smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc(C)cc3)CC2)cc1 15727940 LBNOLRLIHOFWHR-UHFFFAOYSA-N 469.541 4.965 10 10 JJCE Cc1cc2c(cc1C)-n1c(-c3ccccc3F)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1ccccc1O)N2 15859023 SRYFPYCALZYCBR-XMMPIXPASA-N 496.542 4.671 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 20236398 OKPURSJSWAJSFW-KGUZRTJLSA-N 488.378 4.865 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 96482351 HAGZJDMEJYFDND-PFOSVVTISA-N 499.936 4.865 10 10 JJCE C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C1 257638945 OJHUCMZUWKAURM-HXUWFJFHSA-N 476.598 4.633 10 10 JJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccc2c(c1)OCCO2 526158090 LXIHKEPLQLJBEN-JOCHJYFZSA-N 451.862 4.580 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526376666 KGZCYSFISMZTSU-RUZDIDTESA-N 493.512 4.580 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CC[C@H](C3)N4Cc3ccccc3)ccc(N)c2C1 717422740 YLJMGKRKDBJROZ-FCHUYYIVSA-N 462.638 4.805 10 10 JJCE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)o2)ccc1Br 1084512729 NHIVTTDZHDZFBE-ATVHPVEESA-N 467.344 4.849 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc([N+](=O)[O-])c1O 1860087393 UGKPMZSKSNGMBB-RIYZIHGNSA-N 456.423 4.734 10 10 JJCE CC(C)Oc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860599824 KQSXFFOTYRSFOS-UHFFFAOYSA-N 496.563 4.740 10 10 JJCE CC1=NN(Cc2ccccc2F)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865672398 APMFOPVNSQYROI-VGOFMYFVSA-N 468.120 4.858 10 10 JJCE CCOC(=O)c1c(NC(=O)CC2CCS(=O)(=O)CC2)sc(C)c1-c1ccc(Cl)cc1 1866195391 BULIGULDZQWSLL-UHFFFAOYSA-N 470.012 4.707 10 10 JJCE CC[C@@](C)(NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840768 IQLLVWSXGSSQFN-CQGGRAHPSA-N 486.543 4.703 10 10 JJCE CC(C)OCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870986830 NXDOQOUXEJEMDV-UHFFFAOYSA-N 487.604 4.974 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c([N+](=O)[O-])c1 1873422003 AYXVUUADCCTFCZ-UHFFFAOYSA-N 456.502 4.665 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423831 HVKFXCJHOXXOTC-SFHVURJKSA-N 485.584 4.800 10 10 JJCE Oc1cc(Br)ccc1Cn1nc(C2CC2)c(C2CC2)c1I 2079789235 JCCWEQMTHOZTJD-UHFFFAOYSA-N 459.125 4.759 10 10 JJCE Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1C 2296048063 UZMNVPNLAOXOMX-UHFFFAOYSA-N 497.551 4.982 10 10 JJCE CN(C1=NC(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)S1)c1ccc(Cl)cc1 2297368313 ZYYXUNBKFZDOFO-UHFFFAOYSA-N 462.756 4.556 10 10 JJCE CS(=O)(=O)Oc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 3000529 XSXQVUANGUNMPQ-RIYZIHGNSA-N 460.385 4.738 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 8634701 CFAMJPWNSWVSFI-XMMPIXPASA-N 480.362 4.507 10 10 JJCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc1 16907850 RCSTXQGEIYXEAQ-LFIBNONCSA-N 464.362 4.708 10 10 JJCE Cc1cccc(C)c1N1CCN(CN(O)C2=NC(=O)/C(=C\c3ccccc3C(F)(F)F)S2)CC1 83328120 HZLCXVASBAUISY-XSFVSMFZSA-N 490.551 4.763 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccccc12 103040862 YLMNXHHDSBZAQA-KGENOOAVSA-N 467.591 4.647 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NC2CC(C)(C)NC(C)(C)C2)cc1 205963008 ZCSPWXDVKAQKQU-HAVVHWLPSA-N 491.592 4.527 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226685437 FWGYBNNNXZIFLU-RNHFSVANSA-N 454.592 4.792 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526381081 FJHZBWFHYXQQIM-AREMUKBSSA-N 490.556 4.844 10 10 JJCE Cc1occc1C(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 727465242 XLJZUNRTTRTSMI-XMMPIXPASA-N 485.544 4.530 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCC 1084496946 VRZYLGRPPPALHC-YBEGLDIGSA-N 487.350 4.530 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1OCC 1858589434 QIBXJYPVROXPNV-FYJGNVAPSA-N 457.573 4.657 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(C)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860760876 GNFPSXIZLGSFHQ-UHFFFAOYSA-N 450.560 4.690 10 10 JJCE CC[C@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255333 VTLVFAIAUVQAMB-LJAQVGFWSA-N 487.600 4.735 10 10 JJCE CCN(CC)c1cc(C)c2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866472597 HFJYWADZRIMBQX-UHFFFAOYSA-N 479.536 4.710 10 10 JJCE O=C(Cc1csc(COc2ccccc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868163989 TXBNYMWIRMUKNX-UHFFFAOYSA-N 454.507 4.679 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873167887 BWCWDMQKUANJSG-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE Cc1cccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)S3)CC2)c1 2053493284 MEDFDWLOYUPXLV-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2079027218 QCNPMTGKNCEFEX-QGZVFWFLSA-N 450.320 4.755 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2079857214 YSHDAWZFZOQJFM-CQSZACIVSA-N 486.350 4.676 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080003586 OPBVSDIKAJYWDT-KRWDZBQOSA-N 481.378 4.596 10 10 JJCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2163165807 UGMZINFWYRBUSE-OAQYLSRUSA-N 474.646 4.692 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 2297352614 GMFBJGRCCXAIOT-UHFFFAOYSA-N 489.601 4.515 10 10 JJCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 2297453964 NWGKYABUIMETSA-UHFFFAOYSA-N 486.174 4.596 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2297499739 YSPVMOZUDSVJQF-UHFFFAOYSA-N 481.936 4.955 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 2323752402 BETDFQFTPGJPGQ-UHFFFAOYSA-N 454.617 4.644 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)CC2)cc1 9505151 XBCWIGHHVAPRPT-UHFFFAOYSA-N 473.960 4.615 10 10 JJCE Cc1cc(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1ccccc1 11085320 PFQKYKSSOXLBLL-UHFFFAOYSA-N 474.630 4.562 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 16919576 ACVJQOKISVYATP-WOJGMQOQSA-N 463.964 4.998 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@@H]4CCCC[C@H]4C)c4ccccc4n3)CC2)cc1 23428381 RFWXZZJVOSPDCL-CJFMBICVSA-N 458.606 4.879 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1nccs1 33344660 ZUXNIMGWYCBTBS-JLHYYAGUSA-N 468.423 4.526 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)cc1 33386400 SHRMOZAZWBMKDM-LDADJPATSA-N 484.386 4.780 10 10 JJCE Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33525509 CZGQMOCUQFEQNZ-UNOMPAQXSA-N 480.615 4.742 10 10 JJCE CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)c1cccc(F)c1 37403575 QHCAXAFKNRHPDN-GOSISDBHSA-N 464.603 4.841 10 10 JJCE COc1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)c(C(=O)O)c3)CC2)cc1 64590282 GFBRRHSOXYINNT-UHFFFAOYSA-N 465.937 4.626 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 210672316 YXUPQDWQPQOLOQ-MHWRWJLKSA-N 452.479 4.554 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(Oc3ccccc3F)nc12 213189215 LYJGANNWQPBJQZ-WQRHYEAKSA-N 469.563 4.792 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21 250210652 LJRSBYDULWTWGI-JAOIYPECSA-N 469.379 4.890 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 526525277 DMKVAXQRUSDMHD-JOCHJYFZSA-N 465.889 4.985 10 10 JJCE COc1ccc(C(=O)OC[C@@H]2O[C@@H](Sc3ccc(Cl)cc3)[C@@H](N=[N+]=[N-])[C@@H](OC)[C@@H]2OC)cc1 575449064 NFRJPKMYWLHCHI-WXOXAHCZSA-N 493.969 4.732 10 10 JJCE O=C(Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1)NC1CCCCC1 1860509159 PXGYWGQIXPCBGU-UHFFFAOYSA-N 468.513 4.564 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NC(C)(C)C)sc(C)c1-c1ccc(Br)cc1 1860758220 HBRYQHLZRUWUCG-UHFFFAOYSA-N 467.385 4.516 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2)c1 1872885623 KVLPTYSYAKLAIF-JXMROGBWSA-N 454.618 4.836 10 10 JJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873419799 CPKRLKZSOBPRQU-UHFFFAOYSA-N 497.595 4.944 10 10 JJCE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2079034212 IRQWPLVGQUXVAO-ZDUSSCGKSA-N 456.324 4.585 10 10 JJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106872760 VVVNMGBKSAJFKX-LOSJGSFVSA-N 452.643 4.573 10 10 JJCE CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1cc(C)n(-c2cccc(Br)c2)c1C 2293215242 LDTSRRVLXMZWAL-UHFFFAOYSA-N 487.394 4.566 10 10 JJCE CCc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 2293591276 FQWUBEJGCBPIAQ-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 2314509163 SRFVLIQOKMVZEY-UHFFFAOYSA-N 451.573 4.633 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O 2323750221 UODYVRXVHAQSEF-UHFFFAOYSA-N 454.342 4.704 10 10 JJCE COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)CC2)cc1 8611121 CHWMWCOQPMIZIP-UHFFFAOYSA-N 498.627 4.564 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)ccc1OCC(=O)O 16915703 IDPZKZAUOWRWRG-KGENOOAVSA-N 486.615 4.801 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc2ccc(Cl)cc2s1 39874981 APPSQMKMQFCNTD-QPEQYQDCSA-N 452.007 4.851 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 103992710 IXRYPTJEIISHGI-OQLLNIDSSA-N 464.161 4.942 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)NCc1ccccc1 210689113 PQOVNGJZFOLLTG-PXLXIMEGSA-N 460.580 4.997 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084626766 XFVWJHMTPQFTTC-OCKHKDLRSA-N 498.322 4.766 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5ccn(C)c5c4)c4ccccc34)[C@H]21 1860347361 LBRLKXHFSQNKAA-LJAQVGFWSA-N 489.579 4.919 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864009796 DZQASGRAXYMIAR-NRFANRHFSA-N 496.995 4.500 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868705368 IZJXRVUYCMTTBW-IZZNHLLZSA-N 483.628 4.598 10 10 JJCE CCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871586825 LEIHXKMGMIHTRV-UHFFFAOYSA-N 489.668 4.927 10 10 JJCE COc1cc(C)ccc1OCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1Cl 2297314554 HZAPEROPZCEFGY-UHFFFAOYSA-N 469.950 4.892 10 10 JJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1C(=O)c1ccc(Cl)cc1 2297578819 LYMKFICUPQDVOH-UHFFFAOYSA-N 485.755 4.986 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc1 2314836566 GTXWERUMEHAWAP-UHFFFAOYSA-N 476.664 4.727 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S)c1ccc(OCc2ccccc2)cc1 2314929887 UBRXIMALMRPWKP-UHFFFAOYSA-N 490.562 4.510 10 10 JJCE Cc1ccc(O)c(C=C2SC(=S)N(c3ccc(I)cc3)C2=O)c1 2321616839 INFOTVXJNPJDDX-UHFFFAOYSA-N 453.326 4.711 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1 33417274 NEYVBMUUOAMYOR-VTDKPVKJSA-N 464.547 4.572 10 10 JJCE CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)c1cccc(F)c1 37403578 QHCAXAFKNRHPDN-SFHVURJKSA-N 464.603 4.841 10 10 JJCE O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1Nc1ccc(/N=N/c2ccccc2)cc1 40623026 UOJUUINLDUMWCE-ZQHSETAFSA-N 462.514 4.678 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 95471534 MJBHSSASJKNIBZ-QNGOZBTKSA-N 496.976 4.868 10 10 JJCE Cc1cc(C(=O)COC(=O)/C=C\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OC(F)F)cc1 97656098 AWMJWOSARJBVBH-WMZJFQQLSA-N 469.440 4.864 10 10 JJCE COC(=O)C1CCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])CC1 256017937 QYPHKCXSRTUEDN-UHFFFAOYSA-N 461.482 4.933 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526188038 DZJXMWFCZIXZJS-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526386691 CPLJYXLVKSXRAK-MUUNZHRXSA-N 498.627 4.570 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526393257 FZCNKFXBXWBIEN-RUZDIDTESA-N 457.530 4.777 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526447672 QKEIHVQXFPNBAB-VWLOTQADSA-N 477.513 4.879 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Br)c1 1084038858 VTSVVFFJGSEYOO-JAIQZWGSSA-N 482.309 4.662 10 10 JJCE CCN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)N(CC)C1=S 1088699385 NVHKCAWKCLRVGC-UHFFFAOYSA-N 456.873 4.998 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1O 1655048233 YGONOCJDGQKAJE-HIFRSBDPSA-N 451.586 4.576 10 10 JJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705653339 FQBWYKPGJDUGIE-VXKWHMMOSA-N 476.694 4.638 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCC(C)C)[C@H](C)C1 1749846064 FGHHGGWYIFQUHD-OAQYLSRUSA-N 494.709 4.799 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4c(F)cccc4Cl)CC3)cccc21 1860590406 ZOEOFHXWSJJHJE-UHFFFAOYSA-N 490.918 4.745 10 10 JJCE CCC[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862157448 MOMGKHGSIAJPQZ-ACMCKPEYSA-N 490.431 4.649 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CC[C@@H](C)C2 1865923055 INGJECASLRMWAK-ZIAGYGMSSA-N 491.009 4.703 10 10 JJCE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccc(Cl)n1 1866565231 AGCJAUWMPNLMDJ-XMMPIXPASA-N 495.922 4.620 10 10 JJCE CCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166875 ZVGODSCIBSYMQG-UHFFFAOYSA-N 457.574 4.773 10 10 JJCE COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)Nc1cccc(N(C)C)c1)CC2 1873896047 WJGFQAXVGWYBCQ-UHFFFAOYSA-N 474.561 4.612 10 10 JJCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 1892006275 XZDDQRSTKBDVSC-UHFFFAOYSA-N 468.387 4.827 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080052041 HUXVPUPYSCHENC-QGZVFWFLSA-N 451.361 4.833 10 10 JJCE COc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 2297346654 DUWUSGRFNDJBTR-UHFFFAOYSA-N 461.934 4.807 10 10 JJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1 2313549174 OZCYLFVEKIRHDL-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 2313681717 LQKWVAJPBDSBGT-UHFFFAOYSA-N 480.615 4.526 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414314 VUNSPPXFKQUZNJ-OAHLLOKOSA-N 456.637 4.747 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 59396424 JBNWSSBKZRGULN-RIYZIHGNSA-N 468.815 4.579 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)c(C)n1-c1cccc(Cl)c1 109941799 FCYYLMQSIHNQLO-FQEVSTJZSA-N 464.997 4.697 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 210743461 NHOZGJMMHCYKLG-RCCKNPSSSA-N 486.615 4.897 10 10 JJCE COc1ccc(N(C)CN2C(=O)/C(=C\c3ccc(I)cc3)SC2=S)cc1 1083924024 CNUPCHBDZJVMMY-GZTJUZNOSA-N 496.395 4.595 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c1O 1167734902 QHMJMOBLHLUJOX-UHFFFAOYSA-N 452.938 4.936 10 10 JJCE C/C(=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cccc(C(F)(F)F)c1 1458014917 BBUZPUWAZDXHGF-CYVLTUHYSA-N 457.540 4.957 10 10 JJCE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCNCc1cc(C)ccc1O 1860713871 RPCBPYJUJWXSPN-UHFFFAOYSA-N 491.588 4.869 10 10 JJCE CCCC[C@@H](NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904412 DOAVJIMGPKZWLP-AREMUKBSSA-N 473.617 4.794 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862280948 BZWHTJBAVXPHCF-RUZDIDTESA-N 465.638 4.630 10 10 JJCE CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 1865667803 QCNVJGQEOBGAGQ-LCYFTJDESA-N 484.272 4.990 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678271 CASAVNMQUXFOJE-LPYMAVHISA-N 476.504 4.690 10 10 JJCE COC(=O)COc1cn(Cc2ccccc2F)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874285 WDZGUJPSUQQZOE-UHFFFAOYSA-N 487.531 4.943 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873168325 RHARWEKTBSBTIP-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(F)c(F)c4F)cc3)CC2)cc1 1874755061 VCGWYSQUTJHPDH-UHFFFAOYSA-N 497.517 4.760 10 10 JJCE CC[C@@H](C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951901137 IJAFVCIBUGTJED-HXOBKFHXSA-N 461.514 4.658 10 10 JJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079845806 UXLXIGMZOGAIOL-CYBMUJFWSA-N 498.239 4.554 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080033116 IRFPGQDQYUYXQN-JTQLQIEISA-N 482.240 4.615 10 10 JJCE CCN(CC)c1ccc([C@@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2163144794 AJVALHJSJXCELE-NAKRPHOHSA-N 466.670 4.963 10 10 JJCE CCN1C(=O)C(=Cc2cccc(OC(=O)c3ccccc3I)c2)SC1=S 2293239078 UFMDUGCOCPGFQX-UHFFFAOYSA-N 495.363 4.732 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 2294133749 HACHFKWORIJIAH-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE Cc1ccc(OCCOCCOc2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1 2296660078 CRWRZVRAVNSDIE-UHFFFAOYSA-N 492.601 4.745 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc(OC)c3)c(Br)c2)SC1=S 2297364062 BBWPHPDJRUCWES-UHFFFAOYSA-N 478.389 4.898 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 2297512468 MJBHSSASJKNIBZ-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4cccs4)SC3=S)sc2c1 2314563175 PCNZDFPBBULWBF-UHFFFAOYSA-N 461.615 4.596 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141138 JWTLCJWMJTVXIP-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE COc1ccc(/N=N/c2ccc(C(=O)OC[C@H]3O[C@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@@H]43)cc2)cc1 32603310 RHNFEUWGIMSCRG-RELRSORRSA-N 498.532 4.664 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=S 40928333 IQZYGDJIWZODCL-RGEXLXHISA-N 451.610 4.807 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OC(C)C 40939955 KVDFGGKIFPFFPQ-WQRHYEAKSA-N 462.980 4.682 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@@H](c3ccc(OC)cc3)C2)cc1 206363154 YJNZDUMLURBCKI-RZZUAFPKSA-N 470.554 4.920 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C(C)=O)[C@@H]1c1ccc(O)c(O)c1 526614417 GXGQBBRFEHZKPE-XMMPIXPASA-N 475.497 4.765 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)Nc2nncs2)C1=O 1081155577 XYCZGLZFQCNWMD-KDOCSACZSA-N 458.634 4.885 10 10 JJCE CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1084193961 RZXUILXJRLFVMT-AQTBWJFISA-N 465.303 4.667 10 10 JJCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@]32CCC(=O)NCc2cccnc2)cc1 1614975397 ZMBNSMGNAGOMJJ-FFDQPCAYSA-N 492.708 4.670 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)N(C)C)cc1 1858594302 TWJUFIDSFTUFBC-LSCADSNKSA-N 477.449 4.962 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4cccc(Cl)c4Cl)SC3=S)ccc21 1860087501 BRPSIVPVXLKDIE-VIZOYTHASA-N 451.356 4.754 10 10 JJCE CCOC(=O)c1c(NC(=O)c2csc3ncn(C)c(=O)c23)sc(C)c1-c1ccc(F)cc1 1860402403 RGNVWYSDRXCDFN-UHFFFAOYSA-N 471.535 4.600 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)c1 1860893875 PUHCPQLLEBIPEH-HSZRJFAPSA-N 456.590 4.856 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2)c1 1860905056 JRRFCCNZGWYECD-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864011587 VXJJEZAQPLPHMS-QHCPKHFHSA-N 490.604 4.627 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3cc(Br)ccc3n2)N2CCCCC2)cc1 1866167042 MWABAZKTJULABX-RUZDIDTESA-N 495.465 4.949 10 10 JJCE CCOC(=O)CCOc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870875849 OCSQYJVFPCDKIT-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2040480786 ZCQMNKWUGCZPDG-LBPRGKRZSA-N 486.354 4.773 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079956350 FJPPLTLWSVODIF-GOSISDBHSA-N 470.351 4.966 10 10 JJCE CN[C@@H](c1ccc(N(C)C)cc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2106848572 KFHDLTKXXLZDIR-RPLLCQBOSA-N 453.627 4.857 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296716246 QCBFKVSZXSOKBH-UHFFFAOYSA-N 494.642 4.707 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1 6456241 XPJYRAFAIHQQMO-FYJGNVAPSA-N 460.559 4.781 10 10 JJCE COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 13110866 LKYBOTWSOCNPPH-RSPUHVBCSA-N 463.559 4.937 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 13298054 GYERXLZTPNRLGL-KGENOOAVSA-N 492.557 4.758 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33345349 YNVVEZZFZLTWCU-XMHGGMMESA-N 468.648 4.527 10 10 JJCE Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=N)N2N=C(c3cccs3)SC2=NC1=O 102446883 XOTYHMVGWQLTCY-NONNEFQTSA-N 452.952 4.563 10 10 JJCE COc1cc(NC(=O)c2ccccc2)c(OC)cc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 103481664 FDIATPXKEPTYMM-CAPFRKAQSA-N 456.502 4.675 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 213156249 YWOHPFKGXUUOHT-KAECEXQPSA-N 455.536 4.626 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526611948 ZWVCYPAGAOFJET-RUZDIDTESA-N 475.497 4.765 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@](C)(CC)O1 1705622902 YTFOHSQDKAAMEG-YWEHKCAJSA-N 475.637 4.786 10 10 JJCE CC[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866948357 FLGUZQSSIWWROK-QAPCUYQASA-N 474.944 4.752 10 10 JJCE CC[C@@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854671 ZUGCCCKTROHFGR-KAYWLYCHSA-N 479.665 4.802 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4cccc(C(C)(C)C)c4)ncc3[N+](=O)[O-])CC2)cc1 1871308622 TUOLORKFUMFHGM-UHFFFAOYSA-N 462.554 4.761 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873167904 CFEGULGUOQPCOF-GOSISDBHSA-N 459.565 4.944 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420122 GUMPWHXUNDMAPU-UHFFFAOYSA-N 483.572 4.587 10 10 JJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951856528 QEXZZHCMGFKVLU-HSZRJFAPSA-N 476.485 4.991 10 10 JJCE CC(C)(C)OC(=O)NCC1CC(F)(CNCc2cc(Cl)cc(Br)c2O)C1 2115637257 DMVAKAVLSVMLFI-UHFFFAOYSA-N 451.764 4.541 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 2294229444 UJMGOSLYIWJDNA-UHFFFAOYSA-N 481.371 4.832 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1ccc(Cl)cc1Cl 2296598184 AXKXSSIGZMOKKZ-UHFFFAOYSA-N 488.302 4.679 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 2313557808 MJONPMXISIQQSC-UHFFFAOYSA-N 455.848 4.692 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCC)nc3ccccn3c2=O)SC1=S 2314414932 RGRSLFYIYQVWIW-MRXNPFEDSA-N 458.653 4.934 10 10 JJCE CN(C)c1ccc(C=C2SC(=O)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 2314436778 BMGGBZAFZSPZJE-UHFFFAOYSA-N 474.380 4.580 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OCC)c3)SC2=S)cc1 2314935492 POLURYRVYWAEQQ-UHFFFAOYSA-N 473.572 4.743 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)N(C)C)cc1 2323880179 ZVTMQHQJHPRBEC-NRFANRHFSA-N 456.633 4.987 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(Br)cc2O)[C@H]1C(F)(F)F 2370312507 NAYDIQGFOAKKKT-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1176590 NYWCPVQJHAZTNW-UVTDQMKNSA-N 488.308 4.993 10 10 JJCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc2N(C)C1=O 11857626 DKCFBQWRHCXOCG-SNVBAGLBSA-N 484.386 4.661 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479319 KGINYTSOXMATQC-WOVHNISZSA-N 468.619 4.951 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(Cl)cc1 15039470 MPYPAHVZDQLWNT-ATVHPVEESA-N 461.952 4.868 10 10 JJCE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(C)cc2O)c1 15834220 TUDYTGNCYQNBAC-DEOSSOPVSA-N 478.552 4.532 10 10 JJCE O=c1c2cc(I)ccc2nc(/C=C\c2cccnc2)n1CCc1ccccc1 33462349 MYJQGLVWKYLKMV-FLIBITNWSA-N 479.321 4.809 10 10 JJCE CCOc1ccc2c(c1)SC1=NC(=O)/C(=C\c3cccn3CCOc3ccccc3OC)C(=N)N12 33542460 SVKNOLNKDNIPBH-ZKWSLEOOSA-N 488.569 4.844 10 10 JJCE Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1 33813408 FMPKXDIKZDUDKG-UHFFFAOYSA-N 465.980 4.604 10 10 JJCE Cc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)c2O)cc1C 34222268 MFLSCSNSAGEDAU-ODLFYWEKSA-N 450.882 4.663 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccccc4O)S3)[C@H](c3ccccc3O)C2)cc1 206360987 NRJDACDHMUNDBF-GQBLCDNYSA-N 471.538 4.928 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C(C)=O)cc2)[C@@H]1c1ccc(O)c(O)c1 526267451 ZGZVZNYZIQRLSY-XMMPIXPASA-N 475.497 4.765 10 10 JJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526394057 KUYYCYMOIVLZLC-JOCHJYFZSA-N 450.878 4.767 10 10 JJCE Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 726284540 XNZXRLJTRHHYQK-UHFFFAOYSA-N 452.558 4.762 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)c1 1084461368 OCFFHPVPWQYYCL-MOSHPQCFSA-N 464.319 4.523 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc(C)cs2)sc(C)c1-c1ccc(Cl)cc1 1860766321 ZWRDXDBSSKNPHP-UHFFFAOYSA-N 463.968 4.896 10 10 JJCE CCCCCCOc1cn(CCCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675584 ZCEJMYRTXJWSIU-UHFFFAOYSA-N 499.696 4.691 10 10 JJCE CC1(c2nn(Cc3ccc(Cl)cc3O)c(I)c2C(F)(F)F)CC1 2079715841 NPKSVHBUMWBJQE-UHFFFAOYSA-N 456.633 4.965 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(N4CCN(c5ccccc5[N+](=O)[O-])CC4)=NC3=O)o2)cc1 2296053631 PMIHJZMXUYPGAH-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2296592276 FGZVKLOLDOMUHP-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE CCCCN1C(=O)C(=CNc2ccc(Br)cc2)C(=O)N(CCc2ccccc2)C1=O 2297454699 BCYYQTDMBLODMF-UHFFFAOYSA-N 470.367 4.579 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1Br 2313559130 RNBSCVJLAGBUIR-UHFFFAOYSA-N 498.377 4.827 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)cc1 2314414326 WBZXUJJWKFZCQF-SFHVURJKSA-N 490.654 4.783 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S 2314769011 NHQXGDDBLBFMSL-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(c2ccccc2Br)C1=O 2314931521 GRSDEWZIZJCZGU-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccccc1C(F)(F)F 15037690 WXQJVYFVUKOVOP-WJDWOHSUSA-N 452.479 4.641 10 10 JJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 15046796 OCEVAFMNLKVRKI-UEMWTREESA-N 477.405 4.686 10 10 JJCE COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(O)=NC1=S 33333324 ZJCBBPFMUONIAU-RVDMUPIBSA-N 482.901 4.978 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490835 PLBFIWGLRVJMFM-WOJGMQOQSA-N 456.637 4.605 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 39835752 JVGYVBJUBTVIPS-QGOAFFKASA-N 451.573 4.715 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(NC(C)=O)c2)[C@@H]1c1ccc(O)c(O)c1 526397343 PHGLHZVDENKNPI-XMMPIXPASA-N 490.512 4.521 10 10 JJCE CCN(CC)C(=O)[C@H](C(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156844 LADXTTAIAHTFBH-SFKKXYGYSA-N 455.443 4.543 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC)c(Cl)c3)C2=O)c1 1084452998 JXMFKVPITMFSFA-DHDCSXOGSA-N 493.343 4.856 10 10 JJCE Brc1ccccc1-c1nnc(N2CCCC2)n1CCCSc1nccs1 1358869264 FTNBWYSWUICCQP-UHFFFAOYSA-N 450.431 4.947 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5nc[nH]c5c4)c4ccccc34)[C@@H]21 1860344984 LQAHVXWDNXLISM-MUUNZHRXSA-N 490.567 4.693 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4C)n(-c4ccccn4)n3)CC2)cc1 1862344372 LPRUQAGZIVTXIQ-UHFFFAOYSA-N 467.573 4.522 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 1866023458 UTOZTINCZPHQEP-HHHXNRCGSA-N 475.548 4.706 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2c3c(nc4ccc(F)cc24)CCCC3)c2nccn2C)cc1 1866280236 JNJVUYKSGVEOIX-VWLOTQADSA-N 457.553 4.572 10 10 JJCE CCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871018962 ACQZKGMSUUGKHF-UHFFFAOYSA-N 462.594 4.909 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425167 WOWPSBRDDZBVLU-HXUWFJFHSA-N 498.627 4.921 10 10 JJCE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1963192027 UGFHVVLQTKOJRZ-WXTAPIANSA-N 458.558 4.962 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079033094 OVLDUQBWFOGTNE-MRXNPFEDSA-N 469.367 4.534 10 10 JJCE CSc1nc2ccccc2n1C(=O)CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2296702658 CGAAIUOWYLVTKU-UHFFFAOYSA-N 457.577 4.829 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1OC 2297349294 SSGSPRMRQWDPEI-UHFFFAOYSA-N 456.589 4.632 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1F 2313560963 NNHIZYFYWBBKCV-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 2314504485 VCUKVGCCYIRINX-UHFFFAOYSA-N 451.573 4.660 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]2F 2358239093 IEGWCQPZOLOGNJ-OEAJRASXSA-N 463.775 4.776 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NCCc2ccccc2)cc1 16193482 IGHCGTRPKLIAOX-FXBPSFAMSA-N 454.555 4.772 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 210673226 WYOIKCWHBDCEAW-CXUHLZMHSA-N 452.479 4.554 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 210742520 WIAVCFGZGOQPAN-HMMYKYKNSA-N 456.589 4.801 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526277109 KLQMCXSHOMKHJS-VWLOTQADSA-N 472.541 4.995 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526326796 BPWNNEVIMIJTOM-AREMUKBSSA-N 490.556 4.844 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526430975 JOGGROGGXLEQSC-OAQYLSRUSA-N 498.329 4.935 10 10 JJCE O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(N(CCO)CCO)cc2Cl)c(Br)c1 606508388 WZYPIHOBHDXNJL-UHFFFAOYSA-N 478.130 4.871 10 10 JJCE CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592700 UPKLHWIFCAPAJD-UMQYOCJBSA-N 464.790 4.509 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)C2CCCCC2)c1 1860503728 NZBCPCPMXXBRCS-UHFFFAOYSA-N 453.498 4.628 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CC[C@@H](C)C2 1865770620 AKVCLBVXHZDANZ-QAPCUYQASA-N 468.619 4.912 10 10 JJCE CCN1CCc2cc([C@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163130098 DWFKUWKFVXPVMX-LBNVMWSVSA-N 465.638 4.913 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2NCc1cc(Cl)cc(Br)c1O 2175900742 IXPSIUZYQHKAES-XYPHTWIQSA-N 459.812 4.932 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1 2180991287 LKZIYAPLXDLSRX-BWKNWUBXSA-N 471.602 4.769 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 2293998740 BUDXFJJZUJUYOU-UHFFFAOYSA-N 491.569 4.873 10 10 JJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2296709027 CKXSEJZFZINDPB-UHFFFAOYSA-N 465.600 4.704 10 10 JJCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2296925510 KJDKVJNJZWLJAF-UHFFFAOYSA-N 466.415 4.951 10 10 JJCE CCc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)s1 2314486750 CCFORXLNRRTMCB-UHFFFAOYSA-N 466.613 4.601 10 10 JJCE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314837370 RKINGXCKUOVVCC-JTQLQIEISA-N 453.372 4.927 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1cccc(Cl)c1 2332141027 CQYSFEXSWOTSMF-UHFFFAOYSA-N 461.861 4.854 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21 14461208 LBNVVMJNQACTNQ-JLDZCNIISA-N 457.368 4.748 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 16926795 ITMRHLUJFFRUEC-AUWJEWJLSA-N 454.312 4.796 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 40888487 CPWUICMSXOKCRO-QNGOZBTKSA-N 471.600 4.819 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526307019 HEKYOIODIITEJR-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE CC(C)CCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586620539 KZUZUUZANKMSRP-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860656927 AUPNQEBHKLTWDB-FQEVSTJZSA-N 483.634 4.993 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4F)n(Cc4ccccc4)n3)CC2)cc1 1862338661 BWNZNTQJVOAUMA-UHFFFAOYSA-N 488.538 4.848 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(N(C)C)ccc3[nH]2)sc(C)c1-c1ccccc1 1866503907 YDJNXZFHSJBWAV-UHFFFAOYSA-N 461.543 4.670 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867977798 DBKLNILDCVPJGX-WOJBJXKFSA-N 494.039 4.746 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869143 QWIUZAGJBXQPGL-IZZNHLLZSA-N 498.067 4.866 10 10 JJCE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873422651 HWXBQSBZFCCSSY-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE O=C(O)CCC[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602606 QVXKCYIATDHYLD-SFHVURJKSA-N 461.514 4.803 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078994696 PKZGMWJUOORVNY-KRWDZBQOSA-N 466.319 4.555 10 10 JJCE CC1(c2c(C3CC3)nn(Cc3cc(Br)ccc3O)c2I)CC1 2079742327 NLYXMOFZVHDCDP-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079979191 MFBAAUIXOCAITO-LJQANCHMSA-N 480.346 4.864 10 10 JJCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2106848571 KFHDLTKXXLZDIR-IGKIAQTJSA-N 453.627 4.857 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC 2297334657 WDVOJYNZMRIVHX-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(C(C)C)C2=O)CC1 2314648353 XGGVYCQTCIEQGX-UHFFFAOYSA-N 483.659 4.932 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCCC(=O)O 2314930897 ARDZNYSOFUSMKS-UHFFFAOYSA-N 483.489 4.973 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935202 NNJMBPAGEHLJOW-KRWDZBQOSA-N 473.572 4.742 10 10 JJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=S)N=C3O)c2C)cc1 33342722 GEWXQBAIYRXULQ-UCQKPKSFSA-N 473.554 4.999 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 40567373 AUXHKCASQCGBTB-LWLPBDFMSA-N 498.991 4.916 10 10 JJCE CN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21 40845316 ROVUQMHMQVQURH-PFONDFGASA-N 465.781 4.855 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 96450453 UTIVEZIBHWBMIY-XMXHIQRUSA-N 484.559 4.616 10 10 JJCE CCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378158 ONBFQEVDRRBWGE-KOEQRZSOSA-N 497.661 4.538 10 10 JJCE Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(C)n1-c1ccc(Br)cc1 108781096 XGFYQKIZDSVLNI-SFHVURJKSA-N 473.396 4.556 10 10 JJCE [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1OCc1ccccc1 381051224 HEPLJHDCXLLGPB-JGWHWLOXSA-N 475.545 4.770 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526624975 OLNVDCAWNSHYDP-AREMUKBSSA-N 472.541 4.534 10 10 JJCE O=C(COc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1)Nc1cccc(C(F)(F)F)c1 727994653 HZTKWDMERDWDBD-UHFFFAOYSA-N 499.489 4.812 10 10 JJCE CCCS(=O)(=O)Nc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 920422552 CNQGNJCFGSVPIF-QHCPKHFHSA-N 491.573 4.998 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(Br)cc4)n4ccccc34)CC2)cc1 1858344278 LJZJIZVAXVRPTM-UHFFFAOYSA-N 491.389 4.735 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(Cl)cc1 1860667700 IXKDXPJCDTUFRY-OAHLLOKOSA-N 480.055 4.708 10 10 JJCE CCc1ccc(-c2csc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860743267 FTPQIMVDVQQJMA-UHFFFAOYSA-N 481.533 4.725 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668376 UFNXGZYKYFQCHS-OEAKJJBVSA-N 472.541 4.860 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)CCCN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866022844 PYAZJHDHIXVMIT-UHFFFAOYSA-N 494.345 4.839 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1867946223 IWYNSUHNGUUMJR-QFIPXVFZSA-N 457.622 4.781 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868690378 VMVDGANAEIVOEV-IZLXSDGUSA-N 491.676 4.829 10 10 JJCE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C1 1869297496 WWVNSBXQWGFOHJ-NRFANRHFSA-N 473.621 4.849 10 10 JJCE Cc1c(Cl)cccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421182 KYUMGBQDWGRMEC-UHFFFAOYSA-N 477.008 4.810 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)c1 2180963747 ZLBVAVHJOCYXEQ-AWEZNQCLSA-N 485.326 4.943 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2296712194 IRMLSHIFEVSYHA-UHFFFAOYSA-N 479.627 4.660 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 2313548229 PIYHJZIRPQGRJM-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836679 ILHFASOTTXFVGB-NSHDSACASA-N 492.376 4.586 10 10 JJCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 2314929118 HLCVACBSKBITDC-NSHDSACASA-N 453.463 4.963 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 2314933279 ACVJQOKISVYATP-UHFFFAOYSA-N 463.964 4.998 10 10 JJCE COC(=O)c1ccc(Nc2cc(N3CCC(=O)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2494282 QVMFIFZFNPWWMS-UHFFFAOYSA-N 467.481 4.739 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 2701066 UCQNUKRINIYHNW-LGMDPLHJSA-N 460.602 4.847 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 16878164 CKDYSXREGSUWLM-UHFFFAOYSA-N 496.655 4.842 10 10 JJCE NC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 39869848 JWSJFABGPLJGNB-VCHYOVAHSA-N 468.878 4.690 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1c(C)cccc1C 