smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)Cc4cc(C)ccc4[C@@]3(C)O2)OO1 238737578 SZMDSEBGARTKFL-ZTQMRLQUSA-N 416.558 4.876 50 1 HJGF CN(C)C(=O)c1ccc2c(c1)[C@@](CCCCCCl)(c1ccccc1F)NCC2 962929167 HCMJWSDOQQXQRK-HSZRJFAPSA-N 402.941 4.716 50 1 HJGF C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544190 NANJGDSPEFKTQM-OFNKIYASSA-N 410.853 4.756 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)O2 587372271 KCBPENWWYBOSJA-DEOSSOPVSA-N 424.928 4.724 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3c(O)coc3cc1OC)CC2=O 587461165 PZMATVKFHVJSNV-QFIPXVFZSA-N 416.857 4.905 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587733036 NCABBUWMFHBJPE-XUSGNXJCSA-N 408.274 4.570 50 1 HJGF CCOC(=O)NN=C(C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356506853 LJXRMMRZNQCIDI-XHCBTQSISA-N 400.563 4.968 50 1 HJGF Cc1c(Cl)ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009476 HICGWIJYDFBWDL-KRWDZBQOSA-N 401.297 4.645 50 1 HJGF C[C@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544186 NANJGDSPEFKTQM-NFBKMPQASA-N 410.853 4.756 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)CCl)c2)N1 587849281 SACZZHJTSQEDEO-XYZCENFISA-N 416.743 4.869 50 1 HJGF O=C1CCCc2cc([C@]3(CCl)NCCc4c(Cl)cc(Cl)cc43)ccc2N1 963110844 QKYZDIMSUMOQME-FQEVSTJZSA-N 409.744 4.896 50 1 HJGF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCBr)c1)CC2=O 587455823 GRCULPQTFNBDDZ-IBGZPJMESA-N 405.288 4.825 50 1 HJGF CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1 1772596645 BOJJPUWMSNWHBZ-NRFANRHFSA-N 407.477 4.707 50 1 HJGF C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568856 ODTGPOPSSPNBCJ-QJFTZQMRSA-N 404.393 4.620 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OC)c1C)([C@H](C)Cl)CC2=O 587458862 LTFGWCLGQHZMFR-XMHCIUCPSA-N 419.905 4.564 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CCBr)N1 587672809 IDOWDVYXRHAACQ-NSODJVPESA-N 405.149 4.903 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCO3)N1 587682842 DWQAYJZGGOXIJB-WLRWDXFRSA-N 410.714 4.540 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100863812 KVHGGKMBZYNYJO-XPRHLORGSA-N 400.515 4.788 50 1 HJGF COc1cccc2cc3c(nc12)[C@](CBr)(c1ccc2occc2c1)NCC3 963064941 HSRVDSHHZUSBFC-QFIPXVFZSA-N 423.310 4.774 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1ccc(F)cc1F)O2 587386668 WACQDYNQMCBMPI-IEBWSBKVSA-N 410.258 4.586 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(/C=C/C=O)c2F)N1 587725593 FEIIPRISYJBCKK-OLGUCIJZSA-N 406.270 4.737 50 1 HJGF CCN(CC)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374232 OSLXTFRDGSUSBI-OAQYLSRUSA-N 417.347 4.679 50 1 HJGF CCCc1c(O)ccc2c1OC([C@H](C)Br)([C@H](C)Br)CC2=O 587451062 HTIPKNIGPVHIOY-UWVGGRQHSA-N 420.141 4.616 50 1 HJGF CCOc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541854 DMZFVXXBVBZUOA-NZQKXSOJSA-N 410.853 4.887 50 1 HJGF Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587671664 AABYNXCVZHVYGM-ABKXIKBNSA-N 417.116 4.662 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccsc2)N1 587852378 GALBZBDIMNMUDA-BJOHPYRUSA-N 419.157 4.822 50 1 HJGF CC#C[C@@H]1[C@H](OC(=O)c2ccccc2)CCC[C@]1(CI)N=[N+]=[N-] 299815451 GFTMITPUFPQSRQ-BFYDXBDKSA-N 423.254 4.520 50 1 HJGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](Br)c1ccccc1F)[C@@H](C2)C3=O 587425811 HVPDEFWFDWALMC-IWMITWMQSA-N 417.274 4.867 50 1 HJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1 587649025 OALMFMNKWBWCRX-UHFFFAOYSA-N 412.736 4.829 50 1 HJGF C#CC=C[C@H](Cl)[C@H](OC(C)=O)[C@@H]1CC=C(Cl)C[C@H](Br)[C@@H](CC)O1 2356550738 YJTPAUDBSKEZCC-KSWRQPAISA-N 424.162 4.559 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(F)c2)N1 587726168 VMDWJPUEBGHLCU-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726583 XZGHMLKCVCJREJ-MLCYQJTMSA-N 416.693 4.753 50 1 HJGF C[C@@H]1C(=O)C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@@H]12 221738496 WMHBEFUORLLZEJ-ZYWOQWQBSA-N 406.642 4.813 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)O2 587374340 WWZKGBPMMMTWHP-JOCHJYFZSA-N 400.906 4.661 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587411626 FPEJNYYBZRMEDM-YCRPNKLZSA-N 412.283 4.523 50 1 HJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688274 KPDVXNJSEUHFNS-PBQZTSCYSA-N 420.750 4.534 50 1 HJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3([C@@H](Cl)CCCCC[C@H]3Cl)N12 962637094 KHLFISXHUITAMH-OSZJIOELSA-N 421.368 4.708 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCCCl)(c1c[nH]c4ccc(C#N)cc14)[C@@H](C2)C3=O 587421410 LUGWKDSJTKQSDT-GAJHUEQPSA-N 406.869 4.710 50 1 HJGF C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587686322 CKWCVHKAFFHUHK-RMDKCXRXSA-N 422.729 4.870 50 1 HJGF Cc1cc(C)c[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)c1 95596483 XHBWDRRIQAKKCL-JOCHJYFZSA-N 423.521 4.935 50 1 HJGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587417461 KVPIEZOFYPXSBE-HNAYVOBHSA-N 407.691 4.730 50 1 HJGF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)N(C)[C@H](C)C2 962633454 TXJVPXGZPOYARQ-WOZUBWMWSA-N 418.965 4.599 50 1 HJGF C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](Br)CC)O1 59204557 ZKQZHWSHCZDGAY-CXDOEFTCSA-N 410.577 4.824 50 1 HJGF CC(C)c1ccc(C(=O)CCCC(=O)NCCCSSCCN(C)C)cc1 618012545 PCFPJYNEYJVRSE-UHFFFAOYSA-N 410.649 4.612 50 1 HJGF COc1cccc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 98082496 CRXOBJOPDGEAIH-LGJNPRDNSA-N 414.387 4.617 50 1 HJGF N#CC(C#N)=Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)o2)cc1 103186336 TWTBJXYZGZIUTB-UHFFFAOYSA-N 408.870 4.992 50 1 HJGF CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(cccc4n2)CC3)c1C 587216548 FGPDTYOWYAEHJN-UHFFFAOYSA-N 414.914 4.724 50 1 HJGF COC(=O)[C@@H](CCCCCC(Cl)Cl)[C@H](CCCC#CC=CCl)NC(C)=O 2356700291 GRLUPGAXRLOURI-IRXDYDNUSA-N 424.796 4.961 50 1 HJGF CCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)O 43121342 MVIULGKBESUZEE-MSOLQXFVSA-N 411.589 4.762 50 1 HJGF C=CCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323779 UFMZKELGIIFTTR-QUCCMNQESA-N 405.263 4.990 50 1 HJGF CCOP(=O)(C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587530136 DTDIIRSJSIKGTP-LJQANCHMSA-N 400.839 4.774 50 1 HJGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccccc1 96934038 TTWWMNDNYMMOHF-UKAVVXHISA-N 418.367 4.808 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1F 587567598 HRSOADGAFXSMBQ-NQIIRXRSSA-N 402.780 4.766 50 1 HJGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NC(=O)N(CCCl)N=O 169332842 XWDPKRCDQWEOAX-AGRFSFNASA-N 405.926 4.549 50 1 HJGF O=C(N/N=C/c1cccc(Cl)c1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751757 VNMKMYNOFJYDLZ-AFUMVMLFSA-N 402.837 4.877 50 1 HJGF C#CC=C[C@H](Cl)[C@H](OC(C)=O)[C@@H]1CC=C(Cl)C[C@@H](Br)[C@@H](CC)O1 2356550736 YJTPAUDBSKEZCC-ALYAQQCSSA-N 424.162 4.559 50 1 HJGF COc1cccc([C@H](C)N(C)CCCNC(=O)CCCC[C@H]2CCSS2)c1 254101195 IEDFSYAYEIZFGF-PXNSSMCTSA-N 410.649 4.908 50 1 HJGF Cc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848508 WTBMHHXSFIJSOH-ORAYPTAESA-N 405.336 4.889 50 1 HJGF CCOC(=O)/C(C#N)=C1\C=CN(C2CC2)c2c1cc(F)c(-c1cc(C)nc(C)c1)c2F 38361457 KHLRGQQARZQKCT-HTXNQAPBSA-N 421.447 4.980 50 1 HJGF C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543832 LTVQBTWUFXVXDQ-DPOVEGGPSA-N 420.852 4.753 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587692181 ATHNKPYLUWERFH-APBUJDDRSA-N 419.681 4.819 50 1 HJGF CCCNc1c(C(=O)OCC2CC2)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13675583 XZENHENQIZXPLF-IBGZPJMESA-N 412.921 4.800 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)ccc1OC)CC2=O 587455792 GEGFXIUBZBFWIB-NRFANRHFSA-N 419.315 4.917 50 1 HJGF COc1ccc2c(c1)[C@H](c1ccccc1OCCBr)N(C(C)C)CC2 962095468 YWORWXJVINWUSH-NRFANRHFSA-N 404.348 4.825 50 1 HJGF O=C(NN=C(c1ccccc1)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 2356874015 WWOAOIYGRPBDDI-UHFFFAOYSA-N 424.254 4.540 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)O)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 1911582701 QGMNDQSNVMHXRY-HUYNSWNUSA-N 416.514 4.568 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)O2 587372176 JXDFPHQOWRNAAP-FPTDNZKUSA-N 400.906 4.660 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CBr)c1 587875507 WIVUEKBMGZUREZ-UHFFFAOYSA-N 411.126 4.599 50 1 HJGF COc1ccc([C@]2(CCl)NCCc3c2sc(C)c3C)cc1Br 963010321 NJXUQRUJQVHEEV-KRWDZBQOSA-N 400.769 4.764 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)Br)(C(F)(F)F)N1 587706152 OJVYVAJLXOBAQA-NQYJQULFSA-N 419.054 4.663 50 1 HJGF Cc1ccccc1-n1c(=O)c2ncn(CCCl)c2n(-c2ccccc2C)c1=S 1651043 PTLVJVYBRPUEKZ-UHFFFAOYSA-N 410.930 4.563 50 1 HJGF Br[C@@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1 13682970 JWWRXMQFDXHSCD-SFHVURJKSA-N 408.303 4.575 50 1 HJGF CC(C)(C)c1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1 103209082 ORXCOXSSDCOYNQ-VYIQYICTSA-N 411.505 4.665 50 1 HJGF COc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587846293 QBKBSKBUCGBVIC-BUXKBTBVSA-N 421.335 4.589 50 1 HJGF O=C1CCCc2cc([C@@]3(CCl)NCCc4c(Cl)cc(Cl)cc43)ccc2N1 963110846 QKYZDIMSUMOQME-HXUWFJFHSA-N 409.744 4.896 50 1 HJGF COc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497434 CHXBCKXMLHVYSG-NRFANRHFSA-N 401.300 4.830 50 1 HJGF Cc1cc2c(c3oc(=O)c(CCCCl)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473084232 RAMADEFLPZOBFQ-UHFFFAOYSA-N 424.880 4.835 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2CC[C@H]1Br 587493890 HFFZKUPMSDRFBZ-IEBWSBKVSA-N 407.329 4.977 50 1 HJGF C[C@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609914 AUKPOJOMEKIUJT-WIYYLYMNSA-N 414.866 4.752 50 1 HJGF COC(=O)c1sc(-c2ccccc2F)nc1C(Br)Br 72170827 BZFOPNFXYSALKC-UHFFFAOYSA-N 409.074 4.524 50 1 HJGF COc1cc2c3c(c1)O[C@](C1CC1)([C@H](Br)c1ccccc1F)[C@@H](C2)C3=O 587425912 HVPDEFWFDWALMC-RVHYNSKXSA-N 417.274 4.867 50 1 HJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)CC2=O 587462452 OUSTUBVZAVNGHV-QHASNUMTSA-N 410.901 4.828 50 1 HJGF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CBr)[nH]c12 586972399 PMESCOKRGNSZQH-UHFFFAOYSA-N 416.172 4.868 50 1 HJGF CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 95562119 IOISSDJCKFHNHG-JVWAILMASA-N 411.383 4.988 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)CCCl)CC2=O 587458812 FTDRODKIXLOKBY-JOCHJYFZSA-N 401.890 4.793 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O 587459752 PHUWEHLYACUDGS-DMZKTXOQSA-N 401.890 4.791 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587701543 UYMBFHGHCVFFLA-APBUJDDRSA-N 419.681 4.819 50 1 HJGF C[C@@]1(c2ccc(CCl)cc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177084 HWXBAUZMWPTTJZ-KDOFPFPSSA-N 418.242 4.960 50 1 HJGF ClCc1c(-c2ccc3c(c2)OCCO3)[nH]c2c1c(Br)cc1n[nH]cc12 587621944 QFEIKYMXXZFCHQ-UHFFFAOYSA-N 418.678 4.984 50 1 HJGF COc1cc2c(cc1OC)[C@@](CCl)(c1c[nH]c3ccc(F)cc13)N(C)[C@H](C)C2 962644470 YDLPXJJTYQOZBT-DMZKTXOQSA-N 402.897 4.683 50 1 HJGF C/C(=C\Cc1ccccc1)CCC[C@@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@]2(O)OO1 85775905 UKQVHATZFXVPJW-ONIDMEPISA-N 402.531 4.877 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc4ccccc14)[C@@H](C2)C3=O 587413275 MGECCFDLSMRTPT-PGRDOPGGSA-N 409.279 4.886 50 1 HJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CCl)ccc41)[C@@H](C2)C3=O 587421466 MIAXTRUAOJMDDZ-NBGIEHNGSA-N 416.860 4.670 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@H]1Br 587460058 RCVJEPQSFMVGHC-TZIWHRDSSA-N 401.300 4.915 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=CC(=O)O[C@@H]1O)CC[C@H]1C(C)=CCCC1(C)C 2356581474 XJKDZNIKFFJKMU-FIXSFTCYSA-N 416.558 4.554 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(CCl)c2O)N1 587725013 BADRMJVEFVRMFQ-LZVRBXCZSA-N 416.693 4.969 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CCl)c(CCl)c1 587885055 ATCOCJSHCBXCIY-UHFFFAOYSA-N 416.135 4.576 50 1 HJGF CCCCCCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3s2)c2ccccc21 40391474 GHDGALTYQIEWLN-FLFQWRMESA-N 405.523 4.962 50 1 HJGF CCSc1nc(N2CCCCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 13682759 HFYFQAZHUVETMA-KRWDZBQOSA-N 401.967 4.909 50 1 HJGF Cc1noc(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325317 DMEGMUVCQMSFRS-FPOVZHCZSA-N 401.821 4.629 50 1 HJGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376393 XKQUEPIJIGUXHZ-AZUAARDMSA-N 404.304 4.620 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC)c1)CC2=O 587457183 VRTKAUGFXNOGEH-HXUWFJFHSA-N 405.288 4.609 50 1 HJGF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCBr)c(Cl)c1)[C@@H](C2)C3=O 587414908 YOMGWBQAYYPEQM-DJJJIMSYSA-N 423.690 4.611 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O 587459759 PHUWEHLYACUDGS-WHEQGISXSA-N 401.890 4.791 50 1 HJGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1 96939301 QOXSLPNLXAITJM-ZIAGYGMSSA-N 418.061 4.640 50 1 HJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CCl)cc41)[C@@H](C2)C3=O 587422711 RNMZKHDIHZOZBF-CPJSRVTESA-N 416.860 4.670 50 1 HJGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@H](O)[C@@]45C 2356287836 QGLGJVXUKKCOIZ-SQVUJXPOSA-N 400.559 4.652 50 1 HJGF CCNC(=O)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1 1642244 QHBSSPKZAXAUCM-UHFFFAOYSA-N 420.904 4.695 50 1 HJGF COc1ccc(/C=N/NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 98082497 JZAHOFDZOHUSCA-LGJNPRDNSA-N 414.387 4.617 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O 587411669 FXPLDZJAOZRICA-PGRDOPGGSA-N 415.327 4.932 50 1 HJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CSC#N)c1cccc2ccccc12 963632008 DODWJRDMIJOUON-UPCLLVRISA-N 404.535 4.849 50 1 HJGF N#CC1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337982 SPGVWLXTMKVODP-ISKFKSNPSA-N 417.367 4.725 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416617 BOMNCDCJFPVUIK-ZGJHTFNLSA-N 413.901 4.560 50 1 HJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587505870 QNJOVUCURFUCRB-NRFANRHFSA-N 419.290 4.969 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2)N1 587674213 UUKOMOTXAFQZCX-GTNSWQLSSA-N 413.128 4.761 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)COC3)N1 587682922 FBLQHPRTFZRHCZ-WLRWDXFRSA-N 410.714 4.635 50 1 HJGF O=C1/C(=C/c2ccc(F)cc2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc(F)cc1 1911573359 SUFAQGNKQILBAY-KAVGSWPWSA-N 422.258 4.647 50 1 HJGF C[C@H](Cl)C[C@H](Cl)[C@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023939 JCZLPKRNKATTIH-LTRXETERSA-N 403.353 4.608 50 1 HJGF O=C(N/N=C\c1ccccc1Cl)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 103284077 LWZLJVIAOAMZFS-OPVMPGTRSA-N 418.255 4.546 50 1 HJGF O=C1C[C@](CCl)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 587498552 OIYXFZUEXYQESX-DEOSSOPVSA-N 409.913 4.792 50 1 HJGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(N(C)C)cc1 221744355 VKVOJEPEWZNPQR-YFYZNPQRSA-N 419.352 4.865 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CBr)(CC2CC2)[C@@H]1c1ccc(F)cc1 587324411 YTTRPAOOSRFAQZ-QUCCMNQESA-N 405.263 4.824 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@H](C)Br)[C@@H](C2)C3=O 587414024 KBPLKXXOBVEKDX-BPGAAWKESA-N 413.311 4.610 50 1 HJGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CCl)c1c[nH]c2ccc(F)cc12 961318422 HBOHUJDKDRRBOD-QHCPKHFHSA-N 416.924 4.693 50 1 HJGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@H]3C[C@@H](Cl)C3)c2)[nH]1 1857547834 UNPCCYFJMCHROL-OKILXGFUSA-N 416.909 4.956 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=C[C@H](O)OC1=O)CCC1=C(C)CCCC1(C)C 2356795153 IJTISNDTHPBRLA-XZOQPEGZSA-N 416.558 4.698 50 1 HJGF O=C(Nc1ccccc1Br)c1ccc(N(CCCl)CCCl)cc1 49767670 CQQNFOOXUBFINM-UHFFFAOYSA-N 416.146 4.985 50 1 HJGF COc1cc2c(cc1NC(=O)NCCSSCCN(C)C)oc1ccccc12 618007628 IWPOSLJVLFBZMH-UHFFFAOYSA-N 419.572 4.659 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4 169371227 SPUDBSZURDOOGS-XVBHLLIISA-N 406.906 4.805 50 1 HJGF O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O 221321295 LJWSEPFSOCCFIA-KIBLKLHPSA-N 404.775 4.894 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)O2 587382334 OYRXIYKQIPBBQQ-GOSISDBHSA-N 400.828 4.657 50 1 HJGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)c4ccc(F)cc4C[C@@H]4CCCN43)cc21 963096475 DTCOLPCBIPPVTF-MHECFPHRSA-N 412.936 4.948 50 1 HJGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=CC[C@@H](Br)[C@H]1O2 2356450043 GTAXFXIOLOZIPX-CTEVVMPDSA-N 424.560 4.827 50 1 HJGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1 96939299 QOXSLPNLXAITJM-UONOGXRCSA-N 418.061 4.640 50 1 HJGF C[C@H](Br)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322827 PCJSOBOCPSIRBF-SLIIYKDFSA-N 405.263 4.822 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1 587537619 IYJQOTNWDJTCGB-GHTZIAJQSA-N 411.251 4.990 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Br 587541852 DMHCIOWMGYDOQD-ZWOKBUDYSA-N 403.272 4.820 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CCl)cc21 587374292 IDYIYTIQMMQATE-DEOSSOPVSA-N 403.865 4.769 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587730572 FXVLUCPQUBRKHG-GTJPDFRWSA-N 408.274 4.570 50 1 HJGF Clc1cc(Cl)c2c(c1)[C@@](CBr)(c1ccncc1Cl)NCC2 963126983 YLRDXCKMKPRBDH-OAHLLOKOSA-N 406.538 4.826 50 1 HJGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586910088 LLZROORVZBRSOM-SSDOTTSWSA-N 423.201 4.941 50 1 HJGF C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587686321 CKWCVHKAFFHUHK-FDMGOTLNSA-N 422.729 4.870 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(/C=C/C=O)c2F)N1 587725591 FEIIPRISYJBCKK-HVERVZLVSA-N 406.270 4.737 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2F)N1 587731277 YTINSYICZYAFST-BBATYDOGSA-N 409.299 4.719 50 1 HJGF COCC(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587563529 SOMIORSZBUOAPM-UHFFFAOYSA-N 409.174 4.741 50 1 HJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499545 VGXYADSHESDWDL-GCJKJVERSA-N 405.922 4.518 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587686657 WQEWHUNLVWDJCY-GIGQVBGESA-N 423.713 4.792 50 1 HJGF COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](Br)C2 587499682 ULCFFSUSNKICLP-RBBKRZOGSA-N 413.311 4.754 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CBr)CC2 587537514 GSXSUJRQPNMPEQ-RNHGABITSA-N 403.272 4.678 50 1 HJGF Cc1cccc2c1[C@@](CCl)(C1(C)CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852242 BGXORMMMZKZDHJ-ZHRRBRCNSA-N 407.938 4.866 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCO3)N1 587682512 CPEPTFJTAQWQDK-WYRIXSBYSA-N 410.714 4.540 50 1 HJGF CN(C)c1ccc(C(=NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 2356516186 ORRMUSMLOGQRNP-UHFFFAOYSA-N 422.326 4.698 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(=O)c3ccccc3)cc1)O2 587371851 HESUUTFRYYHNQW-XMMPIXPASA-N 420.896 4.929 50 1 HJGF CN1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2NC1=O 587499557 VJUGDKVGVNDZNT-QHCPKHFHSA-N 410.901 4.642 50 1 HJGF COc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542096 FQIAXFLELVEKJU-JOGUKUGOSA-N 410.853 4.885 50 1 HJGF Cc1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610830 YCBFJWIFONAOPC-OFNKIYASSA-N 403.459 4.772 50 1 HJGF O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1Br 6998835 UXAVEGZAUVEVFY-OEAKJJBVSA-N 409.283 4.645 50 3 HJGF O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 58519798 WVPVGHRYTKYZBI-YDZHTSKRSA-N 419.282 4.756 50 1 HJGF CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2c1 587187860 LPSWTCVDUUSYKS-OVCLIPMQSA-N 410.271 4.875 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(CCl)c2O)N1 587726854 LNSZVYWCVQSDHN-NIVTXAMTSA-N 416.693 4.969 50 1 HJGF C[C@H](Cl)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884322 IVGORVKMZAANAR-ZDUSSCGKSA-N 408.712 4.514 50 1 HJGF CCSc1nc(N2CCCCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13682755 HFYFQAZHUVETMA-QGZVFWFLSA-N 401.967 4.909 50 1 HJGF Cc1ccc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)cc1 29037240 WDSYUBGEGAYUPY-UHFFFAOYSA-N 400.906 4.559 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)O2 587371533 GIQYOCKQLXXKJM-VERVWZFWSA-N 412.873 4.770 50 1 HJGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCN=C=S 22938892 AGJBKBQANMMVEF-BGYRXZFFSA-N 406.599 4.682 50 1 HJGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586907522 GWCLSVVUQDVEMM-UHFFFAOYSA-N 409.174 4.898 50 1 HJGF O=C(O)c1ccnc2c(SSc3cccc4c(C(=O)O)ccnc34)cccc12 217372307 UKWDEWXEFULLOZ-UHFFFAOYSA-N 408.460 4.979 50 1 HJGF CCOC(=O)[C@]1(CCCCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587683923 IKJLKJFFWQGUSP-KPZWWZAWSA-N 420.750 4.680 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C[C@@H]2Br 587543217 JZSFHLWMVXRNSX-IPJJNNNSSA-N 423.262 4.569 50 1 HJGF COC(=O)c1cc2nc(CCCCBr)[nH]c2c(F)c1Nc1ccccc1 586972420 QJOYVNWHDKGOBO-UHFFFAOYSA-N 420.282 4.950 50 1 HJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587688273 KPDVXNJSEUHFNS-DPZKZMLUSA-N 420.750 4.534 50 1 HJGF Cc1cc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)on1 963819365 VXRSIUBEZDWSCH-HSZRJFAPSA-N 407.901 4.671 50 1 HJGF Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587671669 AABYNXCVZHVYGM-XXFAHNHDSA-N 417.116 4.662 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)ccc2O)N1 587689945 XWFQBUYZFHOEBB-XLFHBGCDSA-N 419.121 4.964 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)ccc2O)N1 587689946 XWFQBUYZFHOEBB-XYZCENFISA-N 419.121 4.964 50 1 HJGF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\CBr)[nH]c4c3)o2)cc1 586974740 YVLKFRFPNSPRMT-IHWYPQMZSA-N 411.259 4.697 50 1 HJGF N#CSC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567443 APDWDYJCXGZUJC-SIKLNZKXSA-N 407.422 4.603 50 1 HJGF CC(=O)c1ccc2c(c1)[C@@](C)(CCCCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632882 UPVZKGJLGUEMSN-PGRDOPGGSA-N 423.937 4.760 50 1 HJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCCl)[C@@H]3CC[C@@H]12 38628295 ZKYICTSKRHTRLQ-QHHRZPEUSA-N 406.010 4.603 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1ccc(F)cc1F)O2 587386669 WACQDYNQMCBMPI-MJGOQNOKSA-N 410.258 4.586 50 1 HJGF CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc(O)c1c2cnn1Cc1ccccc1 26574740 QMNHDADVWLRHKK-HNNXBMFYSA-N 413.905 4.868 50 1 HJGF COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587449542 PFCQBIXCNODULU-IFXJQAMLSA-N 406.290 4.859 50 1 HJGF CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 103249362 YRZDBTFSZCDLPO-OAHLLOKOSA-N 415.224 4.620 50 1 HJGF COc1cc2c3c(c1)O[C@H](c1ccc(OCCBr)c(Cl)c1)[C@@H](C2)C3=O 587414910 YOMGWBQAYYPEQM-ORAYPTAESA-N 423.690 4.611 50 1 HJGF O=C(CBr)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497521 CPGTWTYWYQUAIA-FQEVSTJZSA-N 415.283 4.555 50 1 HJGF CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(C=O)cc(OC)c2O)c1 42888922 IEFJKDJLRVPBNY-NWFTYUCRSA-N 410.334 4.764 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@H](C)Br)O2 587376682 XUHCIKDANQAFQE-ZSEKCTLFSA-N 400.316 4.710 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1 587724489 IMLJLVXYKNBPBI-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF Cc1cc(F)c(N=C=S)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587891836 GUFYKROSSNDHQA-UHFFFAOYSA-N 407.297 4.886 50 1 HJGF C=C(C(Cl)=CBr)[C@H](Cl)C[C@@H](O)[C@](C)(Br)CCl 2356657531 JLMLCMSOCWJUQU-SZEHBUNVSA-N 415.380 4.769 50 1 HJGF COc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841408 AWFQRLVPAHAJGW-BUXKBTBVSA-N 421.335 4.589 50 1 HJGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C(\C)c3ccc(F)cc3)sc2c1 1857590025 DKCXBJCJCAMECS-AFUMVMLFSA-N 413.522 4.823 50 1 HJGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 2356485398 FIJWKNVOCSKASL-DZTZBPHFSA-N 416.558 4.554 50 1 HJGF O=C1CCCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587498831 PDRSZFCZRJSETC-DEOSSOPVSA-N 409.913 4.940 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)ccc2O)N1 587689944 XWFQBUYZFHOEBB-VVVCHXIZSA-N 419.121 4.964 50 1 HJGF Cc1cccc2c(/C=N/NC(=O)c3cnc4c(C(F)(F)F)cccc4c3O)c[nH]c12 73138503 MZEOGBAUXSMTBX-OXUBWTJQSA-N 412.371 4.513 50 1 HJGF Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CCl)c1cccc(F)c1 95573921 SEDBNKCHMQYWTR-JOCHJYFZSA-N 416.924 4.896 50 1 HJGF C[C@@H](C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1 103278944 UMFPLTUONMUDNX-WPRPVWTQSA-N 414.291 4.865 50 1 HJGF C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543833 LTVQBTWUFXVXDQ-NOQKTNJKSA-N 420.852 4.753 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=C[C@@H](O)OC1=O)CCC1=C(C)CCCC1(C)C 2356795151 IJTISNDTHPBRLA-GOTSBHOMSA-N 416.558 4.698 50 1 HJGF O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43552734 RGFOIZSILGRXGD-UHFFFAOYSA-N 418.921 4.795 50 1 HJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)CC2=O 587461963 MENGABDHFBVNQG-HVMBHNBBSA-N 410.901 4.828 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)c2c(c1)COCO2 587549404 ZWHOMWDANQLZSJ-AUSIDOKSSA-N 424.836 4.700 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccs2)N1 587849824 WFKRPQQCBYPMNV-RFAUZJTJSA-N 419.157 4.822 50 1 HJGF O=C1C[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)Oc2c1ccc1c2CCCC1 587496369 CMYFHJDEIDDDOG-HSZRJFAPSA-N 411.885 4.622 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(NC(=O)OCCCCl)cc1 963257572 KVZBIWHEDJHLQN-NRFANRHFSA-N 423.340 4.935 50 1 HJGF COc1ccc2c(c1OC)[C@H](CCl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677610 MDFIWTSBQARDNX-HNNXBMFYSA-N 413.823 4.701 50 1 HJGF CC(=O)Nc1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)c1 1654937 OOTFLEGSOQRRHL-OAGJVSPASA-N 419.912 4.763 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1c(F)cccc1Cl)[C@@H](C2)C3=O 587424584 PMETXNYTCBPTJF-VOJFVSQTSA-N 411.654 4.526 50 1 HJGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCCC1 13491837 CELOTMPEJNSZJQ-IBGZPJMESA-N 412.921 4.578 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCc3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105025 ULFXMPVBUZAXFP-PTBRYTJWSA-N 416.514 4.568 50 1 HJGF COc1ccc(Cl)cc1C#Cc1csc(C(=O)CCl)c1Br 587918826 KMNSCCVRBJVCIK-UHFFFAOYSA-N 404.112 4.994 50 1 HJGF Cc1sc2c(c1C)CCN[C@@]2(CBr)c1sccc1Br 963031074 SSYOQXCVQXYWPK-CQSZACIVSA-N 421.223 4.973 50 1 HJGF O=C(NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 2356821922 VZCKPVHOMXJGNV-UHFFFAOYSA-N 424.254 4.540 50 1 HJGF COc1cc(N[C@@H](C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1 82158230 YLKPACAURUVGKE-HNNXBMFYSA-N 424.457 4.521 50 1 HJGF CC(=CBr)[C@H](Cl)C[C@H](Cl)[C@@](C)(Cl)[C@@H](O)CBr 2356861725 UMMKJQWCXYYLGI-XFWSIPNHSA-N 417.396 4.643 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@H](Br)c1ccccc1F)O2 587384847 JONHBYVQQBWMOU-WOJBJXKFSA-N 404.279 4.967 50 1 HJGF Cc1cccc(-n2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)c1 587499573 VVAIAZSJUWTOEY-QHCPKHFHSA-N 407.901 4.554 50 1 HJGF C[C@@H](C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1 103278948 UMFPLTUONMUDNX-WCBMZHEXSA-N 414.291 4.865 50 1 HJGF O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc21 586909327 YKVUGXGLCCYQEY-UHFFFAOYSA-N 400.234 4.578 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587692184 ATHNKPYLUWERFH-OVWNDWIMSA-N 419.681 4.819 50 1 HJGF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)N(C)[C@@H](C)C2 962633429 TXJVPXGZPOYARQ-FFISXVJXSA-N 418.965 4.599 50 1 HJGF COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccco3)c3ccccc3n2)c(OC)c1 5455124 OZFXSCQWJJTUKH-YSMPRRRNSA-N 415.449 4.666 50 1 HJGF COc1ccccc1S/C(N)=C(\C#N)c1cccc([C@H](O)c2ccc(C#N)cc2)c1 38145330 BVSPJGSDFFYICB-IJDFDPMZSA-N 413.502 4.592 50 1 HJGF COc1ccc([C@@H]2[C@@H](C)C(=O)C[C@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1 299858064 PYGXSBPWUVWILT-NVMYHKGLSA-N 406.309 4.807 50 1 HJGF Cc1ccccc1[C@@]1(CCCCCCl)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963507022 HIKAEVFLRHKZSP-WMZHIEFXSA-N 401.934 4.651 50 1 HJGF N#C/C(=C/c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 587188245 QGCGGEIFNVMPBY-POHAHGRESA-N 404.065 4.547 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)cc2F)N1 587726355 WRDXBOKCPLJKFJ-XYZCENFISA-N 404.657 4.883 50 1 HJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](C=C[C@H](Br)CC)O1 2356422984 ZKQZHWSHCZDGAY-QTVXIADOSA-N 410.577 4.824 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)O2 587373927 ULLPQYZDFBOOMX-QFIPXVFZSA-N 400.906 4.661 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)c1ccccc1)[C@@H](C2)C3=O 587415306 QWHUENFULLPIOE-HRAATJIYSA-N 401.300 4.554 50 1 HJGF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356756973 HYXUDBBVUZEPTI-YWEVQRLQSA-N 411.380 4.903 50 1 HJGF C[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2 64645710 FNLHLKPQZWPTTK-HFZDXXHNSA-N 417.489 4.678 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCC(=O)N3)CC2=O 587458733 FJVXTUUJSPHYPE-QHCPKHFHSA-N 413.901 4.719 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(F)c2)N1 587724490 IMLJLVXYKNBPBI-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF CC(C)(Br)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498985 KWIFLQFPCNZXJW-QGZVFWFLSA-N 416.153 4.838 50 1 HJGF O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12 587888290 KGOHVEUGTOSOEG-UHFFFAOYSA-N 409.272 4.824 50 1 HJGF COC(=O)c1ccc(Oc2ccc3nc(CCCCBr)[nH]c3c2)cc1 586972095 GGOYEDZLWZXROZ-UHFFFAOYSA-N 403.276 4.859 50 1 HJGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@]2(O)OO1 2356736134 UKQVHATZFXVPJW-UQAQOTMJSA-N 402.531 4.877 50 1 HJGF CSc1nc(N2CCCCCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 13589906 AICHLWXNBJBLBC-KRWDZBQOSA-N 401.967 4.909 50 1 HJGF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262228 GLXWHOSDCHKLKV-IEBDPFPHSA-N 413.368 4.881 50 1 HJGF Cc1ccc(/C=C(/C#N)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 587188402 RLVFENIZXFZGLO-WDZFZDKYSA-N 418.092 4.856 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(Br)cc1F)O2 587383225 ZMJHMMBHYLPIKJ-SFHVURJKSA-N 412.686 4.968 50 1 HJGF Cc1ccc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84617696 SXXAMVHDVZZODY-MYYYXRDXSA-N 414.534 4.787 50 1 HJGF COc1ccc(CCC[C@H]2CO[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]2[C@]53OO4)cc1 103195913 YNPXNHUHFVZDSX-NDFGTJCGSA-N 402.531 4.880 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3nccc(Cl)c13)CC2=O 587458461 CBSWKHBSCRNPHG-FQEVSTJZSA-N 405.281 4.974 50 1 HJGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496731 DYQHJSHVLWMXBA-MYYSRTQBSA-N 411.929 4.862 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587334252 LUWRCSNLHBKDBE-UGKGYDQZSA-N 414.791 4.690 50 1 HJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)CC2=O 587461971 MENGABDHFBVNQG-WOOPDLCSSA-N 410.901 4.828 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1ccc(O)c(Cl)c1Cl 963065059 IRYNZOAJIATEIS-HXUWFJFHSA-N 423.727 4.884 50 1 HJGF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C#N)=CO2 587333533 GOOZFHSRGLZOSR-ZCYQVOJMSA-N 413.404 4.894 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCCl)c2)N1 587685305 PMWAIBTZVILHOQ-WYRIXSBYSA-N 412.730 4.873 50 1 HJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1 49766600 HYVKWQHADLGSOD-UHFFFAOYSA-N 417.465 4.578 50 1 HJGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H](Cl)C(=O)O)cc1)O2 27425783 DRPXSXYLTJAZSG-WMZHIEFXSA-N 418.917 4.715 50 1 HJGF COc1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2SC#N)cc1 43011760 FRYFNYWRPMQMAV-UHFFFAOYSA-N 419.491 4.772 50 1 HJGF N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Br)cc2)O1 49112390 PBQRRRNLLBVHCJ-OTWHNJEPSA-N 404.329 4.771 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(F)(F)C(F)(F)F)CC2=O 587460174 HBFJQXBDNFPUBA-ZDUSSCGKSA-N 417.168 4.641 50 1 HJGF CCOC(=O)/C(C#N)=C(/Nc1ccc(C(F)(F)F)cc1)N[C@@H](C)c1ccccc1 35795000 KAHJBIATAPTMAA-HLAUDOPJSA-N 403.404 4.766 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)CC2=O 587460085 RJWQGYZNUMOXRS-WHEQGISXSA-N 401.890 4.791 50 1 HJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726582 XZGHMLKCVCJREJ-MGNBDDOMSA-N 416.693 4.753 50 1 HJGF COc1ccc(N(C)c2ccnc(Cl)n2)cc1OCCCCCBr 1857763598 BPABFNCXTJHEIZ-UHFFFAOYSA-N 414.731 4.851 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O 587411663 FXPLDZJAOZRICA-AVRDEDQJSA-N 415.327 4.932 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2C[C@H]1Br 587460136 RSORQMYRVAZLOR-CTNGQTDRSA-N 417.299 4.534 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1 587690182 ZZZDYLYRIQHTEV-BFKGZMGPSA-N 422.729 4.870 50 1 HJGF O=C(CNc1ccc(Oc2ccccc2)cc1)N/N=C/c1c(Cl)cncc1Cl 34893205 JZLYNSGGRWGJTI-KIBLKLHPSA-N 415.280 4.743 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(Br)cc1C)[C@@H](C2)C3=O 587412999 LKUYLCKOHRDACS-MGPUTAFESA-N 421.718 4.956 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1F 587567599 HRSOADGAFXSMBQ-RXVVDRJESA-N 402.780 4.766 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCO3)N1 587682840 DWQAYJZGGOXIJB-JEOXALJRSA-N 410.714 4.540 50 1 HJGF CC1=NN(c2ccccc2Cl)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009759 VZGYBNUVGMPAAN-VQIMIIECSA-N 417.321 4.886 50 1 HJGF CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c1CBr 82155738 XMAHDQXSOOBXRY-SECBINFHSA-N 404.098 4.931 50 1 HJGF Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CCl)c1cccc(F)c1 95573920 SEDBNKCHMQYWTR-QFIPXVFZSA-N 416.924 4.896 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1c(F)cccc1F)O2 587382685 TXEFHLSSXSPHRR-MJGOQNOKSA-N 410.258 4.586 50 1 HJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3([C@H](Cl)CCCCC[C@H]3Cl)N12 962637081 KHLFISXHUITAMH-DBXWQHBBSA-N 421.368 4.708 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)[C@@H](C2)C3=O 587417891 QGPQMAYEMBEXHN-FDDCHVKYSA-N 413.901 4.562 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2[nH]c(O)cc2c1 587547363 ZPUHFVZTEBPGTE-NZQKXSOJSA-N 421.836 4.675 50 1 HJGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccccc3)c12 1772622640 NXAZYXMDISRZJP-LGJNPRDNSA-N 423.398 4.512 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)O2 587372185 JXDFPHQOWRNAAP-PEBXRYMYSA-N 400.906 4.660 50 1 HJGF O=C1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)cc2N1 587504147 GBKFAQPIUOLDPA-HSZRJFAPSA-N 413.876 4.689 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 38152972 KVHGGKMBZYNYJO-IBXUVSFISA-N 400.515 4.788 50 1 HJGF COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587371414 DMKXNCZXGRKFAB-WLRWDXFRSA-N 424.722 4.883 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)CC2=O 587460565 UJWRIDVGSPXYOX-VERVWZFWSA-N 403.906 4.980 50 1 HJGF COc1cccc2cc3c(nc12)[C@H](c1c(F)cccc1CBr)NCC3 963060278 SDMNNMJXSAFHDQ-FQEVSTJZSA-N 401.279 4.513 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@H]1Br 587460057 RCVJEPQSFMVGHC-PZJWPPBQSA-N 401.300 4.915 50 1 HJGF CC1=C(C=O)C(C)(C)[C@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@@]3(C)OC2(C)C)CC1 2356326630 YVVBWHWZYRDAJE-KPSKLQJESA-N 420.590 4.908 50 1 HJGF O=C(NCCCl)NCCCN1c2ccccc2Sc2cc3ccccc3nc21 96905899 AYGICOKFLVCYGW-UHFFFAOYSA-N 412.946 4.766 50 1 HJGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl 1772593068 DWULQSDMBKVAME-ZMOGYAJESA-N 415.280 4.529 50 1 HJGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2CC)C1=O 1857774250 DZJMOSQBZNHXEF-HNNXBMFYSA-N 400.519 4.876 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1C[C@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356459671 VORHAOSDGGICSS-MRIDXKINSA-N 420.546 4.513 50 1 HJGF CC(C)c1csc(-c2nnc(Sc3nnc(CCl)o3)n2-c2ccccc2)n1 103183690 VOOHZYBMZVQFMM-UHFFFAOYSA-N 418.935 4.787 50 1 HJGF CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\C=O)CC[C@@H]2O[C@]21C 169362406 ZCZKJKIOPWIFME-CQBSUZPWSA-N 416.558 4.611 50 1 HJGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@@H](O)[C@@]45C 2356287835 QGLGJVXUKKCOIZ-NHXGEITRSA-N 400.559 4.652 50 1 HJGF