139530 LZGHYKGTANXVCH-HXUWFJFHSA-N 499.340 4.816 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1 1469353 ZRJMJAASOCGHQM-VULFUBBASA-N 475.892 4.981 50 50 JJGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)C(F)(F)F)c1 20158034 UWMFUGPTUZPSMN-IPPBACCNSA-N 453.420 4.965 50 50 JJGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 12376103 HZOZKAUZDODWQJ-LJQANCHMSA-N 453.571 4.510 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1F 12419581 NKBQXSOUNOOVKW-HSZRJFAPSA-N 482.467 4.554 50 50 JJGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccc(C)o2)cc1 8455976 FSSZNWHPUQULNW-BYWZACNXSA-N 497.187 4.577 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 8456178 VRISDGPBHFACNX-DFBJGRDBSA-N 463.497 4.688 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 9715981 DRYBHZTYXBAUIJ-HSZRJFAPSA-N 482.471 4.742 50 50 JJGA Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 705941 ICGQAFXPEFEIKQ-QFIPXVFZSA-N 492.576 4.823 50 50 JJGA COc1cc(Cl)c(C)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 2696740 ZKYYTOCNGFFQGM-CQSZACIVSA-N 459.930 4.507 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3)n2-c2ccccc2)cc1 9520019 OSTHHTYVTAXEGN-NLRVBDNBSA-N 457.559 4.575 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c(O)c1 945760 WMVQSVQINAQVHW-JVWAILMASA-N 457.534 4.554 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 1144965 LRAIKVXNQFXLJE-NRFANRHFSA-N 454.885 4.881 50 50 JJGA O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1I 12292579 MBMFQTNGGLREDF-UHFFFAOYSA-N 487.322 4.949 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CC[C@@H](C)C2 20562786 CSRYDDJYDWRJML-GFCCVEGCSA-N 477.677 4.621 50 50 JJGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@]2(C)[C@H]1CC[C@@]21OCO[C@]12COCO2 253498107 KZKVGEIAXRKFFJ-KAYLMDHISA-N 476.686 4.792 50 50 JJGA Cc1ccc(S(=O)(=O)[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 101055409 PNTGCTVNEJGLKY-AREMUKBSSA-N 461.523 4.986 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 2311742 GXLYURVRGZGUAK-VULFUBBASA-N 464.978 4.989 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 4335836 FAFGEBFSEVOCCR-JFLMPSFJSA-N 468.937 4.855 50 50 JJGA C[C@H](NC(=S)NNC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 2794633 IMMPSARUPKPXRI-INIZCTEOSA-N 484.419 4.898 50 50 JJGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](Sc3ccccc3)c3ccccc3)ccc12 2851785 JLTYOXNWXFHLEC-HSZRJFAPSA-N 475.595 4.953 50 50 JJGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 4282812 LKFSGLSQOYZWLB-WKULSOCRSA-N 499.958 4.846 50 50 JJGA Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1C 8809570 AYZCVIPGTYXMAP-UVHMKAGCSA-N 453.587 4.892 50 50 JJGA COc1cccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1 20274623 VFBLSHJTHWQYQN-UDWIEESQSA-N 476.916 4.880 50 50 JJGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 2552575 NLQYJCYAJSEGIF-TWKHWXDSSA-N 478.504 4.818 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2553000 KHUZXKWKQRRXHH-RDRPBHBLSA-N 465.509 4.710 50 50 JJGA COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 8567397 OEFHAMOXLSPAOQ-QHCPKHFHSA-N 450.498 4.882 50 50 JJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 673424 SCCDJMIVYOCERI-LYZGTLIUSA-N 486.531 4.985 50 50 JJGA Cn1c(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1cccc(Br)c1 252680081 VOAKLMXTXNIWGJ-UHFFFAOYSA-N 499.221 4.794 50 50 JJGA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 1875323225 BTQDMRAHZYZUIB-DRMAHVMPSA-N 485.635 4.548 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O 703452 WGHHJNWPDVVTIP-LGJNPRDNSA-N 478.961 4.679 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1O 1204695 XLEAYTYPLSYQKP-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1cc(O)cc(O)c1 13321571 GXENRDFMYZURNG-BHGWPJFGSA-N 475.726 4.857 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OCC)cc1 4292465 CEPPXCNSRYLQNS-LQKURTRISA-N 496.947 4.886 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1CSc1ccccn1 8567651 QYSNUHCOKGOUDO-JOCHJYFZSA-N 467.554 4.991 50 50 JJGA CC(C)(C)OC(=O)N1CC[C@@H](C=O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 230571332 ZRYJHOBBXAEQHU-PKTZIBPZSA-N 481.709 4.778 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(Br)c1O 1132426 NGBFWWDTYRCVHW-INIZCTEOSA-N 487.741 4.815 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 2531078 WUCKMBMTQMCOBU-LQKURTRISA-N 483.480 4.805 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2)cc1OC 2531548 HMZKVQWDEGVUPM-VULFUBBASA-N 497.345 4.758 50 50 JJGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 8969839 LLDKLBQUKNKEAA-PMACEKPBSA-N 469.950 4.598 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 4347300 FURRSRAYLHHCJT-STBIYBPSSA-N 490.556 4.966 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 8660756 XWGWZIWSLPJTKT-RUZDIDTESA-N 481.581 4.788 50 50 JJGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20159553 PBYRDVRRHFIRAC-LFVJCYFKSA-N 453.589 4.582 50 50 JJGA Cc1cc(C)cc(OCc2ccc(C(=O)N/N=C\c3cc4c(cc3Br)OCO4)o2)c1 20568777 ZAGIJJDACXIQAS-VROXFSQNSA-N 471.307 4.731 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccc(Br)c1 1435208 RMYVOQFIZRGDIA-VULFUBBASA-N 497.345 4.514 50 50 JJGA Cc1nc(C)c(C(=O)N/N=C/c2ccccc2Cl)cc1C(=O)N/N=C/c1ccccc1Cl 1879721 IYHBFKSRBLRUQX-JCAXBWHZSA-N 468.344 4.533 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OC)cc1 4230208 CMBBDJOOZFEXDQ-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc1 2080829 FTPMGGZJHDBLPY-DEOSSOPVSA-N 456.502 4.773 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1 755648 APRJKPZCCRZJTN-JOCHJYFZSA-N 487.362 4.563 50 50 JJGA CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 4287613 IHYXZHHTTGVADK-CVKSISIWSA-N 481.346 4.760 50 50 JJGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1 8455909 ZTKUVQUCOPWUTN-HSZRJFAPSA-N 458.518 4.934 50 50 JJGA CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(I)cc1C 23549755 QDUCNFFQJWXQLX-UFTOLZQXSA-N 475.330 4.524 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2529627 XLVWKKFCUGLYJZ-CVKSISIWSA-N 452.894 4.730 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 2576163 OHBMHWDXEQTHTK-VULFUBBASA-N 483.908 4.755 50 50 JJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4260068 KIJBEPDRDVCQEF-RPPGKUMJSA-N 461.276 4.881 50 50 JJGA CCCCOc1ccc(/C(CC)=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1 8399655 ZDNGYEJDQVMURK-WNSCPLKPSA-N 460.210 4.992 50 50 JJGA COC1(OC)[C@H]2C=C[C@H]1C[C@]2(O)C1=CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1 169837531 ZPGSZQKEKRYMOD-GFGLBCFSSA-N 490.716 4.578 50 50 JJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2543703 LNBKSTXQYMQZNX-MZJWZYIUSA-N 484.339 4.864 50 50 JJGA CCc1ccc2c(Cl)c(C(=O)N/N=C3\C(=O)Nc4cccc(Br)c43)sc2c1 20213291 LXBZLLCCVOBXFA-UHFFFAOYSA-N 462.756 4.966 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402342 DJSQPOPHERIPPE-LJQANCHMSA-N 465.491 4.505 50 50 JJGA COc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 108192597 YSTSQKGUJCQWQB-GOSISDBHSA-N 452.361 4.604 50 50 JJGA Cn1c2ccccc2c2cc(/C=N/NC(=O)[C@@]3(C)CC3(Br)Br)ccc21 2103149 WCIAJCIVTDTNOA-WVCJYUAVSA-N 463.173 4.678 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 1468823 TVPOCTXMXIFCPL-LQKURTRISA-N 468.513 4.515 50 50 JJGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 4229953 PQRRQWMFCBISAR-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 649237 NJOFPKRMHREIHO-JOCHJYFZSA-N 454.910 4.572 50 50 JJGA CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)o2)cc1 695889 CNVWSWHXHHIUTB-CVKSISIWSA-N 452.507 4.601 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 1785912 UOSUPQRZRMLROG-JVWAILMASA-N 471.586 4.802 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)cc1 2531449 JYZRVZJOFAQJMT-CVKSISIWSA-N 497.345 4.596 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 674689 MWDKFUQVEUHGPF-HXUWFJFHSA-N 454.408 4.918 50 50 JJGA O=C(NN(Cc1ccccc1)Cc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 25575850 VKSNARDKGZVDEI-NDEPHWFRSA-N 489.575 4.628 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2518459 OZVCJTDPJLPQDQ-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 8454240 LKSGZOUPABCGDB-MXAYSNPKSA-N 450.336 4.742 50 50 JJGA COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1ccccc1[N+](=O)[O-] 1119839 PSIJMFLEMKBLPM-XSFVSMFZSA-N 450.472 4.521 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccccc2)cc1OC 1243929 WKQRDLNHEOMQNJ-JVWAILMASA-N 487.585 4.502 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297067 DNRYGBJZFODBCY-BRJLIKDPSA-N 461.319 4.561 50 50 JJGA COc1ccc(C(=O)N/N=C\c2ccc(OC)c(COc3ccccc3Br)c2)c(OC)c1 32709464 HVVNQSYDSCUQND-WGARJPEWSA-N 499.361 4.818 50 50 JJGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 2855100 RLDKULCENPAJCJ-UHFFFAOYSA-N 492.475 4.655 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 19816586 IJXNMGMTPWAOIV-UCWRNDPWSA-N 497.686 4.825 50 50 JJGA O=C(N/N=C/c1ccc(Br)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 4482437 GRZDBTBADZLVEU-YDZHTSKRSA-N 479.216 4.574 50 50 JJGA COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 22023087 JWLWFDWRYKRECH-VIZOYTHASA-N 461.455 4.906 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 2529591 BXJKLKYUDHIWCX-AFUMVMLFSA-N 467.865 4.630 50 50 JJGA CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 16688349 FVCNRIOTQLJZIV-MLPAPPSSSA-N 479.714 4.510 50 50 JJGA COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1172076 CLPOFONOYNJWQY-QFIPXVFZSA-N 483.977 4.589 50 50 JJGA COc1ccc2c(c1OC)[C@@H](Br)CCC(Br)(Br)C2=O 1660922 MJUQVXUAECCTNH-QMMMGPOBSA-N 456.956 4.602 50 50 JJGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 4335802 TZGZBSNJJGDJFG-STBIYBPSSA-N 484.508 4.849 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 9374567 CXYUUWMMANKFNT-ZEQRLZLVSA-N 491.613 4.537 50 50 JJGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(-c4ccc(OC)c(OC)c4)n[nH]3)ccc21 5359245 TZQGUYWAHHRSOO-LQKURTRISA-N 467.529 4.986 50 50 JJGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4287391 OIDGCPQVFPZIFO-FRQJIFLKSA-N 453.882 4.745 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccccc2)cc1OC 1245767 CHGLDVNLCZLNPK-AFUMVMLFSA-N 493.614 4.564 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584799 DEGPGQYYXKOTBH-JFLMPSFJSA-N 466.921 4.795 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1 4366440 OMICIDNIZLETAO-AFUMVMLFSA-N 469.335 4.566 50 50 JJGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(F)c4)ccc32)cc1 1857799898 LXDOMANKBWSCNJ-QFIPXVFZSA-N 468.531 4.533 50 50 JJGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 867832 JJIHVHOYENQFIY-JVWAILMASA-N 456.502 4.533 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2544119 WXOZLWGJXFKOSS-SSGLAOATSA-N 496.947 4.884 50 50 JJGA CC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12)(c1ccccc1)c1ccccc1 169744745 SFTSXHOVWHRHNN-ZZXHUEHTSA-N 472.657 4.958 50 50 JJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 19800823 LVHJEBXJYDZXBE-ZMOGYAJESA-N 478.405 4.913 50 50 JJGA C/C(=N/NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 20572707 UINWOWSGTOGSFO-VEILYXNESA-N 472.570 4.736 50 50 JJGA O=C(Cl)NC(=S)Nc1c(Br)cc(Br)cc1Br 2532442 RTFRRVVGXMXERA-UHFFFAOYSA-N 451.365 4.619 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529722 FNOMVUULJYWOFJ-KBKYJPHKSA-N 487.295 4.714 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531424 YCXAPOBLPKZAGQ-VULFUBBASA-N 497.345 4.514 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1 2531451 BSTGJCDJIJBBIN-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 4303211 XZIVQFXRGFZGJU-MUFRIFMGSA-N 479.964 4.588 50 50 JJGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1c[nH]c2ccccc12 20168667 MBYGRKUQNHWNED-UHFFFAOYSA-N 478.599 4.628 50 50 JJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 673418 SCCDJMIVYOCERI-KMRXNPHXSA-N 486.531 4.985 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1784528 HSZKFPUSYOMFBJ-JVWAILMASA-N 471.586 4.802 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 2280380 CSUXMMXSZFREOK-VULFUBBASA-N 491.960 4.528 50 50 JJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 2340232 TVRCOOGCKNCOGR-CVKSISIWSA-N 486.557 4.702 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 2520039 XAUUJZNHLZQQOI-OGLMXYFKSA-N 499.527 4.765 50 50 JJGA CC(C)(C)OC(=O)N1CC[C@H](C=O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 230571214 ZRYJHOBBXAEQHU-XZOQPEGZSA-N 481.709 4.778 50 50 JJGA CCCc1n[nH]c2c1[C@H](c1cccc(OC)c1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 1114219 CXLNRIKJFVVSRO-HXUWFJFHSA-N 495.377 4.930 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 1145325 FDQSGNQDYKAOOL-NRFANRHFSA-N 469.310 4.982 50 50 JJGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4230143 NROUOKIQJXHEPB-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 15745643 SPHTWAPRJAECHR-XGICHPGQSA-N 484.133 4.853 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 8809649 IYFQTAQPVOBIHS-GOSISDBHSA-N 471.336 4.724 50 50 JJGA C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-])c1cc(O)ccc1O 16134255 IUUNZPGENOLCNX-MFKUBSTISA-N 457.527 4.639 50 50 JJGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)c2ccc(C)o2)c1 8456070 LNSRFQCZXYUGCI-KCDOPAPYSA-N 497.187 4.577 50 50 JJGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 25580790 LXWQUXSHMIKWGF-PCLIKHOPSA-N 478.350 4.579 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 43761108 ZKFLXOVGYWLNNR-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)CCCCCCCCC 102293758 QIHMTTFCQQPAEV-PCLIKHOPSA-N 466.420 4.721 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 2542695 RNOAZTJDZOLUGM-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 25580796 QAUWDPDDZBBXMD-CVKSISIWSA-N 451.889 4.609 50 50 JJGA