101375454 YNVUBICIQKEDRQ-QJOMJCCJSA-N 472.541 4.621 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 250219030 QZCJTAFRBCZBHC-JAOIYPECSA-N 453.926 4.984 10 10 JJCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1128383421 AXZRSGJEMWHLCT-CJAUYULYSA-N 454.014 4.729 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)sc(C)c1-c1ccccc1 1866114154 MNYQPWTWAKXMRQ-OAQYLSRUSA-N 475.570 4.677 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1ccc(F)cc1 1871077946 QEMFIPDRDJPTQC-UHFFFAOYSA-N 459.521 4.914 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5cccc(F)c5)[nH]c4c3)CC2)cc1 1872825401 WSVNCEGCJTTYSJ-UHFFFAOYSA-N 476.577 4.965 10 10 JJCE CCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167355 CNZSJGQXGMFIGA-UHFFFAOYSA-N 476.665 4.830 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNCc1cccc(Br)c1O 2194003616 RUEHIKAMQKWFJO-INIZCTEOSA-N 453.402 4.840 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 2293476871 BWZTXIXUIWFNQP-UHFFFAOYSA-N 472.541 4.621 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3Cl)o2)SC1=S 2294187357 FBPNUWUEQSAVKP-UHFFFAOYSA-N 458.742 4.648 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1C 2294229360 MWWOKYIQQASZQE-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Br)c1 2297314543 DWAJMGKKLGHWAX-UHFFFAOYSA-N 484.375 4.992 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C 2297321586 OOKHTYFGXUQQFD-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297335565 JNVCOMHDMCCKRR-UHFFFAOYSA-N 488.550 4.643 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(C)cc4)c(Cl)c3)C(=O)N=C2S1 2297458222 TVJCGZJIUOEHNT-UHFFFAOYSA-N 452.923 4.897 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 13914548 CGXWVEYEXRMGON-OEAKJJBVSA-N 499.523 4.525 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)cc1 16908146 VYSMPSMUKPGSPH-HMMYKYKNSA-N 456.589 4.792 10 10 JJCE CCOC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)cccc1OC 33313223 DAQOHONOHVXINT-CPNJWEJPSA-N 457.573 4.605 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 33910662 OREUHRZVDCBBFO-CXDFQFJYSA-N 464.616 4.725 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526152971 LVJMDHDTFYFVAO-NRFANRHFSA-N 471.868 4.965 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 1858594383 WZRJJLVCESLPIW-VRMLFSPKSA-N 486.659 4.997 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861854584 WFHAOGGVYFFBID-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE CCC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145835 HUHJAFXDCXMVQD-NTCLMWMPSA-N 477.649 4.640 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccc(C(=O)O)cc2)cc1 1865675777 ZKCQVUXTRDNKPL-KGENOOAVSA-N 477.314 4.990 10 10 JJCE CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O 1865767137 KIPYKUPMOPHDRH-LJQANCHMSA-N 466.537 4.578 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(C)c(C)c1 1866111865 IVTGCSQORCMHON-OAQYLSRUSA-N 480.586 4.518 10 10 JJCE C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867856595 XBOWPPUFQMCTLW-QFQXNSOFSA-N 478.681 4.512 10 10 JJCE CCN(CC)c1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(O)c1 1951401421 DJSCKQRXNIKHDQ-RUZDIDTESA-N 460.530 4.903 10 10 JJCE C[C@H](CC(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951829275 IBFMETDBMUQPSI-MWTRTKDXSA-N 461.514 4.658 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2080005008 IKUZNPPZFNBQDP-INIZCTEOSA-N 466.319 4.559 10 10 JJCE CC(C)CN(CCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106883124 MNBGJQQAHFYPFQ-UHFFFAOYSA-N 462.635 4.549 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C 2297347604 MMPIVUFNAGHQPW-UHFFFAOYSA-N 481.936 4.874 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5cccs5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348043 AQNLEYFKAVCHIA-UHFFFAOYSA-N 493.526 4.982 10 10 JJCE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 2297458235 WPILBRKKDIMASD-UHFFFAOYSA-N 499.976 4.982 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC)C(=O)O 2314933647 WTXNBKYBIFSIJV-KRWDZBQOSA-N 457.573 4.960 10 10 JJCE CC1CCN(c2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)CC1 9642056 BORLZQHBIVLAFS-UHFFFAOYSA-N 459.546 4.619 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14470938 NDMAIPWWWKFWPN-DOWNOZBLSA-N 453.926 4.984 10 10 JJCE O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 32064539 DOUQKYLTTXTXEA-FSKGUYTJSA-N 474.412 4.642 10 10 JJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 32964480 BQLRDAIBCDVUNJ-SKQFIHRFSA-N 458.252 4.966 10 10 JJCE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 33378509 CMVOBYALBXTOFG-VBEHJTROSA-N 492.416 4.791 10 10 JJCE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1 59371566 QZUUPJBHTVPDTE-RCCKNPSSSA-N 469.632 4.980 10 10 JJCE CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 210452310 UFZDMPRZLNNDEN-MOSHPQCFSA-N 457.573 4.907 10 10 JJCE C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C1 586660489 UVBWFHSIOKQUHZ-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 1084495010 XEGJILCQALQIIQ-JLPGSUDCSA-N 474.536 4.746 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(C)cc1 1860658464 VUTIGPFTIOTHJV-IBGZPJMESA-N 469.607 4.685 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CCCCN(Cc2ccccc2)C1 1881472898 KFFFOUHJZMPCSY-HHHXNRCGSA-N 452.643 4.531 10 10 JJCE Cc1c(C(F)(F)F)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079823455 CFAFCWMRABGPPN-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079977569 OFDLNZKVURJDNX-SFHVURJKSA-N 466.319 4.775 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1c(Cl)cccc1Cl 2293024448 JZOFLQXSCPWJCB-UHFFFAOYSA-N 484.382 4.867 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 2296538510 TZCKZKUVQUHKOH-UHFFFAOYSA-N 499.617 4.752 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 2296724108 SJTYUDHYZMEPJG-QGZVFWFLSA-N 470.664 4.712 10 10 JJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 2313549527 YNNXEPFGMLHWKY-UHFFFAOYSA-N 486.524 4.729 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)ccc1OCc1ccccc1 2323813089 XHAZUHAHFAGXGJ-GOSISDBHSA-N 471.600 4.975 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCC2)SC1=S 33469411 VGLUCTJCVNTHPT-HMMYKYKNSA-N 472.680 4.820 10 10 JJCE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)CC1 35519420 VIDJYHWKRYZYMS-WJDWOHSUSA-N 454.404 4.617 10 10 JJCE COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])cc1 503904138 ZTAXYCGZXSYIMV-IURCNINISA-N 491.544 4.641 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526389598 SPQORNMNUKCLEM-NDEPHWFRSA-N 482.628 4.870 10 10 JJCE COc1ccc(-c2csc(N3N=C(C)[C@H](N=Nc4ccc(N(C)C(C)=O)cc4)C3=O)n2)cc1 575732990 KDRICULOUGRSKD-NRFANRHFSA-N 462.535 4.676 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356472 FTRBYUVXZLCNQM-RCBBPTIPSA-N 453.764 4.585 10 10 JJCE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@H]34)cc12 1614472464 KCPUSSFLKJQTQY-RCZVLFRGSA-N 470.654 4.863 10 10 JJCE Brc1cc(CNC[C@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1 1660846806 IKZAEZSXFLAOHY-XMMPIXPASA-N 458.444 4.603 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C(C)C)cc4)c4ccccn34)CC2)cc1 1858227755 MQOCGMVQBNBVJY-UHFFFAOYSA-N 497.599 4.681 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccc([N+](=O)[O-])cc54)nc(C(C)(C)C)n3)CC2)cc1 1869178532 AGQQLTNRHNUVQD-UHFFFAOYSA-N 488.592 4.712 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc(C(C)C)cc4)cc3)CC2)cc1 1872723215 KSPVTJHTHCEYCU-UHFFFAOYSA-N 480.630 4.909 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc5cccnc45)c3)CC2)cc1 1872848966 DVHMZSKBMPHTAA-UHFFFAOYSA-N 453.542 4.785 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420235 VUKBEEOXQRKOIE-HSZRJFAPSA-N 459.521 4.604 10 10 JJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(Br)ccc1O 1951726042 AOPIUYNKNHMVGI-DEOSSOPVSA-N 482.330 4.993 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1c(O)cccc1Br 1951903842 AIIURCZCZWXFKV-XMMPIXPASA-N 482.330 4.993 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2cc(Cl)cc(Br)c2O)C1 2149374652 MMXLXERSTNRTPQ-XGWLTEMNSA-N 459.812 4.933 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1(CN)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2194925869 LNWOBMXIPSIOID-GYKVFZPVSA-N 464.654 4.672 10 10 JJCE COCCN1C(=O)C(=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 2296848615 LQMUVMZDDPMMRJ-UHFFFAOYSA-N 495.626 4.632 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 2296939464 GFIFYZFJARVWAP-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2)c1 2297302885 IQMZHVCXAKZMSH-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE CN(C)CCOC(=O)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2297579980 CQSASHUHUQDOBB-UHFFFAOYSA-N 480.533 4.830 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 2314433497 ODVWTYNMQJEVFQ-UHFFFAOYSA-N 473.572 4.970 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314934649 JHMJLYJLZBDTST-QGZVFWFLSA-N 457.573 4.729 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533431 SSEOCFIYIBGCBI-ZIPFOMIPSA-N 486.018 4.695 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCc3ccccc32)cc1 9529640 VDSDSILKIMOKFR-FQEVSTJZSA-N 454.368 4.642 10 10 JJCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4c(C)cc(C)cc4C)n3)cc21 11857577 OLXPZEZCZZSHNE-UHFFFAOYSA-N 471.604 4.672 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 33436380 UJOLAPTUTIAJNX-XDHOZWIPSA-N 477.007 4.977 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1O 33723309 RXIUJZPYOWBRJB-HMAPJEAMSA-N 492.578 4.824 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 40567346 FCFQEKUGYQSJEK-AYCSXLNKSA-N 478.573 4.571 10 10 JJCE CCCCn1nc(C)c(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1Cl 71933440 GABMXCYTZLBDRM-BQYQJAHWSA-N 484.950 4.830 10 10 JJCE COc1cc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C(=O)N2CCCCC2)cc1OC 106089159 YUQHUAFGNYMZDE-UHFFFAOYSA-N 461.562 4.990 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 210721457 DLDWXRJLLVUPQJ-HMMYKYKNSA-N 456.589 4.714 10 10 JJCE Nc1ccc(N(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc2)cc1 217306573 VTVHHMCSVYKINJ-UHFFFAOYSA-N 493.361 4.565 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526227315 RPBOVYWZRISURS-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526334016 PWUZZXVXFUPGBJ-RUZDIDTESA-N 487.556 4.785 10 10 JJCE CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2/C(=O)N(C)C(CO)=C2O)[C@H]1/C=C/C=C/C[C@@H](C)O 1615671395 AWQOATNHYGPPIM-JMVQQZBSSA-N 457.611 4.551 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O 1865671270 SXZAZNIAYJUNRX-LDADJPATSA-N 473.367 4.905 10 10 JJCE CC1=NN(Cc2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865672620 HPJWTDYRTIZWMA-VIZOYTHASA-N 468.120 4.858 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867112990 JNXCYPUZPPZLQZ-IQGLISFBSA-N 498.579 4.888 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425336 YXYPABVLMSEBGS-QGZVFWFLSA-N 471.557 4.871 10 10 JJCE Cc1c(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc2c3c(c(=O)oc12)CCCC3 1874016554 GGQLVKXBFKLCTD-UHFFFAOYSA-N 493.515 4.773 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@@H]1CC1(Br)Br 2218009166 XSFUJEUDYBCAQV-HNNXBMFYSA-N 474.237 4.970 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 2297347404 CJYONJHBIOTLBN-UHFFFAOYSA-N 481.936 4.874 10 10 JJCE COc1ccccc1OCCn1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21 2297470326 UUKXWGQBNUBANA-UHFFFAOYSA-N 458.543 4.896 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OC 2297559730 DMDCTZRSWMSIGX-UHFFFAOYSA-N 454.367 4.851 10 10 JJCE COc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 2297624979 SZYRYNJNCWTDMD-UHFFFAOYSA-N 465.962 4.587 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314414877 PLBFIWGLRVJMFM-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)c1 2314509537 VQFXOXMIHPDRJB-UHFFFAOYSA-N 451.573 4.713 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 2314837914 YDSKSPFTCTZMLU-LBPRGKRZSA-N 496.532 4.951 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2ccc(Br)cc2O)[nH]1 2362647940 NDRNCSIVRGUOOI-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O 14457218 GILVLWOXYMGTDR-ISJBWFOZSA-N 462.571 4.706 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475649 IPWYCTZWFPAMLP-AXHZCLLHSA-N 469.563 4.738 10 10 JJCE O=C(CN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1 33330926 TXTYMOHZDSIJFP-KUZVYUEUSA-N 459.390 4.845 10 10 JJCE COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 39850186 KTKNXSILSFDBBQ-JCMHNJIXSA-N 493.610 4.548 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 97474692 HKVRSQUFKZSDRW-KNTRCKAVSA-N 488.679 4.703 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)s1 211916509 MDTAPAJXOCIWBX-SFQUDFHCSA-N 488.660 4.652 10 10 JJCE CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccc(N=Nc2ccccc2)cc1)C(=O)O 255973626 GDWCICAVNWGMDQ-FGZHOGPDSA-N 466.538 4.819 10 10 JJCE C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 586717328 KHJKSGFUVPCVIB-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE Cc1c(C(=O)O)cc(C2CC2)n1-c1cc(I)cc(I)c1 706835244 LXICKTYVTQMUQP-UHFFFAOYSA-N 493.082 4.571 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727476576 YJFAPIGTWDCHDO-QHCPKHFHSA-N 455.002 4.844 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 1084234643 ICARPEAZLKNPOU-PXLXIMEGSA-N 473.529 4.558 10 10 JJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccc2c(c1)OCO2 1858589175 QAGZBXPWUKYLHX-PJQLUOCWSA-N 484.780 4.938 10 10 JJCE CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860266648 KECOPWVWFYCZAM-QGZVFWFLSA-N 484.980 4.524 10 10 JJCE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OCC 1860762781 RCTGYHSXBUOWNL-UHFFFAOYSA-N 490.622 4.560 10 10 JJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014148 OFBITIZRIPPDMQ-JOCHJYFZSA-N 482.625 4.581 10 10 JJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873166203 GQXQILRCIABJHN-UHFFFAOYSA-N 471.601 4.671 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873167757 WJGGONCMEUPYPV-HSZRJFAPSA-N 484.644 4.867 10 10 JJCE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873423881 KKBMDPQPUPFZEK-UHFFFAOYSA-N 456.546 4.653 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)cc1C 2079980110 ZGVRZQZSHXWNOL-SFHVURJKSA-N 450.320 4.890 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 2294204837 JERBJOUAOFVBBW-UHFFFAOYSA-N 467.890 4.648 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 2295916587 CLOPRSNDTVEZEZ-UHFFFAOYSA-N 492.601 4.807 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(Sc3ccccc3)nc12 2296707714 ABRDHBGUGNPMMN-UHFFFAOYSA-N 453.614 4.764 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCCOc1cccc(OC)c1 2297306666 YBEUWEGVVDMLMM-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 2297313885 AUGNMUSTKAHLRX-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1 2297349572 XPJYRAFAIHQQMO-UHFFFAOYSA-N 460.559 4.781 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 2297467669 GREBXVMVBZDSSY-UHFFFAOYSA-N 473.533 4.931 10 10 JJCE COC(=O)c1ccc(C=C2SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 2297635563 RVEAQPFRWNNBHS-UHFFFAOYSA-N 463.378 4.507 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 2313553063 CAPXDBQFLZGETR-UHFFFAOYSA-N 465.849 4.737 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 2314935749 SAGCYVFIRDQGLZ-UHFFFAOYSA-N 457.573 4.961 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])c(F)c3)c3ccccc23)SC1=S 2326954752 PYUGKVTZYKYWMX-UHFFFAOYSA-N 499.545 4.803 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526302535 RKHRYPSINRMEQJ-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE Cc1cc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1-c1ccccc1 746426417 OPZUNIRHVRCJCN-UHFFFAOYSA-N 450.539 4.734 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869141 QWIUZAGJBXQPGL-CLJLJLNGSA-N 498.067 4.866 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3cccc(C)c3)CC2)cc1 1870610159 SSLBQJQWJTUBRD-UHFFFAOYSA-N 487.644 4.881 10 10 JJCE COCCN1C(=O)C(Nc2cccc(Br)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420686 SZUQKJRDJKORFH-UHFFFAOYSA-N 494.389 4.695 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC(C)C 2313549301 SFBPDPWNIZXMSV-UHFFFAOYSA-N 493.741 4.565 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCc3ccccc32)cc1 9529639 VDSDSILKIMOKFR-HXUWFJFHSA-N 454.368 4.642 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14461305 BHSFQANEFHCRNR-GSHUGGBRSA-N 457.368 4.748 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 15037693 BYOZJRBPINWXQT-BOPFTXTBSA-N 482.505 4.650 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 16922780 IAGBXULMIZJKBF-ATVHPVEESA-N 464.515 4.614 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3ccc4c(SCc5ccccc5)nccc43)CC2)cc1 33298619 KTDGVYSYJCZWQM-UHFFFAOYSA-N 472.614 4.686 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 33925006 QTTRILPZEADEEV-ATVHPVEESA-N 477.589 4.762 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 39835981 KWMVZQYIGDEDON-XMHGGMMESA-N 499.589 4.562 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 39983149 LGRZPTIEOKDXQJ-XSFVSMFZSA-N 494.642 4.625 10 10 JJCE CCCCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)c1 54421828 LGHBOIGNVUWMNH-DEOSSOPVSA-N 472.651 4.541 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)o1 58833391 IEXJNYFICQCJOH-RCCKNPSSSA-N 459.458 4.962 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)N([C@H](C)c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475538 SKDGLMOSAZWVKE-ONDHQXCVSA-N 461.430 4.927 10 10 JJCE CCOC(=O)/C=C(/C)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(Br)ccc1O 101352585 AZNYBBYHTYYUBB-ACQXMXPUSA-N 459.340 4.781 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 206828652 WRMKVACEEHYXSS-MOSHPQCFSA-N 457.573 4.649 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226780533 LHXUYGXJGVTVRO-JBYGMCGMSA-N 489.435 4.733 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526237099 UFFOWDQZUDTKSL-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)o2)cc1 1137438893 XVWQNPVVHMOTJL-NRFANRHFSA-N 452.938 4.903 10 10 JJCE CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 1645135267 XHVIXRRRVQFSGK-QGZVFWFLSA-N 454.571 4.654 10 10 JJCE Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc4c(c3)C(=O)c3ccccc3C4=O)C2=O)c1 1860086704 BVOOTQBRPVYRLD-SRZZPIQSSA-N 457.532 4.882 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4ccc(Cl)cc4Cl)SC3=S)ccc21 1860087868 XKVHIFSKJWJSDY-OMCISZLKSA-N 451.356 4.754 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)cccc21 1861857842 NFJMMESUPGOTIC-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862354988 GRSZHIPOJNHLAJ-UHFFFAOYSA-N 470.548 4.709 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n(Cc4ccccc4)n3)CC2)cc1 1862376789 IXQVLZLZKVPPDJ-UHFFFAOYSA-N 466.585 4.878 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)cc(OC)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866556812 QOHWVQATHNONPL-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCC2)C1=O 1873167313 ASEDQJZQSMEORP-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422980 ZFEROGBGWLKDKA-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423177 IHJLRLKXOKGVJR-UHFFFAOYSA-N 483.547 4.712 10 10 JJCE CC(C)COC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873996493 FBVVTKWFNIFPIR-UHFFFAOYSA-N 466.493 4.780 10 10 JJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C(C)C)C1=O 2296851548 YBZBPMHSOXNHLF-UHFFFAOYSA-N 451.573 4.713 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 2297313950 XLUSPGAHNJQNFO-UHFFFAOYSA-N 485.949 4.592 10 10 JJCE CCOC(=O)COc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 2297349888 FRYBWYFTGRUQNN-UHFFFAOYSA-N 463.964 4.696 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 2297364078 LXSVJQUQDZCQLW-UHFFFAOYSA-N 474.951 4.658 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)c1cccc(Cl)c1 2297498395 YBVVEXWVGFDZCZ-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CN(C)c1ccc(C=CCN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 2297517488 PWKMTMZADXNRPM-HSZRJFAPSA-N 451.684 4.623 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)c1 2313548927 JBEKHCPIOXGGJR-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314769878 WLTLHAZERDOICU-QGZVFWFLSA-N 462.390 4.955 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2cccc(OCCC(=O)O)c2)SC1=S 2314926904 VDNYDBQQZVVGMV-UHFFFAOYSA-N 479.620 4.947 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Br)c1 16455661 YZBLCYQBULSPCW-XMMPIXPASA-N 498.352 4.646 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cc(OC)ccc2OC)c1 20071376 LOHKUOAOLOHYEE-QFQXNSOFSA-N 462.502 4.669 10 10 JJCE O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2O)CC1 34683924 HOKMPIWYOZUWMN-UHFFFAOYSA-N 458.530 4.530 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59443016 ZUTQABWRGMXQJI-ABDYDURRSA-N 485.923 4.592 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1 206458171 FSKMQCPBWCWDIJ-CIAFOILYSA-N 471.600 4.675 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c1 526157411 GQMXMQCPSPCTGL-RUZDIDTESA-N 458.514 4.590 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)CC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526573305 WDSZCMTYSSPRFG-VWLOTQADSA-N 474.513 4.902 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)c(C)s1 1859573406 JUPOLNHDFONFDF-UHFFFAOYSA-N 492.022 4.835 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@@H]21 1860347314 JGZYBIMDZSWUQK-HHHXNRCGSA-N 495.539 4.725 10 10 JJCE O=C(CCNCc1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860711848 QWQYDDJVCIPRMZ-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 1872883911 CLXVQUSRZBLHCY-UHFFFAOYSA-N 459.634 4.716 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(C3CCCCC3)C2=O)cc1 1873164173 PFHGYDPYEMUPNW-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE COc1ccc(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166986 NKKZJBFPMCCOCA-UHFFFAOYSA-N 457.574 4.628 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080003085 HYYZOYPULTWFOK-QGZVFWFLSA-N 454.352 4.599 10 10 JJCE CCN1CCc2cc([C@@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163064669 XXHMCWSRXNKIBE-NAKRPHOHSA-N 466.622 4.946 10 10 JJCE CC(C)[C@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 2194920319 AEFANAFVMXMPBB-LEAFIULHSA-N 466.670 4.776 10 10 JJCE O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1Cc1ccccc1 2294732715 FQKNSOLALDSEAE-UHFFFAOYSA-N 467.593 4.856 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 2297342757 JTIPJYAAXMALBL-UHFFFAOYSA-N 478.451 4.609 10 10 JJCE CN(C)c1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 2297577004 JJHWLOLPMHLNSZ-UHFFFAOYSA-N 464.366 4.829 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 2314508850 RCHFXVGCRYEQLS-UHFFFAOYSA-N 451.573 4.715 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314766752 BUGXGXQNINYJJA-GOSISDBHSA-N 492.416 4.963 10 10 JJCE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314831340 IWVADFOMTZQISN-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934035 FUWSVVGKVVBTRJ-LSDHHAIUSA-N 457.573 4.900 10 10 JJCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131592 JXRODSYOPRWGMK-UHFFFAOYSA-N 465.145 4.899 10 10 JJCE CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2c(O)ccc3ccccc23)NC(=O)N1 20568884 SJVPNURISMSAGT-FQEVSTJZSA-N 452.308 4.575 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@H]32)c1O 20694031 BTXSYNVSALDCOG-XMERXJNXSA-N 474.582 4.979 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 40927746 LBUOCXPVJZRORJ-VXPUYCOJSA-N 460.621 4.830 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3Cl)o2)SC1=S 96840708 FBPNUWUEQSAVKP-MLPAPPSSSA-N 458.742 4.648 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526402814 CBUHJKVANUVJEO-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CC(=O)c1c(C)cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C 1133235535 BCZDSYCDGPIHAM-UNOMPAQXSA-N 456.564 4.875 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(C)c(C)c1 1860655921 XAZZRAUDWLOXGA-INIZCTEOSA-N 482.524 4.866 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873162260 NEDRCQZWTHLBET-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE CCCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165009 CYMSDDDGODDWSQ-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE O=C(N[C@H](CC1(c2cccc(O)c2O)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952108659 HFXLKQFWIDILAM-JOCHJYFZSA-N 459.498 4.511 10 10 JJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163150965 BOGIQUNBKADHCV-NAKRPHOHSA-N 464.654 4.717 10 10 JJCE COc1ccccc1OCCCn1cc(C=C2C(=N)N3C=CSC3=NC2=O)c2ccccc21 2293199847 WSHVZQRZNWTVAD-UHFFFAOYSA-N 458.543 4.896 10 10 JJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(OC)c(Cl)c4)C3=O)c2C)cc1 2296398032 OKUFTHXQPWKROZ-UHFFFAOYSA-N 477.948 4.985 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(CN3CCN(c4cccc(C)c4)CC3)C2=O)cc1 2296833123 DNQOOOWPBFAINT-UHFFFAOYSA-N 467.660 4.765 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 2313557591 HAEBVFMUQSZGLO-UHFFFAOYSA-N 498.869 4.872 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1SC(=S)N(CCC(=O)OCC)C1=O 2314761291 ROBDGTSZUZQNPM-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 2314769873 WLPKHJCEXUBOMF-FQEVSTJZSA-N 457.573 4.901 10 10 JJCE COc1ccc(C=C(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1OC 2325372755 XQIXYYOXJQCDAO-MUUNZHRXSA-N 496.611 4.950 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144854 TWGUAUZFWIRAHN-UHFFFAOYSA-N 463.877 4.793 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 20236247 PBKQKTGIPLWNJY-BVZJYVBKSA-N 481.936 4.874 10 10 JJCE COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)c(OC)c2)SC1=S 33431394 YUVBGQVMZNJTGZ-MKQFKDDOSA-N 499.610 4.560 10 10 JJCE Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccco4)SC3=S)s2)cc1 35640595 RQSULNXJZYYBTB-PDGQHHTCSA-N 469.613 4.865 10 10 JJCE CCOc1cc(OCC)c(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br 59135415 RVNUABRGFOHOHK-DHDCSXOGSA-N 477.286 4.892 10 10 JJCE CCCCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(Br)cc32)cc1 64979284 IUBMMQVGGBAUMQ-UHFFFAOYSA-N 450.354 4.732 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 104372854 WRPOJIPZKCOUFJ-WKWHHHHXSA-N 454.533 4.611 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](c4ccncc4)Oc4ccc(Br)cc4[C@H]3C2)c1 245298311 ZPXOTTBRQRSYEM-KNQAVFIVSA-N 452.308 4.801 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)cc1 526156313 JEWBHNIOIZYEMY-AREMUKBSSA-N 472.541 4.980 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526332295 CCIIVJHXWLMGKV-SANMLTNESA-N 487.556 4.785 10 10 JJCE CC(C)[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 707553364 WVGLZSLQDBPCOF-SANMLTNESA-N 464.654 4.909 10 10 JJCE COc1ccc(-c2csc(NS(=O)(=O)c3c(OC)ccc4nc(Cl)ccc34)n2)cc1OC 727241730 CBGHHNOBNMPSSW-UHFFFAOYSA-N 491.978 4.838 10 10 JJCE COc1ccc(Cl)cc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 1860086421 GMQCLOIVLRVWCI-RQZCQDPDSA-N 451.953 4.780 10 10 JJCE O=C(CCNCc1ccc(Cl)c(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860711486 YKUZECZRSBSCPM-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE CC(C)CN1N=C(C(F)(F)F)/C(=C/c2cc(Br)cc(Br)c2O)C1=O 1865672450 DKKVTJQSJDINTN-WMZJFQQLSA-N 470.083 4.717 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](N)CCSC)sc(C)c1-c1ccc(Br)cc1 1865920530 IYDVXJBNPVIGDZ-AWEZNQCLSA-N 471.442 4.682 10 10 JJCE CCCCNC(=O)COc1cn(CCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870950235 PXSXVFUYAFITQG-UHFFFAOYSA-N 462.594 4.909 10 10 JJCE COCCCN1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420089 ITAROAFSJDXCLF-UHFFFAOYSA-N 463.965 4.976 10 10 JJCE COc1cc(/C=C2/C(=N)N3N=C(C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)SC3=NC2=O)cc(OC)c1OC 2059072241 WIHSPZSNIOHXHR-YYIFWBEMSA-N 480.590 4.548 10 10 JJCE CN[C@H](c1ccc2c(c1)CCN2C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2163134034 UCRNVXQWMSKSPN-NAKRPHOHSA-N 465.638 4.783 10 10 JJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 2296934909 MGFMXNXCHZGZFV-UHFFFAOYSA-N 484.419 4.661 10 10 JJCE Cc1c(Br)ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c1C 2313548654 BDCRJOAVKOCQMZ-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc2NC1=O 11857623 ZJWJNGXRMNBMNW-VIFPVBQESA-N 470.359 4.637 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc2c(c1)NC(=O)CO2 11858043 FALFISJVSMGUNY-UHFFFAOYSA-N 457.577 4.548 10 10 JJCE CCOC(=O)[C@@H](NC(=O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(NC(C)=O)cc1)C(C)C 23446479 WXNFIJWGTGMFLN-MHZLTWQESA-N 493.579 4.878 10 10 JJCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C)cc4Cl)n3)CC2)cc1 33309940 MTENVGFTWNFNLJ-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)c2C)cc1 33926497 BDDXHHDQEWXEOL-HAHDFKILSA-N 487.512 4.786 10 10 JJCE O=C(O)c1cc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)N=C3O)o2)ccc1Cl 59862032 CBLCPWDDNPHCMY-QGOAFFKASA-N 464.861 4.843 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)C(c3ccccc3)c3ccccc3)C2=O)c1 62049782 VLXHSIIQGXZCOK-PTGBLXJZSA-N 488.634 4.845 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1OCC 1858589555 YMQUSBIMTWJCSL-XSFVSMFZSA-N 458.561 4.836 10 10 JJCE CCCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860767765 HBORNZBYOJUXGN-UHFFFAOYSA-N 481.574 4.888 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419304 YZCNNSRURNJOHG-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE CC(C)(C)OC(=O)N1Cc2sc(=NCc3cc(Br)ccc3O)[nH]c2C1(C)C 1916972270 GDHMFJRDFKMWAS-UHFFFAOYSA-N 454.390 4.631 10 10 JJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C1(C)CC1 2079603810 QAWLEFHUKHZFNK-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297511406 ITFDDJZSIHOPJZ-UHFFFAOYSA-N 480.977 4.537 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 39835835 MENGVSZJTLONDW-QGOAFFKASA-N 451.573 4.715 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)o1 96834219 CJJXJUIXAXUHPJ-BOPFTXTBSA-N 451.366 4.509 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@H]1c1ccc(N(C)C)cc1 526478533 GJYBXPFDNPDSMN-RUZDIDTESA-N 488.540 4.614 10 10 JJCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1 1083947690 OZCYLFVEKIRHDL-AQTBWJFISA-N 471.351 4.911 10 10 JJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(C)C)C2=O)c1C 1084538410 LOZWWLISGQZHCL-WJDWOHSUSA-N 457.324 4.520 10 10 JJCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4cc(Cl)ccc4OC)n3)ccc21 1859573566 MIECYVAUDVFXGK-UHFFFAOYSA-N 477.995 4.572 10 10 JJCE CCc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347291 HWWGFZDCKTVILT-MUUNZHRXSA-N 464.569 4.989 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)OC5CCCCC5)c(C)c34)CC2)cc1 1865776620 VCKMQSLINWWFJV-UHFFFAOYSA-N 466.607 4.824 10 10 JJCE CCOc1ccc(C(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874730924 MHHWAGQUCKYGBF-UHFFFAOYSA-N 488.584 4.708 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951859493 ZYSREGKMWYGKSB-RUZDIDTESA-N 462.458 4.529 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2079999395 XAWIYPZBQUXBMT-CYBMUJFWSA-N 468.335 4.864 10 10 JJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163150964 BOGIQUNBKADHCV-LSYYVWMOSA-N 464.654 4.717 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1Cl 2296398023 NTGPWEZBFVNCGF-UHFFFAOYSA-N 470.312 4.518 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 2296881630 SEVYZBKEPIUCLW-UHFFFAOYSA-N 486.615 4.559 10 10 JJCE CCN(CC)C(=O)[C@H](C(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580070 LADXTTAIAHTFBH-INIZCTEOSA-N 455.443 4.543 10 10 JJCE O=C1C[C@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2314399405 XQZXUKMSINVUKX-HNNXBMFYSA-N 496.919 4.892 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 2314769948 XGCLDSWIIIYSRN-UHFFFAOYSA-N 478.389 4.704 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc(Br)c1O 2332107018 FXVREFGYBZASJA-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2509065 IWYWQCUZYJVXFM-QZQOTICOSA-N 452.601 4.540 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468581 SYSWAMAKDPHWER-JXQFQVJHSA-N 470.591 4.524 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3C)CC2)cc1 15727913 WKXWNFNKNLBSSZ-UHFFFAOYSA-N 469.541 4.965 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1C 33386523 GKQFRQJUFGMMBK-GHVJWSGMSA-N 491.638 4.803 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1 102470079 HHEHRRXAQRRWJN-XNUZKYAUSA-N 484.537 4.985 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 102843585 PGSFBDVNVJXDBB-SAPNQHFASA-N 453.614 4.847 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 109939122 GQTGCFZLOKFRPS-HXUWFJFHSA-N 464.997 4.697 10 10 JJCE CCCCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C 138069197 RFVGKJPQKRIUCS-UHFFFAOYSA-N 475.513 4.660 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC 206860559 GHLGGCRHOVEDRJ-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 226845228 MNDYFNIZAISWRY-IMWIBFENSA-N 469.563 4.548 10 10 JJCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@@]32CCC(=O)NCc2cccnc2)cc1 1614975402 ZMBNSMGNAGOMJJ-MDULWEFBSA-N 492.708 4.670 10 10 JJCE CC(C)=CC(=O)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858909086 RJRAIRZTXHVWEI-UHFFFAOYSA-N 454.482 4.655 10 10 JJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1 1860086986 UDNQLYJHPVZPLZ-OVCLIPMQSA-N 452.326 4.781 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccccc1 1860760269 YNJRDXUXLAERNA-CBVHJVASSA-N 454.592 4.780 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccccc1 1860760270 YNJRDXUXLAERNA-OYSPMZIOSA-N 454.592 4.780 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1868481604 XDKUIRMSHLIJPJ-AREMUKBSSA-N 478.556 4.787 10 10 JJCE NC(=O)COc1cn(CCC2=CCCCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871117821 VQCZDIXEXKKSSZ-UHFFFAOYSA-N 472.589 4.959 10 10 JJCE COc1cc(C=C2SC(=S)N(CCN(C)C)C2=O)ccc1OCc1ccccc1Cl 2040484264 ZHRYXBRJFQCGMF-UHFFFAOYSA-N 463.024 4.690 10 10 JJCE CCCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 2053513290 LPVYRKRHRBEQIE-HNNXBMFYSA-N 476.532 4.708 10 10 JJCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2c(O)ccc3ccccc23)C1 2205549960 QNMGXGAQEBDWHH-HSZRJFAPSA-N 461.606 4.757 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2296882434 VBIFQJHZJCMSRD-CYBMUJFWSA-N 452.897 4.573 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2c1 38732327 FUEUFHGREZEALC-QJOMJCCJSA-N 475.639 4.824 10 10 JJCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 97478431 IYOPSDLYZKBKGX-QCTYTHNYSA-N 487.928 4.622 10 10 JJCE CCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl 101346722 XIHFIIJLZOFOBK-BOPFTXTBSA-N 462.731 4.998 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526224705 BCDCERFOWYXANS-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)cc2)c1 1860865567 PXMONCQUULUCFS-UHFFFAOYSA-N 462.981 4.621 10 10 