COc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542372 GVZYWNMLXDSVOC-OFNKIYASSA-N 410.853 4.887 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1F 587567597 HRSOADGAFXSMBQ-GHTZIAJQSA-N 402.780 4.766 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2F)N1 587731279 YTINSYICZYAFST-ZMZPIMSZSA-N 409.299 4.719 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1 587538060 MWCDZPCZGWJIJD-GHTZIAJQSA-N 411.251 4.644 50 1 HJGF C[C@H](Cl)C[C@H](Cl)[C@@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023945 JCZLPKRNKATTIH-YJHYTUISSA-N 403.353 4.608 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1)O2 587380124 AXCQBRXEXWVHTP-KRWDZBQOSA-N 414.221 4.852 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(=O)CC)cc1)CC2=O 587461163 PZJHQRGZNKPMRR-QFIPXVFZSA-N 401.890 4.793 50 1 HJGF COc1ccc([C@]2(C(F)(F)F)NC(=O)C(C#N)=C(c3ccc(C)cc3)C2(F)F)cc1 1772646583 DTRXAMPOOYLGGS-IBGZPJMESA-N 422.353 4.504 50 1 HJGF COc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1 73336562 FAOHROBJSWOSPK-QBRFHGNMSA-N 415.497 4.945 50 1 HJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587723777 CEIUMDJXXRPFMN-XTZNXHDOSA-N 416.693 4.753 50 1 HJGF O=C(N/N=C/c1c(-c2cc3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 1772582777 ITCOKRXMORCEHH-CVKSISIWSA-N 407.429 4.705 50 1 HJGF CC(=O)c1csc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587846044 GJIWNDVXXHFUGB-XLFHBGCDSA-N 416.743 4.869 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=CC(=O)O[C@@H]1O)CC[C@@H]1C(C)=CCCC1(C)C 2356581475 XJKDZNIKFFJKMU-GPXNEJASSA-N 416.558 4.554 50 1 HJGF O=C(CCl)Nc1ccc2c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)[nH]c2c1 13801564 IRBFMKXALXRYAJ-UHFFFAOYSA-N 420.852 4.870 50 1 HJGF C[C@@H](Cl)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29248799 FEWLKRBEOUIQGZ-SSDOTTSWSA-N 401.797 4.968 50 1 HJGF Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587674314 VYNUDNPZZJFJNL-XXFAHNHDSA-N 417.116 4.662 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1Cc3ccccc31)CC2=O 587457382 XVVBQNUROUXMDE-UTKZUKDTSA-N 401.300 4.784 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)CC2=O 587458498 JXLCXLQXERWSON-MCMMXHMISA-N 401.890 4.791 50 1 HJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O 587541681 CYBFQAGNAOEGRH-AUSIDOKSSA-N 410.853 4.811 50 1 HJGF C[C@@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609912 AUKPOJOMEKIUJT-RXVVDRJESA-N 414.866 4.752 50 1 HJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccc(C)cc1 17511182 QTFLOPFQHBSKCJ-XXBRTLJISA-N 412.511 4.557 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCO3)N1 587682841 DWQAYJZGGOXIJB-NSPYISDASA-N 410.714 4.540 50 1 HJGF C[C@H](Br)[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499490 NOFBMEJJWYHNRR-FTJFQDGESA-N 416.153 4.836 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCC2)N1 587673182 LCMVSBXRGAXOAZ-MGPLVRAMSA-N 405.149 4.903 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)COC3)N1 587685027 NMRINCLRNFBLOB-WYRIXSBYSA-N 410.714 4.635 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2F)N1 587725875 SIWIGXDEUZUHPR-XYZCENFISA-N 404.657 4.883 50 1 HJGF COc1ccc2c(c1OC)[C@H](c1cccc(F)c1CBr)N(C)[C@@H](C)C2 962628136 OHHVXSLSONQPRR-BUXKBTBVSA-N 408.311 4.704 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 962946222 KUMSIXZNQYWUMC-FATZIPQQSA-N 411.908 4.598 50 1 HJGF CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@H](C(C)=O)C(C)=N2)cc1 150338637 QQBVXSBGZATFAW-FCHUYYIVSA-N 406.507 4.957 50 1 HJGF aggregator CO[C@@]1(C(Br)Br)O[C@H](C(C)=CCl)CC(Cl)=C1C 2356805413 VIDQQDMZLUDVNZ-GXSJLCMTSA-N 408.945 4.889 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)CC2=O 587460563 UJWRIDVGSPXYOX-AMXDTQDGSA-N 403.906 4.980 50 1 HJGF COc1cccc2cc3c(nc12)[C@@](CBr)(c1ccc2occc2c1)NCC3 963064938 HSRVDSHHZUSBFC-JOCHJYFZSA-N 423.310 4.774 50 1 HJGF N#CC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587551735 JDAGLDNGRYSCJB-NFBKMPQASA-N 417.804 4.703 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2F)N1 587725816 GJRKYVIUVSORMI-ADLMAVQZSA-N 400.694 4.938 50 1 HJGF CO[C@@]1(CCCC#CC=CCCCCCCCC(C)=O)CC[C@@H](CC(=O)O)OO1 2356462380 PBMTYMCJWHLVHH-JTHBVZDNSA-N 408.535 4.964 50 1 HJGF FC(F)(F)Oc1cc(Br)cc2nc(CCCCBr)[nH]c12 586972342 MVWGAQAHOUXINZ-UHFFFAOYSA-N 416.035 4.942 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc([N+](=O)[O-])c1)CC2=O 587456090 KNDBQFDDTGECGH-IBGZPJMESA-N 420.259 4.509 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@@]1(C)CBr 962938892 AFQYZGUDQNQOJO-STXSVXLESA-N 415.375 4.688 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1csc4ccccc14)[C@@H](C2)C3=O 587454514 XXNXVGWFZQXYLR-XOBRGWDASA-N 415.308 4.948 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)O2 587371921 IAQXLQNTHAFYDK-JOCHJYFZSA-N 400.906 4.661 50 1 HJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688275 KPDVXNJSEUHFNS-SDDDUWNISA-N 420.750 4.534 50 1 HJGF Cc1ccc([C@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841458 AYOOIMRQPKWKLG-YJYMSZOUSA-N 405.336 4.889 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)c2c(c1)COCO2 587549410 ZWHOMWDANQLZSJ-XXBNENTESA-N 424.836 4.700 50 1 HJGF CC(C)[C@]1(OO)C=C[C@@]2(C)[C@H](O)CC[C@](C)(OC(=O)/C=C/c3ccccc3)[C@@H]2C1 238783679 KOEMDAUUEQWERD-HZOBXIKJSA-N 400.515 4.623 50 1 HJGF COC(=O)c1cccc(CC#Cc2cc(Cl)ccc2OC)c1CBr 587898022 CWSFJWBZEZCUTN-UHFFFAOYSA-N 407.691 4.624 50 1 HJGF C[C@@H](Br)C1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499491 NOFBMEJJWYHNRR-GHMZBOCLSA-N 416.153 4.836 50 1 HJGF COc1cc(N[C@H](C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1 82158231 YLKPACAURUVGKE-OAHLLOKOSA-N 424.457 4.521 50 1 HJGF N#C/C(=C(/O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1 101722436 ZGUQIEVCRPVAOV-PYCFMQQDSA-N 420.513 4.564 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CBr)CC2 587537513 GSXSUJRQPNMPEQ-DJMMNXNOSA-N 403.272 4.678 50 1 HJGF C[C@@]1(c2ccc(O)c(CCCl)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716709 VTDPZNQNGBKKKV-HTAPYJJXSA-N 405.966 4.940 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 962946229 KUMSIXZNQYWUMC-LFVRLGFBSA-N 411.908 4.598 50 1 HJGF FC(F)(F)C(F)(F)[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963114116 WODXXQXUBHEAKB-JTQLQIEISA-N 413.011 4.927 50 1 HJGF Cc1ccc(Oc2ccc(C(=O)N(C)CCSSCCN(C)C)cc2)cc1 618009882 MFZUAKZSGUQJJB-UHFFFAOYSA-N 404.601 4.802 50 1 HJGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1Oc1ccccc1 1857642871 UBTJIXGHZUFNLV-DFEHQXHXSA-N 417.425 4.591 50 1 HJGF Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)n1 6684430 XYHCWMNCVWQBCN-DHRITJCHSA-N 415.522 4.631 50 1 HJGF Cc1cc2ncn(CCN(CCBr)Cc3ccc(F)cc3F)c2cc1C 169327040 CRYDYDVERWIMQG-UHFFFAOYSA-N 422.317 4.828 50 1 HJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4c(C(=O)Cl)cccc41)[C@@H](C2)C3=O 587416608 BNWBSJLZTMZYCB-UUOWRZLLSA-N 402.833 4.746 50 1 HJGF COc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)o2)cc1Cl 989452 WXNBHZOHEUAQNX-WYMPLXKRSA-N 412.873 4.755 50 1 HJGF NNC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069191 IALHCXKEMAVLJV-SDXDJHTJSA-N 416.912 4.993 50 1 HJGF Cc1noc(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325320 DMEGMUVCQMSFRS-TZIWHRDSSA-N 401.821 4.629 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc3c(c1)OCCO3)CC2=O 587459189 GSLCLGJXQSLJEX-JOCHJYFZSA-N 402.874 4.606 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)CC2=O 587459785 PQNLUKXUMLQTKH-MCMMXHMISA-N 401.890 4.791 50 1 HJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499546 VGXYADSHESDWDL-PGRDOPGGSA-N 405.922 4.518 50 1 HJGF Nc1c(C(=O)N/N=C/c2ccccc2)oc2nc(-c3ccccc3)cc(C(F)(F)F)c12 1857637129 QQFIXPWXVOSXFQ-KKMKTNMSSA-N 424.382 4.860 50 1 HJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499167 LCVYMDUEDDVPLE-OAQYLSRUSA-N 401.300 4.830 50 1 HJGF O=C(Nc1ccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1)C1CC1 963101763 FEHUDGFNJXNRDX-HXUWFJFHSA-N 409.744 4.970 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2)N1 587674214 UUKOMOTXAFQZCX-PIGZYNQJSA-N 413.128 4.761 50 1 HJGF CCN(C)C(=O)Oc1cccc(CCNC(=O)CCCC[C@@H]2CCSS2)c1 1857747306 AQVRXHXIMMRAKE-GOSISDBHSA-N 410.605 4.510 50 1 HJGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)OCc1ccc([N+](=O)[O-])cc1 27096932 YOFOXJXMKXMTRL-UHFFFAOYSA-N 412.273 4.628 50 1 HJGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)C#CCCBr 253632508 FYRJLEMGPSYPNT-BTOHRNCKSA-N 405.376 4.648 50 1 HJGF COc1cc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1 299858295 DOVRDZYROJGRMV-ZVHZXABRSA-N 417.490 4.744 50 1 HJGF O=C1C[C@@](CBr)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587501836 ZCLJBCKKYGUCQJ-JOCHJYFZSA-N 413.311 4.756 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O[Si](C)(C)C)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 194851768 AWKLHLPFUWBGTA-WSROCUIRSA-N 424.532 4.978 50 1 HJGF O=C(N/N=C/c1cccc(Cl)c1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473154206 FGQKPBHMLASKOP-ZMOGYAJESA-N 418.840 4.527 50 1 HJGF N#C/C(=C\c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 587188251 QGCGGEIFNVMPBY-UXBLZVDNSA-N 404.065 4.547 50 1 HJGF N#CC(C#N)=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587341383 XEAOXLQIWSWBKI-RSXGOPAZSA-N 422.415 4.990 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1Cc3ccccc31)CC2=O 587457383 XVVBQNUROUXMDE-UWJYYQICSA-N 401.300 4.784 50 1 HJGF CCOc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541856 DMZFVXXBVBZUOA-REWPJTCUSA-N 410.853 4.887 50 1 HJGF Cc1ccccc1[C@]1(CCCCCCl)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963507021 HIKAEVFLRHKZSP-CVDCTZTESA-N 401.934 4.651 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2ccccc12 587542129 FSNKNTAMLPHSGN-NZQKXSOJSA-N 405.837 4.969 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@@H](Br)c1ccccc1F)O2 587384846 JONHBYVQQBWMOU-VQTJNVASSA-N 404.279 4.967 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1C(F)(F)F)O2 587382444 PUIGAMTWOJMIGO-KRWDZBQOSA-N 414.221 4.852 50 1 HJGF COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](Br)C2 587499681 ULCFFSUSNKICLP-IRLDBZIGSA-N 413.311 4.754 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 962946233 KUMSIXZNQYWUMC-QKFKETGDSA-N 411.908 4.598 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3nccs3)c1C)O2 587414245 SEOXCAKTZHTPLD-HXUWFJFHSA-N 401.919 4.541 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OC)c1C)([C@@H](C)Cl)CC2=O 587458849 LTFGWCLGQHZMFR-DMZKTXOQSA-N 419.905 4.564 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccsc2)N1 587852380 GALBZBDIMNMUDA-RFAUZJTJSA-N 419.157 4.822 50 1 HJGF C/C(CCC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccc(-n2cccc2)cc1 1772620516 PUKLAOACJXDIKU-PCLIKHOPSA-N 408.889 4.655 50 1 HJGF COC(=O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 111915737 PBLKJTHNVIIGRL-UHFFFAOYSA-N 411.461 4.967 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587413379 NLAOIMYJOULHPX-LAUBAEHRSA-N 401.300 4.856 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)CC2=O 587462448 OUSTUBVZAVNGHV-LKVFMFGUSA-N 410.901 4.828 50 1 HJGF COc1cc2c(cc1NC(=O)CCSSCCN(C)C)oc1ccccc12 618007890 SYJWFTKCWZKONY-UHFFFAOYSA-N 404.557 4.866 50 1 HJGF CCCN(CC)NC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857573385 OMCLYZTYBSTRFQ-CCEZHUSRSA-N 418.585 4.585 50 1 HJGF C[C@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2 64645708 FNLHLKPQZWPTTK-QFQXNSOFSA-N 417.489 4.678 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1 587327561 PYITZVAYJVCORN-NFBKMPQASA-N 422.843 4.901 50 1 HJGF C[Si](C)(C)C#C[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962997833 MGDSQIGEEOOYGI-LJQANCHMSA-N 419.464 4.672 50 1 HJGF C=CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 13836536 XXTBGKDWFYXGDZ-KJCKJCAZSA-N 410.982 4.846 50 1 HJGF in-vitro CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587460704 OWEOSFIBBOOBMN-QFIPXVFZSA-N 419.905 4.566 50 1 HJGF C[Si](C)(C)Oc1ccccc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962650142 YITWMAHDIISFOV-URXFXBBRSA-N 420.585 4.637 50 1 HJGF Cc1cc(C)c([C@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962968462 CKQIWPIJWHXIPV-YWZLYKJASA-N 414.279 4.625 50 1 HJGF CCOC(=O)[C@]1(CCCCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687267 ZMVJRDPXJAGQOP-KPZWWZAWSA-N 420.750 4.680 50 1 HJGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@@H](Cl)CC2=CC[C@H](Br)[C@H]1O2 2356450042 GTAXFXIOLOZIPX-ADKNMJTCSA-N 424.560 4.827 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCC1 587538608 PYBKYWIBEFBANW-YLJYHZDGSA-N 403.272 4.678 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587701549 UYMBFHGHCVFFLA-OVWNDWIMSA-N 419.681 4.819 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415998 ZWTPMYWUYZWIMO-WBUIGNHESA-N 407.691 4.775 50 1 HJGF O=C(N/N=C/c1cccc(OCc2ccccc2C(F)(F)F)c1)c1ccc(O)cc1 653884759 LOCXZTGIDRNOOL-LGJNPRDNSA-N 414.383 4.754 50 1 HJGF CCCNc1c(C(=O)OC(C)C)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13675501 JBUPWXCSOPLLNN-SFHVURJKSA-N 400.910 4.799 50 1 HJGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@@H](Cl)C(=O)O)cc1)O2 27425773 DRPXSXYLTJAZSG-AUSIDOKSSA-N 418.917 4.715 50 1 HJGF CC[C@H](Br)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587498998 LBTSGMMAOJUBCW-GHTZIAJQSA-N 400.316 4.995 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587679247 FRGPDXQHDOXDHZ-GIGQVBGESA-N 421.697 4.613 50 1 HJGF Cc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841451 AYOOIMRQPKWKLG-BFUOFWGJSA-N 405.336 4.889 50 1 HJGF Cc1c(F)ccc2c1[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)NCC2 962297117 IERRNHIPPVPZAW-BEFAXECRSA-N 416.256 4.919 50 1 HJGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)nc2ccccc21 1772651792 KOQGNGRWKBZXFG-WGOQTCKBSA-N 412.880 4.754 50 1 HJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 197281389 VIQVHSNDCMEKHQ-DKNXKHEBSA-N 415.603 4.959 50 1 HJGF COc1cc([C@H]2C(C#N)=COc3c2ccc2[nH]ccc32)cc(Br)c1OC 38559279 AANXHYPCMZAPKU-SFHVURJKSA-N 411.255 4.879 50 1 HJGF O=C(N/N=C/c1ccc(F)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 40393664 RHKCZTSEJRZWMT-QXBNKWALSA-N 410.452 4.702 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccncc23)[C@@H]1c1ccc(F)cc1 587329186 XLXAWWDQIRUKFJ-FYYLOGMGSA-N 422.843 4.901 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccncc23)[C@H]1c1ccc(F)cc1 587329193 XLXAWWDQIRUKFJ-JTHBVZDNSA-N 422.843 4.901 50 1 HJGF O=P(CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1882345 ARXYMFXVRNKEAQ-UHFFFAOYSA-N 416.397 4.972 50 1 HJGF biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/C=N/NC(=O)c1cccnc1 118921371 RHENKYJNTXBGBC-BAQLDVSRSA-N 421.585 4.737 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCCC3)O2 587377021 ZYWVMMXVNCFUMI-OAQYLSRUSA-N 400.316 4.712 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(C(F)(F)C(F)(F)F)CC2=O 587460165 HBFJQXBDNFPUBA-CYBMUJFWSA-N 417.168 4.641 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(F)c1)CC2=O 587465869 IBCDWLKGBQYOMO-IBGZPJMESA-N 411.242 4.879 50 1 HJGF CO[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@H]12)C(C)(C)O 2356645546 VDDDNUHBNZDCIZ-VGRSHYJMSA-N 414.586 4.678 50 1 HJGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1ccccc1 95570264 WUBFEWAYUGZSHA-XMMPIXPASA-N 423.472 4.833 50 3 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1ccc(F)cc1 84587630 PWOPVGGXKCFRAF-QFEZKATASA-N 418.497 4.618 50 1 HJGF N#CC1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337988 SPGVWLXTMKVODP-LADGPHEKSA-N 417.367 4.725 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(N3CCCC3=O)cc1)CC2=O 587462350 YPWJDXNBCIFPQV-HSZRJFAPSA-N 413.901 4.571 50 1 HJGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2CC4)[C@H](Br)C1 587209236 KZTQQUHVFLDFTG-IUODEOHRSA-N 403.320 4.609 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587414915 PQCRWOHXDNNUQN-WBUIGNHESA-N 407.691 4.775 50 1 HJGF CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499547 VGXYADSHESDWDL-XMSQKQJNSA-N 405.922 4.518 50 1 HJGF Cc1cc(C)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962968458 CKQIWPIJWHXIPV-MGPUTAFESA-N 414.279 4.625 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC2)[C@H]1c1ccc(F)cc1 587324401 YTIOPIOJQXSLEU-AZUAARDMSA-N 405.263 4.824 50 1 HJGF N#CC(C#N)=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587341379 XEAOXLQIWSWBKI-AOYPEHQESA-N 422.415 4.990 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)CCl)O2 587372850 NDGANCRWECTBIF-DEOSSOPVSA-N 420.896 4.664 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)O2 587413463 OJONUHKIPBTDPT-NRFANRHFSA-N 415.946 4.849 50 1 HJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499164 LCVYMDUEDDVPLE-NRFANRHFSA-N 401.300 4.830 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)c4ccc(F)cc4C[C@@H]4CCCN43)cc2C[C@H]1C 963094200 BSJFISYPJORYFJ-OECQAKIHSA-N 412.936 4.626 50 1 HJGF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587142187 MWBQYJUJOCVBJN-UHFFFAOYSA-N 417.356 4.674 50 1 HJGF CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419749 ZGZMMSFMQKSCLC-GOYXPVIASA-N 413.901 4.704 50 1 HJGF Cc1cc(Cl)ccc1OC(F)(F)C(=O)N/N=C/c1ccccc1OC(F)(F)F 1857562425 HWTGSBKAKAOBNQ-PGGKNCGUSA-N 422.737 4.669 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)O2 587372187 JXDFPHQOWRNAAP-RCDICMHDSA-N 400.906 4.660 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417798 MHAQGXQBKFABCA-RSXSOOJNSA-N 407.691 4.728 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587684071 KEUDWVJZMGFAGT-OVWNDWIMSA-N 423.713 4.792 50 1 HJGF O=C1c2ccccc2[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H]1Br 962658508 DALTXNOMUQYMLD-PKTZIBPZSA-N 404.307 4.703 50 1 HJGF Cc1cccc(C)c1SSCCNC(=O)/C(Cc1cc(F)cc(F)c1)=N/O 28525757 JAZDFJOTLKXPCW-HAVVHWLPSA-N 410.511 4.511 50 1 HJGF CC(=O)C1=NN(c2ccc(C)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 40776380 VCSYFYCVMVTYIL-XLNRJJMWSA-N 400.463 4.550 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccs2)N1 587848653 OZEWBROMNBAYQN-VFZGTOFNSA-N 419.157 4.822 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 38152961 WTBJPIWSTYGQOQ-ZFCYRSQGSA-N 404.478 4.537 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 587372361 KRMXNJJSFYMVTE-UPVQGACJSA-N 420.896 4.684 50 1 HJGF O=C1C[C@@](CBr)(COc2ccccc2)Oc2c1ccc1c2CCCC1 587499638 NWDCGBOCAMVIIJ-OAQYLSRUSA-N 401.300 4.743 50 1 HJGF O=C(NNCCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccncc1 1857755075 WCVSBIPAEXQMEL-UHFFFAOYSA-N 410.930 4.662 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC2)[C@@H]1c1ccc(F)cc1 587324404 YTIOPIOJQXSLEU-UYAOXDASSA-N 405.263 4.824 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CCBr)N1 587672812 IDOWDVYXRHAACQ-XAGWURHQSA-N 405.149 4.903 50 1 HJGF Cc1ccc(C(=O)Cl)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587877613 QBCCJHIFBBGDSC-UHFFFAOYSA-N 408.712 4.700 50 1 HJGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Oc1ccc([N+](=O)[O-])s1 27637485 VPGXMBRVCLRBNG-UHFFFAOYSA-N 404.275 4.551 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152976 MLDRIXTVGATAQS-KGMQJHTOSA-N 422.949 4.843 50 1 HJGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103194263 HQWUJEWNCHCZRC-OLLYGUJASA-N 419.543 4.625 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](C)Br)CC2=O 587457432 ZJMXYBSVAFIARY-ZSEKCTLFSA-N 419.315 4.997 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)CC2=O 587460080 RJWQGYZNUMOXRS-DMZKTXOQSA-N 401.890 4.791 50 1 HJGF CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)CC2=O 587462445 OUSTUBVZAVNGHV-INJZMFEXSA-N 410.901 4.828 50 1 HJGF O=C(N/N=C/c1ccccn1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642311 BBIYKJBIJKNDQE-LQKURTRISA-N 410.521 4.862 50 1 HJGF O=C(CBr)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497523 CPGTWTYWYQUAIA-HXUWFJFHSA-N 415.283 4.555 50 1 HJGF CCCC[C@@](O)(C(=O)Nc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 5821947 HPXZLDXQNSWURY-RUZDIDTESA-N 417.509 4.607 50 1 HJGF biogenic COc1cc2ncnc(Nc3cccc(N(CCCl)CCCl)c3)c2cc1OC 96910489 RFKIERHEYSONBJ-UHFFFAOYSA-N 421.328 4.675 50 1 HJGF CC(=O)O[C@H]1C=C(C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)C=C[C@@](C)(O)C1 299809645 LMDUSAACXMMYTD-FADBTOOJSA-N 423.619 4.742 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38152977 MLDRIXTVGATAQS-DMPQSKKBSA-N 422.949 4.843 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416612 BOMNCDCJFPVUIK-LBDOCTSOSA-N 413.901 4.560 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCC)cc1)CC2=O 587455326 ABQQGSAHCDUSDU-OAQYLSRUSA-N 419.315 4.999 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1c(F)cc(F)cc1F 963257420 KAAQPSABNRMUOO-KRWDZBQOSA-N 420.656 4.550 50 1 HJGF N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCCl)c1=O 1607840 BFZFTFJHBZDRON-UHFFFAOYSA-N 404.684 4.995 50 1 HJGF C[C@@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C(=O)O)cccc21 963120330 GNTCAPLGVFVBRB-OKLCXMGGSA-N 418.375 4.726 50 1 HJGF CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Br)c1ccccc1 40848803 IVTIOPHNRPIWQB-OAHLLOKOSA-N 420.380 4.896 50 1 HJGF CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@@H]2O[C@]21C 100077337 ZCZKJKIOPWIFME-XWMBFTBISA-N 416.558 4.611 50 1 HJGF biogenic,in-vitro COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCCl)cc1 587644399 ATQPOALCYIPPET-UHFFFAOYSA-N 400.862 4.975 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@H]1[C@@]23OO4 43379977 SPUDBSZURDOOGS-PTNNRYPISA-N 406.906 4.805 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2F)N1 587725817 GJRKYVIUVSORMI-BBATYDOGSA-N 400.694 4.938 50 1 HJGF Cc1nc2sc3ccccc3n2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 653806041 DGWWBYNQRVJQJS-AUEPDCJTSA-N 402.401 4.640 50 1 HJGF Cc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 103228434 VLTKYRNXROGOFJ-UVABGONOSA-N 406.488 4.549 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1F)CC2=O 587465845 HVQBQNJHLWQSTJ-FQEVSTJZSA-N 423.278 4.748 50 1 HJGF CCN(C)C(=O)Oc1cccc(CCNC(=O)CCCC[C@H]2CCSS2)c1 1857747307 AQVRXHXIMMRAKE-SFHVURJKSA-N 410.605 4.510 50 1 HJGF Cc1c(/C=C(\C#N)C(=O)NCC2CCCCC2)c2ccccc2n1CCCN(C)C 40430292 MVQIVJVIRVWSFA-LTGZKZEYSA-N 406.574 4.505 50 1 HJGF C[C@@]12C=C(Cl)C(=O)[C@H]1C1=C(CC2)[C@]2(CCl)C(=CC1=O)C=C[C@H](Cl)[C@H]2Cl 96085377 ZNBLDVJPJJWYKW-QWJXWIJWSA-N 418.147 4.924 50 1 HJGF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1F 587567600 HRSOADGAFXSMBQ-WIYYLYMNSA-N 402.780 4.766 50 1 HJGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](Br)c1ccccc1F)[C@@H](C2)C3=O 587425909 HVPDEFWFDWALMC-ONGXBYRLSA-N 417.274 4.867 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(C(=O)Cl)c1 587882500 CYXWTWPFXKPIBB-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1 96939300 QOXSLPNLXAITJM-KBPBESRZSA-N 418.061 4.640 50 1 HJGF COc1cc(C)c(Cl)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373722 NGCRDADYZPBHLO-LJQANCHMSA-N 424.722 4.803 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccs1 587614424 SLAXZJNSTUXRCS-LPHOPBHVSA-N 417.280 4.706 50 1 HJGF CC[C@@H](C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1 13675561 UDDYZKUDMQCGFA-KUHUBIRLSA-N 412.921 4.941 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4 169371228 SPUDBSZURDOOGS-WFSPRHNWSA-N 406.906 4.805 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587460703 OWEOSFIBBOOBMN-JOCHJYFZSA-N 419.905 4.566 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccsc1 587619732 USBLHNHNHOOPRD-LPHOPBHVSA-N 417.280 4.706 50 1 HJGF CC1(C)O[C@@H]2[C@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879452 JAGSEXUPXYZVOI-UMSGYPCISA-N 412.100 4.653 50 1 HJGF O=NN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 34800061 UERRLLRAXBKLET-UHFFFAOYSA-N 405.245 4.781 50 1 HJGF O=C1C[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587500167 RDCSYNWVESHPRV-HXUWFJFHSA-N 416.271 4.729 50 1 HJGF O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccccc1Br 15974502 UXAVEGZAUVEVFY-UHFFFAOYSA-N 409.283 4.645 50 1 HJGF aggregator COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)cc1OC 299855955 BIGGHXOMZUQVRY-ZVHZXABRSA-N 417.490 4.744 50 1 HJGF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCCl)[C@@H]3CC[C@@H]12 40617417 ZKYICTSKRHTRLQ-FDTBGVKSSA-N 406.010 4.603 50 1 HJGF O=C(N/N=C\c1ccc(Cl)cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53312603 LNYCPQNWDXLUIL-FMCGGJTJSA-N 421.844 4.611 50 1 HJGF O=C(N/N=C\c1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1 33414495 KFBNXYPIDPQZQX-YUMHPJSZSA-N 424.456 4.881 50 1 HJGF CCC(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496559 DXKVVKMFABQAPL-RUZDIDTESA-N 423.940 4.964 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2F)N1 587726694 KLEGQXAJWIHTSQ-VOJFVSQTSA-N 409.299 4.719 50 1 HJGF CC(=O)[C@@]1(OC(=O)[C@H](F)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356340073 GTIGEMPITXNVCC-YYXSXRTQSA-N 424.940 4.924 50 1 HJGF NNC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587113410 JDXDRYJVAYLNOF-UHFFFAOYSA-N 412.371 4.645 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1ccc(F)cc1F)O2 587386667 WACQDYNQMCBMPI-HKUYNNGSSA-N 410.258 4.586 50 1 HJGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2cc1OC 96913703 QYPLOFLFTNKFSU-ZDUSSCGKSA-N 409.873 4.649 50 1 HJGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3([C@@H](Cl)CCCCC[C@@H]3Cl)N12 962637067 KHLFISXHUITAMH-BBTUJRGHSA-N 421.368 4.708 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)CC2=O 587495338 QACSIDXTPDKYAZ-QKVFXAPYSA-N 421.946 4.530 50 1 HJGF C[Si](C)(C)Oc1ccccc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962650138 YITWMAHDIISFOV-QPPBQGQZSA-N 420.585 4.637 50 1 HJGF COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587371415 DMKXNCZXGRKFAB-WYRIXSBYSA-N 424.722 4.883 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)cc(F)cc1F)([C@@H](C)Br)O2 587383087 XGUYPVVMAHDIIV-LZVRBXCZSA-N 414.221 4.639 50 1 HJGF COc1cccc2cc3c(nc12)[C@@H](c1c(F)cccc1CBr)NCC3 963060283 SDMNNMJXSAFHDQ-HXUWFJFHSA-N 401.279 4.513 50 1 HJGF OCCCc1cn(CCCCCCCCCCCCI)nn1 473137215 WTIKILIGBDXIMG-UHFFFAOYSA-N 421.367 4.539 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2)N1 587673890 RFWQYKITKVSHEL-DIFFPNOSSA-N 413.128 4.761 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCCOC)c1C)CC2=O 587460720 OXDAQXMEXGUGPV-QHCPKHFHSA-N 419.949 4.899 50 1 HJGF O=CC1=C(Sc2ccccc2O)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45318394 ACTOFYDEBSWFFO-UHFFFAOYSA-N 424.547 4.539 50 1 HJGF COC(=O)c1ccc(CBr)c(CC#Cc2cc(Cl)ccc2OC)c1 587899093 ZFZXIMSZJPYOKF-UHFFFAOYSA-N 407.691 4.624 50 1 HJGF O=C(CCC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)N/N=C/c1ccc([N+](=O)[O-])o1 653887845 VIWOHGKHKNTHGU-DSOCWKRDSA-N 421.497 4.956 50 1 HJGF CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3O)o2)cc1 40762383 YBZCELGFGBDQIN-ZMOGYAJESA-N 412.873 4.934 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415999 ZWTPMYWUYZWIMO-XAILHKCVSA-N 407.691 4.775 50 1 HJGF CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1 587923791 OTHGYPLKOAPLLV-HYZSBJHASA-N 407.520 4.802 50 1 HJGF COc1cccc2cc3c(nc12)[C@@](CCCCl)(c1ccc(F)c(F)c1)NCC3 963035222 MRJLTDOEEGPZGD-JOCHJYFZSA-N 402.872 4.930 50 1 HJGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@@H](Cl)C(=O)O)cc1)O2 27425778 DRPXSXYLTJAZSG-XXBNENTESA-N 418.917 4.715 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(C(=O)Cl)c1 587881174 OZHRCNDJCLHHDN-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)cc(Cl)c2[nH]1 587009625 NVMJFFIJZOTMOB-INIZCTEOSA-N 421.715 4.990 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O 587416649 BVNJODWCENWDRC-GBXCKJPGSA-N 407.897 4.984 50 1 HJGF Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587671667 AABYNXCVZHVYGM-FVMDXXJSSA-N 417.116 4.662 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587686659 WQEWHUNLVWDJCY-OVWNDWIMSA-N 423.713 4.792 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CCCl)cc1 587884610 OIBPFVXHABOORC-UHFFFAOYSA-N 408.712 4.515 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587686651 WQEWHUNLVWDJCY-APBUJDDRSA-N 423.713 4.792 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCCl)cc2)N1 587686769 XIXFVVOPSJVQAF-BUXKBTBVSA-N 411.746 4.887 50 1 HJGF CC(C)(C)C(=O)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13492721 PTQLKQPZMIUUAS-DHRITJCHSA-N 423.900 4.947 50 1 HJGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1 64573209 XMAYOPPCKPOZGJ-NVPYSNMXSA-N 410.521 4.670 50 1 HJGF NNC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069189 IALHCXKEMAVLJV-OBGWFSINSA-N 416.912 4.993 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CCBr)N1 587674175 UGFRXEYQDUYMCL-NSODJVPESA-N 405.149 4.903 50 1 HJGF CN(C)C(=O)c1ccc2c(c1)[C@](CCCCCCl)(c1ccccc1F)NCC2 962929169 HCMJWSDOQQXQRK-QHCPKHFHSA-N 402.941 4.716 50 1 HJGF COc1cc(CCCOC(=O)CCl)cc2cc(-c3ccc4c(c3)OCO4)oc12 66074374 OAJSFYPWKIYSNN-UHFFFAOYSA-N 402.830 4.552 50 1 HJGF c1ccc([P+](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1 73331270 FAIHOIRTFIQCJT-UHFFFAOYSA-N 408.505 4.996 50 1 HJGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587070496 HKRKHSJIQAFEQN-YRHSSUKESA-N 415.324 4.839 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)O2 587413453 OHVLVOUJLSPMJR-AOMKIAJQSA-N 423.925 4.951 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)CC2=O 587460087 RJWQGYZNUMOXRS-XMHCIUCPSA-N 401.890 4.791 50 1 HJGF COc1ccc2c(c1)C[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498496 OCUSJDFDKYYVGA-IFMALSPDSA-N 413.311 4.754 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCCl)c2)N1 587684931 NBHXBBCSCYNKEK-NSPYISDASA-N 412.730 4.873 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccs2)N1 587848652 OZEWBROMNBAYQN-RFAUZJTJSA-N 419.157 4.822 50 1 HJGF O=CC1=C(SCc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45256731 QCRHOPUZLUTZQN-UHFFFAOYSA-N 422.575 4.974 50 1 HJGF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NCCCCl)cc1 95586182 UEQVBBOKBRZCIM-CQYWEGEGSA-N 415.917 4.641 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)CC2=O 587459786 PQNLUKXUMLQTKH-WHEQGISXSA-N 401.890 4.791 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2ccccc12 587542120 FSNKNTAMLPHSGN-NFBKMPQASA-N 405.837 4.969 50 1 HJGF COc1ccc(Cl)cc1C#Cc1c(Br)csc1C(=O)CCl 587919309 YWVIQMWARUATLI-UHFFFAOYSA-N 404.112 4.994 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)c(Cl)cc2[nH]1 587009899 XAFMRSAHASZWSF-KRWDZBQOSA-N 421.715 4.990 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1 587686323 CKWCVHKAFFHUHK-XCJKDKRRSA-N 422.729 4.870 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O 587459755 PHUWEHLYACUDGS-MCMMXHMISA-N 401.890 4.791 50 1 HJGF CCOCCOC(=O)/C(C#N)=C(\NNc1c(Cl)cc(Cl)cc1Cl)C(C)C 40874717 ZQGSSZAABRZKRQ-QINSGFPZSA-N 420.724 4.577 50 1 HJGF CC(C)(Br)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498984 KWIFLQFPCNZXJW-KRWDZBQOSA-N 416.153 4.838 50 1 HJGF CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499544 VGXYADSHESDWDL-AVRDEDQJSA-N 405.922 4.518 50 1 HJGF CCOC(=O)CC1=NC(C)=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C1=C(\O)OCC 34802409 HKVATCNHKNPLJV-MLSMBGFSSA-N 422.403 4.800 50 1 HJGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3c[nH]c4ccccc34)sc2c1 299867713 YMPFEDFSZBMDFZ-ZMOGYAJESA-N 420.542 4.775 50 1 HJGF C[C@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 194908344 KVHGGKMBZYNYJO-HTIXXVKZSA-N 400.515 4.788 50 1 HJGF COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587505186 LKDLNSYNXFUQLC-NRFANRHFSA-N 419.290 4.969 50 1 HJGF O=C(CCC[C@H]1OO[C@@H]2CCC[C@@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 195178810 VCLJIWZABVPVGH-FSSWDIPSSA-N 420.408 4.934 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417799 MHAQGXQBKFABCA-WBUIGNHESA-N 407.691 4.728 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCCl)cc2)N1 587681762 ANGUJZOIMYHTBI-CWTRNNRKSA-N 411.746 4.887 50 1 HJGF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)CCCCCl 1857569657 XMFDPIBIMQOLAJ-UHFFFAOYSA-N 415.873 4.884 50 1 HJGF CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1 1654944 XJQGAAFLJAOXBC-VGMNTSGFSA-N 419.912 4.763 50 1 HJGF N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248094 CQIOAUMXTKPKHJ-LLVKDONJSA-N 408.190 4.557 50 1 HJGF Cc1noc(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325315 DMEGMUVCQMSFRS-CTNGQTDRSA-N 401.821 4.629 50 1 HJGF CN(c1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1)S(C)(=O)=O 587923822 QLTAUZGUAGAAMQ-AVSIYSEJSA-N 421.547 4.826 50 1 HJGF Cc1ccc[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)c1 95594929 JMQAGOWKJJHZCM-NRFANRHFSA-N 409.494 4.627 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 101269679 SPUDBSZURDOOGS-BXEWMCMYSA-N 406.906 4.805 50 1 HJGF Cc1cccc2c1[C@](CCl)(C1(C)CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852239 BGXORMMMZKZDHJ-OPAMFIHVSA-N 407.938 4.866 50 1 HJGF CN(CCCl)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545582 RRGJRHKTXYJQSJ-NZQKXSOJSA-N 409.869 4.770 50 1 HJGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(Cl)c(F)cc12 587628206 PHHJXHMQCIYESO-UHFFFAOYSA-N 407.626 4.656 50 1 HJGF O=C(NCCCl)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 473134039 BEWYUDMYAZSSQQ-UHFFFAOYSA-N 421.202 4.938 50 1 HJGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2ccc(F)c(Cl)c12 587627528 AREBGUZMPZZZAD-UHFFFAOYSA-N 421.653 4.652 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)Br)(C(F)(F)F)N1 587707574 VXEGSZXNPNUFPK-NQYJQULFSA-N 419.054 4.663 50 1 HJGF CN(C)CCSSCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 618008093 RLZICLQISPHIBG-UHFFFAOYSA-N 411.596 4.575 50 1 HJGF CCOCCOC(=O)/C(C#N)=C(\NNc1cc(Cl)c(Cl)cc1Cl)C(C)C 40880084 HPWJSPJVDVRWOE-WJDWOHSUSA-N 420.724 4.577 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)Br)(C(F)(F)F)N1 587707575 VXEGSZXNPNUFPK-QHMRUWFYSA-N 419.054 4.663 50 1 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1ccc(F)cc1 299815618 PWOPVGGXKCFRAF-UHFFFAOYSA-N 418.497 4.618 50 1 HJGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373721 NGCRDADYZPBHLO-IBGZPJMESA-N 424.722 4.803 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)O2 587374259 VLRZKWGNNKQXJE-JOCHJYFZSA-N 400.906 4.661 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356459672 VORHAOSDGGICSS-UNBXWCMQSA-N 420.546 4.513 50 1 HJGF COc1cc2ncnc(Nc3ccccc3N(CCCl)CCCl)c2cc1OC 96910488 NLCWXEQEOXCVDI-UHFFFAOYSA-N 421.328 4.675 50 1 HJGF COc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587506295 RMBHYXYJOUURFP-NRFANRHFSA-N 419.290 4.969 50 1 HJGF COc1cc2c(cc1OC)[C@](CCl)(c1c[nH]c3ccc(F)cc13)N(C)[C@@H](C)C2 962644481 YDLPXJJTYQOZBT-WHEQGISXSA-N 402.897 4.683 50 1 HJGF C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103194259 HQWUJEWNCHCZRC-DVUQDELSSA-N 419.543 4.625 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)ccc2c1CC(C)(C)O2 103205432 SYQOSSWALBRMCL-UHFFFAOYSA-N 414.933 4.948 50 1 HJGF COc1cc(/C=N/NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1 40405154 TUNUUTMIDCPRLS-WSDLNYQXSA-N 406.467 4.622 50 1 HJGF N#C/C(=C(/O)COC(=O)CSc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 101758791 OIXMPORQBDUEJH-UZYVYHOESA-N 415.474 4.844 50 1 HJGF aggregator Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)cc(F)cc1F)([C@H](C)Br)O2 587383089 XGUYPVVMAHDIIV-YYSFKGJASA-N 414.221 4.639 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CCBr)N1 587674177 UGFRXEYQDUYMCL-SIVJFFJCSA-N 405.149 4.903 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(F)ccc2F)N1 587717353 KXAWFTPCCKUTOY-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF CC(=O)N1CCc2cc([C@@]3([C@@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496444 CZRITQZMWPQFRP-BZQUYTCOSA-N 423.940 4.962 50 1 HJGF CCCNc1c(C(=O)OCCC)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13675477 WDOUIWVVHIIBTH-GOSISDBHSA-N 400.910 4.800 50 1 HJGF CCO[P@](C)(=O)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1 68592404 CLQBXWXPCSGSIW-SANMLTNESA-N 400.351 4.564 50 1 HJGF biogenic COc1ccc([C@@H]2[C@H](C)C(=O)C[C@@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1 169352140 PYGXSBPWUVWILT-MPKWNAGQSA-N 406.309 4.807 50 1 HJGF C[C@@H]1CC[C@H]2[C@@](C)(COC/C=C/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103188925 JPUOTMBFGZNKLZ-YBLBVJQSSA-N 400.515 4.721 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)C(C)C)[C@@H](C2)C3=O 587414084 KGJVQLDDMXLZMJ-NDXORKPFSA-N 401.300 4.758 50 1 HJGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587688357 LSWUAVYBGWXRDN-HXPMCKFVSA-N 412.730 4.927 50 1 HJGF C[C@H](Br)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322829 PCJSOBOCPSIRBF-WLJAHRKQSA-N 405.263 4.822 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C[C@H]2Br 587543215 JZSFHLWMVXRNSX-DXIQSLLYSA-N 423.262 4.569 50 1 HJGF CC1=C(C=O)C(C)(C)[C@H](CC[C@H]2CC[C@@]3(OC2)O[C@@]2(O)CC[C@@]3(C)OC2(C)C)CC1 2356326628 YVVBWHWZYRDAJE-GQXHZXIQSA-N 420.590 4.908 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(N(C)C)cc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42966038 ZBVRYXSAXFAKFW-BZVZVJKASA-N 415.574 4.937 50 1 HJGF N#Cc1c(Cl)nc(SC[C@H]2CO[P@](=O)(Cl)O2)nc1-c1ccccc1 96910375 KYTQSUMDCREUTQ-DJNLSKAYSA-N 402.199 4.523 50 1 HJGF CCCCCOc1ccc([C@@H](CCl)NC(=O)c2c(Cl)c(CC)nn2C)cc1 103170582 HXZNWPXLUFJFAK-QGZVFWFLSA-N 412.361 4.915 50 1 HJGF O=C1C[C@](CCl)(c2ccc(N3CCOC3=O)cc2)Oc2c1ccc1c2CCCC1 587496379 CMYFHJDEIDDDOG-QHCPKHFHSA-N 411.885 4.622 50 1 HJGF N#Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532620 RCJYQFIZSIRIPD-LJQANCHMSA-N 402.313 4.754 50 1 HJGF O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587334242 LUWRCSNLHBKDBE-DENIHFKCSA-N 414.791 4.690 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(CCl)oc2c1 587888247 IIXWMEDYUFRRGO-UHFFFAOYSA-N 407.684 4.584 50 1 HJGF Cc1c(F)ccc2c1[C@@](c1cccc(CBr)c1)(C(F)(F)F)NCC2 962091773 LINKPLFMZRCVPE-KRWDZBQOSA-N 402.229 4.981 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1OC)CC2=O 587466767 MQISTABMIXRYNI-HXUWFJFHSA-N 423.278 4.748 50 1 HJGF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)C[C@H]1OO 2356411505 RCNVBRCNVUOFOJ-ABPIBVIQSA-N 400.515 4.623 50 1 HJGF N#Cc1cccc(-c2ncccc2CNP(=O)(c2ccccc2)c2ccccc2)c1 95594198 NDJUXDNSHSEHEC-UHFFFAOYSA-N 409.429 4.639 50 1 HJGF C[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707572 VXEGSZXNPNUFPK-KEHGIVTQSA-N 419.054 4.663 50 1 HJGF C[C@H](Cl)C[C@H](Cl)[C@]1(c2ccccc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023941 JCZLPKRNKATTIH-OFFWNCNGSA-N 403.353 4.608 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(F)c1OC)CC2=O 587465569 IHUGNRLEAYQVRS-HXUWFJFHSA-N 423.278 4.748 50 1 HJGF N#CC1=C(N)OC2=C(CNc3c2cc(Cl)cc3[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 1772622449 AYZQYLIPKFAJCV-INIZCTEOSA-N 415.236 4.546 50 1 HJGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(-c4ccccc4)c3CC[C@H]12 1911571307 GVMJDLKGZYANBE-LNHOJHAFSA-N 406.489 4.694 50 1 HJGF CCCCC[C@@H](Br)C1=C(Br)/C(=C/Br)OC1=O 33992037 FTQXIFXRZVUMQY-QHRPWQPMSA-N 416.935 4.772 50 1 HJGF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C#N)=CO2 587333530 GOOZFHSRGLZOSR-NOZRDPDXSA-N 413.404 4.894 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C 587498033 LWAFYVKLIYGFNN-ODCWNRFASA-N 423.940 4.962 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(O)cc1 587542049 FJESSIDOJBPXLQ-OFNKIYASSA-N 410.853 4.974 50 1 HJGF N#Cc1c(SCc2ccccc2)nn(-c2ccccc2)c1NCCCN=C=S 103273993 KXIRRNNQYVSBIV-UHFFFAOYSA-N 405.552 4.941 50 1 HJGF Cc1ccc2oc(COc3ccc(S(=O)(=O)/C=C/C#N)cc3C(C)(C)C)nc2c1 147453954 FWFWUXFMUHFBNG-VZUCSPMQSA-N 410.495 4.824 50 1 HJGF CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(NC(=O)/C(C#N)=C/C4CC4)c3)nc12 224007786 XOMYKFBXZRHPCP-CXUHLZMHSA-N 413.481 4.652 50 1 HJGF CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587500237 AITGOFABARNESR-JOCHJYFZSA-N 401.865 4.762 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(F)cc2)N1 587735439 PUHCRQKUZIVEDT-BBATYDOGSA-N 400.694 4.938 50 1 HJGF Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12 73048736 DSUOJNRMWBOZBL-DICXZTSXSA-N 405.461 4.850 50 1 HJGF COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 5581976 HQOMUDZMZFTCPL-AWEZNQCLSA-N 405.885 4.895 50 1 HJGF NCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 137867422 UHVSCUGYUCCEAA-UHFFFAOYSA-N 413.558 4.899 50 1 HJGF O=C(N/N=C/c1ccc(F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 98084422 XYGCTBRLRQKXEC-RPPGKUMJSA-N 402.351 4.747 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1[N+](=O)[O-])CC2=O 587457438 ZMQPJDXDHWYXRB-LJQANCHMSA-N 420.259 4.509 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCCC3)O2 587377019 ZYWVMMXVNCFUMI-NRFANRHFSA-N 400.316 4.712 50 1 HJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cc(-c3ccccc3)cs2)CC1 49766564 JWHHLEZEOPXNFF-UHFFFAOYSA-N 423.494 4.640 50 1 HJGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc(CNC(=O)C(C)(C)C)s1 963009231 KVDPZUFRTZFCBP-FQEVSTJZSA-N 411.036 4.717 50 1 HJGF Cc1nc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587328908 WNZSZCZPDSFGEP-NQIIRXRSSA-N 401.821 4.629 50 1 HJGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C#N)c2cccs2)c1 34098286 HOUYFOBMVPYWLB-QGOAFFKASA-N 417.534 4.668 50 1 HJGF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103206976 FXXCYCLMRYIVGO-NRFANRHFSA-N 411.461 4.658 50 1 HJGF C[C@H]1CC[C@@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 194908327 KVHGGKMBZYNYJO-RAHQZNLUSA-N 400.515 4.788 50 1 HJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688397 MCIPROWZXKGGCB-PBQZTSCYSA-N 420.750 4.534 50 1 HJGF N#CC1=CC2(c3ccccc3Nc3ccccc32)N(/N=C/c2ccc(Cl)cc2)C1=O 1857764619 AIBURQGUQMXJIC-JFLMPSFJSA-N 410.864 4.967 50 1 HJGF CC(=O)O[C@H]1/C=C(/C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 169367893 LMDUSAACXMMYTD-KXERQHESSA-N 423.619 4.742 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1 587538275 OPRIIVACCJVUQL-GHTZIAJQSA-N 411.251 4.990 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CCCl)cc1)CC2=O 587458639 DKNORYSUDBUHLH-QFIPXVFZSA-N 401.890 4.793 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2CC[C@@H]1Br 587493894 HFFZKUPMSDRFBZ-PKOBYXMFSA-N 407.329 4.977 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc([C@H](C)NC(C)=O)cc1)CC2=O 587459353 IDATWZCZDDXVTD-LFVRLGFBSA-N 415.917 4.641 50 1 HJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CSC#N)c1cccc2ccccc12 963632007 DODWJRDMIJOUON-GYCJOSAFSA-N 404.535 4.849 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3cccc(C(=O)O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857602809 DOZSELYENGTWIN-MCMCESJBSA-N 420.527 4.685 50 1 HJGF C=C(CC(=O)O)[C@H](O)CC=C(C)C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr 2356530410 DATQSAPMCPQONA-FMKPAKJESA-N 412.151 4.784 50 1 HJGF C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=CC[C@H](Br)[C@@H]1O2 95913957 GTAXFXIOLOZIPX-CPKPFHQRSA-N 424.560 4.827 50 1 HJGF biogenic,in-vitro O=C(Cl)[C@@H](Br)CC[C@@H](Br)C(=O)c1coc2ccccc12 587280786 YIZGGILDKGEHGS-MNOVXSKESA-N 422.500 4.688 50 1 HJGF CC(C)(C)[Si](C)(C)OCCCCC(=O)Nc1nc(N)nc2ccc3[nH]ccc3c12 211598804 MMMLZSAZPRZJPU-UHFFFAOYSA-N 413.598 4.824 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnc(N3CCCCC3)s1)CC2=O 587493287 DFNUSRPKSIDSBG-NRFANRHFSA-N 420.962 4.891 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)CC2=O 587495339 QACSIDXTPDKYAZ-XUSGNXJCSA-N 421.946 4.530 50 1 HJGF Oc1cc(F)ccc1[C@]1(CBr)c2ccsc2CCN1Cc1ccco1 962699749 AMBLHQLRPRHSIY-LJQANCHMSA-N 422.319 4.883 50 1 HJGF C[C@H]1C(=O)C[C@H]2[C@@H]1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]2C 221738272 LSPPJWFKRJZSCR-PCXUCGPOSA-N 406.642 4.813 50 1 HJGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4c(C(=O)Cl)cccc41)[C@@H](C2)C3=O 587416604 BNWBSJLZTMZYCB-MHECFPHRSA-N 402.833 4.746 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(F)c1 587556968 LFLIBMYNVBPDPA-WIYYLYMNSA-N 402.780 4.766 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2F)N1 587726352 WRDXBOKCPLJKFJ-HUTHGQBESA-N 404.657 4.883 50 1 HJGF Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911576319 LZTAWDVUXJHHJJ-JOCHJYFZSA-N 422.440 4.692 50 1 HJGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(F)c1 147279948 PLYSNOFHTSAANX-UHFFFAOYSA-N 416.408 4.533 50 1 HJGF CC(=O)SCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370459 WYANYHBHYIBDAX-QUCCMNQESA-N 408.878 4.538 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)CCl)O2 587372855 NDGANCRWECTBIF-XMMPIXPASA-N 420.896 4.664 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CCBr)N1 587672810 IDOWDVYXRHAACQ-RSAASHCRSA-N 405.149 4.903 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(F)cc2)N1 587735440 PUHCRQKUZIVEDT-VOJFVSQTSA-N 400.694 4.938 50 1 HJGF CCCNc1c(C(=O)OCC2CC2)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13675581 XZENHENQIZXPLF-LJQANCHMSA-N 412.921 4.800 50 1 HJGF CCCNc1nc(SC)nc2c1cnn2C[C@@H](Br)c1ccccc1 40380142 OAFUIGWGPWVFHB-CQSZACIVSA-N 406.353 4.506 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)CCCl)CC2=O 587458813 FTDRODKIXLOKBY-QFIPXVFZSA-N 401.890 4.793 50 1 HJGF Cc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848507 WTBMHHXSFIJSOH-DJJJIMSYSA-N 405.336 4.889 50 1 HJGF Cc1cc2c(cc1F)[C@](CBr)(c1cccc(C(F)(F)F)c1)NCC2 962293865 AONORNHNTRZKCS-KRWDZBQOSA-N 402.229 4.937 50 1 HJGF O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc2c3c(cccc3c1)C(=O)OC2=O 95584161 OGNXRVSYALJOTB-BQYQJAHWSA-N 411.335 4.821 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc([N+](=O)[O-])c1)CC2=O 587456091 KNDBQFDDTGECGH-LJQANCHMSA-N 420.259 4.509 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2 587372359 KRMXNJJSFYMVTE-LADGPHEKSA-N 420.896 4.684 50 1 HJGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751713 MOJXFTBKLVMDIX-AFUMVMLFSA-N 402.837 4.877 50 1 HJGF COc1ccc2c(c1OC)[C@](CSC#N)(c1c[nH]c3ccccc13)N(C)[C@H](C)C2 962638118 OTSWKHAVXOWQFC-CMJOXMDJSA-N 407.539 4.519 50 1 HJGF COC(=O)[C@H](CCCCCC(Cl)Cl)[C@H](CCCC#C/C=C/Cl)NC(C)=O 85918765 GRLUPGAXRLOURI-KPJVXMDVSA-N 424.796 4.961 50 1 HJGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2)N[C@H]3c2ccccc2)cc1 299847321 BYSOUFCDHNRSRF-QORCZRPOSA-N 424.548 4.857 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1ccc(O)c(Cl)c1Cl 963065058 IRYNZOAJIATEIS-FQEVSTJZSA-N 423.727 4.884 50 1 HJGF O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587334250 LUWRCSNLHBKDBE-SIKLNZKXSA-N 414.791 4.690 50 1 HJGF N#CSC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569283 PUMLRUZYOICELL-KNQAVFIVSA-N 407.422 4.603 50 1 HJGF COc1ccc2c(c1OC)[C@H](c1cccc(F)c1CBr)N(C)[C@H](C)C2 962628133 OHHVXSLSONQPRR-BLVKFPJESA-N 408.311 4.704 50 1 HJGF CC(=CBr)[C@H](Cl)C[C@H](Cl)[C@](C)(Cl)[C@@H](O)CBr 2356861722 UMMKJQWCXYYLGI-KATARQTJSA-N 417.396 4.643 50 1 HJGF CCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br 586970355 DSSHBTJLSRVZSP-CYBMUJFWSA-N 420.145 4.975 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(C)C)cc1)O2 587375109 QYYOHVDBRVDXLT-HXUWFJFHSA-N 404.304 4.620 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C(F)(F)F)c1)O2 587382939 UPQXZUSAZUELQQ-KRWDZBQOSA-N 414.221 4.852 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(Br)cc1C)[C@@H](C2)C3=O 587413003 LKUYLCKOHRDACS-YWZLYKJASA-N 421.718 4.956 50 1 HJGF C=C(C(Cl)=CBr)[C@H](Cl)C[C@@H](O)[C@@](C)(Br)CCl 2356657530 JLMLCMSOCWJUQU-QNSHHTMESA-N 415.380 4.769 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(F)cc(F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43380067 KMYPNDNHYLZTGA-LRLIURABSA-N 422.468 4.676 50 1 HJGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)CCBr)ccc3CC[C@@H]12 473127474 WNDXVHQPOUIFQN-UIFIKXQLSA-N 423.347 4.560 50 1 HJGF CO[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]12)C(C)(C)O 2356645545 VDDDNUHBNZDCIZ-VAVLMSJISA-N 414.586 4.678 50 1 HJGF O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1 102427736 XMAYOPPCKPOZGJ-NEWJYFPISA-N 410.521 4.670 50 1 HJGF CC#C[C@@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@]1(CI)N=[N+]=[N-] 299815453 GFTMITPUFPQSRQ-HLLBOEOZSA-N 423.254 4.520 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C(F)(F)F)c1)O2 587382940 UPQXZUSAZUELQQ-QGZVFWFLSA-N 414.221 4.852 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc([C@@H](C)NC(C)=O)cc1)CC2=O 587459351 IDATWZCZDDXVTD-FATZIPQQSA-N 415.917 4.641 50 1 HJGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1CC)C(=O)[C@H](C)Cl 40956342 BTAFNIBINZJHCI-DLBZAZTESA-N 401.938 4.531 50 1 HJGF O=C(N/N=C/c1ccccc1Cl)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751680 ATKSTRUXTBTIJD-AFUMVMLFSA-N 402.837 4.877 50 1 HJGF Cc1cc(C)c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962968361 CKQIWPIJWHXIPV-FOIQADDNSA-N 414.279 4.625 50 1 HJGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccc(C)cc1 17511184 QTFLOPFQHBSKCJ-QWODIWHTSA-N 412.511 4.557 50 1 HJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1N=C=S 587893014 JXAPGOBSENPRPQ-UHFFFAOYSA-N 407.297 4.886 50 1 HJGF C#CC=C[C@H](Cl)[C@H](OC(C)=O)[C@@H]1CC=C(Cl)C[C@@H](Br)[C@H](CC)O1 2356550744 YJTPAUDBSKEZCC-XAJHFOFHSA-N 424.162 4.559 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)COC3)N1 587682920 FBLQHPRTFZRHCZ-NSPYISDASA-N 410.714 4.635 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1 587327562 PYITZVAYJVCORN-NZQKXSOJSA-N 422.843 4.901 50 1 HJGF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NNC(=O)c1ccncc1 96940223 NKEOYYBCORKYHG-REBWPMHBSA-N 417.594 4.851 50 1 HJGF COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419687 HTAILIPSXQPPFH-KXBFYZLASA-N 405.397 4.571 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@H]1Br 587461766 YYDDQBAQROVKAT-TZIWHRDSSA-N 417.299 4.534 50 1 HJGF O=C(O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497417 CHQWOHMKVGJASJ-NRFANRHFSA-N 415.283 4.519 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1F)CC2=O 587465846 HVQBQNJHLWQSTJ-HXUWFJFHSA-N 423.278 4.748 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(CCl)nc2c1 587886849 REBWSYQCBNOHDM-UHFFFAOYSA-N 407.684 4.584 50 1 HJGF CO[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@@H]12)C(C)(C)O 2356645547 VDDDNUHBNZDCIZ-XULAKMMMSA-N 414.586 4.678 50 1 HJGF OC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOCC1 586912866 HCPROTHFDZJCFB-UHFFFAOYSA-N 423.201 4.981 50 1 HJGF COc1cc2c3c(c1)O[C@](CCCCl)(c1c[nH]c4ccc(C#N)cc14)[C@@H](C2)C3=O 587421416 LUGWKDSJTKQSDT-SBUREZEXSA-N 406.869 4.710 50 1 HJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1 587649448 JTAASGGEPJLZDH-UHFFFAOYSA-N 416.699 4.879 50 1 HJGF Oc1ccc([C@@]2(CBr)NCCc3cccc(-c4ccccc4)c32)c(O)c1 962668754 QUTACPNQXYSJJQ-JOCHJYFZSA-N 410.311 4.549 50 1 HJGF CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@@H]2O[C@]21C 169362405 ZCZKJKIOPWIFME-OISGQWTESA-N 416.558 4.611 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(F)ccc1F 587554339 CZARVUHVSJXEEI-RXVVDRJESA-N 402.780 4.766 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(F)ccc2F)N1 587721002 VABCOXUZUIHEEU-XYZCENFISA-N 404.657 4.883 50 1 HJGF COc1ccc(Cl)cc1C#Cc1ccc(C=NNC(=O)OC(C)(C)C)c(F)c1 587916591 OPWWXHIVISXDPC-UHFFFAOYSA-N 402.853 4.746 50 1 HJGF O=C1c2ccccc2[C@@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H]1Br 962658511 DALTXNOMUQYMLD-XZOQPEGZSA-N 404.307 4.703 50 1 HJGF CCN(c1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)cc1)S(C)(=O)=O 8209792 HBDRBULNYVSJRC-UHFFFAOYSA-N 401.557 4.837 50 1 HJGF C[C@](Br)(CCl)[C@@H](Cl)C[C@@H](Br)[C@](C)(Cl)[C@@H]1CO1 238757006 FBCHAKMLRMZMEL-MBGOZMDMSA-N 417.396 4.536 50 1 HJGF O=C(N/N=C/c1cccc(F)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 98084212 DQYCVJUSSQDPRT-RPPGKUMJSA-N 402.351 4.747 50 1 HJGF COc1ccc2nc(C)cc(SCC(=O)N/N=C\c3cccc4ccccc34)c2c1 8670430 KMTOIKNAQOBOII-QFEZKATASA-N 415.518 4.947 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2[nH]c(O)cc2c1 587547365 ZPUHFVZTEBPGTE-REWPJTCUSA-N 421.836 4.675 50 1 HJGF CC(C)=CC(=O)O[C@@H]1C=C[C@@](C)(C/C=C/C(C)(C)O)CC=C(C=O)CC[C@@H]2O[C@]21C 299812479 ZCZKJKIOPWIFME-MOZNOFHLSA-N 416.558 4.611 50 1 HJGF CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@]1(C2)Cc2cc(CC)c([C@H](C)O)cc2C1 6003237 LOHWDPFXGRHSDR-YOYPSMQSSA-N 415.533 4.656 50 1 HJGF O=C1C[C@](CBr)(COc2ccccc2)Oc2c1ccc1c2CCCC1 587499635 NWDCGBOCAMVIIJ-NRFANRHFSA-N 401.300 4.743 50 1 HJGF CCc1ccc(N2C=C(C(=O)OC)[C@@H](c3cccc4ccccc34)C(C#N)=C2N)cc1 95568927 MITRTOSJDPCAMC-DEOSSOPVSA-N 409.489 4.757 50 3 HJGF CCCNc1c(C(=O)OC(C)C)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13675499 JBUPWXCSOPLLNN-GOSISDBHSA-N 400.910 4.799 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)CC2=O 587458500 JXLCXLQXERWSON-XMHCIUCPSA-N 401.890 4.791 50 1 HJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587688276 KPDVXNJSEUHFNS-VOZBZGINSA-N 420.750 4.534 50 1 HJGF O=C(NNc1ncnc2sc3c(c12)CCCC3)Nc1cccc(C(F)(F)F)c1 1857765981 CAPDLOOAWACRFO-UHFFFAOYSA-N 407.421 4.738 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](C)Br)[C@@H](C2)C3=O 587415996 ZWTPMYWUYZWIMO-PYFOHURJSA-N 407.691 4.775 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CBr)CC2)N1 587673806 QEHRRVDADRKOFV-VHTNMKBUSA-N 405.149 4.903 50 1 HJGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587687724 HLJKHVJXJKAPQE-BLVKFPJESA-N 412.730 4.927 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Sc3ccc(C(=O)O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857610625 RWKXIANSIAIQNT-MZKANNJLSA-N 420.527 4.685 50 1 HJGF C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 195292188 SPUDBSZURDOOGS-KPQNAPJDSA-N 406.906 4.805 50 1 HJGF Cc1ccc2c(c1)C[C@@H](C)[C@]1(C)C[C@@H]([C@@]3(C)CC[C@H]([C@@H](C)C(=O)O)OO3)O[C@]21C 238742484 UVCKBOWBHIIDNL-ZHDTVZGOSA-N 402.531 4.788 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2F)N1 587725199 CDLMCERRWVHJJW-ZMZPIMSZSA-N 400.694 4.938 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2CCBr 587539866 YFAXKNWHGYGJCQ-VOWSPCBNSA-N 403.272 4.678 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2[nH]c(O)cc2c1 587547364 ZPUHFVZTEBPGTE-OFNKIYASSA-N 421.836 4.675 50 1 HJGF CC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610134 BFCBQYPMGYUKRT-NQIIRXRSSA-N 414.866 4.752 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(=S)Cl)cc1 587897252 YGYJNENHHDXUKD-UHFFFAOYSA-N 412.725 4.606 50 1 HJGF CC(=CBr)[C@H](Cl)C[C@H](Cl)[C@@](C)(Cl)[C@H](O)CBr 2356861724 UMMKJQWCXYYLGI-UTINFBMNSA-N 417.396 4.643 50 1 HJGF C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC(=C2C3CC4CC(C3)CC2C4)OO1 43552777 USSHIUPQEMGBTO-JEBKYAQXSA-N 424.946 4.519 50 1 HJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cccc(Br)c1 58583060 TUAPBESJHWUTEU-LJQANCHMSA-N 417.266 4.673 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169340610 KVHGGKMBZYNYJO-UOTNEYRLSA-N 400.515 4.788 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587416615 BOMNCDCJFPVUIK-PUMRXTBWSA-N 413.901 4.560 50 1 HJGF COc1cc2c3c(c1)O[C@](CCCBr)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428685 OAMIUJKJPOXCBS-OXJNMPFZSA-N 405.263 4.652 50 1 HJGF COc1ccc2nc(NC(=O)NN=C(c3ccccc3)c3ccccc3)sc2c1 28823239 MLRRXGABLFQQIO-UHFFFAOYSA-N 402.479 4.879 50 1 HJGF O=C(c1coc2ccccc12)[C@@H](Br)CC[C@@H](Br)C(=O)Cl 587280788 YIZGGILDKGEHGS-WDEREUQCSA-N 422.500 4.688 50 1 HJGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415433 SCFMRWTXUJCJTG-PLMTUMEDSA-N 417.299 4.520 50 1 HJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1cccc(Cl)c1 29037313 PUQFTTDJQNUDQI-UHFFFAOYSA-N 421.324 4.904 50 1 HJGF CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 34800071 GBANDHWBCXOTHA-UHFFFAOYSA-N 419.272 4.805 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587414118 SKGKRDMDLHKTBZ-AVRDEDQJSA-N 409.279 4.886 50 1 HJGF CCc1ccc(N2C=C(C(=O)OC)[C@H](c3cccc4ccccc34)C(C#N)=C2N)cc1 95568926 MITRTOSJDPCAMC-XMMPIXPASA-N 409.489 4.757 50 3 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2F)N1 587725197 CDLMCERRWVHJJW-BBATYDOGSA-N 400.694 4.938 50 1 HJGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)c(F)c2)cc1 1857775205 OPZAFOUEHNKJKP-LGJNPRDNSA-N 419.416 4.610 50 1 HJGF COc1ccc(C(=NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 2356311016 BOMJZTKTGKPHJI-UHFFFAOYSA-N 409.283 4.640 50 1 HJGF C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 238780413 FIJWKNVOCSKASL-IARVOVHOSA-N 416.558 4.554 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccncc23)[C@@H]1c1ccc(F)cc1 587329189 XLXAWWDQIRUKFJ-GGAORHGYSA-N 422.843 4.901 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cccc1F)CC2=O 587467929 VLQUKWKBOLJHTI-LJQANCHMSA-N 411.242 4.879 50 1 HJGF C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543830 LTVQBTWUFXVXDQ-CUKRAGERSA-N 420.852 4.753 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCC2)N1 587673941 RVFQIFBJNSYJJH-HWPZZCPQSA-N 405.149 4.903 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)cc2F)N1 587725873 SIWIGXDEUZUHPR-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF O=C(N/N=C/c1ccc(F)cc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857770295 GSLOOLCXVXRQFI-RPPGKUMJSA-N 407.380 4.741 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610132 BFCBQYPMGYUKRT-GHTZIAJQSA-N 414.866 4.752 50 1 HJGF C[C@@H](Cl)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884321 IVGORVKMZAANAR-CYBMUJFWSA-N 408.712 4.514 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](C)Br)CC2=O 587457429 ZJMXYBSVAFIARY-ASSNKEHSSA-N 419.315 4.997 50 1 HJGF CC1=NN(c2cccc(Cl)c2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009766 KZVZKDRFTHKMJB-QFBILLFUSA-N 417.321 4.886 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(COc1ccccc1)CC2=O 587455990 IILVAPCQGAPRMT-FQEVSTJZSA-N 405.288 4.523 50 1 HJGF CC(=O)c1csc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587846125 GQDUNVVKWGXSKX-VVVCHXIZSA-N 416.743 4.869 50 1 HJGF Cc1c(O)[nH]c2ccc([C@@]3(CCl)c4cccc(Br)c4CCN3C)cc12 963289059 IPKQGIDCSKFNKJ-FQEVSTJZSA-N 419.750 4.915 50 1 HJGF Cc1cccc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)C 103207455 FOCTYJIQTHYNFM-UHFFFAOYSA-N 408.329 4.721 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)Br)CC2=O 587449519 BBXBSAYDUDOUOJ-INIZCTEOSA-N 420.141 4.617 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)Br)CC2=O 587449525 BBXBSAYDUDOUOJ-MRXNPFEDSA-N 420.141 4.617 50 1 HJGF C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543831 LTVQBTWUFXVXDQ-DOYUUMQYSA-N 420.852 4.753 50 1 HJGF N#C/C(=C\c1cccc2cnccc12)c1cn(C(=O)C2CCNCC2)c2ccccc12 1857594076 KEYNQULVSIWVSI-KGENOOAVSA-N 406.489 4.893 50 1 HJGF CC#C[C@@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-] 5808665 GFTMITPUFPQSRQ-VYDXJSESSA-N 423.254 4.520 50 1 HJGF O=C(N/N=C/c1cccnc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642313 MGTLSKGVIXZVNB-LQKURTRISA-N 410.521 4.862 50 1 HJGF COC(=O)C(=O)[C@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587359260 XBPKMELXQNHDSC-GOSISDBHSA-N 409.825 4.679 50 1 HJGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376394 XKQUEPIJIGUXHZ-ICSRJNTNSA-N 404.304 4.620 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O 587412394 BRARXWWQGFAOLI-IFXJQAMLSA-N 407.691 4.695 50 1 HJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587537457 FPEDDGVTKMNNEX-PXNSSMCTSA-N 415.239 4.546 50 1 HJGF C[Si](C)(C)Oc1ccccc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962650148 YITWMAHDIISFOV-ZJSXRUAMSA-N 420.585 4.637 50 1 HJGF O=C(O)c1ccc2cccc(SSc3cccc4ccc(C(=O)O)nc34)c2n1 1772635163 UNSRDXBQNWZDMA-UHFFFAOYSA-N 408.460 4.979 50 1 HJGF Br[C@@H](Cn1ncc2c(NC3CCCCC3)ncnc21)c1ccccc1 28570750 NMFGININXYDXJB-KRWDZBQOSA-N 400.324 4.707 50 1 HJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1 962901673 KKLGRDQQXGSNMI-GUYCJALGSA-N 423.098 4.779 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2F)N1 587725373 CVWSBYVUBIRIBW-PWJLMRLQSA-N 422.100 4.792 50 1 HJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)c1N=C=O 587880631 VHLQYFAXRHNIBH-UHFFFAOYSA-N 407.684 4.633 50 1 HJGF CN(C)CCSSCCNC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 621476350 FAOJLWBQBNKFRP-UHFFFAOYSA-N 417.025 4.528 50 1 HJGF Oc1ccc2c(c1)[C@@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)NCC2 963329222 LWZQTNPQJYHOEQ-HSZRJFAPSA-N 406.323 4.748 50 1 HJGF CC(C)=CCC/C(C)=C/CO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299865387 NPMPDIFJBRATPN-VSZJJUDBSA-N 413.326 4.919 50 1 HJGF CN(C)CCSSCCCC(=O)Nc1nc(-c2c(F)cccc2F)cs1 618012352 BTODSYNUDJIQFB-UHFFFAOYSA-N 417.572 4.750 50 1 HJGF CCOc1ccc(NC(=O)/C(C#N)=C(\NC23CC4CC(CC(C4)C2)C3)SC)cc1 1857772998 CVOYKDNEUXQKJR-LSDHQDQOSA-N 411.571 4.680 50 1 HJGF CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1Cl 587328140 IVDATBQCBATACP-BAYUQKDNSA-N 404.865 4.824 50 1 HJGF O=C1C[C@@](CBr)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587499446 NEKHHQRRURYMKZ-OAQYLSRUSA-N 415.283 4.550 50 1 HJGF COc1ccc(/C=C/[C@@]23C=C[C@@]4(OO2)C(C)(C)CCC[C@]4(C)O3)c(OC)c1OC 299820467 CLJFDRRDFKCGCH-IMCIWVJZSA-N 402.487 4.678 50 1 HJGF COc1cc(C)c(Cl)cc1[C@]1(CBr)NCCc2cc(C)c(F)cc21 962377408 RINOENPCHCIUFS-LJQANCHMSA-N 412.730 4.889 50 1 HJGF Cc1cc([C@@]2(CCl)c3nn(C)cc3CCN2C)c(C)n1-c1cccc(C(C)C)c1 963955347 PGNISIJNMZJOSK-DEOSSOPVSA-N 410.993 4.921 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc4ccccc14)[C@@H](C2)C3=O 587413270 MGECCFDLSMRTPT-AVRDEDQJSA-N 409.279 4.886 50 1 HJGF C[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707573 VXEGSZXNPNUFPK-LTMDPNIMSA-N 419.054 4.663 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)[C@@H](C2)C3=O 587416765 DYMBBYYZNZTJDA-SBUREZEXSA-N 413.901 4.562 50 1 HJGF CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(C=O)=C\C1 1772620210 IBABIWZUONNRBB-QYGPLFBNSA-N 414.542 4.579 50 1 HJGF C=C(C)[C@H](Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)OO 86000137 JSZZQWZCXGLNKJ-KRWDZBQOSA-N 410.422 4.518 50 1 HJGF in-vitro C[C@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169323023 KVHGGKMBZYNYJO-GPQBFNEXSA-N 400.515 4.788 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CBr 587874536 AQWQGHFQGPPKBG-UHFFFAOYSA-N 411.126 4.599 50 1 HJGF C[Si](C)(C)C#C[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962997805 MGDSQIGEEOOYGI-IBGZPJMESA-N 419.464 4.672 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Cl)[C@@](C)(Br)[C@H](O)CBr 2356807909 YGXQYGUCIHKQLS-UTINFBMNSA-N 417.396 4.643 50 1 HJGF C[C@@H]1CC[C@H]2[C@@](C)(COC/C=C/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103188927 JPUOTMBFGZNKLZ-UGOTYSGDSA-N 400.515 4.721 50 1 HJGF COc1ccc(F)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587504073 MFOUVDVDRMXSJB-NRFANRHFSA-N 419.290 4.969 50 1 HJGF COc1cc2c(cc1C(=O)Oc1ccccc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857763979 OKXYTWGTTMGOJK-BKMJKUGQSA-N 415.489 4.793 50 1 HJGF CC(C)(F)[C@H](Br)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587086729 HNGAIEOGQODNCX-QGZVFWFLSA-N 401.235 4.522 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(CCl)c2O)N1 587725014 BADRMJVEFVRMFQ-NIVTXAMTSA-N 416.693 4.969 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(F)c2)N1 587726166 VMDWJPUEBGHLCU-HUTHGQBESA-N 404.657 4.883 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@@H](Br)c1ccccc1F)O2 587384843 JONHBYVQQBWMOU-PMACEKPBSA-N 404.279 4.967 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)CC2=O 587461968 MENGABDHFBVNQG-SYKNXGGPSA-N 410.901 4.828 50 1 HJGF CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533568 XEYLTOKMJZCFQP-XMHCIUCPSA-N 417.958 4.751 50 1 HJGF COCCCN1CCc2ccc(OC)cc2[C@]1(CCl)c1c[nH]c2ccc(F)cc12 961318418 HBOHUJDKDRRBOD-HSZRJFAPSA-N 416.924 4.693 50 1 HJGF C[C@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356773308 WMPMZFMYRMBUAX-VMRCMBGLSA-N 407.649 4.505 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCO3)CC2=O 587456512 PVIYGAZRTQKVHH-NRFANRHFSA-N 417.299 4.535 50 1 HJGF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497646 JOCCYTAYEHOOPY-CVDCTZTESA-N 419.949 4.908 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCC1 587538607 PYBKYWIBEFBANW-XLIONFOSSA-N 403.272 4.678 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 962952644 VLJOGKUUMGKXRP-JLTOFOAXSA-N 414.303 4.639 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccccc3F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106642 NNHNDIFFGKADCR-RCNXKZRESA-N 420.521 4.983 50 1 HJGF C=CCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323777 UFMZKELGIIFTTR-ICSRJNTNSA-N 405.263 4.990 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CCCl)cc1)CC2=O 587458638 DKNORYSUDBUHLH-JOCHJYFZSA-N 401.890 4.793 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)s1 587897387 AKSSDMQUKIAWKR-UHFFFAOYSA-N 417.155 4.660 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@@]1(C)CBr 962938890 AFQYZGUDQNQOJO-IWXRKQPZSA-N 415.375 4.688 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43871941 NUSHWYGPTNGTTO-KGMQJHTOSA-N 422.949 4.843 50 1 HJGF O=C(O)Cc1c(SSc2[nH]c3ccccc3c2CC(=O)O)[nH]c2ccccc12 13832591 WYVCKDYGPDDNFV-UHFFFAOYSA-N 412.492 4.703 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587325024 BNXSIORUPRCFHR-NFBKMPQASA-N 422.843 4.901 50 1 HJGF Oc1cccc([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)c1 962708942 PZAQQTMULKOOBV-LJQANCHMSA-N 404.329 4.744 50 1 HJGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CNC21CCC(Br)CC1 962952567 HYOVTFKJPJNYPB-UHFFFAOYSA-N 418.297 4.890 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3ccc(C(=O)O)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 136084054 RWKXIANSIAIQNT-MCMCESJBSA-N 420.527 4.685 50 1 HJGF N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@@]12Cc1ccc(C#N)cc1 38268453 TZCXQSNBTXDAJG-JOCHJYFZSA-N 408.288 4.760 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)c2c(c1)COCO2 587549406 ZWHOMWDANQLZSJ-CVDCTZTESA-N 424.836 4.700 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2F)N1 587730795 YGGMPRVVBNEDDL-VPTHRUTESA-N 422.100 4.792 50 1 HJGF C[Si](C)(C)Oc1ccccc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962650145 YITWMAHDIISFOV-XUZZJYLKSA-N 420.585 4.637 50 1 HJGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1CC)C(=O)[C@H](C)Cl 40956339 BTAFNIBINZJHCI-IRXDYDNUSA-N 401.938 4.531 50 1 HJGF COc1ccc(-c2nc3cc(/C(C)=N/NC(N)=O)ccc3n2C2CCCCC2)cc1 84708213 UXNWYOLYUZPCJK-CVKSISIWSA-N 405.502 4.609 50 1 HJGF C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857535377 HBIZMZQMZDYMKC-QGZVFWFLSA-N 422.375 4.984 50 1 HJGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/C=N/NC(=O)c1ccco1 118921373 GFWVMFRCFHSXAA-XEKPURHUSA-N 410.558 4.935 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587411623 FPEJNYYBZRMEDM-BTYIYWSLSA-N 412.283 4.523 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(F)ccc2F)N1 587721000 VABCOXUZUIHEEU-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF CC(C)=CC(=O)O[C@@H]1C=C[C@](C)(CC=CC(C)(C)O)CC=C(C=O)CC[C@H]2O[C@@]12C 2356461252 ZCZKJKIOPWIFME-YENTXNKWSA-N 416.558 4.611 50 1 HJGF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587260653 XYHGVDVNHPIECV-LBPRGKRZSA-N 406.380 4.562 50 1 HJGF O=C(CCl)c1c[nH]c([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963832608 QTZQBFMNDZQSAW-XMMPIXPASA-N 419.912 4.732 50 1 HJGF CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1 1654946 XJQGAAFLJAOXBC-YRYLYKBFSA-N 419.912 4.763 50 1 HJGF O=C(N/N=C\[C@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 13154870 GXIXHYZWZPAUCO-QZNHCPNFSA-N 412.114 4.752 50 1 HJGF CCCNc1nc(SC)nc2c1cnn2C[C@H](Br)c1ccccc1 40380141 OAFUIGWGPWVFHB-AWEZNQCLSA-N 406.353 4.506 50 1 HJGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1 40685158 BJMUBALPANLULR-KQZLZWQFSA-N 406.507 4.636 50 1 HJGF C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568853 ODTGPOPSSPNBCJ-BQUVFFCOSA-N 404.393 4.620 50 1 HJGF CC1(C)[C@@H](Br)CC[C@]23CO[C@H](c4cc(Br)ccc4O2)[C@@H]13 14966255 LYIIVRIXAFFJOS-KNCOVGOOSA-N 402.126 4.851 50 1 HJGF O=P(Cc1ccccc1OCCOCCCl)(c1ccccc1)c1ccccc1 68592665 GFYLIZDSWORDHS-UHFFFAOYSA-N 414.869 4.835 50 1 HJGF biogenic COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CCl)cc41)[C@@H](C2)C3=O 587422715 RNMZKHDIHZOZBF-NBGIEHNGSA-N 416.860 4.670 50 1 HJGF COc1ccc2c(c1)C[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498510 OCUSJDFDKYYVGA-UNMCSNQZSA-N 413.311 4.754 50 1 HJGF COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](Br)C2=O)cc1C 587912166 BYIQANNEKNGIRX-SFHVURJKSA-N 418.718 4.557 50 1 HJGF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)o1 586931133 LZIVQIGFHJLCCI-UHFFFAOYSA-N 417.381 4.731 50 1 HJGF CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(O)c1c2cnn1Cc1ccccc1 26574738 QMNHDADVWLRHKK-OAHLLOKOSA-N 413.905 4.868 50 1 HJGF CC1(C)O[C@@H]2[C@@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879441 JAGSEXUPXYZVOI-FDYHWXHSSA-N 412.100 4.653 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587846127 GQDUNVVKWGXSKX-XYZCENFISA-N 416.743 4.869 50 1 HJGF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/CBr)[nH]c4c3)o2)cc1 586974743 YVLKFRFPNSPRMT-NSCUHMNNSA-N 411.259 4.697 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 587327351 PJSOFLNPFXDDMD-LADGPHEKSA-N 424.855 4.959 50 1 HJGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419750 ZGZMMSFMQKSCLC-PIPLOTLNSA-N 413.901 4.704 50 1 HJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497644 JOCCYTAYEHOOPY-AUSIDOKSSA-N 419.949 4.908 50 1 HJGF O=C1C[C@](CBr)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587499738 OOINFNNWISJZBH-FQEVSTJZSA-N 416.271 4.729 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)CCl)c2)N1 587849280 SACZZHJTSQEDEO-XLFHBGCDSA-N 416.743 4.869 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 962952651 VLJOGKUUMGKXRP-VLIAUNLRSA-N 414.303 4.639 50 1 HJGF COc1ccc2onc(/C(C#N)=C/c3ccc(OCCN4CCCCC4)cc3)c2c1 40554492 QVLGLHDQWPJKAB-XDJHFCHBSA-N 403.482 4.765 50 1 HJGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372971 OMAKWKPRAJMJMW-RCDICMHDSA-N 400.906 4.804 50 1 HJGF CN(CCCl)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587545586 RRGJRHKTXYJQSJ-REWPJTCUSA-N 409.869 4.770 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@]3(CCCCCl)c1ccc(C#N)cc1 963050867 DHHPSXGTNWIRND-XMMPIXPASA-N 405.929 4.913 50 1 HJGF CC1=NN(c2ccccc2Cl)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009761 VZGYBNUVGMPAAN-QFBILLFUSA-N 417.321 4.886 50 1 HJGF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCBr)C2 473153903 CTOSZAUWENPXGH-OAHLLOKOSA-N 411.299 4.746 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)c1ccccc1)[C@@H](C2)C3=O 587415308 QWHUENFULLPIOE-KKSFZXQISA-N 401.300 4.554 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O 587416665 BWTABWRRMDSZHI-WMZHIEFXSA-N 411.885 4.637 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(C)=O)cc1F)CC2=O 587465806 HPZYWOXQEZKWDM-NRFANRHFSA-N 405.853 4.542 50 1 HJGF CCOC(=O)c1c(C#Cc2cc(Cl)ccc2OC)cccc1CBr 587899079 ZABOLIRJTGEPLT-UHFFFAOYSA-N 407.691 4.820 50 1 HJGF CO[C@]1(CCCC#CC=CCCCCCCCC(C)=O)CC[C@H](CC(=O)O)OO1 2356462378 PBMTYMCJWHLVHH-GGAORHGYSA-N 408.535 4.964 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587684070 KEUDWVJZMGFAGT-GIGQVBGESA-N 423.713 4.792 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(F)ccc2F)N1 587717346 KXAWFTPCCKUTOY-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)O2 587371531 