Cc1ccc(C)c(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)c1 1857799965 QZWLEHRQNSNINL-HSZRJFAPSA-N 468.481 4.568 50 50 JJGA COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1COc1cc(C)c(Cl)c(C)c1 2867910 CTXGHDXECJWCRH-RPPGKUMJSA-N 454.910 4.720 50 50 JJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521866 DTNAZOATSYCQLH-CVKSISIWSA-N 479.945 4.764 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1OC 2530561 DTRPWZZYDJHENZ-LQKURTRISA-N 476.529 4.576 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2OC)cc1 2531834 VFGKZNIKTAZVSS-STBIYBPSSA-N 484.508 4.936 50 50 JJGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 8456119 QLOCDERYYYXEIM-MZJWZYIUSA-N 488.375 4.515 50 50 JJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 705444 YJQCZXRVRQKIES-HSZRJFAPSA-N 457.534 4.602 50 50 JJGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 2520985 CNQLMURRNZKPKP-SPLOXXLWSA-N 477.355 4.810 50 50 JJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3c(O)ccc4ccccc34)c2)cc1 13322047 HTVXSGFPDQOUPE-STBIYBPSSA-N 453.498 4.960 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(C(=O)O)cc1 1477430 UJOJBGMOQOVTGP-LGJNPRDNSA-N 478.961 4.679 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccnc1 1823734 USHXPUKHEZNUPW-LGJNPRDNSA-N 483.384 4.879 50 50 JJGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 4518227 IDRIPQHUGSWXGU-TURZUDJPSA-N 499.596 4.801 50 50 JJGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 8456177 VRISDGPBHFACNX-CLOONOSVSA-N 463.497 4.688 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 2506383 GRBGSZJMQJQPCR-STBIYBPSSA-N 468.509 4.905 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1OC 2531139 UQHOVTJVYHBJBZ-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2OC)cc1 4261205 DSYKZBLUWCQACY-RDRPBHBLSA-N 484.556 4.866 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)c(F)c2)=C(C#N)[C@H]1c1cccs1 803946 SPUPLMHBHREQTG-FQEVSTJZSA-N 475.542 4.657 50 50 JJGA C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(NC(=O)c2ccccc2F)cc1 20352439 GGTXFCJKTFWKSF-LQKURTRISA-N 453.901 4.959 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccc(O)c1 1200139 PAEDJSQSIBNCLP-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 2552795 YMJOVIYJKVUVOZ-WKULSOCRSA-N 479.964 4.506 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 1054247 OMFIZQBCCNLUGX-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc(Br)c1 1772350 AIFVDABFXBWQGF-KEBDBYFISA-N 479.450 4.835 50 50 JJGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521869 XVBCJWJZEGPXCA-LGJNPRDNSA-N 481.883 4.924 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc(OC)c1OC 19798532 MUPWCLCUWHVNDQ-LQKURTRISA-N 455.514 5.000 50 50 JJGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2858043 BZAWUDRIEMKRLJ-UHFFFAOYSA-N 486.355 4.866 50 50 JJGA COc1cc(/C=N/NC(=O)c2snnc2C)ccc1OC(=O)c1sc2ccccc2c1Cl 4210082 HCFGINDCDVDNOJ-AUEPDCJTSA-N 486.962 4.706 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2OC)cc1 4293094 QDACWEANIWKASL-TXMABLNQSA-N 496.947 4.884 50 50 JJGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1cc(CN2CCOCC2)cs1 19874236 QAGRJTDLZJKHQU-HSZRJFAPSA-N 481.021 4.538 50 50 JJGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C 20549877 SZKNNQMJOBSWCS-RIYZIHGNSA-N 460.284 4.699 50 50 JJGA CC(=O)Oc1c(Br)cc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 59579177 JXRACJUJKWNYCK-VQHVLOKHSA-N 471.263 4.927 50 50 JJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 102267250 DWRVEFRWFZUXER-JFLMPSFJSA-N 461.990 4.934 50 50 JJGA CO[C@]1(NC2CCCCC2)N(C2CCCCC2)C(F)(F)[C@]1(C(=O)OCCCl)C(F)(F)F 34132841 IXBVWOVWKUVOEB-FXAWDEMLSA-N 476.914 4.781 50 50 JJGA O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(F)(F)C(F)(F)C(F)(F)F 827610921 COQFZQQJNCZFSP-UMDHDWCXSA-N 461.677 4.791 50 50 JJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 1798481 ZUNJWLLICCZYPV-AWQFTUOYSA-N 479.996 4.634 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(O)cc1 2531173 BZYUWAIPRGTGSC-RDRPBHBLSA-N 480.476 4.595 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2543286 OXXRGEGPGHIGSE-STBIYBPSSA-N 465.509 4.765 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OC 1474875 PTXBOOXVCCQQRG-JVWAILMASA-N 487.585 4.502 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2553536 WGNFMEXEEVRSTN-CVKSISIWSA-N 497.345 4.840 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 2857310 LHTURYYRWJKIPM-UHFFFAOYSA-N 498.586 4.748 50 50 JJGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc(O)c(Br)cc1Br 2903744 OCITYEWFEQLUAX-SSDVNMTOSA-N 462.141 4.763 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 12250236 OWMQOCDQEFPKSN-QHCPKHFHSA-N 451.979 4.675 50 50 JJGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 13208771 VTMZXNXYNQYHHD-MZJWZYIUSA-N 492.988 4.767 50 50 JJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 2329952 OPKZGXCDRPCFEF-WPWMEQJKSA-N 470.602 4.551 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CCCCCC2 20168485 KHNVJOSKDWDOAK-UHFFFAOYSA-N 451.639 4.585 50 50 JJGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1472167 FIQWIVJJQNWCHB-HXUWFJFHSA-N 452.341 4.924 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 2329852 NQFXWTHUTORVDU-AFUMVMLFSA-N 492.948 4.738 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1OC 2553567 KODZIBRKCSCDER-LQKURTRISA-N 470.481 4.546 50 50 JJGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 9012357 UPDBEIQTSGZDFP-OAQYLSRUSA-N 450.926 4.821 50 50 JJGA N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CC1 22239159 RAHQBTXAXCGWGB-OQLLNIDSSA-N 476.168 4.976 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1 4303274 PAUBNBZQHZYYLX-NDZAJKAJSA-N 495.583 4.979 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)ccc1O 1109173 RBNVQJJEALABQS-OAQYLSRUSA-N 484.325 4.607 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1 2543070 HUTHECUCWCELJQ-CVKSISIWSA-N 482.334 4.616 50 50 JJGA COc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(OC)c1 16345364 GUKHYQJYLPOAFH-UHFFFAOYSA-N 477.542 4.660 50 50 JJGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccc(Br)cc1 1074780 XIVLPQPSTOTMTO-AFUMVMLFSA-N 477.366 4.796 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2529669 MUIDAWLDAJUOGO-BRJLIKDPSA-N 488.283 4.893 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2530548 UMQOEJYTDITWAD-DCMOEJRUSA-N 466.921 4.876 50 50 JJGA COc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 4335721 IWYXTUZAFOUCPO-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OCc4ccccc4)c3)[nH]n2)cc1 4517980 SYGDEWGYTVCYMC-OGLMXYFKSA-N 470.529 4.827 50 50 JJGA N#CSc1ccc2nc(NC(=O)[C@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)sc2c1 3106411 BJPRFNQXRVHFFV-AWEZNQCLSA-N 485.805 4.977 50 50 JJGA O=C(N/N=C/c1ccccc1O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1875289794 OWUSRQHTLNAAMB-JFLMPSFJSA-N 453.523 4.504 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccc(Cl)cc2)cc1 863890 PRNFWMNMUSLVIO-VULFUBBASA-N 462.966 4.534 50 50 JJGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)C(C#N)=C(SCC(=O)OC(C)C)N1 16512323 JJCWCJCFNREOTN-HSZRJFAPSA-N 465.575 4.916 50 50 JJGA CC(C)(C)NC(=O)Nc1ccc(C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccc3)n2)c(O)c1 2325879479 WVRNYBVVXRWDJD-UHFFFAOYSA-N 488.470 4.545 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2543746 IIMHGMHWNISSBS-STBIYBPSSA-N 465.509 4.765 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 4259664 NJWDOPOBGWQMAC-WPWMEQJKSA-N 491.500 4.522 50 50 JJGA O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1 8456027 OTKUZEUHNOIITO-GATIEOLUSA-N 483.318 4.602 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 8818387 QNFLEEXXVGIKOT-NLRVBDNBSA-N 486.557 4.783 50 50 JJGA Cc1ccc(S(=O)(=O)N/C(C#N)=C/[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100296659 ODQBWNJKWQTZAY-ZNTNEXAZSA-N 483.553 4.632 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 674687 MWDKFUQVEUHGPF-FQEVSTJZSA-N 454.408 4.918 50 50 JJGA N#Cc1c(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)sc2c1CCCC2 4209266 COWVTEKEEUOZQZ-RWPZCVJISA-N 452.539 4.894 50 50 JJGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC(C)=C1C(=O)OC 1142559 YVPWKWMJLNWWQS-XMMPIXPASA-N 477.586 4.635 50 50 JJGA C=C(C)Cn1c(SCC(=O)N/N=C(\C)c2ccccc2)nnc1-c1ccc(Br)cc1 19825941 VTSPXRBSNJMBOZ-LFVJCYFKSA-N 484.423 4.916 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc1OC 1475049 IMOUPZVMRFDWDM-JVWAILMASA-N 487.585 4.502 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)ccc1O 16975461 MRRLELUELBZXNG-MZJWZYIUSA-N 476.920 4.787 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1OC 2530554 FNLPGCRFIDAMKA-STBIYBPSSA-N 484.508 4.605 50 50 JJGA Cc1cc(C)cc(NC(=S)NNC(=O)c2cc(Br)c(Br)s2)c1 20345390 SAKLUBOQXZPEIT-UHFFFAOYSA-N 463.220 4.521 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 841804 QCNPAOSSJSJQNP-OAQYLSRUSA-N 453.589 4.688 50 50 JJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O 102295214 PYJLTFFMNOFOIC-BUVRLJJBSA-N 454.409 4.642 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(OC)cc2)cc1 2531851 XQCIAFBHCUIUNV-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2570261 JZDCOOFFFIBRHH-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 4260815 OOBZQMXUWIMXPO-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)cc1 12402312 BWHQQJMKOIMYOA-HXUWFJFHSA-N 450.520 4.606 50 50 JJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 4292815 VPCBGWFOMSRREJ-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 8404602 XLGGEELNWHEASI-HSZRJFAPSA-N 457.534 4.602 50 50 JJGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 12428758 UAWOYVICXLWTQP-IBGZPJMESA-N 471.561 4.650 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccc(Cl)cc2)cc1 2327540 XFKDYPJQBWNIPF-MZJWZYIUSA-N 495.967 4.978 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2518584 QWDBKXNBNVDVJV-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCC)cc2OC)cc1 4335648 BGRJAMZYSMEDGR-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccccc1 2529689 KSXQGROJYHKPGD-VUTHCHCSSA-N 464.477 4.889 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 2542786 PAQFJCQYXOZASJ-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)cc1 2531838 OFRDGVSGUFLWKV-AFUMVMLFSA-N 483.318 4.537 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4282628 NBIRTWSSUBFHHC-CCVNUDIWSA-N 475.911 4.729 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2530600 WUIZOWFKIDKXRN-BRJLIKDPSA-N 459.285 4.691 50 50 JJGA CN(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 220980652 SSLFPCYVFWHVKA-MFKUBSTISA-N 452.352 4.858 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 2531788 BQJDBLNEBHYBJU-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1 15799337 IPMLVLALJSWMRR-IGMYVHPYSA-N 461.562 4.705 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(Br)cc1OC(C)C 20175489 TZNXZRUOARDEAM-CXUHLZMHSA-N 487.350 4.952 50 50 JJGA COC(=O)c1ccc(CN(C(=O)OCc2ccccc2)N(C)C(=O)OCc2ccccc2)cc1 214474108 HSTSBUGWOGSMJG-UHFFFAOYSA-N 462.502 4.796 50 50 JJGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 705503 CMPHLAQKOKFBJZ-FQEVSTJZSA-N 465.307 4.662 50 50 JJGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4230315 WIRLNRIYCLRJAV-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA CCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 4360283 DKYORBMQMILACX-MTDXEUNCSA-N 460.530 4.786 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 13895699 BFRNZPSJUBVNSL-WGOQTCKBSA-N 477.977 4.926 50 50 JJGA N#CC1=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428511 DOJXAFXTXHDVIG-SFHVURJKSA-N 471.882 4.523 50 50 JJGA O=C1OC(=O)[C@@H]2CC3=C(CC4=C(CC5=C(C4)CC4=C(C5)CC5=C(C4)C[C@@H]4C(=O)OC(=O)[C@@H]4C5)C3)C[C@H]12 137280617 CPWLEKQRKPIKRA-POYMRFPPSA-N 484.548 4.864 50 50 JJGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 2506278 LBCKZROANHAVMC-MFKUBSTISA-N 467.319 4.831 50 50 JJGA CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2954066 SZRZUAITBANRQU-STBIYBPSSA-N 481.637 4.671 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 13239204 OPIBHXJGRNQBGH-JFLMPSFJSA-N 474.586 4.653 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 1468939 XSNDHDQFSNJIKO-VULFUBBASA-N 475.892 4.981 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2OCC)cc1 4292861 QJTZEGNAWJFTQO-RDRPBHBLSA-N 490.556 4.795 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1 755647 APRJKPZCCRZJTN-QFIPXVFZSA-N 487.362 4.563 50 50 JJGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3025014 GYVZSSBNSPSVDO-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)c1 4283599 IEPZYFUXZQEVPX-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NNC(=O)c1cc2ccccc2cc1O 919809364 MLDHOZGKINFYDQ-UHFFFAOYSA-N 479.492 4.548 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2518591 ATEIKIQUWZETOY-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 20587058 ICNIBQNMSZJXDY-OBDYRVMHSA-O 454.550 4.705 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccc(OC)cc1 639174 ABAKBJKQBGMFLZ-RTBURBONSA-N 477.369 4.673 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3)n2-c2ccc(C)cc2)cc1 1295032 BEPQKJBGKOUYBC-JVWAILMASA-N 487.585 4.502 50 50 JJGA COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 9512628 RFMJDFNHQPVIPV-QHCPKHFHSA-N 495.988 4.783 50 50 JJGA CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc12 252679971 UFTPDDPXKRJJGA-UHFFFAOYSA-N 499.567 4.772 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282547 XWVNHLLEOYMYAK-IXORVSQSSA-N 485.309 4.725 50 50 JJGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 20344838 UYVKMANIQJGAGG-XDHOZWIPSA-N 462.527 4.976 50 50 JJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 1253360 IGDNCXVDSPTNTD-HXUWFJFHSA-N 479.334 4.534 