JJCE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865933192 ZTMRCVDQTKMLDQ-VBKZILBWSA-N 491.817 4.575 10 10 JJCE Cc1nc2ccc(N3C[C@H](C(=O)Nc4ccc(Cc5ccc(N)cc5)cc4)CC3=O)cc2s1 1866259362 PNHJOXMPGNAOHK-LJQANCHMSA-N 456.571 4.769 10 10 JJCE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868175582 XOHLGTZHBOYNAY-UHFFFAOYSA-N 477.542 4.504 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168456 WFZCFHOHJCFTNU-BWKNWUBXSA-N 469.585 4.704 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C[C@@H]1C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952233165 FRBJFSGTEZILOA-PMAPCBKXSA-N 473.525 4.658 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)cc1C 2079986942 VJSMVHLHHYFDOD-IBGZPJMESA-N 465.379 4.926 10 10 JJCE CCCN[C@@H](c1ccc2c(c1)CCN2C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106857569 MECXTYWXOCOXBS-ZCYQVOJMSA-N 453.627 4.830 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 16401618 TZFHIVLBCZEYIP-JOCHJYFZSA-N 460.317 4.644 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)cc2)SC1=S)c1ccccc1 34866798 GOEKEYVXYMLWHB-XLNRJJMWSA-N 460.580 4.854 10 10 JJCE Cc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 39920684 JJEMXGGWYRVELE-JOCHJYFZSA-N 479.378 4.735 10 10 JJCE COc1ccc(OCCN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1858587145 OQJRLOXWOWOZFD-OQLLNIDSSA-N 466.009 4.646 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 1858589153 PARFLMMLGRVHNA-WNSCPLKPSA-N 454.617 4.896 10 10 JJCE COc1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347188 AWJFPXLMQPUNKK-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867016107 UIVKRBQORRAEEB-SBUREZEXSA-N 460.574 4.902 10 10 JJCE COC(=O)COc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871471 MBQGOTRHRWTZKN-UHFFFAOYSA-N 487.531 4.943 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccc(O)cc2)cc1OCCCO 1871267151 KCCZQFIOAHNQSG-UHFFFAOYSA-N 471.557 4.719 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(CSCc4nc5ccccc5[nH]4)c3)CC2)cc1 1872887232 XTEGYQIEYXCRRB-UHFFFAOYSA-N 472.614 4.967 10 10 JJCE CC[C@H](C)N1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165582 QAJXZRPDTHXELY-SFHVURJKSA-N 485.584 4.549 10 10 JJCE CCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169612 RMFWPZBNVMMTQJ-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Br)ncc1Br 1891232450 HJUATOOGJZFCFJ-ZFWWWQNUSA-N 465.189 4.525 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079017150 YHBWGIAEJBCGPP-QGZVFWFLSA-N 480.346 4.729 10 10 JJCE COCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 2314509557 WECNXRRVXFZVAL-UHFFFAOYSA-N 495.626 4.650 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473533 FWUMVHNYNMJDQU-DDOIHHOZSA-N 453.926 4.984 10 10 JJCE CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 40888490 KFKBTDHSSOKNQZ-STZFKDTASA-N 471.600 4.819 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413703 LDYHCBPIOCDDSJ-QFIPXVFZSA-N 488.642 4.810 10 10 JJCE CCOC(=O)N1CCN(c2ncnc(Nc3ccc(/N=N/c4ccccc4)cc3)c2[N+](=O)[O-])CC1 101486655 GRAHGXODJZMNNV-BYYHNAKLSA-N 476.497 4.822 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2)c1 245297596 UFKCRTAIPXIATK-FNZWTVRRSA-N 462.502 4.669 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526571080 ISANLNDQNCRFTM-XMMPIXPASA-N 460.486 4.512 10 10 JJCE Cc1cccc(Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 1084212122 DFJWHTWWZOOZDL-STZFKDTASA-N 469.541 4.968 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c4c(nc5c(Cl)cccc35)CCOC4)cccc21 1859616484 LEGCJPYAKFYLPO-UHFFFAOYSA-N 468.896 4.989 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)sc(C)c1-c1ccc(C)cc1 1860630721 GKNUDCCRFZLFEU-UHFFFAOYSA-N 468.497 4.558 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccc(Cl)cc1 1860765738 ORMRHYSHJOSDJI-UHFFFAOYSA-N 493.010 4.528 10 10 JJCE CCCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 1860767715 DURZUJBZEYQHHI-UHFFFAOYSA-N 467.547 4.661 10 10 JJCE CC(C)COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1 1860839081 IRMMEMXSLSOUNC-UHFFFAOYSA-N 459.590 4.899 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1O 2040446261 DZSHLCOFOPWNCJ-UHFFFAOYSA-N 480.361 4.657 10 10 JJCE CC1=NN2C(=N)C(=Cc3ccc(OCc4cccc(C)c4)c(Br)c3)C(=O)N=C2S1 2293128374 QLNHTRJIETYKQK-UHFFFAOYSA-N 469.364 4.976 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1 2297469943 INIHUAXXTHZCGD-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE CCOc1c(I)cc(C=C2C=C(c3ccc(C)cc3)OC2=O)cc1OC 2313510520 NPVSQRQMWDSSQE-UHFFFAOYSA-N 462.283 4.988 10 10 JJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2321569920 RPCGSCHEAICMKI-UHFFFAOYSA-N 454.617 4.902 10 10 JJCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)cc1 15732320 YPIKDQQCGANATL-UHFFFAOYSA-N 474.630 4.643 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 20235992 NDOAHZJBRASBPM-GUOILJMFSA-N 469.950 4.970 10 10 JJCE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)cc4)C3=O)o2)ccc1Cl 33286163 UXLGAWWLUWLREP-CPNJWEJPSA-N 450.878 4.547 10 10 JJCE Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 33404116 ADVQNDUWPRHLHW-IMRQLAEWSA-N 466.585 4.672 10 10 JJCE CC(C)(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 33750446 ODAYRFNUUYUWNW-TZRRMPRUSA-N 497.522 4.818 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1C[C@H]1CCCO1 59109229 IUPPIVSFCLWTCS-NPBUNYCVSA-N 488.407 4.718 10 10 JJCE COCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C 97996487 DYHVVFVBVGUSIK-QXMHVHEDSA-N 462.575 4.894 10 10 JJCE CCCc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)s1 211939435 RSISQKBCYXTIPY-ZZEZOPTASA-N 494.667 4.986 10 10 JJCE CC(C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586633347 XZEPZYNIIODLDF-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cc2)C1 730481644 KMCHQQCXHDJTSO-CJFMBICVSA-N 495.982 4.617 10 10 JJCE CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 1159308637 JLLKILAXHDDUHB-UHFFFAOYSA-N 450.608 4.512 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 1865679231 BSJMHVXNQIDPNI-WDZFZDKYSA-N 485.777 4.503 10 10 JJCE CCOC(=O)c1c(NC(=O)C2(C(=O)OCC)CC2)sc(C)c1-c1ccc(Br)cc1 1866169229 VLTGHYIAMDJAPD-UHFFFAOYSA-N 480.380 4.945 10 10 JJCE CCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867373720 QTFZBZPNPQKXFJ-LOSJGSFVSA-N 485.072 4.648 10 10 JJCE CC[C@H](C)N1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168945 QURUNVWVSOKHOJ-SFHVURJKSA-N 487.600 4.780 10 10 JJCE O=C(O)CC[C@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951659873 YTRJLEWFRTWGKX-HNNXBMFYSA-N 487.144 4.750 10 10 JJCE C[C@H](CC(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951829377 IBFMETDBMUQPSI-WAIKUNEKSA-N 461.514 4.658 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1 2040467062 UXHSBZNKHHDXBA-UHFFFAOYSA-N 499.617 4.752 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)cc1C 2080009270 YHZJMUGODOJWDZ-SFHVURJKSA-N 466.363 4.743 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)cc1 2294092654 GLOAUWQWFDMUQZ-UHFFFAOYSA-N 483.446 4.788 10 10 JJCE Cc1cccc(OCCn2cccc2C=C2C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1 2297500157 NZQDZJICEMLIBZ-UHFFFAOYSA-N 475.599 4.799 10 10 JJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836178 BEEAVZMNDFZAIY-HNNXBMFYSA-N 481.624 4.951 10 10 JJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1 2314931835 RJYJETFRXAIXMY-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 13639304 LHXUYGXJGVTVRO-GXJJEBCYSA-N 489.435 4.733 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N3)CC1 14477571 XQGJUWNQPIJFCY-IUKKYPGJSA-N 478.445 4.756 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20287091 BFTQDPJOZNEMEP-HKOYGPOVSA-N 475.574 4.771 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39990106 YSHUARYMDYSMGH-BFURNPMBSA-N 472.680 4.532 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4cccc5ccccc45)c3[N+](=O)[O-])CC2)cc1 40611168 KFELXXCWLOHLJM-UHFFFAOYSA-N 456.506 4.617 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1 59536586 UKLGKOZMTZOEAK-MOSHPQCFSA-N 480.879 4.733 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OCC)C2=O)cc1OC 206717680 NCHNGLJGLZDXHR-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1860758550 NMFIACMFTAEAGD-UHFFFAOYSA-N 481.412 4.908 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2c3c(nc4c(Cl)cccc24)CCC3)c2nccn2C)cc1 1866275213 KUSSGFPGXPUKGR-HSZRJFAPSA-N 459.981 4.696 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCc3ccccc3)CC2)cc1 1870610908 SAONCUULBPBHQY-UHFFFAOYSA-N 487.644 4.767 10 10 JJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873164720 OYFBCZNIZMUIML-UHFFFAOYSA-N 485.584 4.883 10 10 JJCE CN(C)c1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873894680 UYONZUPIWGUZAV-LJAQVGFWSA-N 493.611 4.883 10 10 JJCE CC(C)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2042447347 OFQMXLJIUSQZOS-MRXNPFEDSA-N 459.545 4.589 10 10 JJCE COc1ccc(O)c(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c1 2079718109 NSUZGRYVHWHMLB-UHFFFAOYSA-N 454.230 4.567 10 10 JJCE N=C1C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297498725 TXEQSIWKHWCPKZ-UHFFFAOYSA-N 469.788 4.690 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144695 FYOVYNPPVAIHFX-UHFFFAOYSA-N 494.301 4.906 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(Br)c3)C(=N)N2O1 20236768 LMZYLJADBKXZIQ-BMXMFTLKSA-N 482.334 4.666 10 10 JJCE C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 35562091 ZTAVWJJQRXLPED-KRWDZBQOSA-N 467.013 4.692 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(C)n1-c1ccc(F)cc1 62694656 ORBSSTBWLKOMDP-UHFFFAOYSA-N 471.935 4.666 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 64872766 TUMGBNOEQMIAMZ-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c1C 95547167 XODXATQRPVJXDQ-RGVLZGJSSA-N 477.517 4.911 10 10 JJCE Cc1nc2c(cc(OCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c3ccsc32)s1 248086930 WUFDUULEWPLPPC-UHFFFAOYSA-N 467.616 4.693 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526147543 NGLCIKQMKPHADC-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 1084600440 ZIYWMPXNYPKOAE-MOSHPQCFSA-N 495.304 4.834 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@H]34)c(O)ccc12 1614472789 JDSTWRDZSUZODG-RCZVLFRGSA-N 470.654 4.944 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4C(C)C)c4ccccn34)CC2)cc1 1858227440 YKKZAHMOFYBVGR-UHFFFAOYSA-N 497.599 4.681 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(ccc4ccccc43)c2=O)N2CCCCC2)cc1 1866076976 YFVAIWNFMNZPFV-AREMUKBSSA-N 468.601 4.704 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(Oc5ccc(Cl)cc5)CC4)nc(C)n3)CC2)cc1 1869289405 NOPKTNUZAJMMMO-UHFFFAOYSA-N 494.039 4.821 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCc3ccccc3)C2=O)cc1 1873165460 KCCMDCYWEDXRQN-UHFFFAOYSA-N 485.628 4.821 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168147 KTWYSEUHLHSQFS-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE CC[C@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2079006659 GIKFBQNKYLOPEH-CQSZACIVSA-N 454.308 4.555 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2196843175 PQEJFAKPSUBYSP-IBVKSMDESA-N 476.662 4.510 10 10 JJCE CCN1C(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S 2293188496 LYPGOEVRWNZEMT-UHFFFAOYSA-N 498.445 4.746 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2294204895 QEVYIXMWSFXXCC-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2296777121 JYDOPSFZVJNTIA-UHFFFAOYSA-N 491.931 4.591 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 2297470633 BEGJARTWGNWPEI-UHFFFAOYSA-N 459.984 4.696 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2314509700 XBZHNCGMDKMPQZ-UHFFFAOYSA-N 455.536 4.627 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 2314837913 YDSKSPFTCTZMLU-GFCCVEGCSA-N 496.532 4.951 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCn3ccnc3)C2=O)ccc1OCc1ccccc1 2323840142 PTCNSASCQAMAQV-UHFFFAOYSA-N 465.600 4.762 10 10 JJCE Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 6430581 NLIHRIWXSWARHC-UDWIEESQSA-N 464.522 4.612 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1 20236366 XZXZFTNBLIOJER-YJFMCDHMSA-N 467.909 4.647 10 10 JJCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990387 RFBRUUFOLYHCDV-BKUYFWCQSA-N 486.707 4.922 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 40324404 WYFYUHXELBOKQW-XKZIYDEJSA-N 493.610 4.566 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1ccccc1C(F)(F)F 210695214 UTWGNFOJSLSKRH-LFIBNONCSA-N 452.479 4.641 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226738536 ZUIOAQHCRKHKDE-HYFFOGBASA-N 459.955 4.859 10 10 JJCE Cc1cc(CCNC(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)c(C)n1-c1ccccc1 726157481 MIMYKWYUSMVODJ-OAQYLSRUSA-N 476.646 4.565 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918735236 FXHAKGNDRTWDFO-MDWZMJQESA-N 458.508 4.895 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3nc(-c4ccc(Cl)cc4)n4ccccc34)CC2)cc1 1858114973 BKDVCRBZUCRIEU-UHFFFAOYSA-N 460.965 4.555 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 1862147286 QZYZEPZWGMHQLN-NDMUKNDCSA-N 490.003 4.568 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868877152 LXFLIZMGWGYRFC-VWLOTQADSA-N 498.067 4.866 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(Cl)ccc1O 1873908802 MQACEGQQTOVSFN-UHFFFAOYSA-N 470.916 4.572 10 10 JJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952545808 VDYOFAZYFFALER-FQEVSTJZSA-N 462.458 4.745 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](CC)c2ccc(C)cc2O)c1I 2078982669 VJCLROPBTRUAHT-CQSZACIVSA-N 456.324 4.801 10 10 JJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C(C)(C)C 2079635935 XCTYNVRONOFMST-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)cc1C 2079977441 LZWDLXIEZZYXCM-KRWDZBQOSA-N 466.319 4.775 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1C 2296537581 YODWBDLMICYCLV-KRWDZBQOSA-N 469.584 4.603 10 10 JJCE CN(C)c1ccc(C=CCN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 2297517489 PWKMTMZADXNRPM-QHCPKHFHSA-N 451.684 4.623 10 10 JJCE COCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S 2297559743 FDHCSMGFVKYHHG-UHFFFAOYSA-N 467.971 4.914 10 10 JJCE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314831671 PPXJUMSTCTUWIV-UHFFFAOYSA-N 492.622 4.955 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Br)ccc2O)[nH]1 2362645328 PTNSUDFELDCTMW-INIZCTEOSA-N 456.406 4.867 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1 1166756 XWGGLRKPDFLOBR-XNTDXEJSSA-N 497.267 4.983 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14458851 NSRINMXZOQSNGX-WZOHSFFVSA-N 454.592 4.838 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S 33811858 VYZFEGBUCCJFKZ-SBGXLDQMSA-N 486.707 4.973 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccc(C)cc1 1860652571 OFNATLMPZNHSFT-FQEVSTJZSA-N 477.586 4.704 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccc(Cl)cc1 1860746814 GAGSBDVNPTZCTP-UHFFFAOYSA-N 484.961 4.918 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc(OC)c1OC 1865668088 GCBSUMHGHKKBFS-NVNXTCNLSA-N 454.832 4.710 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422569 DEMGJEIWPLHFNS-UHFFFAOYSA-N 479.527 4.991 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1C 1873427766 ZWQXMQCTGMBLQE-UHFFFAOYSA-N 482.628 4.997 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N1C(=O)OCc1ccccc1 2106880339 IIJATXNQNDDEFH-WOJBJXKFSA-N 494.636 4.798 10 10 JJCE Nc1ccc(C[C@H](O)c2sc(Br)c(Br)c2Br)cc1 2222454650 FGZGBLBNKQPVPS-QMMMGPOBSA-N 455.997 4.894 10 10 JJCE CCOC(=O)c1ccccc1NCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=S 2297451062 PXRHTYLOGZPTSP-UHFFFAOYSA-N 469.632 4.980 10 10 JJCE Cc1ccc2nc(NC3CCCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413678 DQSVYWLVNRHJPG-UHFFFAOYSA-N 494.617 4.898 10 10 JJCE CCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OCC 2314769558 RWTPZNZZDZYZLA-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2314932805 YXGLSJQNQSHADY-UHFFFAOYSA-N 453.463 4.965 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 2332106994 CBXSCBACAPTEBG-UHFFFAOYSA-N 455.230 4.507 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639306 LHXUYGXJGVTVRO-YPIYEQTHSA-N 489.435 4.733 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643834 UJDDTMOQAJLNAM-UMFSSWHCSA-N 451.636 5.000 10 10 JJCE CCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c2ccccc21 33335116 UKOMOXGHBQPWOH-FMQUCBEESA-N 479.627 4.657 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S 40066423 KZTVFXADJQXLRJ-MOSHPQCFSA-N 466.632 4.662 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCCC)SC1=S 40938350 JJYNVRZEUMJAJM-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE O=C1[C@@H]2ON(Cc3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1C1CCCCC1 43254201 JYHMXYGDUORSPD-RZUBCFFCSA-N 475.372 4.874 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133697 AKPNUFRSRGXNGN-ZHZULCJRSA-N 490.610 4.845 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4F)n3)CC2)cc1 110357517 HDNQFBDWZWECFU-KPKJPENVSA-N 494.592 4.774 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC 206930615 USSRVCXUWLNCQW-XSFVSMFZSA-N 456.589 4.729 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 210464965 IQJNTFRYMVNHQJ-NDENLUEZSA-N 471.556 4.547 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1OC 210758793 MRWCPQVUBRPCBO-CJLVFECKSA-N 484.643 4.782 10 10 JJCE CCN(CC)C(=O)[C@H](C(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606672035 LADXTTAIAHTFBH-QZFKAFNDSA-N 455.443 4.543 10 10 JJCE C[C@H](Nc1cc(I)cc(I)c1)c1cc(F)ccc1O 690415956 GXSXACOUHFFRFV-QMMMGPOBSA-N 483.062 4.914 10 10 JJCE Cc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860502094 HOSNMXNTKLSUDP-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865927622 YBAGSEVZVSULTG-HNNXBMFYSA-N 493.423 4.858 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868664936 NCGANDCCMZYBKV-HSUOJCLFSA-N 489.660 4.595 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420053 HMCKEUXGOIMJDR-UHFFFAOYSA-N 463.965 4.976 10 10 JJCE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875209886 NTDBTTKQXJIXOQ-UHFFFAOYSA-N 478.641 4.660 10 10 JJCE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052981 QXGYHHPMYLMZAL-INIZCTEOSA-N 484.334 4.587 10 10 JJCE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194922232 FMQGHOLVNNQDTC-IRLDBZIGSA-N 478.678 4.662 10 10 JJCE O=C1C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296851551 YXPYDVXQFMQCJR-UHFFFAOYSA-N 479.514 4.620 10 10 JJCE CCCCNC(=O)[C@H](C(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580019 HLFLSFNOMNAZHW-INIZCTEOSA-N 455.443 4.591 10 10 JJCE CCCC1=NN(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105140 BKDCQXKYGDLZDI-UHFFFAOYSA-N 483.996 4.646 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@@H]21 14544177 SPOZWBMYPAHOHQ-UXWDXCIHSA-N 489.641 4.611 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 15046063 HOEYSIQBCNBQQL-OTWJJXBCSA-N 462.980 4.673 10 10 JJCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 15046409 LQSMJGUCECTUDA-MTUBTWAWSA-N 482.505 4.648 10 10 JJCE CC/C(NC1Cc2ccccc2C1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 21345200 HHTJCTZCYXEDDA-MNDPQUGUSA-N 456.493 4.982 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NC3CCC(C)CC3)nc12 33490842 ZFWSYKUHDAUQDL-XDHOZWIPSA-N 470.664 4.851 10 10 JJCE CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2CCCS(=O)(=O)O)SC1=S 85391549 GOROYEGAMLJULZ-ICFDZUSXSA-N 492.669 4.635 10 10 JJCE CCOC(=O)[C@@H]1C(C)=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@H]12 247958820 NKKIDFXTBGPCJK-XPGKHFPBSA-N 458.514 4.885 10 10 JJCE CN1C(=O)/C(=C\c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)SC1=S 1081156791 GXZOBTCNWJYOOO-VXLYETTFSA-N 455.992 4.625 10 10 JJCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 1084353920 NHYQWHIHNKYUKZ-NDENLUEZSA-N 496.336 4.971 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 1084640441 UZGULYPOYPKHFG-RGEXLXHISA-N 487.350 4.693 10 10 JJCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C\c4ccccc4)SC3=S)C2=O)cc1 1772759312 OZIACEZHCGTTJS-OIYLUVQRSA-N 478.595 4.565 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)sc(C)c1-c1ccc(C)c(C)c1 1860749070 QOERWJSYXSOJCX-UHFFFAOYSA-N 497.529 4.621 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873164544 GZQTXTKLMGVQEJ-UHFFFAOYSA-N 457.574 4.773 10 10 JJCE CCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421481 AKLWZZIPXVLYCH-UHFFFAOYSA-N 456.546 4.655 10 10 JJCE CCOCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422514 BHDBBWNRCWCWSE-UHFFFAOYSA-N 485.584 4.915 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427494 PBALIBGCCHWNOY-UHFFFAOYSA-N 490.554 4.659 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079998715 BYFHMLHWSNEMDM-SFHVURJKSA-N 484.334 4.501 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080003587 OPBVSDIKAJYWDT-QGZVFWFLSA-N 481.378 4.596 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080024482 JHAKZFHIEBQCHJ-LJQANCHMSA-N 496.345 4.646 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)cc1C 2080053696 KKNCTYGLCSHIHL-HNNXBMFYSA-N 481.300 4.923 10 10 JJCE Cc1c(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)n(C)c2ccccc12 2205688019 FIIRPTQYUNGASV-UHFFFAOYSA-N 474.646 4.775 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCCCC3)nc12 2296717003 WWVKIJCIZJFNER-UHFFFAOYSA-N 468.648 4.527 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OCC 2296717948 VVGVFEZNCMERMS-UHFFFAOYSA-N 495.626 4.688 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)NC1CCCCC1 2296881744 YRGNQRJNVDLHLC-UHFFFAOYSA-N 467.454 4.879 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1 2296940758 LQLSAGROPGFKCF-UHFFFAOYSA-N 471.410 4.918 10 10 JJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(C)cc4)C3=O)o2)ccc1Cl 2297296525 UXLGAWWLUWLREP-UHFFFAOYSA-N 450.878 4.547 10 10 JJCE COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(N(C)C)cc1 2297452749 GFXWBBBFVAANRL-UHFFFAOYSA-N 490.428 4.833 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)NCCc1cc2ccccc2[nH]1 2297579960 ATHVVCQTWFRNQC-UHFFFAOYSA-N 470.019 4.772 10 10 JJCE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314401292 WZFUUJZVXNDRES-QGZVFWFLSA-N 476.627 4.566 10 10 JJCE COc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1OC 2332140320 VPZSKWZUSUQZNB-UHFFFAOYSA-N 455.230 4.815 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3cccc(C(=O)O)c3)C2=O)cc1 33457372 WXBPINHDNXKEBH-STZFKDTASA-N 456.454 4.779 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Cl)c(Cl)c3)c3ccco3)CC2)cc1 38606524 CXJHREGORUXSLM-JOCHJYFZSA-N 474.388 4.888 10 10 JJCE O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 109868517 FTFGQYFBLVQDIX-NDEPHWFRSA-N 477.520 4.836 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 206457169 IHOMLRQSJYJTBL-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 206858043 QQOOPLJZNUICQS-STZFKDTASA-N 471.600 4.737 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 213155032 AWFUNDGIHRIGDJ-LGMDPLHJSA-N 455.536 4.627 10 10 JJCE CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 1084101045 DDIMNGQZWKGPQL-AQTBWJFISA-N 469.328 4.517 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1527481594 OGCBVTZSICBKBF-IAGOWNOFSA-N 452.526 4.555 10 10 JJCE C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCOC2)n1CCCSc1nccs1 1690754793 IGUKGOIFNVNMAI-PUWPPSGDSA-N 455.653 4.961 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705548223 ZRYPUJJPMHSCFF-XMMPIXPASA-N 490.652 4.971 10 10 JJCE COc1ccc(N2CCN(C(=O)CN(C(=O)c3cccc(Cl)c3)c3ccccc3C)CC2)cc1 1858112852 XHZPIQPSJUYGRM-UHFFFAOYSA-N 477.992 4.653 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1OC 1858588283 XLHIHHWEOHIZOM-AGKWGAAGSA-N 487.599 4.910 10 10 JJCE Cc1cc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)ccc1[N+](=O)[O-] 1860087754 RSXJDWZBNGCZIT-AWNIVKPZSA-N 450.954 4.980 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873164367 YHFZNQVLKHJMRO-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873164719 OVFXQTTYFMNOIB-UHFFFAOYSA-N 476.665 4.830 10 10 JJCE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873579478 LYBJJNBCEJMCLZ-UHFFFAOYSA-N 492.668 4.733 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2079879261 AGJFRUADJGPKLH-HNNXBMFYSA-N 494.276 4.562 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(Br)cc1O 2297512841 CWZSCLFNRVYDGY-UHFFFAOYSA-N 465.394 4.635 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC 2332139238 KTIMOAHAFVCJEL-UHFFFAOYSA-N 493.604 4.927 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)c1 14472799 ZUIOAQHCRKHKDE-GSHUGGBRSA-N 459.955 4.859 10 10 JJCE CCc1ccccc1-n1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O 18812191 AVZLCNXSJRQJEN-UHFFFAOYSA-N 486.641 4.765 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 27515573 SGUYCDQTDRLNPG-LTGZKZEYSA-N 450.564 4.685 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)cc1 58321385 FUPRGZZOBCATDB-HHHXNRCGSA-N 455.514 4.799 10 10 JJCE O=C(/C=C/c1ccc(Br)s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933428 ZNFHAQRLOQAVDL-GQCTYLIASA-N 475.330 4.696 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C\c1nc2ccccc2c(=O)n1CCc1ccccc1 97475171 IOCPUJRFSSDHEO-HMMYKYKNSA-N 472.342 4.894 10 10 JJCE COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 101112750 FMROVRHLWGUANH-JWGURIENSA-N 476.558 4.523 10 10 JJCE CCOC(=O)c1sc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)nc1C 105570838 XLPHGAGXLFQHOA-DPQBTTMVSA-N 468.564 4.935 10 10 JJCE C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205958325 PZWUMFLUNJGVCI-CJLVFECKSA-N 457.446 4.948 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1cc2cc(Cl)ccc2[nH]1 606618882 HTDZXELPMRZGMM-PDGQHHTCSA-N 476.048 4.833 10 10 JJCE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1C(=O)c1ccc(Cl)cc1 1081112820 LYMKFICUPQDVOH-ZROIWOOFSA-N 485.755 4.986 10 10 JJCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 1084098949 NHJDVPPRWWSFAC-AQTBWJFISA-N 471.351 4.911 10 10 JJCE O=C(CCNCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860711656 HIDSNRNYHXPXDM-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE COc1ccc(/C=C(/C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1 1865912116 WNGXEUYIHVZNKW-ZWYXHSNQSA-N 466.585 4.941 10 10 JJCE CCCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899263 DHHWRNGRFLCXKT-KAYWLYCHSA-N 478.681 4.693 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970725 OLOAISXZQGLSTM-UHFFFAOYSA-N 488.979 4.508 10 10 JJCE CC(=O)NCCn1cc(OCC=C(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871061663 JFLKZGGDNGUMTH-UHFFFAOYSA-N 460.578 4.685 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170296 URIJGCIEMFONPS-CLOONOSVSA-N 468.601 4.938 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2c([nH]c3ccccc32)c(=O)s1 1874179826 RAFLIBHFOAYZFT-UHFFFAOYSA-N 450.475 4.771 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnn(-c4ccccc4)c3-n3cccc3)cccc21 1874180071 YROWSWQPPPTECS-UHFFFAOYSA-N 458.477 4.691 10 10 JJCE CC(C)(C)OC(=O)N1Cc2sc(=NCc3cccc(Br)c3O)[nH]c2C1(C)C 1916974015 WNYBXYYRDVNKRQ-UHFFFAOYSA-N 454.390 4.631 10 10 JJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951664055 STPWAMQPSGIEES-JOCHJYFZSA-N 462.458 4.745 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNCc2cc(Cl)cc(Br)c2O)C1 2205240173 JOWRBPTUPYIAGS-VBKZILBWSA-N 459.812 4.935 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 2313507687 GEPZLOFHAGHXQE-UHFFFAOYSA-N 451.866 4.895 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 2313683320 XGXAPKXEEWTNOH-UHFFFAOYSA-N 461.493 4.989 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC)C2=O)cc1 2314509587 WTQALBODPATRCZ-UHFFFAOYSA-N 451.573 4.579 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3csc4nc(-c5ccc(Cl)cc5)cn34)CC2)cc1 20555416 BLTBWFJOELECFJ-UHFFFAOYSA-N 466.994 4.616 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20708755 IPWYCTZWFPAMLP-KHCICDEESA-N 469.563 4.738 10 10 JJCE CCOc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 33323595 YHYANNLLULPVMN-GZTJUZNOSA-N 477.405 4.688 10 10 JJCE CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 33326924 GFJMJADENDIKTQ-KGENOOAVSA-N 482.627 4.834 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1 39875059 DZNCEKXNIKLTAN-PDGQHHTCSA-N 469.613 4.925 10 10 JJCE COc1cccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Br)ccc3O)C2)c1 65298123 BJMLSHZGPQPRNA-QFIPXVFZSA-N 472.427 4.888 10 10 JJCE biogenic CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413704 LDYHCBPIOCDDSJ-JOCHJYFZSA-N 488.642 4.810 10 10 JJCE CCOc1cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1OC 107980279 CPEVDEYWRDOJHR-DAXSKMNVSA-N 498.929 4.932 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(NC(=O)c4ccccc4C)C3=O)c3ccccc32)cc1 197802298 FQXYHJOFUSHGFS-GHVJWSGMSA-N 499.617 4.767 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccccc1OC(F)(F)F 205949180 PKHPLJSCJQDMIH-XDHOZWIPSA-N 490.463 4.847 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226740785 PSSVCHLUKGFNNV-DDOIHHOZSA-N 453.926 4.984 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 250537271 QWTLHSXJXPYURR-OUDXUNEISA-N 489.553 4.878 10 10 JJCE CC(=O)c1cccc(N2C(=O)C(O)=C(c3cn(C)c4ccccc34)[C@@H]2c2ccc(O)c(O)c2)c1 526437416 SDWGNIRNFIQJHE-VWLOTQADSA-N 454.482 4.849 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 1084487532 KODCQVPYYIHMKW-BOPFTXTBSA-N 465.849 4.791 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 1473374463 JWJSLAGAQHVDIA-HSZRJFAPSA-N 453.970 4.683 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(C3CCN(C(=O)OCC)CC3)C2=O)cc1OCC 1858591222 DXDYFPYFPXLWLT-HMMYKYKNSA-N 478.636 4.696 10 10 JJCE O=C1/C(=C\c2ccc(F)cc2F)SC(=S)N1c1ccc(I)cc1 1860074720 GQXMKVZIHJXFTE-VGOFMYFVSA-N 459.280 4.975 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cccc(C(F)(F)F)c3n2)N2CCCCC2)cc1 1866534261 UAWDNTNCEHNLIJ-JOCHJYFZSA-N 486.538 4.982 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868705367 IZJXRVUYCMTTBW-FTJBHMTQSA-N 483.628 4.598 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1Cl 1873421231 NABJDZXTDIUCPM-UHFFFAOYSA-N 477.008 4.810 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(C3CC3)C2=O)cc1 1873422436 XEKFSMGBSYFDKL-UHFFFAOYSA-N 451.448 4.866 10 10 JJCE Cc1cc(C=CC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)c(C)n1-c1ccccc1 2040474867 TWWJJTXIUSHKAE-UHFFFAOYSA-N 490.629 4.997 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)cc1 2296943213 LZGOWCAUAQCNQJ-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N2O1 2297347660 RAPPUGRRIZHGJX-UHFFFAOYSA-N 451.910 4.865 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2297577095 XAABOZLWOOKAFH-UHFFFAOYSA-N 470.616 4.941 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 2314509722 XNOHCFSIHMUXPA-UHFFFAOYSA-N 451.573 4.633 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 6508389 XGYKBAHBDGMRIF-PDGQHHTCSA-N 497.916 4.738 10 10 JJCE COc1ccccc1OCCCOc1c(Cl)cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc1OC 20236521 PQKIDEQXSCPGFM-BLBDVUBRSA-N 497.935 4.655 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33458373 NPZHLVFHSPVHBP-XDJHFCHBSA-N 497.667 4.782 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526350971 IXQQAJUFLNJNAM-RUZDIDTESA-N 472.541 4.995 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526407155 PYWULMKSERWFPH-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(Cl)s4)n4ccccc34)CC2)cc1 1858349249 RWOFMUKJDAYAHP-UHFFFAOYSA-N 452.967 4.687 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)sc(C)c1-c1ccc(C)cc1 1860652783 YUVOLVKUQBHJGK-GOSISDBHSA-N 466.559 4.902 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865867633 ANGSHYDBZMXVCO-CABCVRRESA-N 478.364 4.878 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981000 GAWIMLLEUUOBNN-BGYRXZFFSA-N 494.039 4.746 10 10 JJCE CCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680019 OTHDLWMXHBYXNJ-UHFFFAOYSA-N 491.632 4.502 10 10 JJCE COc1ccc(C)cc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287642 SEJAMHLWKBXCAV-CIAFOILYSA-N 470.616 4.878 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873167905 CFEGULGUOQPCOF-SFHVURJKSA-N 459.565 4.944 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080013221 ZTJVNYZKTVMDRS-SFHVURJKSA-N 498.361 4.892 10 10 JJCE O=C1C(=Cc2ccccc2I)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297303217 VZATYJMXCVJSFM-UHFFFAOYSA-N 468.297 4.605 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 2297341100 VGDROKVHOGTHFJ-UHFFFAOYSA-N 496.614 4.710 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 2297347545 GPUDTFZJODWLPP-UHFFFAOYSA-N 465.893 4.717 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 2297352733 QSISENRVNUMGLS-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(C)C)cc1 2313556549 CVOCDYUHIKIQMN-UHFFFAOYSA-N 471.513 4.613 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2321698487 UNCMBXNANIXEJP-UHFFFAOYSA-N 452.326 4.781 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 843432 JQASVRBFHRHQBQ-MTJSOVHGSA-N 460.446 4.518 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 15045949 PCTLPQDTZULFKU-MFVBVHDHSA-N 461.406 4.986 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 35638460 SFSYHZQMQIEQFR-XODOAZATSA-N 477.655 4.573 10 10 JJCE CCCCOc1cccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 54421826 LGHBOIGNVUWMNH-XMMPIXPASA-N 472.651 4.541 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC)cc2)[C@@H]1c1ccc(O)c(O)c1 526526495 QMFNEFSXLHLIRN-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cc(Br)sc1Br 917897680 FLXGNEZRYQSPFV-UHFFFAOYSA-N 470.189 4.790 10 10 JJCE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(N2CCOCC2)cc1 1860087477 ALMBLBJEETYQAQ-QGOAFFKASA-N 450.507 4.948 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)sc(C)c1-c1ccc(C)cc1 1860749842 DIIZIXCYBAZZTP-UHFFFAOYSA-N 477.464 4.810 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4cccc(Cl)c4)c3=O)cccc21 1861857426 BNTXNUXTCVUYCN-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(O)cc3[nH]2)sc(C)c1-c1ccc(C)c(C)c1 1866481180 XLRJEBJZFOGEBU-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE CC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866979287 ITZXCPUNLLWPFA-UKILVPOCSA-N 498.579 4.744 10 10 JJCE CCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867995885 ZUULNJUQRPJZMH-UHFFFAOYSA-N 489.664 4.595 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@H]2C)n1 1868228766 WJAJKDDUXWWRAE-CALCHBBNSA-N 456.546 4.733 10 10 JJCE C[C@@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C(C)(C)C)n1 1868340277 APVRSDKXKLLPCB-MRXNPFEDSA-N 456.546 4.518 10 10 JJCE CCCCOC(=O)c1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874008694 AWEAOLRROFKBPY-UHFFFAOYSA-N 480.520 4.602 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccccc4Cl)c3)CC2)cc1 1874731026 QSCLRHIVWXFWSN-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE CCOC(=O)c1c(C)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079107200 