GIQYOCKQLXXKJM-AMXDTQDGSA-N 412.873 4.770 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)O2 587374341 WWZKGBPMMMTWHP-QFIPXVFZSA-N 400.906 4.661 50 1 HJGF O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 103220969 MNLBXAXCJWVDLS-QQTULTPQSA-N 424.287 4.674 50 1 HJGF COc1ccc(OC)c(/C=N/NC(=O)Nc2nc3c(ccc4ccccc43)s2)c1 40899917 ITHPAFFBPAKGOP-WSDLNYQXSA-N 406.467 4.622 50 1 HJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586974397 WBWXBSCTKMEMSJ-AWEZNQCLSA-N 402.336 4.550 50 1 HJGF O=C1C[C@](CBr)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1 587497379 CFGIPCHQEGFBSQ-NRFANRHFSA-N 411.299 4.697 50 1 HJGF COc1ccc(F)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587504075 MFOUVDVDRMXSJB-OAQYLSRUSA-N 419.290 4.969 50 1 HJGF Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc4oc(-c5ccccc5)cc(=O)c4c(O)c32)cc1 1911576320 LZTAWDVUXJHHJJ-QFIPXVFZSA-N 422.440 4.692 50 1 HJGF COc1ccc([C@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587371412 DMKXNCZXGRKFAB-JEOXALJRSA-N 424.722 4.883 50 1 HJGF CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541249 ABGCRYIHCVYLTR-OFNKIYASSA-N 411.885 4.926 50 1 HJGF COc1cc(OO)cc2c1C(=O)C[C@@H](c1ccccc1OC(=O)Nc1ccccc1)O2 98085462 PCPKFCJVHGQESY-IBGZPJMESA-N 421.405 4.864 50 1 HJGF O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2ccc(F)c(Cl)c12 587628503 UJXSDPKVIIZVBO-UHFFFAOYSA-N 407.626 4.656 50 1 HJGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1ccc(F)cc1 962375272 RYSXLNMDNDGOQH-HXUWFJFHSA-N 419.363 4.923 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@H](Br)c1ccccc1F)O2 587384845 JONHBYVQQBWMOU-UXHICEINSA-N 404.279 4.967 50 1 HJGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587643649 ICURMKBAOASBDO-UHFFFAOYSA-N 408.639 4.683 50 1 HJGF N#C/C(=C(\c1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1 1772592188 AYHUFFFAHBVFBW-RQZHXJHFSA-N 410.517 4.880 50 1 HJGF C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1 49877371 RGUWFVOQMZJHAO-GASCZTMLSA-N 423.340 4.627 50 1 HJGF COc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587506301 RMBHYXYJOUURFP-OAQYLSRUSA-N 419.290 4.969 50 1 HJGF CN(c1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1)S(C)(=O)=O 587923825 QLTAUZGUAGAAMQ-IGHDPAQPSA-N 421.547 4.826 50 1 HJGF Oc1ccc(Cl)c(Nc2ncnc3c2cnn3C[C@H](Cl)c2ccccc2)c1 1857655256 VVZUXGYMJIQUBC-INIZCTEOSA-N 400.269 4.909 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Cl)[C@@](C)(Br)[C@@H](O)CBr 2356807910 YGXQYGUCIHKQLS-XFWSIPNHSA-N 417.396 4.643 50 1 HJGF O=C(OCc1ccc([N+](=O)[O-])cc1)Oc1ccc(N(CCCl)CCCl)cc1 27095067 OHWFCBZNDWRDGU-UHFFFAOYSA-N 413.257 4.594 50 1 HJGF CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br 71316906 QVRLSFHLDJYRSS-UHFFFAOYSA-N 424.545 4.612 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCCl)c2)N1 587684934 NBHXBBCSCYNKEK-WLRWDXFRSA-N 412.730 4.873 50 1 HJGF C=C(C(Cl)=CBr)[C@H](Cl)C[C@H](O)[C@](C)(Br)CCl 2356657528 JLMLCMSOCWJUQU-FKTZTGRPSA-N 415.380 4.769 50 1 HJGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587070485 HKRKHSJIQAFEQN-FOFINAFOSA-N 415.324 4.839 50 1 HJGF Cc1sc2c(c1C)CCN[C@H]2[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)C[C@@H]21 963025766 PBPYFETZYGYIAT-OIGVQNGMSA-N 421.679 4.894 50 1 HJGF Cc1ccc(C2OOC(c3ccc(C(=O)NCCc4ccccc4)cc3)OO2)cc1 72175019 ATPWTWUWKYIZAX-UHFFFAOYSA-N 405.450 4.575 50 1 HJGF COc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1 147213036 JGIRHVNUTKPOFI-UHFFFAOYSA-N 412.445 4.697 50 1 HJGF C=C1C[C@H](OC(C)=O)[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C(C=O)=CC[C@H]1[C@@H]2OC(C)=O 197683577 CGDIUXZRULKLSB-YQJAZGSGSA-N 402.531 4.570 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(/C=C/C=O)c2F)N1 587725369 CVAGHLVAYGBBJS-HVERVZLVSA-N 406.270 4.737 50 1 HJGF CCOC(=O)/C(C#N)=C(/Nc1ccc(Br)cc1)N[C@H](C)c1ccccc1 34661337 UVAJSUFUVXKJBM-IWHJNQCMSA-N 414.303 4.510 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84671170 SFTKZKNSSVITKD-BRALBGQASA-N 412.567 4.544 50 1 HJGF NNC(=O)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060135 AZJKSSIYMQHQCI-UHFFFAOYSA-N 413.868 4.702 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587325029 BNXSIORUPRCFHR-REWPJTCUSA-N 422.843 4.901 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)Cl)ccc1Cl 587878491 HLSITYBHNMJYOO-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF Cc1cc(/C=C(/C#N)c2nc3c(N)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054456 FWVGQGZSWAWZPS-QPEQYQDCSA-N 424.295 4.714 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCC2)N1 587673184 LCMVSBXRGAXOAZ-QLJPJBMISA-N 405.149 4.903 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(F)cc2)N1 587736637 SUOPMBDZKUYKQG-BBATYDOGSA-N 409.299 4.719 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCCBr)CC2=O 587455619 DYMJOPMWJWXCAP-NRFANRHFSA-N 419.315 4.999 50 1 HJGF CCCc1ccc(C(=O)NNc2c(Br)cccc2Br)cc1 653720259 JYLCFXKRVBPXTI-UHFFFAOYSA-N 412.125 4.921 50 1 HJGF C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 238780423 FIJWKNVOCSKASL-RXHWURAVSA-N 416.558 4.554 50 1 HJGF N#Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325088 BYSVREKKWNSQGK-GGAORHGYSA-N 407.828 4.896 50 1 HJGF CC(C)(F)[C@@H](Br)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587086727 HNGAIEOGQODNCX-KRWDZBQOSA-N 401.235 4.522 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)C(C)C)[C@@H](C2)C3=O 587414076 KGJVQLDDMXLZMJ-DQLDELGASA-N 401.300 4.758 50 1 HJGF CC1=C(c2nc(-c3ccccc3)no2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784001 JLFRZDDIPSHVRE-PFDITEFHSA-N 410.470 4.713 50 1 HJGF [C-]#[N+][C@@]12[C@@H]3O[C@@H]3C(C)(C)c3[nH]c4cccc5c4c3[C@@]1(O)[C@@H](CC[C@@]2(C)C=C)C5(C)C 238739246 RVIIZRJMWFSNER-BDOGLJFWSA-N 402.538 4.966 50 1 HJGF Cc1c(F)ccc2c1[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)NCC2 962297125 IERRNHIPPVPZAW-HNAYVOBHSA-N 416.256 4.919 50 1 HJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 49766598 YNBJZMXFNRSOBR-UHFFFAOYSA-N 417.465 4.578 50 1 HJGF Cc1ccnc2c1CCN[C@@]2(CBr)c1c(F)ccc(Cl)c1Cl 963074913 YVSGLGROGSXPQM-INIZCTEOSA-N 404.110 4.620 50 1 HJGF BrCCCCc1nc2cc(Br)c(Br)cc2[nH]1 586972389 OXUWUCMHEFPJJE-UHFFFAOYSA-N 410.935 4.806 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2F)N1 587725198 CDLMCERRWVHJJW-VOJFVSQTSA-N 400.694 4.938 50 1 HJGF COc1ccc([C@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587846292 QBKBSKBUCGBVIC-BLVKFPJESA-N 421.335 4.589 50 1 HJGF Cc1cc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)on1 963819374 VXRSIUBEZDWSCH-QHCPKHFHSA-N 407.901 4.671 50 1 HJGF C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCN=C=S 27436412 AGJBKBQANMMVEF-WOJBJXKFSA-N 406.599 4.682 50 1 HJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc(F)cc1F 29037345 GKYYGLBLKCGFDB-UHFFFAOYSA-N 422.859 4.529 50 1 HJGF CC(C)(C)OC(=O)N1CCC[C@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497647 JOCCYTAYEHOOPY-WMZHIEFXSA-N 419.949 4.908 50 1 HJGF Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587537458 FPEDDGVTKMNNEX-XLIONFOSSA-N 415.239 4.546 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3 95910453 VORHAOSDGGICSS-XIOQGWQRSA-N 420.546 4.513 50 1 HJGF biogenic,in-vitro O=C(N/N=C/c1ccccc1Cl)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473171724 VKPFVPUTTZLFEZ-ZMOGYAJESA-N 418.840 4.527 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O 587426097 KTBMWLBNOJTSJH-SCLBCKFNSA-N 411.654 4.526 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1 587538276 OPRIIVACCJVUQL-NQIIRXRSSA-N 411.251 4.990 50 1 HJGF Cc1cc(Cl)cc2c(N3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587624051 WZAPJIDZLVWGGK-UHFFFAOYSA-N 403.663 4.825 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O[Si](C)(C)C)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 194851789 AWKLHLPFUWBGTA-IFPOKBMLSA-N 424.532 4.978 50 1 HJGF N#Cc1c(Cl)nc(SC[C@@H]2CO[P@](=O)(Cl)O2)nc1-c1ccccc1 96910374 KYTQSUMDCREUTQ-SDWAUSNYSA-N 402.199 4.523 50 1 HJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2c(c1)CCO2 963231388 QUFIESKGQIWRRT-KSFYIVLOSA-N 400.360 4.917 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCCl)c2)N1 587685304 PMWAIBTZVILHOQ-WLRWDXFRSA-N 412.730 4.873 50 1 HJGF CCC(CC)(C(=O)OC)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497544 CRTHFTMWZYODPT-NRFANRHFSA-N 423.347 4.644 50 1 HJGF CCOC(=O)[C@@]1(CCCCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587683931 IKJLKJFFWQGUSP-XIKOKIGWSA-N 420.750 4.680 50 1 HJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccccc1 98081859 BUDDNBGHVJRDCV-QFIPXVFZSA-N 409.445 4.842 50 1 HJGF Cc1nc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587328906 WNZSZCZPDSFGEP-GHTZIAJQSA-N 401.821 4.629 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCC)cc1)CC2=O 587455324 ABQQGSAHCDUSDU-NRFANRHFSA-N 419.315 4.999 50 1 HJGF O[C@@]12OOC3(C=C1C[C@@H]1CC[C@H]2C1)CCN(c1ccnc2cc(Cl)ccc12)CC3 1857757710 XGUKLUYRKPVOFH-SYJLOODJSA-N 412.917 4.624 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Br)[C@@](C)(Br)[C@H](O)CCl 2356789387 DFPMJUMCRWLQHD-UTINFBMNSA-N 417.396 4.643 50 1 HJGF CCN(CC)Cc1ccc([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)[nH]1 49710980 IATCKDDLZBZZQW-KXZSJBCISA-N 418.578 4.780 50 1 HJGF Clc1c2ncccc2cc2nc(CBr)c(CBr)nc12 73221269 IZESEIBVAZSDQF-UHFFFAOYSA-N 401.489 4.621 50 1 HJGF N#CSC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567441 APDWDYJCXGZUJC-DENIHFKCSA-N 407.422 4.603 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCCl)c2)N1 587685303 PMWAIBTZVILHOQ-NSPYISDASA-N 412.730 4.873 50 1 HJGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)[C@@H](C2)C3=O 587423782 WBXMWSNZQMRBEN-SBUREZEXSA-N 413.901 4.562 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccs2)N1 587849822 WFKRPQQCBYPMNV-BJOHPYRUSA-N 419.157 4.822 50 1 HJGF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)C(Cl)Cl 28218009 AOGJVDXWWWJWME-UHFFFAOYSA-N 417.264 4.914 50 1 HJGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)[C@@H](O)[C@@]45C 2356287833 QGLGJVXUKKCOIZ-FZHNBQNOSA-N 400.559 4.652 50 1 HJGF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@]2(O)C#CCCBr 253632509 FYRJLEMGPSYPNT-VXAPCQRLSA-N 405.376 4.648 50 1 HJGF NS(=O)(=O)Cc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586929880 HRVUIXQSLHODPS-UHFFFAOYSA-N 413.393 4.676 50 1 HJGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496452 CZRITQZMWPQFRP-SGANQWHYSA-N 423.940 4.962 50 1 HJGF N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1COC1 587255709 OFTTZTGVVZMFMK-SECBINFHSA-N 408.190 4.629 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)ccc2c1C[C@H](C)O2 103203913 FWSXXZYOPVMHGY-ZDUSSCGKSA-N 400.906 4.558 50 1 HJGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(N(C)C)cc1 169352106 VKVOJEPEWZNPQR-LNHNDHHWSA-N 419.352 4.865 50 1 HJGF O=C1C[C@](CBr)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 587496400 BNIRHPCSBCWILZ-AWEZNQCLSA-N 413.180 4.862 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(CBr)c(F)c1 963027984 BBEXCQZLEHKFRH-LJQANCHMSA-N 401.279 4.513 50 1 HJGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587070489 HKRKHSJIQAFEQN-IXMVKTJZSA-N 415.324 4.839 50 1 HJGF C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1 49877375 RGUWFVOQMZJHAO-GJZGRUSLSA-N 423.340 4.627 50 1 HJGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587688356 LSWUAVYBGWXRDN-CWTRNNRKSA-N 412.730 4.927 50 1 HJGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)NCCc2cccc(-c3ccccc3)c21 962659330 BTLHLQSVWHGBMQ-IVCQMTBJSA-N 418.924 4.701 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(CCl)ccc21 587374610 IKAUIFNCXXVNHT-XMMPIXPASA-N 403.865 4.769 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2F)N1 587725818 GJRKYVIUVSORMI-VOJFVSQTSA-N 400.694 4.938 50 1 HJGF CC1=C(C=O)C(C)(C)[C@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@@]3(C)OC2(C)C)CC1 2356326632 YVVBWHWZYRDAJE-SZLSCVSRSA-N 420.590 4.908 50 1 HJGF O=C(N/N=C/c1ccncc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642605 YFHFBVQGUZNTKS-LQKURTRISA-N 410.521 4.862 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccsc1 587619731 USBLHNHNHOOPRD-APWZRJJASA-N 417.280 4.706 50 1 HJGF Cc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841455 AYOOIMRQPKWKLG-DJJJIMSYSA-N 405.336 4.889 50 1 HJGF C[C@@]1(c2ccc(CCl)cc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177087 HWXBAUZMWPTTJZ-KSSFIOAISA-N 418.242 4.960 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(Br)cc1F)O2 587383222 ZMJHMMBHYLPIKJ-GOSISDBHSA-N 412.686 4.968 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100863818 KVHGGKMBZYNYJO-HHTONSKBSA-N 400.515 4.788 50 1 HJGF Cc1cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1-c1cccc(F)c1 963125995 VJELYSNVVSVVEB-HSZRJFAPSA-N 412.892 4.560 50 1 HJGF O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1 102427732 XMAYOPPCKPOZGJ-YCAMKHIRSA-N 410.521 4.670 50 1 HJGF Cc1cc(N=C=S)c(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587893360 QKGHIUQRNFEFOD-UHFFFAOYSA-N 407.297 4.886 50 1 HJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccc(Cl)cc1 29037315 JMPSQVWVTAKZDZ-UHFFFAOYSA-N 421.324 4.904 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(F)c1)CC2=O 587467440 SECCISZGGZIDKL-HXUWFJFHSA-N 423.278 4.748 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587679251 FRGPDXQHDOXDHZ-OVWNDWIMSA-N 421.697 4.613 50 1 HJGF Cc1cc(C)c([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962968459 CKQIWPIJWHXIPV-QRWLVFNGSA-N 414.279 4.625 50 1 HJGF COc1cccc([C@@H](C)N(C)CCCNC(=O)CCCC[C@H]2CCSS2)c1 254101197 IEDFSYAYEIZFGF-XLIONFOSSA-N 410.649 4.908 50 1 HJGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473168140 KOINBABFWWELBD-ZMOGYAJESA-N 418.840 4.527 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCO3)CC2=O 587456517 PVIYGAZRTQKVHH-OAQYLSRUSA-N 417.299 4.535 50 1 HJGF CCCc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587410938 AITNUODHXLFGLN-DYESRHJHSA-N 401.300 4.686 50 1 HJGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419752 ZGZMMSFMQKSCLC-USRYEYIWSA-N 413.901 4.704 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCCl)cc2)N1 587681760 ANGUJZOIMYHTBI-BLVKFPJESA-N 411.746 4.887 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)CCl)c2)N1 587847164 JLKIHFPEKLKTMV-XYZCENFISA-N 416.743 4.869 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(COc2ccccc2)[C@H]1c1ccc(F)cc1 587325394 DUNFCDHQYSJPNZ-GMAHTHKFSA-N 412.844 4.947 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCC(=O)N3)CC2=O 587458730 FJVXTUUJSPHYPE-HSZRJFAPSA-N 413.901 4.719 50 1 HJGF O=C1c2ccc(O)cc2OC2(CCC(Br)CC2)[C@@H]1c1ccc(F)cc1 587325350 XRZCZXZKUHOMHA-CCZUIPEJSA-N 405.263 4.967 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1 587724488 IMLJLVXYKNBPBI-HUTHGQBESA-N 404.657 4.883 50 1 HJGF Clc1cc(Cl)c2c(c1)[C@](CBr)(c1ccncc1Cl)NCC2 963126981 YLRDXCKMKPRBDH-HNNXBMFYSA-N 406.538 4.826 50 1 HJGF Cc1cccc(Nc2ccccc2C(=O)NCCSSCCN(C)C)c1C 618007874 LVEQOEZDAFJOMS-UHFFFAOYSA-N 403.617 4.720 50 1 HJGF C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857602533 CRCKPWUFZGCCQT-QGZVFWFLSA-N 422.375 4.984 50 1 HJGF Cc1ccc(/C=C2\CN(C(=O)C(Cl)Cl)C/C(=C\c3ccc(C)cc3)C2=O)cc1 1911572882 ANRNCWWUJFLHKP-AYKLPDECSA-N 414.332 4.985 50 1 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cccc(F)c1 299816888 XTTQPNHKXKNTKH-UHFFFAOYSA-N 418.497 4.618 50 1 HJGF N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1Cl 73157270 OBWOQGULIXXXBG-LFIBNONCSA-N 407.813 4.732 50 1 HJGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)I 103279189 VSHWXNHAYGBHMS-FAFAAHBOSA-N 405.707 4.704 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N(C)C)cc1)CC2=O 587456522 QADYKJAVCSGEDR-NRFANRHFSA-N 418.331 4.666 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C 587498037 LWAFYVKLIYGFNN-SGANQWHYSA-N 423.940 4.962 50 1 HJGF O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]nc(CCl)n12 102840661 JJZSXINLKJPIEH-UHFFFAOYSA-N 422.275 4.692 50 1 HJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587324095 OXTJMPUIANTWMS-BJLQDIEVSA-N 405.263 4.967 50 1 HJGF CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1Cl 587328149 IVDATBQCBATACP-YSNWRPKNSA-N 404.865 4.824 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)ccc1OC)CC2=O 587455793 GEGFXIUBZBFWIB-OAQYLSRUSA-N 419.315 4.917 50 1 HJGF CC1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(C)(C)N1C(=O)CCl 587498847 PVBBOXOOUQJACR-UHFFFAOYSA-N 403.950 4.688 50 1 HJGF BrCCCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 1772655329 TUXMKPFAMUTGHX-UHFFFAOYSA-N 424.302 4.723 50 1 HJGF CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009765 KZVZKDRFTHKMJB-LPHOPBHVSA-N 417.321 4.886 50 1 HJGF O=C(CCBr)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 28714166 RIPXNPZTBKTRRC-UHFFFAOYSA-N 423.673 4.889 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)ccc2O)N1 587689099 PLUXRKCHMJVUMW-VVVCHXIZSA-N 419.121 4.964 50 1 HJGF Cc1cc(C)c(N=C=O)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587876910 QDJAOMLBCAKCAH-UHFFFAOYSA-N 401.293 4.596 50 1 HJGF Brc1ccccc1C1OOC(c2ccccc2Br)OO1 43617242 IJNVAHZRIURETF-UHFFFAOYSA-N 402.038 4.819 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)COC3)N1 587682925 FBLQHPRTFZRHCZ-WYRIXSBYSA-N 410.714 4.635 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Cl)[C@](C)(Br)[C@@H](O)CBr 2356807907 YGXQYGUCIHKQLS-KATARQTJSA-N 417.396 4.643 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1oc3ccccc3c1C)O2 587374741 QCPDYPKBXRBTIJ-FQEVSTJZSA-N 400.272 4.887 50 1 HJGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)cc1C(F)(F)F 587913933 ORUHSMGGSSQLNC-UHFFFAOYSA-N 402.199 4.945 50 1 HJGF Oc1ccc2c(c1)[C@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)NCC2 963329268 LWZQTNPQJYHOEQ-QHCPKHFHSA-N 406.323 4.748 50 1 HJGF O=C(Nc1cccc(-c2cccc(NC(=O)C(Cl)Cl)c2)c1)C(Cl)Cl 95563668 AVKCKVXZCOUUNV-UHFFFAOYSA-N 406.096 4.838 50 1 HJGF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587414917 PQCRWOHXDNNUQN-XAILHKCVSA-N 407.691 4.775 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCCBr)CC2=O 587455620 DYMJOPMWJWXCAP-OAQYLSRUSA-N 419.315 4.999 50 1 HJGF C[C@@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)NCCc2cccc(-c3ccccc3)c21 962659337 BTLHLQSVWHGBMQ-PUAOIOHZSA-N 418.924 4.701 50 1 HJGF COc1ccccc1S/C(N)=C(\C#N)c1cccc([C@@H](O)c2ccc(C#N)cc2)c1 38145331 BVSPJGSDFFYICB-OSSILQDYSA-N 413.502 4.592 50 1 HJGF N#C/C(=C\c1ccccc1OCCCN1CCOCC1)c1noc2ccc(Cl)cc12 40646100 MXCRDLGRLFUECD-NBVRZTHBSA-N 423.900 4.646 50 1 HJGF C[C@@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609911 AUKPOJOMEKIUJT-NQIIRXRSSA-N 414.866 4.752 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610138 BFCBQYPMGYUKRT-WIYYLYMNSA-N 414.866 4.752 50 1 HJGF CC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610136 BFCBQYPMGYUKRT-RXVVDRJESA-N 414.866 4.752 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2F)N1 587726692 KLEGQXAJWIHTSQ-BBATYDOGSA-N 409.299 4.719 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccncc23)[C@H]1c1ccc(F)cc1 587329191 XLXAWWDQIRUKFJ-GMAHTHKFSA-N 422.843 4.901 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(CP(=O)(OCC)OCC)CC2=O 587488858 RVOPKATXKSTMRH-GOSISDBHSA-N 404.827 4.554 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(/C=C\C=O)c2F)N1 587725592 FEIIPRISYJBCKK-KKNUJXSZSA-N 406.270 4.737 50 1 HJGF O=C1[C@H](Cl)[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 96939294 JDQSCBJBVGOGLG-KGLIPLIRSA-N 415.512 4.907 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCO3)N1 587682508 CPEPTFJTAQWQDK-WLRWDXFRSA-N 410.714 4.540 50 1 HJGF Cc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848506 WTBMHHXSFIJSOH-BFUOFWGJSA-N 405.336 4.889 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)ccc1CBr 963044775 CTFJGQVAEVMDCY-HXUWFJFHSA-N 401.279 4.513 50 1 HJGF Cc1ccnc2c1CCN[C@]2(CBr)c1ccc(Oc2ccccc2)cc1 963078858 ZPWFBUHRIJJJBB-JOCHJYFZSA-N 409.327 4.967 50 1 HJGF COc1cc2c(cc1C(=O)Nc1ccccc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857655777 OGWMUIXLJJVSSS-BKMJKUGQSA-N 414.505 4.826 50 1 HJGF CC(C)(C)c1cc(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 1857750858 CIBHTUDVAJNXBX-KTZMUZOWSA-N 407.314 4.774 50 1 HJGF C[C@@]1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C[C@H]1CCO 8020369 JWVBPTAJRFOORT-IEZKXTBUSA-N 405.478 4.655 50 1 HJGF C=C(CC(=O)O)C(=O)CC=C(C)C=C[C@H](Cl)[C@@](C)(Cl)C=CBr 2356512843 GOWQWBXAQSXSLZ-HOCLYGCPSA-N 410.135 4.993 50 1 HJGF COC(=O)[C@@H](CCCCCC(Cl)Cl)[C@@H](CCCC#CC=CCl)NC(C)=O 2356700289 GRLUPGAXRLOURI-DLBZAZTESA-N 424.796 4.961 50 1 HJGF CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419751 ZGZMMSFMQKSCLC-SVMFYKDGSA-N 413.901 4.704 50 1 HJGF Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587537459 FPEDDGVTKMNNEX-YLJYHZDGSA-N 415.239 4.546 50 1 HJGF O=C(Nc1ccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc1)C1CC1 963101725 FEHUDGFNJXNRDX-FQEVSTJZSA-N 409.744 4.970 50 1 HJGF O=C(NN=C(c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2356864137 HKTOCPDLTQFSAQ-UHFFFAOYSA-N 424.254 4.540 50 1 HJGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2cc1OC 96913704 QYPLOFLFTNKFSU-CYBMUJFWSA-N 409.873 4.649 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CBr)(CC2CC2)[C@@H]1c1ccc(F)cc1 587324412 YTTRPAOOSRFAQZ-UYAOXDASSA-N 405.263 4.824 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2cccc(Cl)c2)C(C)(C)C)ccc2c1C[C@H](C)O2 103203129 JICAKSNAMXOQLM-ZDUSSCGKSA-N 400.906 4.558 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](C)Br)[C@@H](C2)C3=O 587415997 ZWTPMYWUYZWIMO-RSXSOOJNSA-N 407.691 4.775 50 1 HJGF CCC(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496569 DXKVVKMFABQAPL-VWLOTQADSA-N 423.940 4.964 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1c(F)cc(F)cc1F 963257421 KAAQPSABNRMUOO-QGZVFWFLSA-N 420.656 4.550 50 1 HJGF COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 1653497 HQOMUDZMZFTCPL-CQSZACIVSA-N 405.885 4.895 50 1 HJGF CC1=C(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 17188542 KESXQHZIRZKRKH-DLFGAIJRSA-N 416.558 4.698 50 1 HJGF O=C(N/N=C\[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1 36076690 GXIXHYZWZPAUCO-COKUHNHWSA-N 412.114 4.752 50 1 HJGF CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372966 OMAKWKPRAJMJMW-FPTDNZKUSA-N 400.906 4.804 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3c(O)coc3cc1OC)CC2=O 587461164 PZMATVKFHVJSNV-JOCHJYFZSA-N 416.857 4.905 50 1 HJGF O=C(Cl)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894780 ZSQOEENLJVOLSK-SOFGYWHQSA-N 424.686 4.622 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cl)c1C(=O)Cl 587877957 WEEFMACDNTYDAO-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF COc1cccc2cc3c(nc12)[C@@](c1ccc(C(=O)Cl)cc1)(C(F)(F)F)NCC3 963059790 UWJZZFQPGHLHQO-FQEVSTJZSA-N 420.818 4.574 50 1 HJGF C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 38629691 FIJWKNVOCSKASL-UIQWFKFJSA-N 416.558 4.554 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2cccc(Cl)c2)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203131 JICAKSNAMXOQLM-CYBMUJFWSA-N 400.906 4.558 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC2)[C@@H]1c1ccc(F)cc1 587324403 YTIOPIOJQXSLEU-QUCCMNQESA-N 405.263 4.824 50 1 HJGF COc1ccc2c(c1OC)[C@@H](CCl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677620 MDFIWTSBQARDNX-OAHLLOKOSA-N 413.823 4.701 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)O2 587413454 OHVLVOUJLSPMJR-KSFYIVLOSA-N 423.925 4.951 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(O)cc1 587542050 FJESSIDOJBPXLQ-REWPJTCUSA-N 410.853 4.974 50 1 HJGF CC1=C(C=O)C(C)(C)[C@H](CC[C@@H]2CC[C@@]3(OC2)O[C@@]2(O)CC[C@@]3(C)OC2(C)C)CC1 2356326627 YVVBWHWZYRDAJE-CZIWMOKQSA-N 420.590 4.908 50 1 HJGF S=C(Nc1ccccc1)N1C[C@@H](CBr)S/C1=N\c1ccccc1 82052470 QGKGHRFCBWKDOL-JXLCAQNNSA-N 406.374 4.883 50 1 HJGF CC1=CS/C(=C(\C#N)c2nnc(NC(=O)c3ccccc3)o2)N1c1ccccc1 102921514 SIXOSYDWZVVESA-LVZFUZTISA-N 401.451 4.629 50 1 HJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Br)[C@H]1c1ccc(F)cc1 587324097 OXTJMPUIANTWMS-HBFSDRIKSA-N 405.263 4.967 50 1 HJGF N#CC(C#N)=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587341375 XEAOXLQIWSWBKI-AHWVRZQESA-N 422.415 4.990 50 1 HJGF O=C1CCCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587498832 PDRSZFCZRJSETC-XMMPIXPASA-N 409.913 4.940 50 1 HJGF O=C1CSc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 587537623 JFBYVMBCAPRNQG-JOCHJYFZSA-N 413.926 4.709 50 1 HJGF COc1ccc(Cl)cc1C#CCc1nc2ccccc2nc1CBr 587899286 AJCZMHJHFNGAPR-UHFFFAOYSA-N 401.691 4.781 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)O2 587371922 IAQXLQNTHAFYDK-QFIPXVFZSA-N 400.906 4.661 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1oc4ccccc4c1C)[C@@H](C2)C3=O 587411508 CUUIBHBNMCJPBX-BTYIYWSLSA-N 413.267 4.788 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(F)ccc2F)N1 587720995 VABCOXUZUIHEEU-HUTHGQBESA-N 404.657 4.883 50 1 HJGF CCCc1c(O)ccc2c1OC([C@@H](C)Br)([C@@H](C)Br)CC2=O 587451061 HTIPKNIGPVHIOY-NXEZZACHSA-N 420.141 4.616 50 1 HJGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587688354 LSWUAVYBGWXRDN-BLVKFPJESA-N 412.730 4.927 50 1 HJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc(Cl)s1 963608369 KVMIVIAPVBARAR-BMLIUANNSA-N 416.768 4.591 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(O)cc1 587542047 FJESSIDOJBPXLQ-NFBKMPQASA-N 410.853 4.974 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(F)ccc2F)N1 587720997 VABCOXUZUIHEEU-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@@H]2O)CCC[C@@H]1C 2356485399 FIJWKNVOCSKASL-JFTIDPPCSA-N 416.558 4.554 50 1 HJGF O=C1C[C@@](CBr)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1 587497382 CFGIPCHQEGFBSQ-OAQYLSRUSA-N 411.299 4.697 50 1 HJGF C[C@]1(c2ccc(O)c(CCCl)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716722 VTDPZNQNGBKKKV-VGSWGCGISA-N 405.966 4.940 50 1 HJGF CC(=O)c1ccc2c(c1)[C@](C)(CCCCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632853 UPVZKGJLGUEMSN-AVRDEDQJSA-N 423.937 4.760 50 1 HJGF COc1ccc(CCC[C@H]2CO[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]2[C@]53OO4)cc1 43871859 YNPXNHUHFVZDSX-QTMVIAFVSA-N 402.531 4.880 50 1 HJGF Cc1ccc(-c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083243 KMKPSYYYUVGGLH-UHFFFAOYSA-N 417.856 4.603 50 1 HJGF C[C@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544188 NANJGDSPEFKTQM-NZQKXSOJSA-N 410.853 4.756 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(F)cc2)N1 587736636 SUOPMBDZKUYKQG-ADLMAVQZSA-N 409.299 4.719 50 1 HJGF O=C(N/N=C/c1cccc(O)c1O)c1ccc(-c2nc3cc(Cl)ccc3s2)cc1 1911573780 AQQLMDDCHPRBJS-FOKLQQMPSA-N 423.881 4.792 50 1 HJGF Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587674313 VYNUDNPZZJFJNL-JDNHERCYSA-N 417.116 4.662 50 1 HJGF Cc1cccc(C)c1N(C(=O)CCl)S(=O)(=O)c1cc(Cl)sc1Cl 53226494 YAOMKDYFOIFQHC-UHFFFAOYSA-N 412.747 4.632 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCCl)c2)N1 587685302 PMWAIBTZVILHOQ-JEOXALJRSA-N 412.730 4.873 50 1 HJGF CCOc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541855 DMZFVXXBVBZUOA-OFNKIYASSA-N 410.853 4.887 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1oc3ccccc3c1C)O2 587374748 QCPDYPKBXRBTIJ-HXUWFJFHSA-N 400.272 4.887 50 1 HJGF O=C(O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497425 CHQWOHMKVGJASJ-OAQYLSRUSA-N 415.283 4.519 50 1 HJGF CC(=O)c1csc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846045 GJIWNDVXXHFUGB-XYZCENFISA-N 416.743 4.869 50 1 HJGF COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C 32620354 YNJGIRCXBRHVAS-UQQQWYQISA-N 419.481 4.617 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1 587538278 OPRIIVACCJVUQL-WIYYLYMNSA-N 411.251 4.990 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587677541 AXEDVOBXWXTIOF-GIGQVBGESA-N 421.697 4.613 50 1 HJGF O=c1cc(C(F)(F)F)c2cc(N(CC(Cl)Cl)CC(F)(F)F)ccc2[nH]1 14968445 FJYYODGEBOQVOI-UHFFFAOYSA-N 407.141 4.719 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)CC2=O 587459787 PQNLUKXUMLQTKH-XMHCIUCPSA-N 401.890 4.791 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCCl)cc2)N1 587686768 XIXFVVOPSJVQAF-BLVKFPJESA-N 411.746 4.887 50 1 HJGF COC(=O)c1cccc(CBr)c1CC#Cc1cc(Cl)ccc1OC 587897972 CMQWBVZUZQHSIX-UHFFFAOYSA-N 407.691 4.624 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)O2 587413456 OHVLVOUJLSPMJR-ZHRRBRCNSA-N 423.925 4.951 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O 587426098 KTBMWLBNOJTSJH-UGSOOPFHSA-N 411.654 4.526 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587414119 SKGKRDMDLHKTBZ-PGRDOPGGSA-N 409.279 4.886 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@H]1Br 587460051 RCVJEPQSFMVGHC-CTNGQTDRSA-N 401.300 4.915 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccsc2)N1 587852946 JSBUAUKEPDLPAO-RFAUZJTJSA-N 419.157 4.822 50 1 HJGF Br[C@H](Cn1ncc2c(NC3CCCCC3)ncnc21)c1ccccc1 28570751 NMFGININXYDXJB-QGZVFWFLSA-N 400.324 4.707 50 1 HJGF COc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1 82052527 NDGWVHDVDVAUJV-SFHVURJKSA-N 405.361 4.564 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102240001 NUSHWYGPTNGTTO-RDWYLPLNSA-N 422.949 4.843 50 1 HJGF CN(CCCl)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545575 RRGJRHKTXYJQSJ-NFBKMPQASA-N 409.869 4.770 50 1 HJGF CC1=C(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 5811335 KESXQHZIRZKRKH-JYZFNGOFSA-N 416.558 4.698 50 1 HJGF [C-]#[N+][C@]12C[C@@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C 96888355 KAXIDSYNDHUROH-OWINPNOJSA-N 404.554 4.949 50 1 HJGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CCCCl 587880955 HNIODUBEUVFDLN-UHFFFAOYSA-N 424.755 4.884 50 1 HJGF Cc1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610823 YCBFJWIFONAOPC-NFBKMPQASA-N 403.459 4.772 50 1 HJGF CCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCC1 13675481 VHYRCGIELIZFFK-LJQANCHMSA-N 412.921 4.578 50 1 HJGF CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\C=O)CC[C@@H]2O[C@]21C 169362407 ZCZKJKIOPWIFME-IXHLPVQVSA-N 416.558 4.611 50 1 HJGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1CC)C(=O)[C@@H](C)Cl 40956336 BTAFNIBINZJHCI-IAGOWNOFSA-N 401.938 4.531 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)CC2=O 587458499 JXLCXLQXERWSON-WHEQGISXSA-N 401.890 4.791 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(C(F)(F)F)cc2[nH]1 587009331 ACPCZHLHNUGBBW-KRWDZBQOSA-N 420.822 4.702 50 1 HJGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1 40685155 BJMUBALPANLULR-WJPJUITFSA-N 406.507 4.636 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1F)CC2=O 587466984 OVOCGOZPVOFUIA-LJQANCHMSA-N 411.242 4.879 50 1 HJGF C=C(C)[C@@H](Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)OO 86000135 JSZZQWZCXGLNKJ-QGZVFWFLSA-N 410.422 4.518 50 1 HJGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)O2 587374260 VLRZKWGNNKQXJE-QFIPXVFZSA-N 400.906 4.661 50 1 HJGF CN(C)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499180 LGEYXPHJUTTYCU-QFIPXVFZSA-N 414.343 4.887 50 1 HJGF C=C(CC(=O)O)C(=O)CC=C(C)C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr 2356512844 GOWQWBXAQSXSLZ-ZBFHGGJFSA-N 410.135 4.993 50 1 HJGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C=O)=C(n5ccnc5)[C@@]4(C)CC[C@@H]32)C1 136466199 ZDYHFZKELXEXOP-JMTDQOONSA-N 408.542 4.798 50 1 HJGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587554879 FMWVMAFRFDZFEK-SIKLNZKXSA-N 414.816 4.636 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OC)CC2=O 587456936 STEHLEZBMXHHOC-FQEVSTJZSA-N 405.288 4.609 50 1 HJGF COC(C)(C)[C@@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586971394 RPTCBQMQOSGADN-JTQLQIEISA-N 401.610 4.976 50 1 HJGF N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12 169348512 KZKSIHJMTLALSU-UTKZUKDTSA-N 414.892 4.966 50 1 HJGF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 587087292 OCYNSSIJOXRCEZ-LLVKDONJSA-N 422.092 4.686 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](C)Br)CC2=O 587457430 ZJMXYBSVAFIARY-LRTDBIEQSA-N 419.315 4.997 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(CCl)c1F 587894712 WTZUPOCJJCAWMJ-UHFFFAOYSA-N 402.655 4.721 50 1 HJGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C#N)c2ccccc2)c1 34080946 DNMOPWGIJSGICE-RCCKNPSSSA-N 411.505 4.607 50 1 HJGF O=C1C[C@@](CBr)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 587496407 BNIRHPCSBCWILZ-CQSZACIVSA-N 413.180 4.862 50 1 HJGF C[C@@H]1CC[C@@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169323018 KVHGGKMBZYNYJO-FOQBDXEVSA-N 400.515 4.788 50 1 HJGF CC1=C(C=O)C(C)(C)[C@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)CC1 1857572786 YVVBWHWZYRDAJE-ZGTHKHSNSA-N 420.590 4.908 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)CCl)c1CC)CC2=O 587462299 XKLWNWHRUXRUTN-QFIPXVFZSA-N 403.906 4.846 50 1 HJGF C[C@@H]1CC[C@@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 194908314 KVHGGKMBZYNYJO-FQDGMKLWSA-N 400.515 4.788 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(F)c1 587556966 LFLIBMYNVBPDPA-RXVVDRJESA-N 402.780 4.766 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sccc1CBr 587897123 VGYROKAVSVNJAB-UHFFFAOYSA-N 417.155 4.660 50 1 HJGF COc1cc(Cl)c2nc3ccccc3c(N3N=C(CBr)CC3=O)c2c1 49125564 NPUOZVWCICKSBO-UHFFFAOYSA-N 418.678 4.538 50 1 HJGF COC(=O)c1sc(-c2ccc(F)cc2)nc1C(Br)Br 72171003 CWRIHTXDENDLFJ-UHFFFAOYSA-N 409.074 4.524 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccon3)c1C)CC2=O 587461885 UWZUBGPWRUXQHA-JOCHJYFZSA-N 414.889 4.840 50 1 HJGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc(Cl)s1 963608371 KVMIVIAPVBARAR-DYZYQPBXSA-N 416.768 4.591 50 1 HJGF O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 40891604 SFMVNVIPJPXDKY-QXBNKWALSA-N 410.452 4.702 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(O)cc1 587542048 FJESSIDOJBPXLQ-NZQKXSOJSA-N 410.853 4.974 50 1 HJGF C[C@]1(c2ccc(CCl)cc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177090 HWXBAUZMWPTTJZ-RDTXWAMCSA-N 418.242 4.960 50 1 HJGF CC(C)(C)[Si](C)(C)OCCCCC(=O)Nc1nc(N)c2c(ccc3[nH]ccc32)n1 211447253 IFWUNNOAJJVMFN-UHFFFAOYSA-N 413.598 4.824 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O 587416659 BWTABWRRMDSZHI-CVDCTZTESA-N 411.885 4.637 50 1 HJGF CN1C(=O)CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587499358 SKILTRNODYSLIY-XMMPIXPASA-N 409.913 4.574 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Br)[C@@](C)(Br)[C@@H](O)CCl 2356789388 DFPMJUMCRWLQHD-XFWSIPNHSA-N 417.396 4.643 50 1 HJGF N#CC1=COc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498606 OVAWTUKGFIKSJE-JOCHJYFZSA-N 422.278 4.988 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCCl)c2)N1 587684929 NBHXBBCSCYNKEK-JEOXALJRSA-N 412.730 4.873 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccs2)N1 587848650 OZEWBROMNBAYQN-BJOHPYRUSA-N 419.157 4.822 50 1 HJGF C[C@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356773307 WMPMZFMYRMBUAX-SPYXRDKXSA-N 407.649 4.505 50 1 HJGF O=C1c2ccc(O)cc2OC2(CCC(Br)CC2)[C@H]1c1ccc(F)cc1 587325351 XRZCZXZKUHOMHA-IXOJTGDKSA-N 405.263 4.967 50 1 HJGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)[C@@H](C2)C3=O 587423780 WBXMWSNZQMRBEN-GAJHUEQPSA-N 413.901 4.562 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)CCl)c2)N1 587847158 JLKIHFPEKLKTMV-HUTHGQBESA-N 416.743 4.869 50 1 HJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc(Br)cc1 58575648 MPSYFRPQMZSPAQ-LJQANCHMSA-N 417.266 4.673 50 1 HJGF NNC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587011997 UNTQZVASTLGCTO-UHFFFAOYSA-N 420.519 4.933 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)CCl)c1CC)CC2=O 587462298 XKLWNWHRUXRUTN-JOCHJYFZSA-N 