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229893 BFNYTIQLAVAHCU-BSOFKYSMSA-N 493.357 4.986 50 50 JJGA C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(I)c1 12343154 DUSKNANVCKDSGF-UDWIEESQSA-N 458.752 4.718 50 50 JJGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 1775976626 ODQGWGIEAHEPDD-OAQYLSRUSA-N 470.909 4.773 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2)cc1 2391522 PFOQXGCRIORBBI-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA O=C(N/C(=C\N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102311064 GCGJZAYCYAEVNI-QCWLDUFUSA-O 493.567 4.542 50 50 JJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 1775976117 JPNDDBMUAHIRIZ-QHCPKHFHSA-N 462.527 4.983 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2OC)cc1 4259427 WNBYXIYIHFEVCP-RDRPBHBLSA-N 468.509 4.769 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4303029 COSUHQPQKZZNEC-STPJHCLOSA-N 453.336 4.946 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4303032 COSUHQPQKZZNEC-SCELWYEFSA-N 453.336 4.946 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC 9019545 FOYVLWFGEJEEOR-OVVQPSECSA-N 487.585 4.584 50 50 JJGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2518718 LJCJBFAQNAFSGY-UVHMKAGCSA-N 486.355 4.978 50 50 JJGA C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 15934168 ZSVJHZBBJZICQN-LGJNPRDNSA-N 470.298 4.700 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1COC(C)=O 689206 QBPMCDMKGWFLKR-MUFRIFMGSA-N 483.524 4.746 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 2326219 QWFOKSWVRMMUSC-FOKLQQMPSA-N 464.378 4.523 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)c1 4303166 XFLUISUZVMFUAV-AEIQVQRHSA-N 481.346 4.894 50 50 JJGA CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(O)cc1 8916834 PCJPJSPFQADDOH-XTCLZLMSSA-N 457.559 4.663 50 50 JJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(F)cc1 2331418 KGTLRCJMRDPCET-ZVBGSRNCSA-N 452.989 4.865 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 4230259 HFBZWZITCPQYAT-XQXQFYKFSA-N 467.294 4.971 50 50 JJGA COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 9512621 RFMJDFNHQPVIPV-HSZRJFAPSA-N 495.988 4.783 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 649238 NJOFPKRMHREIHO-QFIPXVFZSA-N 454.910 4.572 50 50 JJGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc2ccccc2nc1Cl 2941824 NEAAWDOLJRVMRA-LSFURLLWSA-N 453.123 4.833 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2584998 WXXQGWRVNOQOSG-BRJLIKDPSA-N 488.283 4.893 50 50 JJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 4347136 ZBSOIBOLPGHHAV-BATDETSNSA-N 458.901 4.896 50 50 JJGA COc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc(OC)c1OC 25584071 ZTDPIGVKVGFNKI-LQKURTRISA-N 470.529 4.637 50 50 JJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)cc1 5344784 WEWSBBJEKNXTIV-VULFUBBASA-N 461.465 4.579 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4372738 KCPBMPSBMDIHST-SCELWYEFSA-N 453.336 4.946 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1Cl 2518586 MVPDORJTSXFIIW-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)c1 2520286 KYPSYTSURWKRLG-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2530431 UMZCMVRNLGWTSN-JFLMPSFJSA-N 457.921 4.590 50 50 JJGA C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229702 JSDBUQGGPXSGKY-PBFIBNSASA-N 493.357 4.986 50 50 JJGA COc1cccc(NC(=S)NNC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)c1 2795601 RGBWAOYJKYQZTQ-UHFFFAOYSA-N 471.966 4.568 50 50 JJGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1 19850022 GAIAXDWQPXPQPY-XHLNEMQHSA-N 461.009 4.665 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O 1440706 BLEUWHRZWJWTEP-BTYIYWSLSA-N 453.373 4.964 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5297108 OLFVGPORIHJEHD-VULFUBBASA-N 491.345 4.888 50 50 JJGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 12384906 CIYHTLCMBBFCNJ-OAQYLSRUSA-N 487.362 4.563 50 50 JJGA CCOc1cc(C(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC 22063932 PMUJQBLBAPPMKK-MUXKCCDJSA-N 481.471 4.538 50 50 JJGA COc1cc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)ccc1OCc1ccccc1 32614448 DHSXMRQFCGZTTP-WIUSZDIKSA-N 468.509 4.718 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc(OC)c1OC 867908 DUFFXGSYZNUNRJ-JVWAILMASA-N 456.502 4.533 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 4347347 WXOZLWGJXFKOSS-TXMABLNQSA-N 496.947 4.884 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 43761055 ACQBHEVSFMNHEM-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA N#C/C(=C\c1ccc(COc2ccc(Br)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 20478711 GOEPJWFOSGZVLW-MHWRWJLKSA-N 481.302 4.573 50 50 JJGA CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1 72107115 JRGWJJXUVWWGDA-QGZVFWFLSA-N 463.965 4.950 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2529649 CZXBDWAHSTVAQA-BRJLIKDPSA-N 488.283 4.893 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4230085 LDOASZKTBHLUNC-PCLIKHOPSA-N 452.532 4.675 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1OC 13208778 UNJCGIHWNSQNGU-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA C=CC[C@H]1O[C@@H](C(=O)OC)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169834772 CFEAPCZVVYLDNK-ITAPOITPSA-N 476.689 4.640 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1OC 2388500 RBRGNKHQHPTSCM-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(Cl)c1 2906632 QWZGDWIBODRAPR-LGJNPRDNSA-N 485.009 4.967 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)cc2OC)cc1 4282714 HUDBEZSGXNILOX-MUFRIFMGSA-N 490.556 4.884 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 1144967 LRAIKVXNQFXLJE-OAQYLSRUSA-N 454.885 4.881 50 50 JJGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CCC2 2501760 CTDXBFYIFIHKHE-IBGZPJMESA-N 452.561 4.991 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 2521215 QFLKMALCKKAINC-OBFPQIRLSA-N 456.498 4.643 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2674337 JSPVRLVCDHJPMQ-JZCUADNKSA-N 467.319 4.586 50 50 JJGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=N/NC(=O)c2cn(C)c3ccccc23)cc1 17465491 JYCUTFVOIFEWQJ-MUFRIFMGSA-N 463.541 4.863 50 50 JJGA CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc2c1CCCC2 252444373 NARMTDWMZCBEES-KBJGYGKASA-N 482.440 4.901 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OCC)cc1 2531925 JZUXAZKRPPLWEZ-WPWMEQJKSA-N 462.502 4.563 50 50 JJGA Cc1cccc(NC(=O)CSC2=C(C#N)C3(CCC(C(C)(C)C)CC3)[C@@H](C#N)C(=O)N2)c1 16975676 AFPZXAQYFMACNU-HTHJYTGDSA-N 450.608 4.894 50 50 JJGA CCN(CC)CC(=O)OC1CCN(c2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)s2)CC1 117637907 STLNUMIUXISGQQ-HMMYKYKNSA-N 483.634 4.683 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1141424 BGYKCARKRUGAPC-OAQYLSRUSA-N 451.866 4.642 50 50 JJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 1775976879 RARRXOWZLSNJIP-AREMUKBSSA-N 486.524 4.930 50 50 JJGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 2522026 KNVXWPMBAFLLAR-WYMPLXKRSA-N 484.423 4.835 50 50 JJGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(COc2ccc3ccccc3c2)o1 20534205 KVLRMAHZMDQGKP-UHFFFAOYSA-N 465.962 4.974 50 50 JJGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1472168 FIQWIVJJQNWCHB-FQEVSTJZSA-N 452.341 4.924 50 50 JJGA N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12375404 YXSJTPYWULGTHP-SFHVURJKSA-N 460.437 4.980 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OCC)cc1 2531873 UEWRNBGRQGPEMG-WPWMEQJKSA-N 462.502 4.563 50 50 JJGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 2542752 CCKKNGJVSLQRIZ-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1cccc(Br)c1 4326703 XTNZAIUBDDJFBU-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 1775976116 JPNDDBMUAHIRIZ-HSZRJFAPSA-N 462.527 4.983 50 50 JJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1 2553182 ZBSOIBOLPGHHAV-SWOYFSSUSA-N 458.901 4.896 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4231844 MPNHRHODKRBLLH-NLRVBDNBSA-N 465.575 4.739 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(F)cc3)n2-c2ccccc2)cc1 4518179 SAQPVOKQLGLXFH-WPWMEQJKSA-N 475.549 4.715 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 102295203 WLZHOTNKNVLPSV-YZSQISJMSA-N 457.596 4.674 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2584790 BHOYPSQUMCZTHO-JFLMPSFJSA-N 466.921 4.795 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 1144129 NKHMIVCMQRJEDI-HXUWFJFHSA-N 457.317 4.831 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(CC)c2)sc2c1CCCCCC2 20191872 MTYGXYZLTCYUSH-UHFFFAOYSA-N 465.666 4.839 50 50 JJGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 25504633 WAUMOWGOBGJMJV-ZVSFRMAHSA-N 460.921 4.736 50 50 JJGA CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 27550671 XEEQUKOYYJJEGQ-IBGZPJMESA-N 452.561 4.991 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1F 1139851 MZRRERWRLBVHMD-NRFANRHFSA-N 499.336 4.991 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2OC)cc1 4259800 ZMFAGCZUGIMGAC-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(OC)cc1 2340986 WDIPZPWANGKYIE-FOKLQQMPSA-N 464.378 4.523 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(C)cc1 2506373 QPPBEHNKUZBDPS-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2531118 MFEZDXPNGLEXIT-JVWAILMASA-N 469.453 4.740 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)c2)cc1 4360302 NQYOWMPUUCIFED-VFKGCLKRSA-N 468.509 4.985 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C2CCCCC2)cc1OC 2542870 PSJOBVAAKKBNNF-AFUMVMLFSA-N 489.366 4.716 50 50 JJGA Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)c(Br)o1 682776 LZSUOGPQINJTTQ-UFWORHAWSA-N 453.090 4.532 50 50 JJGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 1003288 LPTNHXHMBVTMKR-NRFANRHFSA-N 474.435 4.548 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1OC 1474889 TZCHBEZVWMRPTO-JVWAILMASA-N 487.585 4.502 50 50 JJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 5350783 GDWONWYOQSRUEV-OVVQPSECSA-N 473.558 4.934 50 50 JJGA C/C(=N\NC(=O)c1ccccc1COc1ccc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1 25783348 UAYWFEWSFZEYMR-JFLMPSFJSA-N 481.343 4.702 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 1434299 GGSQQPXWXGPZOB-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1 4327409 RJRCLRYMPBALDK-DHRITJCHSA-N 486.753 4.770 50 50 JJGA COc1ccc(CCC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 20158115 WSKMIXZVQPKJAU-CVKSISIWSA-N 484.350 4.776 50 50 JJGA Cc1cc(C)c(-c2noc(C(=O)NNc3ccccc3)c2C(=O)NNc2ccccc2)c(C)c1 214076696 MNGNUHRAFYOUCQ-UHFFFAOYSA-N 455.518 4.781 50 50 JJGA Cc1ccc(C(O)(C(=O)NN(C(=O)c2cccnc2Cl)c2ccccc2)c2ccc(C)cc2)cc1 720625 TVRWXHXNTSMYHC-UHFFFAOYSA-N 485.971 4.966 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 4282447 XQGWCIBFHQCRMU-LQKURTRISA-N 460.530 4.875 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1OC 2529708 CXTHNMWLZRIDTI-MUFRIFMGSA-N 490.556 4.884 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 4282743 KQMPYVRTSRFVLT-VSWHYLHOSA-N 466.921 4.794 50 50 JJGA COc1ccc(OC)c(-c2cc(C(=O)NNC(=O)Nc3ccc(C)cc3)c3ccccc3n2)c1 2764017 RCLJKIOVYKOBKO-UHFFFAOYSA-N 456.502 4.694 50 50 JJGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4261085 RWUQBNGDEMXHMV-RPPGKUMJSA-N 489.746 4.988 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 4230190 SWRPLSPZLCTOQS-AEIQVQRHSA-N 481.346 4.894 50 50 JJGA C/C(=N\NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)s2)c1 8453675 QTEMMZBBQUNOEV-XHCMJAMOSA-N 486.937 4.870 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccs1 1050864 UKGQYXMUNNFCGB-YDZHTSKRSA-N 453.980 4.892 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2531850 RVHGOISVGQQAQE-OCSSWDANSA-N 499.498 4.686 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(C)c2)cc1OC 4287453 NWTJGTZEFRSNEU-OCSSWDANSA-N 498.535 4.914 50 50 JJGA Cc1cccc(NC(=O)CSC2=C(C#N)C3(CCC(C(C)(C)C)CC3)[C@H](C#N)C(=O)N2)c1 9110716 AFPZXAQYFMACNU-WHEQYPTASA-N 450.608 4.894 50 50 JJGA O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccs1 2895701 IROIIQCNMISTDD-UBKPWBPPSA-N 497.006 4.565 50 50 JJGA C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118920445 NINRIIHMWQEVEA-LQYZAJCDSA-N 495.454 4.550 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2F)cc1OC 2553745 PRINHIYAUBTGFU-MUFRIFMGSA-N 472.472 4.979 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584788 BLUNMTJGHFPFDL-CVKSISIWSA-N 452.894 4.730 50 50 JJGA C/C(=N\NC(=O)c1ccc(Cl)cc1O)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20158990 BSHICDDTKGZYIA-GESPGMLMSA-N 499.770 4.971 50 50 JJGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2330416 SSNLBASLTFNUFF-WPWMEQJKSA-N 472.618 4.813 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1 4295889 YATFNRDJIXDINV-CVKSISIWSA-N 452.894 4.730 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 4330798 RQCDRYMRXJWVGX-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)cc1 2519910 QJVZLPLYBOZNIP-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)cc1 2552569 FAOVKWLUZVEUNO-WGOQTCKBSA-N 481.346 4.760 50 50 JJGA O=P(CC[P+](CCO)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 100291021 RGBBKNGXTSINCS-UHFFFAOYSA-N 459.486 4.661 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccc(Br)c1 1055742 PGDCKYKFNBNYJJ-VULFUBBASA-N 497.345 4.514 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 2543995 RJECNZXRFGPNKI-CVKSISIWSA-N 452.894 4.730 50 50 JJGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1Cl 8995158 LQQQACJPDLKLCA-HNNXBMFYSA-N 476.783 4.813 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715947 FEHUJYHTITZTGF-VWLOTQADSA-N 487.625 4.810 50 50 JJGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2676264 JOARSZKBOHZNKS-UHFFFAOYSA-N 471.314 4.751 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 