UOBXJNVFSLSOJF-INIZCTEOSA-N 456.324 4.622 10 10 JJCE CN[C@H](c1ccc2c(c1)CCN2C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2163134032 UCRNVXQWMSKSPN-LEAFIULHSA-N 465.638 4.783 10 10 JJCE COc1ccc(Br)c(CNc2cccc(F)c2I)c1O 2236051189 PLPKGOZXFFAWLP-UHFFFAOYSA-N 452.061 4.519 10 10 JJCE Cc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2294143789 IUXBWCXMJBZOPE-UHFFFAOYSA-N 450.882 4.749 10 10 JJCE CCN(CC)c1ccc(CN=c2nc(-c3cccnc3)[nH]n2C(=O)C=Cc2ccc(OC)cc2)cc1 2294450695 WGXXSELPJKKXPU-UHFFFAOYSA-N 482.588 4.583 10 10 JJCE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 2294593242 MXFMLXCRBXAJEP-UHFFFAOYSA-N 494.598 4.654 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 2297313918 RTZTWSFTEXPWJS-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2313548584 ZADFYSKJSWTCIC-UHFFFAOYSA-N 470.525 4.550 10 10 JJCE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)cc2)o1 2314913643 KXOSAEWYNVBFRI-UHFFFAOYSA-N 499.017 4.852 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl 2369280 AUSRIVMYUWEDRQ-STZFKDTASA-N 475.907 4.708 10 10 JJCE CCc1ccccc1NC(=S)N(CCN1CCOCC1)Cc1ccc2c(c1)CCCN2CC 20729352 BVWUVQDUICWZDC-UHFFFAOYSA-N 466.695 4.553 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)ccc1OC1CCCCC1 39793749 FBNDNYPMROYWDU-PDGQHHTCSA-N 489.644 4.703 10 10 JJCE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 39885908 YIVTZGIIXQGVBE-KAMYIIQDSA-N 464.663 4.579 10 10 JJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990095 CBKCGJJBFADEBC-USBBIDJBSA-N 472.680 4.674 10 10 JJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39990360 UOFNLVPIRNIRPC-JCMHNJIXSA-N 492.670 4.830 10 10 JJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 83310442 KATZXUVMHFTSOJ-GVMLUORFSA-N 491.569 4.779 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 504208068 PYCQOOQIHFELCV-YDXRHMNESA-N 496.563 4.877 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526254986 JMJCAZXNPVRWGA-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)c1 1084116802 HNZNTCQVGVRSBP-BKUYFWCQSA-N 494.414 4.996 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 1084126915 HZIPXZFAVHGNGH-UNOMPAQXSA-N 495.304 4.834 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)CC1 1634074019 HSRTVQJBLKYYQP-AREMUKBSSA-N 459.615 4.505 10 10 JJCE C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347431 PCDXAQBSOULRJA-BUVJYCSZSA-N 470.617 4.873 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)C3CCN(Cc4ccccc4)CC3)cc2)c1 1860899281 JJWWQLUFEZTUHV-UHFFFAOYSA-N 470.617 4.533 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](C)C(=O)OCC)sc(C)c1-c1ccc(Br)cc1 1866267111 BPIYGPFPZHNKFH-LLVKDONJSA-N 468.369 4.800 10 10 JJCE Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1C 1866290690 KHPHJIZBYDLTJV-DEOSSOPVSA-N 461.606 4.741 10 10 JJCE CCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870481547 MFZSVDZFUCGAQR-UHFFFAOYSA-N 453.627 4.548 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cc(F)ccc4F)c4ccccc34)[C@H]21 1873885698 RHQGTYIDZBMZPD-SANMLTNESA-N 472.495 4.705 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079027676 XVFQMINEUXWGOZ-MRXNPFEDSA-N 468.335 4.585 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079998867 DMZSARJBJVCFRC-SFHVURJKSA-N 481.378 4.812 10 10 JJCE CCCCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313548149 NALYRQIUCNBXIC-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1ccc(Cl)cc1 2314717531 UWKWGNVGVPICMN-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2314929485 NFRXQDLSVZNVCB-NSHDSACASA-N 464.362 4.707 10 10 JJCE CCCCOC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945348 YKKKHNUOAZAPGR-HNNXBMFYSA-N 474.604 4.612 10 10 JJCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2406145 DLOGXJDCJPGJRR-CLJVFQDKSA-N 497.580 4.905 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCC[C@H](C)C3)nc3ccccn3c2=O)SC1=S 9373052 DBBZRSGMXKCRDJ-BYFYWULKSA-N 470.664 4.712 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 33417364 AACORDGRQCFNLJ-PSQPYKGGSA-N 492.601 4.889 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1 33927803 ZUBLSBWGELJMRJ-HMAPJEAMSA-N 475.476 4.917 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 210498067 VLABPVUCAUIGCF-SFQUDFHCSA-N 492.525 4.606 10 10 JJCE COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526415776 GHUVJPBOCCMDQH-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@H]1c1ccc(N(C)C)cc1 526527536 PDJNTICRJDMQIZ-RUZDIDTESA-N 472.541 4.995 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@H](C(C)(C)C)C2 1866040868 PIGGKLIHFMMTFF-HOTGVXAUSA-N 484.618 4.686 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Br)cc2)N2CCCCC2)cc1 1866125413 CZVCLBPWDPYCDH-XAYULXIRSA-N 456.428 4.872 10 10 JJCE CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1868027260 BMIFEQACPKTBDX-GTOQVXEWSA-N 451.611 4.517 10 10 JJCE CCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660248 PZVDILOBQZXIHN-UHFFFAOYSA-N 479.596 4.545 10 10 JJCE CCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871569097 YTZRZTYQEJQIMN-UHFFFAOYSA-N 482.032 4.546 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CC(C)C)C2=O)cc1 1873424986 XVRALXLMWCXVRI-UHFFFAOYSA-N 458.518 4.850 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 2053508987 KLESTBLDEYRJTJ-AWEZNQCLSA-N 478.573 4.571 10 10 JJCE CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079945877 NCAAUBPFXIQCBI-QGZVFWFLSA-N 456.324 4.541 10 10 JJCE CCN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2CC 2163145932 RZCPLPPKBWHZCS-VWLOTQADSA-N 466.670 4.747 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 2313558132 UDRACGHNRUMJMR-UHFFFAOYSA-N 490.230 4.967 10 10 JJCE CN[C@@H](C)c1cnc(Sc2cc(I)ccc2Br)s1 2316407061 PAQXGLGZNCVCGS-ZETCQYMHSA-N 455.184 4.942 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cccc(OC)c3)CC2)cc1 9228448 CVWGMYLFMRTUJA-UHFFFAOYSA-N 485.540 4.665 10 10 JJCE O=C1N=C(O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc2c(c1)OCO2 33316218 VKFBXIJQXUSZJF-ODLFYWEKSA-N 460.417 4.640 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1OC 33436491 ILEQSSBQLTWFJZ-CJLVFECKSA-N 482.627 4.665 10 10 JJCE CCOc1c(Br)cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1Br 59567637 QSKNEXNGCZYYTJ-UHFFFAOYSA-N 482.124 4.793 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(-c4noc(-c5ccc(C)cc5)n4)s3)CC2)cc1 65062947 YMBULPDYONSYDB-UHFFFAOYSA-N 460.559 4.745 10 10 JJCE Cc1ccc(-c2nc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1 103802776 AYSWWDMQSNLJSG-HZQOKBKYSA-N 462.600 4.623 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 228959480 BVXINOAOHQDTML-LNSJNNGNSA-N 484.691 4.877 10 10 JJCE O=C(OCc1nnc(-c2ccccc2Br)o1)c1cccc2c1C(=O)c1ccccc1C2=O 789006467 FWJSRBGMKNVIMQ-UHFFFAOYSA-N 489.281 4.632 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 1084436294 GGFKRDOCFVXXLS-UYRXBGFRSA-N 476.529 4.553 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)C[C@H]1C(F)(F)F 1168527726 JFGZDFYLEQFLPZ-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1294859057 HDOZZHIVNJZHBM-IBGZPJMESA-N 454.954 4.626 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccccc1 1860760225 WXSKGGXXCYFQBF-UHFFFAOYSA-N 466.603 4.924 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(C)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762408 FLTUEQSYXOPDIP-UHFFFAOYSA-N 480.586 4.862 10 10 JJCE Cc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860903840 DTORTUYHRZDMQF-DTQAZKPQSA-N 482.628 4.671 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864006979 BZFRAVZMEZSGMT-YADARESESA-N 490.604 4.762 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc3cc(Br)ccc3o2)c2nccn2C)cc1 1866083654 CYPWWGYDMDYCTC-HXUWFJFHSA-N 453.340 4.514 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4Cc4ccc(Cl)cc4)nc(C)n3)CC2)cc1 1869290324 QYKMVDDYBZGSPJ-DEOSSOPVSA-N 478.040 4.985 10 10 JJCE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)cc2F)cs1 1891651696 CWFSUWNZISCOAE-UHFFFAOYSA-N 460.531 4.751 10 10 JJCE CCN1CCc2cc([C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1952199905 RNVZVYYMXSUSFZ-NDEPHWFRSA-N 456.542 4.908 10 10 JJCE CCN1CCc2cc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C(=O)O)ccc21 1952921348 WOEOSEQUMUHQJC-IRPSRAIASA-N 468.553 4.908 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(CN)c2I)C(C)(C)C)c(O)c1 2079014322 ZXQARSFNIKNQMV-SFHVURJKSA-N 453.368 4.863 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)C)c(CN)c2I)C2(C)CC2)cc1C 2079959910 ZEDWWNFMZYESSF-SFHVURJKSA-N 453.368 4.782 10 10 JJCE N=C1C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(c3ccco3)=NN12 2297346894 WVOUKVUPJDFSFH-UHFFFAOYSA-N 466.320 4.500 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc(OC)c1O 2314926476 KCYJMSVYVCWNFI-UHFFFAOYSA-N 467.609 4.816 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 15044788 AJCWSBAYAAXEMF-SDXDJHTJSA-N 483.055 4.863 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)ccc1OCC(=O)Nc1ccccc1 33456282 KHGDSSGDJTYLHZ-QNGOZBTKSA-N 485.496 4.610 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39770813 SLPURZHSHOGDPE-UHFFFAOYSA-N 481.599 4.571 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc4ccc(Cl)cc4s3)C2=O)cc1 39874992 RSLBFIZZXUPHLE-PXNMLYILSA-N 476.004 4.798 10 10 JJCE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)o1 101350016 DOOWRNVPEIRISE-YBEGLDIGSA-N 457.269 4.721 10 10 JJCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cc2)C1 730481654 KMCHQQCXHDJTSO-NLFFAJNJSA-N 495.982 4.617 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)NC1CCCCC1 1860555362 VJUUOSWUHNANFA-UHFFFAOYSA-N 468.513 4.564 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864021261 OEZZUBKUSAFFGJ-GYCJOSAFSA-N 498.583 4.608 10 10 JJCE CCCCOc1ccc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1OCC 1866003164 MOZCEIQEVOXIGY-DEOSSOPVSA-N 450.583 4.583 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873165110 CDOYTOIVRBVHMB-UHFFFAOYSA-N 492.019 4.696 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCCC2)C1=O 1873165911 WGSUFHWRYVJCHS-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE Cc1cccc(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1873875197 XZLLCGRPPSJSGE-GDLZYMKVSA-N 478.596 4.803 10 10 JJCE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C 1874191452 PMALUZIORFYIFQ-UHFFFAOYSA-N 494.573 4.761 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(CN)c2I)cc1C 2079980742 IVALFFNDLMWRKW-IBGZPJMESA-N 451.352 4.536 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCc1cc(Cl)cc(Br)c1O)C2 2182493136 LLEPKFWYXMXSAO-AHIWAGSCSA-N 459.812 4.933 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc(OC)c1OC 2296881396 FKIZIUIUXDVBAZ-UHFFFAOYSA-N 486.615 4.559 10 10 JJCE CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 2297347689 TZLVWXMBIDRIAW-UHFFFAOYSA-N 461.518 4.556 10 10 JJCE COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 2297350105 WAJLUHMPCBTCNS-UHFFFAOYSA-N 499.342 4.868 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)c1 2313562334 OCFFHPVPWQYYCL-UHFFFAOYSA-N 464.319 4.523 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2314414502 BAJWFLUPWCUOJC-UHFFFAOYSA-N 478.643 4.741 10 10 JJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCC)nc3ccccn3c2=O)SC1=S 2314414931 RGRSLFYIYQVWIW-INIZCTEOSA-N 458.653 4.934 10 10 JJCE CCSc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)s1 2314578434 PCOJSZBUYHHZRU-UHFFFAOYSA-N 471.054 4.534 10 10 JJCE CCCCc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650365 CFIHSDIFJAPFJH-KRWDZBQOSA-N 473.572 4.808 10 10 JJCE CC[C@H](C)OC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945431 RHYYKQRHKSGEGW-LSDHHAIUSA-N 474.604 4.610 10 10 JJCE COCCNc1cc(N2CCN(C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 8603426 KGFHSCPYHABWRU-UHFFFAOYSA-N 460.578 4.552 10 10 JJCE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20287096 NBJZNGCIPXLYJA-JJIBRWJFSA-N 493.564 4.910 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1C 40867741 RHHYHPSPCNVTDT-MOSHPQCFSA-N 457.573 4.649 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54311060 YUGMKYXOLPOVEE-SQJMNOBHSA-N 486.678 4.639 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)COc2ccccc2C=O)cc1 72413162 INFCRBYUBIOWLV-XMMPIXPASA-N 461.949 4.975 10 10 JJCE COCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 100375764 DBCGDULFCPOEDG-LGMDPLHJSA-N 473.023 4.955 10 10 JJCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 105052632 KCNMFQIFMLOVDK-LSYYVWMOSA-N 493.692 4.642 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccc(O)c(O)c1 526408984 UUZKIRPNVWNBMD-HSZRJFAPSA-N 463.486 4.571 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1O 1170794318 KYLKDYXILXSTFR-GOSISDBHSA-N 450.284 4.870 10 10 JJCE C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1650872956 XUQHBZSDFFWGKH-OTRAAIJSSA-N 454.571 4.920 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(c2ccc(I)cc2)C1=O 1860074758 KKRVWRDPKBOMNF-XNTDXEJSSA-N 453.326 4.706 10 10 JJCE CCCOC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871233196 IPNJPRHXLRGVBM-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)[C@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1952347685 VMJNHSKBLPICNP-OZXSUGGESA-N 495.478 4.658 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079999665 YMUYXXIYSQGVLN-MRXNPFEDSA-N 472.323 4.659 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)c1 2124514210 WASNJXLZLOQHDN-CYBMUJFWSA-N 471.299 4.553 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314414565 CWZYAGSNLYVTAW-UHFFFAOYSA-N 470.664 4.995 10 10 JJCE CNc1cc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c(Nc2ccccc2)c(F)c1N 2325648517 UDYOJGIPOYJHMT-UHFFFAOYSA-N 459.569 4.664 10 10 JJCE O=C1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 2494276 RICSLIHWUGBYMD-UHFFFAOYSA-N 453.454 4.681 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 15046424 CTXSQRKKRMBYTF-ZSAINHDTSA-N 466.506 4.942 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 33417695 VJXQJGYRIRMUIQ-XMHGGMMESA-N 455.561 4.777 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)c1C 39835784 YOVUZYKZCCKJND-XDHOZWIPSA-N 465.600 4.961 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 40324264 CIJFKVQRTWTVRF-UYRXBGFRSA-N 469.613 4.701 10 10 JJCE COc1c(Br)cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc1Br 59644031 YXFMHWBVINFMBZ-UHFFFAOYSA-N 482.124 4.577 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccccc2C=O)cc1 72413196 GOVNWZANEHFZCP-XMMPIXPASA-N 461.949 4.975 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)cc(Br)c1OCc1ccccc1F 96477256 CYBKLMMDRSSTKE-ZSOIEALJSA-N 493.354 4.663 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1 96515475 YJLQNQTYEGADPJ-QOAJVQELSA-N 499.936 4.865 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12 101445993 ZWBMYQHRHYJZFG-JOWQQVNMSA-N 476.580 4.871 10 10 JJCE CCN1C(=O)/C(=C\c2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)SC1=S 102445504 YKGDTYSVHAUTQS-LFIBNONCSA-N 478.389 4.898 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526417503 UUCYLJMVYPCJFU-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1 1084547602 GWVFLIRYUWNMDM-MOSHPQCFSA-N 483.436 4.683 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1265565838 CCKRWIXEUHAKFT-FZDNWWAKSA-N 455.299 4.832 10 10 JJCE O=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)s1 1858055391 JQHNONUWRRSMJW-UHFFFAOYSA-N 457.758 4.591 10 10 JJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 1858590133 YFOZEQAEPUEVLM-CJLVFECKSA-N 456.633 4.994 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccc(Cl)cc1 1860759500 UHRLSVGAKDXIMU-UHFFFAOYSA-N 486.977 4.817 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867343261 USDNTZNLGROYIN-IZZNHLLZSA-N 482.644 4.524 10 10 JJCE CCCC[C@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846405 SOKNLCPXXXZFOD-SVBPBHIXSA-N 479.665 4.767 10 10 JJCE COCCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420163 HUPJFQQRUBTULF-UHFFFAOYSA-N 499.489 4.831 10 10 JJCE Nc1ccc(Nc2cc(Br)c(I)c(Br)c2)nc1 1946432833 OYRSCCZUCJXUPU-UHFFFAOYSA-N 468.918 4.537 10 10 JJCE Cc1ccc(C)c(-n2nc(C)c(C=C3CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2Cl)c1 2042436842 FFIKJCSPBSXSQO-UHFFFAOYSA-N 460.921 4.803 10 10 JJCE O=C(N[C@H]1CC12CC(NCc1cc(Cl)cc(Br)c1O)C2)OCc1ccccc1 2086046150 CHGPZOMJYOXSHS-JGCRXCKMSA-N 465.775 4.745 10 10 JJCE CCN[C@@H](c1ccc(N2CCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163159695 CXTDHOAPIWFCAH-FTJBHMTQSA-N 466.670 4.963 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NCc1cc(Cl)cc(Br)c1O 2169565988 ZQIIRIPRXGIKPI-NUKKGAITSA-N 457.796 4.542 10 10 JJCE O=C1C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296706676 HXCAWKCTXGALOJ-UHFFFAOYSA-N 477.592 4.840 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2297341052 KWUYNDJJTUIJRW-UHFFFAOYSA-N 496.614 4.710 10 10 JJCE COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 6581389 XJUYLIXWPAQLRU-XDHOZWIPSA-N 494.432 4.884 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15037324 QNQVAXUJKJOKHW-ATVHPVEESA-N 461.406 4.988 10 10 JJCE COCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)SC1=S 95927360 YXFLHHGKZOYERT-ISLYRVAYSA-N 479.410 4.758 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1 102880054 YMQGLZFAIZHYFF-MDWZMJQESA-N 494.747 4.744 10 10 JJCE COc1cccc(/C=C2\C(=N)N3C=CSC3=NC2=O)c1OCCCOc1ccc(C)c(C)c1 103704056 NPHYMKSGZTWDPZ-SUYASHRRSA-N 463.559 4.937 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526552756 QZJHWUVSGBFBFH-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE Cc1cccc(CN2C(=O)N/C(=C/c3c(Cc4cccs4)nn(-c4ccccc4)c3O)C2=O)c1 1082758655 XMCHFLYLZBSQIP-HZHRSRAPSA-N 470.554 4.632 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)N(C)C)cc1 1858593923 DUBNNXODCHBRFJ-HRYJJRBTSA-N 472.661 4.525 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(F)cc1 1860655378 OKRHTIWPYZAVTF-CQSZACIVSA-N 486.487 4.779 10 10 JJCE COC(=O)c1cc(C)sc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860767561 XPXUUIOBAOPUSQ-UHFFFAOYSA-N 486.571 4.552 10 10 JJCE Cc1ccc(CCn2cc(OCC(N)=O)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1871116565 RUKHBCJZOBIYAL-UHFFFAOYSA-N 482.584 4.619 10 10 JJCE COc1ccc(CCN2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164239 RWJDEYMROUDDIH-UHFFFAOYSA-N 495.579 4.808 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420793 WLRFVZZNYNWCCJ-UHFFFAOYSA-N 493.991 4.985 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421151 JEFIFAUGQHUYDT-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CC(C)C)C2=O)cc1 1873424747 VBLAXKZLGQYHQY-UHFFFAOYSA-N 453.546 4.818 10 10 JJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(I)cc1)c1ccccn21 1874017591 SIMRFJWPQUMGDP-UHFFFAOYSA-N 492.272 4.572 10 10 JJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079013744 PUDPZNQGRZZANA-MRXNPFEDSA-N 468.335 4.887 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C1CCCC1 2136261557 MHZAUOUSMZYCFN-NRFANRHFSA-N 454.567 4.505 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@@H](O)CNCc2ccccc2)c2ccccc12 2296203756 HFIKYBCDMVMSNC-VWLOTQADSA-N 464.569 4.598 10 10 JJCE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296713708 SSEOCFIYIBGCBI-ZDUSSCGKSA-N 486.018 4.695 10 10 JJCE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCC4)C3=O)c3ccccc32)c1 2296714250 NWOLFPCHAMJWJG-UHFFFAOYSA-N 491.638 4.803 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1c(Cl)cccc1Cl 2297299538 IWZUBFRPMAWLJZ-UHFFFAOYSA-N 481.382 4.952 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 2297448109 UDYWTUSKMCDULA-INIZCTEOSA-N 454.617 4.930 10 10 JJCE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 2313682493 DJYPZWTWOVLHPX-UHFFFAOYSA-N 471.557 4.570 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)C1=O 2332113688 XQRZVJHPBUBKSV-UHFFFAOYSA-N 456.542 4.975 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](c4cc(OC)ccc4OC)Oc4c(OC)cccc4[C@H]3C2)c1 20071373 LOHKUOAOLOHYEE-RLWLMLJZSA-N 462.502 4.669 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20709196 QSJSIWHPUYZPDT-KHCICDEESA-N 469.563 4.692 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33438284 UEWQZQDACCPRBP-MNDPQUGUSA-N 470.664 4.712 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 33676697 VCCIYXYOGDTBGO-FCDQGJHFSA-N 479.671 4.579 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OCC)c2)SC1=S 40938088 LJRYWRSECHEMQK-XLNRJJMWSA-N 485.627 4.861 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1 208280609 KCZHBYFJJHKHJK-HYARGMPZSA-N 479.602 4.920 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(O)cc2O)N3)cc1 226794212 BCLDXINCVCUALZ-RNHFSVANSA-N 464.543 4.734 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526364724 IPSNDAPLDQCDND-RUZDIDTESA-N 476.529 4.628 10 10 JJCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4sccc4Br)cs3)ccc21 727248168 HEUWKBLBVCOXBB-UHFFFAOYSA-N 498.449 4.734 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCN(c2nc3ccccc3s2)CC1 727383483 UMYSASBEYXQEHF-UHFFFAOYSA-N 486.588 4.899 10 10 JJCE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@@H]34)cc12 1565539132 KCPUSSFLKJQTQY-RDGATRHJSA-N 470.654 4.863 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CCN(C)C)C1=O 1858596384 SHZKPMDPSQFPNK-RIYZIHGNSA-N 476.977 4.893 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C(C)(C)C)ccc3[nH]2)N2CCCCC2)cc1 1866518090 WKNYKCVZJQNUEQ-AREMUKBSSA-N 474.649 4.849 10 10 JJCE CC[C@](C)(NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370487 ISEKDTLSZOKAQV-SQHAQQRYSA-N 485.072 4.648 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427046 AFGANSZUNAGSNN-UHFFFAOYSA-N 468.601 4.689 10 10 JJCE COc1ccc([C@@H](C)NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873938014 SYNLULRAMVHSDH-LJQANCHMSA-N 492.579 4.850 10 10 JJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 2313683043 QHFZXEGSRZWJRP-UHFFFAOYSA-N 471.513 4.627 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2314831563 NNPZKTIXWYSBGH-UHFFFAOYSA-N 456.589 4.714 10 10 JJCE CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C\c3ccccc3)SC2=S)s1 6574333 OGSUUHLUVFWUSG-NLFRITJFSA-N 458.634 4.667 10 10 JJCE COc1cc(/C=C2/SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)ccc1OCC(=O)O 16915543 YIMPSYBSAWXQSI-FRKPEAEDSA-N 486.855 4.913 10 10 JJCE COc1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 33417764 UNHFIRKALPGYMU-LDADJPATSA-N 465.980 4.646 10 10 JJCE CN(C)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1 34847812 JPLQVZWJRAZXID-RGEXLXHISA-N 491.585 4.974 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 59862749 ODLRPHVUYQEOGH-XSFVSMFZSA-N 495.329 4.737 10 10 JJCE CCOC(=O)c1sc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)nc1C 105570820 AMFKXKIZXSALIW-KGHZBTQCSA-N 454.537 4.627 10 10 JJCE CC/C(NC1Cc2ccccc2C1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 206229641 HHTJCTZCYXEDDA-KNTRCKAVSA-N 456.493 4.982 10 10 JJCE C[C@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(N2CCOCC2)cc1 210876928 YXXMFULXUUQEIU-FAXUNHAKSA-N 479.584 4.662 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OCC(C)C)c2)[C@H]1c1ccc(O)c(O)c1 526479000 JWNBSYZMHKQJOE-RUZDIDTESA-N 489.524 4.976 10 10 JJCE CC(C)OCCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858589859 NCYWWCPVQYWYTO-NTUHNPAUSA-N 450.807 4.824 10 10 JJCE O=C(/C=C/c1ccccc1OCCN1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1871279312 PRCGWZHEXBCGQV-CCEZHUSRSA-N 466.537 4.589 10 10 JJCE COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)nn1 1891151740 XODOFUMKRYNZER-ARNLJNQMSA-N 497.643 4.674 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1Cl 2296812850 LKEPKGFZPGGCKX-UHFFFAOYSA-N 463.964 4.604 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc2oc(=O)ccc2c1 2296885166 GUXNMHYNBALXFA-UHFFFAOYSA-N 470.959 4.676 10 10 JJCE CC(C)[C@H](C(=O)NC1CCCC1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580133 RPKGFDGTLLXTEC-QGZVFWFLSA-N 467.454 4.734 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccccc1Cl 2332141236 MDWNNKFRNYHAAK-UHFFFAOYSA-N 461.861 4.854 10 10 JJCE COc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(Br)c3)C2=O)c(OC)cc1Cl 33414474 CDBGPNRNYUJOIY-WDZFZDKYSA-N 495.713 4.635 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)ccc3OC(C)C)C2=O)cc1 59860497 AZJJHJVPMNSONN-BOPFTXTBSA-N 459.296 4.752 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C(F)(F)F)CC2)cc1 105687849 BXHPXBTXOWGPIO-UHFFFAOYSA-N 498.427 4.881 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3cccc(OCc4csc(C)n4)c3)CC2)cc1 108429943 VHYBJKDJXAKKAI-KPKJPENVSA-N 463.603 4.791 10 10 JJCE Cc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526389403 QWVBTHZXBWSZFZ-MUUNZHRXSA-N 482.628 4.870 10 10 JJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)SC1=S 915838313 HWBBRBFGMQFHBI-NDENLUEZSA-N 451.573 4.778 10 10 JJCE CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 1298416255 LQFOEVQTCVDADF-UHFFFAOYSA-N 450.608 4.512 10 10 JJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1858682659 DGBQTRXCBMGVCG-UHFFFAOYSA-N 480.830 4.964 10 10 JJCE CC(C)CCOC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826185 CFHUCFOYUGZAJJ-UOEVCUDDSA-N 488.631 4.858 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CC(C)C)CC2)cc1 1870341062 IIQSVNFGRMBWMB-UHFFFAOYSA-N 479.596 4.553 10 10 JJCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729504 GNIZRNSRDJQRNN-UHFFFAOYSA-N 497.647 4.550 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873162329 PZDNBBXMLUYMJE-UHFFFAOYSA-N 489.591 4.570 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169935 IOOZMTGTOLUROP-CPJSRVTESA-N 476.665 4.684 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425892 PDICQRNBSGXKMC-UHFFFAOYSA-N 498.627 4.831 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[C@H]21 1873895686 GWOSFPFQJPEISW-NDEPHWFRSA-N 494.551 4.546 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CCc4ccccc4)c3)CC2)cc1 1874726536 FRRSHWGNZOQWMP-UHFFFAOYSA-N 471.601 4.662 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053508624 CIJZWPZWCUZQDM-AWEZNQCLSA-N 498.991 4.916 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(CN)c2I)C2(C)CC2)cc1C 2079959909 ZEDWWNFMZYESSF-GOSISDBHSA-N 453.368 4.782 10 10 JJCE CCN(CC)c1ccc(CN=c2nc(-c3cccnc3)[nH]n2C(=O)C=Cc2ccccc2)cc1 2294450672 AJYXMSYQSGNDCT-UHFFFAOYSA-N 452.562 4.574 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccc(-c2ccccc2)o1 2296759991 HYBCHEUJDAIENQ-UHFFFAOYSA-N 460.515 4.647 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1 2297334353 LFYNTYLVBVXWHD-UHFFFAOYSA-N 476.916 4.902 10 10 JJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(Cc3ccccc3)C(=O)CO4)cs2)cc1 19946979 FXWRIGPHWBQBBV-UHFFFAOYSA-N 491.594 4.845 10 10 JJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 35520739 QGUJMPIHKBEHIO-IXGURIBZSA-N 496.658 4.669 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1 40888491 FSKMQCPBWCWDIJ-MTJSOVHGSA-N 471.600 4.675 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413684 RBLKBAPGBAVEHE-PKTZIBPZSA-N 472.570 4.530 10 10 JJCE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210750530 LZTBXSFTWKODTC-PXLXIMEGSA-N 492.622 4.955 10 10 JJCE CCS(=O)(=O)Nc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917632308 ADKUCXHGXLCLGE-JOCHJYFZSA-N 477.546 4.608 10 10 JJCE CCOC(=O)c1c[nH]c(-c2ccc(Cl)cc2)nc1=Nc1cccc2c1C(=O)c1ccccc1C2=O 1859832693 HKPODNHAZNMPTE-UHFFFAOYSA-N 483.911 4.915 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860344969 KZVOYXPKSJWOGS-MUUNZHRXSA-N 480.568 4.831 10 10 JJCE Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2ccc(Cl)cc12 1866292729 AXFSRLWQDYVVDD-QFIPXVFZSA-N 467.997 4.778 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Cc2ccc(O)c(O)c2)C1 1952466073 UPXWQZVKHAMTBF-RTBURBONSA-N 473.525 4.755 10 10 JJCE CCN(CC)c1ccc([C@@H](NC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2106866602 WFFCSVWUSYACOI-LOSJGSFVSA-N 454.659 4.819 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3cccc(C(F)(F)F)c3)C2=O)cc1 2296103026 LMPNKRIJHHBZDS-UHFFFAOYSA-N 497.473 4.815 10 10 JJCE COc1ccc(NC[C@@H](O)Cn2cc(C=C3C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 2296303797 GTDZTLWJHAUDHU-XMMPIXPASA-N 480.568 4.929 10 10 JJCE Cc1cc(C)c2c(c1)S[C@H](NC(=O)CN1C(=O)C(=Cc3ccccc3Cl)SC1=S)N2 2296885547 ZJNVFRKISTXNJI-HXUWFJFHSA-N 476.048 4.776 10 10 JJCE COc1ccc(OCCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)cc1 2297347258 JFASZUGEABMNLY-UHFFFAOYSA-N 465.980 4.694 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 2297347616 NVMCXDCISIXQND-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1Oc1cc([N+](=O)[O-])ccc1C(F)(F)F 2297459137 GTFPBCFVROAHBZ-UHFFFAOYSA-N 481.408 4.521 10 10 JJCE O=C(CN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccccc1C(F)(F)F 2314829186 ZHKIUUVLOPZHEK-UHFFFAOYSA-N 472.897 4.904 10 10 JJCE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812209 IOBJGTYJKNSRMI-YAFZODKBSA-N 484.691 4.582 10 10 JJCE CN(C)c1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 34683702 BZIUEEZUQIVAIV-UHFFFAOYSA-N 485.600 4.891 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc(Cl)c1O 59861334 ZCZPVFCYTRKADJ-SDQBBNPISA-N 479.714 4.940 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)c1 89269834 SMEKUMGKFFWMBD-ZKZDLDBDSA-N 486.509 4.651 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 100148914 IECNLXRLFZOUJH-PXLXIMEGSA-N 466.950 4.859 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2Cl)N3)CC1 226844544 JOPBITQMUYGSLO-QZMQVMSPSA-N 478.445 4.756 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 526179501 VVEALJSXVHXKJU-JOCHJYFZSA-N 451.450 4.701 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccc(F)cc1 1860652576 OGPQWEVWWQLECZ-LJQANCHMSA-N 495.576 4.925 10 10 JJCE CCCCCCOc1cn(CCCOC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673566 QJFZKUOMVJEGCP-UHFFFAOYSA-N 499.696 4.953 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CCCOc5ccc(C)cc5)[nH]c4c3)CC2)cc1 1872797996 CYTYGTTUPCHKTR-UHFFFAOYSA-N 484.600 4.854 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(Cl)ccc3C)cc1C2=O 1873903040 GWZGIROIASRAAI-UHFFFAOYSA-N 491.883 4.527 10 10 JJCE CC1(c2nn(Cc3cccc(Br)c3O)c(I)c2C2CC2)CC1 2079799203 UWXGCDRVCQQZOS-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE CCN1C(=O)C(=Cc2ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 2296727464 DHUGPPDGACOIJP-MRXNPFEDSA-N 481.854 4.755 10 10 JJCE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330465154 GYMVBMWUVGCGGM-INIZCTEOSA-N 472.928 4.662 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(F)cc3)CC2)cc1 20289475 BZGRHFXSOQDNBA-KOSHJBKYSA-N 453.583 4.578 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OCC 206934424 WSRBXOLUIVWKBJ-XSFVSMFZSA-N 456.589 4.729 10 10 JJCE O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 1858588982 KHRNBRDCYUHODS-FRKPEAEDSA-N 452.326 4.718 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)N(C)C)cc1 1858593924 DUBNNXODCHBRFJ-JHBOHYQCSA-N 472.661 4.525 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2OCC)sc(C)c1-c1ccc(Cl)cc1 1860767991 QLYSNJGGUIPODW-UHFFFAOYSA-N 487.965 4.925 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)N2CCCCC2)cc1 1865918651 DAWGQFXXLGBYAV-HHHXNRCGSA-N 499.611 4.734 10 10 JJCE CCOCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870481744 WXBJBKNLXVYVGG-UHFFFAOYSA-N 497.680 4.565 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873165117 CQQZFGXUOAHNFB-UHFFFAOYSA-N 488.676 4.972 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(C)cc4)cc3)CC2)cc1 1874748343 ZJSVJCPVKBTVOW-UHFFFAOYSA-N 471.601 4.580 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Cc2ccc(O)c(O)c2)C1 1952466072 UPXWQZVKHAMTBF-RBUKOAKNSA-N 473.525 4.755 10 10 JJCE CC[C@@H](N=c1[nH]c2c(s1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2198511462 UYTKOPXFZDWKAI-CYBMUJFWSA-N 454.390 4.847 10 10 JJCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)c1 2297314564 KVVZUEZBZJDZNY-UHFFFAOYSA-N 469.950 4.973 10 10 JJCE CCOC(=O)c1sc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c(C(=O)OCC)c1C 2297453019 HJTKXHLTOUCHRZ-UHFFFAOYSA-N 475.954 4.782 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)o1 2313549088 MVNXTUUXPRQJBF-UHFFFAOYSA-N 483.436 4.683 10 10 JJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313682124 VRBSVNGIXWLFBT-UHFFFAOYSA-N 455.486 4.518 10 10 JJCE O=C(COc1ccccc1C=C1SC(=S)N(C2CCCCC2)C1=O)Nc1nccs1 2314488169 JOFYLVRIIOGFAG-UHFFFAOYSA-N 459.618 4.695 10 10 JJCE Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2384176 MRHINUNVSZCVMM-ZPFBFIQOSA-N 497.580 4.905 10 10 JJCE Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccccc5[N+](=O)[O-])CC4)=NC3=O)o2)cc1 27515458 PMIHJZMXUYPGAH-XQNSMLJCSA-N 474.542 4.956 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 33470109 VUKBKCKBMCIYSW-HUCUOGIVSA-N 464.616 4.615 10 10 JJCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c1C 33653093 YVTLOTWWQXBKOS-NDENLUEZSA-N 474.473 4.826 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)sc2c1 39875064 GKMVTUAJSUBKJG-MFOYZWKCSA-N 473.576 4.674 10 10 JJCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(OC)cc1OC)c1ccccc1 65080350 GXNHWHYRSHOPNH-UHFFFAOYSA-N 485.540 4.956 10 10 JJCE CCCC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 102855976 LXZZSANKBLZNSX-RZXPCSSPSA-N 467.827 4.509 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)CC1 226831643 XQGJUWNQPIJFCY-STSQHVNTSA-N 478.445 4.756 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)c(O)c1 526559948 AQJBZDSRVKEOQZ-JOCHJYFZSA-N 469.440 4.841 10 10 JJCE CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S 1083986815 RHIZDSRUSXCBSC-MFOYZWKCSA-N 458.370 4.643 10 10 JJCE CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1640687650 YZDQTUVFBUXXIV-UHFFFAOYSA-N 454.368 4.769 10 10 JJCE CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 1653350100 ZGGHGLLVTSMHJS-QGZVFWFLSA-N 451.567 4.694 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1705730916 QFMNZSGNUYCXID-NBGIEHNGSA-N 463.626 4.807 10 10 JJCE COc1ccc(N2CCN(C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)CC2)cc1 1866302344 OPZRVBUMJPDGCC-UHFFFAOYSA-N 478.159 4.969 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(OC(C)C)cc5)nc4c3)CC2)cc1 1873506652 NVAMFSAQNAMKCE-UHFFFAOYSA-N 470.573 4.988 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079027566 WEXWOEKZVUZHTI-KRWDZBQOSA-N 480.346 4.729 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2079988058 ZHAMMZZMBUBKSX-OAHLLOKOSA-N 468.335 4.864 10 10 JJCE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCCC2)cc1 2106826268 ROKMOODUGDJTSU-RPBOFIJWSA-N 453.627 4.736 10 10 JJCE CN[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 2163139109 VEVGLLXDRJQMLU-VWLOTQADSA-N 466.670 4.963 10 10 JJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 2293829951 LAVMDAUJILLFCX-UHFFFAOYSA-N 483.499 4.521 10 10 