403.906 4.846 50 1 HJGF Cc1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610833 YCBFJWIFONAOPC-REWPJTCUSA-N 403.459 4.772 50 1 HJGF C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568854 ODTGPOPSSPNBCJ-NJVGJHJISA-N 404.393 4.620 50 1 HJGF CCN(c1ccc(-c2csc(/C(C#N)=C\c3cccs3)n2)cc1)S(C)(=O)=O 587923036 LAQQRRQIYSKVPL-PTNGSMBKSA-N 415.565 4.722 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2[nH]c(O)cc2c1 587547362 ZPUHFVZTEBPGTE-NFBKMPQASA-N 421.836 4.675 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2F)N1 587725196 CDLMCERRWVHJJW-ADLMAVQZSA-N 400.694 4.938 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCCC4)[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49678242 VSKHDVZYZJISFP-KXZSJBCISA-N 416.562 4.534 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3nccc(Cl)c13)CC2=O 587458463 CBSWKHBSCRNPHG-HXUWFJFHSA-N 405.281 4.974 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(F)c1 587556962 LFLIBMYNVBPDPA-GHTZIAJQSA-N 402.780 4.766 50 1 HJGF C[C@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609898 AUKPOJOMEKIUJT-GHTZIAJQSA-N 414.866 4.752 50 1 HJGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@]2(O)OO1 2356736127 UKQVHATZFXVPJW-GDKQOWJMSA-N 402.531 4.877 50 1 HJGF C=C(C=O)CC[C@@H]1C(=C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@@H](C(=O)OC)CCC[C@]12C 2356784106 NGHSDDKIMCCYAA-PICATGQPSA-N 424.537 4.919 50 1 HJGF COc1ccc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)cc1 13647771 GQFFXJQPXNHYKQ-HEHNFIMWSA-N 401.495 4.550 50 1 HJGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 587070494 HKRKHSJIQAFEQN-SIKCBANDSA-N 415.324 4.839 50 1 HJGF CC(C)[C@]1(OO)C=C[C@@]2(C)[C@H](C1)[C@](C)(OC(=O)C=Cc1ccccc1)CC[C@H]2O 2356472839 KOEMDAUUEQWERD-QRENLGSJSA-N 400.515 4.623 50 1 HJGF COc1cccc([C@@H](C)N(C)CCCNC(=O)CCCC[C@@H]2CCSS2)c1 73139275 IEDFSYAYEIZFGF-YLJYHZDGSA-N 410.649 4.908 50 1 HJGF Cc1ccc(/C=N/NC(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)cc1 474607657 JTRYLILEHXWAAR-PGMMUHLUSA-N 415.880 4.905 50 1 HJGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587498484 NTNAOCCTYOCRJK-XMMPIXPASA-N 423.896 4.933 50 1 HJGF CC1=NN(c2ccccc2Cl)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009760 VZGYBNUVGMPAAN-LPHOPBHVSA-N 417.321 4.886 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(F)cc2)N1 587737113 WOAVELPGBLZDCK-ADLMAVQZSA-N 409.299 4.719 50 1 HJGF CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1Cl 587328146 IVDATBQCBATACP-RMEPHLEKSA-N 404.865 4.824 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(/C=C/C=O)c2F)N1 587725371 CVAGHLVAYGBBJS-OLGUCIJZSA-N 406.270 4.737 50 1 HJGF Cc1ccc(N/N=C2/C=CC(=O)C(P(=O)(c3ccccc3)c3ccccc3)=C2)cc1 100492630 MXYMXBLOPNLLCB-MEFGMAGPSA-N 412.429 4.800 50 3 HJGF O=CC1=C(Sc2ccc(O)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45259618 GMMDTJGXUJRDEV-UHFFFAOYSA-N 424.547 4.539 50 1 HJGF Cc1cc(/C=C(\C#N)c2nc3c(N)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054455 FWVGQGZSWAWZPS-NTUHNPAUSA-N 424.295 4.714 50 1 HJGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCBr)c1)CC2=O 587455824 GRCULPQTFNBDDZ-LJQANCHMSA-N 405.288 4.825 50 1 HJGF Cc1ccnc2c1CCN[C@@]2(CBr)c1ccc(Oc2ccccc2)cc1 963078862 ZPWFBUHRIJJJBB-QFIPXVFZSA-N 409.327 4.967 50 1 HJGF CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1 1772596646 BOJJPUWMSNWHBZ-OAQYLSRUSA-N 407.477 4.707 50 1 HJGF N#Cc1c(Cl)nc(SC[C@H]2CO[P@@](=O)(Cl)O2)nc1-c1ccccc1 96910377 KYTQSUMDCREUTQ-WYVULQQZSA-N 402.199 4.523 50 1 HJGF CC1(C)O[C@@H]2[C@H](CCl)O[C@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 40737425 JAGSEXUPXYZVOI-LOWDOPEQSA-N 412.100 4.653 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587414121 SLNTYJBVRISWIQ-PGRDOPGGSA-N 413.311 4.612 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2CC[C@@H]1Br 587493889 HFFZKUPMSDRFBZ-HKUYNNGSSA-N 407.329 4.977 50 1 HJGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008904 RIQCOFDNYRMCPF-NSHDSACASA-N 404.706 4.536 50 1 HJGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587497668 KCKCGQGLIZKLFX-XMMPIXPASA-N 409.913 4.895 50 1 HJGF FC(F)(F)Oc1cc(Br)c2[nH]c(CCCCBr)nc2c1 586971973 BHZVLZJNZHIZRC-UHFFFAOYSA-N 416.035 4.942 50 1 HJGF N#Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532616 RCJYQFIZSIRIPD-IBGZPJMESA-N 402.313 4.754 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)COC2 587542180 FXQQSLSTJKZGIX-NZQKXSOJSA-N 408.837 4.518 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CBr)CC2)N1 587674107 SVGJVXPILGLPHT-SGWRBKMISA-N 405.149 4.903 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)ccc2O)N1 587689098 PLUXRKCHMJVUMW-HUTHGQBESA-N 419.121 4.964 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(F)c2)N1 587726169 VMDWJPUEBGHLCU-XYZCENFISA-N 404.657 4.883 50 1 HJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1ccc[nH]1 961777909 OUBDBQJLEHDBOU-QFIPXVFZSA-N 401.938 4.648 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1 587538061 MWCDZPCZGWJIJD-NQIIRXRSSA-N 411.251 4.644 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccsc1 587619735 USBLHNHNHOOPRD-VQIMIIECSA-N 417.280 4.706 50 1 HJGF Fc1cc(F)c([C@@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cc1F 963112914 XWCPCRRJROOVAC-BUXKBTBVSA-N 414.240 4.902 50 1 HJGF COc1cccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)c1 5582836 FHXHOSMJBRZFCK-QBRFHGNMSA-N 415.497 4.945 50 1 HJGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498335 NCZOGNDXGUODPH-DEOSSOPVSA-N 411.929 4.643 50 1 HJGF COc1cccc2c1OC=C(C=O)[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199809 ZAOWMVDEUHBNES-SHQCIBLASA-N 422.484 4.537 50 1 HJGF COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36311308 GUBVBDORJZIYDR-UHFFFAOYSA-N 413.433 4.525 50 1 HJGF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)N(C)[C@@H](C)C2 962633452 TXJVPXGZPOYARQ-QCZLMCJCSA-N 418.965 4.599 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)Br)(C(F)(F)F)N1 587706153 OJVYVAJLXOBAQA-QHMRUWFYSA-N 419.054 4.663 50 1 HJGF Cc1nc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587328913 WNZSZCZPDSFGEP-WIYYLYMNSA-N 401.821 4.629 50 1 HJGF CO[C@]1(C(Br)Br)O[C@@H](C(C)=CCl)CC(Cl)=C1C 2356805414 VIDQQDMZLUDVNZ-KOLCDFICSA-N 408.945 4.889 50 1 HJGF O=C1c2cccnc2-c2nccc3c2c1nc1ccc(N(CCCl)CCCl)cc13 27213789 CDSDBTYEKSPYEZ-UHFFFAOYSA-N 423.303 4.673 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 587327352 PJSOFLNPFXDDMD-UPVQGACJSA-N 424.855 4.959 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2)N1 587673889 RFWQYKITKVSHEL-APPDUMDISA-N 413.128 4.761 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCC2)N1 587673943 RVFQIFBJNSYJJH-QFYYESIMSA-N 405.149 4.903 50 1 HJGF C[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706148 OJVYVAJLXOBAQA-KEHGIVTQSA-N 419.054 4.663 50 1 HJGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 104007056 PVAIESCAGRHBQL-RCCKNPSSSA-N 405.461 4.678 50 3 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(C)C)cc1)O2 587375108 QYYOHVDBRVDXLT-FQEVSTJZSA-N 404.304 4.620 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@@H](C)Br)O2 587376668 XUHCIKDANQAFQE-ASSNKEHSSA-N 400.316 4.710 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2F)N1 587731278 YTINSYICZYAFST-VOJFVSQTSA-N 409.299 4.719 50 1 HJGF CC(=O)[C@@]1(OC(=O)[C@@H](F)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356340070 GTIGEMPITXNVCC-DCCLSMNISA-N 424.940 4.924 50 1 HJGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587687727 HLJKHVJXJKAPQE-HXPMCKFVSA-N 412.730 4.927 50 1 HJGF CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@@H](Cl)c1ccccc1 13491818 SGBZEJRVXGMMLP-GOSISDBHSA-N 400.910 4.800 50 1 HJGF N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@]12Cc1ccc(C#N)cc1 16052276 TZCXQSNBTXDAJG-QFIPXVFZSA-N 408.288 4.760 50 1 HJGF in-vivo O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1 96939302 QOXSLPNLXAITJM-KGLIPLIRSA-N 418.061 4.640 50 1 HJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587324096 OXTJMPUIANTWMS-GGPKGHCWSA-N 405.263 4.967 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417800 MHAQGXQBKFABCA-XAILHKCVSA-N 407.691 4.728 50 1 HJGF O=C(CCC[C@H]1OO[C@H]2CCC[C@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 38158840 VCLJIWZABVPVGH-FDFHNCONSA-N 420.408 4.934 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@H](C)Br)[C@@H](C2)C3=O 587414030 KBPLKXXOBVEKDX-WHECPESLSA-N 413.311 4.610 50 1 HJGF Clc1ccc(CN(Cc2cccnc2)C2=NC[C@@H](CBr)S2)cc1 653712774 GCAZLRVTJGCSNH-MRXNPFEDSA-N 410.768 4.604 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OC)CC2=O 587456937 STEHLEZBMXHHOC-HXUWFJFHSA-N 405.288 4.609 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)CC2=O 587495337 QACSIDXTPDKYAZ-LAJNKCICSA-N 421.946 4.530 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CCl)cc(Cl)cc3c1=O)O2 587374894 KFLHYHNUFUDQGQ-KRWDZBQOSA-N 404.249 4.782 50 1 HJGF C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857602532 CRCKPWUFZGCCQT-KRWDZBQOSA-N 422.375 4.984 50 1 HJGF O=C(CCl)NCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 45323225 INXRTAYVKJMIKE-UHFFFAOYSA-N 414.720 4.777 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)c(Cl)c1 587880706 YWUNTRQTTBNOCM-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF CCOc1ccc(Cc2ccc(Cl)c(Cl)c2)cc1/C=C(\C#N)S(C)(=O)=O 1857557565 XPEGCUBNFKUYPX-LFIBNONCSA-N 410.322 4.892 50 1 HJGF C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccccc1 96934039 TTWWMNDNYMMOHF-MMKMLUHNSA-N 418.367 4.808 50 1 HJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccccc1 98081858 BUDDNBGHVJRDCV-JOCHJYFZSA-N 409.445 4.842 50 1 HJGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 101602143 HZZFZZUXQRKYMK-HQMFNGAOSA-N 409.442 4.523 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417797 MHAQGXQBKFABCA-PYFOHURJSA-N 407.691 4.728 50 1 HJGF COc1cccc2c1OC=C(C=O)[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963199810 ZAOWMVDEUHBNES-SQHAQQRYSA-N 422.484 4.537 50 1 HJGF C=C(CC(=O)O)C(=O)C/C=C(C)/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br 13379414 GOWQWBXAQSXSLZ-FTQBFQHLSA-N 410.135 4.993 50 1 HJGF biogenic,in-vitro COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccccc34)c3ccccc32)cc1 82157655 UIVJIYCLTXWRPZ-MUXKCCDJSA-N 422.488 4.943 50 1 HJGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533564 XEYLTOKMJZCFQP-MCMMXHMISA-N 417.958 4.751 50 1 HJGF CC(C)[C@]1(OO)C=C[C@@]2(C)[C@H](C1)[C@@](C)(OC(=O)C=Cc1ccccc1)CC[C@H]2O 2356472837 KOEMDAUUEQWERD-IOXZRWQCSA-N 400.515 4.623 50 1 HJGF C=C(CC(=O)O)C(=O)CC=C(C)C=C[C@H](Cl)[C@](C)(Cl)C=CBr 2356512842 GOWQWBXAQSXSLZ-GOEBONIOSA-N 410.135 4.993 50 1 HJGF COc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 40879841 UWPJSEOQLMGKAS-JAMVSGQDSA-N 422.488 4.572 50 1 HJGF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103206979 FXXCYCLMRYIVGO-OAQYLSRUSA-N 411.461 4.658 50 1 HJGF O=C1C[C@@](CBr)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587499740 OOINFNNWISJZBH-HXUWFJFHSA-N 416.271 4.729 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(C(F)(F)F)c2[nH]1 587009553 KVYIPORFKHQNLR-INIZCTEOSA-N 420.822 4.702 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587458980 GGHCLVWKMAVYKD-GCJKJVERSA-N 423.937 4.687 50 1 HJGF Cc1ccc(Oc2ccc(C(=O)NCCCSSCCN(C)C)cc2)cc1 618012673 WFVXFDCYANXJAN-UHFFFAOYSA-N 404.601 4.850 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)CCl)c2)N1 587847162 JLKIHFPEKLKTMV-XLFHBGCDSA-N 416.743 4.869 50 1 HJGF CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccnc(CCl)n1 587939690 IRSWJTFUGHDUEY-UHFFFAOYSA-N 409.914 4.537 50 1 HJGF O=C(CCC[C@H]1OO[C@H](CCCC(=O)c2ccc(F)cc2)OO1)c1ccc(F)cc1 101261037 WXBCBVMUEOHLBV-SZPZYZBQSA-N 420.408 4.933 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1)CC2=O 587455881 HEYWEGXRCDZPON-FQEVSTJZSA-N 405.288 4.609 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(F)c1F)CC2=O 587467407 RJTNBAGWLOQZPZ-LJQANCHMSA-N 411.242 4.879 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(CP(=O)(OCC)OCC)CC2=O 587488859 RVOPKATXKSTMRH-SFHVURJKSA-N 404.827 4.554 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C2)C3=O 587422936 WGDCPUXZJJFRFN-KXBFYZLASA-N 413.823 4.558 50 1 HJGF COc1ccc2c(c1OC)[C@@H](c1cccc(F)c1CBr)N(C)[C@@H](C)C2 962628145 OHHVXSLSONQPRR-HXPMCKFVSA-N 408.311 4.704 50 1 HJGF CC(C)=CC(=O)O[C@H]1/C=C/[C@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@H]2O[C@]12C 85981683 ZCZKJKIOPWIFME-MSLVPRIHSA-N 416.558 4.611 50 1 HJGF O=C(CCC[C@@H]1OO[C@H]2CCC[C@@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 138143804 VCLJIWZABVPVGH-BDTNDASRSA-N 420.408 4.934 50 1 HJGF NNC(=O)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082605 SLFTUQBSIGYKDO-UHFFFAOYSA-N 413.868 4.702 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 962952647 VLJOGKUUMGKXRP-VBKZILBWSA-N 414.303 4.639 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203916 FWSXXZYOPVMHGY-CYBMUJFWSA-N 400.906 4.558 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2C[C@@H]1Br 587460141 RSORQMYRVAZLOR-PZJWPPBQSA-N 417.299 4.534 50 1 HJGF CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587500241 AITGOFABARNESR-QFIPXVFZSA-N 401.865 4.762 50 1 HJGF Cc1cc(C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 33406843 CFXQLSJQBLBPLQ-KSEXSDGBSA-N 414.824 4.559 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587684068 KEUDWVJZMGFAGT-APBUJDDRSA-N 423.713 4.792 50 1 HJGF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262229 GLXWHOSDCHKLKV-MIMYLULJSA-N 413.368 4.881 50 1 HJGF CSc1nc(Nc2cccc(O)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 299869653 VADPBYPWJLBNMX-KRWDZBQOSA-N 411.918 4.978 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2F)N1 587725374 CVWSBYVUBIRIBW-VPTHRUTESA-N 422.100 4.792 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(NC(=O)C3CC3)cc2)N1 962945868 GZASPVOFEHIHGR-MZNJEOGPSA-N 407.945 4.923 50 1 HJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCCl)[C@H]3CC[C@@H]12 26003042 ZKYICTSKRHTRLQ-BYKUIFLTSA-N 406.010 4.603 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2CC[C@H]1Br 587493892 HFFZKUPMSDRFBZ-MJGOQNOKSA-N 407.329 4.977 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(F)c1 587556964 LFLIBMYNVBPDPA-NQIIRXRSSA-N 402.780 4.766 50 1 HJGF O=C(NN/C=C1\C=Nc2ccccc21)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 13124111 PLKDTAJSGFWVEB-CAPFRKAQSA-N 405.461 4.735 50 3 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N=[N+]=[N-])cc1)[C@@H](C2)C3=O 587412676 JRUZAVSYHCYOQR-KBXCAEBGSA-N 400.232 4.675 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(F)cc2)N1 587734952 OFERWAQJCSICKF-VOJFVSQTSA-N 400.694 4.938 50 1 HJGF COCCOCC(=O)n1cc(/C(C#N)=C/c2cccc3cnccc23)c2ccccc21 1857558539 DBZWITAOVACLEN-DEDYPNTBSA-N 411.461 4.557 50 1 HJGF C=C(C=O)CC[C@@H]1C(=C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@@H](C(=O)OC)CCC[C@@]12C 2356784104 NGHSDDKIMCCYAA-CTVYPFPQSA-N 424.537 4.919 50 1 HJGF N#Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325091 BYSVREKKWNSQGK-JTHBVZDNSA-N 407.828 4.896 50 1 HJGF N#CSC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567444 APDWDYJCXGZUJC-UGKGYDQZSA-N 407.422 4.603 50 1 HJGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@]1(C)c2cccc(Br)c2CCN1C 963279338 HKXNKCRRLXENKE-ODXCJYRJSA-N 423.782 4.955 50 1 HJGF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)S[C@H](Br)C2)cc1 103280233 ZDKDJPMPVZPWRB-INIZCTEOSA-N 413.333 4.955 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(C)=O)c1C)([C@H](C)Cl)CC2=O 587459190 NBFWLANBHUFHBY-RCDICMHDSA-N 403.906 4.980 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)COC3)N1 587685021 NMRINCLRNFBLOB-NSPYISDASA-N 410.714 4.635 50 1 HJGF COc1cccc2cc3c(nc12)[C@](CCCCl)(c1ccc(F)c(F)c1)NCC3 963035228 MRJLTDOEEGPZGD-QFIPXVFZSA-N 402.872 4.930 50 1 HJGF CCCCCn1cc([C@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cn1 1772646415 KNPQKIITFKRJFL-NRFANRHFSA-N 416.447 4.637 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O 587421754 ANYGGGOWDTVORY-KPZWWZAWSA-N 411.654 4.526 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4sccc4c1)[C@@H](C2)C3=O 587452476 NJLKJCCZXSBQTE-YWZLYKJASA-N 415.308 4.948 50 1 HJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587505187 LKDLNSYNXFUQLC-OAQYLSRUSA-N 419.290 4.969 50 1 HJGF CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1 587923792 OTHGYPLKOAPLLV-YSWHLYNJSA-N 407.520 4.802 50 1 HJGF C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C(=O)O)cccc21 963120333 GNTCAPLGVFVBRB-OXLVUPRKSA-N 418.375 4.726 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCC2)N1 587673942 RVFQIFBJNSYJJH-MGPLVRAMSA-N 405.149 4.903 50 1 HJGF COc1ccc2c(c1OC)[C@@H](c1cccc(F)c1CBr)N(C)[C@H](C)C2 962628139 OHHVXSLSONQPRR-CWTRNNRKSA-N 408.311 4.704 50 1 HJGF CCn1ncc(/C=N\NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C 15989724 AWGRCCCILXISOE-WGARJPEWSA-N 413.525 4.595 50 3 HJGF CC1=C(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 17188539 KESXQHZIRZKRKH-FCJJVERKSA-N 416.558 4.698 50 1 HJGF O=C1C[C@@](CBr)(c2ccnc(Cl)c2)Oc2c1ccc1c2CCCC1 587498931 KDOYMCNPRSHHSC-LJQANCHMSA-N 406.707 4.869 50 1 HJGF CCOC(=O)c1nc2ccc(O)c3c2c(c1CCCCCl)-c1ccccc1C3=O 586986962 WGJLLUKIJJVGHQ-UHFFFAOYSA-N 409.869 4.890 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2F)N1 587726353 WRDXBOKCPLJKFJ-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@H]1Br 587461763 YYDDQBAQROVKAT-CTNGQTDRSA-N 417.299 4.534 50 1 HJGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCC1 13675505 MDXCXXDYIGJXGG-IBGZPJMESA-N 412.921 4.577 50 1 HJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccc(CO)cc1 963205347 OKABNLPWHLOXEE-DQEYMECFSA-N 402.925 4.784 50 1 HJGF COc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 13108585 PHJGADOWCUPDAB-QFEZKATASA-N 415.449 4.584 50 1 HJGF COc1ccc(/C=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 33340704 QBEWYPHZLGJTHZ-VEILYXNESA-N 424.504 4.766 50 1 HJGF C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC(=C2C3CC4CC(C3)CC2C4)OO1 43552779 USSHIUPQEMGBTO-IJMUDAACSA-N 424.946 4.519 50 1 HJGF C#C/C=C\[C@H](Cl)[C@@H](OC(C)=O)[C@H]1CC=C(Cl)C[C@H](Br)[C@@H](CC)O1 140478744 YJTPAUDBSKEZCC-AJRMRATJSA-N 424.162 4.559 50 1 HJGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371138 DFUZQOCYRWXFNJ-JOCHJYFZSA-N 400.906 4.560 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1)CC2=O 587455351 AVXHYGMANVBJIO-IBGZPJMESA-N 420.259 4.509 50 1 HJGF CC(C)(C)N(NC(=O)c1ccccc1Br)C(=O)c1ccccc1Cl 103179455 XOMSSWCTXPZCIF-UHFFFAOYSA-N 409.711 4.688 50 1 HJGF [C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261184022 WVFZEGXYWHBNDW-IBGZPJMESA-N 417.419 4.898 50 1 HJGF Cc1c(F)ccc2c1[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)NCC2 962297123 IERRNHIPPVPZAW-DNVCBOLYSA-N 416.256 4.919 50 1 HJGF O=C(CNc1cccc(Oc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl 201287538 PDXVRCZNPFLZJP-KIBLKLHPSA-N 415.280 4.743 50 1 HJGF Cc1cc(Cl)cc2c(CN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587623686 LSROLNCGELQOSK-UHFFFAOYSA-N 417.690 4.821 50 1 HJGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cccs1 963288529 CSZOSVHAPMQVLJ-OAHLLOKOSA-N 401.167 4.637 50 1 HJGF CC[C@H](C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1 13675559 UDDYZKUDMQCGFA-IFXJQAMLSA-N 412.921 4.941 50 1 HJGF CC1=C(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 17188545 KESXQHZIRZKRKH-IAXNKHDSSA-N 416.558 4.698 50 1 HJGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@H](Cl)C(=O)O)cc1)O2 27425786 DRPXSXYLTJAZSG-CVDCTZTESA-N 418.917 4.715 50 1 HJGF CCOC(=O)Cc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972792 BSTGGHNEVXELAP-ZDUSSCGKSA-N 401.304 4.715 50 1 HJGF COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](Br)C2 587499680 ULCFFSUSNKICLP-IFMALSPDSA-N 413.311 4.754 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2F)N1 587726696 KLEGQXAJWIHTSQ-ZMZPIMSZSA-N 409.299 4.719 50 1 HJGF Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587674311 VYNUDNPZZJFJNL-ABKXIKBNSA-N 417.116 4.662 50 1 HJGF CCOC(=O)NN=C(C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356506851 LJXRMMRZNQCIDI-BKQNDSSNSA-N 400.563 4.968 50 1 HJGF N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOC1 587248095 CQIOAUMXTKPKHJ-NSHDSACASA-N 408.190 4.557 50 1 HJGF COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587371413 DMKXNCZXGRKFAB-NSPYISDASA-N 424.722 4.883 50 1 HJGF C[C@@H](Br)C(=O)Nn1c2c3cccc4cccc(c=2[nH]c2ccccc21)c43 1772642438 QIKJVMIRNHLYHI-GFCCVEGCSA-N 406.283 4.854 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)c(Cl)cc1F)O2 587382136 OMKVXDIHVMYJIC-SFHVURJKSA-N 412.686 4.934 50 1 HJGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCCl)cc1 587644442 CXIGXENDQNTIAY-UHFFFAOYSA-N 400.862 4.975 50 1 HJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc(Br)cc1 64372899 MPSYFRPQMZSPAQ-IBGZPJMESA-N 417.266 4.673 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CCl)cc21 587374294 IDYIYTIQMMQATE-XMMPIXPASA-N 403.865 4.769 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(CCl)c2O)N1 587726853 LNSZVYWCVQSDHN-LZVRBXCZSA-N 416.693 4.969 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(F)cc2)N1 587736639 SUOPMBDZKUYKQG-ZMZPIMSZSA-N 409.299 4.719 50 1 HJGF O=C(O)c1cccc2c1CCN[C@]2(CCCCCl)c1ccccc1Br 963131719 NXKZNWCQRIFIJW-FQEVSTJZSA-N 422.750 4.946 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 43308015 SPUDBSZURDOOGS-NXQFISPFSA-N 406.906 4.805 50 1 HJGF C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C 95560695 DTQOJMLSSLJXTO-KBKYJPHKSA-N 411.383 4.608 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cc(C)n(-c2cc(C)on2)c1C 963270584 PRHZFRRPHORYMP-OAQYLSRUSA-N 420.340 4.681 50 1 HJGF CC(C)[C@]1(OO)C=C[C@]2(C)[C@H](O)CC[C@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356472838 KOEMDAUUEQWERD-QISNUPPCSA-N 400.515 4.623 50 1 HJGF C[C@H](C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1 103278950 UMFPLTUONMUDNX-PSASIEDQSA-N 414.291 4.865 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cscc1CBr 587898792 NJTBTDKNLMMDEK-UHFFFAOYSA-N 417.155 4.660 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(C)=O)c1C)([C@@H](C)Cl)CC2=O 587459188 NBFWLANBHUFHBY-PEBXRYMYSA-N 403.906 4.980 50 1 HJGF Cc1cc2c(c3oc(=O)cc(CCCCl)c13)C(=O)c1c(OC(C)C)cccc1C2=O 473082208 GKEWVRHAGIYFJV-UHFFFAOYSA-N 424.880 4.835 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4sccc4c1)[C@@H](C2)C3=O 587452475 NJLKJCCZXSBQTE-MGPUTAFESA-N 415.308 4.948 50 1 HJGF Cc1c(F)ccc2c1[C@](c1cccc(CBr)c1)(C(F)(F)F)NCC2 962091993 LINKPLFMZRCVPE-QGZVFWFLSA-N 402.229 4.981 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc3c(cc2F)NC(=O)CC3)N1 962946231 KUMSIXZNQYWUMC-PSLXWICFSA-N 411.908 4.598 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(COc2ccccc2)[C@H]1c1ccc(F)cc1 587325395 DUNFCDHQYSJPNZ-JTHBVZDNSA-N 412.844 4.947 50 1 HJGF OB(O)c1cccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2O)c1 170057384 RJBIHGZOBGHWNV-OWUYFMIJSA-N 412.214 4.762 50 1 HJGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500128 YMZPXIILEKEVOQ-HSZRJFAPSA-N 415.917 4.787 50 1 HJGF COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCCBr)c(OC)c1 653758323 BZCYQDALEORZKC-PPZOTWNKSA-N 417.299 4.773 50 1 HJGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)c4ccc(F)cc4C[C@H]4CCCN43)cc21 963096472 DTCOLPCBIPPVTF-KOSHJBKYSA-N 412.936 4.948 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Cl)[C@](C)(Br)[C@H](O)CBr 2356807908 YGXQYGUCIHKQLS-RGOKHQFPSA-N 417.396 4.643 50 1 HJGF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)N/N=C/c1ccco1 653705923 CAQMJXCKBKVOSK-OPEKNORGSA-N 423.856 4.862 50 1 HJGF O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1/N=C/c1ccncc1 1772626160 QLYLEOZBTJYIGP-VULFUBBASA-N 401.857 4.791 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587730574 FXVLUCPQUBRKHG-QKVFXAPYSA-N 408.274 4.570 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccsc2)N1 587852947 JSBUAUKEPDLPAO-VFZGTOFNSA-N 419.157 4.822 50 1 HJGF C=C(C=O)CC[C@@H]1C(=C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H](C(=O)OC)CCC[C@]12C 2356784107 NGHSDDKIMCCYAA-YLGSOMAFSA-N 424.537 4.919 50 1 HJGF O=C(CCC[C@@H]1OO[C@H]2CCC[C@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 38158839 VCLJIWZABVPVGH-BHDDXSALSA-N 420.408 4.934 50 1 HJGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCl 64526977 MARSSEQSBQDASU-UHFFFAOYSA-N 404.898 4.670 50 1 HJGF C[C@H](Br)C(=O)Nn1c2c3cccc4cccc(c=2[nH]c2ccccc21)c43 1772642439 QIKJVMIRNHLYHI-LBPRGKRZSA-N 406.283 4.854 50 1 HJGF CC(=O)[C@]1(OC(=O)[C@@H](F)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356340071 GTIGEMPITXNVCC-FCFLTHKLSA-N 424.940 4.924 50 1 HJGF C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccccc1 96934037 TTWWMNDNYMMOHF-ZSXPUABSSA-N 418.367 4.808 50 1 HJGF C[C@H](C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1 103278946 UMFPLTUONMUDNX-SCZZXKLOSA-N 414.291 4.865 50 1 HJGF COC(C)(C)[C@H](Br)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586970331 DDIIIOONBSCNMH-CYBMUJFWSA-N 420.145 4.974 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)O2 587382343 OYRXIYKQIPBBQQ-SFHVURJKSA-N 400.828 4.657 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587733032 NCABBUWMFHBJPE-LAJNKCICSA-N 408.274 4.570 50 1 HJGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC(C)(C)C 13491821 YFYPHPBDXAEDJA-KRWDZBQOSA-N 400.910 4.799 50 1 HJGF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCN=C=S 27436418 AGJBKBQANMMVEF-PMACEKPBSA-N 406.599 4.682 50 1 HJGF CN(CCCl)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 28646523 DGNJMLWWGCSXDU-UHFFFAOYSA-N 418.332 4.786 50 1 HJGF N#CC1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337992 SPGVWLXTMKVODP-UPVQGACJSA-N 417.367 4.725 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(C)=O)c1C)([C@@H](C)Cl)CC2=O 587459186 NBFWLANBHUFHBY-JLCFBVMHSA-N 403.906 4.980 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2ccccc12 587542133 FSNKNTAMLPHSGN-REWPJTCUSA-N 405.837 4.969 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCO3)N1 587682505 CPEPTFJTAQWQDK-NSPYISDASA-N 410.714 4.540 50 1 HJGF CCOC(=O)[C@H](Br)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587898334 IYKCOCBBGUAQLX-GOSISDBHSA-N 407.691 4.748 50 1 HJGF COc1c(F)cccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587508236 UDANWBYSSHQBQJ-OAQYLSRUSA-N 419.290 4.969 50 1 HJGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC(C)(C)C 13491820 YFYPHPBDXAEDJA-QGZVFWFLSA-N 400.910 4.799 50 1 HJGF CC(C)(C)/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1 95562229 AQMYLJYIMCOKFK-PTGBLXJZSA-N 414.303 4.816 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OC)c1C)([C@H](C)Cl)CC2=O 587458860 LTFGWCLGQHZMFR-WHEQGISXSA-N 419.905 4.564 50 1 HJGF C[C@H](c1cccc(OCCCNC(=O)CCCC[C@H]2CCSS2)c1)N(C)C 35997369 ZRDZIXJPHJDNOM-XLIONFOSSA-N 410.649 4.908 50 1 HJGF O=C(CCC[C@H]1OO[C@H](CCCC(=O)c2ccc(F)cc2)OO1)c1ccc(F)cc1 253930157 WXBCBVMUEOHLBV-HZCBDIJESA-N 420.408 4.933 50 1 HJGF CC(C)=CCC/C(C)=C/CO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299865385 NPMPDIFJBRATPN-OKYZOQOUSA-N 413.326 4.919 50 1 HJGF O=C(Cl)[C@@H](Br)CC[C@H](Br)C(=O)c1coc2ccccc12 587280787 YIZGGILDKGEHGS-QWRGUYRKSA-N 422.500 4.688 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)OCCCO3)CC2=O 587460635 OGMWSNXPHYDATD-JOCHJYFZSA-N 402.874 4.606 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587701547 UYMBFHGHCVFFLA-GIGQVBGESA-N 419.681 4.819 50 1 HJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1 962901683 KKLGRDQQXGSNMI-SUMWQHHRSA-N 423.098 4.779 50 1 HJGF CC(C)[C@]1(OO)C=C[C@]2(C)[C@H](O)CC[C@@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356472836 KOEMDAUUEQWERD-BFHJMIFJSA-N 400.515 4.623 50 1 HJGF O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCCl 5808460 LWYPPVWISBNKOH-UHFFFAOYSA-N 415.924 4.886 50 1 HJGF CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1CBr 82155741 XMAHDQXSOOBXRY-VIFPVBQESA-N 404.098 4.931 50 1 HJGF C[C@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Br)c2[nH]1 586973006 DXQKWHSUCCGXPB-MRVPVSSYSA-N 413.088 4.906 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1F 587568394 LIMPRYXOPKLLMZ-OXQOHEQNSA-N 420.223 4.676 50 1 HJGF C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccccc1 96934040 TTWWMNDNYMMOHF-JYRKZWEQSA-N 418.367 4.808 50 1 HJGF Oc1cc(O)nc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 586966251 CFAJCGOYYFSKRQ-UHFFFAOYSA-N 400.354 4.714 50 1 HJGF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587236729 YKKRGOBOHRFSPM-RNFRBKRXSA-N 420.201 4.832 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(F)c1OC)CC2=O 587465568 IHUGNRLEAYQVRS-FQEVSTJZSA-N 423.278 4.748 50 1 HJGF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](Cl)c2ccccc2)CC1 28001667 BLIBIIGBEHUUAK-QFIPXVFZSA-N 414.977 4.891 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N3CCCC3=O)cc1)CC2=O 587462351 YPWJDXNBCIFPQV-QHCPKHFHSA-N 413.901 4.571 50 1 HJGF C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 95563806 RSXFFJLALFFBKB-WYMPLXKRSA-N 422.282 4.943 50 1 HJGF COc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587846294 QBKBSKBUCGBVIC-CWTRNNRKSA-N 421.335 4.589 50 1 HJGF COc1cccc2c1OC=C(C=O)[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199807 ZAOWMVDEUHBNES-IGKIAQTJSA-N 422.484 4.537 50 1 HJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)C(C)(C)C)c1 28645854 OWFBNJKVKYOXKS-UHFFFAOYSA-N 422.525 4.633 50 1 HJGF CC(=O)SCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370449 WYANYHBHYIBDAX-AZUAARDMSA-N 408.878 4.538 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)CC2=O 587458497 JXLCXLQXERWSON-DMZKTXOQSA-N 401.890 4.791 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O 587459762 PHUWEHLYACUDGS-XMHCIUCPSA-N 401.890 4.791 50 1 HJGF CC1(C)O[C@H]2[C@H](O1)[C@H](n1c(Cl)nc3cc(Cl)c(Cl)cc31)O[C@H]2CCl 253684012 JAGSEXUPXYZVOI-QNWHQSFQSA-N 412.100 4.653 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc3c(c1)OCCO3)CC2=O 587459191 GSLCLGJXQSLJEX-QFIPXVFZSA-N 402.874 4.606 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc([C@H](C)NC(C)=O)cc1)CC2=O 587459355 IDATWZCZDDXVTD-PSLXWICFSA-N 415.917 4.641 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587701545 UYMBFHGHCVFFLA-DGIBIBHMSA-N 419.681 4.819 50 1 HJGF Cc1cc(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N=C=S 587893755 BQXIYLLLEGPLNK-UHFFFAOYSA-N 407.297 4.886 50 1 HJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 299837992 PVDHFGSVZJMTCK-UHFFFAOYSA-N 417.465 4.501 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCC2 587543856 LXNYXSPRHPFKGA-XUZZJYLKSA-N 406.865 4.977 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Sc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857610214 BMXHGQFCZIIUOV-YBVSZUDCSA-N 421.515 4.895 50 1 HJGF C=C(CC(=O)O)[C@H](O)CC=C(C)C=C[C@@H](Cl)[C@](C)(Cl)C=CBr 2356530411 DATQSAPMCPQONA-IIAWOOMASA-N 412.151 4.784 50 1 HJGF C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587690184 ZZZDYLYRIQHTEV-RMDKCXRXSA-N 422.729 4.870 50 1 HJGF CC1=NN(c2cccc(Cl)c2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009763 KZVZKDRFTHKMJB-VQIMIIECSA-N 417.321 4.886 50 1 HJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCBr)cc1)CC2=O 587455803 GGNCUNSDMWEULB-LJQANCHMSA-N 405.288 4.825 50 1 HJGF O=C(Oc1ccc2c(c1Cl)CCCN2C(=O)C(Cl)Cl)c1cccs1 78420676 MXUGTQCBBSOOAL-UHFFFAOYSA-N 404.702 4.704 50 1 HJGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 586910089 LLZROORVZBRSOM-ZETCQYMHSA-N 423.201 4.941 50 1 HJGF C[C@H](Br)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322824 PCJSOBOCPSIRBF-QXJJSNKBSA-N 405.263 4.822 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)O2 587371534 GIQYOCKQLXXKJM-YTEVENLXSA-N 412.873 4.770 50 1 HJGF Oc1ccc(Cl)c(Nc2ncnc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 1857655257 VVZUXGYMJIQUBC-MRXNPFEDSA-N 400.269 4.909 50 1 HJGF CN(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)NN)cc1 66078553 OTMHJIRGTSGPGS-UHFFFAOYSA-N 410.521 4.545 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)cc(F)cc1F)([C@@H](C)Br)O2 587383086 XGUYPVVMAHDIIV-DYBLOJMWSA-N 414.221 4.639 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O 587414913 PQCRWOHXDNNUQN-RSXSOOJNSA-N 407.691 4.775 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2)N1 587673892 RFWQYKITKVSHEL-PIGZYNQJSA-N 413.128 4.761 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587459157 GGHCLVWKMAVYKD-PGRDOPGGSA-N 423.937 4.687 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CCBr)N1 587674176 UGFRXEYQDUYMCL-RSAASHCRSA-N 405.149 4.903 50 1 HJGF C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(C)cc1 53242704 OHIQUGXOQQLPBM-XYGWBWBKSA-N 415.453 4.656 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccsc2)N1 587852945 JSBUAUKEPDLPAO-PSLIRLAXSA-N 419.157 4.822 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c(C)c1C(=O)OCC)CC2=O 587462400 ZALFZIJGALHSKQ-JOCHJYFZSA-N 419.905 4.566 50 1 HJGF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497648 JOCCYTAYEHOOPY-XXBNENTESA-N 419.949 4.908 50 1 HJGF O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1)c1ccncc1 64573211 XMAYOPPCKPOZGJ-WAPCQROESA-N 410.521 4.670 50 1 HJGF COc1cc(CC/C=N/OC(=O)CCl)cc2cc(-c3ccc4c(c3)OCO4)oc12 66074454 ZHKYORMVBNYTFM-TXNBCWFRSA-N 415.829 4.538 50 1 HJGF COC(=O)c1ccc(CC#Cc2cc(Cl)ccc2OC)c(CBr)c1 587897941 AXWNYLVSCIBOHU-UHFFFAOYSA-N 407.691 4.624 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1)O2 587380125 AXCQBRXEXWVHTP-QGZVFWFLSA-N 414.221 4.852 50 1 HJGF NNC(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068932 BOXMILFFFPKYEE-IZZDOVSWSA-N 418.884 4.569 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O 587426636 FHNOWANPUFEDEG-UGSOOPFHSA-N 411.654 4.526 50 1 HJGF Cc1nc(C)c([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)o1 962702641 FVAHNIRWRSKXCA-SFHVURJKSA-N 407.333 4.643 50 1 HJGF O=C1/C(=C/c2ccccc2F)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccccc1F 1911583442 YLWDCXRKXRMTRE-KAVGSWPWSA-N 422.258 4.647 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 140522159 KVHGGKMBZYNYJO-RBPYFMKRSA-N 400.515 4.788 50 1 HJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2C[C@H]1Br 587460143 RSORQMYRVAZLOR-TZIWHRDSSA-N 417.299 4.534 50 1 HJGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587554880 FMWVMAFRFDZFEK-UGKGYDQZSA-N 414.816 4.636 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(NC(=O)OCCCCl)cc1 963257573 KVZBIWHEDJHLQN-OAQYLSRUSA-N 423.340 4.935 50 1 HJGF C[C@H](Br)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322822 PCJSOBOCPSIRBF-CKBSFLJSSA-N 405.263 4.822 50 1 HJGF CC(=O)SCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370458 WYANYHBHYIBDAX-ICSRJNTNSA-N 408.878 4.538 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CBr)CC2)N1 587674108 SVGJVXPILGLPHT-VHTNMKBUSA-N 405.149 4.903 50 1 HJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587723772 CEIUMDJXXRPFMN-MLCYQJTMSA-N 416.693 4.753 50 1 HJGF COc1cc2ncnc(Nc3ccc(N(CCCl)CCCl)cc3)c2cc1OC 96921924 LAZDLMOPQPCRRT-UHFFFAOYSA-N 421.328 4.675 50 1 HJGF CCOP(=O)(CCCCCCCCCCO[Si](C)(C)C(C)(C)C)OCC 238809163 LBQWVXHQFHRGIB-UHFFFAOYSA-N 408.636 7.395 50 1 HJGF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857622997 DCVGANSDLNPXGO-VWERRESFSA-N 406.950 4.627 50 1 HJGF CC#C[C@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-] 5808667 GFTMITPUFPQSRQ-ZOBUZTSGSA-N 423.254 4.520 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587458977 GGHCLVWKMAVYKD-AVRDEDQJSA-N 423.937 4.687 50 1 HJGF