4229943 JHOHEOKMEGXNOW-JVWAILMASA-N 493.357 4.926 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 4296337 ZMPDQTIBYHKJTL-CVKSISIWSA-N 452.894 4.730 50 50 JJGA O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1sc2cccc(Br)c2c1Cl 20493834 MTJHGBNZJLDQDQ-UHFFFAOYSA-N 452.692 4.543 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1 4259458 FMJDXXSZDIKDAG-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1cccc(OC(=O)c2ccco2)c1 16183114 RZCSUQFIEBMEAI-IBGZPJMESA-N 458.861 4.760 50 50 JJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cc2ccccc2nc1Cl 2597754 FAETUZAPTVAHRQ-KIBLKLHPSA-N 457.342 4.636 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4260728 PXNPXNNUCCGMBB-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA COc1cc(C(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc(OC)c1OC 32465067 YBFVENNWNRIPMX-RHANQZHGSA-N 484.508 4.849 50 50 JJGA O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68575980 HNUGEBWRJPUIKS-MRVPVSSYSA-N 451.144 4.535 50 50 JJGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2544390 ASTIMLHIGANNLU-MMDHUZEPSA-N 453.882 4.745 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(C)c2)cc1 4259462 ASQTXFJNKZCHIE-VULFUBBASA-N 481.346 4.814 50 50 JJGA O=C(N/N=C\c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)c1ccc(Cl)cc1 263639948 PNLHNORRQFKKFF-DICXZTSXSA-N 453.892 4.757 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1OC 2585025 CKEFXYXKGUPPHE-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4283034 CTCKOGIUNYTQAS-WQEJZQBCSA-N 473.348 4.647 50 50 JJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 1775976884 RARRXOWZLSNJIP-SANMLTNESA-N 486.524 4.930 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(OC)cc1 2078356 CTDTXDQOWHPDQN-CVKSISIWSA-N 497.345 4.840 50 50 JJGA C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OCC 2185933 HUGVKPHGBHBQIN-YDZHTSKRSA-N 463.397 4.796 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1OC 5296755 OXZHNYOKUFZLGH-MTDXEUNCSA-N 470.529 4.827 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 13239301 XBCBSGYQHPPVKE-DHRITJCHSA-N 479.949 4.889 50 50 JJGA Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c(C)c1 15930534 LGQVOHDUNOIQPE-UHFFFAOYSA-N 480.362 4.734 50 50 JJGA C=C(C)Cn1c(SCC(=O)N/N=C/c2sccc2C)nnc1-c1ccc(Br)cc1 2385186 VCEUMMQYCRYSFC-LSHDLFTRSA-N 490.452 4.896 50 50 JJGA CC(C)(C)OC(=O)N1CC[C@@H](C=O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 230571253 ZRYJHOBBXAEQHU-DHIUTWEWSA-N 481.709 4.778 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2C)cc1 2544018 QGXGHEJLKDZFAS-VULFUBBASA-N 497.345 4.514 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc([N+](=O)[O-])c1O 35191364 MVFGQGIBPPACDD-INIZCTEOSA-N 488.287 4.614 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccnc1 1474873 VFHUZHPKEGULNE-WPWMEQJKSA-N 476.993 4.924 50 50 JJGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)cc1 2544392 OYSGTVAHEDVSML-ZVHZXABRSA-N 470.310 4.943 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1 2532170 SBQUYWBNPZWKDG-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1 239203385 SGTHSTZLBWKEHP-SQDPYLFBSA-N 456.336 4.605 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl 4261066 GNRYNVBXWNEVQB-JFLMPSFJSA-N 457.921 4.590 50 50 JJGA CCCOc1ccc2nc(Cl)c(/C=N/NC(=O)c3cc(Br)ccc3O)cc2c1 2899201 YMOMSFHZRDTPMD-FOKLQQMPSA-N 462.731 4.909 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1OCc1c(F)cccc1Cl)c1cc(O)cc(O)c1 13321705 VEIYVMTWXMVXDY-KIBLKLHPSA-N 493.716 4.996 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 1145027 SZROCEFMLBQNKD-QFIPXVFZSA-N 481.346 4.851 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 1468783 TWZAFSGEODYFFZ-VULFUBBASA-N 475.892 4.981 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 1826853 JLHGWBJCOYOYMS-JFLMPSFJSA-N 475.549 4.633 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 2531530 IJVHEFRVDVZQNL-MUFRIFMGSA-N 469.472 4.595 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1cccs1 1215020 JCOYTBAZWCVPJD-VULFUBBASA-N 466.559 4.937 50 50 JJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n[nH]2)ccc1O 1468778 FCTRTLZSORPWSM-MZJWZYIUSA-N 476.920 4.787 50 50 JJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1)c1ccc(Br)cc1 4282600 XVUODKMGLQXTBF-SSDVNMTOSA-N 492.123 4.788 50 50 JJGA CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 4296205 VWZUCHSYCAMKSU-VATWTLTGSA-N 487.339 4.795 50 50 JJGA COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 9761331 LBFLCPVHPLLUQD-OAQYLSRUSA-N 488.613 4.749 50 50 JJGA [N-]=[N+]=Nc1ccc(C(=O)NCCSSCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(O)c1 15020111 QQZOUYFHWKTGEY-UHFFFAOYSA-N 474.528 4.523 50 50 JJGA in-vitro COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CC[C@H](C)C2 20562783 CSRYDDJYDWRJML-LBPRGKRZSA-N 477.677 4.621 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 43761118 NZADAEKZBXGIQI-UXHLAJHPSA-N 495.535 4.855 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1Cl 4258742 GZNJDNAMNFNFEJ-CCVNUDIWSA-N 475.911 4.729 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 2585067 UGCBYWCSESJIIW-MFKUBSTISA-N 467.319 4.831 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2521109 VVZXCKHQWCHMRX-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O)c1ccc(Cl)cc1 2530379 FQKHKPPNTBRMNS-WYMPLXKRSA-N 473.710 4.791 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4372737 KCPBMPSBMDIHST-STPJHCLOSA-N 453.336 4.946 50 50 JJGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)C(C#N)=C(N)O2 20586374 OIGFYMQQWVCWMC-NRFANRHFSA-N 450.926 4.821 50 50 JJGA O=C(O)C(=O)[C@H](C(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101022875 SHRKZGMZSSBMON-MHZLTWQESA-O 487.899 4.539 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 4209790 CZTUQKWRZUKGBY-KHSOTRJGSA-N 496.304 4.674 50 50 JJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 4282805 KTJULSUQUUZLSZ-RWPZCVJISA-N 487.947 4.599 50 50 JJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccccc1Cl 4287137 OHNJNLOGAHXIKF-BATDETSNSA-N 458.901 4.896 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(F)ccc1[N+](=O)[O-] 1003362 MVSGRIMSQGEUDQ-QHCPKHFHSA-N 493.491 4.772 50 50 JJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1 4231853 DDPHZZVTSYVHGU-ZMOGYAJESA-N 462.358 4.867 50 50 JJGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccccc1F 20274645 SXYDDICRAWYQHB-CPNJWEJPSA-N 460.461 4.730 50 50 JJGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2542936 LNKUTZUELKOLDX-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccs4)ccc32)cc1OC 1857798620 RKUOCQUZMDGWRE-HSZRJFAPSA-N 498.582 4.531 50 50 JJGA COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1COc1cccc2cccnc12 2090348 RKMJZNZKDYHOLQ-RWPZCVJISA-N 470.485 4.803 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2532033 KNBVCVDVBLEDMU-LXDNYNHRSA-N 482.323 4.701 50 50 JJGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4360088 FIYFWYRWQKMHQF-BRJLIKDPSA-N 488.283 4.650 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 863892 NBZIRGLSRINZNU-ZMOGYAJESA-N 451.939 4.732 50 50 JJGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 1071389 NOMDEXMTWRZEKZ-UHFFFAOYSA-N 469.379 4.669 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccc(F)cc1 12419384 NBGMNDJAHBQDGK-HSZRJFAPSA-N 482.467 4.554 50 50 JJGA CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 15769366 CLJDEZPHXACMML-ROTLSHHCSA-N 474.300 4.519 50 50 JJGA CC[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc2ccccc2c1 2747664 SEVCWJANJYHQSP-RXULLKCLSA-N 457.315 4.785 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc4ccccc34)c2)cc1 2543121 ROXUKSNTXCWAQP-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 4366326 DQHRPCVHJUNBQE-KSXCTLEASA-N 497.345 4.595 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1052511 VGTFSLKKHXHFET-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccc(Cl)cc2)cc1 2206438 HGGMNRATDVRKND-VULFUBBASA-N 493.976 4.544 50 50 JJGA COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3c(O)ccc4ccccc34)c2)cc1 13322013 YDQGLBLNXIYHEV-UXHLAJHPSA-N 467.525 4.889 50 50 JJGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O 1440708 BLEUWHRZWJWTEP-VFNWGFHPSA-N 453.373 4.964 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2530612 FHLPYFYQECUQON-STBIYBPSSA-N 484.508 4.605 50 50 JJGA O=C(COc1ccccc1Br)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209582 XFHAKPKKOVGUHY-SSALVRQISA-N 479.330 4.597 50 50 JJGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 5402995 JRWVMCCYKNQJDC-LGJNPRDNSA-N 480.977 4.695 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 19816583 IJXNMGMTPWAOIV-FSGTUPQPSA-N 497.686 4.825 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2518707 NNISERVGLJXIRW-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 4330219 ZBPWEXASZHHUIN-MMDHUZEPSA-N 453.882 4.745 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccc(C)cc2)cc1 1474464 BOFZGBTTYXSLQQ-AFUMVMLFSA-N 477.615 4.864 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(Br)o2)ccc1OC(=O)c1ccc(Cl)cc1 2584688 BNYWUQLUDAGFJR-FOKLQQMPSA-N 477.698 4.687 50 50 JJGA COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 12648829 IJWNWERQAQNHCU-MXAYSNPKSA-N 469.335 4.882 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2C)cc1OC 4292950 NEKZPXNGFANYKF-OCSSWDANSA-N 498.535 4.914 50 50 JJGA CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1772491868 VIKPJRPSXXRSGV-HWROODBESA-N 458.599 4.750 50 50 JJGA COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 1118942 XLOWOEPXPJFGDL-SFHVURJKSA-N 493.629 4.815 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)c2)cc1 4360325 PKSYDJYUXSDXIG-KSXCTLEASA-N 497.345 4.595 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC 13239632 FLGJZDKONFFORJ-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1O 730042 NXQKMUHJFNLFMG-DHRITJCHSA-N 450.951 4.686 50 50 JJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 2068705 LRKBFPWDUGKJAB-BRJLIKDPSA-N 455.511 4.566 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521180 BMXAJGOLVPNSFF-MGKMIJRASA-N 478.932 4.885 50 50 JJGA CCCCCCCCC1(CCCCCCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21 169743409 HURJMQMZDPOUOU-UHFFFAOYSA-N 478.291 4.814 50 50 JJGA in-vitro CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 4230024 QOCSPXHIQCVTKR-RDRPBHBLSA-N 490.556 4.795 50 50 JJGA O=C(Oc1ccc([N+](=O)[O-])cc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68575977 HNUGEBWRJPUIKS-QMMMGPOBSA-N 451.144 4.535 50 50 JJGA Cc1ccccc1-c1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2n1 1002560 JRCNLZCPOURBKU-LGJNPRDNSA-N 454.442 4.611 50 50 JJGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 32606115 OSAWBAAGUZJFFD-LQNQUEJISA-N 467.525 4.938 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 1144466 YBWHVSBKXLXSMZ-QHCPKHFHSA-N 482.005 4.649 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584743 MBVILYORTBLQIZ-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 4283235 FWPJBRAUUXBEBK-RDRPBHBLSA-N 488.540 4.571 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1OC 2584844 WHNKLRIJQGYEBQ-STBIYBPSSA-N 484.508 4.605 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4259903 IQUYNOYHVRKOES-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA C=CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1O 25782078 VCDITBPCGSXUEC-WSDLNYQXSA-N 456.618 4.507 50 50 JJGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 2521951 UJGHTWFOGAEICD-LSHDLFTRSA-N 458.139 4.850 50 50 JJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2531171 UJKAQIRKXFWOEN-JOBSNELWSA-N 483.908 4.753 50 50 JJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)c1 2553321 SIWADCIQPLOKGR-MFKUBSTISA-N 451.320 4.670 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1C 4335703 NAUOVXKFJOMSFO-VULFUBBASA-N 481.346 4.814 50 50 JJGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 43761081 VBCXPQMYVIAFDK-VULFUBBASA-N 454.910 4.709 50 50 JJGA CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)C(=O)C[C@]21C 257355996 FBRAWBYQGRLCEK-BDZTYIBBSA-N 478.988 4.701 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 2521098 JLVDTWVANKPDME-WYMPLXKRSA-N 458.257 4.885 50 50 JJGA Cc1nnc(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)n1-c1ccccc1 2869909 NAMILRDHCMCSJZ-OGLMXYFKSA-N 493.596 4.671 50 50 JJGA CC(C)C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1176294 HLLHKVHCSPGJJF-KRWDZBQOSA-N 451.262 4.518 50 50 JJGA COc1cc(NC(=O)Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc(OC)c1 2156275 OHOYFORAIOVAGM-UHFFFAOYSA-N 476.077 4.748 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)cc2)cc1 2543989 UWJNLQWYNPQTFL-VULFUBBASA-N 497.345 4.514 50 50 JJGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)c2ccc(C)o2)c1 8456071 LNSRFQCZXYUGCI-BYWZACNXSA-N 497.187 4.577 50 50 JJGA O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccco1 8870959 WIMDHHOOLRVOKC-MEAKTTDOSA-N 453.498 4.591 50 50 JJGA Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 8973447 HQBJZEGYRNNAPW-LJQANCHMSA-N 471.742 4.931 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 2543007 WCBXESQPDQBCSK-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2543339 RYZDCXHBDKCXDQ-LQKURTRISA-N 493.947 4.609 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OC)cc1 4282579 KHMUBNSVNWPBQW-WPWMEQJKSA-N 462.502 4.563 50 50 JJGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 32577830 VRLILUJQWARTQD-NDENLUEZSA-N 468.462 4.660 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)c1c(F)cccc1F 1162599 GXHHUGTUZXYHGV-IBGZPJMESA-N 494.498 4.821 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cc3ccccc3oc2=O)=C(C#N)[C@@H]1c1ccccc1 1204411 AZSVGFXOGRUANO-DEOSSOPVSA-N 456.523 4.694 50 50 JJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2520049 XNXJXBPGLVEENX-STBIYBPSSA-N 472.520 4.996 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 2544027 SZFFKFLBHQLCRT-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 2553276 BSJUOFTXUCPABH-NDZAJKAJSA-N 495.535 4.937 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OCc1ccccc1 8567966 QZRYSLPWVVOKMC-HSZRJFAPSA-N 450.498 4.882 50 50 JJGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)CC(c3ccccc3)c3ccccc3)ccc12 16347200 UKGOZJNNTVNWLE-UHFFFAOYSA-N 457.555 4.641 50 50 JJGA CCCCOc1ccc(/C(CC)=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1 8399653 ZDNGYEJDQVMURK-LBSLPOPVSA-N 460.210 4.992 50 50 JJGA C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)cc1OC 2799244 POVNMKUFGHWELZ-FQEVSTJZSA-N 466.921 4.695 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)ccc1O 2846518 PGSBOHXCIFMKCB-NRFANRHFSA-N 455.436 4.724 50 50 JJGA O=C(NN=Cc1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 252679702 QDKAYUGBNINNSD-UHFFFAOYSA-N 458.459 4.527 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 995816 NWFBZXUIYBBVEW-NRFANRHFSA-N 482.309 4.622 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1 2506442 WTDZDKMTTSOAHG-VULFUBBASA-N 497.345 4.514 50 50 JJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)cc1 12402311 BWHQQJMKOIMYOA-FQEVSTJZSA-N 450.520 4.606 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1OC 13208769 SFPXQWRQUKWJFF-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)c1 674338 JPRYRKCABNAASD-JOCHJYFZSA-N 498.352 4.910 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc4ccccc4c3)c2)cc1 2543156 GOVRQPJFCXUGET-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584827 LYOXMOCYHKPUCK-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 4261260 HEZVEYQKQKWHMU-VUTHCHCSSA-N 472.541 4.952 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 102295146 MLYTZGSYXVQUER-NDZAJKAJSA-N 495.620 4.930 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2520425 BTNZGKZNXGOOBI-LGJNPRDNSA-N 485.309 4.645 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1 2531891 SJFWFGPENDJTQG-AFUMVMLFSA-N 483.318 4.537 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2532266 YYVWNNUWMNKQIE-VULFUBBASA-N 497.345 4.514 50 50 JJGA C[C@H](NC(=S)NNC(=O)c1cccc(COc2cccc(Br)c2)c1)c1ccccc1 2794509 OIJNJOQSQAEBMC-INIZCTEOSA-N 484.419 4.898 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2)cc1 4283055 SZEBKTPBDNHTOZ-MTDXEUNCSA-N 460.530 4.786 50 50 JJGA C/C(=N\NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)s2)c1 8453678 QTEMMZBBQUNOEV-AZRQGOPLSA-N 486.937 4.870 50 50 JJGA NNc1oc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97976821 FBOMUNKVBSPBAF-UHFFFAOYSA-N 470.920 4.900 50 50 JJGA CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 100283667 MMODFQXCVPYXGX-RUZDIDTESA-N 471.582 4.999 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3OC)n2-c2ccc(C)cc2)cc1 1303265 LUFOWIJUXDSGSP-JVWAILMASA-N 487.585 4.502 50 50 JJGA Cc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)NC3=C2C(=O)CCC3)o1 2371646 ZGKGQNLZCHGCAB-OYLFLEFRSA-N 459.571 4.728 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)sc(C)c1-c1ccccc1 2852427 DJVASRQLHKAQRL-UHFFFAOYSA-N 491.997 4.863 50 50 JJGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532252 MTWIHNWZADLYTA-VULFUBBASA-N 497.345 4.514 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1ccc(O)cc1O 2552993 YFCWMCSJVRAFEO-BRJLIKDPSA-N 466.902 4.949 50 50 JJGA CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402242 KHWCILFXLROBTH-AREMUKBSSA-N 492.501 4.777 50 50 JJGA C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)C(F)(F)F)cc1 20158025 JWYUUMHBHPYXRA-IPPBACCNSA-N 453.420 4.965 50 50 JJGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1472170 GXYSGLKOBUAGLX-OAQYLSRUSA-N 452.341 4.924 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 4282444 WKTPKDJBNSPVBD-DHRITJCHSA-N 486.753 4.770 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccco1 9246616 LIUSDBLMRJIGDP-BUVRLJJBSA-N 451.939 4.813 50 50 JJGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1832122 IPIDMQATIULAAW-WSDLNYQXSA-N 458.634 4.780 50 50 JJGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 252448789 OEIUCEBIXYUCLP-WEWMWRJBSA-O 454.550 4.705 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 1477414 BOUAUWGKWSCEPM-LGJNPRDNSA-N 480.977 4.695 50 50 JJGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC 2506242 AVNWGZLEPRRTTC-SRZZPIQSSA-N 468.145 4.549 50 50 JJGA COC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(OC)c1 220956155 NCPXKKLUNJHABE-VGOFMYFVSA-N 481.140 4.879 50 50 JJGA Cc1n[nH]c2c1[C@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)C(C#N)=C(N)O2 1003024 ZZYSHPSUASXJDL-NRFANRHFSA-N 487.361 4.611 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1C 1130779 NYXJRCBLXPZRBD-FQEVSTJZSA-N 481.350 4.595 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1F 1835173 VQFPRHXSUVAVJM-VULFUBBASA-N 465.941 4.969 50 50 JJGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4230236 PRZZZJYKYJAGSX-XODNFHPESA-N 488.853 4.700 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2OCC)cc1 4295914 GNILVZCVMJABBB-LQKURTRISA-N 496.947 4.886 50 50 JJGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 8969843 LLDKLBQUKNKEAA-VQTJNVASSA-N 469.950 4.598 50 50 JJGA C/C(=N\NC(=O)c1cn(C)c2ccccc12)c1cccc(NC(=O)c2ccc(Br)o2)c1 20159529 ZIEMXAGGOFRSKH-VULFUBBASA-N 479.334 4.940 50 50 JJGA C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 254500068 GXFWIUAHRJHXCB-HJHPPFKDSA-N 460.361 4.775 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 1775976231 PPROKWWJCBHCEE-FQEVSTJZSA-N 474.872 4.604 50 50 JJGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 4302861 DDIHWCSSYJEUJO-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)s1 12401684 MWPKUBVKTHSIKD-IBGZPJMESA-N 495.630 4.708 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 2521721 YDPWAZOTYNDYDQ-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1OC 2585024 FAFIMZMIDJEHMJ-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 9331049 CXYUUWMMANKFNT-BJKOFHAPSA-N 491.613 4.537 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1119139 HKSMJAVXWFBRRR-OAQYLSRUSA-N 496.317 4.751 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 1196172 GZGBSCNIYGXFRP-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1OCC 8994974 TYZVYTGMVLZRCK-GOTSBHOMSA-N 493.585 4.734 50 50 JJGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)NC(C)=C1C(=O)OC 20255694 ANUMXGNRZWHMCA-RUZDIDTESA-N 491.613 4.943 50 50 JJGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1cccc(C(F)(F)F)c1 20457102 KZJWJPBHFRNQCK-UHFFFAOYSA-N 451.898 4.749 50 50 JJGA O=C(NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)NC1CCCCC1 689139 BXIPRUGZQFMWBJ-UHFFFAOYSA-N 467.367 4.941 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 4230184 JHRTZYDXUWFJIQ-WPWMEQJKSA-N 491.500 4.765 50 50 JJGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)c(C)c1 1300336 AGWYHGLXBGOZQT-RUZDIDTESA-N 487.581 4.833 50 50 JJGA CCOc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1O 2341075 PHMILIPEWJNRAN-LSHDLFTRSA-N 495.051 4.831 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402289 PBTKMQREJHOEQT-GOSISDBHSA-N 456.474 4.875 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 4258990 SADDILTYDSZFHA-JFLMPSFJSA-N 457.921 4.590 50 50 JJGA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@]2(C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 253498108 KZKVGEIAXRKFFJ-UVQLNYEBSA-N 476.686 4.792 50 50 JJGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)NC(C)=C1C(=O)OC 1136906 QPRLJDDLKYOJOF-DEOSSOPVSA-N 477.586 4.635 50 50 JJGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)ccc12 2851786 JLTYOXNWXFHLEC-QHCPKHFHSA-N 475.595 4.953 50 50 JJGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4282119 WNDVCZKHTWFRKB-OKCVXOCRSA-N 485.927 4.593 50 50 JJGA CCCC/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(OCC)cc1 20572451 KMNIUILRFKFXAX-SZHLLGMXSA-N 460.210 4.992 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1c(F)cccc1Cl 1108438 WUXWEBOWCIQDJF-QFIPXVFZSA-N 454.885 4.881 50 50 JJGA C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 2319583 HTDCYOMBWVHYNB-WPWMEQJKSA-N 469.570 4.611 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1 2542707 BTOVVQPKPOAYNI-CVKSISIWSA-N 497.345 4.596 50 50 JJGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4259319 VUHGEJMVSSSQIB-LQKURTRISA-N 470.916 4.834 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OCCCC)cc2)cc1 19800309 HGNGPRIELYGXLI-IABPKXMJSA-N 480.609 4.815 50 50 JJGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O 2597234 XEEOVQZDEHMZGO-VULFUBBASA-N 493.976 4.544 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529609 LKZQIKMLKOFBFZ-BRJLIKDPSA-N 488.283 4.893 50 50 JJGA C/C(=N/NC(=O)c1cc2c(s1)CCCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572678 PVDBPOHXYZTQEG-UQQQWYQISA-N 467.616 4.972 50 50 JJGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCC2 714775 JVEVQIXOGLCMOH-OAQYLSRUSA-N 474.586 4.503 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 1064879 SSBRPIIBBIGPPB-XMMPIXPASA-N 488.544 4.861 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4282584 YKFVLEKICAMNPG-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 13894539 RFRQAHRELMETGX-OVVQPSECSA-N 487.585 4.584 50 50 JJGA COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1nc(C)cc1C 20353002 ZVZLMMSFLJBAEP-YBFXNURJSA-N 478.574 4.729 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1Cn1nc(C)c(Br)c1C 676245 ZRSFLTWKRYKOIW-BHGWPJFGSA-N 475.774 4.737 50 50 JJGA N[C@@H](CSSC[C@H](N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 1736048 REEVAJUPLLWYBH-ZEQRLZLVSA-N 490.654 4.606 50 50 JJGA in-vitro Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4259598 UNEJLOVOHZZMGD-LGJNPRDNSA-N 469.328 4.643 50 50 JJGA CCOC(=O)/N=S(c1ccc([N+](=O)[O-])cc1)/S(=N/C(=O)OCC)c1ccc([N+](=O)[O-])cc1 19898920 QEUJAJLXJNPAEZ-UHFFFAOYSA-N 482.496 4.753 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 2518524 WBDTYUGTQAXTRH-LGJNPRDNSA-N 456.329 4.970 50 50 JJGA COc1cccc(Cn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1 20274333 UHICMRDZULFHJT-FYJGNVAPSA-N 465.509 4.650 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4259707 SGASNBIVJSFPCH-OGLMXYFKSA-N 464.493 4.753 50 50 JJGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c(OC)c1 1827039 MNNCTECIEOAWHZ-LSHDLFTRSA-N 495.051 4.743 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2531626 SOJUCCBTIRQKOW-LQKURTRISA-N 483.480 4.805 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2OC)cc1 2531848 VQXGRIFWHOXQDF-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2542871 QSQCXBYZBMBKSX-UXHLAJHPSA-N 495.535 4.855 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402320 KPIDHXJQPFECQE-LJQANCHMSA-N 456.474 4.875 50 50 JJGA CCOP(=O)(OCC)C(Cl)(Cl)[C@@H](OC(N)=O)P(=O)(c1ccccc1)c1ccccc1 3185560 PPFFTVHZPSFMOH-KRWDZBQOSA-N 494.248 4.819 50 50 JJGA COc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2OC)cc1 12446508 OOLJJNLLVZQLNX-MZJWZYIUSA-N 488.569 4.947 50 50 JJGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc(OC)c1OC 695399 YBFVENNWNRIPMX-STBIYBPSSA-N 484.508 4.849 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccs3)ccc2[C@@H]1c1c(F)cccc1Cl 1857799606 NVWUFYWESOLHML-SFHVURJKSA-N 462.911 4.526 50 50 JJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 730125 XCOQYWGXHUBRTM-LGJNPRDNSA-N 480.977 4.695 50 50 JJGA COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1 1194865 DZPDLPYGEFXLRY-FOKLQQMPSA-N 463.715 4.900 50 50 JJGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2530115 XCYUYUHCZKQNCW-DHRITJCHSA-N 487.737 4.851 50 50 JJGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 13208768 AGKQBIRJNNCTNG-VULFUBBASA-N 464.978 4.989 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 16676327 YCFVPMBSHVLDRW-JOCHJYFZSA-N 451.479 4.635 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccc(C)s2)sc2c1CCCCCC2 20168491 OJZYRNKFUNNXJN-UHFFFAOYSA-N 451.639 4.585 50 50 JJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 8404606 XLGGEELNWHEASI-QHCPKHFHSA-N 457.534 4.602 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)ccc1O 2846519 PGSBOHXCIFMKCB-OAQYLSRUSA-N 455.436 4.724 50 50 JJGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 22034844 UMVPXTLRTHZXEG-YSMPRRRNSA-N 450.882 4.963 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)cc1 4259788 BZTZLUSDZJLFFA-KSXCTLEASA-N 497.345 4.595 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 673607 UDVQZDPDZJEDMG-QFIPXVFZSA-N 454.910 4.572 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1 2355485 PWLLFXRPEIWTKS-VULFUBBASA-N 465.941 4.969 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 2530414 PABMUERVSZASMI-WKULSOCRSA-N 489.890 4.940 50 50 JJGA COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2531376 KDEFOKOTZRZZNM-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1OC 2214416 YUVXEGWWCPOHCI-VVZUNISESA-N 499.596 4.859 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 2521087 NARJAVZLQCWYLT-OPEKNORGSA-N 457.269 4.705 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(O)cc1O 2552977 SHHGJSNMBQSBHZ-BRJLIKDPSA-N 466.902 4.949 50 50 JJGA Cc1nnsc1C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 4209567 FPTDLHSSVLNUQB-LSHDLFTRSA-N 456.936 4.698 50 50 JJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccccc3F)n2)cc1)c1cccc(Cl)c1 4210423 XWPBJNXVGNHMLX-RWPZCVJISA-N 476.895 4.707 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2OC)cc1 4354149 DHQCIIYGSLLBDL-LQKURTRISA-N 496.947 4.886 50 50 JJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccc(Cl)cc2)cc1 863900 SBBCLPZBPLCKHQ-LGJNPRDNSA-N 