JJCE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 2294199186 ANBFFJZVFMKHAJ-UHFFFAOYSA-N 497.916 4.657 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1OC 2296661308 HWZZBCVPXYUZPL-UHFFFAOYSA-N 466.378 4.881 10 10 JJCE COc1cc(OC)cc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1 2321740061 HNFZZYAFNIMQHL-UHFFFAOYSA-N 451.982 4.781 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323865482 HUDUSHWOPWVFPT-HNNXBMFYSA-N 452.326 4.615 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1O 14459502 GAXQHAXTKGFLAM-XLNZFTOWSA-N 454.592 4.838 10 10 JJCE CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1Br 27548747 WHYZCDHDQYFVAO-UHFFFAOYSA-N 450.288 4.876 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 32955248 SBPJGIAWFUOCJH-NRFANRHFSA-N 457.958 4.527 10 10 JJCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 33448044 KQZMWWCEWBXGME-ONNBZHDSSA-N 470.348 4.684 10 10 JJCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 40066448 BBIGOJKEDBLYCQ-BKUYFWCQSA-N 478.643 4.804 10 10 JJCE CC(C)(C)c1ccc(-c2nnc3n2N[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)S3)cc1 59168485 JWXFZPJZYOKYER-QGZVFWFLSA-N 476.356 4.967 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(OC)c2)[C@H]1c1ccc(O)c(O)c1 526147170 KDNLNOOQVWIZNV-QHCPKHFHSA-N 463.486 4.571 10 10 JJCE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(F)(F)F)C1 1749817936 MOARUPSBFIUOSS-HXUWFJFHSA-N 488.558 4.610 10 10 JJCE COc1ccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCOCC3)n2)cc1 1859832572 BSZZGMBCECFUPZ-UHFFFAOYSA-N 492.535 4.508 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3C)CC2)cc1 1860270070 LOPJHVYKBREMDH-NRFANRHFSA-N 498.579 4.893 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O 1865667072 CPIJZXAYMPWWQX-GZTJUZNOSA-N 459.340 4.602 10 10 JJCE O=C1/C(=C\c2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1c1ccc(Br)cc1 1865671888 SYQNZOASWKAEAZ-ZROIWOOFSA-N 453.214 4.569 10 10 JJCE CC(C)C[C@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868153502 MWWATRIBCDZQFG-LJQANCHMSA-N 486.543 4.876 10 10 JJCE CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870935267 VXLYWLYNZDUECG-UHFFFAOYSA-N 469.545 4.636 10 10 JJCE COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1cccc(Cl)c1 1871333290 NVIMKFKEGPRYAD-UHFFFAOYSA-N 457.873 4.562 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419551 KFVPOONDRCMUGH-XMMPIXPASA-N 455.558 4.774 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427754 ZFHBXWDLGNBCJX-UHFFFAOYSA-N 498.627 4.779 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)cc1C 2080012618 RIAMFSPCIRENQC-KRWDZBQOSA-N 451.352 4.833 10 10 JJCE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080025572 QHMGVFHHZGQBNC-IBGZPJMESA-N 466.319 4.671 10 10 JJCE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCCOc2cccc(C)c2)SC1=S 2297500260 VUMHCYIEPQYFIN-UHFFFAOYSA-N 458.561 4.972 10 10 JJCE COC(=O)c1c(NC(=O)C=CC(=O)NCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 2321560536 WHORIYOFYXVHEF-UHFFFAOYSA-N 462.571 4.938 10 10 JJCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1 16908144 FWDQBTKVDZLQMU-LFIBNONCSA-N 464.362 4.708 10 10 JJCE CCn1c(CCc2cccc(NS(=O)(=O)c3cccc4nsnc34)c2)nc2ccccc21 33275374 PWNNSXGUCSOJNT-UHFFFAOYSA-N 463.588 4.647 10 10 JJCE C=CCN(CC=C)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 33573800 IICYJZZEJPHBID-QZQOTICOSA-N 465.575 4.580 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 33792927 MFJYFOBFYFWYDI-LTGZKZEYSA-N 490.654 4.649 10 10 JJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 39835631 WZAGRRJYKULZPH-CPNJWEJPSA-N 465.600 4.906 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152324 QQRCCSXBAKLTIM-RCEBRVLHSA-N 481.477 4.842 10 10 JJCE Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)c(Cl)c5)c4C)c(=O)n3c2cc1C 59248560 MUMCDYBOQKHCIL-LSHDLFTRSA-N 477.973 4.833 10 10 JJCE Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C 83310439 HYKFOFWCPWIGEQ-LMSRTUJASA-N 491.569 4.779 10 10 JJCE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)OCC)CC1 1705940328 BUNQRAYRTOSSFG-UHFFFAOYSA-N 494.665 4.550 10 10 JJCE O=C(/C=C/c1ccco1)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858908910 JORMQSSJOOQZPN-CCEZHUSRSA-N 492.487 4.996 10 10 JJCE CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860270919 GZDXZUFXLAOUGA-GOSISDBHSA-N 499.007 4.914 10 10 JJCE CNC(=O)COc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016771 VWMNOCIPIZYAPD-UHFFFAOYSA-N 486.547 4.516 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873170268 SVCHWRDOXWEBPX-UHFFFAOYSA-N 475.564 4.530 10 10 JJCE COCCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420885 YCIKVSLRYBKCOK-UHFFFAOYSA-N 461.587 4.654 10 10 JJCE CN(C)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873896078 XURFWLSSVJGIOH-UHFFFAOYSA-N 477.568 4.669 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2080047568 GSVFPKFPRJGJTN-OAHLLOKOSA-N 490.288 4.924 10 10 JJCE CN(C(=O)OCc1ccccc1)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O 2081067914 PEFKAZRNBFZRST-UHFFFAOYSA-N 450.288 4.998 10 10 JJCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccccc1 2294094894 CIRPEJGBTBTGHX-UHFFFAOYSA-N 498.926 4.600 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C1=O 2294199213 FQBWZPUZWRFWLW-UHFFFAOYSA-N 491.931 4.729 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2296709413 HKVSWGORHPHEIW-INIZCTEOSA-N 488.594 4.862 10 10 JJCE COc1cc([N+](=O)[O-])c(Cl)cc1NC=C1C(=O)N(c2ccc(Br)cc2)N=C1C 2296740267 QDBKYAPRZKTIRY-UHFFFAOYSA-N 465.691 4.738 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 2297306660 VYXLSGMZRBDOAK-UHFFFAOYSA-N 494.034 4.929 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1 2297470016 BNUCCRZGYFWWCI-UHFFFAOYSA-N 455.543 4.770 10 10 JJCE COc1cc(Br)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1OC 2297559697 AGQOJAVANOGJNV-UHFFFAOYSA-N 464.406 4.910 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1 2313553077 DCXXTWQNLLJYJO-UHFFFAOYSA-N 495.329 4.947 10 10 JJCE COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 2313557130 UYKOYJVWMHFLIR-UHFFFAOYSA-N 472.353 4.624 10 10 JJCE COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N(Cc3ccc4c(c3)OCO4)C1=O)=C2 2314450728 NYNCGRQWSUJBBJ-CYBMUJFWSA-N 453.541 4.533 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323865483 HUDUSHWOPWVFPT-OAHLLOKOSA-N 452.326 4.615 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 34688456 LHWFUVWWQJWDAT-GNASCUAASA-N 474.586 4.627 10 10 JJCE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc(C(C)(C)C)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 39883603 SGVRKKMGBFVORJ-HSZRJFAPSA-N 482.646 4.555 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OCC 40940562 YYUTULOBPZPIBJ-ZHZULCJRSA-N 456.589 4.729 10 10 JJCE COc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC(C)C 71933433 QYQLKKRAINQMET-WEVVVXLNSA-N 478.511 4.667 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526573068 USCPRTZDUFBRPE-VWLOTQADSA-N 490.512 4.521 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1O 1559616693 LKUIDXXRIFRTII-UHFFFAOYSA-N 459.974 4.829 10 10 JJCE CC(=O)N(c1ccc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1)C1CC1 1662329190 QCVZVJVWRZRFJM-UHFFFAOYSA-N 458.509 4.594 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc(OC)c1OC 1858593958 FUBLLXLYIIJVOS-QTCOBDOFSA-N 484.643 4.751 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(C)cc3)C(C)C)c3ccccc3)CC2)cc1 1868843647 DQATVOZJGAAXLC-VMPREFPWSA-N 499.655 4.950 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(C3CCCCC3)C2=O)cc1 1873164015 IEKSMWKYJAAZHA-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE COc1ccc(OCCN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166033 ZFEPEBUWEOZFMV-UHFFFAOYSA-N 499.611 4.794 10 10 JJCE CCN1C(=O)C(Nc2cc(OC)c(Cl)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422853 SHSMPFINSSPCDS-UHFFFAOYSA-N 479.964 4.977 10 10 JJCE CN(C)Cc1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1951566813 BREWPNDSXROFSJ-DEOSSOPVSA-N 460.530 4.508 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)CC(F)(F)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952353643 NIHNSGLNEMULNG-INIZCTEOSA-N 483.467 4.658 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2CC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106858480 XHVKVFKQRZGMDC-ILBGXUMGSA-N 453.627 4.830 10 10 JJCE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163164338 DUJMHUNVDLRBKM-SFHVURJKSA-N 474.646 4.645 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S1 2293656543 ZEXRBXAKDODSHM-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 2296716184 FXPAQVKUNMCVAK-MRXNPFEDSA-N 494.642 4.623 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 2296881642 TXELUGMBAWWIEO-UHFFFAOYSA-N 456.589 4.551 10 10 JJCE COc1ccc(C(=O)Oc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)cc1OC 2297366740 OGTCCXGUNKUQAP-UHFFFAOYSA-N 481.551 4.917 10 10 JJCE COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OC 2297555698 JBHKRYYFKFHCSO-UHFFFAOYSA-N 486.568 4.838 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1 2313559103 RCQZNFZFIRRBSP-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)ccc1O 2332094812 KJCTZFLPBLMXHO-UHFFFAOYSA-N 455.230 4.902 10 10 JJCE Cc1ccc(CN(C)C(=O)c2cnc(NC(=O)OC(C)(C)C)s2)c(O)c1Br 2381128961 BYCSOFKOIBMVLT-UHFFFAOYSA-N 456.362 4.539 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 2533713 WIVRAFHEACASNV-WUKNDPDISA-N 483.453 4.594 10 10 JJCE Cc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(O)c1 15834421 DKXZUAOBCCEPFG-HSZRJFAPSA-N 498.970 4.877 10 10 JJCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c1 16908140 UREODANKOJIMAY-LFIBNONCSA-N 464.362 4.708 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(SCC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 20238927 QOAJOIIGGCJSHA-PBGDOYKQSA-N 471.520 4.583 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 102444648 GMHAEMJNAKAGIL-FEQHDXENSA-N 462.509 4.762 10 10 JJCE O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 108903056 NNDACEDGIDLYNV-OMCISZLKSA-N 468.339 4.529 10 10 JJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 213148730 WZAGRRJYKULZPH-UYRXBGFRSA-N 465.600 4.906 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526369962 KFKFFFKZDXZRGI-VWLOTQADSA-N 458.514 4.764 10 10 JJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705653340 FQBWYKPGJDUGIE-YADHBBJMSA-N 476.694 4.638 10 10 JJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(Cl)cc4)sc3C)ccc21 1859572333 ZSTDWIFCAWKZFU-UHFFFAOYSA-N 461.996 4.872 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc(Cl)c1 1860343590 HYPSFWMOGCHJSF-UHFFFAOYSA-N 454.917 4.866 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Cl)cc1 1866017651 KGTCFRMVPRVBAX-GOSISDBHSA-N 458.967 4.768 10 10 JJCE C[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867173037 AWEWRDNCXVNYIF-HOTGVXAUSA-N 474.944 4.752 10 10 JJCE COc1cccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1952819289 SYTUYVYSBQUZMU-QPPBQGQZSA-N 459.498 4.798 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079048205 RQELNGMNAYENMT-AWEZNQCLSA-N 462.234 4.527 10 10 JJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C1(C)CC1 2079600609 YMORDAHKQOPVFZ-UHFFFAOYSA-N 450.242 4.874 10 10 JJCE CN(CCCCCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2127650461 NZRHNMHRUWNXGO-UHFFFAOYSA-N 462.635 4.693 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1C 2313543546 KTBLTOMAROKMDT-UHFFFAOYSA-N 491.931 4.729 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)cc2c1 2314647578 CZCILIDVFYYCTC-UHFFFAOYSA-N 461.612 4.781 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1cccc(C)c1 2314768198 GBSQREUUQJMTNG-UHFFFAOYSA-N 450.379 4.834 10 10 JJCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314837117 OLHBIFOCJHRSDY-HNNXBMFYSA-N 478.595 4.564 10 10 JJCE CC(C)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323813064 UPKLHWIFCAPAJD-NSHDSACASA-N 464.790 4.509 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1 3068027 BCQYGTWDQJAVNU-YVLHZVERSA-N 496.395 4.879 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccc(Cl)cc2)cc1 11730659 RULNKJDLTCFPSB-UHFFFAOYSA-N 489.782 4.765 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475648 IPWYCTZWFPAMLP-JXQFQVJHSA-N 469.563 4.738 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1Br 40939943 OSTPLIXVQZLUQJ-OQLLNIDSSA-N 483.796 4.657 10 10 JJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133702 COSGMMKADKQPKK-ODLFYWEKSA-N 494.573 4.594 10 10 JJCE CC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(Cl)c(C)c4)c3)C(=O)N=C2S1 103564525 RQEZRUIVLCNDQR-ODJOWLHGSA-N 454.939 4.745 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccc(C)cc1 206835179 XGQKRDZNNJMRPT-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCOC(=O)[C@@H]1N2C(=O)[C@@H](N=[N+]=[N-])[C@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 230243878 LGDCTGUWGJXHDU-UFPGJGBJSA-N 468.538 4.963 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1084147062 WYFIINVMYNKOTO-ODLFYWEKSA-N 467.884 4.562 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1OC 1858587842 DRIDGGFPUJLCAR-VYVDHXHBSA-N 487.599 4.910 10 10 JJCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N(C4CC(C)(C)NC(C)(C)C4)C3=O)n12 1858589616 BAQMMQHAXABZJH-AWNIVKPZSA-N 455.074 4.868 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2cc(Br)cc(Br)c2O)C1=O 1865672637 INLBKYXFBQEYDO-OQLLNIDSSA-N 480.156 4.576 10 10 JJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 2040479938 DFDSVGAMAPEFRU-MRXNPFEDSA-N 459.545 4.578 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCc1cc(Cl)cc(Br)c1O)C2 2182493137 LLEPKFWYXMXSAO-DCGLDWPTSA-N 459.812 4.933 10 10 JJCE CCCCc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)cc1 2294244514 RZOULBXFMNCMDN-UHFFFAOYSA-N 474.538 4.819 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1 2297310374 JLAVKFHRJVTAIC-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(C)nn(-c2ccc(I)cc2)c1O 2297321607 GRZBKHOCHQHCHN-UHFFFAOYSA-N 498.324 4.605 10 10 JJCE CC(C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314764404 BPCVGIXZCGZSOJ-UHFFFAOYSA-N 477.405 4.783 10 10 JJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314836119 AHTRJBWWKSTDFJ-QGZVFWFLSA-N 498.626 4.830 10 10 JJCE C[C@@H](N)Cc1cnc(Sc2cc(I)ccc2Br)s1 2316467617 DKCOLDYFCKRDFI-SSDOTTSWSA-N 455.184 4.551 10 10 JJCE CCCC[C@@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330125776 FHKBGFCACRVDTG-RUZDIDTESA-N 484.040 4.776 10 10 JJCE COc1ccccc1OCCCn1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 20236422 OCUQCBOSURVFNX-BMAZNJHVSA-N 456.502 4.569 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 33424339 NBOJADDXUVWBKK-YCWTWADVSA-N 463.519 4.983 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3OC3CCCCC3)SC2=S)s1 39793588 MDTAPAJXOCIWBX-ATVHPVEESA-N 488.660 4.652 10 10 JJCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066498 VLYDWUIBZFZSIW-JMIUGGIZSA-N 484.622 4.657 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 226843452 WUSBHBODZKWDSQ-VVBPWWLESA-N 465.402 4.841 10 10 JJCE C[C@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OCc2ccccc2)C1 1178609652 IZBYAMVWCAQEPV-FQEVSTJZSA-N 453.764 4.699 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 1614240076 FUWSVVGKVVBTRJ-KSFZUODXSA-N 457.573 4.900 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873170105 OGPDWRAHLFUYST-NTUVXCKYSA-N 461.606 4.521 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2053515795 KNJGIJBMFHFMMJ-MRXNPFEDSA-N 464.616 4.787 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C(=O)OC)c1I 2079956865 IAMUWMZHZUJTLH-AWEZNQCLSA-N 456.324 4.720 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 2180991290 LKZIYAPLXDLSRX-SQJMNOBHSA-N 471.602 4.769 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4C(SCC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348187 QOAJOIIGGCJSHA-UHFFFAOYSA-N 471.520 4.583 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933659 CEKDLMXCPQUQOZ-AWEZNQCLSA-N 471.556 4.546 10 10 JJCE Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 2843940 WDHKRGFGXZYPNE-OVCLIPMQSA-N 474.412 4.901 10 10 JJCE CCOC(=O)N1CCc2c(sc(NCc3cccnc3)c2C(=O)Nc2cc(OC)ccc2OC)C1 8814316 PBIXCGBGLVIAKG-UHFFFAOYSA-N 496.589 4.539 10 10 JJCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 27520990 WISQVNLJXVJXRH-BKUYFWCQSA-N 482.899 4.863 10 10 JJCE COc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1 27549624 SIJUSHRRTVREQX-DHPBROCDSA-N 478.574 4.818 10 10 JJCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 33676066 XYDIUXTUKYWLLC-MDBUFAAASA-N 477.991 4.690 10 10 JJCE O=C(/C=C\c1ccc(Br)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 34736770 UEOHOUABAILIEY-GHXNOFRVSA-N 491.366 4.751 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1c(C)cccc1C 96450535 COFSXYBIEMNLNI-SZRLJQQQSA-N 496.614 4.710 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 102687099 QXQDHCVBCCNBDQ-HMMYKYKNSA-N 496.633 4.861 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 206837326 JPOWUACAJGAART-LDADJPATSA-N 492.416 4.792 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526570035 CNDYXGQMFOJQTH-XMMPIXPASA-N 460.486 4.512 10 10 JJCE Brc1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)ccc1N1CCCCC1 1461967973 MDWYSQSMTNFXQG-OAQYLSRUSA-N 451.449 4.990 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862283470 HJLYMQHVSFLWNG-NDEPHWFRSA-N 499.655 4.683 10 10 JJCE CNC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866193437 SMBKXUFPDLEAPA-HOTGVXAUSA-N 493.423 4.764 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cccc3c(-c4ccccc4)[nH]nc23)c2nccn2C)cc1 1866211256 NAFBQKSKJPRINN-DEOSSOPVSA-N 450.546 4.549 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(C(C)(C)C)cc3c2=O)N2CCCCC2)cc1 1866437637 IGHACKVCGFKHDV-SANMLTNESA-N 474.649 4.849 10 10 JJCE CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867049464 ASGMEERCDUEAAD-LSQMVHIFSA-N 480.564 4.879 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873165657 OLZZCTPGOYNEJN-YADARESESA-N 463.622 4.767 10 10 JJCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2079997631 FZHSSYBECNUQPC-GOSISDBHSA-N 454.308 4.527 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2294034347 ULBIAZRIJIKMHB-UHFFFAOYSA-N 457.910 4.551 10 10 JJCE CCCCN1C(=O)C(=CNc2cccc(Br)c2)C(=O)N(CCc2ccccc2)C1=O 2297454834 YEXVMMIGYKWLAN-UHFFFAOYSA-N 470.367 4.579 10 10 JJCE Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)c1 2314488509 XXZYLNQNUAJNBY-UHFFFAOYSA-N 477.405 4.572 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 2314648367 YFHYLXVNGOYGDW-UHFFFAOYSA-N 461.612 4.781 10 10 JJCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S 2314739974 OSACOBPFEFRKPH-MRXNPFEDSA-N 450.585 4.842 10 10 JJCE O=C(O)CCCNC(=O)CCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314827401 DFEBOEGHAPLRFZ-UHFFFAOYSA-N 478.595 4.565 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 3659406 FAGUBAKOHOWKCY-UCQKPKSFSA-N 456.546 4.551 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc4ccccc4c3)c3ccco3)CC2)cc1 38598144 SGNGNAJASXFBHN-AREMUKBSSA-N 455.558 4.735 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(C)c1 47133171 RLCAXYVXYPEFBS-UYRXBGFRSA-N 494.598 4.592 10 10 JJCE O=C1N=C(O)/C(=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)C(=O)N1 59863027 DYDHMLPXUKISTM-UHFFFAOYSA-N 461.474 4.912 10 10 JJCE CCOc1ccc([C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C(C)C)cc1OCC 97553909 DFSOYULQKUHNNQ-WKMZLRSWSA-N 452.595 4.847 10 10 JJCE CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 102936909 HKNIJQZPPOELLE-LGMDPLHJSA-N 469.563 4.907 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1SC[C@H]1CCCO1 107981519 BQJKHGYSQFMEMG-LJQANCHMSA-N 480.552 4.743 10 10 JJCE COc1cc(Br)c(O)c([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 642884451 IOHXXQMIWQWNPP-NRFANRHFSA-N 498.329 4.828 10 10 JJCE Oc1cccc2c1[C@H](Nc1cc(I)cc(I)c1)CC2 690396368 RIUSTTKZBOJRLS-CYBMUJFWSA-N 477.083 4.701 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696322 JACCUNUJXVUOOW-GGXMVOPNSA-N 479.665 4.767 10 10 JJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873165182 HJKMDLRRHMEJSR-UHFFFAOYSA-N 499.611 4.939 10 10 JJCE CCCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179745 NPXVJZGCLSIORQ-QHCPKHFHSA-N 452.510 4.615 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cc1I 2124514985 HXUCHEWXPLUFTF-GFCCVEGCSA-N 471.299 4.553 10 10 JJCE CN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163165569 QYHCZFWNIBAOGR-UHFFFAOYSA-N 474.646 4.788 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1cccc(C)c1 2293205561 FYDHAQLAVLWLNE-UHFFFAOYSA-N 474.560 4.639 10 10 JJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)SC1=Cc1ccccc1O 2293752418 UYXUJJCMKRKXPU-UHFFFAOYSA-N 455.583 4.770 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2295905630 JNWWAMLNHTUZAY-UHFFFAOYSA-N 454.573 4.567 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1cccc2ccccc12 2313510687 FHFJBNSDWMBODP-UHFFFAOYSA-N 457.526 4.772 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCc1ccccc1 2314768679 LAAUNMUPILBBNZ-UHFFFAOYSA-N 450.379 4.568 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33772083 FEYIOMIHTOZHBG-SFQUDFHCSA-N 453.614 4.765 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 33921918 UDYWTUSKMCDULA-ZFMLPXDISA-N 454.617 4.930 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3Cl)c3ccco3)CC2)cc1 38606509 IMLIXZWQNUJKLB-QFIPXVFZSA-N 474.388 4.888 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(O)cc1 47152267 GMOFPHMOBBHRKD-RGEXLXHISA-N 471.560 4.701 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)cc1O 96465744 KFSKOUNMSYYATC-NSIKDUERSA-N 455.230 4.988 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C1=O 102471435 GRKVYLZPFFDOQN-FHHIAAGZSA-N 483.553 4.558 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)c1OC 526165139 DHKMLNYMUFLSJH-DEOSSOPVSA-N 470.481 4.720 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526173323 INEQDVSXCAXURA-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Cc2ccncc2)cc1 1860721310 NOZVJQCPHIWFOJ-UHFFFAOYSA-N 460.759 4.522 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1865875346 RNOHRBNGOUYLEG-GRYJWDLSSA-N 496.655 4.867 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](C)[C@@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866262148 LPQFBXUEWZJOBF-VHSXEESVSA-N 454.342 4.568 10 10 JJCE CCC[C@H](NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866814531 FTVTUQUTILDYES-XGAHLHMBSA-N 466.537 4.789 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868852135 MXEBMAOVSFYQQM-CLJLJLNGSA-N 483.628 4.598 10 10 JJCE CCOC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871148243 QSHNWWYFVRMNDP-UHFFFAOYSA-N 473.529 4.787 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166170 FIGQNOWNJQBANH-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1952347686 VMJNHSKBLPICNP-ZEQKJWHPSA-N 495.478 4.658 10 10 JJCE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2079034211 IRQWPLVGQUXVAO-CYBMUJFWSA-N 456.324 4.585 10 10 JJCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1 2205687837 UVWQCBXBSUFUPO-UHFFFAOYSA-N 476.662 4.575 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1F 2293420616 QZTJWRGPUYUUES-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1 2294133697 AYMYYZAIGYQDLV-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1Cl 2296398022 NSRMGSDRRDWKAO-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335327 DCQBBKSQGJJCPL-UHFFFAOYSA-N 468.538 4.812 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 2297347413 HGXVMWQISKNKHU-UHFFFAOYSA-N 475.545 4.864 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314415018 UUJYOYZJUBAOPY-UHFFFAOYSA-N 478.643 4.515 10 10 JJCE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc(Cl)cc5)o4)C(=O)N=C3S2)CC1 20356705 CEUOVSIJMTXFPH-HGPWHKJCSA-N 453.955 4.909 10 10 JJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1 20697927 COYULCCRYSQAME-PLXFJCCSSA-N 451.636 4.573 10 10 JJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33432018 JXMVFSPUQDATHB-BDIDTRLISA-N 469.584 4.552 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 33492905 NYQORQMOQRNYBW-JIHKLPAASA-N 458.653 4.852 10 10 JJCE COc1cccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccc(C)cc2)c1 34684002 BWCPYAFMPHSTFE-UHFFFAOYSA-N 466.603 4.569 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@@H](c1cccc(OCC)c1O)N2 65298392 ZTCRDAIDCZBYRR-QHCPKHFHSA-N 481.593 4.662 10 10 JJCE biogenic COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccc5ccccc5n4)cc3)CC2)cc1 106208447 HQXKWRBOGWBZED-UHFFFAOYSA-N 453.542 4.785 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 205691965 YWVIMXRRCLXOQO-XMHGGMMESA-N 471.560 4.614 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526467263 HXCQQUIETNPTCV-VWLOTQADSA-N 489.524 4.976 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4scc(Br)c4c3)c2)CC1 1585113915 OGFLNSYLNVCOKC-UHFFFAOYSA-N 458.381 4.585 10 10 JJCE CCOc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1O 1858593868 BDJMCDXYKYBWDH-DDNKWHRWSA-N 454.617 4.829 10 10 JJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1860085232 XPDHMZGRPXSNFU-MKMNVTDBSA-N 450.954 4.980 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1860758733 LNFHXHOYAKDTNY-UHFFFAOYSA-N 456.951 4.809 10 10 JJCE CC[C@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 1881515906 ZTNLFUMPUBVRDU-HOFKKMOUSA-N 452.643 4.530 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@@H]1c1cc(Br)cc(Br)c1O 1952456654 NRJLSUWMEGDOKJ-NOZJJQNGSA-N 479.165 4.690 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCCN1CCOCC1 2040479868 BNHHRBRULOEXDV-UHFFFAOYSA-N 493.448 4.633 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079027315 RTMVUHJQHYUANI-KRWDZBQOSA-N 482.362 4.975 10 10 JJCE CCN(CC)c1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1 2205546353 HBGNUJXRDKCYKT-SANMLTNESA-N 466.670 4.744 10 10 JJCE COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccc(Cl)cc1Cl 2297320925 OIZHSYVUNVXNKD-UHFFFAOYSA-N 484.382 4.867 10 10 JJCE CCOc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 2297346873 SIHJDPTUPGRJAQ-UHFFFAOYSA-N 459.506 4.683 10 10 JJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC(=S)N1C[C@@H]1CCCO1 2314522473 KRRRZIITMRIQHS-IBGZPJMESA-N 491.594 4.648 10 10 JJCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314837118 OLHBIFOCJHRSDY-OAHLLOKOSA-N 478.595 4.564 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2321699114 DQWAWUIXJJAVJI-UHFFFAOYSA-N 452.326 4.781 10 10 JJCE COc1cc(C=CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(Br)c1OC 2326991892 VOIZESBBTYMCJB-UHFFFAOYSA-N 492.325 4.894 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147441 DPUQCFKWQYBFQR-UHFFFAOYSA-N 478.932 4.902 10 10 JJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1900122 NGVSSRPDHRTXBO-QURGRASLSA-N 479.627 4.742 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCCC1 14460926 YTOLTDATOCRUSN-DRSNIGMVSA-N 475.408 4.766 10 10 JJCE O=C1c2ccccc2C(=O)C1(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 20178006 UWGUFBHKDXCQDO-UHFFFAOYSA-N 464.487 4.845 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCCOc1ccccc1 33563964 SJOADYSMXYTCDA-CJLVFECKSA-N 472.497 4.968 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526278491 ZSPHMGXIXFWKFA-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Br)c2)o1 1084344526 DWWZONXSEVYOJP-BOPFTXTBSA-N 455.239 4.515 10 10 JJCE O=C(CNCc1cccc(OCc2ccccc2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860719796 HEJIKBHBBBHYPD-UHFFFAOYSA-N 476.532 4.769 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)sc(C)c1-c1ccccc1 1860747794 WJBVZMPBLJVUIP-UHFFFAOYSA-N 477.464 4.891 10 10 JJCE CC[C@@H](C(=O)OC(C)C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827185 UPJQZOVEKGDJOK-DAQNXSASSA-N 474.604 4.610 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(Cl)cc(Cl)cc3c2=O)N2CCCCC2)cc1 1866079640 FBKVFKVRGXAGGJ-QFIPXVFZSA-N 487.431 4.858 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3ccc4cccnc4c3n2)N2CCCCC2)cc1 1866514138 GYCIZPXSQLRZAQ-DEOSSOPVSA-N 469.589 4.512 10 10 JJCE Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867825857 ZSUBSTMVSOCOOG-FQLXRVMXSA-N 498.671 4.876 10 10 JJCE CC1=C(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@H]1C 2053510874 VOPODFGYHLCNAT-AWEZNQCLSA-N 451.529 4.505 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080005207 DGPFYPHQMZIZLD-GOSISDBHSA-N 466.363 4.743 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(Cl)c(C)c3)C2=O)cc1 2293488593 JLBFSEOYVLWHAJ-UHFFFAOYSA-N 477.948 4.758 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] 2294094875 BOIYXTRLTYIFEF-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)=NC3=O)o2)cc1 2296943326 KIXAKIBOSFCTKX-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1 2297344759 JKUZDFUBTXTAMT-UHFFFAOYSA-N 478.574 4.962 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2314414129 QKODEVYBPDUHAX-UHFFFAOYSA-N 456.637 4.749 10 10 JJCE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(C)cc2O)c1 15834223 TUDYTGNCYQNBAC-XMMPIXPASA-N 478.552 4.532 10 10 JJCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1 16908142 RJYJETFRXAIXMY-MHWRWJLKSA-N 464.362 4.708 10 10 JJCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C(C)C)C3=O)cc2OC)cc1 33316182 TWQRGPVPGRDEOU-VOBGMVAUSA-N 469.584 4.932 10 10 JJCE O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808718 LRJQMJPGKPDOEO-HKWRFOASSA-N 478.599 4.781 10 10 JJCE N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 33860799 LOOFMHRXPIKIMP-AHMVSGTESA-N 483.475 4.902 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413651 AISFSKQKGGBVQA-GOTSBHOMSA-N 472.570 4.530 10 10 JJCE CCCc1nn2c(/C=C3\C(=N)N4N=C(CC)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 102470593 LMYCDMPLNVFKPA-OAKBMTRYSA-N 463.592 4.748 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(O)c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 108420142 UJQJLSNGAFFKQJ-WPHIWBHXSA-N 492.539 4.829 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 108807970 LBQCUZCLZFAJQL-UHFFFAOYSA-N 454.530 4.534 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 206726742 CIJFKVQRTWTVRF-CPNJWEJPSA-N 469.613 4.701 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)c1 213177392 RTIJJCYSLAPUKD-PDGQHHTCSA-N 451.573 4.713 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(C)cc1 1860658465 VUTIGPFTIOTHJV-LJQANCHMSA-N 469.607 4.685 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827296 WKERKOUKJFYKJG-YIRPMMGJSA-N 493.610 4.907 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl 1865679637 XPUISCCVHJWLMY-BOPFTXTBSA-N 493.878 4.989 10 10 JJCE Cc1noc(C)c1COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871014278 VMYHJIQCRGEZEZ-UHFFFAOYSA-N 487.604 4.949 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873166628 UAEIRDMMOAQUPV-AREMUKBSSA-N 483.612 4.575 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423776 SKAASJJOZPKDKX-UHFFFAOYSA-N 495.583 4.582 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C(=O)O)c2I)C2(C)CC2)cc1C 2079977442 LZWDLXIEZZYXCM-QGZVFWFLSA-N 466.319 4.775 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296706668 GZMRSDOHMVOAFK-UHFFFAOYSA-N 464.616 4.535 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4SC(C)C)o2)c([N+](=O)[O-])c1 2297348184 QCSFAMPJILNJQF-UHFFFAOYSA-N 485.547 4.972 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)C2=O)cc1 2297500289 YEHIXMVOBNULPA-UHFFFAOYSA-N 474.900 4.788 10 10 JJCE C[C@H]1CCCN(c2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)C1 9642104 LBVBYSDBNFAUMO-KRWDZBQOSA-N 459.546 4.619 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478050 DEYZECOAJMSAHH-XLNZFTOWSA-N 453.564 4.842 10 10 JJCE COCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 33436352 CBLMCWNIYIRXGQ-LDADJPATSA-N 464.406 4.876 10 10 JJCE CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)cc2)no1 35552855 FGVVEWUYZSAKBS-UHFFFAOYSA-N 455.562 4.669 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)CC 38203790 UHANYDNCQBXIGO-CPOQMQJTSA-N 456.589 4.809 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccccc3Cl)c3ccco3)CC2)cc1 38620012 GTBSBGYBLGZLTE-QFIPXVFZSA-N 454.958 4.627 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C[C@H](O)COc2ccc(Br)cc2)cc1 40316720 ZTTWVIISPXVKBM-NRFANRHFSA-N 459.384 4.550 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1 105263646 FFYFSDHXLSCABP-SANMLTNESA-N 472.566 4.605 10 10 JJCE COC(=O)c1c(NC(=O)CNc2nnc(C(F)(F)F)s2)sc(C)c1-c1ccc(C)cc1 821218342 YAJAAJUTRREMMD-UHFFFAOYSA-N 470.498 4.739 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1F 1084426368 NNHIZYFYWBBKCV-UYRXBGFRSA-N 495.304 4.834 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1O 1653761032 BYQBAXNPIQDOPL-FOIQADDNSA-N 452.776 4.956 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866556136 JWBVRCRORGQQDM-UHFFFAOYSA-N 472.884 4.526 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868679890 BFULZIJIGADDHX-LMSSTIIKSA-N 491.676 4.685 10 10 JJCE CC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868875924 GKRHROZKOOLXNJ-UIOOFZCWSA-N 498.067 4.866 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165974 YWDWGBTYZOSFOF-LJQANCHMSA-N 487.600 4.650 10 10 JJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C(F)(F)F 2079678130 JRJKDSDMJUDLKF-UHFFFAOYSA-N 475.046 4.585 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNCc2cc(Cl)cc(Br)c2O)C1 2205240172 JOWRBPTUPYIAGS-JLTOFOAXSA-N 459.812 4.935 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2296543458 CZZKGQCPBHNWFH-UHFFFAOYSA-N 485.034 4.880 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297334817 NYWCPVQJHAZTNW-UHFFFAOYSA-N 488.308 4.993 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(OCC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 2297348088 GJFFRCIIDVOTNO-UHFFFAOYSA-N 453.480 4.673 10 10 JJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(c2cccc(Br)c2)C1=O 2314931702 HRGSJFPPUNRXHA-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)c1 2321582897 RVTHQSIXRWBBFN-UHFFFAOYSA-N 453.419 4.508 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 3652111 KMOLUPPZQBJSES-JLDPKJTDSA-N 484.980 4.608 10 10 JJCE CN(C)CCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612342 JQCAEFCIWKMVEB-UHFFFAOYSA-N 499.590 4.869 10 10 JJCE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15045005 SQVWTBKSTAEUGG-RRMQHPPMSA-N 498.626 4.830 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 20701871 KUIPQBYSRUHPOM-KXXRBXEXSA-N 495.428 4.983 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1 34913939 YRSDMVHRSFFPGD-BEVTXOSISA-N 474.464 4.846 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 205691942 FVNWOJZBDWMKRM-XMHGGMMESA-N 471.560 4.614 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2cccc(OC)c2)cc1 