N#CSC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569282 PUMLRUZYOICELL-DENIHFKCSA-N 407.422 4.603 50 1 HJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1 587648274 AYYWFRXRQZCBDH-UHFFFAOYSA-N 412.736 4.782 50 1 HJGF Cc1c(F)ccc2c1[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)NCC2 962297126 IERRNHIPPVPZAW-KXBFYZLASA-N 416.256 4.919 50 1 HJGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cccs1 963288528 CSZOSVHAPMQVLJ-HNNXBMFYSA-N 401.167 4.637 50 1 HJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc(S(F)(F)(F)(F)F)ccc2O)N1 962923226 QGTCLUNBWAFTAH-ZFWWWQNUSA-N 413.339 4.877 50 1 HJGF CC1(C)CC(=O)Nc2ccc([C@]3(CCl)c4ccc(F)cc4C[C@H]4CCCN43)cc21 963096464 DTCOLPCBIPPVTF-HOYKHHGWSA-N 412.936 4.948 50 1 HJGF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)C[C@@H]1OO 2356411506 RCNVBRCNVUOFOJ-DRRHGHKVSA-N 400.515 4.623 50 1 HJGF O=C(Oc1ccc(N(CCCl)CCCl)cc1)c1cccc(Br)c1 95719648 SUZZKNCPUCQBBP-UHFFFAOYSA-N 417.130 4.952 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c(C)c1C(=O)OCC)CC2=O 587462404 ZALFZIJGALHSKQ-QFIPXVFZSA-N 419.905 4.566 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCC1 587538605 PYBKYWIBEFBANW-FXAWDEMLSA-N 403.272 4.678 50 1 HJGF Cc1ccccc1C(=O)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(C)(C)C 29037236 IEIHJGTYXKPYKJ-UHFFFAOYSA-N 400.906 4.559 50 1 HJGF Cc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2nc3ccccc3s2)o1 33294971 QRIGMIDAYWJCJY-UUYOSTAYSA-N 423.519 4.878 50 1 HJGF CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc21 95578343 ANRGGDLWBIOPIV-UHFFFAOYSA-N 409.555 4.549 50 1 HJGF COC(=O)CCCCCCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 95809797 AHXAGYYWRUTEQT-YZSQISJMSA-N 419.525 4.653 50 1 HJGF CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376396 XKQUEPIJIGUXHZ-UYAOXDASSA-N 404.304 4.620 50 1 HJGF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)N(C)[C@H](C)C2 962633453 TXJVPXGZPOYARQ-VFDKELDYSA-N 418.965 4.599 50 1 HJGF Cc1ccc[n+]([C@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)c1 95594930 JMQAGOWKJJHZCM-OAQYLSRUSA-N 409.494 4.627 50 1 HJGF CC1(C)[C@H]2CC=C(/C=N\NC(=O)CCCCCCC(=O)Nc3ccccc3O)[C@@H]1C2 95808881 RPXSCCWVMAQCSG-ACZUBQCPSA-N 411.546 4.766 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]([C@H](C)Br)([C@@H](C)Br)CC2=O 587451064 HTIPKNIGPVHIOY-WRBXQSRGSA-N 420.141 4.616 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 587325026 BNXSIORUPRCFHR-NZQKXSOJSA-N 422.843 4.901 50 1 HJGF COC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496512 DMQOGSILYIIKII-PSLXWICFSA-N 415.917 4.785 50 1 HJGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@]2(O)OO1 2356736130 UKQVHATZFXVPJW-QVGHQYEOSA-N 402.531 4.877 50 1 HJGF O=C1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)cc2N1 587504150 GBKFAQPIUOLDPA-QHCPKHFHSA-N 413.876 4.689 50 1 HJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587723769 CEIUMDJXXRPFMN-MGNBDDOMSA-N 416.693 4.753 50 1 HJGF Fc1cc(F)c([C@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cc1F 963112916 XWCPCRRJROOVAC-HXPMCKFVSA-N 414.240 4.902 50 1 HJGF COc1cc([C@@H]2C(C#N)=COc3c2ccc2[nH]ccc32)cc(Br)c1OC 38559280 AANXHYPCMZAPKU-GOSISDBHSA-N 411.255 4.879 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106638 AAAIJRIEGUHNCI-MOAHKDJASA-N 420.521 4.983 50 1 HJGF O=C1C[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1 587498554 OIYXFZUEXYQESX-XMMPIXPASA-N 409.913 4.792 50 1 HJGF Oc1cccc([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)c1 962708940 PZAQQTMULKOOBV-IBGZPJMESA-N 404.329 4.744 50 1 HJGF N#C/C(C(=O)Nc1ccc(Br)cc1)=C(/O)c1ccc(Br)cc1 34493725 YAGUQGYYNHOMQY-PFONDFGASA-N 422.076 4.643 50 1 HJGF CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccccc1)N1CCCCC1 49032074 FPJLOOMYTACRBH-PZVZJPBASA-N 417.513 4.758 50 1 HJGF O=C1C[C@](CBr)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587500929 VKIODSUHPVNIOW-FQEVSTJZSA-N 416.271 4.729 50 1 HJGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533566 XEYLTOKMJZCFQP-WHEQGISXSA-N 417.958 4.751 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587679243 FRGPDXQHDOXDHZ-DGIBIBHMSA-N 421.697 4.613 50 1 HJGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2c(Br)cccc12 84652768 BZUFGLWTDUKHDO-OAQYLSRUSA-N 420.310 4.886 50 1 HJGF COC(=O)c1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)cc1 299863089 KORVFZRNICXDME-ZVHZXABRSA-N 415.474 4.514 50 1 HJGF COc1ccc2c(c1)[C@@H](c1ccccc1OCCBr)N(C(C)C)CC2 962095469 YWORWXJVINWUSH-OAQYLSRUSA-N 404.348 4.825 50 1 HJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 1772643923 NUULJRBDTRBNRE-ZRZAMGCNSA-N 414.465 4.547 50 1 HJGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356773305 WMPMZFMYRMBUAX-LGZVPWNVSA-N 407.649 4.505 50 1 HJGF CO[C@@]1(CCCC#C/C=C/CCCCCCCC(C)=O)CC[C@@H](CC(=O)O)OO1 85772486 PBMTYMCJWHLVHH-GWOOBFQVSA-N 408.535 4.964 50 1 HJGF Cc1cc(C)c[n+]([C@@H](C=C(C#N)C#N)C(=O)N2c3ccccc3Sc3ccccc32)c1 95596482 XHBWDRRIQAKKCL-QFIPXVFZSA-N 423.521 4.935 50 1 HJGF C=C(/C(Cl)=C/Br)[C@H](Cl)C[C@@H](O)[C@@](C)(Br)CCl 238776167 JLMLCMSOCWJUQU-YQFABOOHSA-N 415.380 4.769 50 1 HJGF C=CCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323775 UFMZKELGIIFTTR-AZUAARDMSA-N 405.263 4.990 50 1 HJGF Cc1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610826 YCBFJWIFONAOPC-NZQKXSOJSA-N 403.459 4.772 50 1 HJGF O=C(N/N=C/c1cccc(OCc2ccccc2C(F)(F)F)c1)c1cccc(O)c1 653890288 QELZFXZSNXRIBX-LGJNPRDNSA-N 414.383 4.754 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@]2(C)c1cccc(NC(=O)C(C)(C)CCl)c1 963256482 CMRLWZFTSMIEAQ-JOCHJYFZSA-N 421.368 4.961 50 1 HJGF Clc1ccc(CN(Cc2cccnc2)C2=NC[C@H](CBr)S2)cc1 653712773 GCAZLRVTJGCSNH-INIZCTEOSA-N 410.768 4.604 50 1 HJGF Cc1ccsc1C=NNC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1 472791589 NBRCKRQTRLONFI-UHFFFAOYSA-N 403.935 4.536 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195243204 KVHGGKMBZYNYJO-HQPDMGFBSA-N 400.515 4.788 50 1 HJGF FC(F)(F)Oc1cc2nc(CCCCBr)[nH]c2cc1Br 586972730 ZZMAFPPQEIYWFZ-UHFFFAOYSA-N 416.035 4.942 50 1 HJGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2CC4)[C@@H](Br)C1 587209238 KZTQQUHVFLDFTG-WFASDCNBSA-N 403.320 4.609 50 1 HJGF N#CC1=COc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498614 OVAWTUKGFIKSJE-QFIPXVFZSA-N 422.278 4.988 50 1 HJGF O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)N/N=C/c1ccc([N+](=O)[O-])o1 653887864 YXEGYTUHTPDFNH-RLMIWOPVSA-N 407.470 4.566 50 1 HJGF CC(=O)Nc1cccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)c1 1654939 OOTFLEGSOQRRHL-FVNWOWOISA-N 419.912 4.763 50 1 HJGF CNC(=O)[C@H]1C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587236730 YKKRGOBOHRFSPM-RQJHMYQMSA-N 420.201 4.832 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)CC2=O 587461965 MENGABDHFBVNQG-NSFRLNINSA-N 410.901 4.828 50 1 HJGF C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857535376 HBIZMZQMZDYMKC-KRWDZBQOSA-N 422.375 4.984 50 1 HJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587324098 OXTJMPUIANTWMS-NSHGMRRFSA-N 405.263 4.967 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc2cc[nH]c12 587544580 OMVVHUWMDWASEK-WMZHIEFXSA-N 405.837 4.969 50 1 HJGF CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1OCC 1857753424 ARBYNNKFHZTRQR-GTKSYNCLSA-N 406.404 4.666 50 1 HJGF CC(C)=CC(=O)O[C@@H]1C=C[C@](C)(CC=CC(C)(C)O)CC=C(C=O)CC[C@H]2O[C@]12C 2356461249 ZCZKJKIOPWIFME-OVSMBABESA-N 416.558 4.611 50 1 HJGF C=C(CC(=O)O)[C@H](O)C/C=C(C)/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br 13379411 DATQSAPMCPQONA-GHJVBSPMSA-N 412.151 4.784 50 1 HJGF COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](Br)c1ccccc1F)[C@@H](C2)C3=O 587425812 HVPDEFWFDWALMC-JHVJFLLYSA-N 417.274 4.867 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)CC2=O 587459784 PQNLUKXUMLQTKH-DMZKTXOQSA-N 401.890 4.791 50 1 HJGF N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551738 JDAGLDNGRYSCJB-REWPJTCUSA-N 417.804 4.703 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O 587421764 ANYGGGOWDTVORY-SGTLLEGYSA-N 411.654 4.526 50 1 HJGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496513 DMQOGSILYIIKII-QKFKETGDSA-N 415.917 4.785 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCCl)cc2)N1 587681763 ANGUJZOIMYHTBI-HXPMCKFVSA-N 411.746 4.887 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)ccc2O)N1 587689101 PLUXRKCHMJVUMW-XYZCENFISA-N 419.121 4.964 50 1 HJGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Br)c2[nH]1 586973010 DXQKWHSUCCGXPB-QMMMGPOBSA-N 413.088 4.906 50 1 HJGF CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1Cl 587328144 IVDATBQCBATACP-HROGELHOSA-N 404.865 4.824 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)ccc2c1CC(C)(C)O2 103205426 YJKKKPMIRSINTA-UHFFFAOYSA-N 414.933 4.948 50 1 HJGF O=C1[C@@H](Cl)[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 96939291 JDQSCBJBVGOGLG-UONOGXRCSA-N 415.512 4.907 50 1 HJGF O=C(CCC[C@@H]1OO[C@@H]2CCC[C@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 100836687 VCLJIWZABVPVGH-YPAWHYETSA-N 420.408 4.934 50 1 HJGF COc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542368 GVZYWNMLXDSVOC-NFBKMPQASA-N 410.853 4.887 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccsc2)N1 587852944 JSBUAUKEPDLPAO-BJOHPYRUSA-N 419.157 4.822 50 1 HJGF COc1cc(OO)cc2c1C(=O)C[C@H](c1ccccc1OC(=O)Nc1ccccc1)O2 98085461 PCPKFCJVHGQESY-LJQANCHMSA-N 421.405 4.864 50 1 HJGF CC(C)(C)N(NC(=O)c1cccc(Br)c1)C(=O)c1ccccc1Cl 103179464 DIXZEXNHMDGSHS-UHFFFAOYSA-N 409.711 4.688 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COC(=O)Cl)cc1 587883240 BWCQRIKUCUVBFX-UHFFFAOYSA-N 410.684 4.579 50 1 HJGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccc(OCCC3OCCO3)cc12 1857773356 AXELPAWKKFMGRJ-XDHOZWIPSA-N 411.461 4.922 50 1 HJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688396 MCIPROWZXKGGCB-DPZKZMLUSA-N 420.750 4.534 50 1 HJGF Cc1cc2c(cc1F)[C@@](CBr)(c1cccc(C(F)(F)F)c1)NCC2 962293874 AONORNHNTRZKCS-QGZVFWFLSA-N 402.229 4.937 50 1 HJGF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008903 RIQCOFDNYRMCPF-LLVKDONJSA-N 404.706 4.536 50 1 HJGF CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@](C)(O)C=CC(=O)C(C=O)=CC1 1857628363 IBABIWZUONNRBB-PZUNEJSGSA-N 414.542 4.579 50 1 HJGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCC1 13675503 MDXCXXDYIGJXGG-LJQANCHMSA-N 412.921 4.577 50 1 HJGF Cc1ccc(-c2cc(N)c(C(=O)NN=Cc3cccc(Br)c3)s2)cc1 958021753 AKKCKMJRBFMZHQ-UHFFFAOYSA-N 414.328 4.832 50 1 HJGF CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009762 KZVZKDRFTHKMJB-APWZRJJASA-N 417.321 4.886 50 1 HJGF C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 43393423 BHVPRHLTQSOLEV-NSQNTRMNSA-N 408.498 4.756 50 1 HJGF [C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261184023 WVFZEGXYWHBNDW-LJQANCHMSA-N 417.419 4.898 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(F)cc2)N1 587735442 PUHCRQKUZIVEDT-ZMZPIMSZSA-N 400.694 4.938 50 1 HJGF C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1cccc(C(F)(F)F)c1 73166115 LJHQWUCACXWUMT-GJSJWPQCSA-N 424.220 4.647 50 1 HJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CSC#N)c1cccc2ccccc12 963632009 DODWJRDMIJOUON-VOIUYBSRSA-N 404.535 4.849 50 1 HJGF CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2CC4)[C@@H](Br)C1 587209235 KZTQQUHVFLDFTG-DOMZBBRYSA-N 403.320 4.609 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C#N)s1)CC2=O 587493332 FXTWKGACAPPTFT-SFHVURJKSA-N 406.301 4.533 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccsc2)N1 587852381 GALBZBDIMNMUDA-VFZGTOFNSA-N 419.157 4.822 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2CCBr 587539783 YFAXKNWHGYGJCQ-QKMWGZLOSA-N 403.272 4.678 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(=O)Cl)c(F)c1 587894491 MFPPYJRJGJYEFP-UHFFFAOYSA-N 414.647 4.581 50 1 HJGF Cc1cc(Cl)ccc1OC(C)(C)C(=O)N/N=C/c1ccccc1OC(F)(F)F 1857559684 OVVMKQMYSFIIJK-BHGWPJFGSA-N 414.811 4.855 50 1 HJGF CC#C[C@H]1[C@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-] 5808663 GFTMITPUFPQSRQ-UXLLHSPISA-N 423.254 4.520 50 1 HJGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1 40685152 BJMUBALPANLULR-QZJMNUOMSA-N 406.507 4.636 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCOC)c1C)CC2=O 587461688 SBQUWWZJJYZHOQ-QFIPXVFZSA-N 405.922 4.509 50 1 HJGF O=C(CCl)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586985508 IZCJQFVBUUBCQZ-UHFFFAOYSA-N 414.848 4.996 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)CC2=O 587460083 RJWQGYZNUMOXRS-MCMMXHMISA-N 401.890 4.791 50 1 HJGF C/C(=N\NC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O 261075023 ATFNCVWMHFTCOK-UFWORHAWSA-N 402.075 4.616 50 1 HJGF N#CC1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337995 SPGVWLXTMKVODP-VWNXMTODSA-N 417.367 4.725 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CCl)ccc21 587374607 IKAUIFNCXXVNHT-DEOSSOPVSA-N 403.865 4.769 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N=[N+]=[N-])cc1)[C@@H](C2)C3=O 587412680 JRUZAVSYHCYOQR-KSSFIOAISA-N 400.232 4.675 50 1 HJGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496510 DMQOGSILYIIKII-LFVRLGFBSA-N 415.917 4.785 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccs1 587614423 SLAXZJNSTUXRCS-APWZRJJASA-N 417.280 4.706 50 1 HJGF CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1OO 238782514 RCNVBRCNVUOFOJ-WPXXHNCHSA-N 400.515 4.623 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587334247 LUWRCSNLHBKDBE-KNQAVFIVSA-N 414.791 4.690 50 1 HJGF CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 103228439 UWCYLLDVBVJBLQ-YETRDSHKSA-N 420.515 4.803 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O 587426633 FHNOWANPUFEDEG-SCLBCKFNSA-N 411.654 4.526 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2F)N1 587730793 YGGMPRVVBNEDDL-PWJLMRLQSA-N 422.100 4.792 50 1 HJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@](O)(C#CCCCCl)[C@@]3(C)CC[C@H]12 26003049 ZKYICTSKRHTRLQ-LMWRQSBWSA-N 406.010 4.603 50 1 HJGF O=C(O)c1cccc2c1CCN[C@@]2(CCCCCl)c1ccccc1Br 963131725 NXKZNWCQRIFIJW-HXUWFJFHSA-N 422.750 4.946 50 1 HJGF CSc1nc(Nc2cccc(O)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 299869654 VADPBYPWJLBNMX-QGZVFWFLSA-N 411.918 4.978 50 1 HJGF CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587541247 ABGCRYIHCVYLTR-NFBKMPQASA-N 411.885 4.926 50 1 HJGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=CC[C@H](Br)[C@H]1O2 2356450045 GTAXFXIOLOZIPX-XNVLFHJESA-N 424.560 4.827 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc2cc[nH]c12 587544579 OMVVHUWMDWASEK-CVDCTZTESA-N 405.837 4.969 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccs1 587614425 SLAXZJNSTUXRCS-QFBILLFUSA-N 417.280 4.706 50 1 HJGF CC1=C2CCc3c(-c4ccccc4)nc(-c4ccncc4)nc3[C@]2(C)C=C(C#N)C1=O 1911570694 LBBFWHOPTZFAHE-AREMUKBSSA-N 404.473 4.759 50 1 HJGF C=C(C=O)CC[C@@H]1C(=C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H](C(=O)OC)CCC[C@@]12C 2356784105 NGHSDDKIMCCYAA-IOCWQACJSA-N 424.537 4.919 50 1 HJGF CCN(c1ccc(-c2csc(/C(C#N)=C/c3cccs3)n2)cc1)S(C)(=O)=O 587923040 LAQQRRQIYSKVPL-RVDMUPIBSA-N 415.565 4.722 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)c(Cl)cc1F)O2 587382135 OMKVXDIHVMYJIC-GOSISDBHSA-N 412.686 4.934 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(=O)CC)cc1)CC2=O 587461162 PZJHQRGZNKPMRR-JOCHJYFZSA-N 401.890 4.793 50 1 HJGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)NCCc2cccc(-c3ccccc3)c21 962659334 BTLHLQSVWHGBMQ-LMKMVOKYSA-N 418.924 4.701 50 1 HJGF CC(=CCCC(C=O)=CC[C@@H](O)C1=C[C@H](O)OC1=O)CCC1=C(C)CCCC1(C)C 2356795150 IJTISNDTHPBRLA-DHIUTWEWSA-N 416.558 4.698 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(CCl)c(F)c1 587892559 TVCWBQIFYOITQB-UHFFFAOYSA-N 402.655 4.721 50 1 HJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](C=C[C@H](Br)CC)O1 2356422981 ZKQZHWSHCZDGAY-FQKPHLNHSA-N 410.577 4.824 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 38152962 WTBJPIWSTYGQOQ-CARSICDMSA-N 404.478 4.537 50 1 HJGF N#C/C(=C(\O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1 102817631 ZGUQIEVCRPVAOV-RELWKKBWSA-N 420.513 4.564 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@]1(C)CBr 962938888 AFQYZGUDQNQOJO-HNKZJYENSA-N 415.375 4.688 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)O2 587371532 GIQYOCKQLXXKJM-IPQOISQHSA-N 412.873 4.770 50 1 HJGF N#CSC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569286 PUMLRUZYOICELL-UGKGYDQZSA-N 407.422 4.603 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)cc1Cl 587878511 IGEILUSVXLSRBI-UHFFFAOYSA-N 415.103 4.736 50 1 HJGF O=C(CCC[C@H]1OO[C@@H]2CCC[C@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 38158838 VCLJIWZABVPVGH-BHIFYINESA-N 420.408 4.934 50 1 HJGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CCl)ccc41)[C@@H](C2)C3=O 587421462 MIAXTRUAOJMDDZ-CPJSRVTESA-N 416.860 4.670 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1Cc3ccccc31)CC2=O 587457354 XVVBQNUROUXMDE-LAUBAEHRSA-N 401.300 4.784 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1 587538063 MWCDZPCZGWJIJD-WIYYLYMNSA-N 411.251 4.644 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1 587686320 CKWCVHKAFFHUHK-BFKGZMGPSA-N 422.729 4.870 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cc(C)n(-c2cc(C)on2)c1C 963270583 PRHZFRRPHORYMP-NRFANRHFSA-N 420.340 4.681 50 1 HJGF Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccc(O)c(O)c3)cc2)c1 3232934 NPRJJAFUALVABT-VULFUBBASA-N 418.493 4.873 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)ccc2c1C[C@H](C)O2 103203126 AGXTYPWWTNQHPF-ZDUSSCGKSA-N 400.906 4.558 50 1 HJGF C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1 49877373 RGUWFVOQMZJHAO-HUUCEWRRSA-N 423.340 4.627 50 1 HJGF COc1ccc([C@@H]2[C@@H](C)C(=O)C[C@@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1 169352138 PYGXSBPWUVWILT-FPSMJMQUSA-N 406.309 4.807 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O 587416651 BVNJODWCENWDRC-RDPSFJRHSA-N 407.897 4.984 50 1 HJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccc(CO)cc1 963205359 OKABNLPWHLOXEE-RPBOFIJWSA-N 402.925 4.784 50 1 HJGF N#CC1=C(N)OC2=C(CNc3c2cc(Cl)cc3[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 1772622450 AYZQYLIPKFAJCV-MRXNPFEDSA-N 415.236 4.546 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)CCl)c2)N1 587847160 JLKIHFPEKLKTMV-VVVCHXIZSA-N 416.743 4.869 50 1 HJGF CC(C)=CCC/C(C)=C/COc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1 66123694 LKXJZLZVZJVMMK-NSWHACQGSA-N 419.525 4.628 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@@H](C)Br)[C@@H](C2)C3=O 587414028 KBPLKXXOBVEKDX-OCKUYBSPSA-N 413.311 4.610 50 1 HJGF CN1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2NC1=O 587499556 VJUGDKVGVNDZNT-HSZRJFAPSA-N 410.901 4.642 50 1 HJGF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356756972 HYXUDBBVUZEPTI-FWFZCRFUSA-N 411.380 4.903 50 1 HJGF CCCCN(CCCC)Cc1cccc(/C=N\NC(=O)c2ccncc2)c1OCC 103223912 URVUXOSIBRHFJC-ITYLOYPMSA-N 410.562 4.646 50 1 HJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccc(CO)cc1 963205351 OKABNLPWHLOXEE-JWQCQUIFSA-N 402.925 4.784 50 1 HJGF N#C/C(=C(/c1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1 1772602055 AYHUFFFAHBVFBW-CYYJNZCTSA-N 410.517 4.880 50 1 HJGF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)CCCCCl 1857590621 LJJRMWULISLLCN-UHFFFAOYSA-N 414.889 4.917 50 1 HJGF CC(C)=CC(=O)O[C@@H]1C=C[C@](C)(CC=CC(C)(C)O)CC=C(C=O)CC[C@@H]2O[C@@]21C 2356461250 ZCZKJKIOPWIFME-RRJCBXKSSA-N 416.558 4.611 50 1 HJGF C=CC[C@H](O)c1ccc(N2CC[C@@H](Cl)[C@H]2CCCc2ccc(C(=O)O)o2)cc1 2356705050 RWAMGJIPHJPREV-AQNXPRMDSA-N 403.906 4.796 50 1 HJGF CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@]1(C2)Cc2cc(CC)c([C@H](C)O)cc2C1 6003240 LOHWDPFXGRHSDR-GPTFCCAJSA-N 415.533 4.656 50 1 HJGF CC1(C)OC2=C(C[C@@H]1Br)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 169444494 GRWHUBSVNGXYDV-BMCXAMSBSA-N 411.299 4.759 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(C)=O)c1C)([C@H](C)Cl)CC2=O 587459184 NBFWLANBHUFHBY-FPTDNZKUSA-N 403.906 4.980 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Br 587541851 DMHCIOWMGYDOQD-UWVAXJGDSA-N 403.272 4.820 50 1 HJGF Cc1cc(C(=O)CCl)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878359 ZDWQQVARGSRXFQ-UHFFFAOYSA-N 422.739 4.742 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3ccccc3cc2[nH]1 587009754 QSXMGQHYJWXTTQ-NRFANRHFSA-N 402.885 4.836 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCCl)cc2)N1 587686772 XIXFVVOPSJVQAF-HXPMCKFVSA-N 411.746 4.887 50 1 HJGF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@H](O)C[C@@H]1OO 2356411508 RCNVBRCNVUOFOJ-XGVYZQAHSA-N 400.515 4.623 50 1 HJGF S=C(SSC(=S)N1CCOc2ccccc21)N1CCOc2ccccc21 1772609530 QXUQHYHEDWWQLM-UHFFFAOYSA-N 420.606 4.736 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@H]1Br 587460055 RCVJEPQSFMVGHC-FPOVZHCZSA-N 401.300 4.915 50 1 HJGF CCn1c2ccccc2c2cc(/C=N/NC(=O)CCCCCCC(=O)OC)ccc21 95809798 PHDBMEAKSWSXNW-KOEQRZSOSA-N 407.514 4.778 50 1 HJGF CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 103249363 YRZDBTFSZCDLPO-HNNXBMFYSA-N 415.224 4.620 50 1 HJGF BrCCCCc1nc2c(Br)ccc(Br)c2[nH]1 586972634 XZTRCRBMGCEXSW-UHFFFAOYSA-N 410.935 4.806 50 1 HJGF COc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587846295 QBKBSKBUCGBVIC-HXPMCKFVSA-N 421.335 4.589 50 1 HJGF COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NCc1ccccc1 13675427 JPKVNXGYCSFLGI-FQEVSTJZSA-N 420.900 4.810 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587413380 NLAOIMYJOULHPX-UWJYYQICSA-N 401.300 4.856 50 1 HJGF CO[C@@]1(CCCC#CC=CCCCCCCCC(C)=O)CC[C@H](CC(=O)O)OO1 2356462377 PBMTYMCJWHLVHH-FYYLOGMGSA-N 408.535 4.964 50 1 HJGF C[C@H](c1cccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)c1)N(C)C 35997367 ZRDZIXJPHJDNOM-YLJYHZDGSA-N 410.649 4.908 50 1 HJGF C[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@](O)(c2ccccc2)CC12CC2 64645713 FNLHLKPQZWPTTK-LVXARBLLSA-N 417.489 4.678 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1oc4ccccc4c1C)[C@@H](C2)C3=O 587411515 CUUIBHBNMCJPBX-YCRPNKLZSA-N 413.267 4.788 50 1 HJGF C[C@H]1CC[C@@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169323021 KVHGGKMBZYNYJO-CKRMXFAYSA-N 400.515 4.788 50 1 HJGF COC(=O)[C@H](CCCCCC(Cl)Cl)[C@H](CCCC#CC=CCl)NC(C)=O 2356700292 GRLUPGAXRLOURI-SJORKVTESA-N 424.796 4.961 50 1 HJGF CCCCCOc1ccc([C@H](CCl)NC(=O)c2c(Cl)c(CC)nn2C)cc1 103170584 HXZNWPXLUFJFAK-KRWDZBQOSA-N 412.361 4.915 50 1 HJGF COc1ccc2c(c1)C[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498507 OCUSJDFDKYYVGA-RBBKRZOGSA-N 413.311 4.754 50 1 HJGF CCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCC1 13675482 VHYRCGIELIZFFK-IBGZPJMESA-N 412.921 4.578 50 1 HJGF COc1ccc2c(c1)C[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498503 OCUSJDFDKYYVGA-IRLDBZIGSA-N 413.311 4.754 50 1 HJGF N#CSC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567442 APDWDYJCXGZUJC-KNQAVFIVSA-N 407.422 4.603 50 1 HJGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)c2cccc(Br)c2CCN1C 963279336 HKXNKCRRLXENKE-FKIZINRSSA-N 423.782 4.955 50 1 HJGF CC[C@@H](C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1 13675557 UDDYZKUDMQCGFA-AUUYWEPGSA-N 412.921 4.941 50 1 HJGF Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 98082102 SGHNNZZOCOOHOF-INIZCTEOSA-N 414.362 4.557 50 1 HJGF C/C(CCC(=O)Nc1cccc(Cl)c1)=N\NC(=O)c1ccc(-n2cccc2)cc1 1772627061 CPCLILRIKYKUOM-PCLIKHOPSA-N 408.889 4.655 50 1 HJGF CC(=O)[C@]1(OC(=O)[C@H](F)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356340072 GTIGEMPITXNVCC-NZKLXDHZSA-N 424.940 4.924 50 1 HJGF N#CSC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569284 PUMLRUZYOICELL-SIKLNZKXSA-N 407.422 4.603 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@@H](C)Br)[C@@H](C2)C3=O 587414029 KBPLKXXOBVEKDX-RZVZBCHOSA-N 413.311 4.610 50 1 HJGF O=C1C[C@](CBr)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587500166 RDCSYNWVESHPRV-FQEVSTJZSA-N 416.271 4.729 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)cc2F)N1 587725872 SIWIGXDEUZUHPR-HUTHGQBESA-N 404.657 4.883 50 1 HJGF CC(C)c1ncc(/C=C\C#N)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 40556559 UEADQFVQBULRLR-ARJAWSKDSA-N 403.326 4.845 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)CCl)c2)N1 587849278 SACZZHJTSQEDEO-HUTHGQBESA-N 416.743 4.869 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=CC(=O)O[C@H]1O)CC[C@H]1C(C)=CCCC1(C)C 2356581476 XJKDZNIKFFJKMU-WPFOTENUSA-N 416.558 4.554 50 1 HJGF CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@]1(C2)Cc2cc(CC)c([C@@H](C)O)cc2C1 6003235 LOHWDPFXGRHSDR-VTAORGFRSA-N 415.533 4.656 50 1 HJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc3ccccc3s2)cc1 299872007 ZQCZQGDYDGJSKK-LPYMAVHISA-N 402.435 4.635 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(F)cc2)N1 587734949 OFERWAQJCSICKF-ADLMAVQZSA-N 400.694 4.938 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@]1(C)CBr 962938891 AFQYZGUDQNQOJO-PFMSJDGRSA-N 415.375 4.688 50 1 HJGF Cc1sc2c(c1C)CCN[C@@H]2[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)C[C@@H]21 963025765 PBPYFETZYGYIAT-OCBLOMHFSA-N 421.679 4.894 50 1 HJGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)[C@H](O)[C@@]45C 2356287834 QGLGJVXUKKCOIZ-MKGUOCHOSA-N 400.559 4.652 50 1 HJGF Cc1cc(Cl)cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009608 NHJPBRXAVBJHCR-KRWDZBQOSA-N 401.297 4.645 50 1 HJGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587687725 HLJKHVJXJKAPQE-BUXKBTBVSA-N 412.730 4.927 50 1 HJGF Cc1cc([C@]2(CCl)c3nn(C)cc3CCN2C)c(C)n1-c1cccc(C(C)C)c1 963955360 PGNISIJNMZJOSK-XMMPIXPASA-N 410.993 4.921 50 1 HJGF O=C(NC(=O)c1csnn1)OCCCCCCCCCCCCBr 38319831 RFCUDHJWCCHJDY-UHFFFAOYSA-N 420.373 4.700 50 1 HJGF O=C(N/N=C/c1ccccc1Cl)c1cc(Cl)ccc1C(=O)NC1CCCCC1 103204186 NMWYGVCPXIKEME-ZMOGYAJESA-N 418.324 4.820 50 1 HJGF C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568855 ODTGPOPSSPNBCJ-OJTBMNRISA-N 404.393 4.620 50 1 HJGF Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)c2cccc(Br)c2CCN1C 963279339 HKXNKCRRLXENKE-YUNKPMOVSA-N 423.782 4.955 50 1 HJGF COc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542374 GVZYWNMLXDSVOC-REWPJTCUSA-N 410.853 4.887 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2F)N1 587725372 CVWSBYVUBIRIBW-BCTVWOGZSA-N 422.100 4.792 50 1 HJGF CCCC(CCC)C(=O)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 96907596 YPBOAKVTCASHRJ-RGFASOFISA-N 410.551 4.954 50 1 HJGF C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587690183 ZZZDYLYRIQHTEV-FDMGOTLNSA-N 422.729 4.870 50 1 HJGF COc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc1 82052528 NDGWVHDVDVAUJV-GOSISDBHSA-N 405.361 4.564 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1c(F)cccc1F)O2 587382684 TXEFHLSSXSPHRR-IEBWSBKVSA-N 410.258 4.586 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)COC2 587542184 FXQQSLSTJKZGIX-REWPJTCUSA-N 408.837 4.518 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(/C=C\C=O)c2F)N1 587725368 CVAGHLVAYGBBJS-HOGQIHJLSA-N 406.270 4.737 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(F)cc(F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43380069 KMYPNDNHYLZTGA-RMIJPSTDSA-N 422.468 4.676 50 1 HJGF CN(C)C(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587197375 NWFRVKJLNCCREG-UHFFFAOYSA-N 408.190 4.614 50 1 HJGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)NCCc2cc(C)c(F)cc21 962377393 RINOENPCHCIUFS-IBGZPJMESA-N 412.730 4.889 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(NC(=O)C3CC3)cc2)N1 962945867 GZASPVOFEHIHGR-BXKMTCNYSA-N 407.945 4.923 50 1 HJGF O=C(NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O 2356861868 QBMKPJPRYHDGHU-UHFFFAOYSA-N 411.417 4.636 50 1 HJGF Cc1ccc(/C=C(\C#N)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 587187323 DSWUOJBMLLNBJD-IZZDOVSWSA-N 420.641 4.589 50 1 HJGF O=C(Cl)CCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587274444 VUHUECDICQQCOS-UHFFFAOYSA-N 416.699 4.761 50 1 HJGF CN(CCCl)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587545584 RRGJRHKTXYJQSJ-OFNKIYASSA-N 409.869 4.770 50 1 HJGF COc1cc(-c2cc3cc(CBr)cc(C)c3oc2=O)cc(OC)c1OC 299828979 SQNGUESWUYPNCR-UHFFFAOYSA-N 419.271 4.689 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1F 587568392 LIMPRYXOPKLLMZ-OXJNMPFZSA-N 420.223 4.676 50 1 HJGF O=C(CCC[C@@H]1OO[C@@H]2CCC[C@@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 195178796 VCLJIWZABVPVGH-VSKRKVRLSA-N 420.408 4.934 50 1 HJGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587413050 MCLYVLZVIHTDRX-LAUBAEHRSA-N 417.299 4.520 50 1 HJGF COc1ccc([C@@]2(CCl)NCCc3c2sc(C)c3C)cc1Br 963010334 NJXUQRUJQVHEEV-QGZVFWFLSA-N 400.769 4.764 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(F)c1F)CC2=O 587467406 RJTNBAGWLOQZPZ-IBGZPJMESA-N 411.242 4.879 50 1 HJGF COc1ccc([C@@]2(C(F)(F)F)NC(=O)C(C#N)=C(c3ccc(C)cc3)C2(F)F)cc1 1772646591 DTRXAMPOOYLGGS-LJQANCHMSA-N 422.353 4.504 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587459217 GYCUSJCLFMWJPF-QFIPXVFZSA-N 419.905 4.566 50 1 HJGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1772608458 XGOHGTQGDHBCGM-ZMOGYAJESA-N 415.280 4.529 50 1 HJGF CC(=O)OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 44181866 FNZTUGDYJXXGEG-UHFFFAOYSA-N 421.430 4.680 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1[nH]c(C)c(C(C)=O)c1CC)CC2=O 587461212 RAONPYOPJPLFID-QFIPXVFZSA-N 403.906 4.846 50 1 HJGF CC(C)c1ncc(/C=C/C#N)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 36184775 UEADQFVQBULRLR-ONEGZZNKSA-N 403.326 4.845 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)CC2=O 587460566 UJWRIDVGSPXYOX-YTEVENLXSA-N 403.906 4.980 50 1 HJGF Cc1cccc(-n2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)c1 587499572 VVAIAZSJUWTOEY-HSZRJFAPSA-N 407.901 4.554 50 1 HJGF C=C(CC(=O)O)[C@H](O)CC=C(C)C=C[C@H](Cl)[C@@](C)(Cl)C=CBr 2356530413 DATQSAPMCPQONA-YCPHGPKFSA-N 412.151 4.784 50 1 HJGF CC(=O)O[C@H]1/C=C(/C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169367892 LMDUSAACXMMYTD-VPEVHEEJSA-N 423.619 4.742 50 1 HJGF N#Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587325090 BYSVREKKWNSQGK-GMAHTHKFSA-N 407.828 4.896 50 1 HJGF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)[C@@H](C2)C3=O 587423245 UJBDCLFXWLIHMI-GAJHUEQPSA-N 413.901 4.562 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CCCCl)cc1 587884100 FOBZGSAWBDCBJT-UHFFFAOYSA-N 422.739 4.906 50 1 HJGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)I 103279188 VSHWXNHAYGBHMS-QGQQYVBWSA-N 405.707 4.704 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC2)[C@H]1c1ccc(F)cc1 587324402 YTIOPIOJQXSLEU-ICSRJNTNSA-N 405.263 4.824 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(F)cc2)N1 587737121 WOAVELPGBLZDCK-ZMZPIMSZSA-N 409.299 4.719 50 1 HJGF COc1ccc2c(c1OC)[C@](CSC#N)(c1c[nH]c3ccccc13)N(C)[C@@H](C)C2 962638138 OTSWKHAVXOWQFC-WNSKOXEYSA-N 407.539 4.519 50 1 HJGF CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587376395 XKQUEPIJIGUXHZ-QUCCMNQESA-N 404.304 4.620 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])cc1)CC2=O 587455352 AVXHYGMANVBJIO-LJQANCHMSA-N 420.259 4.509 50 1 HJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499565 VPOBIEZLSJOSDL-QHCPKHFHSA-N 415.917 4.787 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(F)ccc1F 587554341 CZARVUHVSJXEEI-WIYYLYMNSA-N 402.780 4.766 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)COC3)N1 587685017 NMRINCLRNFBLOB-JEOXALJRSA-N 410.714 4.635 50 1 HJGF CC(=CBr)[C@H](Cl)C[C@H](Cl)[C@](C)(Cl)[C@H](O)CBr 2356861723 UMMKJQWCXYYLGI-RGOKHQFPSA-N 417.396 4.643 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587846126 GQDUNVVKWGXSKX-XLFHBGCDSA-N 416.743 4.869 50 1 HJGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3([C@@H](Cl)CCCCC[C@H]3Cl)N12 962637087 KHLFISXHUITAMH-GKJHBJHPSA-N 421.368 4.708 50 1 HJGF CCOC(=O)/C(C#N)=C/c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 606746 BAMBDOQUPBTCIJ-GHRIWEEISA-N 420.490 4.964 50 1 HJGF C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(F)cc1 6684438 JIFACWMWOBYXBQ-WGOQTCKBSA-N 408.502 4.679 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)O2 587372466 LRWOCCKVEZAYKL-SQHYZVFZSA-N 422.308 4.598 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CCl)c(OC)cc1OC)CC2=O 587462286 XFGPLVLNESKYSH-JOCHJYFZSA-N 404.890 4.981 50 1 HJGF C=C[C@]1(C)C(Cl)=C[C@@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3C)C2(C)C 143980626 ULCGNHFUBLOLRR-CMEPALEVSA-N 412.942 4.598 50 1 HJGF CC1(C)C(=O)Nc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587497667 KCKCGQGLIZKLFX-DEOSSOPVSA-N 409.913 4.895 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCC1 587538606 PYBKYWIBEFBANW-PXNSSMCTSA-N 403.272 4.678 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)CCl)c2)N1 587849279 SACZZHJTSQEDEO-VVVCHXIZSA-N 416.743 4.869 50 1 HJGF C[C@]1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1 44386662 PCBPNOBJASOPBO-NRFANRHFSA-N 417.937 4.620 50 1 HJGF COc1ccc2c(c1OC)[C@@](CSC#N)(c1c[nH]c3ccccc13)N(C)[C@H](C)C2 962638128 OTSWKHAVXOWQFC-IQMFZBJNSA-N 407.539 4.519 50 1 HJGF CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(C=O)cc(OC)c2O)c1 42888919 IEFJKDJLRVPBNY-GFPUREGVSA-N 410.334 4.764 50 1 HJGF Brc1cccc(C2OOC(c3cccc(Br)c3)OO2)c1 43617239 YIJCIFYTKQRBCK-UHFFFAOYSA-N 402.038 4.819 50 1 HJGF C/C(CCC(=O)Nc1ccccc1Cl)=N\NC(=O)c1ccc(-n2cccc2)cc1 1772581747 KVJWVAAFOAWLEE-PCLIKHOPSA-N 408.889 4.655 50 1 HJGF Cc1c(N=C=S)ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F 587894133 AUDLWJYCFBQFFB-UHFFFAOYSA-N 407.297 4.886 50 1 HJGF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@H](O)C[C@H]1OO 2356411507 RCNVBRCNVUOFOJ-VHKSZFODSA-N 400.515 4.623 50 1 HJGF CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415431 SCFMRWTXUJCJTG-HGHGUNKESA-N 417.299 4.520 50 1 HJGF O=C(N/N=C/c1ccc(CSc2nc3ccccc3s2)cc1)c1cccnc1 1857770048 NPTKSAXMABEZIL-FSJBWODESA-N 404.520 4.748 50 1 HJGF C[C@@H](c1cccc(OCCCNC(=O)CCCC[C@H]2CCSS2)c1)N(C)C 35997368 ZRDZIXJPHJDNOM-PXNSSMCTSA-N 410.649 4.908 50 1 HJGF Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587537456 FPEDDGVTKMNNEX-FXAWDEMLSA-N 415.239 4.546 50 1 HJGF Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 1857770208 KMZGMPGXNIYGJV-QFIPXVFZSA-N 421.456 4.549 50 1 HJGF CC(C)[C@@]12C=C3CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2 2356457824 ADFNVLJQSYGXIL-HOTKZRPMSA-N 420.546 4.817 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)[C@@H](C2)C3=O 587417894 QGPQMAYEMBEXHN-MBSDFSHPSA-N 413.901 4.562 50 1 HJGF Cc1c(-c2cc(C(=O)NN)nn2-c2ccccc2)oc2c(Cl)cc(Cl)cc12 1857534852 IEQWMUBKRZYENI-UHFFFAOYSA-N 401.253 4.504 50 1 HJGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc(Cl)s1 963608372 KVMIVIAPVBARAR-QGHHPUGFSA-N 416.768 4.591 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1 587327564 PYITZVAYJVCORN-REWPJTCUSA-N 422.843 4.901 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1C(F)(F)F)O2 587382445 PUIGAMTWOJMIGO-QGZVFWFLSA-N 414.221 4.852 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)OCCCO3)CC2=O 587460636 OGMWSNXPHYDATD-QFIPXVFZSA-N 402.874 4.606 50 1 HJGF N#Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587325085 BYSVREKKWNSQGK-FYYLOGMGSA-N 407.828 4.896 50 1 HJGF COc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542094 FQIAXFLELVEKJU-IJIZOXLDSA-N 410.853 4.885 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(F)ccc1F 587554335 CZARVUHVSJXEEI-NQIIRXRSSA-N 402.780 4.766 50 1 HJGF O=C1c2ccccc2[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H]1Br 962658507 DALTXNOMUQYMLD-GOTSBHOMSA-N 404.307 4.703 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)ccc2c1C[C@@H](C)O2 