493.976 4.550 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 2530338 DYUHPVHREBBNJV-LQKURTRISA-N 499.479 4.505 50 50 JJGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4259852 ZSGCRNMAMWISHN-CVKSISIWSA-N 481.346 4.760 50 50 JJGA CCCc1n[nH]c2c1[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 20586376 JLBCSHNKBISGKA-HXUWFJFHSA-N 495.377 4.930 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 2326915 CBYJAFCECWSIIW-OEAKJJBVSA-N 471.677 4.919 50 50 JJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4282480 QHKGTLRXXBTYNS-MTDXEUNCSA-N 460.530 4.786 50 50 JJGA COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc([N+](=O)[O-])c1O 39834341 IAJFCVVEFMQISS-VULFUBBASA-N 471.554 4.693 50 50 JJGA Cc1ccc(C)c(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)c1 1857799966 QZWLEHRQNSNINL-QHCPKHFHSA-N 468.481 4.568 50 50 JJGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 690966 PIOYIJRZKHZHKR-BXKMTCNYSA-N 495.410 4.734 50 50 JJGA CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(OC)cc1 2543917 DQCACJKYICCLPE-UXHLAJHPSA-N 498.535 4.995 50 50 JJGA Cc1ccc(CSc2nnc(N3C(N)=C(C#N)[C@H](c4cccnc4)C4=C3CCCC4=O)s2)cc1 12447721 XXRJMEXGVJNHHP-NRFANRHFSA-N 486.626 4.839 50 50 JJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 2699853 UCHOSWYDVXEWMZ-AFUMVMLFSA-N 492.948 4.738 50 50 JJGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229167 KRBHJTQTAGCCSN-RAQUAXEKSA-N 478.346 4.752 50 50 JJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3cccc(Br)c3)c2)cc1 17136219 VTIVNPJOEATDKE-CVKSISIWSA-N 466.335 4.864 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)cc2)cc1 253471176 NIYNSIHFFVWPCD-MFKUBSTISA-N 451.320 4.670 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)cc1 2543838 URVRBEUITOLCFK-DHRITJCHSA-N 471.282 4.580 50 50 JJGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 9968526 IOZGWUQDUDSHAQ-OAQYLSRUSA-N 453.951 4.581 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 13233075 XLVCSSAKPIQTBX-DHRITJCHSA-N 479.949 4.889 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC 720220 DFXZEYQWBNXGBQ-QFIPXVFZSA-N 465.500 4.923 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 13239747 IWLLOELUUJAXIV-DHRITJCHSA-N 479.949 4.889 50 50 JJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 25783331 YUAKPZFDUORZNO-NDZAJKAJSA-N 492.535 4.607 50 50 JJGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc2ccccc2c1Br 102309966 IMFYCYUFTXRRMS-MFKUBSTISA-N 454.324 4.502 50 50 JJGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)c(Br)cc1OC(C)C 20175481 DUFRTVYKTQQQTP-CHHVJCJISA-N 473.323 4.909 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2521207 MCQQTFBBTRTHKU-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4209695 CQYGOULZGDMRBT-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402316 RAIBXQCHJBVWAO-LJQANCHMSA-N 465.491 4.505 50 50 JJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cc(CN3CCOCC3)cs2)C2=C1CCCC2=O 19873998 WIDHRAKLQQCCGK-XMMPIXPASA-N 495.048 4.847 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 2329633 OZWMQBDBRHQKOU-AFUMVMLFSA-N 492.948 4.738 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1 5351872 SCGKCYOYNXXSTL-STBIYBPSSA-N 467.573 4.947 50 50 JJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nc3ccccc32)cc1 13239352 JVINGLCZQCEXID-JVWAILMASA-N 457.603 4.701 50 50 JJGA O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239165308 NXFJZRPIIMTORI-YWALVYIISA-N 462.727 4.642 50 50 JJGA C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)cc1OC 2799243 POVNMKUFGHWELZ-HXUWFJFHSA-N 466.921 4.695 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 4282588 IRFQPTXYSCSHIO-KNZXSQEYSA-N 493.357 4.905 50 50 JJGA CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1OCC 8994977 TYZVYTGMVLZRCK-XZOQPEGZSA-N 493.585 4.734 50 50 JJGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(OCC(N)=O)cc1 13321541 PUCMPAXOWZVHQD-OKCVXOCRSA-N 472.932 4.573 50 50 JJGA C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 14299506 OJCKRNPLOZHAOU-UGKRXNSESA-N 489.653 4.636 50 50 JJGA in-vitro,metabolite C[C@@H]1C[C@H](C)[C@H](O)C(C#N)=CC=CC[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 254134448 OJCKRNPLOZHAOU-KGIUJBRMSA-N 489.653 4.636 50 50 JJGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@H]1c1c(F)cccc1Cl 1775976235 PPROKWWJCBHCEE-HXUWFJFHSA-N 474.872 4.604 50 50 JJGA O=C(N/N=C/c1ccc(Br)o1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 7016475 SLJAYPFZEANQNK-ZIGZUIEXSA-N 464.319 4.520 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3OC)n2-c2ccccc2)cc1 8818297 LQUOIGSDNLFFIK-LLTKLJFCSA-N 499.596 4.859 50 50 JJGA N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nn(CCO)c(N)c1C#N 15658888 IHTBSCQEYNBFGP-MHWRWJLKSA-N 477.355 4.703 50 50 JJGA O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@H]3C=C[C@@H]([C@@H]4[C@H](Br)[C@H](Br)[C@@H]43)[C@]12Cl 254453301 YPOSEOALJLAJOD-VCOMCNSSSA-N 481.826 4.802 50 50 JJGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2520145 YAKSKYBWSVKMBA-MZJWZYIUSA-N 499.354 4.733 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2573254 KKZNFHGLYRESOB-BRJLIKDPSA-N 459.285 4.691 50 50 JJGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 5403296 GSBPKJWTEPCNNL-MTDXEUNCSA-N 474.586 4.734 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2)cc1OC 25783502 JGIZSGCVBGGOAX-LQKURTRISA-N 470.481 4.546 50 50 JJGA COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1OC 1152918 PBAANXOTFACMFQ-KRWDZBQOSA-N 487.741 4.728 50 50 JJGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 4259945 NCDXJJDYIWMMCW-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA N#CC1=C(N)N(c2cc([N+](=O)[O-])ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428568 XZQAHBACGNSMOM-GOSISDBHSA-N 471.882 4.523 50 50 JJGA COc1ccc(N[C@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 245240986 WALADQCSKJDDDG-QGZVFWFLSA-N 482.378 4.987 50 50 JJGA aggregator CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC(=O)c1c(F)cccc1F 1162598 GXHHUGTUZXYHGV-LJQANCHMSA-N 494.498 4.821 50 50 JJGA Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CC(C)(C)C3)o1 1113542 QEZYFKBVGGYSOU-QFIPXVFZSA-N 453.608 4.835 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4261027 QSDAHEABKJYKHY-ZMOGYAJESA-N 482.290 4.649 50 50 JJGA C/C(=N\NC(=O)c1nn(C)cc1Br)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 8455969 ORUJVGDGGJIIPG-JFLMPSFJSA-N 496.409 4.886 50 50 JJGA Cc1nnsc1C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 4210204 HYNDCCNSADHTEY-LSHDLFTRSA-N 456.936 4.698 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)c2oc3ccccc3c2C)sc2c1CCCCCC2 2856945 KOUJZBGOKCKCAC-UHFFFAOYSA-N 471.604 4.880 50 50 JJGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 8404204 RYRMQOBLCPDLEU-RDRPBHBLSA-N 497.555 4.594 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2076655 FDCFINCQLIWUAS-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 4292426 SURKYFIKVAGAHE-MTDXEUNCSA-N 476.529 4.866 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 4331112 BBBGBQHJGOGMHT-AYRFUNSJSA-N 468.509 4.641 50 50 JJGA CCc1cc2c3c(c1)[C@@]1(C=C(c4ccc([N+](=O)[O-])cc4)OC(N)=C1C#N)C(=O)N3C(C)(C)C=C2C 1051040 SIDSDPLGVQDMPL-HHHXNRCGSA-N 468.513 4.702 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1141805 HIJVYYRFYAEMFK-NRFANRHFSA-N 481.892 4.651 50 50 JJGA O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1 8754423 CDNDPVFBXNZAQB-JSKHIKRRSA-N 463.537 4.998 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 2543050 LGMZAMOOWVMSIP-MLKGEYHRSA-N 478.932 4.885 50 50 JJGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 13239567 BGJAIFINUNIRIL-MZJWZYIUSA-N 495.004 4.998 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1064829 XRVAHIWYZQFZIY-HXUWFJFHSA-N 483.297 4.801 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 4230240 FHXYUGZKALVRAY-MTDXEUNCSA-N 472.545 4.515 50 50 JJGA COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 20228550 APHJACQPGSPJDX-VXLYETTFSA-N 490.899 4.520 50 50 JJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(Br)c1O 987164 RJPSPGKWMKMLEQ-INIZCTEOSA-N 487.379 4.840 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccc(C)cc2)cc1 1815893 HZKRSBPNVSSXBJ-JVWAILMASA-N 471.586 4.802 50 50 JJGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2519972 OMKCKHLPUCBIMZ-RWPZCVJISA-N 486.915 4.540 50 50 JJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4210509 MKGPNXQDPZNNRF-CCVNUDIWSA-N 491.956 4.654 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2OC)cc1 4282285 DXRBAWKYIRHKLY-PCLIKHOPSA-N 452.532 4.919 50 50 JJGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 20170538 GHFQGYOBVPMVCS-VWLOTQADSA-N 491.613 4.901 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 2519974 VONXOJZWQSHHSD-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2)cc1 4261034 CMYRRRNLMUITLZ-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)cc1 4283460 YANDQGQVUFWOEW-WPWMEQJKSA-N 491.500 4.765 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1O 2219164 CWJIFJOFADJSTL-AFUMVMLFSA-N 463.950 4.536 50 50 JJGA O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239165307 NXFJZRPIIMTORI-PSWKNJSVSA-N 462.727 4.642 50 50 JJGA Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3cc4cc(Oc5ccccc5)ccc4n3C)cc2)n1 334163149 MOHAQSQIAZDPFI-UHFFFAOYSA-N 479.540 4.848 50 50 JJGA COc1cc(/C=C(/C(=O)NNc2ncccn2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 2325728093 UDXUSVPBCPBKKE-XQNSMLJCSA-N 482.540 4.853 50 50 JJGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc(-c2ccncc2)nc2ccccc12 654319 LTZCFLACQNSAON-RPPGKUMJSA-N 475.302 4.552 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(C)cc2)cc1OC 731416 HPSFYAYWROKFCV-OCSSWDANSA-N 498.535 4.914 50 50 JJGA C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2cccnc2)c1 20158236 YHWFNIKAMZJTGN-JVWAILMASA-N 452.967 4.761 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2)cc1 2531790 ZIMREUIILBHNCY-OGLMXYFKSA-N 454.482 4.927 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2)cc1 4259147 BJBIQYLYXVMHCM-ZVHZXABRSA-N 471.307 4.814 50 50 JJGA O=C(O)/C(Cl)=C(Cl)/C=N/NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 13959372 LHIDMWWXCVHGOF-UMGIQMQYSA-N 496.528 4.764 50 50 JJGA COc1cccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c1OCc1cccc(C)c1 20408095 AHYMLQSVCJIFER-LPYMAVHISA-N 456.498 4.535 50 50 JJGA COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(OC)c(OC)c1)oc1ccccc12 100527482 ZLWNGWIQIBONMT-RWPZCVJISA-N 475.501 4.746 50 50 JJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220954295 YZCJCDQYXMUTCJ-OALUTQOASA-N 461.370 4.973 50 50 JJGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 690964 PIOYIJRZKHZHKR-OSPHWJPCSA-N 495.410 4.734 50 50 JJGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 8455912 SGCPCSYDXDLHMT-AJBULDERSA-N 481.552 4.949 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Br)c1 2316784 XRAWNSHKNNEINI-MFKUBSTISA-N 492.402 4.939 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1cccc2ccccc12 4286990 IEFNYNDZDMBXKX-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 2329915 OZUUOJHTUVGMPE-WPWMEQJKSA-N 471.586 4.786 50 50 JJGA C/C(=N/NC(=O)c1cc2c(s1)CCCC2)c1cccc(NS(=O)(=O)c2ccccc2)c1 20572672 OCDZHDDTZWOION-JLPGSUDCSA-N 453.589 4.582 50 50 JJGA COc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1COc1ccc(F)cc1 32578305 JSCHIXRNMDYICD-MXAYSNPKSA-N 457.299 4.940 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 4260868 OPDRQOAEDFJOBM-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 4282598 XHNLWPPRXVJGRE-RWPZCVJISA-N 473.460 4.995 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(Br)c1O 1132423 NGBFWWDTYRCVHW-MRXNPFEDSA-N 487.741 4.815 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 9716243 DRYBHZTYXBAUIJ-QHCPKHFHSA-N 482.471 4.742 50 50 JJGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C(C)=O)cc4)ccc32)cc1 1857799976 RRYHHYKHCJBWKM-XMMPIXPASA-N 492.578 4.597 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccccc2)cc1 1250382 CTHYWSACYRUYLD-MFKUBSTISA-N 477.615 4.945 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 2531293 KIXCUNNOGXCRNI-STBIYBPSSA-N 484.508 4.849 50 50 JJGA Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 2903464 BAZLPLMPNQTADO-RWPZCVJISA-N 489.519 4.668 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccnc2)cc1 2552572 WDHQCQWOWZPRRB-CVKSISIWSA-N 482.334 4.616 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2OC)cc1 2531893 LFYUBIFZFYQTDG-SSGLAOATSA-N 496.947 4.884 50 50 JJGA CCN(CC)c1ccc2c(C)c(-c3ccc(NC(=O)CI)cc3)c(=O)oc2c1 2565846 WIXAQXKQLNRFDF-UHFFFAOYSA-N 490.341 4.988 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Br)cc2)cc1 4209727 PHSZWWQVGDUDMY-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OCC)cc1 4327449 GLFZZWBGXOGDRS-RDRPBHBLSA-N 490.556 4.931 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 9108660 RJXCXCQODRETQW-NLRVBDNBSA-N 486.557 4.783 50 50 JJGA CC(C)c1ccc(OCc2cccc(C(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 20613824 RCWBDBJYYLCNIO-UHFFFAOYSA-N 464.547 4.929 50 50 JJGA CC(C)C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1176295 HLLHKVHCSPGJJF-QGZVFWFLSA-N 451.262 4.518 50 50 JJGA CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CC(C)(C)CC3=O)cc1 12413325 PWBVVLUAZODNNC-MUUNZHRXSA-N 452.558 4.605 50 50 JJGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)[nH]n2)cc1 102302478 TWXWNMIGGRUALX-YZSQISJMSA-N 450.587 4.930 50 50 JJGA COc1ccc(CC(=O)N/N=C/c2ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c2)cc1 999962 PPGZXNPSOWZVRA-UVHMKAGCSA-N 486.544 4.725 50 50 JJGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 1247403 ZXYPIKRWPDZPSD-PMACEKPBSA-N 469.950 4.598 50 50 JJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1F 2520094 PNOHQGZUCKBEKI-RVPIIJQGSA-N 467.294 4.971 50 50 JJGA CC(=O)Nc1ccc([C@H](COS(=O)(=O)c2ccc(C)cc2)O[Si](C)(C)C(C)(C)C)cn1 169794897 PCDLDTXYUKJPTP-FQEVSTJZSA-N 464.660 4.817 50 50 JJGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(O)c1 2073367 WWBZHZAFKNEWIQ-OGLMXYFKSA-N 487.629 4.879 50 50 JJGA Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 3186715 AJQOZRMVABIZOQ-RPPGKUMJSA-N 471.554 4.866 50 50 JJGA COc1cc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)ccc1OCc1ccccc1 32614451 DHSXMRQFCGZTTP-NFMUSCNOSA-N 468.509 4.718 50 50 JJGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC(C)=C1C(=O)OC 1142558 YVPWKWMJLNWWQS-DEOSSOPVSA-N 477.586 4.635 50 50 JJGA N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cncn2)cs1 12375403 ROVZOLFZMWZQII-OAQYLSRUSA-N 496.518 4.711 50 50 JJGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1 20168669 LRTWMWHLKYPYEF-UHFFFAOYSA-N 459.618 4.517 50 50 JJGA Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)s1 9110676 VBKJKKLXEUIQNS-AWEZNQCLSA-N 462.394 4.530 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccs1 1242024 HDZAMWQQLMTPHH-YDZHTSKRSA-N 453.980 4.892 50 50 JJGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)c1 2530601 NSJHBVHDGVPLDE-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA CCOc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 2584811 SHXYSZXMNKBPMG-CVKSISIWSA-N 452.894 4.730 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OC)cc1 4261136 LKKLFKALXOFEMK-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2531380 WSTMXRVRMIAMEE-STBIYBPSSA-N 465.509 4.765 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2OC)cc1 4260585 XDKZIBRCMRNVQS-ZTLXJKOPSA-N 498.535 4.994 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 4360095 YLNBSCAAVPLFBK-MTDXEUNCSA-N 474.513 4.642 50 50 JJGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccccc1 2544254 FLSKRLXPFMJLJS-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCc1c(C)sc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1C(=O)OC 2856732 NMRIRLZGPYHMJT-QZTJIDSGSA-N 473.664 4.824 50 50 JJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 8454616 MRHHAFBSYPOUOC-QFIPXVFZSA-N 488.462 4.938 50 50 JJGA CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(CCl)ccc21 14982412 IPJDHSYCSQAODE-UHFFFAOYSA-N 464.857 4.844 50 50 JJGA in-vitro O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 4230063 QDKBLZCTBVWYEM-FDAWAROLSA-N 473.536 4.573 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 2584978 JNCDRLLPFCWRIJ-WYMPLXKRSA-N 458.257 4.885 50 50 JJGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 4230344 FQEVXYZYJLYZMF-WKULSOCRSA-N 459.452 4.786 50 50 JJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 4366322 DQHRPCVHJUNBQE-WBILBPDKSA-N 497.345 4.595 50 50 JJGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 9331051 CXYUUWMMANKFNT-DNQXCXABSA-N 491.613 4.537 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1cccnc1 714755 FUZHYJHPPCAXMF-QFIPXVFZSA-N 455.587 4.834 50 50 JJGA O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 2532768 JOEPPXCZTQJDPG-UHFFFAOYSA-N 463.557 4.969 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc(Br)c2)=C(C#N)[C@@H]1c1cccnc1 19759495 QPZKLCLFGODNSC-NRFANRHFSA-N 468.376 4.745 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OC)cc1 4360109 VFBYDNMVQNYGRM-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CI)CC[C@@]43C)[C@H]1CCC2=O 254290619 MLUAUWXRNXTGCU-YBCKDWFCSA-N 456.364 4.865 50 50 JJGA Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(F)cc1 16676171 DAUOHEUWRARHRH-OKCVXOCRSA-N 466.516 4.852 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1 9110465 JNXJZIHQZLPWLS-VULFUBBASA-N 491.345 4.888 50 50 JJGA CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 9187440 OWCLKZWNDJLMIA-CXUHLZMHSA-N 454.324 4.948 50 50 JJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cc(CN4CCOCC4)cs3)C3=C2CC(C)(C)CC3=O)cc1 12447790 GHLKXUWMZBGJSG-RUZDIDTESA-N 488.657 4.830 50 50 JJGA COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2OC)cc1 648564 CBEBLAMGJZZFOP-XMMPIXPASA-N 460.530 4.734 50 50 JJGA COc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 705644 PCZMGHATDHIQDF-HSZRJFAPSA-N 459.546 4.653 50 50 JJGA O=C(CCl)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nc2ccccc2s1 1875386194 KYOYMQZZWCPEAQ-ICSRJNTNSA-N 456.011 4.505 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 15799343 IPMLVLALJSWMRR-IASRHXQISA-N 461.562 4.705 50 50 JJGA COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1COc1ccc(C#N)cc1 2103327 JCZFWXFZZHWJAR-OCSSWDANSA-N 465.509 4.828 50 50 JJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])c1 3186682 REHZKUBNNAOCMF-SSDVNMTOSA-N 462.528 4.807 50 50 JJGA C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12361917 JFYKVAXGPGSKLG-PMERELPUSA-N 488.522 4.764 50 50 JJGA CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 195972651 SLXLVVLJLQJWFG-JCWFFFCVSA-N 482.653 4.958 50 50 JJGA in-vitro Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 2518488 XXWLUTVQEKVWLJ-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1cccc(Br)c1 2521987 FYCDIOCHOCHWGD-ZVHZXABRSA-N 459.340 4.707 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OCC)cc1 2531870 OENSVQFZUSNLFE-JVWAILMASA-N 450.466 4.606 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282097 BUOCMIVLNKVYAX-OGLMXYFKSA-N 454.482 4.597 50 50 JJGA COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 19641587 SFLPSFVLKKTNEQ-JFLMPSFJSA-N 470.485 4.803 50 50 JJGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccccc1C 20418630 WLTWRHAWVJXFHR-CPNJWEJPSA-N 462.527 4.976 50 50 JJGA O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 20457897 DSECBASVPPMMQS-UHFFFAOYSA-N 468.337 4.614 50 50 JJGA C=C([C@@H](CI)COCc1ccc(OC)cc1)[Sn](C)(C)C 169831848 ZKTZJSRLBQNBIE-HZAYLZKLSA-N 494.989 4.697 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 731167 CUPZYLAUMQGRCP-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA Cc1nnc(SCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)n1-c1ccccc1 1207749 IRGUCUXILRQUPD-ZMOGYAJESA-N 496.390 4.841 50 50 JJGA CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c21 8854870 DSXGFLQNJYRXNV-GOSISDBHSA-N 451.324 4.846 50 50 JJGA Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)s1 9110675 VBKJKKLXEUIQNS-CQSZACIVSA-N 462.394 4.530 50 50 JJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 685944016 VXGXUSIPKUQXFM-JFLMPSFJSA-N 482.521 4.707 50 50 JJGA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)NNc2nc3ccccc3s2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 1875323228 BTQDMRAHZYZUIB-PASDCYSWSA-N 485.635 4.548 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OCC)cc1 4347477 FHPHIZFGOKJZDN-MTDXEUNCSA-N 476.529 4.622 50 50 JJGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1OC 1152917 PBAANXOTFACMFQ-QGZVFWFLSA-N 487.741 4.728 50 50 JJGA COc1ccc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc1COc1c(F)c(F)c(F)c(F)c1F 32578320 UXCPSNGNZIVFCK-BMWVXGTQSA-N 495.360 4.642 50 50 JJGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2521206 SJDJSZAWJKLBMY-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2584807 WAROCYYIQDFTOA-CVKSISIWSA-N 452.894 4.730 50 50 JJGA O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1cccc(F)c1 2859806 ZENZECGEVZFEMR-KPSZGOFPSA-N 494.940 4.583 50 50 JJGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 32603748 GVMKJVXPVMDEFQ-WGARJPEWSA-N 466.335 4.539 50 50 JJGA Cc1sc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 19932370 RKJXIQFQKCNILB-XMMPIXPASA-N 495.048 4.847 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccccc2)cc1 863871 VGITXEDSVFOFSW-ZVHZXABRSA-N 463.588 4.555 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4259411 SRGINUGZLOVVLG-MTDXEUNCSA-N 460.530 4.922 50 50 JJGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1 4282818 PFWQXZYMCZHEBD-ZJPLNPDKSA-N 479.330 4.840 50 50 JJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc([N+](=O)[O-])c1O 35191366 MVFGQGIBPPACDD-MRXNPFEDSA-N 488.287 4.614 50 50 JJGA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 2164385 MGXAOGDOJXOYRA-HSZRJFAPSA-N 459.458 4.519 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1ccc(F)cc1 2969345 KASMHLUAFRHFGC-LGJNPRDNSA-N 456.857 4.567 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1sc2ccccc2c1Cl 4210542 IBQZLMKEZUUZCW-LGJNPRDNSA-N 465.918 4.941 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OCC)cc1 4283135 HQLDSOKPQXSPDA-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 1815680 TXFDSNIEXUTAQU-CVKSISIWSA-N 486.557 4.702 50 50 JJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 16676326 YCFVPMBSHVLDRW-QFIPXVFZSA-N 451.479 4.635 50 50 JJGA CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OCC 2506256 BGXKAKKTOOKISC-SRZZPIQSSA-N 470.161 4.773 50 50 JJGA N#CC1=C(n2cccc2)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377289 PGSLHZQKNSMAEV-MHZLTWQESA-N 450.473 4.737 50 50 JJGA CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 1772491862 VIKPJRPSXXRSGV-FAPOBZPMSA-N 458.599 4.750 50 50 JJGA CCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1 841803 QCNPAOSSJSJQNP-NRFANRHFSA-N 453.589 4.688 50 50 JJGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2518574 ZDQPWMRJUZDEMQ-LGJNPRDNSA-N 472.328 4.670 50 50 JJGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc2c1CCCCCC2 20168494 NOUHLQOZEQFYLS-UHFFFAOYSA-N 465.666 4.894 50 50 JJGA CCCC[C@H](CC)CC1(C[C@H](CC)CCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21 170157498 RBFWXVHGJQDSGG-SZPZYZBQSA-N 478.291 4.526 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2529633 RPXGOOUPJTYQIN-WYMPLXKRSA-N 458.257 4.885 50 50 JJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc4ncccc4c3)ccc2[C@H]1c1ccc(F)cc1F 1775975368 AOXRBPPUXCBXFN-XMMPIXPASA-N 455.420 4.950 50 50 JJGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c2ccccc21 12416862 CEJNRDKJTPZQJO-NDEPHWFRSA-N 491.507 4.530 50 50 JJGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(=O)c1cccc(Br)c1 2521159 JBOBMFLNVNEOAB-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1OC 2530430 JZPOKNVSBALSGG-OGLMXYFKSA-N 454.482 4.840 50 50 JJGA CN(C)c1ccc(C(=NNC(=O)c2cccc(Br)c2)c2ccc(N(C)C)cc2)cc1 3184869 LBZUHZWIUYWEFK-UHFFFAOYSA-N 465.395 4.764 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OCC)cc1 4283164 NKLGDNWQRVTMRE-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 17136209 KLJXZPYYWZRKPP-YUMHPJSZSA-N 480.908 4.728 50 50 JJGA CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCCC2 714781 KHAHKRPZBMGOGC-JOCHJYFZSA-N 488.613 4.893 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nc2ccccc21 945986 CWHLQKYMEQDVPV-JVWAILMASA-N 474.586 4.886 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 2390664 AMOIHLYDDPZLPL-WSDLNYQXSA-N 458.634 4.780 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4259286 COVYLSQTPJKMIP-VULFUBBASA-N 481.346 4.814 50 50 JJGA CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 257355997 FBRAWBYQGRLCEK-NQAZJWIRSA-N 478.988 4.701 50 50 JJGA CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nc2ccccc21 945979 AMSYNWIGXXLCRE-JVWAILMASA-N 474.586 4.886 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 2530386 CSSJGYZFGYGPRH-RWPZCVJISA-N 468.465 4.560 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1[N+](=O)[O-] 13239712 QXQHBAHDAZELJK-DHRITJCHSA-N 479.949 4.889 50 50 JJGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402662 KPUBODYJEJIHFR-KFJJEBECSA-N 474.156 4.991 50 50 JJGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2530352 VLJXFFPQTOYUGT-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCC(=O)NNc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2878875 YAJOOABMZGTGQR-IBGZPJMESA-N 464.610 4.652 50 50 JJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC 720221 DFXZEYQWBNXGBQ-JOCHJYFZSA-N 465.500 4.923 50 50 JJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 3114810 QPCWYVWIGPVGGV-STPJHCLOSA-N 453.336 4.946 50 50 JJGA O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21 138768106 FMACFWAQBPYRFO-UHFFFAOYSA-N 458.425 4.671 50 50 JJGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CI)CC[C@@]43C)[C@H]1CCC2=O 254290609 MLUAUWXRNXTGCU-GLDUVZCJSA-N 456.364 4.865 50 50 JJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 673422 SCCDJMIVYOCERI-RBTNQOKQSA-N 486.531 4.985 50 50 JJGA O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 2542585 QHJNGKUEUJHVKF-MZJWZYIUSA-N 460.873 4.888 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)cc1 4283522 RASCLFKVYIVFBR-OGLMXYFKSA-N 476.529 4.541 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 2506360 CXCODHANEVPRAC-LQKURTRISA-N 460.530 4.875 50 50 JJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1c[nH]c2ccc(Br)cc12 4229869 DUIFWAKFVNFGAH-YCPBAFNGSA-N 489.782 4.679 50 50 JJGA C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 12361927 YDZPYXCUWNNAMD-SSEXGKCCSA-N 470.532 4.625 50 50 JJGA Cc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(C)cc3[N+](=O)[O-])c2)c(C)c1 2795639 XWHKWHZJHIDTIG-UHFFFAOYSA-N 464.547 4.730 50 50 JJGA CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2867195 WIDDYDRFOOZCMU-SFHVURJKSA-N 461.587 4.582 50 50 JJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 13239295 PUAJPVUJSNLKFS-AFUMVMLFSA-N 459.531 4.544 50 50 JJGA CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 1775965039 RQLYERBTTKYZDC-QFIPXVFZSA-N 478.863 4.842 50 50 JJGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 20170535 GHFQGYOBVPMVCS-RUZDIDTESA-N 491.613 4.901 50 50 JJGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 252539004 NRDZIFWZDGSDNU-LQKURTRISA-N 462.594 4.717 50 50 JJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 731187 RQQGXAYJOJBAJM-AFUMVMLFSA-N 467.319 4.506 50 50 JJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1OC 2530469 SXINUCPQSJLYOE-MUFRIFMGSA-N 490.556 4.884 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 1144132 NKHMIVCMQRJEDI-FQEVSTJZSA-N 457.317 4.831 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1Cl 2530434 SGPZNTWRGBGEAQ-LQKURTRISA-N 471.900 4.801 50 50 JJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 6284137 YBKYHVWIYLMQRF-NRFANRHFSA-N 450.520 4.532 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc(Cn2cncn2)cs1 12402306 XVWGJONPUOEATO-QFIPXVFZSA-N 491.020 4.982 50 50 JJGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1Cl 20255622 KOTTXLIOXKUQFT-QHCPKHFHSA-N 498.004 4.980 50 50 JJGA COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 22023099 QKODYCMQJXSWMS-VIZOYTHASA-N 461.455 4.906 50 50 JJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 25782988 JJDYVYZPKHGMOU-XMMPIXPASA-N 484.581 4.922 50 50 JJGA COc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 108192595 YSTSQKGUJCQWQB-SFHVURJKSA-N 452.361 4.604 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 1145327 FDQSGNQDYKAOOL-OAQYLSRUSA-N 469.310 4.982 50 50 JJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)cc1 2529561 AJMMUSAMQXPKIP-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4355438 GHMPUCXMAWJASU-LQKURTRISA-N 499.479 4.748 50 50 JJGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 15012387 RLFZNDWNWIDENF-STZFKDTASA-N 472.497 4.917 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 2531426 QUZLVWCCGXRDHG-WCMJOSRZSA-N 499.954 4.901 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1 2531849 QDRAHJAXYHOWPX-OGLMXYFKSA-N 454.482 4.927 50 50 JJGA O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1sc2ccccc2c1Cl 2968526 XCKVOYCSVZTSMK-FBCYGCLPSA-N 454.689 4.695 50 50 JJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4283035 CTCKOGIUNYTQAS-JMKVTYIUSA-N 473.348 4.647 50 50 JJGA CC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@](O)(/C=C/[C@@]34CC[C@@H](C[C@H]3O)C4(C)C)[C@H]2O1 169835126 GSZXMOZWPMPAMT-VOOGFTNJSA-N 482.734 4.749 50 50 JJGA O=C(N[C@@H](CSSc1ncccc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21 2539224 POIHHIXLTDNIII-IBGZPJMESA-N 497.554 4.722 50 50 JJGA Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cc(C)ccc2C)cc1 2965813 YBXNXTKYRWHROE-CVKSISIWSA-N 469.994 4.611 50 50 JJGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2597748 MQVGVIUTGOSGDK-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1 15799341 IPMLVLALJSWMRR-UGQDJQHGSA-N 461.562 4.705 50 50 JJGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 1109031 KAQWNDYSAWKCFM-XMMPIXPASA-N 458.562 4.820 50 50 JJGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 4260433 VRSVJCBUOVDZIT-NGAHGMLCSA-N 493.357 4.905 50 50 JJGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccccc2)cc1 1763232 FSOOPBMLOMKAFX-JVWAILMASA-N 475.549 4.715 50 50 JJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 4372575 PMCYBQZBNWHLAP-ZVHZXABRSA-N 484.293 4.583 50 50 JJGA CCOc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC)cc(Br)c1OCC 20175616 QTYASKZCKVVZGX-MDWZMJQESA-N 479.352 4.640 50 50 JJGA COc1ccc(/C=C(C#N)\C(O)=N\c2nc(-c3ccccc3)cs2)cc1OCCN1CCOCC1 20259300 ZOMCRNZZPOQMLC-QNGOZBTKSA-N 490.585 4.725 50 50 JJGA C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 254500073 GXFWIUAHRJHXCB-ZAKVZCPOSA-N 460.361 4.775 50 50 JJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 1468977 LUKANNJFJHUSTR-VULFUBBASA-N 475.892 4.981 50 50 JJGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 8411403 KNULJHHUNWNIOG-RUZDIDTESA-N 499.571 4.927 50 50 JJGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 9012355 UPDBEIQTSGZDFP-NRFANRHFSA-N 450.926 4.821 50 50 JJGA COc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 705643 PCZMGHATDHIQDF-QHCPKHFHSA-N 459.546 4.653 50 50 JJGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2584789 BCHLUZHMSXFUDY-LGJNPRDNSA-N 473.312 4.994 50 50 JJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1O 13899289 JMVDPUAIVCLFHL-ZXVVBBHZSA-N 471.586 4.889 50 50 JJGA CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1OCC 8994975 TYZVYTGMVLZRCK-PKTZIBPZSA-N 493.585 4.734 50 50 JJGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccc(N(C)C)cc4)n[nH]3)cc2)cc1 9374760 GNEKVHRQAAGLPE-OGLMXYFKSA-N 453.546 4.794 50 50 JJGA O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)c1ccccc1O 2100101 NVPLYNCLRLYISM-VULFUBBASA-N 475.346 4.830 50 50 JJGA Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 8989785 VJXVLVHSQRZLSS-BLCKFSMSSA-N 488.547 4.781 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 13208775 IYVYLTPDYZQHRA-DHRITJCHSA-N 479.949 4.889 50 50 JJGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(F)c4)ccc32)cc1 1857799897 LXDOMANKBWSCNJ-JOCHJYFZSA-N 468.531 4.533 50 50 JJGA O=C(O)C(=O)[C@@H](C(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101022870 SHRKZGMZSSBMON-HHHXNRCGSA-O 487.899 4.539 50 50 JJGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 705443 YJQCZXRVRQKIES-QHCPKHFHSA-N 457.534 4.602 50 50 JJGA CCOc1ccccc1/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c1ccccc1OCC 4527663 FLLKXIZTDYSKDU-IABPKXMJSA-N 480.609 4.815 50 50 JJGA Cc1ccc([N+](=O)[O-])cc1N1C2=C(C(=O)CCC2)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C1n1cccc1 12462353 XBGQDOPNSFSHRW-NDEPHWFRSA-N 491.507 4.814 50 50 JJGA CCCC/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(OCC)cc1 20572448 KMNIUILRFKFXAX-VKZJTJHYSA-N 460.210 4.992 50 50 JJGA Cc1n[nH]c2c1[C@@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)C(C#N)=C(N)O2 1003025 ZZYSHPSUASXJDL-OAQYLSRUSA-N 487.361 4.611 50 50 JJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 1145057 JVVSPJGWVFTIDS-OAQYLSRUSA-N 469.310 4.982 50 50 JJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1 2531407 ZBSRZQSOKTVLBO-LQKURTRISA-N 483.480 4.805 50 50 JJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 2553472 WWKXXRJPRFZQPE-OCSSWDANSA-N 477.499 4.920 50 50 JJGA C=CCOc1c(I)cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1OC 2866041 WZWISWKVVLTUFZ-OVCLIPMQSA-N 462.243 4.837 50 50 JJGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl 25782923 QSRPJCNECMOXGY-QQTULTPQSA-N 469.284 4.583 50 50 JJGA O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2568823 RXZSKMXISSXNCF-DHRITJCHSA-N 487.737 4.851 50 50 JJGA O=C(NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(Oc2cccnc2)cc1 1472512650 BPNPKHLUCPKZIM-UHFFFAOYSA-N 452.396 4.502 50 50 JJGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2543209 ANFTYMNHXDXKRC-UXHLAJHPSA-N 495.535 4.855 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2570285 PQJBXDPOSKNPQM-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1OC 43190560 OQRVCDXVOMWBPJ-AFUMVMLFSA-N 469.335 4.809 50 50 JJGA COc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 2237503 JMVPZSXGRHQUEZ-XDJHFCHBSA-N 450.498 4.834 50 50 JJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2506425 MJTQOGYATRQAET-JVWAILMASA-N 464.905 4.897 50 50 JJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cc(Br)ccc1O 5296858 CFSMKZOUJMPSNE-DHRITJCHSA-N 495.402 4.795 50 50 JJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(F)cc1 43190769 INIMDKQPIAANHE-LGJNPRDNSA-N 485.309 4.645 50 50 JJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1064828 XRVAHIWYZQFZIY-FQEVSTJZSA-N 483.297 4.801 50 50 JJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2571672 QJEWVOATMWKLFH-DHRITJCHSA-N 487.737 4.851 50 50 JJGA Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc(O)cc(O)c1 13321583 PDYDIYVIZDTMGP-WYMPLXKRSA-N 455.308 4.512 50 50 JJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 2543090 DBVXSYBEOLAGRL-DCMOEJRUSA-N 466.921 4.876 50 50 JJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 4230252 DKKFSVRBCNSDNO-DHRITJCHSA-N 455.283 4.880 50 50 JJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccccc3Cl)c2)cc1OC 20159249 VAOVXGRXWUXAPG-JFLMPSFJSA-N 451.910 4.764 50 50 JJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 43190589 SUYGSPHBBXVDLG-RPPGKUMJSA-N 490.730 4.955 50 50 JJGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc32)cc1 1775977310 SURIWWSHFZGAAE-JOCHJYFZSA-N 468.531 4.533 50 50 JJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 2933835 BOGJYVTYHSAKNG-AFUMVMLFSA-N 490.317 4.974 50 50 JJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 4259461 GXBDZTBFCNPVJZ-OGLMXYFKSA-N 493.947 4.827 50 50 JJGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3)n2-c2ccccc2)cc1OC 8575776 FXPJDEIOAKLWGT-OVVQPSECSA-N 487.585 4.584 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521163 IHGZFVNVHOFWIX-KQOTYMKHSA-N 472.541 4.967 50 50 JJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1 2521658 SXJGDGJGSPHJOJ-JVWAILMASA-N 466.921 4.877 50 50 JJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccccc1Cl 731321 CKVZJEGGFCYGHC-ORBAKXMTSA-N 487.737 4.505 50 50 JJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 2543202 PRPUGSVRUHRIRG-LGJNPRDNSA-N 473.312 4.750 50 50 JJGA N#CC1=C(n2cccc2)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377303 CUFGAPCKLOIQKJ-MHZLTWQESA-N 450.473 4.737 50 50 JJGA COc1ccc(NC(=S)NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)o2)cc1 20357289 LBTFEVRIPWUJIA-UHFFFAOYSA-N 453.564 4.930 50 50 JJGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C)c2)cc1 2543929 OCLMXYTVNHDWIU-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 4518254 QYGFSVWJNWRWSA-OVVQPSECSA-N 487.585 4.589 50 50 JJGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccc(Cl)cc3)ccc2c1Cl 20220592 WJACTXWBQGXTFI-UHFFFAOYSA-N 454.360 4.626 50 50 JJGA CC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2COC3(CCCCC3)O[C@@H]12)(c1ccccc1)c1ccccc1 169744747 KNJMNDGEMIBXDM-CYXNTTPDSA-N 464.678 4.920 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)c(Cl)c1 648604 FUDJRHYVBPPWMR-QFIPXVFZSA-N 454.885 4.881 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2542690 GYDMJDLAOGYYJH-RPPGKUMJSA-N 489.311 4.786 50 50 JJGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c(Cl)nc2c1 4231900 HNKWRJVFAQCLHP-CVKSISIWSA-N 478.961 4.761 50 50 JJGA COCc1cc(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)ccc1OC 20227823 ZMENYHWVEYTCDN-WOJGMQOQSA-N 462.527 4.902 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1Br 1810195 ZHBJWUGNNYEGEQ-MFKUBSTISA-N 492.402 4.939 50 50 JJGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc(Br)c1 2521120 OHYXWCZFRGQKHK-AFUMVMLFSA-N 467.319 4.749 50 50 JJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(OCc2ccccc2F)cc1 8553530 WMSCLOSVNGUANL-QHCPKHFHSA-N 482.471 4.742 50 50 JJGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)[nH]n2)cc1 2377717 YSSINBIAIJXSDV-UHFFFAOYSA-N 459.550 4.902 50 50 JJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 102294917 FUWKWDOFEGVEID-VUTHCHCSSA-N 481.593 4.621 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1cccc(C(F)(F)F)c1 2776556 LJIPMJJMZJPPLP-FQEVSTJZSA-N 456.424 4.543 50 50 JJGA CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 4331071 IJLGNDXOPHRAKU-CVKSISIWSA-N 452.894 4.730 50 50 JJGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2518455 XBOYOOMHGFMCTR-LGJNPRDNSA-N 470.312 4.610 50 50 JJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402227 FCFIPAMJUNXYTQ-VWLOTQADSA-N 496.464 4.892 50 50 JJGA COC(=O)c1c(NC(=S)NNC(=O)c2ccc(F)cc2Cl)sc(C)c1-c1ccccc1 20294090 FRCSXRLKVYHZGE-UHFFFAOYSA-N 477.970 4.934 50 50 JJGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1472169 GXYSGLKOBUAGLX-NRFANRHFSA-N 452.341 4.924 50 50 JJGA CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]n2)cc1 102302565 SINNGENRKZFXLF-YZSQISJMSA-N 450.539 4.991 50 50 JJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 1789082 BRDKYPVKXUWISU-VULFUBBASA-N 465.941 4.969 50 50 JJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 5403334 MIBDXELIIQYHOT-YZSQISJMSA-N 459.531 4.625 50 50 JJGA CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543205 OHLVAVJATKZISG-MFKUBSTISA-N 467.319 4.831 50 50 JJGA CCO[C@H](CCl)/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1Br 4577356 GZLMKSUBVPSCTB-QMHKHESXSA-N 450.807 4.600 50 50 JJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 5350795 JVEMUQBOMWWJSH-OVVQPSECSA-N 473.558 4.934 50 50 JJGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc4ccccc4c3O)c2)cc1OC 20159102 XGSQDTZHJBYSHB-OCSSWDANSA-N 483.524 4.969 50 50 JJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2cccc(C)c2)cc1 2530315 FUJFOPXPSIHDLZ-STBIYBPSSA-N 468.509 4.905 50 50 JJGA CCCCOc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)cc1 4231461 CCVNQJYYRKYMOH-SSDVNMTOSA-N 469.177 4.737 50 50 JJGA CCOc1ccc(/C=C2\CN(CC)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 19898850 XUJXQAZCYLFDEY-MXGDOUBOSA-N 457.574 4.965 50 50 JJGA COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 13563236 MLWXHGNEJNEYEX-RWPZCVJISA-N 475.501 4.746 50 50 JJGA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1 239203384 SGTHSTZLBWKEHP-SOXBMFEASA-N 456.336 4.605 50 50 JJGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 2531415 HGJFGSVQDDERHH-KBVAKVRCSA-N 479.536 4.556 50 50 JJGA COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1Cl 2570281 QLUIOVWKWRDNMH-MZJWZYIUSA-N 466.921 4.714 50 50 JJGA Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2727077 UHLSNACNEIKTHA-UHFFFAOYSA-N 474.973 4.813 50 50 JJGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 1468521 OHXONXBCJSRFHZ-AFUMVMLFSA-N 461.319 4.976 50 50 JJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 8442719 OIJCTUUCTXLNFB-QHCPKHFHSA-N 474.517 4.553 50 50 JJGA