205960367 ZXOUAODVBSZEID-XIEYBQDHSA-N 457.530 4.527 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 210739416 BBVQTLVCPFSBBY-XSFVSMFZSA-N 474.579 4.940 10 10 JJCE O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(F)cc1 211957211 OAWBNORJTZBACO-UDWIEESQSA-N 468.531 4.838 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526262457 XLLGKNUNHWXNBV-VWLOTQADSA-N 475.497 4.765 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526286127 HWCXGQNDUFGGSF-JOCHJYFZSA-N 493.903 4.702 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526309832 VNGYPNHNMKOARL-NRFANRHFSA-N 453.878 4.826 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4C)o3)C2=O)cc1 1084403620 VLJZYJDIWIYKSM-XDHOZWIPSA-N 481.302 4.693 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(SC)CCN(C)CC1 1705479563 NGFSTQKULGZBPG-HXUWFJFHSA-N 476.694 4.638 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2053513838 XEACFTVVJCQJMX-GFCCVEGCSA-N 452.897 4.573 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c1 2225801001 RNBRCHMSCFSRBG-KBPBESRZSA-N 471.299 4.599 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 2297298159 JAEWZALLCLECMW-UHFFFAOYSA-N 486.018 4.793 10 10 JJCE CCCCc1nnc(NC(=O)CCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)s1 2297350259 FSOXZIKBAITORZ-UHFFFAOYSA-N 458.634 4.667 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1OC 2297478165 YRZWOMOJLRFQLE-UHFFFAOYSA-N 464.406 4.910 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2314506531 FMXWUFKOWKAJCP-UHFFFAOYSA-N 481.599 4.887 10 10 JJCE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331595033 DWMIMPUHEKBUNA-UHFFFAOYSA-N 498.626 4.738 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14461032 PXNVTORGQHRGAU-WHSLLNHNSA-N 463.397 4.670 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21 14478035 YNHQZLFRQWIPIO-XLNZFTOWSA-N 453.564 4.986 10 10 JJCE COc1ccc(/C=C2/C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)c(OC)c1 33417561 FVOBXJXUWHOQSM-NTUHNPAUSA-N 454.788 4.883 10 10 JJCE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCC[C@@H]1c1cccs1 104848987 BRJCXYYDGIBDHA-QGZVFWFLSA-N 455.605 4.859 10 10 JJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 205967348 GPGABJQCVROSEF-JJIBRWJFSA-N 471.513 4.627 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526468266 GGTWFFJIJDZPKT-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 728483645 DTKONFJSNLDZTG-UHFFFAOYSA-N 462.889 4.775 10 10 JJCE O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084084645 GUUXULAZZXWBPF-UHFFFAOYSA-N 455.499 4.735 10 10 JJCE COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 1565531639 BAUSIIWMFSARGA-QUMGSSFMSA-N 480.564 4.853 10 10 JJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858596696 YSOYFHFOHQEESA-HDUYLQCLSA-N 471.600 4.975 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)cc2)c1 1860874567 RGGSITPOGKGOIY-UHFFFAOYSA-N 477.008 4.550 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc2)cc1 1866277662 AJDOAPUJNNNPMX-LJQANCHMSA-N 456.546 4.653 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869097786 ADNCTVNBITXLHU-VWLOTQADSA-N 473.621 4.513 10 10 JJCE CCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871081026 SOTICDORKAWNLQ-UHFFFAOYSA-N 462.594 4.861 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170529 DDMZKVCLOLYLAB-DEOSSOPVSA-N 490.003 4.796 10 10 JJCE CC(=O)NCCN1C(=O)C(Nc2ccccc2C(C)(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422059 DHAWNBFHKKMESH-UHFFFAOYSA-N 498.627 4.720 10 10 JJCE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422301 PTBGKMOEOOQNBH-UHFFFAOYSA-N 468.557 4.797 10 10 JJCE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc3[nH]2)cc1 1873506205 AJCPVSHWJVZVFZ-UHFFFAOYSA-N 459.981 4.912 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080055621 HYSJSCXRVMKZFH-MRXNPFEDSA-N 490.288 4.924 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc(N)c2C1 2163346438 ZPHHESRGYIEPRT-MUUNZHRXSA-N 462.638 4.664 10 10 JJCE CC[C@H](NCc1csc(CNC(=O)OC(C)(C)C)n1)c1cc(Br)ccc1O 2286733219 ABCSDQODUCXSCM-HNNXBMFYSA-N 456.406 4.877 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccncc1 2294229333 KZSCJUNMYZPGMW-UHFFFAOYSA-N 471.369 4.627 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 2296331070 JUIKIBUXGHPOLX-UHFFFAOYSA-N 479.989 4.978 10 10 JJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314837958 YYTCRIKLJMBLDO-GFCCVEGCSA-N 477.405 4.692 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 2314937083 JXPVCYCQVYIZID-UHFFFAOYSA-N 464.515 4.614 10 10 JJCE CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nnc1-c1ccco1 8620152 RTWWHOVGZSEOPX-UHFFFAOYSA-N 464.547 4.727 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 15039597 TUQASOCBYZHIQT-BOPFTXTBSA-N 495.395 4.914 10 10 JJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 39836133 UVSUWRXGZZSCKF-XDHOZWIPSA-N 465.600 4.961 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 39983429 APGPGBWJRQYGQK-YWBAYFEHSA-N 479.627 4.659 10 10 JJCE COc1cccc(-c2cc3ccc(O)c(CN4CCN(c5ccccc5F)CC4)c3oc2=O)c1 72238396 XYYUGOHNGIVHCU-UHFFFAOYSA-N 460.505 4.636 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2ccc(OC)cc2OC)cc1 205963375 XGXAPKXEEWTNOH-LFVJCYFKSA-N 461.493 4.989 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726707389 YDQMJEKBUSBMRZ-HXUWFJFHSA-N 451.546 4.811 10 10 JJCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 1084104613 FRDGEKOVRMHYQO-ATVHPVEESA-N 487.350 4.611 10 10 JJCE CC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c2ccccc21 1670621336 RCIOERCQNNGSBV-JTSKRJEESA-N 455.002 4.873 10 10 JJCE COc1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344942 JEJKCROQNDAKNV-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](N)[C@@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1865950336 RLVUKHPPOPCKQV-GTNSWQLSSA-N 453.402 4.975 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cc3cc(Br)ccc3o2)c2nccn2C)cc1 1866083653 CYPWWGYDMDYCTC-FQEVSTJZSA-N 453.340 4.514 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5cc6ccc(C)cc6nc54)nc(C)n3)CC2)cc1 1869283718 ABGOPOOOMHEBHO-UHFFFAOYSA-N 466.589 4.671 10 10 JJCE COc1ccc(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166972 MVEANOHUZPZNIZ-UHFFFAOYSA-N 487.600 4.637 10 10 JJCE CCCCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169582 QCJKQOFQIDWQLM-UHFFFAOYSA-N 481.600 4.683 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170298 URIJGCIEMFONPS-KBMIEXCESA-N 468.601 4.938 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422743 MUEVDWWGCKGKMQ-UHFFFAOYSA-N 461.537 4.852 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2296882124 JOOGOCQNYYHEDO-HXUWFJFHSA-N 457.573 4.901 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 2313558643 GGFKRDOCFVXXLS-UHFFFAOYSA-N 476.529 4.553 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)OCC)C2=O)cc1OCC 2314759369 CNJVWCGYSDDYGJ-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314769380 PGZOCUXBDQBNIJ-QGZVFWFLSA-N 478.389 4.573 10 10 JJCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCc3ccccc32)cc1 15780715 QRLMCCHGXRGTCD-FQEVSTJZSA-N 462.040 4.550 10 10 JJCE COCCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 33266847 XVBUFYBJIMNUPH-HHHXNRCGSA-N 498.631 4.689 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C 33859585 QNGFHHBTUOVCHG-DBQMFKLFSA-N 478.574 4.737 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc4ccccc34)c3ccco3)CC2)cc1 38598141 FZLRFVNABOGLLW-SANMLTNESA-N 455.558 4.735 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OCC 206927226 YYUTULOBPZPIBJ-XSFVSMFZSA-N 456.589 4.729 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 213149960 XZFLDKAJKQKZNX-SILNSSARSA-N 495.626 4.677 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526333687 RQSLQIWVIHDVDO-VWLOTQADSA-N 474.513 4.902 10 10 JJCE COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCCC1 920870412 FFCHURFRIXARFR-PMACEKPBSA-N 467.610 4.975 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 1084282580 LQKPTZMTAMEVRB-NDENLUEZSA-N 480.879 4.733 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1O 1307683028 GUHSDSDWYYPLDD-CTNGQTDRSA-N 453.341 4.881 10 10 JJCE CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(F)(F)F)C1 1749817935 MOARUPSBFIUOSS-FQEVSTJZSA-N 488.558 4.610 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)N(C)C)cc1 1858594301 TWJUFIDSFTUFBC-LPGQDOADSA-N 477.449 4.962 10 10 JJCE Cc1cccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1 1860502454 PSRXKQDMBVOMHW-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1cccc(C(F)(F)F)c1 1860715795 YOWIYNFDGXQIJI-UHFFFAOYSA-N 451.670 4.945 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1cccc2ccccc12 1865679193 ACUOJWDWTGXHHM-YBEGLDIGSA-N 469.375 4.868 10 10 JJCE COc1cccc(COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871056524 MXKVIYHVVOPASK-UHFFFAOYSA-N 471.557 4.784 10 10 JJCE COCCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420501 NQGVXOZGIHZHBW-UHFFFAOYSA-N 483.490 4.951 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424268 MYMQCWLBLWDBHW-MRXNPFEDSA-N 458.518 4.993 10 10 JJCE COCCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 2042449584 KDPPFWFRZSYEHB-UHFFFAOYSA-N 461.634 4.682 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)cc1C 2079847165 OPMVGLRPTRPRDV-OAHLLOKOSA-N 464.294 4.876 10 10 JJCE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080022728 OFBKBWNCXGAPTQ-SFHVURJKSA-N 454.308 4.527 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1I 2080052696 CKUYTEQXBKLCST-LBPRGKRZSA-N 478.277 4.924 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1 2296397966 JYWHQWHNQHFLOC-INIZCTEOSA-N 472.497 4.913 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C 2296931291 CTNRYBHODZPGBR-UHFFFAOYSA-N 463.921 4.731 10 10 JJCE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 2297364347 ZSEAFEVYKHUREI-UHFFFAOYSA-N 482.536 4.865 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)cc2)cc1 2977212 OURUFFYSELZVAL-HAVVHWLPSA-N 458.470 4.660 10 10 JJCE CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)c1 33396932 AUHIJTPNSCHMRX-MOSHPQCFSA-N 458.561 4.754 10 10 JJCE CN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 33746054 NXISTZFJEPAROZ-NTEUORMPSA-N 464.355 4.625 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC3CCCCC3)SC2=S)s1 39793658 AAXDTPJBPUYUHD-AQTBWJFISA-N 488.660 4.788 10 10 JJCE Cc1cccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)c1 54201735 CJFSKCMJLOMRLS-UPVQGACJSA-N 484.581 4.879 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1 85649151 OJJXBONEDHKGNA-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN23)cc(OC)c1OC 103563116 LKIXHDYCUAZEHX-HRFSGMKKSA-N 476.529 4.977 10 10 JJCE CCOc1cc(Br)c(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1OC 108838884 HZFJLXXKCSCRBX-CAOOACKPSA-N 465.394 4.653 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 210726652 CHRFRNGJSBKMFJ-KNTRCKAVSA-N 476.664 4.727 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526378783 QJYHNPINUJUPMW-VWLOTQADSA-N 477.513 4.959 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526509651 LCWRWXXQQUIPLE-HSZRJFAPSA-N 496.947 4.892 10 10 JJCE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C1=O 1084169232 VFXKAFIIRTZCGH-ATVHPVEESA-N 451.822 4.517 10 10 JJCE Brc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1N1CCCCC1 1200192800 GOSCQGJXZMQARZ-UHFFFAOYSA-N 450.465 4.564 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1OC 1858588089 PGVJRKYZNUOOKA-UPAIAECRSA-N 463.602 4.963 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871505644 JBHOCMYDINGPFO-UHFFFAOYSA-N 489.668 4.954 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(COc5ccc(Cl)cc5)[nH]c4c3)CC2)cc1 1872798274 RSQFQDVIRYLSLV-UHFFFAOYSA-N 476.964 4.766 10 10 JJCE Cc1cc(O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2c3c(c(=O)oc2c1)CCC3 1874017349 PGMJKIYBXDRPOY-INIZCTEOSA-N 493.515 4.772 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1C 2038109073 YRCYSMSWGRRXIG-UHFFFAOYSA-N 474.586 4.549 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079981219 NPHPEQCXULNPBK-SFHVURJKSA-N 468.335 4.720 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080039259 VPWSLEJFWHEHTG-QGZVFWFLSA-N 453.368 4.566 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccccc1C 2296537582 YODWBDLMICYCLV-QGZVFWFLSA-N 469.584 4.603 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1ccc(N(C)C)c(Br)c1 2297507898 NQQMWMQTNYVNOK-UHFFFAOYSA-N 462.731 4.673 10 10 JJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 2314740710 MABPHUWMRHVNCE-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836649 HYBBQWNHPGSPLV-SNVBAGLBSA-N 481.368 4.522 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933364 AVSLJZPTZWWFNS-MRXNPFEDSA-N 461.536 4.872 10 10 JJCE CCC(=CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 2324652255 PRIZYJUMJKUNMR-UHFFFAOYSA-N 459.384 4.609 10 10 JJCE CC(=Cc1ccccc1Cl)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330465156 GYMVBMWUVGCGGM-MRXNPFEDSA-N 472.928 4.662 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1c(F)cccc1Cl 2332141019 BSJMHVXNQIDPNI-UHFFFAOYSA-N 485.777 4.503 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(F)cc3)CC2)cc1 20289478 BZGRHFXSOQDNBA-HOYKHHGWSA-N 453.583 4.578 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 33448224 GZENOLOVHWCVDL-JKGLIZDUSA-N 487.497 4.861 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 96129563 RLMDMBUWZKBFRA-KAMYIIQDSA-N 499.611 4.836 10 10 JJCE COc1ccc(C2=C/C(=C3\SC(NC(=O)c4ccccc4)=NC3=O)c3ccccc3O2)cc1 101347539 BPURMLCEEJAGAS-BSYVCWPDSA-N 454.507 4.899 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526214838 WLNXHANGVCZPNZ-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4cccs4)[C@H]3c3ccc(N(C)C)cc3)cc2)CC1 526388132 MIZQSYVBZLBVLG-RUZDIDTESA-N 474.630 4.623 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(N(C)C)cc1 526478534 GJYBXPFDNPDSMN-VWLOTQADSA-N 488.540 4.614 10 10 JJCE CC1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)CC1 586668618 JSBDSNKRTDMKLM-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)CCC4CCCCC4)CC3)ccc21 1860593371 JQFFHXOTFYDSAI-UHFFFAOYSA-N 472.585 5.000 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)c3ccc(F)cc3)c3ccccc23)SC1=S 1860826600 JGQTXKOYEOFWED-CIAFOILYSA-N 482.558 4.729 10 10 JJCE COc1ccc([C@H](C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866982944 MCVRPRQBFKMCCW-XMMPIXPASA-N 498.579 4.744 10 10 JJCE COc1cccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1868169684 NQUGJEOWTCQTSQ-UHFFFAOYSA-N 452.466 4.615 10 10 JJCE CCCNC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135924 AASIMUFWLLSVQJ-UHFFFAOYSA-N 497.599 4.552 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873166193 GKDVEYSRYBAYJN-SQJMNOBHSA-N 469.585 4.704 10 10 JJCE CCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421826 SUTOAZRECQARCZ-UHFFFAOYSA-N 459.546 4.713 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2c(O)cccc2O)C1 1952450998 NXLUNJOCPLGUON-OPAMFIHVSA-N 459.498 4.885 10 10 JJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(F)(F)F 2079673853 CSOVKAVTKOBKJK-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE CCCN[C@@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2090038766 ADRLABRYHTYUSJ-DEOSSOPVSA-N 453.627 4.992 10 10 JJCE CC[C@@H](Nc1cnn(CC)c1I)c1cc(Br)ccc1O 2280041455 GUXHWCPBNMXTID-LLVKDONJSA-N 450.118 4.539 10 10 JJCE COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2296025137 TVSJHQYDMBNZOK-UHFFFAOYSA-N 499.498 4.534 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)c1 2297298405 KJNBJKBSGQAEOZ-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE CCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314648139 QHTBANQABWRZST-UHFFFAOYSA-N 469.632 4.626 10 10 JJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314827841 NJJFWKGUPUTCJC-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE CCCCNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641609 XXBHMPDIKBAILQ-UHFFFAOYSA-N 453.546 4.973 10 10 JJCE Cc1c(N2C(=O)/C(=C\C3=Cc4ccccc4O[C@@H]3C)SC2=S)c(=O)n(-c2ccccc2)n1C 34967928 WMAUWFCQZSLYHJ-ZFMLPXDISA-N 475.595 4.598 10 10 JJCE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990464 JUPORPYRFGOOEY-XHLHXLRASA-N 486.707 4.920 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCCC)C2=O)cc1OC 40938928 ZARCKHSPXNLVFL-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)NCc1ccccc1 210759532 ROEPXRXKPKJEDS-HMMYKYKNSA-N 469.588 4.673 10 10 JJCE CN(C)c1ccc(CNc2cc(I)cc(I)c2)cc1 690396905 VURMIWIGFYQPNY-UHFFFAOYSA-N 478.115 4.574 10 10 JJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(C1CCCCC1)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865025937 FWWXPHGZGFOZBV-XMMPIXPASA-N 494.636 4.811 10 10 JJCE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868708727 UVVZIUSPUQQZEV-RRPNLBNLSA-N 497.655 4.988 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCOC(C)C)C2=O)cc1 1873420648 RXGPFWWVYMLUAK-UHFFFAOYSA-N 479.527 4.989 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(CCCN(C)C)C2=O)cc1 1873421348 SIYAJJCMLUTWNO-UHFFFAOYSA-N 496.533 4.655 10 10 JJCE CCCN[C@H](c1ccc2c(c1)CCN2C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106857568 MECXTYWXOCOXBS-UKILVPOCSA-N 453.627 4.830 10 10 JJCE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 2294034424 XYEHJHJZCLGVDG-UHFFFAOYSA-N 463.361 4.720 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C 2294769460 UWKKNWPKLKMVTQ-UHFFFAOYSA-N 454.625 4.628 10 10 JJCE O=C1C(=Cc2ccc(O)cc2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1 2297315679 FURMULSOGSTHQZ-UHFFFAOYSA-N 479.355 4.903 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2357413717 RDOUVBFXZGAUOS-DWIHMJRXSA-N 465.638 4.860 10 10 JJCE CN(C)c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 15707267 CGRHCOLLOLVUHM-NRFANRHFSA-N 452.921 4.618 10 10 JJCE CCOCCN1CCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)CC1 23441312 JKGBOVTVACWFPC-UHFFFAOYSA-N 496.051 4.920 10 10 JJCE O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1ccc(N=Nc2ccccc2)cc1 254836461 LPAWPBOOBOILRK-UHFFFAOYSA-N 450.882 4.667 10 10 JJCE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(c2ccccc2)C1=O 1084261171 FZJVOLSDXWKZEJ-SFQUDFHCSA-N 496.273 4.626 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)N1CCCCC1 1705622542 LFBYYVYOKPMBOS-UHFFFAOYSA-N 488.680 4.703 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccccc3F)C2=O)cc(Br)c1O 1858591515 QWDNHKLGPMHCNM-OVCLIPMQSA-N 454.342 4.704 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F 1865678508 PUEIPQNIPSDDFU-GHXNOFRVSA-N 472.822 4.849 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)Cc2c[nH]c3cccc(OCc4ccccc4)c23)c2nccn2C)cc1 1866265023 QPGCFYIHKSYIBP-LJAQVGFWSA-N 493.611 4.995 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873162200 KBHXRLCNRFRJIT-UHFFFAOYSA-N 465.553 4.800 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c1 2296705078 NQNKYXVQVXRSNB-UHFFFAOYSA-N 493.610 4.922 10 10 JJCE Cc1ccc(CN[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(O)c1Br 2352676430 PIELYQDVCKFRFY-LJQANCHMSA-N 459.384 4.744 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O 14459681 HDFKNRIDOXPGAV-AXHZCLLHSA-N 454.592 4.792 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1cccc(C)c1 27531743 XGTUCIHZOJBBBI-CJLVFECKSA-N 473.616 4.699 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccccc3Cl)c3ccco3)CC2)cc1 38620015 GTBSBGYBLGZLTE-JOCHJYFZSA-N 454.958 4.627 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2ccc(OC)cc2OC)cc1 205963416 UUFFJSMZPISKAJ-LFVJCYFKSA-N 488.500 4.758 10 10 JJCE CCN(CCOC(C)=O)c1ccc(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 254304627 XBYZHLACZVLMFP-UHFFFAOYSA-N 488.444 4.693 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526226700 KJQRWGOZIVGFPI-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CC(=O)c1ccc(N2CCN(c3nnc(C(C)C)n3CCCSc3nccs3)CC2)c(F)c1 1722744320 IFSMVTWBYMCGIR-UHFFFAOYSA-N 488.658 4.709 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc(OC)c1O 1865679948 OVUOZUPDUOHEEY-QPEQYQDCSA-N 471.229 4.520 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418948 IOJADCKHSRCBOV-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE CCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421656 JPKPBAVDXSOLMO-UHFFFAOYSA-N 459.546 4.713 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C(C)C)cc3)cc1C2=O 1873892994 VULUGEXGRYOGIE-UHFFFAOYSA-N 485.492 4.688 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2053493185 AVCNTNDGCPICKA-UHFFFAOYSA-N 460.515 4.647 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2294253338 CHVKUHHQQYTTNL-UHFFFAOYSA-N 473.504 4.799 10 10 JJCE COc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 2296883108 NVWZXIKIKKNPII-UHFFFAOYSA-N 476.579 4.820 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(C)c4)c(Cl)c3)C2=O)cc1 2297364282 DRASYBAVUHYZIT-UHFFFAOYSA-N 474.900 4.842 10 10 JJCE O=C1C(=Cc2cc3ccccc3nc2N2CCOCC2)SC(=S)N1CCc1ccccc1 2314647561 CCHUQEIAZVNLRN-UHFFFAOYSA-N 461.612 4.515 10 10 JJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1CCc1ccc(O)cc1 2323675342 DPEOSXTZJLWZRZ-UHFFFAOYSA-N 470.797 4.958 10 10 JJCE COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 3460922 WVPXHLUZWWYUST-PXLXIMEGSA-N 497.619 4.864 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](CC)(c4ccc(F)cc4)C3=O)c2C)cc1 8891303 AQBQJVBLEWJARW-HHHXNRCGSA-N 477.536 4.672 10 10 JJCE COc1ccc(N2CCN(C(=O)c3csc(Nc4ccc(OC(F)(F)F)cc4)n3)CC2)cc1 9239942 AWTSGDQHNCEFJE-UHFFFAOYSA-N 478.496 4.756 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 210463771 SAGCYVFIRDQGLZ-MOSHPQCFSA-N 457.573 4.961 10 10 JJCE CN(C)c1ccc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2N2CCOCC2)cc1 526502760 YJXJQVKTMKOJRD-XMMPIXPASA-N 461.587 4.708 10 10 JJCE CCOc1ccc(CCN=NNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1OCC 1860488688 FWCUWPYGJQONHY-UHFFFAOYSA-N 455.603 4.577 10 10 JJCE CCCOc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OCC 1860713270 SASPNGNDWRWSAH-UHFFFAOYSA-N 486.568 4.768 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3cc(Oc4ccccc4)ccc3[nH]2)c2nccn2C)cc1 1866537151 XUUUJHWCQWKKSW-HHHXNRCGSA-N 493.567 4.639 10 10 JJCE CCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868690379 VMVDGANAEIVOEV-NSOVKSMOSA-N 491.676 4.829 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4c(F)cccc4Cl)cc3)CC2)cc1 1872716837 NLGBSYHDISDQOF-UHFFFAOYSA-N 490.984 4.578 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(CCN(C)C)C2=O)cc1 1873421354 SWXLFEZSCWOYSS-UHFFFAOYSA-N 486.616 4.635 10 10 JJCE CCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421874 VNGMGCDMQBOGCC-UHFFFAOYSA-N 458.518 4.913 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425485 AWSPAOKROLUBSL-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cc5ccccc5n4C)cc3)CC2)cc1 1874748276 WWEGPESXQGFAHR-UHFFFAOYSA-N 497.595 4.801 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1 2293163901 NDPRGSVJFWLRCE-UHFFFAOYSA-N 465.509 4.673 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348245 XSEHFDHEZNLWCD-UHFFFAOYSA-N 487.497 4.725 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NC2CC(C)(C)NC(C)(C)C2)cc1 2297471511 WAPUKUVWGXEWST-UHFFFAOYSA-N 476.621 4.628 10 10 JJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2318684230 VMFFXTODRQJALS-MADCSZMMSA-N 464.790 4.509 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)cc(Br)c1O 2332110896 NPNZIMKSNDMTMC-UHFFFAOYSA-N 464.319 4.783 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2cc(Br)c(OC(C)C)c(OC)c2)C1=O 2332127294 JSMPOROBEIWFON-UHFFFAOYSA-N 473.367 4.903 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3cn(Cc4ccc(F)cc4)c4ccccc34)CC2)cc1 9523694 PNZYSKSLEOVTTA-UHFFFAOYSA-N 457.549 4.729 10 10 JJCE O=C(CCn1cnc2sccc2c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 11968250 UWELDSGOBQFFPW-XMMPIXPASA-N 455.539 4.613 10 10 JJCE C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15046174 UGORLVKSXIRELN-XBTXGSBDSA-N 453.372 4.927 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 32964321 SUXHHESGCQVGEE-ZJRBDENDSA-N 485.569 4.883 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 33404378 KCXZOASRKXIEGF-NDENLUEZSA-N 466.896 4.918 10 10 JJCE COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850204 AQMDZAXBEYFWQF-BKUYFWCQSA-N 479.583 4.506 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1Cl 102476204 BBDLLRHHZMAAJF-FDLDKBQRSA-N 495.992 4.930 10 10 JJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccc(F)cc1 208278276 CBEMSXJHCDAYKJ-KGENOOAVSA-N 465.575 4.612 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526506370 LBXPXGXVPNREQQ-AREMUKBSSA-N 473.573 4.893 10 10 JJCE Cc1cc(Br)ccc1NC(=O)CNCc1cc(Cl)cc(Br)c1O 1860721129 IDCQNMSWTVPRMS-UHFFFAOYSA-N 462.569 4.607 10 10 JJCE Cc1cc(Br)cc(C)c1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865937919 PHPOKGLWCAHMGM-QHCPKHFHSA-N 488.470 4.854 10 10 JJCE Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Br)cc1 1868171282 BVVXDTSIXFAOSY-UHFFFAOYSA-N 486.325 4.971 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5cc6cc(C)ccc6nc54)nc(C)n3)CC2)cc1 1869283729 ALDNVBHPKDNPCS-UHFFFAOYSA-N 466.589 4.671 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 2293615610 IZKUFRQTNOZXGB-UHFFFAOYSA-N 476.554 4.968 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(OC)cc3)c(OC)c2)SC1=S 2297347249 AYCNWEGHAUZJSZ-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)c(Cl)c1 2313682972 OSFKAPIOVWKCEX-UHFFFAOYSA-N 463.277 4.553 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1 2314831991 XFLBTJXRBKBRLW-UHFFFAOYSA-N 455.561 4.995 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC 6906112 OGVQBZRPEMKUBQ-LDADJPATSA-N 493.006 4.596 10 10 JJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14462217 JXUYRSJHQZUIRI-YQNORIIPSA-N 481.662 4.817 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15045627 LPMDCMKJXQLMEM-HJPCULJESA-N 477.405 4.692 10 10 JJCE CN(C)CCCN(CCCN(C)C)c1cc(/C=C2\Sc3ccccc3N2C)c2ccccc2[n+]1C 201300090 OABOVFHYYYOOLB-UHFFFAOYSA-N 490.741 4.915 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1OC 1084617496 PVFXYFGRSZQIOW-LICLKQGHSA-N 465.394 4.737 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(Cc4ccc(Cl)cc4)n4ccccc34)CC2)cc1 1858350317 NHSNGRFJROUZBB-UHFFFAOYSA-N 460.965 4.550 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)N(C)C)cc1 1858594171 OGAINVYPIFIGMK-BRMCRPDNSA-N 493.079 4.870 10 10 JJCE CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc(C)c1-c1ccc(Br)cc1 1865957526 NQHDHOLACUILBN-UHFFFAOYSA-N 454.342 4.554 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868701054 XPVRTFHMSPQFQL-NAKRPHOHSA-N 483.628 4.598 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4c(F)c(F)c(F)c(F)c4F)c3)CC2)cc1 1872849556 FXGDZAKCYVKHRI-UHFFFAOYSA-N 492.444 4.932 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873162332 QBDSEPNWCMHTEA-UHFFFAOYSA-N 483.543 4.939 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873168155 KYEAOOWKBIOXCM-UHFFFAOYSA-N 497.643 4.941 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nn3C)CC2)cc1 1892050862 SJYTYMCURCJGNQ-UHFFFAOYSA-N 452.558 4.725 10 10 JJCE COc1cc(Cl)cc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1952249276 FXCDPNZEGPEYBD-RUZDIDTESA-N 467.905 4.893 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2c(O)cccc2O)C1 1952450996 NXLUNJOCPLGUON-AOMKIAJQSA-N 459.498 4.885 10 10 JJCE COCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(C)cc3)cc2)SC1=S 2296701093 OAOFAELYVHTVAS-UHFFFAOYSA-N 453.585 4.852 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NC12CC3CC(CC(C3)C1)C2 2297554667 QANQCQPQZABLQZ-UHFFFAOYSA-N 491.476 4.735 10 10 JJCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 15051115 OZIACEZHCGTTJS-QUOFVODYSA-N 478.595 4.565 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 31660056 RVAGFQLSNDFXRK-HHHXNRCGSA-N 488.544 4.776 10 10 JJCE O=C1/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33458416 JYJODSJKEZHCNT-JXAWBTAJSA-N 465.625 4.990 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33467414 CWZYAGSNLYVTAW-UYRXBGFRSA-N 470.664 4.995 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33723725 IYSCAPSKLVKXQJ-KVDFOYERSA-N 470.664 4.993 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33781517 AELLXRLBYKWEHQ-MOSHPQCFSA-N 494.617 4.534 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 39835945 BRQJZTSGXVJDBW-LFIBNONCSA-N 457.964 4.670 10 10 JJCE C[C@@H](Oc1cccc2ccccc12)C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 39920761 RCUZJJLAMHOVIM-XHCCPWGMSA-N 480.568 4.971 10 10 JJCE CCN(c1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N)c1cccc2ccccc12 40701938 QOLJMJLGKJKTEB-UHFFFAOYSA-N 454.578 4.705 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccccc1F)S(=O)(=O)c1ccccc1 586194305 FXLJLQOYWKRIFO-UHFFFAOYSA-N 471.509 4.997 10 10 JJCE COc1ccc(N2CCCN(c3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)CC2)cc1 726967206 IPJGAHYYPCPATD-UHFFFAOYSA-N 469.376 4.823 10 10 JJCE CC[C@@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255332 VTLVFAIAUVQAMB-GDLZYMKVSA-N 487.600 4.735 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](C)[C@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866261699 BEWRCIIEZCQSCX-MNOVXSKESA-N 468.369 4.958 10 10 JJCE CCCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871109508 LDKQLUTUZADWOO-UHFFFAOYSA-N 492.601 4.688 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873166712 XIYOWAOPCPPWHE-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873169703 SUDALOJOYJEJKP-HSZRJFAPSA-N 484.644 4.867 10 10 JJCE CC(C)(C(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951690928 RHFCTSPTNQLJFO-XMMPIXPASA-N 461.514 4.658 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052171 JNBIJOXGKSBSTL-CQSZACIVSA-N 467.273 4.533 10 10 JJCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNCc2cc(Cl)cc(Br)c2O)C1 2111958479 XSDVMLUBORJEOI-CKSWESSHSA-N 451.764 4.541 10 10 JJCE CCOC(=O)c1ccc(C=C2C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2294005081 YTCUEIZCPOUVTI-UHFFFAOYSA-N 456.454 4.948 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21 2296717001 WEHFQIGMDVWKPF-LLVKDONJSA-N 453.427 4.966 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCC 2313549418 VRZYLGRPPPALHC-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O 8891455 MJOYUWWZPQDZCZ-AREMUKBSSA-N 499.489 4.875 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 20704429 NDMAIPWWWKFWPN-QNFHRHJVSA-N 453.926 4.984 10 10 JJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990342 OKXAVOMQXBVTOR-QNGOZBTKSA-N 484.691 4.963 10 10 JJCE COc1ccc(C)cc1N1C(=O)C(O)=C(c2cn(C)c3ccccc23)[C@@H]1c1ccc(O)c(O)c1 526447691 SQFSOASOSQSNLN-VWLOTQADSA-N 456.498 4.964 10 10 JJCE Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860596260 OIVIXIBZGYXKKO-UHFFFAOYSA-N 480.564 4.580 10 10 JJCE CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870927286 WMRZXGLUNGEBPM-UHFFFAOYSA-N 474.605 4.861 10 10 JJCE O=C(N[C@@]1(c2cccc(Br)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952815887 OLQXTFPEMDYNEP-CJFMBICVSA-N 494.341 4.993 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080004508 BFAFMGFGAMFLGJ-GOSISDBHSA-N 484.334 4.501 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 2293441570 PRHMTNVMIUOSRT-UHFFFAOYSA-N 492.959 4.966 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)NC1=S 2294199387 ZFRGXPPHYMIPQO-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348162 NQWCHGJDGPQBCT-UHFFFAOYSA-N 481.848 4.573 10 10 JJCE Cc1ccc(CN[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(O)c1Br 2352943448 UDJRNRHXBGNGFB-MISYRCLQSA-N 459.384 4.742 10 10 JJCE CCOC(=O)N1CCN(c2cc(NCc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9641927 ZMPJXNQLWHEKDM-UHFFFAOYSA-N 482.540 4.930 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCCC1 14460927 YTOLTDATOCRUSN-GSHUGGBRSA-N 475.408 4.766 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475935 GGEAYAAODCGXKR-AXHZCLLHSA-N 471.579 4.938 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)ccc1O 15039226 ASGDDQGXPUCEMI-ZHZULCJRSA-N 456.589 4.719 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 34848177 JZPCUWPKMREXAB-NNIWKIFQSA-N 478.643 4.923 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413154 NFTBMPSXVLGJCX-RUZDIDTESA-N 461.949 4.975 10 10 JJCE N=C1/C(=C\c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC(C(F)(F)F)=NN12 102470272 FGMBFKWDBVOHHA-VOYNMMNZSA-N 487.492 4.517 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccc(F)cc3)CC2)cc1 1870351940 XRMYSPFABUEDQB-UHFFFAOYSA-N 493.623 4.791 10 10 JJCE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 2040582404 QHQORVMTQKBEOZ-CALCHBBNSA-N 462.550 4.758 10 10 JJCE COc1ccc([C@@H](n2nc(C(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079881391 VBYYAJPKNLQODA-CQSZACIVSA-N 464.250 4.588 10 10 JJCE Cc1cc(C=C2NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294037426 CRCIWCJMQGTGDZ-UHFFFAOYSA-N 494.345 4.678 10 10 JJCE O=C1NC(=S)SC1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 2297360990 GKPXAOVSCCDUPS-UHFFFAOYSA-N 454.754 4.811 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2cccc(OC)c2OC)cc1 2313683591 HIYNDNNFGKLESA-UHFFFAOYSA-N 473.529 4.858 10 10 JJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1 2314932239 UREODANKOJIMAY-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE CC[C@@](C)(NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330474604 RWMYGYVAUFXCPS-GDLZYMKVSA-N 477.649 4.640 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1 1083901 VYROHTIGWPQNHS-MHWRWJLKSA-N 489.322 4.762 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCCC1 14460925 YTOLTDATOCRUSN-PNLZDCPESA-N 475.408 4.766 10 10 JJCE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)CC1 35519150 TXKGSQYWYAMJRS-BOPFTXTBSA-N 487.956 4.982 10 10 JJCE CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 40147325 WMJQICQZCQKKKP-PTGBLXJZSA-N 451.592 4.667 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526166253 UDZLBKMLDOAIKB-VWLOTQADSA-N 470.481 4.720 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526291199 BVTABBUNQVHNNL-XMMPIXPASA-N 477.513 4.961 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(NC(C)=O)cc2)[C@H]1c1ccc(O)c(O)c1 526335455 JMNNUUYGBGSWEJ-DEOSSOPVSA-N 490.512 4.521 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](c1ccco1)N(C)C 1705479193 JHWKQIBGGPOHMD-YADARESESA-N 456.594 4.706 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)C2CCCCC2)c1 1860504297 XSNKQOFIJUWEAH-UHFFFAOYSA-N 453.498 4.628 10 10 JJCE COc1ccc(-c2ncccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1866165785 RNNOZDHDEORNNL-SANMLTNESA-N 458.606 4.780 10 10 JJCE CO[C@@H](c1cccc2c1ccn2C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952353492 GMLWWIVNVISNBB-UIOOFZCWSA-N 470.525 4.858 10 10 JJCE