103203127 AGXTYPWWTNQHPF-CYBMUJFWSA-N 400.906 4.558 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587677539 AXEDVOBXWXTIOF-DGIBIBHMSA-N 421.697 4.613 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587733029 NCABBUWMFHBJPE-GTJPDFRWSA-N 408.274 4.570 50 1 HJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(NC(=O)C3CC3)cc2)N1 962945869 GZASPVOFEHIHGR-OSPHWJPCSA-N 407.945 4.923 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587730573 FXVLUCPQUBRKHG-LAJNKCICSA-N 408.274 4.570 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2F)N1 587731276 YTINSYICZYAFST-ADLMAVQZSA-N 409.299 4.719 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 587372357 KRMXNJJSFYMVTE-ISKFKSNPSA-N 420.896 4.684 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CCl)c(OC)cc1OC)CC2=O 587462287 XFGPLVLNESKYSH-QFIPXVFZSA-N 404.890 4.981 50 1 HJGF Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587674312 VYNUDNPZZJFJNL-FVMDXXJSSA-N 417.116 4.662 50 1 HJGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)[C@@H](C2)C3=O 587423246 UJBDCLFXWLIHMI-SBUREZEXSA-N 413.901 4.562 50 1 HJGF COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](Br)C2=O)cc1C 587912161 BYIQANNEKNGIRX-GOSISDBHSA-N 418.718 4.557 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccon3)c1C)CC2=O 587461893 UWZUBGPWRUXQHA-QFIPXVFZSA-N 414.889 4.840 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587686654 WQEWHUNLVWDJCY-DGIBIBHMSA-N 423.713 4.792 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1c(C)cc(C)c(NC(C)=O)c1C 963271517 UZZFGOMUMSTTMQ-QFIPXVFZSA-N 421.368 4.860 50 1 HJGF O=C(Oc1ccc(N(CCCl)CCCl)cc1)c1ccc(Br)cc1 95719646 VSZDJZWCVDOADP-UHFFFAOYSA-N 417.130 4.952 50 1 HJGF NNC(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068936 BOXMILFFFPKYEE-WDZFZDKYSA-N 418.884 4.569 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)C(C)C)[C@@H](C2)C3=O 587414088 KGJVQLDDMXLZMJ-ZLGUVYLKSA-N 401.300 4.758 50 1 HJGF Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 1857770207 KMZGMPGXNIYGJV-JOCHJYFZSA-N 421.456 4.549 50 1 HJGF CC1=CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C1=CC(=O)O[C@H]1O 38262716 XJKDZNIKFFJKMU-NPPLXCEOSA-N 416.558 4.554 50 1 HJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1CO/C=C/C(=O)OCc1ccccc1 195004579 PCBFCQSTFQEILO-XRRKCFAHSA-N 406.595 4.830 50 1 HJGF CCCc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587410940 AITNUODHXLFGLN-UTKZUKDTSA-N 401.300 4.686 50 1 HJGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587498401 NTNAOCCTYOCRJK-DEOSSOPVSA-N 423.896 4.933 50 1 HJGF O=C1c2ccccc2[C@@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H]1Br 962658495 DALTXNOMUQYMLD-DHIUTWEWSA-N 404.307 4.703 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)CC2=O 587495336 QACSIDXTPDKYAZ-GTJPDFRWSA-N 421.946 4.530 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)c4ccc(F)cc4C[C@@H]4CCCN43)cc2C[C@@H]1C 963094201 BSJFISYPJORYFJ-OQHVVPOVSA-N 412.936 4.626 50 1 HJGF COc1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498387 GUMSLYNQFSPYCF-NRFANRHFSA-N 401.300 4.830 50 1 HJGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500131 YMZPXIILEKEVOQ-QHCPKHFHSA-N 415.917 4.787 50 1 HJGF CC(=O)c1csc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587846123 GQDUNVVKWGXSKX-HUTHGQBESA-N 416.743 4.869 50 1 HJGF COC(=O)NNC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26840838 WRUWJITWKTUTIA-UHFFFAOYSA-N 401.426 4.524 50 1 HJGF CC[C@@H](Br)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499001 LBTSGMMAOJUBCW-WIYYLYMNSA-N 400.316 4.995 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)ccc2O)N1 587689100 PLUXRKCHMJVUMW-XLFHBGCDSA-N 419.121 4.964 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)COC3)N1 587682914 FBLQHPRTFZRHCZ-JEOXALJRSA-N 410.714 4.635 50 1 HJGF COc1cc2c(cc1OC)[C@@](CCl)(c1c[nH]c3ccc(F)cc13)N(C)[C@@H](C)C2 962644484 YDLPXJJTYQOZBT-XMHCIUCPSA-N 402.897 4.683 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnc(N3CCCCC3)s1)CC2=O 587493288 DFNUSRPKSIDSBG-OAQYLSRUSA-N 420.962 4.891 50 1 HJGF O=C1[C@@H](Cl)[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 96939292 JDQSCBJBVGOGLG-KBPBESRZSA-N 415.512 4.907 50 1 HJGF CN1C(=O)CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587499354 SKILTRNODYSLIY-DEOSSOPVSA-N 409.913 4.574 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C[C@@H]2Br 587543212 JZSFHLWMVXRNSX-CNNODRBYSA-N 423.262 4.569 50 1 HJGF C[C@@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C(=O)O)cccc21 963120328 GNTCAPLGVFVBRB-JVRBXRCWSA-N 418.375 4.726 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)C(C)C)[C@@H](C2)C3=O 587414086 KGJVQLDDMXLZMJ-ORYQWCPZSA-N 401.300 4.758 50 1 HJGF COc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542370 GVZYWNMLXDSVOC-NZQKXSOJSA-N 410.853 4.887 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2F)N1 587730791 YGGMPRVVBNEDDL-BCTVWOGZSA-N 422.100 4.792 50 1 HJGF O=C(N/N=C/c1ccc(OCc2ccccc2C(F)(F)F)cc1)c1cccc(O)c1 653873546 XHOIPSKQSJDGAJ-LGJNPRDNSA-N 414.383 4.754 50 1 HJGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 1857621016 QYKDCQSGLOTTHC-UHFFFAOYSA-N 414.498 4.635 50 1 HJGF COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587554877 FMWVMAFRFDZFEK-KNQAVFIVSA-N 414.816 4.636 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cc(N=C=S)cc1F 587892801 DMPOTOCBYBHHKH-UHFFFAOYSA-N 411.260 4.716 50 1 HJGF CC(C)[C@@]12C=C3CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@]3(CC1)OO2 2356457828 ADFNVLJQSYGXIL-KCDSLRJUSA-N 420.546 4.817 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587009774 RSTKYNSEYURNHX-AWEZNQCLSA-N 423.250 4.615 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(CBr)c(F)c1 963027981 BBEXCQZLEHKFRH-IBGZPJMESA-N 401.279 4.513 50 1 HJGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 1772643920 NUULJRBDTRBNRE-DHIUTWEWSA-N 414.465 4.547 50 1 HJGF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C#N)=CO2 587333526 GOOZFHSRGLZOSR-ILBGXUMGSA-N 413.404 4.894 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1F)CC2=O 587466983 OVOCGOZPVOFUIA-IBGZPJMESA-N 411.242 4.879 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846042 GJIWNDVXXHFUGB-HUTHGQBESA-N 416.743 4.869 50 1 HJGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1C 1857595733 LBHAAZVTDDHFHM-ZMOGYAJESA-N 413.437 4.519 50 1 HJGF COc1ccc([C@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841407 AWFQRLVPAHAJGW-BLVKFPJESA-N 421.335 4.589 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2F)N1 587725874 SIWIGXDEUZUHPR-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF COC(C)(C)[C@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586971397 RPTCBQMQOSGADN-SNVBAGLBSA-N 401.610 4.976 50 1 HJGF CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2CC4)[C@H](Br)C1 587209237 KZTQQUHVFLDFTG-SWLSCSKDSA-N 403.320 4.609 50 1 HJGF COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587554871 FMWVMAFRFDZFEK-DENIHFKCSA-N 414.816 4.636 50 1 HJGF CS(=O)(=O)/C(C#N)=C/c1cc(Cc2ccc(SC(F)(F)F)cc2)ccc1F 1857584758 JIMDBOZJRFETPF-MHWRWJLKSA-N 415.433 4.937 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3cccc(F)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106448 BEYLQKYXVWJSAB-MOAHKDJASA-N 420.521 4.983 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3nccs3)c1C)O2 587414244 SEOXCAKTZHTPLD-FQEVSTJZSA-N 401.919 4.541 50 1 HJGF CC(=O)N1CCc2cc([C@]3(CCl)NCCc4cccc(Cl)c43)c(Cl)cc21 963391246 QURXJRMOWPOXMU-FQEVSTJZSA-N 409.744 4.531 50 1 HJGF CCn1cc(/C=N\NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c(C)n1 15989705 IJEIUYLDMUPBEV-WGARJPEWSA-N 413.525 4.595 50 3 HJGF O=CC1=C(SC2CCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45256271 CSXQFDHPOSTQPU-UHFFFAOYSA-N 400.569 4.716 50 1 HJGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1 95808695 HSLPOCAJJSABTF-LFVJCYFKSA-N 400.450 4.582 50 1 HJGF N#CC(C#N)=Cc1ccc(OCCSc2nnc(-c3ccccc3Cl)o2)cc1 103186332 UHHNGUJLUYHWMP-UHFFFAOYSA-N 408.870 4.992 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCCl)c2)N1 587684936 NBHXBBCSCYNKEK-WYRIXSBYSA-N 412.730 4.873 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(CCl)c2O)N1 587725015 BADRMJVEFVRMFQ-YYSFKGJASA-N 416.693 4.969 50 1 HJGF Brc1ccc(C2OOC(c3ccc(Br)cc3)OO2)cc1 43620336 KKFNPCQHXMPZGN-UHFFFAOYSA-N 402.038 4.819 50 1 HJGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(N)=O 84604035 OGVXBOUFKSTFLN-ONEGZZNKSA-N 423.476 4.929 50 1 HJGF COc1cccc2cc3c(nc12)[C@](c1ccc(C(=O)Cl)cc1)(C(F)(F)F)NCC3 963059793 UWJZZFQPGHLHQO-HXUWFJFHSA-N 420.818 4.574 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1 587537620 IYJQOTNWDJTCGB-NQIIRXRSSA-N 411.251 4.990 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1OC)CC2=O 587466766 MQISTABMIXRYNI-FQEVSTJZSA-N 423.278 4.748 50 1 HJGF CC(=O)N(C)Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498336 NCZOGNDXGUODPH-XMMPIXPASA-N 411.929 4.643 50 1 HJGF CC(=O)O[C@H]1/C=C(\C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 29042313 LMDUSAACXMMYTD-SRHANZHXSA-N 423.619 4.742 50 1 HJGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587009139 XDWBDEDSMSGULY-GFCCVEGCSA-N 404.706 4.536 50 1 HJGF Cc1nc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587328910 WNZSZCZPDSFGEP-RXVVDRJESA-N 401.821 4.629 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCOC)c1C)CC2=O 587461685 SBQUWWZJJYZHOQ-JOCHJYFZSA-N 405.922 4.509 50 1 HJGF CC(=O)N1CCc2cc([C@@]3([C@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496447 CZRITQZMWPQFRP-MQNRADLISA-N 423.940 4.962 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)cc1 587874832 HWGDSBCHMFAMAY-UHFFFAOYSA-N 411.126 4.599 50 1 HJGF CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCl 1857542764 JNUAITAEEJPXAZ-UHFFFAOYSA-N 410.232 4.709 50 1 HJGF C[C@@H]1CC[C@@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195243194 KVHGGKMBZYNYJO-PNERCMSUSA-N 400.515 4.788 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)O2 587413455 OHVLVOUJLSPMJR-OPAMFIHVSA-N 423.925 4.951 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)ccc2c1CCCO2 103197649 NHBORXJQYDFLHV-UHFFFAOYSA-N 400.906 4.559 50 1 HJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCCl)[C@@H]3CC[C@@H]12 169365373 ZKYICTSKRHTRLQ-PLOVCHRTSA-N 406.010 4.603 50 1 HJGF O=C(Cl)[C@H](Br)CC[C@@H](Br)C(=O)c1coc2ccccc12 587280784 YIZGGILDKGEHGS-GHMZBOCLSA-N 422.500 4.688 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2)N1 587674211 UUKOMOTXAFQZCX-APPDUMDISA-N 413.128 4.761 50 1 HJGF C[C@@]1(c2ccc(O)c(CCCl)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716719 VTDPZNQNGBKKKV-VGOFRKELSA-N 405.966 4.940 50 1 HJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(F)c1N=C=S 587892127 LCNWIBMMGTYWPC-UHFFFAOYSA-N 411.260 4.716 50 1 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cccc(F)c1 84617703 XTTQPNHKXKNTKH-AFUMVMLFSA-N 418.497 4.618 50 1 HJGF Cc1cccc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C 103207470 JJJDISZTDBXACK-UHFFFAOYSA-N 421.463 4.823 50 1 HJGF O=C(CCl)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586984939 CELDCQWMOQQTRF-UHFFFAOYSA-N 414.848 4.996 50 1 HJGF CCOC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1 587087293 OCYNSSIJOXRCEZ-NSHDSACASA-N 422.092 4.686 50 1 HJGF Cc1noc(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325319 DMEGMUVCQMSFRS-PZJWPPBQSA-N 401.821 4.629 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@H](Br)CC)CC2=O 587449928 CNOMNFMWUVAENH-YLJYHZDGSA-N 404.304 4.774 50 1 HJGF C[C@@H]1Oc2ccc3ccccc3c2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21 1772602210 OSWVJVUWMSAVIY-UAJCNKRNSA-N 409.485 4.986 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC)c1F)CC2=O 587466773 OBBZLAKNWFTHIG-HXUWFJFHSA-N 423.278 4.748 50 1 HJGF O=C1C[C@](CBr)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587499441 NEKHHQRRURYMKZ-NRFANRHFSA-N 415.283 4.550 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCC2)N1 587673944 RVFQIFBJNSYJJH-QLJPJBMISA-N 405.149 4.903 50 1 HJGF Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@H]3c1ccc(Br)cc1 103184874 XAAUHEMMCXHMIA-SFHVURJKSA-N 419.282 4.552 50 1 HJGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCBr)CC2=O 587456253 LNYXOLXZKVJCBR-LJQANCHMSA-N 405.288 4.825 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Br 587541849 DMHCIOWMGYDOQD-ABSDTBQOSA-N 403.272 4.820 50 1 HJGF CC(=O)N1CCc2cc([C@@]3(CCl)NCCc4cccc(Cl)c43)c(Cl)cc21 963391247 QURXJRMOWPOXMU-HXUWFJFHSA-N 409.744 4.531 50 1 HJGF O=C1C[C@@](CBr)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587500931 VKIODSUHPVNIOW-HXUWFJFHSA-N 416.271 4.729 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(F)ccc2F)N1 587717359 KXAWFTPCCKUTOY-XYZCENFISA-N 404.657 4.883 50 1 HJGF CO[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@H]12)C(C)(C)O 2356645544 VDDDNUHBNZDCIZ-CRSOYBHRSA-N 414.586 4.678 50 1 HJGF O=C1[C@H](Cl)[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 96939293 JDQSCBJBVGOGLG-ZIAGYGMSSA-N 415.512 4.907 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OCC)CC2=O 587457319 XQGIQCPBJXOKOR-OAQYLSRUSA-N 419.315 4.999 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(C)=O)cc1F)CC2=O 587465809 HPZYWOXQEZKWDM-OAQYLSRUSA-N 405.853 4.542 50 1 HJGF Cc1nc(C)c([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)o1 962702640 FVAHNIRWRSKXCA-GOSISDBHSA-N 407.333 4.643 50 1 HJGF CS(=O)(=O)/C(C#N)=C/c1c(F)ccc(Cc2ccc(Cl)c(Cl)c2)c1F 1857568575 QIZSFLWXNBVQHX-XYOKQWHBSA-N 402.249 4.771 50 1 HJGF CCN(CC)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374230 OSLXTFRDGSUSBI-NRFANRHFSA-N 417.347 4.679 50 1 HJGF COc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841412 AWFQRLVPAHAJGW-HXPMCKFVSA-N 421.335 4.589 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCCBr)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428683 OAMIUJKJPOXCBS-JXFKEZNVSA-N 405.263 4.652 50 1 HJGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@@H](Cl)CC2=CC[C@@H](Br)[C@H]1O2 2356450044 GTAXFXIOLOZIPX-VEKQWLPASA-N 424.560 4.827 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@@H](C)Br)O2 587376677 XUHCIKDANQAFQE-LRTDBIEQSA-N 400.316 4.710 50 1 HJGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587688355 LSWUAVYBGWXRDN-BUXKBTBVSA-N 412.730 4.927 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2F)N1 587726689 KLEGQXAJWIHTSQ-ADLMAVQZSA-N 409.299 4.719 50 1 HJGF O=C(NN=C(c1ccccc1)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 2356870932 WUXOJAPNOTZWAZ-UHFFFAOYSA-N 424.254 4.540 50 1 HJGF Cc1c(C(=O)NN(C(=O)c2cccc(Cl)c2)C(C)(C)C)ccc2c1CC(C)(C)O2 103205429 RQDXTVVJQZZIGX-UHFFFAOYSA-N 414.933 4.948 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(F)c1)CC2=O 587467438 SECCISZGGZIDKL-FQEVSTJZSA-N 423.278 4.748 50 1 HJGF COc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542098 FQIAXFLELVEKJU-WRPOGVCQSA-N 410.853 4.885 50 1 HJGF CC(C)c1ccc(C(=O)CCCC(=O)N(C)CCSSCCN(C)C)cc1 618010530 YMPUQDRVWGZZRN-UHFFFAOYSA-N 410.649 4.564 50 1 HJGF COc1cccc2c1OC=C(C=O)[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963199808 ZAOWMVDEUHBNES-RPLLCQBOSA-N 422.484 4.537 50 1 HJGF CC(C)[C@@]12C=C3CC[C@@H]4[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@]3(CC1)OO2 2356457822 ADFNVLJQSYGXIL-FBHBTBFLSA-N 420.546 4.817 50 1 HJGF CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 39310218 YZMKNNITNHTADN-UHFFFAOYSA-N 406.442 4.512 50 1 HJGF in-vitro CC1=NN(c2ccccc2Cl)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009758 VZGYBNUVGMPAAN-APWZRJJASA-N 417.321 4.886 50 1 HJGF CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2c1 587187859 LPSWTCVDUUSYKS-NVNXTCNLSA-N 410.271 4.875 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)cccc1Cl)[C@@H](C2)C3=O 587424583 PMETXNYTCBPTJF-BBATYDOGSA-N 411.654 4.526 50 1 HJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CSC#N)c1cccc2ccccc12 963632006 DODWJRDMIJOUON-FYSMJZIKSA-N 404.535 4.849 50 1 HJGF C=C(CC(=O)O)[C@H](O)C/C=C(C)/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br 13379413 DATQSAPMCPQONA-HYJHZUOBSA-N 412.151 4.784 50 1 HJGF O=C1C[C@](CBr)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587501837 ZCLJBCKKYGUCQJ-QFIPXVFZSA-N 413.311 4.756 50 1 HJGF CCCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1 13675537 AVLJGOPRUJRUPH-LJQANCHMSA-N 412.921 4.943 50 1 HJGF Br[C@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1 13682974 JWWRXMQFDXHSCD-GOSISDBHSA-N 408.303 4.575 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2F)N1 587730797 YGGMPRVVBNEDDL-ZKANADHPSA-N 422.100 4.792 50 1 HJGF CC(C)[C@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)COC(=O)CCC(=O)O)[C@@]3(CC1)OO2 49761913 ADFNVLJQSYGXIL-PKBMHHEFSA-N 420.546 4.817 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 587325393 DUNFCDHQYSJPNZ-GGAORHGYSA-N 412.844 4.947 50 1 HJGF C=C(CC(=O)O)C(=O)C/C=C(C)/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br 13379415 GOWQWBXAQSXSLZ-TUFXQOOASA-N 410.135 4.993 50 1 HJGF biogenic,in-vitro Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O 587541682 CYBFQAGNAOEGRH-CVDCTZTESA-N 410.853 4.811 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Br)[C@](C)(Br)[C@H](O)CCl 2356789386 DFPMJUMCRWLQHD-RGOKHQFPSA-N 417.396 4.643 50 1 HJGF CCCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1 13675539 AVLJGOPRUJRUPH-IBGZPJMESA-N 412.921 4.943 50 1 HJGF O=C(N/N=C/c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 45258114 RDTBRAXGCYZQMR-CVKSISIWSA-N 406.445 4.853 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587733034 NCABBUWMFHBJPE-QKVFXAPYSA-N 408.274 4.570 50 1 HJGF CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@@H](C(C)=O)C(C)=N2)cc1 150338636 QQBVXSBGZATFAW-FGZHOGPDSA-N 406.507 4.957 50 1 HJGF aggregator CN(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI 169322691 CUSWSZCECFKDQV-UHFFFAOYSA-N 416.262 4.539 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(F)cc2)N1 587737116 WOAVELPGBLZDCK-BBATYDOGSA-N 409.299 4.719 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cccc(NC(=O)C(C)(C)CCl)c1 963256483 CMRLWZFTSMIEAQ-QFIPXVFZSA-N 421.368 4.961 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)O2 587372184 JXDFPHQOWRNAAP-JLCFBVMHSA-N 400.906 4.660 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(CCl)c2O)N1 587726852 LNSZVYWCVQSDHN-DYBLOJMWSA-N 416.693 4.969 50 1 HJGF CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](Cl)c2ccccc2)CC1 28001662 BLIBIIGBEHUUAK-JOCHJYFZSA-N 414.977 4.891 50 1 HJGF Cc1ccc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 84617698 SXXAMVHDVZZODY-MFKUBSTISA-N 414.534 4.787 50 1 HJGF Cc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841457 AYOOIMRQPKWKLG-ORAYPTAESA-N 405.336 4.889 50 1 HJGF CCOC(=O)/C(C#N)=C(/Nc1ccc(C(F)(F)F)cc1)N[C@H](C)c1ccccc1 35860136 KAHJBIATAPTMAA-IWHJNQCMSA-N 403.404 4.766 50 1 HJGF C[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706151 OJVYVAJLXOBAQA-LTMDPNIMSA-N 419.054 4.663 50 1 HJGF C[C@H](Br)C1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499492 NOFBMEJJWYHNRR-QWRGUYRKSA-N 416.153 4.836 50 1 HJGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500057 YFWSTHVFDNDRQK-HSZRJFAPSA-N 415.917 4.787 50 1 HJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586974398 WBWXBSCTKMEMSJ-CQSZACIVSA-N 402.336 4.550 50 1 HJGF CCOC(=O)Cc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972791 BSTGGHNEVXELAP-CYBMUJFWSA-N 401.304 4.715 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C2)C3=O 587422925 WGDCPUXZJJFRFN-HNAYVOBHSA-N 413.823 4.558 50 1 HJGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O 587417724 PFYDGYBBRDALKX-CYFREDJKSA-N 404.849 4.765 50 1 HJGF N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587551737 JDAGLDNGRYSCJB-OFNKIYASSA-N 417.804 4.703 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCCl)cc2)N1 587681761 ANGUJZOIMYHTBI-BUXKBTBVSA-N 411.746 4.887 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)O2 587373925 ULLPQYZDFBOOMX-JOCHJYFZSA-N 400.906 4.661 50 1 HJGF CCOC(=O)[C@@]1(CCCCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587683930 IKJLKJFFWQGUSP-SGTLLEGYSA-N 420.750 4.680 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(F)cc2)N1 587734951 OFERWAQJCSICKF-BBATYDOGSA-N 400.694 4.938 50 1 HJGF CC1(C)O[C@H]2[C@@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879447 JAGSEXUPXYZVOI-YVECIDJPSA-N 412.100 4.653 50 1 HJGF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587236727 YKKRGOBOHRFSPM-BQBZGAKWSA-N 420.201 4.832 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1 587537622 IYJQOTNWDJTCGB-WIYYLYMNSA-N 411.251 4.990 50 1 HJGF CO[C@]1(CCCC#CC=CCCCCCCCC(C)=O)CC[C@@H](CC(=O)O)OO1 2356462379 PBMTYMCJWHLVHH-GMAHTHKFSA-N 408.535 4.964 50 1 HJGF N#C/C(=C\c1cc(CSc2ccccc2)c(O)c(OCc2ccccc2)c1)C(N)=O 40949299 OXWGUAZBIPGMPW-YBFXNURJSA-N 416.502 4.656 50 1 HJGF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587256423 IIAZTVDARRDGSQ-SNVBAGLBSA-N 401.401 4.822 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1 587538062 MWCDZPCZGWJIJD-RXVVDRJESA-N 411.251 4.644 50 1 HJGF CC(=O)O[C@H]1/C=C(\C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169367891 LMDUSAACXMMYTD-IARZJKLRSA-N 423.619 4.742 50 1 HJGF COc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542100 FQIAXFLELVEKJU-ZTWLPKFNSA-N 410.853 4.885 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CBr)CC2)N1 587673805 QEHRRVDADRKOFV-SGWRBKMISA-N 405.149 4.903 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CBr)(CC2CC2)[C@H]1c1ccc(F)cc1 587324410 YTTRPAOOSRFAQZ-ICSRJNTNSA-N 405.263 4.824 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1c(F)cccc1F)O2 587382687 TXEFHLSSXSPHRR-PKOBYXMFSA-N 410.258 4.586 50 1 HJGF CC[C@@H](Br)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587498999 LBTSGMMAOJUBCW-NQIIRXRSSA-N 400.316 4.995 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCC2 587543855 LXNYXSPRHPFKGA-URXFXBBRSA-N 406.865 4.977 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)c4ccc(F)cc4C[C@H]4CCCN43)cc2C[C@H]1C 963094203 BSJFISYPJORYFJ-YFMCZXFPSA-N 412.936 4.626 50 1 HJGF CCC(CC)(C(=O)OC)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497556 CRTHFTMWZYODPT-OAQYLSRUSA-N 423.347 4.644 50 1 HJGF COC(C)(C)[C@@H](Br)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586970333 DDIIIOONBSCNMH-ZDUSSCGKSA-N 420.145 4.974 50 1 HJGF Cc1ccc2c(ccc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c32)n1 587009485 HWLHDXGGGLZVOK-FQEVSTJZSA-N 417.900 4.540 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O 587417725 PFYDGYBBRDALKX-YADARESESA-N 404.849 4.765 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2ccccc12 587542131 FSNKNTAMLPHSGN-OFNKIYASSA-N 405.837 4.969 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCCOC)c1C)CC2=O 587460717 OXDAQXMEXGUGPV-HSZRJFAPSA-N 419.949 4.899 50 1 HJGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496735 DYQHJSHVLWMXBA-OYLFLEFRSA-N 411.929 4.862 50 1 HJGF O=C(O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500597 STMVOJYXSULMMH-OAQYLSRUSA-N 415.283 4.519 50 1 HJGF CSc1nc(N2CCCCCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 13589905 AICHLWXNBJBLBC-QGZVFWFLSA-N 401.967 4.909 50 1 HJGF CCCNc1c(C(=O)OCCC)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13675479 WDOUIWVVHIIBTH-SFHVURJKSA-N 400.910 4.800 50 1 HJGF C[C@@]1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1 44386665 PCBPNOBJASOPBO-OAQYLSRUSA-N 417.937 4.620 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OCC)CC2=O 587457317 XQGIQCPBJXOKOR-NRFANRHFSA-N 419.315 4.999 50 1 HJGF CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587533561 XEYLTOKMJZCFQP-DMZKTXOQSA-N 417.958 4.751 50 1 HJGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688401 MCIPROWZXKGGCB-VOZBZGINSA-N 420.750 4.534 50 1 HJGF N#C/C(=C\c1cccc(Br)n1)C(=O)NC(c1ccccc1)c1ccccc1 73157043 YROFVWTTZKNSAG-NBVRZTHBSA-N 418.294 4.657 50 1 HJGF Cc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Cl 587009914 XGBJYFTUSOGHKH-SFHVURJKSA-N 401.297 4.645 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)ccc1CBr 963044773 CTFJGQVAEVMDCY-FQEVSTJZSA-N 401.279 4.513 50 1 HJGF Cc1ccnc2c1CCN[C@]2(CBr)c1c(F)ccc(Cl)c1Cl 963074942 YVSGLGROGSXPQM-MRXNPFEDSA-N 404.110 4.620 50 1 HJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)[C@@H](C2)C3=O 587416764 DYMBBYYZNZTJDA-GAJHUEQPSA-N 413.901 4.562 50 1 HJGF Oc1cc(F)ccc1[C@@]1(CBr)c2ccsc2CCN1Cc1ccco1 962699747 AMBLHQLRPRHSIY-IBGZPJMESA-N 422.319 4.883 50 1 HJGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](Br)C[C@H]32)C1 2356703279 VJGLIYQCQCELBZ-CPZQJQDXSA-N 411.380 4.903 50 1 HJGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2/C=C/c2ccccc2)/C(=C/C=C/c2ccccc2)C1 40614078 NEBGLXVAIXBTSP-HYXLKPBDSA-N 407.517 4.879 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1)CC2=O 587455883 HEYWEGXRCDZPON-HXUWFJFHSA-N 405.288 4.609 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587459158 GGHCLVWKMAVYKD-XMSQKQJNSA-N 423.937 4.687 50 1 HJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cccc(Br)c1 64373481 TUAPBESJHWUTEU-IBGZPJMESA-N 417.266 4.673 50 1 HJGF C[C@@H]1CC[C@@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]32OO4 195292174 SPUDBSZURDOOGS-BEFNTILDSA-N 406.906 4.805 50 1 HJGF CC(=O)N[C@@H](C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496733 DYQHJSHVLWMXBA-OWJWWREXSA-N 411.929 4.862 50 1 HJGF CC[C@H](Br)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499000 LBTSGMMAOJUBCW-RXVVDRJESA-N 400.316 4.995 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(COc1ccccc1)CC2=O 587455992 IILVAPCQGAPRMT-HXUWFJFHSA-N 405.288 4.523 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC)c1F)CC2=O 587466770 OBBZLAKNWFTHIG-FQEVSTJZSA-N 423.278 4.748 50 1 HJGF COc1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587498388 GUMSLYNQFSPYCF-OAQYLSRUSA-N 401.300 4.830 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(F)ccc1F 587554331 CZARVUHVSJXEEI-GHTZIAJQSA-N 402.780 4.766 50 1 HJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCCCl)c1ccc(C#N)cc1 963050863 DHHPSXGTNWIRND-DEOSSOPVSA-N 405.929 4.913 50 1 HJGF C[C@]1(c2ccc(O)c(CCCl)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716714 VTDPZNQNGBKKKV-JTSKRJEESA-N 405.966 4.940 50 1 HJGF COc1cc2c3c(c1)O[C@@H](c1coc4c(CCl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O 587423643 VDWPKULQTKAUBU-YEJXKQKISA-N 417.244 4.683 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCCl)cc2)N1 587686771 XIXFVVOPSJVQAF-CWTRNNRKSA-N 411.746 4.887 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 587327353 PJSOFLNPFXDDMD-VWNXMTODSA-N 424.855 4.959 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587413265 MCLYVLZVIHTDRX-UWJYYQICSA-N 417.299 4.520 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1 587684069 KEUDWVJZMGFAGT-DGIBIBHMSA-N 423.713 4.792 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(F)cc2)N1 587737118 WOAVELPGBLZDCK-VOJFVSQTSA-N 409.299 4.719 50 1 HJGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc(CNC(=O)C(C)(C)C)s1 963009235 KVDPZUFRTZFCBP-HXUWFJFHSA-N 411.036 4.717 50 1 HJGF C[C@]1(c2ccc(CCl)cc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177081 HWXBAUZMWPTTJZ-KBXCAEBGSA-N 418.242 4.960 50 1 HJGF COc1ccc(-c2cc3cc(CCCOC(=O)CCl)cc(OC)c3o2)cc1OC 66099106 QIEVCXUJKXIWRY-UHFFFAOYSA-N 418.873 4.840 50 1 HJGF CCOC(=O)CC1=NC(C)=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C1=C(\O)OCC 34802408 HKVATCNHKNPLJV-NQKFGRBQSA-N 422.403 4.800 50 1 HJGF O=C(O)COCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587563260 QCFWFWWXXMPGJM-UHFFFAOYSA-N 411.146 4.584 50 1 HJGF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)S[C@@H](Br)C2)cc1 103280235 ZDKDJPMPVZPWRB-MRXNPFEDSA-N 413.333 4.955 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(COc2ccccc2)[C@@H]1c1ccc(F)cc1 587325392 DUNFCDHQYSJPNZ-FYYLOGMGSA-N 412.844 4.947 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2CCBr 587539782 YFAXKNWHGYGJCQ-ASUYLVSUSA-N 403.272 4.678 50 1 HJGF CC(=CCCC(C=O)=CC[C@H](O)C1=CC(=O)O[C@H]1O)CC[C@@H]1C(C)=CCCC1(C)C 2356581473 XJKDZNIKFFJKMU-AOHZBQACSA-N 416.558 4.554 50 1 HJGF C=C(C=O)[C@H]1C[C@@]2(C)[C@H](C)CC[C@H](OC(=O)CCCCCCCCC)[C@@]23O[C@H]3C1=O 238731953 CAFODEOZJJUIRL-HNEBLHQZSA-N 418.574 4.957 50 1 HJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](C=C[C@@H](Br)CC)O1 2356422986 ZKQZHWSHCZDGAY-YTFOTSKYSA-N 410.577 4.824 50 1 HJGF COC(=O)[C@H](CCCCCC(Cl)Cl)[C@@H](CCCC#CC=CCl)NC(C)=O 2356700290 GRLUPGAXRLOURI-IAGOWNOFSA-N 424.796 4.961 50 1 HJGF CCCCOP(=O)(OCCCC)[C@@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249379 ZEEFXEKWWFEHRX-KRWDZBQOSA-N 409.379 4.549 50 1 HJGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688399 MCIPROWZXKGGCB-SDDDUWNISA-N 420.750 4.534 50 1 HJGF CC#C[C@@H]1[C@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-] 5808661 GFTMITPUFPQSRQ-INMHGKMJSA-N 423.254 4.520 50 1 HJGF CNNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 13474267 ABGHTQVGZLITLA-UHFFFAOYSA-N 409.704 4.672 50 1 HJGF CCCCCn1cc([C@@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cn1 1772646416 KNPQKIITFKRJFL-OAQYLSRUSA-N 416.447 4.637 50 1 HJGF Cc1ccsc1/C=N/NC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1 103204024 NBRCKRQTRLONFI-WSDLNYQXSA-N 403.935 4.536 50 1 HJGF Cc1ccc(/C=C(/C#N)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 587187324 DSWUOJBMLLNBJD-WDZFZDKYSA-N 420.641 4.589 50 1 HJGF O=C1C[C@](CBr)(c2ccnc(Cl)c2)Oc2c1ccc1c2CCCC1 587498925 KDOYMCNPRSHHSC-IBGZPJMESA-N 406.707 4.869 50 1 HJGF C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544192 NANJGDSPEFKTQM-REWPJTCUSA-N 410.853 4.756 50 1 HJGF Cc1ccc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)c(C)c1 29037243 DNWOFCUPECXVDX-UHFFFAOYSA-N 414.933 4.868 50 1 HJGF CC(C)(C)N(NC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1Cl 103181870 ZRDWAFJNMTVKIX-UHFFFAOYSA-N 409.711 4.688 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCO3)N1 587682499 CPEPTFJTAQWQDK-JEOXALJRSA-N 410.714 4.540 50 1 HJGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](C=C[C@@H](Br)CC)O1 2356422982 ZKQZHWSHCZDGAY-LXFSFDBISA-N 410.577 4.824 50 1 HJGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1c(C)cc(C)c(NC(C)=O)c1C 963271516 UZZFGOMUMSTTMQ-JOCHJYFZSA-N 421.368 4.860 50 1 HJGF Cc1c(O)[nH]c2ccc([C@]3(CCl)c4cccc(Br)c4CCN3C)cc12 963289060 IPKQGIDCSKFNKJ-HXUWFJFHSA-N 419.750 4.915 50 1 HJGF S=C(Nc1ccccc1)N1C[C@H](CBr)S/C1=N\c1ccccc1 82052467 QGKGHRFCBWKDOL-IENXAOORSA-N 406.374 4.883 50 1 HJGF COC(=O)[C@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)Cc4cc(C)ccc4[C@@]3(C)O2)OO1 165819285 SZMDSEBGARTKFL-JUCBFFMUSA-N 416.558 4.876 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCC2 587543854 LXNYXSPRHPFKGA-QPPBQGQZSA-N 406.865 4.977 50 1 HJGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2c(c1)CCO2 963231386 QUFIESKGQIWRRT-AOMKIAJQSA-N 400.360 4.917 50 1 HJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 1772643921 NUULJRBDTRBNRE-GOTSBHOMSA-N 414.465 4.547 50 1 HJGF C=C(C)[C@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 238780069 FIJWKNVOCSKASL-CUXRBROFSA-N 416.558 4.554 50 1 HJGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587496451 CZRITQZMWPQFRP-ODCWNRFASA-N 423.940 4.962 50 1 HJGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc(Cl)c(F)cc12 587627571 CXAZPUOXEKIUQA-UHFFFAOYSA-N 421.653 4.652 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCC2)N1 587673181 LCMVSBXRGAXOAZ-HWPZZCPQSA-N 405.149 4.903 50 1 HJGF O=C(N/N=C/c1cccc2c1ccn2Cc1ccccc1)c1ccc(O)c(Cl)c1 29126289 SQERLXDRJIAMLW-AFUMVMLFSA-N 403.869 4.813 50 1 HJGF CC(C)=CCC/C(C)=C/CO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 299865386 NPMPDIFJBRATPN-VLIUGTRASA-N 413.326 4.919 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)O2 587372279 KCBPENWWYBOSJA-XMMPIXPASA-N 424.928 4.724 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587679239 FRGPDXQHDOXDHZ-APBUJDDRSA-N 421.697 4.613 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587692183 ATHNKPYLUWERFH-GIGQVBGESA-N 419.681 4.819 50 1 HJGF COc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841410 AWFQRLVPAHAJGW-CWTRNNRKSA-N 421.335 4.589 50 1 HJGF N#Cc1c(Cl)nc(SC[C@@H]2CO[P@@](=O)(Cl)O2)nc1-c1ccccc1 96910376 KYTQSUMDCREUTQ-VCGICTTQSA-N 402.199 4.523 50 1 HJGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415432 SCFMRWTXUJCJTG-MMOPVJDHSA-N 417.299 4.520 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Br 587541850 DMHCIOWMGYDOQD-FUHIMQAGSA-N 403.272 4.820 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)cc2F)N1 587726354 WRDXBOKCPLJKFJ-XLFHBGCDSA-N 404.657 4.883 50 1 HJGF COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1ccccc1 95570263 WUBFEWAYUGZSHA-DEOSSOPVSA-N 423.472 4.833 50 3 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587677533 AXEDVOBXWXTIOF-APBUJDDRSA-N 421.697 4.613 50 1 HJGF COc1ccc([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(OC)c1 103194222 HMCZKKGJAIEIRI-DLQZLCHUSA-N 404.503 4.627 50 1 HJGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O 587541684 CYBFQAGNAOEGRH-XXBNENTESA-N 410.853 4.811 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@@H](Br)CC)CC2=O 587449923 CNOMNFMWUVAENH-FXAWDEMLSA-N 404.304 4.774 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 587677544 AXEDVOBXWXTIOF-OVWNDWIMSA-N 421.697 4.613 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(=O)c3ccccc3)cc1)O2 587371848 HESUUTFRYYHNQW-DEOSSOPVSA-N 420.896 4.929 50 1 HJGF Cc1sc2c(c1C)CCN[C@]2(CBr)c1sccc1Br 963031072 SSYOQXCVQXYWPK-AWEZNQCLSA-N 421.223 4.973 50 1 HJGF CC(C)(C)CC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27631902 UFAIKMFVPFLJSJ-UHFFFAOYSA-N 416.699 4.595 50 1 HJGF O=C1CSc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 587537624 JFBYVMBCAPRNQG-QFIPXVFZSA-N 413.926 4.709 50 1 HJGF CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@]1(C2)Cc2cc(CC)c([C@@H](C)O)cc2C1 1855349 LOHWDPFXGRHSDR-IDBWYLEZSA-N 415.533 4.656 50 1 HJGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCBr)CC2=O 587456252 LNYXOLXZKVJCBR-IBGZPJMESA-N 405.288 4.825 50 1 HJGF COc1ccc2c(c1OC)[C@@](CSC#N)(c1c[nH]c3ccccc13)N(C)[C@@H](C)C2 962638132 OTSWKHAVXOWQFC-NPMXOYFQSA-N 407.539 4.519 50 1 HJGF CC(=CCCC(C=O)=CC[C@@H](O)C1=C[C@@H](O)OC1=O)CCC1=C(C)CCCC1(C)C 2356795152 IJTISNDTHPBRLA-PKTZIBPZSA-N 416.558 4.698 50 1 HJGF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(\C#N)c4ccno4)cc3)nc12 148956900 WHFXQLDSMZYCSJ-XNTDXEJSSA-N 412.453 4.982 50 1 HJGF C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C 238780425 FIJWKNVOCSKASL-FVOWOXTISA-N 416.558 4.554 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1[N+](=O)[O-])CC2=O 587457437 ZMQPJDXDHWYXRB-IBGZPJMESA-N 420.259 4.509 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(F)c1)CC2=O 587465967 IBCDWLKGBQYOMO-LJQANCHMSA-N 411.242 4.879 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1F 587568386 LIMPRYXOPKLLMZ-JXFKEZNVSA-N 420.223 4.676 50 1 HJGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc3c(c2[nH]1)CCCC3 587009739 PUVMYBKWNCSMTR-FQEVSTJZSA-N 406.917 4.562 50 1 HJGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372967 OMAKWKPRAJMJMW-JLCFBVMHSA-N 400.906 4.804 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OC)c1C)([C@@H](C)Cl)CC2=O 587458857 LTFGWCLGQHZMFR-MCMMXHMISA-N 419.905 4.564 50 1 HJGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@H]3C[C@H](Cl)C3)c2)[nH]1 1857535233 UNPCCYFJMCHROL-HDJSIYSDSA-N 416.909 4.956 50 1 HJGF CO[C@]1(C(Br)Br)O[C@H](C(C)=CCl)CC(Cl)=C1C 2356805416 VIDQQDMZLUDVNZ-ONGXEEELSA-N 408.945 4.889 50 1 