C[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Cl)cc(Br)c2O)[nH]1 2138332002 RCALAMXLSICBTO-VIFPVBQESA-N 462.797 4.884 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 2293993172 RRXYQBZWTATSBM-UHFFFAOYSA-N 474.900 4.788 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2296713572 LHYJKBVHTNFAMN-UHFFFAOYSA-N 483.453 4.594 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2296882322 OWJRJINUCZBDGR-UHFFFAOYSA-N 460.650 4.665 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl 2297351291 GHIJPHMCSBKRNI-UHFFFAOYSA-N 491.887 4.802 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314768620 LJPWWLSBPGJGOA-NRFANRHFSA-N 471.600 4.990 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccccc1C(F)(F)F 2314828740 WXQJVYFVUKOVOP-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc(Br)c1O 2332107115 PEIVVGDSNGZCOK-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2367057231 RDJFEGHXBIKDAC-BHDDXSALSA-N 476.662 4.558 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 13640919 AVNVTXZNIUSYAN-SWYRRKHMSA-N 498.645 4.960 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2Cl)N3)CC1 14477010 JOPBITQMUYGSLO-HKARXFIJSA-N 478.445 4.756 10 10 JJCE Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 34729971 XPJPPMMGDXZMKD-UHFFFAOYSA-N 462.663 4.870 10 10 JJCE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 39729281 OFAQNBZFPIRJIT-XMHGGMMESA-N 464.616 4.616 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1 85649307 NICWTPKCFKCZLC-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)c1 526619733 SPDRUZCDSFHTLC-QFIPXVFZSA-N 473.403 4.590 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCCCC2)cc1 586662475 XJMXSDPRWVSSAC-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE C[C@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3CC(F)(F)F)cc2NC1=O 727977439 ZANZOMMWNOYZKU-CYBMUJFWSA-N 461.465 4.807 10 10 JJCE CCCCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OCC 1860762931 XAFRBXCKZORKNC-UHFFFAOYSA-N 460.596 4.934 10 10 JJCE COC(=O)c1c(NC(=O)c2cnc(SC)nc2O)sc(C)c1-c1ccc(Br)cc1 1866083141 MLHRHPXZSVIYSK-UHFFFAOYSA-N 494.392 4.742 10 10 JJCE CC(C)C(=O)Nc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873974899 SLUJPLRDFYGADL-UHFFFAOYSA-N 451.482 4.562 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)cc1 2294732785 QKRBHIYBTYSANR-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2324366121 OMQVMSKSYDTIKQ-UHFFFAOYSA-N 472.500 4.872 10 10 JJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071358 DHWMBGRZPZNBEO-HFZDXXHNSA-N 462.502 4.669 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1O 20690019 OTMRBJRGZHHTKU-LOYIFYEOSA-N 476.598 4.748 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NCc3ccco3)nc12 33315771 QTSATHMGTJPCNV-DEDYPNTBSA-N 488.594 4.609 10 10 JJCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c1C 33447350 RWWKLMYFWHBCRS-GRSHGNNSSA-N 494.504 4.822 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33467409 UOWVOBQJAOULDG-QGOAFFKASA-N 456.637 4.749 10 10 JJCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1Cl 39793928 PSZKIYWDIHYHKW-NVNXTCNLSA-N 483.796 4.609 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCCC(C)C 40938606 LMGWEENFJJYDID-XMHGGMMESA-N 451.610 4.665 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1 96458268 GCSSEZJEQIGVKI-VMGUOVNQSA-N 493.545 4.992 10 10 JJCE COc1ccc(CC2=NN3C(=N)/C(=C\c4c(C)[nH]c5ccc(C)cc45)C(=O)N=C3S2)cc1OC 102640974 VRSHRPDBFAJNJN-LEHBZZPOSA-N 473.558 4.664 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](c4cccnc4)Oc4ccc(Br)cc4[C@H]3C2)c1 245296711 OVUICZAXHUSKLW-KNQAVFIVSA-N 452.308 4.801 10 10 JJCE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 253564599 GRSXLNWLIOFHTM-UHFFFAOYSA-N 498.608 4.779 10 10 JJCE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 382655109 IKPXLOOFQBCSGD-FQEVSTJZSA-N 450.627 4.663 10 10 JJCE COc1ccc(C)cc1N1C(=O)C(O)=C(c2cn(C)c3ccccc23)[C@H]1c1ccc(O)c(O)c1 526447686 SQFSOASOSQSNLN-RUZDIDTESA-N 456.498 4.964 10 10 JJCE COc1ccc(C(=O)OC[C@@H]2O[C@H](Sc3ccc(Cl)cc3)[C@@H](N=[N+]=[N-])[C@H](OC)[C@@H]2OC)cc1 575449062 NFRJPKMYWLHCHI-SXFAUFNYSA-N 493.969 4.732 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5nc[nH]c5c4)c4ccccc34)[C@H]21 1860344985 LQAHVXWDNXLISM-NDEPHWFRSA-N 490.567 4.693 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869157448 ANKZBOLJFHCGQH-JOCHJYFZSA-N 487.648 4.791 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccc(Br)c(C)c4)ncc3[N+](=O)[O-])CC2)cc1 1871305642 SXFXDBXOGJGCPO-UHFFFAOYSA-N 499.369 4.535 10 10 JJCE CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)CCC(=O)O)[C@@H]3c2ccc(N(C)C)cc2)cc1 2042453372 FWVCPSHQUCTEGN-UFHPHHKVSA-N 474.605 4.806 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080042419 HKFCBBIVVZTWDE-SFHVURJKSA-N 463.372 4.978 10 10 JJCE COc1ccc(O)c([C@@H]2N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]3C[C@]23C(=O)O)c1 2308893149 XLFNCYZGODBNLT-XIPSWSLHSA-N 471.509 4.798 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 2321734462 FVHHXHWSVNAGPD-UHFFFAOYSA-N 453.633 4.775 10 10 JJCE [O-][N+](=Nc1cccc(I)c1)c1cccc(I)c1 2333177038 GRWXCTMEYYYJQZ-UHFFFAOYSA-N 450.017 4.822 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NC2Cc3ccccc3C2)cc1 21345138 XBBAXDDJAGLNHW-JWGURIENSA-N 466.566 4.697 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c(C)c1 33591210 SJXYYHSDGOTHGW-XQNSMLJCSA-N 474.586 4.549 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3c(OC)ccc4cc(Br)ccc34)CC2)cc1 35550651 GORDTWIQQKHSHN-UHFFFAOYSA-N 469.379 4.511 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 96462413 DCCJKNQWYPVDED-GZTJUZNOSA-N 466.837 4.554 10 10 JJCE N=C1/C(=C\c2ccc(O)c(Br)c2)C(=O)N=C2SN=C(SCc3ccccc3)N12 96483109 PTOACUDBFYCCJW-KBFOAYOGSA-N 473.377 4.665 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 102863526 CCWOZRFXYXLCLB-FOWTUZBSSA-N 457.964 4.751 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526617383 SZUKMEDZJUHNRH-HSZRJFAPSA-N 487.430 4.980 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1O 1653761033 BYQBAXNPIQDOPL-MGPUTAFESA-N 452.776 4.956 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3c(C)nc4ccccn34)SC2=S)cc1OCC 1858589413 PNASQSKAKHYGAB-RCCKNPSSSA-N 467.616 4.884 10 10 JJCE CCOC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)cc1 1860747433 IUMNBGOBWTWUTN-UHFFFAOYSA-N 480.542 4.654 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c3c(nc4ccc(F)cc24)CCC3)N2CCCCC2)cc1 1866272673 NRXNOPNETIRDRX-SANMLTNESA-N 460.597 4.886 10 10 JJCE CN(C)c1ccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)cc1 1927497863 FZJZMNKKAANETL-SHQCIBLASA-N 462.521 4.929 10 10 JJCE CCN[C@@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2163128031 RYGKIJYBYSQBIU-VWLOTQADSA-N 466.670 4.963 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2196849418 PQEJFAKPSUBYSP-RXFWQSSRSA-N 476.662 4.510 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2296545495 WBAPYCLBGWDQQP-SFHVURJKSA-N 469.584 4.603 10 10 JJCE CC(=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccccc2)CC1 2296970542 SLMIUFOXUJGIJB-UHFFFAOYSA-N 471.508 4.657 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)cc1 2297352585 CZSZZMKUXNCHQK-UHFFFAOYSA-N 489.601 4.515 10 10 JJCE CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 2313560702 CXLOLAPZKLKMMT-UHFFFAOYSA-N 479.286 4.578 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NC3CCCCC3)nc12 2314413687 DZDBCBBWRTWMNO-UHFFFAOYSA-N 480.615 4.742 10 10 JJCE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414269 UWBWTPQNFMVJLD-UHFFFAOYSA-N 485.034 4.961 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 2314539586 WKWYSZDFNZJCGN-UHFFFAOYSA-N 496.478 4.657 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831712 QIAJFTORZJIJPJ-UHFFFAOYSA-N 471.560 4.701 10 10 JJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323829818 YSOYFHFOHQEESA-BTYIYWSLSA-N 471.600 4.975 10 10 JJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194123 NSJDWQFKAAJMHG-MHZLTWQESA-N 486.568 4.546 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 14475670 VPXPDMLFLDXHQE-LZCXECNNSA-N 491.569 4.648 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 14550838 RSRHPEKQPRDZMO-HWBMXIPRSA-N 461.543 4.900 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15047139 GCUAPUYLSCEWFH-VXRKGKCKSA-N 466.584 4.648 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(c3ccccc3)CC2)cc1 16914172 ICSMNOQRZKRZJH-VWLOTQADSA-N 481.015 4.838 10 10 JJCE C[C@@H](Oc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 33389294 GVRBVSBMIHAPDG-JGQVAIFDSA-N 453.527 4.889 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccccc3)C2=O)cc1Cl 33643369 XUHDGRAAVVOZKB-XMHGGMMESA-N 465.893 4.736 10 10 JJCE Cc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 34683959 FWMGCKSTMVXSAO-UHFFFAOYSA-N 454.567 4.700 10 10 JJCE COc1ccc([C@H]2CN(Cc3ccc(OC)cc3O)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 34699373 ILVAQNHNQBAJHN-UFHPHHKVSA-N 492.591 4.813 10 10 JJCE O=C1/C(=C\c2cc(Cl)c(O)c(Br)c2)C(O)=NC(=S)N1c1ccc(F)cc1 96484082 JJORFEYUKRBQQL-WZUFQYTHSA-N 455.692 4.619 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2 226727285 PXNVTORGQHRGAU-ZOCZFRKYSA-N 463.397 4.670 10 10 JJCE CC(/C=C1\SC(=S)N(CCCCCC(=O)Nc2nncs2)C1=O)=C\c1ccccc1 606618916 XYCZGLZFQCNWMD-GXDIDPINSA-N 458.634 4.885 10 10 JJCE CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1300959348 PZDKYLQOUODMOQ-UHFFFAOYSA-N 454.368 4.769 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cc(F)c(F)c(F)c4)c4ccccc34)[C@@H]21 1860347365 LYMFKYCHFOWLRD-AREMUKBSSA-N 490.485 4.844 10 10 JJCE CC[C@@](C)(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862148368 RWMYGYVAUFXCPS-SITIXWHRSA-N 477.649 4.640 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866207652 CAUJTYIRPJYHHS-UHFFFAOYSA-N 457.573 4.783 10 10 JJCE COc1ccc(OC)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871287897 ZRWOIDBLAKXIFW-SRZZPIQSSA-N 486.615 4.579 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419437 FJCSCANLDZHDKJ-OAQYLSRUSA-N 477.511 4.743 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4cc(C)ccc4C)c3)CC2)cc1 1874731640 SQALJTPVDYAQNO-UHFFFAOYSA-N 486.612 4.855 10 10 JJCE COc1ccc(O)c([C@@H](C)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1942704101 MCYYSAPEHMCOAP-GOSISDBHSA-N 462.546 4.912 10 10 JJCE CCc1c(C2CCC2)nn(Cc2c(O)cccc2Br)c1I 2079835612 JCJKJQGHXSYBSI-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080003191 JHWWEKXDFXUVBW-KRWDZBQOSA-N 453.368 4.566 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cc1I 2124511865 HXUCHEWXPLUFTF-LBPRGKRZSA-N 471.299 4.553 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2296052872 JNEXRCNAERBGFK-UHFFFAOYSA-N 483.553 4.645 10 10 JJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296347474 AUUDDWVZDAEEDM-UHFFFAOYSA-N 471.557 4.610 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 2297358161 FZHUBMGLNQNEAB-IBGZPJMESA-N 470.525 4.887 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NCc2cc(Cl)cc(Br)c2O)C1 2336507741 FXGNZXUMUVBTQK-MRXNPFEDSA-N 455.727 4.542 10 10 JJCE Cc1ccc(CNc2cc(F)c(F)cc2I)c(O)c1Br 2380802732 FNKXSSWRSWYWHK-UHFFFAOYSA-N 454.052 4.958 10 10 JJCE CCn1c(SCC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1ccco1 9094335 NEAYITFMWVIBQM-UHFFFAOYSA-N 482.537 4.623 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21 14478037 YNHQZLFRQWIPIO-AXHZCLLHSA-N 453.564 4.986 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 39793820 DUMKZLJKWOBHTB-MFOYZWKCSA-N 482.505 4.563 10 10 JJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 72413063 NZCZPWXAJHDSRA-VWLOTQADSA-N 471.557 4.721 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 102585522 TXEQSIWKHWCPKZ-HKGULWOWSA-N 469.788 4.690 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526188249 PDXGOUZIADCBJP-QHCPKHFHSA-N 463.486 4.571 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526327214 DYPNPOLPKHPFOY-RUZDIDTESA-N 493.512 4.580 10 10 JJCE Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1NS(C)(=O)=O 920761298 GAIFEOVACHGMMP-JOCHJYFZSA-N 477.546 4.526 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccc(F)cc1 1860652575 OGPQWEVWWQLECZ-IBGZPJMESA-N 495.576 4.925 10 10 JJCE CCC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145091 SYPWNIKDWCYQIG-JHKHSNKQSA-N 490.431 4.649 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(Cl)ccc4OC)cc3)CC2)cc1 1872883986 GHOSAPFFUDVVQJ-UHFFFAOYSA-N 465.981 4.932 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079985810 PJGJWPIHGVFVEH-LJQANCHMSA-N 480.346 4.864 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 2297347600 LWOHNVUVJLAEMX-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297554521 CGPJUWOJQDCFTB-GOSISDBHSA-N 474.648 4.968 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 2313621330 FSUVJBKMTTVPJG-UHFFFAOYSA-N 454.573 4.627 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1nc2ccc(F)cc2s1 2314563117 BZUCVJMITBTDHI-UHFFFAOYSA-N 461.540 4.805 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 2314765070 SZXISVPIFHCIDZ-UHFFFAOYSA-N 462.980 4.682 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 2314767917 IXFYIGQVIOJWKX-UHFFFAOYSA-N 465.955 4.822 10 10 JJCE CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1OC 2332124574 QPUISQJPYSFKCP-UHFFFAOYSA-N 458.514 4.946 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459053 PEQOAMGXRPCSDI-DFIYOIEZSA-N 454.592 4.648 10 10 JJCE CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)ccc21 20731039 YARXSBVTGRRCLP-UHFFFAOYSA-N 450.627 4.606 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)N([C@@H](C)c4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475536 SKDGLMOSAZWVKE-BXUJETTOSA-N 461.430 4.927 10 10 JJCE Cc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 102856323 DYFZLGQPZZIWPH-SRWDJDROSA-N 465.596 4.994 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)Nc1ccc(O)cc1 210674807 DAEIDNVUALTJLQ-HYARGMPZSA-N 476.579 4.811 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OCC)[C@@H]1c1ccc(O)c(O)c1 526188940 PGBGOMWJFUYBDL-DEOSSOPVSA-N 477.513 4.961 10 10 JJCE Oc1c(F)cc(Br)cc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 715719145 BGAONJLRVOIFAY-UHFFFAOYSA-N 485.397 4.855 10 10 JJCE CCOc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347196 BHKHDKZXVDFINE-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE O=C(Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1)NC1CCCCC1 1860509018 NKPPXWUSPKCZHC-UHFFFAOYSA-N 468.513 4.564 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2nc(C)c(C)s2)sc(C)c1-c1ccc(C)c(C)c1 1860768255 YKOHZKXOJCQCEO-UHFFFAOYSA-N 457.577 4.778 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018929 DPXWEMCHMFHPQC-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE C[C@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C(C)(C)C)n1 1868340274 APVRSDKXKLLPCB-INIZCTEOSA-N 456.546 4.518 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873163959 FGPDZULAHIGMKH-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE Cc1ccc(C)c(CN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873170708 MVBDSABMBDXBHK-UHFFFAOYSA-N 496.655 4.675 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)[C@H](C)c4ccccc4)c3)CC2)cc1 1874737520 COBDSKHUXUCKHA-JOCHJYFZSA-N 472.585 4.799 10 10 JJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 2293476766 LCMFTJOFMBLVKX-UHFFFAOYSA-N 498.564 4.843 10 10 JJCE CCOC(=O)[C@@H]1CCCN(C2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)S2)C1 2294407137 YYYJRPMPZDBSKY-HXUWFJFHSA-N 480.586 4.520 10 10 JJCE CC(C)C1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 2297307153 IZTRJECUJRDMMZ-UHFFFAOYSA-N 488.323 4.892 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2314831147 DLDWXRJLLVUPQJ-UHFFFAOYSA-N 456.589 4.714 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3ccccc3F)N=C2C)cc1OC 2332139200 GJYNNVDCIKTQLI-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 2509096 FYBSGPPVGWKWAY-ISLYRVAYSA-N 473.417 4.896 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2nc3ccccc3s2)C1=O 2986432 SOQIUYXBJNNSAF-SFQUDFHCSA-N 455.586 4.535 10 10 JJCE CCN1CCCc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)ccc21 9229011 CAJYETHOZXRHDR-UHFFFAOYSA-N 481.662 4.867 10 10 JJCE COc1cccc(O)c1CN1CCC([C@H](Cc2ccccc2F)N(C)Cc2cn(C)nc2C)CC1 15003686 DAUBNEQGLARUFQ-SANMLTNESA-N 480.628 4.537 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33383658 INYVQNWPLNOJQV-PBEQFFAXSA-N 476.627 4.647 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 34889701 CPFDKPKKXBMADA-JPOGYNCRSA-N 490.654 4.565 10 10 JJCE CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)c1ccccc1F 37403571 GPXSPMHQPXANLG-SFHVURJKSA-N 464.603 4.841 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)sc2c1 39875061 PMEFLCBYKIPVCR-ZDLGFXPLSA-N 469.613 4.843 10 10 JJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990344 ZUOZWGKXUVTFLA-ZHTGWBIJSA-N 472.680 4.819 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 47133646 FWCAYFIBOBNNFT-RGEXLXHISA-N 478.599 4.974 10 10 JJCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 96460907 TYZAEAIQIPFOBT-JGJJTGRPSA-N 497.385 4.653 10 10 JJCE Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 100115474 UEKIDESQNCPFIP-UYRXBGFRSA-N 476.627 4.632 10 10 JJCE Cc1ccc(-c2nnc3sc(CCCN4C(=O)/C(=C\c5ccccc5)SC4=S)nn23)cc1 102429407 DGXXPYWUTPCGJU-NBVRZTHBSA-N 477.640 4.995 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)c(C)c1 207314601 SAAQSTYPJHAAQS-XMHGGMMESA-N 494.598 4.674 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526160604 NSZYLKHYNSBDPF-XMMPIXPASA-N 495.915 4.978 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526286128 HWCXGQNDUFGGSF-QFIPXVFZSA-N 493.903 4.702 10 10 JJCE CC(=O)N1CCCCCCCN(Cc2cccc(F)c2)Cc2cc(N3CCOCC3)ccc21 643563501 XMUNPSHMADEREN-UHFFFAOYSA-N 453.602 4.982 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C45CC6CC(CC(C6)C4)C5)n4ccccc34)CC2)cc1 1858342339 WCDULSVKTKNGPS-UHFFFAOYSA-N 470.617 4.773 10 10 JJCE CCc1sc(NC(=O)C(=O)Nc2nccs2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860765124 JGBYKJRYVNKLST-UHFFFAOYSA-N 494.392 4.560 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)N[C@H](C)c4ccc(OC)c(OC)c4)cc3)CC2)cc1 1872884514 WLMFAZQILYLEKA-OAQYLSRUSA-N 489.616 4.526 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421281 PKCIBRKMKYNMJL-UHFFFAOYSA-N 456.590 4.546 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2053525527 FMUPWRJIGYWCQA-UHFFFAOYSA-N 460.515 4.647 10 10 JJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296766392 HTMPYWKJWQZFRN-UHFFFAOYSA-N 455.514 4.660 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(F)c1 2313559999 FMMAHAXVQIAETF-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1 2313631433 MWRONXKVCIEFDJ-UHFFFAOYSA-N 487.556 4.523 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)NCc1ccccc1 2314832063 YVOYZWRYESWXDM-UHFFFAOYSA-N 475.433 4.747 10 10 JJCE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2980487 WIRYCAAJYDIVTH-HEHNFIMWSA-N 490.654 4.883 10 10 JJCE O=C(CCc1nc(-c2ccncc2)no1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 14348745 CSWJMHJGHNVTLC-SANMLTNESA-N 450.498 4.829 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14461304 BHSFQANEFHCRNR-DRSNIGMVSA-N 457.368 4.748 10 10 JJCE COCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 39836071 WECNXRRVXFZVAL-XSFVSMFZSA-N 495.626 4.650 10 10 JJCE CC1CCN(c2ccc(CNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2)CC1 731016234 HOGQXAXSQCAWMR-UHFFFAOYSA-N 462.638 4.503 10 10 JJCE CCCc1cc(=O)oc2c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 1614472985 ZACLMVXAZADIAF-QPPBQGQZSA-N 456.627 4.554 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 1858592017 GJBMZWBWMIHSKY-INQNZLQJSA-N 454.356 4.596 10 10 JJCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)cc1 1859574298 VSNSBOQEHFORSU-UHFFFAOYSA-N 471.604 4.572 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(OCC)cc1 1860762302 BANALBWAVFXURD-KXBFYZLASA-N 472.607 4.932 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865031663 LOYYEVGXIQVXOS-QFIPXVFZSA-N 490.604 4.715 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969381 BBWSFWWVKRXMEB-JOCHJYFZSA-N 496.615 4.653 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873169599 QTSLJAGVJLCOPW-UHFFFAOYSA-N 498.671 4.922 10 10 JJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(Br)c(F)cc1F 1891755589 USSXNJFZOVPSDH-UHFFFAOYSA-N 467.263 4.930 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])cc1I 2124511864 HXUCHEWXPLUFTF-GFCCVEGCSA-N 471.299 4.553 10 10 JJCE CCc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 2293606150 UDEDCNXSRWJLAF-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 2294199344 VIERZYUAGWXTOL-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1 2296065487 KXNLURYIAKMPGO-UHFFFAOYSA-N 483.553 4.727 10 10 JJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 2297499616 PVFJTRARZQZCMZ-UHFFFAOYSA-N 474.409 4.796 10 10 JJCE COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313547974 HUCSYHZDXHYTEG-UHFFFAOYSA-N 479.330 4.894 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 2313682911 NQPFAFMYIGVDCU-UHFFFAOYSA-N 474.492 4.600 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 2314828748 XAFARHQMJCCSGA-UHFFFAOYSA-N 481.368 4.524 10 10 JJCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2314928843 CLOZGQZNDRJMHC-NSHDSACASA-N 464.362 4.707 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 39793811 OYUBDMJCBHSUOB-YVLHZVERSA-N 482.505 4.563 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21 39983442 WEHFQIGMDVWKPF-RJLNKPMYSA-N 453.427 4.966 10 10 JJCE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989576 IOBJGTYJKNSRMI-KTPAIHBBSA-N 484.691 4.582 10 10 JJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 40942133 CHDVILIGVIPEOM-LICLKQGHSA-N 450.379 4.916 10 10 JJCE CN1/C(=C/c2cc3[n+](cn2)C(=O)[C@H]([C@@H]2Sc4ccccc4N2C)S3)Sc2ccccc21 138583337 ADHBJYBYDYEKCD-GGAORHGYSA-N 463.633 4.592 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 213175809 UHMVXPPZLPJMKJ-UYRXBGFRSA-N 475.551 4.790 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526154197 WIIUHFYBKZZERU-NRFANRHFSA-N 471.868 4.965 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526478505 UPRGDKWCPZCOFK-RUZDIDTESA-N 472.541 4.995 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)ccc1O 1858594349 VTKAVZFFRLOTFF-OMNSNBSWSA-N 454.617 4.829 10 10 JJCE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl 1859478382 TUEXLAVXFOSKMN-UHFFFAOYSA-N 474.745 4.935 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(Br)cn2)sc(C)c1-c1ccc(C)cc1 1860750873 XHZNAMTUJLXULK-UHFFFAOYSA-N 488.363 4.553 10 10 JJCE CCc1sc(NC(=O)CC(=O)C(F)(F)F)c(C(=O)OC)c1-c1ccc(Br)cc1 1866058573 NOYHZIZCPSTDGY-UHFFFAOYSA-N 478.286 4.987 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 1871342704 ABDHGHFDFJUOJI-UHFFFAOYSA-N 474.604 4.576 10 10 JJCE O=C(Nc1cc(Br)c(Br)c(Br)c1)c1cccc(O)c1O 1963579268 DSIUNJOCSVUZPP-UHFFFAOYSA-N 465.923 4.638 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)cc1C 2080011747 FLDQOEMJOYILGP-GOSISDBHSA-N 468.379 4.989 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080052664 BSQRLOZARVNXPC-OAHLLOKOSA-N 480.268 4.711 10 10 JJCE CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2)c1 2293606187 CMSOAKMWAYQXNX-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Br)cc1 2293674613 ZZDAOGBJMYFMEJ-UHFFFAOYSA-N 484.375 4.992 10 10 JJCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 2297365078 LWEPCGGMLSRVMR-UHFFFAOYSA-N 484.965 4.754 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)NCc1ccccc1 15045277 RBTJZJUYUYPZCA-HKWRFOASSA-N 469.588 4.673 10 10 JJCE CCN1CCN(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 33031572 IGLKBVYNDOVMPW-UHFFFAOYSA-N 470.661 4.781 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4cccc(C)c4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39844645 HUNRGQUKSOWAJM-UHFFFAOYSA-N 489.597 4.818 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCc2ccccc2)SC1=S 40066749 NZZUSIIENXSFTF-MOSHPQCFSA-N 466.632 4.662 10 10 JJCE CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(N(C)C)cc1 54641787 RMSPJXZDSPSZKX-OAQYLSRUSA-N 467.570 4.628 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)n1 103985177 SYBRAXQQUDMXMT-IDUDEYGOSA-N 477.528 4.519 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526406182 GIUCAYMPMVIOCL-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O 1772759383 GTTYXBORWFERTG-LDKXMGCTSA-N 452.557 4.560 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(F)cc1 1860345024 NYYISSRCVCABCB-UHFFFAOYSA-N 452.489 4.742 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccc(C)cc1 1860652533 NKXXWWDHJJNWSJ-FQEVSTJZSA-N 477.586 4.704 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)sc(C)c1-c1ccc(C)c(C)c1 1860748833 NWIIVGDYHBCSHY-UHFFFAOYSA-N 481.530 4.921 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c1 1873423935 VLPZSEPHDQECAP-UHFFFAOYSA-N 495.583 4.582 10 10 JJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079959971 ZUBPUDCKZQGTJO-KRWDZBQOSA-N 470.351 4.795 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-] 2294093791 QASBDONAYVWLNP-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE COC(=O)c1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 2297332001 ZXXQMEORGHJLAC-UHFFFAOYSA-N 496.654 4.892 10 10 JJCE CCOc1c(I)cc(C=C2SC(=S)N(CC(C)C)C2=O)cc1OC 2297363530 HVFRNHBEYUNILF-UHFFFAOYSA-N 477.389 4.556 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2314413819 INWDKCACZJQOHR-QGZVFWFLSA-N 478.643 4.657 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)SC1=S 2314507433 JWBYOQKIIHJMPL-UHFFFAOYSA-N 465.600 4.969 10 10 JJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314754774 BFCVDZRAZLDCGM-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1Br 2314764904 OSTPLIXVQZLUQJ-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 2314817699 VNMGXTWIJIFKAP-UHFFFAOYSA-N 496.639 4.907 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 2314817703 WGCHWICWMQBCAY-UHFFFAOYSA-N 482.612 4.517 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)ccc1O 2314831624 OSAGBTATMDUCNS-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c(C(=O)O)c1OC 2314929769 RKPZNTSQVFUYSL-UHFFFAOYSA-N 480.361 4.570 10 10 JJCE COc1cccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1OC 2323879561 FJPDUWXDGLGFEI-UHFFFAOYSA-N 454.617 4.570 10 10 JJCE COc1cc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)ccc1OCCC(=O)O 16912313 KJCRQVCKWBJIBY-MHWRWJLKSA-N 467.330 4.938 10 10 JJCE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 33379265 VRPOTXVBVBHOKM-ZQCYNNBZSA-N 478.574 4.799 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 33672311 CTBQIZYFTVBKHZ-PDGQHHTCSA-N 469.375 4.867 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 33910661 OREUHRZVDCBBFO-HUCUOGIVSA-N 464.616 4.725 10 10 JJCE COCCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39836048 XETDRDDPWYVMIE-XSFVSMFZSA-N 495.626 4.650 10 10 JJCE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990454 MXQLWIGMOUWVIR-SJJRUYGKSA-N 486.707 4.922 10 10 JJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 40937891 QWUXNFLWLDJWFX-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(Cl)c1OC 59198398 DNHWUCWHGDMHDR-MLPAPPSSSA-N 465.687 4.626 10 10 JJCE O=C(Oc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 83306140 KSCSVSNGVQMGLE-LPGQDOADSA-N 459.976 4.939 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)c2C)cc1 209249379 ZAYXOKTXKZBDGF-KAMYIIQDSA-N 476.602 4.525 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)ccc1O 210711383 GJBKEWNBHQWMJE-XSFVSMFZSA-N 456.589 4.719 10 10 JJCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210726346 VCZQEXDAOZXBNY-RCCKNPSSSA-N 478.595 4.565 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(Cc5ccccc5)C[C@]4(C)C3)ccc(N)c2C1 702105327 CQDXNQNVZJSGNO-LYZGTLIUSA-N 462.638 4.520 10 10 JJCE CC(C)[C@H](NC(=O)c1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H](CO)Cc1ccccc1 1078372667 GNLTZFKMEYLKQH-DQEYMECFSA-N 458.562 4.576 10 10 JJCE C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cnn(C)c2)n1CCCSc1nccs1 1595914842 ZPSDUVHQSPANLO-JXAWBTAJSA-N 465.652 4.857 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)CC1 1596091985 OSCQTNMTXSZBHP-UHFFFAOYSA-N 480.682 4.553 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1859466395 WJXOTAJQMKKQLG-UHFFFAOYSA-N 478.504 4.643 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccc(C)c(C)c1 1860646005 JCUMVKZYLGIPEF-LJQANCHMSA-N 456.608 4.960 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)c1 1860842006 KCHKVLKMEQCJBW-UHFFFAOYSA-N 456.590 4.856 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329889 SEVGJFMDXYNILJ-KAYWLYCHSA-N 478.681 4.693 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868687806 IOAFBWOVFZYQHX-OFSOJUDTSA-N 491.676 4.829 10 10 JJCE CCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871499195 JTJQEJANKXPTTL-UHFFFAOYSA-N 489.668 4.927 10 10 JJCE CCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167754 WEWNGVUTBBUYCP-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2053513309 MIHVRSCYJLGIPN-HXUWFJFHSA-N 496.522 4.891 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 2294133910 MFWJJJXAMGRIEQ-UHFFFAOYSA-N 456.498 4.557 10 10 JJCE CC(NCCc1cnc[nH]1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(Cl)cc1 2294317164 DFJWEYYNMWEJMR-UHFFFAOYSA-N 462.966 4.530 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3OS(C)(=O)=O)SC2=S)cc1 2297356959 AZIPDKNEGBDNOR-UHFFFAOYSA-N 484.418 4.502 10 10 JJCE CCOc1ccc(C=C2SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 2297468186 AKEFVEWFJATCSY-UHFFFAOYSA-N 461.509 4.897 10 10 JJCE Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1 2297499532 KQTNOYMCMPHZGB-UHFFFAOYSA-N 493.614 4.761 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 2314760422 JTJZKNZULFGIMZ-UHFFFAOYSA-N 474.648 4.918 10 10 JJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(CCCCCCCCCC(=O)O)C1=O)C(=O)O 2314926371 HUCXZZZYCUQESK-MRXNPFEDSA-N 479.620 4.945 10 10 JJCE CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 2110656 WIWMACOIHUNZNJ-TWJOJJKGSA-N 477.516 4.634 10 10 JJCE biogenic COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1 26780384 XBUNAGIADQCVCV-DEOSSOPVSA-N 454.655 4.971 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OC(C)C 40940694 LRPXQRWVLWPPBV-MOSHPQCFSA-N 456.589 4.727 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 47133169 SAAQSTYPJHAAQS-RGEXLXHISA-N 494.598 4.674 10 10 JJCE COc1cc(NS(=O)(=O)c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)nc(OC)n1 58899928 PUXYVJHJVBPHEX-OCEACIFDSA-N 465.491 4.569 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 102996761 CPTZPSZSLGYIKE-LVLBFHFTSA-N 455.536 4.626 10 10 JJCE O=C(/C=C\c1ccc(Br)s1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 207708030 ZNFHAQRLOQAVDL-XQRVVYSFSA-N 475.330 4.696 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2c1 208280120 UMXVKPSTNHJZLP-RCCKNPSSSA-N 453.633 4.914 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526369014 SMFTXLIFRKCIQS-QHCPKHFHSA-N 496.947 4.892 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 1858589967 RGMNQMUTAOQKHY-PXLXIMEGSA-N 473.616 4.945 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccccc1 1860658148 SBUUQNMDJIOFKJ-LJQANCHMSA-N 469.607 4.767 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(Cl)cc1 1860758468 HWOKZEKKOUARHF-UHFFFAOYSA-N 486.977 4.557 10 10 JJCE COC(=O)c1c(NC(=O)CCc2cnc(OC)nc2)sc(C)c1-c1ccc(Br)cc1 1866151026 IAGKMDIERKDROE-UHFFFAOYSA-N 490.379 4.643 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866683089 UFGVNOOGZINRRH-GVJQPLCZSA-N 466.537 4.571 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868701978 LFSMENRABCCDKC-DEOSSOPVSA-N 486.056 4.722 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)SC1=S 1871287578 QNVMDCIBNXSOJQ-VCHYOVAHSA-N 462.543 4.840 10 10 JJCE Cc1ccc(C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421342 SAVWOLWMKKDTFK-UHFFFAOYSA-N 470.617 4.855 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)CC2)cc1 1874746489 RPXLNHYYCZYBNE-UHFFFAOYSA-N 472.585 4.926 10 10 JJCE CN1CCc2cc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](F)C(=O)O)ccc21 1927493658 QXJZTJGDLVEOLK-LOSJGSFVSA-N 460.505 4.681 10 10 JJCE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1963190711 NEGVFLFHUICALK-XRHLQHRESA-N 488.584 4.710 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2080038337 QQKRNXOLFGKRRM-JTQLQIEISA-N 468.213 4.527 10 10 JJCE CC(C)N1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296714401 VXFPEBDIBULCSX-UHFFFAOYSA-N 473.417 4.976 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N1CCN(c2ccccc2)CC1 2296755507 FZAYLQHTEKMBDC-UHFFFAOYSA-N 486.062 4.670 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)c1ccc(Cl)cc1 2297219752 PPXJEWLVKOPPFJ-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1 2297500245 VCFJRYQLIPUROH-UHFFFAOYSA-N 470.525 4.893 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3cccc(Br)c3)C2=O)c1 2313501858 CEIVMYLFPPGABK-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE CC[C@@H](C)OC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945428 RHYYKQRHKSGEGW-CABCVRRESA-N 474.604 4.610 10 10 JJCE CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O 8644254 AXSQGBZHBCJUQF-AREMUKBSSA-N 481.499 4.736 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15046402 AEXRGVNBNBXQKD-OKHBPPCESA-N 452.479 4.639 10 10 JJCE Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 102472612 BOFZXBUBMBWURX-FJVWWGQZSA-N 497.580 4.824 10 10 JJCE CN(C)N=Nc1ccc(S(=O)(=O)N(C(=O)/C=C\c2ccccc2)C(=O)/C=C\c2ccccc2)cc1 263625525 PRBZBDMKTXSLLA-HZHZCSTISA-N 488.569 4.718 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526146111 ZFDBFJTWPGODFQ-DEOSSOPVSA-N 460.530 4.836 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 586214438 DHHBIUMSLUYWRJ-UHFFFAOYSA-N 463.555 4.691 10 10 JJCE Cc1cc(CCNC(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)c(C)n1-c1ccccc1 726157473 MIMYKWYUSMVODJ-NRFANRHFSA-N 476.646 4.565 10 10 JJCE O=C(c1ccccc1)c1ccc(O)c(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 728197124 RHVFFWUFCGZATD-XMMPIXPASA-N 476.960 4.930 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccc(Cl)cc1 1860344931 ILLWYLHYLPOOAE-UHFFFAOYSA-N 482.971 4.934 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc5ccn(C)c5c4)c4ccccc34)[C@@H]21 1860347360 LBRLKXHFSQNKAA-GDLZYMKVSA-N 489.579 4.919 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc(C)c1-c1ccccc1 1866023695 AYQROUQBJDIHIG-UHFFFAOYSA-N 456.476 4.688 10 10 JJCE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)=N2)cc1 1871281297 IOLCKRNDEHSAPE-UHFFFAOYSA-N 483.546 4.637 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)ccc2O)C1 1952448598 MFAMTAGBLQSKBM-GYCJOSAFSA-N 459.498 4.885 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2078980924 