HJGF C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1 43393426 BHVPRHLTQSOLEV-WLXPTCNVSA-N 408.498 4.756 50 1 HJGF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587009140 XDWBDEDSMSGULY-LBPRGKRZSA-N 404.706 4.536 50 1 HJGF CC1=C(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)C(C)(C)CCC1 5811342 KESXQHZIRZKRKH-KUNPSBAASA-N 416.558 4.698 50 1 HJGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587643140 BJQLPNNEXMJMJT-UHFFFAOYSA-N 408.639 4.683 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356459670 VORHAOSDGGICSS-KRQQGRSYSA-N 420.546 4.513 50 1 HJGF O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(O)c(Cl)c1 13492736 IPTDGMDYCZJRHA-DHRITJCHSA-N 403.869 4.813 50 1 HJGF CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)[C@H](O)[C@@]45C 525915258 QGLGJVXUKKCOIZ-XVMKHKRPSA-N 400.559 4.652 50 1 HJGF biogenic CCCc1c(O)ccc2c1O[C@](CCl)(c1[nH]c(C)c(C(C)=O)c1CC)CC2=O 587461211 RAONPYOPJPLFID-JOCHJYFZSA-N 403.906 4.846 50 1 HJGF CCOP(=O)(C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587530121 DTDIIRSJSIKGTP-IBGZPJMESA-N 400.839 4.774 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2)N1 587674212 UUKOMOTXAFQZCX-DIFFPNOSSA-N 413.128 4.761 50 1 HJGF CC1(C)O[C@H]2[C@H](O1)[C@H](CCl)O[C@@H]2n1c(Cl)nc2cc(Cl)c(Cl)cc21 253684015 JAGSEXUPXYZVOI-RNJOBUHISA-N 412.100 4.653 50 1 HJGF CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@H](Cl)c1ccccc1 13491819 SGBZEJRVXGMMLP-SFHVURJKSA-N 400.910 4.800 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc(F)c1)CC2=O 587465141 ARAYNARODBKBAU-LJQANCHMSA-N 411.242 4.879 50 1 HJGF COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587505873 QNJOVUCURFUCRB-OAQYLSRUSA-N 419.290 4.969 50 1 HJGF C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)NCCc2c(C(=O)O)cccc21 963120335 GNTCAPLGVFVBRB-SPNVETDYSA-N 418.375 4.726 50 1 HJGF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CBr 1857630861 RAGTVUMXUUZKQW-UHFFFAOYSA-N 414.303 4.653 50 1 HJGF O=C(N/N=C/c1ccc(CSc2nc3ccccc3s2)cc1)c1ccncc1 1857655654 DRENXSQDHUHFLS-YDZHTSKRSA-N 404.520 4.748 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 962952654 VLJOGKUUMGKXRP-XOBRGWDASA-N 414.303 4.639 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 587325027 BNXSIORUPRCFHR-OFNKIYASSA-N 422.843 4.901 50 1 HJGF N#CC(C#N)=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587341381 XEAOXLQIWSWBKI-AZGAKELHSA-N 422.415 4.990 50 1 HJGF COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587449549 PFCQBIXCNODULU-LIRRHRJNSA-N 406.290 4.859 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1F)CC2=O 587467056 PTWDGOBKSGNVIJ-LJQANCHMSA-N 411.242 4.879 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(CCl)c2O)N1 587725012 BADRMJVEFVRMFQ-DYBLOJMWSA-N 416.693 4.969 50 1 HJGF COc1ccc(Oc2c(CCl)cnn(Cc3cccc4ccccc34)c2=O)cc1 73258489 NGFDVEWTLVRXFK-UHFFFAOYSA-N 406.869 4.985 50 1 HJGF CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(F)cc2)c2ccccc2O)cc1 103200918 GIGZPECCFWUOSD-RKOIMNKKSA-N 418.472 4.837 50 1 HJGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(N(C)C)cc1 299859033 VKVOJEPEWZNPQR-JSVDNDDVSA-N 419.352 4.865 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1 587327563 PYITZVAYJVCORN-OFNKIYASSA-N 422.843 4.901 50 1 HJGF N#CC(=C(O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1 1857622655 ZGUQIEVCRPVAOV-UHFFFAOYSA-N 420.513 4.564 50 1 HJGF CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857622996 DCVGANSDLNPXGO-PRZIMVISSA-N 406.950 4.627 50 1 HJGF O=C(CCC[C@H]1OO[C@H]2CCC[C@@](c3ccc(F)cc3)(OO1)O2)c1ccc(F)cc1 58668903 VCLJIWZABVPVGH-FKBYEOEOSA-N 420.408 4.934 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)COC2 587542172 FXQQSLSTJKZGIX-NFBKMPQASA-N 408.837 4.518 50 1 HJGF C=CC[C@H](O)c1ccc(N2CC[C@H](Cl)[C@H]2CCCc2ccc(C(=O)O)o2)cc1 2356705051 RWAMGJIPHJPREV-ZCNNSNEGSA-N 403.906 4.796 50 1 HJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726584 XZGHMLKCVCJREJ-XTZNXHDOSA-N 416.693 4.753 50 1 HJGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2c(Br)cccc12 84652769 BZUFGLWTDUKHDO-NRFANRHFSA-N 420.310 4.886 50 1 HJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O 587541683 CYBFQAGNAOEGRH-WMZHIEFXSA-N 410.853 4.811 50 1 HJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587723778 CEIUMDJXXRPFMN-YPMLDQLKSA-N 416.693 4.753 50 1 HJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccc(CO)cc1 963205355 OKABNLPWHLOXEE-LOSJGSFVSA-N 402.925 4.784 50 1 HJGF CO[C@@]1(C(Br)Br)O[C@@H](C(C)=CCl)CC(Cl)=C1C 2356805415 VIDQQDMZLUDVNZ-MWLCHTKSSA-N 408.945 4.889 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCC2)N1 587673183 LCMVSBXRGAXOAZ-QFYYESIMSA-N 405.149 4.903 50 1 HJGF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@](O)(C#CCCCCl)[C@@]3(C)CC[C@H]12 26003035 ZKYICTSKRHTRLQ-QAGMZRMBSA-N 406.010 4.603 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)O2 587413464 OJONUHKIPBTDPT-OAQYLSRUSA-N 415.946 4.849 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccnc(Cl)c1)CC2=O 587456951 SWKGWHHPWBFXEX-GOSISDBHSA-N 410.695 4.649 50 1 HJGF COC(=O)C(=O)[C@@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587359266 XBPKMELXQNHDSC-SFHVURJKSA-N 409.825 4.679 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)O2 587372362 KRMXNJJSFYMVTE-VWNXMTODSA-N 420.896 4.684 50 1 HJGF CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C 587498023 LWAFYVKLIYGFNN-BZQUYTCOSA-N 423.940 4.962 50 1 HJGF Oc1ccc([C@]2(CBr)NCCc3cccc(-c4ccccc4)c32)c(O)c1 962668757 QUTACPNQXYSJJQ-QFIPXVFZSA-N 410.311 4.549 50 1 HJGF C/C(=N/NC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O 103229010 ATFNCVWMHFTCOK-UWVJOHFNSA-N 402.075 4.616 50 1 HJGF CCCOc1cccc(-c2cc(C(=O)N/N=C\c3ccccn3)c3ccccc3n2)c1 15985946 BZWSQPYXZMPJQF-PKAZHMFMSA-N 410.477 4.850 50 1 HJGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1CC)C(=O)[C@@H](C)Cl 40956333 BTAFNIBINZJHCI-SJORKVTESA-N 401.938 4.531 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc(F)c1)CC2=O 587465139 ARAYNARODBKBAU-IBGZPJMESA-N 411.242 4.879 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C[C@H]2Br 587543218 JZSFHLWMVXRNSX-XQBPLPMBSA-N 423.262 4.569 50 1 HJGF C=C(CC(=O)O)C(=O)CC=C(C)C=C[C@@H](Cl)[C@](C)(Cl)C=CBr 2356512841 GOWQWBXAQSXSLZ-GDBMZVCRSA-N 410.135 4.993 50 1 HJGF O=C(O)c1ccc([C@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OCc2ccccc2)O3)cc1 14164334 SPZTXCRRQUWGEJ-JFTIXFDTSA-N 410.466 4.782 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3 238774190 VORHAOSDGGICSS-VXAMWORUSA-N 420.546 4.513 50 1 HJGF O=C(Nc1ccc(Br)cc1)c1ccc(N(CCCl)CCCl)cc1 49746560 BLKHBMPRDHTKGF-UHFFFAOYSA-N 416.146 4.985 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)O2 587372465 LRWOCCKVEZAYKL-RRMDADRESA-N 422.308 4.598 50 1 HJGF COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416616 BOMNCDCJFPVUIK-UTAGQHFDSA-N 413.901 4.560 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc2cc[nH]c12 587544581 OMVVHUWMDWASEK-XXBNENTESA-N 405.837 4.969 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)ccc2O)N1 587689943 XWFQBUYZFHOEBB-HUTHGQBESA-N 419.121 4.964 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O 587412395 BRARXWWQGFAOLI-LIRRHRJNSA-N 407.691 4.695 50 1 HJGF CCn1ncc(/C=N\NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C 15989780 RTLDHUZZFYWKQK-WGARJPEWSA-N 411.509 4.807 50 3 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2F)N1 587725819 GJRKYVIUVSORMI-ZMZPIMSZSA-N 400.694 4.938 50 1 HJGF O=C(N/N=C/c1ccc(OCc2ccccc2C(F)(F)F)cc1)c1ccc(O)cc1 653875499 AWQFYOHDNCJZLE-LGJNPRDNSA-N 414.383 4.754 50 1 HJGF N#Cc1ccc(/C=N/NC(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1857549502 QFILWQMENLVEBA-MZJWZYIUSA-N 412.880 4.979 50 1 HJGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587417462 KVPIEZOFYPXSBE-KXBFYZLASA-N 407.691 4.730 50 1 HJGF CCOC(=O)[C@@]1(CCCCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687270 ZMVJRDPXJAGQOP-SGTLLEGYSA-N 420.750 4.680 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(/C=C\C=O)c2F)N1 587725370 CVAGHLVAYGBBJS-KKNUJXSZSA-N 406.270 4.737 50 1 HJGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc(Cl)s1 963608370 KVMIVIAPVBARAR-BTDLBPIBSA-N 416.768 4.591 50 1 HJGF COc1cc2c3c(c1)O[C@](CSC#N)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587419683 HTAILIPSXQPPFH-HNAYVOBHSA-N 405.397 4.571 50 1 HJGF C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4 195292200 SPUDBSZURDOOGS-RAORJWIQSA-N 406.906 4.805 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)COC3)N1 587685024 NMRINCLRNFBLOB-WLRWDXFRSA-N 410.714 4.635 50 1 HJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1Br 587461764 YYDDQBAQROVKAT-FPOVZHCZSA-N 417.299 4.534 50 1 HJGF CCOC(=O)[C@@]1(CCCCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687272 ZMVJRDPXJAGQOP-XIKOKIGWSA-N 420.750 4.680 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43871944 NUSHWYGPTNGTTO-DMPQSKKBSA-N 422.949 4.843 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)c2c(c1)COCO2 587549407 ZWHOMWDANQLZSJ-WMZHIEFXSA-N 424.836 4.700 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(F)ccc2F)N1 587717340 KXAWFTPCCKUTOY-HUTHGQBESA-N 404.657 4.883 50 1 HJGF O=C(N/N=C/c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3275557 CLJPDYMKWKWPJY-JVWAILMASA-N 405.457 4.764 50 3 HJGF CN1CC2=C(OC(N)=C(C#N)[C@H]2/C=C/c2ccccc2)/C(=C/C=C/c2ccccc2)C1 40614076 NEBGLXVAIXBTSP-KRGRVWGISA-N 407.517 4.879 50 1 HJGF O=CC1=C(Sc2cccc(O)c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45245571 CRHQOXAKQWFGJX-UHFFFAOYSA-N 424.547 4.539 50 1 HJGF in-vivo O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCBr)C2 473153902 CTOSZAUWENPXGH-HNNXBMFYSA-N 411.299 4.746 50 1 HJGF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262227 GLXWHOSDCHKLKV-FBIMIBRVSA-N 413.368 4.881 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCBr)c(Cl)c1)O2 587375436 SGZXKMARNPAUPM-QGZVFWFLSA-N 410.695 4.711 50 1 HJGF FC1(F)CCC(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 169321452 HRFGJLBKVQVXJF-UHFFFAOYSA-N 413.505 4.855 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2F)N1 587725375 CVWSBYVUBIRIBW-ZKANADHPSA-N 422.100 4.792 50 1 HJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 587327350 PJSOFLNPFXDDMD-ISKFKSNPSA-N 424.855 4.959 50 1 HJGF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C#N)=CO2 587333531 GOOZFHSRGLZOSR-UKILVPOCSA-N 413.404 4.894 50 1 HJGF CCOc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541853 DMZFVXXBVBZUOA-NFBKMPQASA-N 410.853 4.887 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCC2 587543857 LXNYXSPRHPFKGA-ZJSXRUAMSA-N 406.865 4.977 50 1 HJGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3 2356459669 VORHAOSDGGICSS-AMYLDRNJSA-N 420.546 4.513 50 1 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cccc(F)c1 84617700 XTTQPNHKXKNTKH-QFEZKATASA-N 418.497 4.618 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccs1 587614426 SLAXZJNSTUXRCS-VQIMIIECSA-N 417.280 4.706 50 1 HJGF CCOC(=O)[C@]1(CCCCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587683928 IKJLKJFFWQGUSP-KZULUSFZSA-N 420.750 4.680 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O 587462295 XJIPKKFUGPPFNK-QHCPKHFHSA-N 413.901 4.674 50 1 HJGF CC(=CCl)[C@H](Cl)C[C@H](Br)[C@](C)(Br)[C@@H](O)CCl 2356789385 DFPMJUMCRWLQHD-KATARQTJSA-N 417.396 4.643 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1ccc(F)cc1F)O2 587386671 WACQDYNQMCBMPI-PKOBYXMFSA-N 410.258 4.586 50 1 HJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCBr)cc1)CC2=O 587455802 GGNCUNSDMWEULB-IBGZPJMESA-N 405.288 4.825 50 1 HJGF Cc1cccc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)c1 29037238 DZOZBHKOSBUULP-UHFFFAOYSA-N 400.906 4.559 50 1 HJGF COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1 36311292 GWFQWGQGLMRXNV-UHFFFAOYSA-N 411.461 4.608 50 1 HJGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(N(C)C)cc1 169352108 VKVOJEPEWZNPQR-WTGRHJARSA-N 419.352 4.865 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)cc(F)cc1F)([C@H](C)Br)O2 587383088 XGUYPVVMAHDIIV-NIVTXAMTSA-N 414.221 4.639 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N(C)C)cc1)CC2=O 587456523 QADYKJAVCSGEDR-OAQYLSRUSA-N 418.331 4.666 50 1 HJGF CC(=O)c1csc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587846043 GJIWNDVXXHFUGB-VVVCHXIZSA-N 416.743 4.869 50 1 HJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CC(C)(C)O3)C(C)(C)C)c1 103205481 QHPPPCDCWLXZAW-UHFFFAOYSA-N 408.542 4.911 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)O2 587372463 LRWOCCKVEZAYKL-OYMPBJRDSA-N 422.308 4.598 50 1 HJGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371145 DFUZQOCYRWXFNJ-QFIPXVFZSA-N 400.906 4.560 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587414120 SLNTYJBVRISWIQ-AVRDEDQJSA-N 413.311 4.612 50 1 HJGF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCCl)[C@@H]3CC[C@@H]12 26003028 ZKYICTSKRHTRLQ-LBYRQTAISA-N 406.010 4.603 50 1 HJGF Cc1cc(Cl)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)C 103211811 JXGQIRQHOMOHNK-UHFFFAOYSA-N 408.329 4.721 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1 587537621 IYJQOTNWDJTCGB-RXVVDRJESA-N 411.251 4.990 50 1 HJGF O=C(CCl)NCc1cc(Br)cc(C2C3CC4CC(C3)CC2C4)c1O 2356527297 CCINGDWDFZGWAE-UHFFFAOYSA-N 412.755 4.549 50 1 HJGF CCCCOP(=O)(OCCCC)[C@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249377 ZEEFXEKWWFEHRX-QGZVFWFLSA-N 409.379 4.549 50 1 HJGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc(S(F)(F)(F)(F)F)ccc2O)N1 962923217 QGTCLUNBWAFTAH-DZGCQCFKSA-N 413.339 4.877 50 1 HJGF Fc1cc(F)c([C@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cc1F 963112915 XWCPCRRJROOVAC-CWTRNNRKSA-N 414.240 4.902 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(CCl)c2O)N1 587726855 LNSZVYWCVQSDHN-YYSFKGJASA-N 416.693 4.969 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccs2)N1 587849823 WFKRPQQCBYPMNV-PSLIRLAXSA-N 419.157 4.822 50 1 HJGF N#C/C(C(=O)Nc1ccc(Br)cc1)=C(/O)c1ccc(C(F)(F)F)cc1 34493727 RQVQRUCLCZMCDD-PFONDFGASA-N 411.177 4.899 50 1 HJGF CC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 40781766 SXKHQDDEHDYSDV-PGMHBOJBSA-N 420.881 4.895 50 1 HJGF O=C(O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500595 STMVOJYXSULMMH-NRFANRHFSA-N 415.283 4.519 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(F)cc2)N1 587734954 OFERWAQJCSICKF-ZMZPIMSZSA-N 400.694 4.938 50 1 HJGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1 40685160 BJMUBALPANLULR-IASDGEBPSA-N 406.507 4.636 50 1 HJGF CN(C)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499177 LGEYXPHJUTTYCU-JOCHJYFZSA-N 414.343 4.887 50 1 HJGF Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587671668 AABYNXCVZHVYGM-JDNHERCYSA-N 417.116 4.662 50 1 HJGF Cc1ccc([C@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848509 WTBMHHXSFIJSOH-YJYMSZOUSA-N 405.336 4.889 50 1 HJGF COCCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498331 NATNQUKJDICFNH-HSZRJFAPSA-N 401.934 4.730 50 1 HJGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499564 VPOBIEZLSJOSDL-HSZRJFAPSA-N 415.917 4.787 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(F)c2)N1 587724491 IMLJLVXYKNBPBI-XYZCENFISA-N 404.657 4.883 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(F)cc2)N1 587736638 SUOPMBDZKUYKQG-VOJFVSQTSA-N 409.299 4.719 50 1 HJGF C[C@H](Cl)C[C@H](Cl)[C@@]1(c2ccccc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023943 JCZLPKRNKATTIH-STAGFUQPSA-N 403.353 4.608 50 1 HJGF C[C@H](Cl)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29248808 FEWLKRBEOUIQGZ-ZETCQYMHSA-N 401.797 4.968 50 1 HJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1 197281402 FPUQJTFHVBUWPP-DKNXKHEBSA-N 415.603 4.959 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1F)CC2=O 587467055 PTWDGOBKSGNVIJ-IBGZPJMESA-N 411.242 4.879 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccsc2)N1 587852379 GALBZBDIMNMUDA-PSLIRLAXSA-N 419.157 4.822 50 1 HJGF COc1cc2c(Nc3ccc(C(F)(F)F)cc3)nnnc2cc1OCCCCl 103295921 KTPVDHZQMXNIAU-UHFFFAOYSA-N 412.799 4.804 50 1 HJGF CCCC[C@](O)(C(=O)Nc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 5822256 HPXZLDXQNSWURY-VWLOTQADSA-N 417.509 4.607 50 1 HJGF biogenic CCCc1c(O)ccc2c1O[C@](CCl)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587459213 GYCUSJCLFMWJPF-JOCHJYFZSA-N 419.905 4.566 50 1 HJGF O=c1c2ccccc2c(=O)n2n1-c1cccc(c1)CSSCc1cccc-2c1 1626117 TXEVTDQZCNMHBZ-UHFFFAOYSA-N 404.516 4.537 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1c(F)cccc1F)O2 587382683 TXEFHLSSXSPHRR-HKUYNNGSSA-N 410.258 4.586 50 1 HJGF CCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br 586970443 DSSHBTJLSRVZSP-ZDUSSCGKSA-N 420.145 4.975 50 1 HJGF C=CCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323780 UFMZKELGIIFTTR-UYAOXDASSA-N 405.263 4.990 50 1 HJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1 137715859 FPUQJTFHVBUWPP-QAJOGYARSA-N 415.603 4.959 50 1 HJGF Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@@H]3c1ccc(Br)cc1 103184872 XAAUHEMMCXHMIA-GOSISDBHSA-N 419.282 4.552 50 1 HJGF CC(C)(C)c1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009752 QMZYIEVNRSDRCB-IBGZPJMESA-N 408.933 4.981 50 1 HJGF O=C1c2ccc(O)cc2O[C@@](CBr)(CC2CC2)[C@H]1c1ccc(F)cc1 587324409 YTTRPAOOSRFAQZ-AZUAARDMSA-N 405.263 4.824 50 1 HJGF COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](Br)C2 587499683 ULCFFSUSNKICLP-UNMCSNQZSA-N 413.311 4.754 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1 587730575 FXVLUCPQUBRKHG-XUSGNXJCSA-N 408.274 4.570 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccs2)N1 587848651 OZEWBROMNBAYQN-PSLIRLAXSA-N 419.157 4.822 50 1 HJGF COc1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2Br)cc1 2356316690 IDMNTPGQFYVTOQ-UHFFFAOYSA-N 409.283 4.640 50 1 HJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2Cl)CCCO3)C(C)(C)C)c1 29037245 CQEFYAPZQMOYFR-UHFFFAOYSA-N 414.933 4.868 50 1 HJGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 169317341 BYSOUFCDHNRSRF-CXSMSNRLSA-N 424.548 4.857 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](C)Br)CC2=O 587457431 ZJMXYBSVAFIARY-YEJXKQKISA-N 419.315 4.997 50 1 HJGF O=C(CCl)c1c[nH]c([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 963832601 QTZQBFMNDZQSAW-DEOSSOPVSA-N 419.912 4.732 50 1 HJGF CCOC(=O)NN=C(C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356506852 LJXRMMRZNQCIDI-GBOSRWDWSA-N 400.563 4.968 50 1 HJGF CCOC(=O)/C(C#N)=C(/Nc1ccc(Br)cc1)N[C@@H](C)c1ccccc1 98083821 UVAJSUFUVXKJBM-HLAUDOPJSA-N 414.303 4.510 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@H](Br)CC)CC2=O 587449927 CNOMNFMWUVAENH-XLIONFOSSA-N 404.304 4.774 50 1 HJGF CC(=O)c1ccc2c(c1)[C@@H](CCCCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623634 LKTKUQYPEIOFMH-MSOLQXFVSA-N 409.910 4.586 50 1 HJGF C[C@@H](c1cccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)c1)N(C)C 35997366 ZRDZIXJPHJDNOM-FXAWDEMLSA-N 410.649 4.908 50 1 HJGF Cc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 299816822 SXXAMVHDVZZODY-UHFFFAOYSA-N 414.534 4.787 50 1 HJGF CC(=CCc1ccccc1)CCC[C@H](C)C[C@]1(C)C[C@]2(C)OC(=O)C[C@@]2(O)OO1 2356736128 UKQVHATZFXVPJW-GMHONNGPSA-N 402.531 4.877 50 1 HJGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356773306 WMPMZFMYRMBUAX-NLBCRMTASA-N 407.649 4.505 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(F)c2)N1 587726167 VMDWJPUEBGHLCU-VVVCHXIZSA-N 404.657 4.883 50 1 HJGF [C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C 60091486 RVIIZRJMWFSNER-LJCLWVHTSA-N 402.538 4.966 50 3 HJGF in-vitro CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2C[C@@H]1Br 587460139 RSORQMYRVAZLOR-FPOVZHCZSA-N 417.299 4.534 50 1 HJGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CBr)c1ccc2c(c1)CCO2 963231394 QUFIESKGQIWRRT-ZHRRBRCNSA-N 400.360 4.917 50 1 HJGF CCCCCCN1C(=O)/C(=N\NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 40380285 LTEREHVLMFDPHD-ROMGYVFFSA-N 407.558 4.650 50 1 HJGF CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@@H](Br)CC)CC2=O 587449925 CNOMNFMWUVAENH-PXNSSMCTSA-N 404.304 4.774 50 1 HJGF CC(C)=CC(=O)O[C@@H]1C=C[C@](C)(CC=CC(C)(C)O)CC=C(C=O)CC[C@@H]2O[C@]21C 2356461251 ZCZKJKIOPWIFME-WIVXBSKCSA-N 416.558 4.611 50 1 HJGF CC1(C)OC2=C(C[C@H]1Br)C(=O)/C(=N\Nc1ccccc1)c1ccccc12 169444513 GRWHUBSVNGXYDV-KJCFGCQTSA-N 411.299 4.759 50 1 HJGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@H]2O)CCC[C@@H]1C 2356485400 FIJWKNVOCSKASL-XAHYKELJSA-N 416.558 4.554 50 1 HJGF COc1ccc2onc(/C(C#N)=C/c3ccccc3OCCN3CCCCC3)c2c1 40640791 ARFQOTBMHLSLLD-XDJHFCHBSA-N 403.482 4.765 50 1 HJGF CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 42891410 GBLBAHIVOFHODY-DYTRJAOYSA-N 408.590 4.895 50 1 HJGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(Br)cc1 59034369 VKCUIHFHHSDSGR-PFONDFGASA-N 411.177 4.899 50 1 HJGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356481622 WCCVKAYHSCWCEN-WPEXQROTSA-N 404.547 4.944 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc([C@@H](C)NC(C)=O)cc1)CC2=O 587459357 IDATWZCZDDXVTD-QKFKETGDSA-N 415.917 4.641 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CCBr)N1 587674178 UGFRXEYQDUYMCL-XAGWURHQSA-N 405.149 4.903 50 1 HJGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(F)cc1 84587633 PWOPVGGXKCFRAF-AFUMVMLFSA-N 418.497 4.618 50 1 HJGF N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12 169348688 MAPNEGRRFCTBJR-QATBIIFWSA-N 401.897 4.790 50 1 HJGF COC(=O)c1cc2nc(/C=C\CBr)[nH]c2c(F)c1Nc1ccccc1 586973331 HRYLZGGNJDXBHZ-YVMONPNESA-N 404.239 4.640 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CCBr)N1 587672811 IDOWDVYXRHAACQ-SIVJFFJCSA-N 405.149 4.903 50 1 HJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(NC(=O)C3CC3)cc2)N1 962945871 GZASPVOFEHIHGR-XDHUDOTRSA-N 407.945 4.923 50 1 HJGF CC(=O)N1c2ccc([C@]3(CCl)c4ccc(F)cc4C[C@H]4CCCN43)cc2C[C@@H]1C 963094197 BSJFISYPJORYFJ-BXKTYXQLSA-N 412.936 4.626 50 1 HJGF C=C(CC(=O)O)[C@H](O)CC=C(C)C=C[C@H](Cl)[C@](C)(Cl)C=CBr 2356530412 DATQSAPMCPQONA-IJEWVQPXSA-N 412.151 4.784 50 1 HJGF COc1c(F)cccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587508233 UDANWBYSSHQBQJ-NRFANRHFSA-N 419.290 4.969 50 1 HJGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(F)cc1 962375268 RYSXLNMDNDGOQH-FQEVSTJZSA-N 419.363 4.923 50 1 HJGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2CC)C1=O 1857774251 DZJMOSQBZNHXEF-OAHLLOKOSA-N 400.519 4.876 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)COC2 587542182 FXQQSLSTJKZGIX-OFNKIYASSA-N 408.837 4.518 50 1 HJGF COc1cc2c(cc1OC)[C@](CCl)(c1c[nH]c3ccc(F)cc13)N(C)[C@H](C)C2 962644479 YDLPXJJTYQOZBT-MCMMXHMISA-N 402.897 4.683 50 1 HJGF COCCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498332 NATNQUKJDICFNH-QHCPKHFHSA-N 401.934 4.730 50 1 HJGF COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NCc1ccccc1 13675425 JPKVNXGYCSFLGI-HXUWFJFHSA-N 420.900 4.810 50 1 HJGF COc1cc2c3c(c1)O[C@H](c1coc4c(CCl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O 587423658 VDWPKULQTKAUBU-ZSEKCTLFSA-N 417.244 4.683 50 1 HJGF O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CCCCl)OCCO3 58541179 CVURSGDLANERPD-UHFFFAOYSA-N 418.880 4.521 50 1 HJGF COc1cccc([C@H](C)N(C)CCCNC(=O)CCCC[C@@H]2CCSS2)c1 73139268 IEDFSYAYEIZFGF-FXAWDEMLSA-N 410.649 4.908 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)O2 587372461 LRWOCCKVEZAYKL-OSRJUQGESA-N 422.308 4.598 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(/C=C\C=O)c2F)N1 587725590 FEIIPRISYJBCKK-HOGQIHJLSA-N 406.270 4.737 50 1 HJGF C=C(C(Cl)=CBr)[C@H](Cl)C[C@H](O)[C@@](C)(Br)CCl 2356657529 JLMLCMSOCWJUQU-JEZHCXPESA-N 415.380 4.769 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(F)cc2)N1 587735437 PUHCRQKUZIVEDT-ADLMAVQZSA-N 400.694 4.938 50 1 HJGF O=C(Nc1ncco1)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O 29235196 XCQRGMDRYMZNCY-UHFFFAOYSA-N 406.147 4.676 50 1 HJGF CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541248 ABGCRYIHCVYLTR-NZQKXSOJSA-N 411.885 4.926 50 1 HJGF O=C(Cl)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894781 ZSQOEENLJVOLSK-VURMDHGXSA-N 424.686 4.622 50 1 HJGF C[C@@H]1CC[C@H]2[C@@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 38152973 KVHGGKMBZYNYJO-BMTBUKBJSA-N 400.515 4.788 50 1 HJGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 49766393 URVANYBEDIYGPU-UHFFFAOYSA-N 423.494 4.640 50 1 HJGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC3CCC3)c2)c(C(=O)OC)c1 101459860 XAMYELDHYFXKCL-DQRAZIAOSA-N 420.465 4.756 50 1 HJGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1ccc[nH]1 961777906 OUBDBQJLEHDBOU-JOCHJYFZSA-N 401.938 4.648 50 1 HJGF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587236728 YKKRGOBOHRFSPM-NKWVEPMBSA-N 420.201 4.832 50 1 HJGF Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 299847319 BYSOUFCDHNRSRF-OJJQZRKESA-N 424.548 4.857 50 1 HJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccs2)N1 587849825 WFKRPQQCBYPMNV-VFZGTOFNSA-N 419.157 4.822 50 1 HJGF C#CC=C[C@H](Cl)[C@H](OC(C)=O)[C@@H]1CC=C(Cl)C[C@H](Br)[C@H](CC)O1 2356550743 YJTPAUDBSKEZCC-WOYTXXSLSA-N 424.162 4.559 50 1 HJGF CC1(C)O[C@H]2[C@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879458 JAGSEXUPXYZVOI-WUHRBBMRSA-N 412.100 4.653 50 1 HJGF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O 587414911 PQCRWOHXDNNUQN-PYFOHURJSA-N 407.691 4.775 50 1 HJGF CC(=O)SCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370461 WYANYHBHYIBDAX-UYAOXDASSA-N 408.878 4.538 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O 587462294 XJIPKKFUGPPFNK-HSZRJFAPSA-N 413.901 4.674 50 1 HJGF CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587541250 ABGCRYIHCVYLTR-REWPJTCUSA-N 411.885 4.926 50 1 HJGF COc1cc2c3c(c1)O[C@@](CBr)(c1csc4ccccc14)[C@@H](C2)C3=O 587454513 XXNXVGWFZQXYLR-VBKZILBWSA-N 415.308 4.948 50 1 HJGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1OCCBr 95579876 GUQGHSLXSOGCEK-JTDSTZFVSA-N 412.368 4.876 50 1 HJGF CC(=N)/C(C#N)=C(/O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 101849465 SHAMGNYQOVYQDE-BZJDRLCUSA-N 424.913 4.815 50 1 HJGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587500058 YFWSTHVFDNDRQK-QHCPKHFHSA-N 415.917 4.787 50 1 HJGF C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3C)C2(C)C 38939202 ULCGNHFUBLOLRR-YLBNWIERSA-N 412.942 4.598 50 1 HJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12 587692182 ATHNKPYLUWERFH-DGIBIBHMSA-N 419.681 4.819 50 1 HJGF CC1(C)CC(=O)Nc2ccc([C@@]3(CCl)c4ccc(F)cc4C[C@@H]4CCCN43)cc21 963096479 DTCOLPCBIPPVTF-UUOWRZLLSA-N 412.936 4.948 50 1 HJGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1Nc1ccccc1 1857642378 LZCFHAKJXRLMAO-VZCAVXRFSA-N 416.441 4.542 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc2cc[nH]c12 587544578 OMVVHUWMDWASEK-AUSIDOKSSA-N 405.837 4.969 50 1 HJGF C=C(C)[C@]1(CCC(C)=CCCC(C=O)=CC[C@H](O)C2=CC(=O)O[C@@H]2O)CCC[C@H]1C 2356485397 FIJWKNVOCSKASL-CKZJNZIISA-N 416.558 4.554 50 1 HJGF CCCCC[C@H](Br)C1=C(Br)/C(=C/Br)OC1=O 33992036 FTQXIFXRZVUMQY-VQKCLUMFSA-N 416.935 4.772 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cccc1F)CC2=O 587467927 VLQUKWKBOLJHTI-IBGZPJMESA-N 411.242 4.879 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CCl)cc(Cl)cc3c1=O)O2 587374897 KFLHYHNUFUDQGQ-QGZVFWFLSA-N 404.249 4.782 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@H](C)Br)O2 587376680 XUHCIKDANQAFQE-YEJXKQKISA-N 400.316 4.710 50 1 HJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1F 587568395 LIMPRYXOPKLLMZ-UZLBHIALSA-N 420.223 4.676 50 1 HJGF O=C(CCCl)Nc1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857766632 MUDBKZIPAOHJFK-UHFFFAOYSA-N 406.191 4.574 50 1 HJGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4)nc(Cc4ccccc4)c3CC[C@H]12 1911583745 RKLFSSGRLFGJPY-UKPISFLSSA-N 420.516 4.618 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC)c1)CC2=O 587457182 VRTKAUGFXNOGEH-FQEVSTJZSA-N 405.288 4.609 50 1 HJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2)N1 587673891 RFWQYKITKVSHEL-GTNSWQLSSA-N 413.128 4.761 50 1 HJGF CCCCNc1nc(SC)nc2c1cnn2C[C@H](Br)c1ccccc1 40848801 IVTIOPHNRPIWQB-HNNXBMFYSA-N 420.380 4.896 50 1 HJGF Cc1ccc(C(=O)Cn2c(-c3ccccc3)c(/C=N/NC(N)=O)c3ccccc32)cc1 103224031 LUOXEPDWNRWULY-JFLMPSFJSA-N 410.477 4.502 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCO3)N1 587682843 DWQAYJZGGOXIJB-WYRIXSBYSA-N 410.714 4.540 50 1 HJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726585 XZGHMLKCVCJREJ-YPMLDQLKSA-N 416.693 4.753 50 1 HJGF C[C@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@](O)(c2ccccc2)CC12CC2 8019450 FNLHLKPQZWPTTK-RLWLMLJZSA-N 417.489 4.678 50 1 HJGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCCC1 13491836 CELOTMPEJNSZJQ-LJQANCHMSA-N 412.921 4.578 50 1 HJGF CC(C)[C@@]12C=C3CC[C@H]4[C@](C)(CCC[C@@]4(C)COC(=O)CCC(=O)O)[C@@]3(CC1)OO2 2356457826 ADFNVLJQSYGXIL-HVURCESRSA-N 420.546 4.817 50 1 HJGF CCO[P@@](C)(=O)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1 68592407 CLQBXWXPCSGSIW-AREMUKBSSA-N 400.351 4.564 50 1 HJGF biogenic CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1Br 587461765 YYDDQBAQROVKAT-PZJWPPBQSA-N 417.299 4.534 50 1 HJGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CBr)c1ccc2c(c1)CCO2 963231391 QUFIESKGQIWRRT-OPAMFIHVSA-N 400.360 4.917 50 1 HJGF C/C(Cc1nsc(Nc2ccc(Cl)c(Cl)c2)n1)=N\NC(=O)c1ccccc1 82052286 UKQGISJNONJQKE-FOKLQQMPSA-N 420.325 4.937 50 1 HJGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2ccc3ccccc32)n1 36184571 XUOJFEIUHMVASM-OQKWZONESA-N 410.506 4.953 50 1 HJGF C=CCOc1ccc2ccccc2c1/C=N/NC(=O)CCn1c(C)nc2ccccc21 96929706 WJKXZNZHZLXDND-YZSQISJMSA-N 412.493 4.603 50 1 HJGF C[C@@H]1CC[C@H]2[C@H](CCCCc3ccccc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103198831 KVHGGKMBZYNYJO-XRGYZVTESA-N 400.515 4.788 50 1 HJGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCBr)c(Cl)c1)O2 587375435 SGZXKMARNPAUPM-KRWDZBQOSA-N 410.695 4.711 50 1 HJGF COc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497439 CHXBCKXMLHVYSG-OAQYLSRUSA-N 401.300 4.830 50 1 HJGF COC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587496507 DMQOGSILYIIKII-FATZIPQQSA-N 415.917 4.785 50 1 HJGF N#CC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551736 JDAGLDNGRYSCJB-NZQKXSOJSA-N 417.804 4.703 50 1 HJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1 587690185 ZZZDYLYRIQHTEV-XCJKDKRRSA-N 422.729 4.870 50 1 HJGF COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2ccc(C(=O)Cl)o2)c1C 587902294 CDGYRWAHVMUWAB-UHFFFAOYSA-N 403.265 4.582 50 1 HJGF CN(C)c1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccccc2)cc1 2356543097 DXACKJHMXXTRCS-UHFFFAOYSA-N 409.489 4.794 50 1 HJGF CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372969 OMAKWKPRAJMJMW-PEBXRYMYSA-N 400.906 4.804 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccnc(Cl)c1)CC2=O 587456952 SWKGWHHPWBFXEX-SFHVURJKSA-N 410.695 4.649 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1Cc3ccccc31)CC2=O 587457352 XVVBQNUROUXMDE-DYESRHJHSA-N 401.300 4.784 50 1 HJGF Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1 98082103 SGHNNZZOCOOHOF-MRXNPFEDSA-N 414.362 4.557 50 1 HJGF O=C(NN=Cc1ccccc1Cl)c1cc(Cl)ccc1C(=O)NC1CCCCC1 472791598 NMWYGVCPXIKEME-UHFFFAOYSA-N 418.324 4.820 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1 587538277 OPRIIVACCJVUQL-RXVVDRJESA-N 411.251 4.990 50 1 HJGF CC(=O)c1ccc2c(c1)[C@H](CCCCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623639 LKTKUQYPEIOFMH-ROUUACIJSA-N 409.910 4.586 50 1 HJGF C[C@@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)NCCc2cccc(-c3ccccc3)c21 962659328 BTLHLQSVWHGBMQ-CPJLOUKISA-N 418.924 4.701 50 1 HJGF FC(F)(F)C(F)(F)[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963114117 WODXXQXUBHEAKB-SNVBAGLBSA-N 413.011 4.927 50 1 HJGF COc1ccc([C@@H]2[C@H](C)C(=O)C[C@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1 299858062 PYGXSBPWUVWILT-GIWSNZPPSA-N 406.309 4.807 50 1 HJGF Fc1cc(F)c([C@@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cc1F 963112913 XWCPCRRJROOVAC-BLVKFPJESA-N 414.240 4.902 50 1 HJGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621457 VDWFBLGCEKKHPF-UHFFFAOYSA-N 403.667 4.651 50 1 HJGF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262226 GLXWHOSDCHKLKV-DVVUODLYSA-N 413.368 4.881 50 1 HJGF CCOC(=O)[C@]1(CCCCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687269 ZMVJRDPXJAGQOP-KZULUSFZSA-N 420.750 4.680 50 1 HJGF Cc1cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1-c1cccc(F)c1 963126011 VJELYSNVVSVVEB-QHCPKHFHSA-N 412.892 4.560 50 1 HJGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1ccccc1Cl 29037312 NECNRGSNFLVMPK-UHFFFAOYSA-N 421.324 4.904 50 1 HJGF CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)CC2=O 587462443 OUSTUBVZAVNGHV-DHPXZPKMSA-N 410.901 4.828 50 1 HJGF CC(=O)N[C@@H](C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496729 DYQHJSHVLWMXBA-IZHWHUGBSA-N 411.929 4.862 50 1 HJGF CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C 587498027 LWAFYVKLIYGFNN-MQNRADLISA-N 423.940 4.962 50 1 HJGF CC(C)=CCC/C(C)=C/CO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 299865384 NPMPDIFJBRATPN-HLVCCSBSSA-N 413.326 4.919 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2CCBr 587539864 YFAXKNWHGYGJCQ-ROOHIHILSA-N 403.272 4.678 50 1 HJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccsc1 587619733 USBLHNHNHOOPRD-QFBILLFUSA-N 417.280 4.706 50 1 HJGF COC(=O)c1cc2nc(/C=C/CBr)[nH]c2c(F)c1Nc1ccccc1 586973330 HRYLZGGNJDXBHZ-VMPITWQZSA-N 404.239 4.640 50 1 HJGF Cc1ccc(/C=C(\C#N)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 587188401 RLVFENIZXFZGLO-IZZDOVSWSA-N 418.092 4.856 50 1 HJGF CCOC(=O)[C@@H](Br)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587898335 IYKCOCBBGUAQLX-SFHVURJKSA-N 407.691 4.748 50 1 HJGF CC(C)(C)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009763 RFNYWSISQDJSGF-FQEVSTJZSA-N 408.933 4.981 50 1 HJGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)CC2=O 587460564 UJWRIDVGSPXYOX-IPQOISQHSA-N 403.906 4.980 50 1 HJGF Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1[C@@]1(C)c2cccc(Br)c2CCN1C 963279337 HKXNKCRRLXENKE-MPBGBICISA-N 423.782 4.955 50 1 HJGF CC[C@H](C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1 13675563 UDDYZKUDMQCGFA-LIRRHRJNSA-N 412.921 4.941 50 1 HJGF O=C(N/N=C\c1ccc(Cl)cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 103277840 YOEGEAQQQYSKNS-OPVMPGTRSA-N 418.255 4.546 50 1 HJGF COc1ccc2nc3ccccc3c(NCCCN(CCCl)CCCl)c2c1 5888248 RSVUKAJFXIQJIA-UHFFFAOYSA-N 406.357 4.978 50 1 HJGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC(C)C 72109048 LXHOXYJCLDXORY-ZMOGYAJESA-N 423.538 4.581 50 1 HJGF CCOc1ccc(/C=N/NC(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1857646469 IRGNAAOUERYIDN-PCLIKHOPSA-N 410.514 4.505 50 1 HJGF CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415430 SCFMRWTXUJCJTG-BLIXFSHQSA-N 417.299 4.520 50 1 HJGF O=C1/C(=C/c2cccc(F)c2)CN(C(=O)C(Cl)Cl)C/C1=C\c1cccc(F)c1 1911575466 MVGZLTHHQBVDBN-BGPOSVGRSA-N 422.258 4.647 50 1 HJGF O=C(O)c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1O 1857558718 SHFBNEUZDNETAB-UHFFFAOYSA-N 400.471 4.575 50 1 HJGF O=C(O)c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 72114766 UEJJZZBURNQCCJ-UHFFFAOYSA-N 400.471 4.801 50 1 HJGF COc1ccc(/C=C/C(=N\NC(=O)Nc2ccc(F)cc2)c2ccccc2O)cc1 103200915 DHKXDXGUFHKUPF-RGBKKPBFSA-N 405.429 4.779 50 1 HJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C#N)s1)CC2=O 587493331 FXTWKGACAPPTFT-GOSISDBHSA-N 406.301 4.533 50 1 HJGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587687726 HLJKHVJXJKAPQE-CWTRNNRKSA-N 412.730 4.927 50 1 HJGF