JMBROSQIAMBTQH-GOSISDBHSA-N 468.335 4.801 10 10 JJCE Oc1ccc(CNc2cc(Br)c(Br)c(Br)c2)cc1O 2095449156 DERZRXXWAGYLLP-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE CCCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N(C)C)cc1 2106850169 FUORMPROGFEJEW-RUZDIDTESA-N 454.659 4.820 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c(OC)c1 2297470698 VRQIMIJBVCSWBT-UHFFFAOYSA-N 485.569 4.779 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 2297560349 CTRUDERMAQFRDL-UHFFFAOYSA-N 462.141 4.837 10 10 JJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccccc1OCc1cccc2ccccc12 2313556990 QBMGJYAJUNEBIO-UHFFFAOYSA-N 492.487 4.814 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2314504488 VKQIOJWCHWFJIE-UHFFFAOYSA-N 457.964 4.751 10 10 JJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836907 LPMDCMKJXQLMEM-LBPRGKRZSA-N 477.405 4.692 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(O)=NC2=S)cc1 13080547 LAOPXSSQMMIBIX-UNOMPAQXSA-N 460.471 4.762 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 15039932 NLCGYUJDFMEPGG-RGEXLXHISA-N 472.563 4.623 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCCC(=O)O 16911925 GMGGLHFFWVZNND-RQZCQDPDSA-N 467.927 4.747 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccccc4C)c4ccccc4n3)CC2)cc1 25142218 UNXPZZXJBLRWCB-UHFFFAOYSA-N 466.585 4.808 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 34736631 XTLYXTNGRNVAEK-DEDYPNTBSA-N 478.643 4.925 10 10 JJCE O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 170551579 LDUYLEVSGUDTSI-UHFFFAOYSA-N 495.607 4.511 10 10 JJCE CCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1860758237 HLNCNENPSWEZSA-UHFFFAOYSA-N 467.385 4.518 10 10 JJCE CCc1sc(NC(=O)c2cc[nH]c(=N)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866098640 YNYRWDCQZVWTAM-UHFFFAOYSA-N 460.353 4.586 10 10 JJCE Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1 1866294159 VABNEFDJWSBLIB-HSZRJFAPSA-N 461.606 4.741 10 10 JJCE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc(OC)c1 1873424445 PSDXOXBTOILHHQ-UHFFFAOYSA-N 473.573 4.959 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2079998684 BNODLIBBGGOPJB-CQSZACIVSA-N 472.323 4.501 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccccc3OC)C(=O)N=C2S1 2296741766 TWNRHBUPFJACEE-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccccc2Cl)SC1=S)c1ccc(Br)cc1 2296879789 BYYIQHWVIXRSQP-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3cc([N+](=O)[O-])ccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 2297307179 WYGOGUQNBXAVQL-UHFFFAOYSA-N 493.545 4.780 10 10 JJCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 2297352792 XBVVMUQIMAIVRP-UHFFFAOYSA-N 489.601 4.515 10 10 JJCE COc1ccc(I)cc1C=C1SC(=S)N(c2ccccc2)C1=O 2297366442 IUAADDZNZUGYJM-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 2297559553 KYIZLTONLNUXJY-UHFFFAOYSA-N 478.401 4.680 10 10 JJCE COc1cccc(C=C2SC(=S)N(c3ccc4c(c3)C(=O)c3ccccc3C4=O)C2=O)c1 2321721301 FVCQAQQHKKWGSF-UHFFFAOYSA-N 457.532 4.876 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(Br)c2O)[C@@H]1C(F)(F)F 2370320172 MEFNRHSEZDLODU-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475824 QSJSIWHPUYZPDT-XLNZFTOWSA-N 469.563 4.692 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(Br)c3)C(=N)N2O1 20236784 HFAYSZMHRSTTOJ-GUOILJMFSA-N 482.334 4.666 10 10 JJCE COc1ccc(CC(=O)Nc2c(C)cc(Br)c3c2C(=O)c2ccccc2C3=O)cc1 31440444 WKUIJVKXWPLMKF-UHFFFAOYSA-N 464.315 4.723 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 39835810 FMXWUFKOWKAJCP-XDJHFCHBSA-N 481.599 4.887 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1 59861050 CJEQKXBSJREJOA-WQRHYEAKSA-N 483.477 4.544 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1C 96450490 LPRFWGCOWQNMPW-IXLJKPNMSA-N 496.614 4.791 10 10 JJCE Nc1cc(Oc2ccc(F)cc2)c(N)c2c1C(=O)c1c(N)cc(Oc3ccc(F)cc3)c(N)c1C2=O 206676683 FUDMGDKMEPYJCQ-UHFFFAOYSA-N 488.450 4.654 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526463054 HSBZCRDFEWZTDI-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4nc3Cl)CC2)cc1 1858100388 JTWPNUQSAWKACM-UHFFFAOYSA-N 460.759 4.622 10 10 JJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 1860084557 SZJFNFYBFWFQCZ-UDWIEESQSA-N 457.577 4.851 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)C[C@@H](CNC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1865983339 MJDAAYINMQJLCL-FQEVSTJZSA-N 455.480 4.651 10 10 JJCE CC[C@@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866970556 BRCVGSQTXZRLSH-VWNXMTODSA-N 486.543 4.874 10 10 JJCE CC[C@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409131 YDVLDZHAONJPIE-SQHAQQRYSA-N 485.072 4.648 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CC(C)(C)[C@H]1OCc1ccccc1 1881515285 KHGPEVMZZPICSA-YIXXDRMTSA-N 453.627 4.860 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2080005010 IKUZNPPZFNBQDP-MRXNPFEDSA-N 466.319 4.559 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3ccc(Br)s3)cc2)CC1 2286071538 OTGKWUQTUYYDDT-GOSISDBHSA-N 452.418 4.616 10 10 JJCE Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S 2296928540 ZBZUAVOSHPSDBT-UHFFFAOYSA-N 467.594 4.779 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314837785 WSIKDZBACWQTNF-LLVKDONJSA-N 452.479 4.639 10 10 JJCE CC[C@H](N)Cc1cnc(Sc2cc(I)ccc2Br)s1 2338408943 PTQHLDUDYVHPQR-VIFPVBQESA-N 469.211 4.941 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 1184520 CZVVREKAIMVMID-BUHFOSPRSA-N 451.754 4.831 10 10 JJCE CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(N(C)C)cc2)cc1 8431622 FWVCPSHQUCTEGN-QJVLTQJFSA-N 474.605 4.806 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C(F)(F)F)c5c4CCCC5)cc3)CC2)cc1 13360298 DYSNWNDGEZOTHT-UHFFFAOYSA-N 484.522 4.741 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475846 MNDYFNIZAISWRY-KHCICDEESA-N 469.563 4.548 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 20154711 SEGYMGFBYUBMIK-LCQIMXFNSA-N 496.614 4.791 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1 33760526 KXNLURYIAKMPGO-XDXPSGJKSA-N 483.553 4.727 10 10 JJCE Cc1nn(Cc2ccccc2)c(C)c1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 59858809 BXEQWRRBQGMYKJ-UDWIEESQSA-N 479.334 4.817 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 64636034 VFGWEBWEMQFFDF-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE CCn1cc(CN2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2cc(Cl)ccc21 65060057 YRSPBMMIAAWVTM-UHFFFAOYSA-N 453.030 4.909 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526147701 PKZXFOZWJJLMGQ-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 526255440 BACUHPYVRGYEBR-OAQYLSRUSA-N 451.500 4.783 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)CC2)cc1 1860261934 KGFUJYHTUKDGLD-HXUWFJFHSA-N 484.552 4.585 10 10 JJCE Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860866141 RDXIDFVBHSEXIK-LFIBNONCSA-N 468.601 4.675 10 10 JJCE C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867017882 SQDLMVJHEOKDHU-SIBVEZHUSA-N 494.591 4.954 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168459 WFZCFHOHJCFTNU-SQJMNOBHSA-N 469.585 4.704 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873169140 BATMSQMHLTZSKG-UHFFFAOYSA-N 485.632 4.842 10 10 JJCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873420384 MWNODGLVCSLWRP-UHFFFAOYSA-N 457.574 4.885 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2CC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163130470 HUASLYRTIBWRSP-RSXGOPAZSA-N 466.670 4.745 10 10 JJCE CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2296881742 YPXLNDARXNLDDP-UHFFFAOYSA-N 489.416 4.882 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)cc2OC)SC1=S 2314770025 YHDXYQUCECMUOD-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 2314932710 OQDRLXXYELVMOC-YOEHRIQHSA-N 457.573 4.900 10 10 JJCE C[C@H](C(=O)Nc1ccccc1)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945242 WKERKOUKJFYKJG-MRXNPFEDSA-N 493.610 4.907 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)C=Cc4ccc(F)cc4)CC3)cc2)c1 2328776526 XNPBXBKWBIHNKW-UHFFFAOYSA-N 472.564 4.506 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccn5)CC4)cc(NCc4ccco4)c1c23 9641995 YLJQXHYGYBRBJA-UHFFFAOYSA-N 477.524 4.966 10 10 JJCE C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)C1 9642243 LEZWNDOQFAIILB-SFHVURJKSA-N 496.567 4.831 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548257 BOOGIWHRPRVMLW-HBRWFNOWSA-N 476.598 4.829 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 102902585 GJKGQHBTIZUQLT-FRKPEAEDSA-N 469.371 4.557 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccco2)SC1=S 208270198 WXVKBXMTWDZCMS-XDHOZWIPSA-N 470.620 4.552 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 210168948 UCFCJIDJFGBTGP-UNOMPAQXSA-N 466.496 4.888 10 10 JJCE CCOc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344765 FCEMVJJRPSYXPL-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE Cc1ccc(OCc2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1868166051 PKAQDLVQTCVOPJ-UHFFFAOYSA-N 468.534 4.987 10 10 JJCE CCCCCOc1cn(CCCOCCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675849 BNCKBZYKTHPDFR-UHFFFAOYSA-N 499.696 4.955 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164823 UPUYESOJJMZMOA-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S 2040480785 ZCQMNKWUGCZPDG-GFCCVEGCSA-N 486.354 4.773 10 10 JJCE CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(N(C)C)cc2)cc1 2042453370 FWVCPSHQUCTEGN-CUBQBAPOSA-N 474.605 4.806 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 2293544009 LTNNXYFKECKVFF-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2296398087 SAQCWQNTNXTCTO-GOSISDBHSA-N 475.520 4.886 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)SC1=S 2297366042 CXIAWRKCFCSXAW-UHFFFAOYSA-N 456.589 4.551 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 2313553241 WXKVBFKUFNNMPQ-UHFFFAOYSA-N 459.458 4.700 10 10 JJCE Cc1ccccc1NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945227 RPGJZEIIRRVZMY-UHFFFAOYSA-N 493.610 4.654 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21 14461209 LBNVVMJNQACTNQ-ZDPZECHZSA-N 457.368 4.748 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@@H]2C=CC[C@@H]21 14544176 SPOZWBMYPAHOHQ-AWVRMFGXSA-N 489.641 4.611 10 10 JJCE Oc1ccc(I)cc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O 36245363 KDYSFBKHDIGEIC-HXUWFJFHSA-N 469.282 4.847 10 10 JJCE COc1ccc2nc(NC(=O)CCCN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1 39875021 NEVJSRHPEGHHPA-PDGQHHTCSA-N 469.613 4.925 10 10 JJCE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc(-c2ccc(OC)cc2)o1 115334251 ATVUSGMMAKHHHB-UHFFFAOYSA-N 450.520 4.692 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526201979 YVHNRFVYTHQQMZ-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1705525199 AHUOPJOAFZMJAU-UHFFFAOYSA-N 471.527 4.660 10 10 JJCE CCOc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nnc(C4=S=CC=C4)s3)oc2c1 1859762055 DKJDKUAXAITQDN-UHFFFAOYSA-N 475.551 4.588 10 10 JJCE CCC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861962148 MZWBOBYRDKWAFU-IBGZPJMESA-N 498.838 4.903 10 10 JJCE O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1865877180 YVAOINGOWAZNPM-UHFFFAOYSA-N 483.307 4.783 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(ccc4ccccc43)c2=O)N2CCCCC2)cc1 1866076977 YFVAIWNFMNZPFV-SANMLTNESA-N 468.601 4.704 10 10 JJCE Cc1cc2oc(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2cc1C 1866296130 CSFYZSCKOVYVJH-XMMPIXPASA-N 461.606 4.741 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](C)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981002 GAWIMLLEUUOBNN-WOJBJXKFSA-N 494.039 4.746 10 10 JJCE C[C@@H](COCc1ccccc1)C[C@@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2270552109 IYWWEVLCVGKMLR-PXDATVDWSA-N 453.627 4.987 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1C 2297341057 LPRFWGCOWQNMPW-UHFFFAOYSA-N 496.614 4.791 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1O 2297512917 SJZBRXRBAMRIHM-UHFFFAOYSA-N 465.394 4.635 10 10 JJCE O=C1C(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 2297560032 DNUWYOYHANGCMA-UHFFFAOYSA-N 469.544 4.720 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OCC 2314754598 WLCCTQAGGIRJGG-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141392 SLERGNABSBZNQX-UHFFFAOYSA-N 462.289 4.865 10 10 JJCE CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 15056116 ILFOORBNFUHYNL-MTJSOVHGSA-N 464.568 4.745 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)cc1 20114752 YNXBPUMFLCTXDM-BWFWVIOXSA-N 468.560 4.699 10 10 JJCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33436494 MDHLFNOFUQDICY-KGENOOAVSA-N 490.654 4.641 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 35446310 JKDDZTBOAWPIPD-XOWGOQOESA-N 477.611 4.928 10 10 JJCE CCCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 38732793 XHVOKQIDSULFRM-HKWRFOASSA-N 482.675 4.636 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)c3ccco3)CC2)cc1 49486430 KXALYBFVCHAQNO-QFIPXVFZSA-N 474.388 4.888 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 95926302 NGDDUYVINWJWRF-ATVHPVEESA-N 476.601 4.552 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526393089 PCANSGNXDSYEGR-RUZDIDTESA-N 457.530 4.777 10 10 JJCE CC1=CC=NC2=N/C(=C(/O)N=NC(=O)c3ccc(COc4ccc5ccccc5c4)cc3)NN12 606346766 RNPBIISDUYWHKO-CBFQZSMBSA-N 452.474 4.860 10 10 JJCE Cc1cc(CCNC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c(C)n1-c1ccccc1 727031118 KCTZJXLVVRKNIU-UHFFFAOYSA-N 496.615 4.853 10 10 JJCE Cc1cc(C(=O)[C@H](C)N2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 727237081 AKXSESGAQCIPIA-FQEVSTJZSA-N 487.591 4.991 10 10 JJCE O=C1/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1614996485 LCIMZLFKLCGLTA-TUTDSIAXSA-N 474.412 4.642 10 10 JJCE CCN(CC)CCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858589510 VXWAUQFLSFPAEI-NTEUORMPSA-N 463.850 4.741 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748937 PCLOBOFUBQYOAT-UHFFFAOYSA-N 479.558 4.663 10 10 JJCE COC(=O)c1c(NC(=O)c2cccc(C(=O)O)n2)sc(C)c1-c1ccc(Br)cc1 1866065106 YBRJTQSKYXLMMF-UHFFFAOYSA-N 475.320 4.618 10 10 JJCE Cc1c(O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc2c3c(c(=O)oc12)CCC3 1874017750 VCNFKEUKBWGPLF-INIZCTEOSA-N 493.515 4.772 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CCc4ccccc4C)c3)CC2)cc1 1874727226 MFXPBPGLBGOIGM-UHFFFAOYSA-N 485.628 4.970 10 10 JJCE CCN(Cc1nc(O)c2ccccc2n1)C(=O)C=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C 2040488352 PBEJTCDEIOFSRJ-UHFFFAOYSA-N 470.529 4.534 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 2296701105 RJQCDBSTSVHQLN-UHFFFAOYSA-N 455.586 4.667 10 10 JJCE Cc1c(N2C(=O)C(=Cc3ccccc3Br)SC2=S)c(=O)n(-c2ccccc2)n1C 2296717913 JLSJHNYFGBQDTK-UHFFFAOYSA-N 486.416 4.653 10 10 JJCE O=C1Nc2ccccc2C1=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 2297318898 ZSHYBQQROFESHU-UHFFFAOYSA-N 450.336 4.519 10 10 JJCE COc1cccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1OC 2313682769 KJGQVIZLDGKENS-UHFFFAOYSA-N 458.474 4.749 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 2314835482 JRHCLHVEZJWJME-UHFFFAOYSA-N 469.371 4.508 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)C=Cc2ccc(Br)cc2)N2CCCCC2)cc1 2329604557 CZVCLBPWDPYCDH-HSZRJFAPSA-N 456.428 4.872 10 10 JJCE CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4cccc(OC)c4)cc3)C2=O)cc1 1117930 MFXIVGAKYHPQDF-HZHRSRAPSA-N 470.481 4.984 10 10 JJCE COc1ccc(NC[C@@H](O)Cn2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 13573547 GTDZTLWJHAUDHU-YMCFUUGVSA-N 480.568 4.929 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O 14457111 CGNFSQWHJBSTDQ-RLSLOFABSA-N 454.592 4.792 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)c1 14472797 ZUIOAQHCRKHKDE-JKSBSHDWSA-N 459.955 4.859 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NC3CCCCC3)nc12 33781131 LLTXKRQYXVWXFN-RGEXLXHISA-N 468.648 4.891 10 10 JJCE Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)c(Cl)c2C)cc1 33813409 DSVXJSRIHWIXEG-UHFFFAOYSA-N 465.980 4.604 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N1c1ccc(F)cc1 59135112 DTIZNGIGBYXCBO-JAIQZWGSSA-N 460.417 4.640 10 10 JJCE Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 72010847 XLJVVXDXQHNVDO-UHFFFAOYSA-N 487.478 4.718 10 10 JJCE CCN(CC)CCOc1ccccc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 107683836 LUSIIINRTZUASP-UHFFFAOYSA-N 463.578 4.838 10 10 JJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 205970306 QKNJUGFCCYPDDM-XQNSMLJCSA-N 459.477 4.758 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(O)cc1 214757712 IKJIUKCQWSLSOK-XMHGGMMESA-N 471.560 4.701 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 1083961577 MJONPMXISIQQSC-ZDLGFXPLSA-N 455.848 4.692 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)CC1 1690763536 PBKQSUCNWDLDPN-UHFFFAOYSA-N 484.595 4.845 10 10 JJCE CC[C@@H](C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857381 CTXFLAOIQBTBAF-HZPDHXFCSA-N 487.512 4.610 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC 1865675662 UEGQTSZZZJGJIB-HZHRSRAPSA-N 481.568 4.663 10 10 JJCE CCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868705369 IZJXRVUYCMTTBW-UIOOFZCWSA-N 483.628 4.598 10 10 JJCE CCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871477541 FMRCKYYMFKQWGK-UHFFFAOYSA-N 475.641 4.673 10 10 JJCE O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179024 IHEYYPHRQNFABR-UHFFFAOYSA-N 459.299 4.818 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079037308 HBJFMKDFMQZJSL-AWEZNQCLSA-N 494.251 4.697 10 10 JJCE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCCC2)cc1 2106868855 YVASMOBNLAPPGS-DQEYMECFSA-N 452.643 4.702 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)c1ccc(OCc2ccccc2)cc1 2296042373 FYOZBRPOSFWEHP-UHFFFAOYSA-N 464.543 4.951 10 10 JJCE CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2cc(C)cc(C)c2)SC1=S 2297624595 IRHHNWUMYZQPLZ-UHFFFAOYSA-N 458.561 4.891 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 2314650537 MYHGWKAVVOXRJN-INIZCTEOSA-N 491.612 4.531 10 10 JJCE CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 33436315 NQBXLKZJNSMKQE-CJLVFECKSA-N 484.643 4.734 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4cccc(OC)c4)c3)C(=O)N=C2S1 102465112 HLPVBCPRTDSAAP-ONWPUYBOSA-N 464.547 4.572 10 10 JJCE Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 137509307 UAEKTFRFJQMTLZ-MTJSOVHGSA-N 477.498 4.937 10 10 JJCE CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 746426790 QKFDNSYOAFUTBM-XMMPIXPASA-N 484.065 4.958 10 10 JJCE COCCN(Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O)C[C@@H]1CCCN2CCCC[C@@H]12 1614473777 PMMPCFUQDDXMBO-CPJSRVTESA-N 464.606 4.673 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)sc(C)c1-c1ccc(C)c(C)c1 1860749287 WNWBULNUKWZUEP-UHFFFAOYSA-N 489.597 4.906 10 10 JJCE CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1cccc(Cl)c1 1862306504 HSNXOLWGCBEOPW-UHFFFAOYSA-N 452.986 4.508 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1 1862374667 YTGPZWDPWSNOIE-UHFFFAOYSA-N 482.584 4.827 10 10 JJCE CCOC(=O)CCCOc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870794730 DXDCONOGAGSFSJ-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE CCOCCCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169982 JXDZVZYCAKNZHK-YADARESESA-N 463.622 4.769 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079063366 GYFAEWPPQXJIRB-HNNXBMFYSA-N 476.261 4.615 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1 2180991289 LKZIYAPLXDLSRX-PXDATVDWSA-N 471.602 4.769 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)ccc1Br 2313631661 VLEIZEFBODNTDS-UHFFFAOYSA-N 465.303 4.680 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1OC 2314741372 XZIOKMRWEQLVCJ-UHFFFAOYSA-N 451.610 4.665 10 10 JJCE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470750 NKTBKHHHPLFBEN-PNLZDCPESA-N 459.955 4.859 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473027 QZCJTAFRBCZBHC-MCLIINAXSA-N 453.926 4.984 10 10 JJCE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 33795989 FFWHVTMEFJXTQN-XMHGGMMESA-N 497.045 4.740 10 10 JJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C\c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)sc2c1 33893302 AZAPUCWULWSKFY-XDHOZWIPSA-N 470.466 4.737 10 10 JJCE COC(=O)C1=CN(c2cc(Cl)cc(Cl)c2)c2cc(Br)ccc2S1(=O)=O 64979279 AKKYYOUXJTYALR-UHFFFAOYSA-N 463.136 4.696 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 65023414 GHBHSAFYFZOQPU-DEOSSOPVSA-N 457.622 4.831 10 10 JJCE CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC)c1C 102936896 WURWTJUDTFYEAI-GHRIWEEISA-N 455.536 4.519 10 10 JJCE CCOC(=O)[C@@H]1N2C(=O)[C@H](N=[N+]=[N-])[C@@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 104152541 LGDCTGUWGJXHDU-AOJNWGRGSA-N 468.538 4.963 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2cccc(OC)c2OC)cc1 205970989 HRDTYCHYFKRADT-XQNSMLJCSA-N 488.500 4.758 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)ccc(F)c1O 687734604 QZJFFBCYOUQNPB-VWLOTQADSA-N 453.441 4.899 10 10 JJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2cccc(C(=O)OC(C)C)c2)C1=O 1860086790 HQTFGLBPJJKXSQ-RQZCQDPDSA-N 457.602 4.984 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)C2CCCCC2)n1 1860548998 LGIFIFMYFKWDSR-UHFFFAOYSA-N 453.498 4.628 10 10 JJCE CCCCc1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866515944 FAFNSWPPIHAJRW-MHZLTWQESA-N 474.649 4.894 10 10 JJCE C[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867173036 AWEWRDNCXVNYIF-CVEARBPZSA-N 474.944 4.752 10 10 JJCE CCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660195 OJHMYIMMEJIDQP-UHFFFAOYSA-N 493.623 4.740 10 10 JJCE Oc1cc(Br)ccc1Cn1nc(-c2ccccc2)cc1I 2070039142 MYWCNWQTPFCSBC-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080021854 BGAWMUZSHTXLGX-KRWDZBQOSA-N 482.318 4.557 10 10 JJCE Cc1ccc(C(=O)NN2C(=O)C(=Cc3c(C)n(C)c4ccccc34)SC2=S)c(Cl)c1 2294216492 NUUIQAIXCFDARM-UHFFFAOYSA-N 455.992 4.995 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 2296756190 JSRHHTGEVQRUCU-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 2297499884 JHZFEDDORLSDRT-UHFFFAOYSA-N 476.949 4.532 10 10 JJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)C(=O)O 2314931043 LIBMWIXHRHKFJY-NSHDSACASA-N 453.463 4.963 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 13629672 XRQUUUVEHWJXSU-PTGBLXJZSA-N 493.589 4.981 10 10 JJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 40888464 IHOMLRQSJYJTBL-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE O=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O)Nc1ccc(F)cc1 54201725 CODOCYKNDZACRT-FYYLOGMGSA-N 488.544 4.709 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 102857635 PUKJVUQLNLLGSH-DSFJGVSNSA-N 458.587 4.927 10 10 JJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 205970282 PVGNVSNLEJSHIL-JJIBRWJFSA-N 471.513 4.627 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 210463679 YUMJVDJMTPJOEY-MOSHPQCFSA-N 457.573 4.961 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526217308 WJBAOSFXUZTFTD-VWLOTQADSA-N 460.530 4.836 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526392894 DLVBOFQWDNFINV-XMMPIXPASA-N 460.486 4.512 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1527481595 OGCBVTZSICBKBF-IRXDYDNUSA-N 452.526 4.555 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868275168 NAWKWESJVNMMIU-QHCPKHFHSA-N 491.551 4.531 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCCc1ccccc1 1871145267 SEWGUNLVDSMQRC-UHFFFAOYSA-N 455.558 4.818 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873166455 QJPVAVWEMZBUPB-QHCPKHFHSA-N 490.003 4.796 10 10 JJCE CCCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420174 IJWZVCHRUOTVNE-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ccccc5Cl)CC4)ccc3[nH]2)cc1 1873506815 QXAPBIMLWGYBSO-UHFFFAOYSA-N 459.981 4.912 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 2293406567 NMAYLTHNKAJSAM-UHFFFAOYSA-N 480.929 4.746 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 2296713760 YPJHRHNULXVJSJ-UHFFFAOYSA-N 497.480 4.984 10 10 JJCE CCN(CC)c1ccc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)c(OC(C)C)c1 2297577867 FKGLRISPWBXIPW-UHFFFAOYSA-N 472.383 4.544 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 2313683147 SOBMIIOTOGBDFG-UHFFFAOYSA-N 473.529 4.858 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1 2320656183 RPYKQNGUZUQLMD-UHFFFAOYSA-N 454.617 4.624 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1 33424428 TWTDNABFTRZMGW-QNGOZBTKSA-N 478.932 4.658 10 10 JJCE O=C(O)c1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1 33456231 GCPVSCFNRRBSRE-DEDYPNTBSA-N 460.417 4.610 10 10 JJCE Cc1cccc(N2C(=O)/C(=C3\C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1C 34782307 SMOQDTZJLMMRDS-QURGRASLSA-N 463.628 4.869 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 65023258 ZEEURZHEOSVWOB-QFIPXVFZSA-N 461.585 4.662 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1O 226684702 JJMMWJJJPZLNSW-RNHFSVANSA-N 454.592 4.838 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864009582 BIDGEOFGLDRNOO-HSZRJFAPSA-N 490.604 4.545 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 1865665681 GPFFXOWAUQYPHL-CPNJWEJPSA-N 490.387 4.519 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865677838 FYOVYNPPVAIHFX-XDHOZWIPSA-N 494.301 4.906 10 10 JJCE COC(=O)c1c(NC(=O)/C=C\C(=O)NCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866264396 WHORIYOFYXVHEF-SEYXRHQNSA-N 462.571 4.938 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873164029 IXKBGDMTXRJHGY-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE COc1cc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc(OC)c1 1873936009 SFCLNJWEJZVQOA-UHFFFAOYSA-N 494.551 4.620 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@]1(CN)CC[C@@H]1OCc1ccccc1 1881311895 ZLXUDFAQFQJGDX-IGKIAQTJSA-N 451.611 4.541 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)S3)CC2)cc1 2053493320 OHZDNZPKYMVANG-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2078993014 XDJMAGODRPMDCQ-SFHVURJKSA-N 468.335 4.801 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080025658 RRCCCLGPWHZPFZ-KRWDZBQOSA-N 481.378 4.596 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNCc1cccc(Br)c1O 2194003617 RUEHIKAMQKWFJO-MRXNPFEDSA-N 453.402 4.840 10 10 JJCE CN(Cc1csc(=NCc2cc(Cl)cc(Br)c2O)[nH]1)C(=O)OC(C)(C)C 2224602606 WKWRPRBTYGMCEX-UHFFFAOYSA-N 462.797 4.666 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)C2=O)cc1 2293519270 RGXGFOFFOJSKFQ-UHFFFAOYSA-N 490.899 4.592 10 10 JJCE Cc1csc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)n1 2296754922 SCGFOKVTZHPQOE-UHFFFAOYSA-N 482.450 4.834 10 10 JJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2297624900 CRRCUTMKVXWPIX-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c1 2297693451 LKJGBBUQGYNIBG-UHFFFAOYSA-N 456.873 4.885 10 10 JJCE COC(=O)CCCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S 2314740016 QJNGCHRYBCZSGK-UHFFFAOYSA-N 450.585 4.844 10 10 JJCE CCCCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)c1 2321717889 FDOQATAQTMAHOG-UHFFFAOYSA-N 455.557 4.821 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4nsc5ccccc45)cc3)CC2)cc1 8599510 PNPHWBHFSKHGIO-UHFFFAOYSA-N 472.570 4.520 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@H]4CCCC[C@@H]4C)c4ccccc4n3)CC2)cc1 23428377 RFWXZZJVOSPDCL-CPJSRVTESA-N 458.606 4.879 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 97575178 ROONENDGLIHXAP-FYJGNVAPSA-N 467.591 4.647 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 526191498 SBQMZBINFWFWEL-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CNc3ccccc3Br)C2=O)cc1OC 1084568175 SBVPIXHYOQHHAP-LICLKQGHSA-N 465.394 4.737 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCOC[C@H]1OC 1705869650 AOZQGUQQXJEDNM-WIOPSUGQSA-N 461.610 4.583 10 10 JJCE COc1ccc(C)cc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347324 JXZVUDBCDWKRHE-MUUNZHRXSA-N 480.568 4.744 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865028257 UJEVIQLANJXAPG-XMMPIXPASA-N 490.604 4.715 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)N(CC)CC 1865674926 FYWXTPMTWMGNTR-XMHGGMMESA-N 469.969 4.792 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccc(I)cc4c3=O)cc2)cc1 1866154791 IOYPLVHQPBYUEB-UHFFFAOYSA-N 497.292 4.760 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(C(C)(C)C)cccc3c2=O)N2CCCCC2)cc1 1866434657 LLWQLCCOZMYGGT-RUZDIDTESA-N 474.649 4.849 10 10 JJCE CC(C)NC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870945701 ZRBZTVMJNXXHFL-UHFFFAOYSA-N 486.572 4.749 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425624 ITAIKJAJHVGEND-UHFFFAOYSA-N 483.572 4.589 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)c(O)c(O)c2)C1 1952453314 XSGRCVYUCLWTJD-NYHFZMIOSA-N 475.497 4.590 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 2053494180 NUEHYMYJNWVHIX-UHFFFAOYSA-N 470.660 4.762 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080053189 GRQJEPCZWUMLAV-SNVBAGLBSA-N 464.250 4.534 10 10 JJCE O=C(OCc1ccccc1)N1C[C@H](NCc2cc(Br)cc(F)c2O)C2(CCC2)C1 2089113393 HJWRCEAZDPVHHH-IBGZPJMESA-N 463.347 4.575 10 10 JJCE CN1CCc2cc([C@H](O)CC3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163071893 SHWFGZLWLXZNKZ-RUZDIDTESA-N 465.638 4.662 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Br)c2O)C[C@H]1C(F)(F)F 2279274584 JFHYCIFXJFJTGM-OCCSQVGLSA-N 453.299 4.575 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 2297347547 GURVFPBATGVPDB-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE CCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2OC)SC1=S 2297460048 WUZCMMZCQSYRPZ-UHFFFAOYSA-N 451.205 4.831 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1OC 2314538964 HXADXKXNDFQNAC-UHFFFAOYSA-N 487.555 4.676 10 10 JJCE COC(=O)CN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S 1281923 IRIMZHCOPFPQLW-GIJQJNRQSA-N 498.409 4.955 10 10 JJCE COc1ccc2ccccc2c1[C@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@H]2C=CC[C@H]21 14544136 SPSWLRMKYKXXNU-XXAUWVGASA-N 476.598 4.696 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550789 OYRXBJKVYMHNBO-LGVFNWMJSA-N 453.564 4.842 10 10 JJCE COc1cc(OC)c(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1Br 33400612 UGKWBGSXOMEVKG-MLPAPPSSSA-N 481.755 4.791 10 10 JJCE O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 33417436 NWAHKQMDEOLGDA-XBHDXBGESA-N 494.528 4.693 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1C[C@@H]1CCCO1 59109228 IUPPIVSFCLWTCS-FUDBJYBQSA-N 488.407 4.718 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59443017 ZUTQABWRGMXQJI-IOTOJMDBSA-N 485.923 4.592 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526228304 GTDNNPXJUAKPHM-RUZDIDTESA-N 490.556 4.844 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526378574 XRUAFMQPGIFMCV-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526507799 ZLPZQWMIQCTYAW-VWLOTQADSA-N 476.529 4.628 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@@H](CN2CCCCCC2)C1 728751871 WETOCTOVNJDKRW-FQEVSTJZSA-N 464.601 4.554 10 10 JJCE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(I)cc2C)cc1 1860709014 GLBUULMWHCEKLW-UHFFFAOYSA-N 465.379 4.564 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868938994 JSSWTOHIUJWWBN-RNWIMVQKSA-N 497.655 4.988 10 10 JJCE CCCOc1cn(CCCCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870658930 YQFPBTSJAUOFEZ-UHFFFAOYSA-N 489.660 4.991 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccccc3)C2=O)cc1 1873165344 JAQLNVGYYGTLAN-UHFFFAOYSA-N 471.601 4.779 10 10 JJCE CN1CCc2cc([C@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106799983 CIWJZSVEYIHRKP-RPLLCQBOSA-N 452.595 4.556 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2313549032 LPTAOGWKKUGTKB-UHFFFAOYSA-N 472.240 4.828 10 10 JJCE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c1 2314817695 SUSPCXBFKILTCC-UHFFFAOYSA-N 499.017 4.659 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O 14459787 FHHKKTQPKSCQDQ-WZOHSFFVSA-N 462.571 4.706 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 14476975 WUSBHBODZKWDSQ-WCJKSRRJSA-N 465.402 4.841 10 10 JJCE CCCCOC(=O)c1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1 65096302 RSXGIDVONHREAN-UHFFFAOYSA-N 486.565 4.562 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c1 526146841 GZHAVSJQVGQDPC-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526219640 RWPLFFLBTKRVLK-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 1084323668 GFEGGSNWGDTQNA-LDADJPATSA-N 465.303 4.586 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCSc2nccs2)CC1 1286863088 CNVIACQYCWGSQP-UHFFFAOYSA-N 498.722 4.940 10 10 JJCE CCCOc1c(Br)cc(/C=C2/C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 1865667733 NAAKZJBGZXIDCI-LDADJPATSA-N 473.367 4.905 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3c(Cl)ccc(Cl)c3[nH]2)N2CCCCC2)cc1 1866535420 WTVLBEXUKIAKEK-NRFANRHFSA-N 487.431 4.858 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)ccc(OC)c3[nH]2)sc(C)c1-c1ccc(C)cc1 1866539838 GPUMQMBHTDHIPI-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)c1 2293749585 SMEKUMGKFFWMBD-UHFFFAOYSA-N 486.509 4.651 10 10 JJCE Cc1ccc(C(=O)N2C(=O)C(=Cc3ccc(I)cc3)SC2=S)cc1 2297578802 FTFHESQNLCGNKM-UHFFFAOYSA-N 465.337 4.641 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 2314717787 WWSDFYWLRVJHPX-UHFFFAOYSA-N 479.627 4.838 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)o2)SC1=S 2314767045 CVSCFJAZVFOQKV-INIZCTEOSA-N 466.378 4.938 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139726 LIQCQRNWKDAAJH-UHFFFAOYSA-N 483.996 4.788 10 10 JJCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(-n4c(C)cc5ccccc54)s3)CC2)cc1 9229197 SZCDUEJMCVMNOB-UHFFFAOYSA-N 488.657 4.951 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 14475666 MOGDSCLJPDZRTK-XLNZFTOWSA-N 463.515 4.928 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)cc1 20663558 QRTLIZASLVXGST-UHFFFAOYSA-N 467.522 4.856 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Br)cc2)[C@@H]2CC=C[C@@H]32)CC1 20680894 KLXMIGAOBRGBSZ-WOIUINJBSA-N 452.396 4.663 10 10 JJCE O=C(O)c1cccc(COc2cccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2)c1 33574560 UNXBURJFSIEEJL-STZFKDTASA-N 458.495 4.635 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCC3)nc12 33781516 BQAATTAKBCZUNB-XSFVSMFZSA-N 494.617 4.534 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(Nc4cc(C(=O)O)cc(C(=O)O)c4)=NC3=O)o2)c([N+](=O)[O-])c1 208340048 PPGNTWOFNGFXHD-GRSHGNNSSA-N 493.453 4.642 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526404556 PRFUVJVQPADKDQ-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CC1CCN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)CC1 586718863 PXUBKJHWVLMEAQ-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE COc1cccc(CN2CCCCCCCN(C(C)=O)c3ccc(N4CCOCC4)cc3C2)c1OC 643563410 UVVUKRDGUMOJEH-UHFFFAOYSA-N 495.664 4.860 10 10 JJCE CCCCNC(=O)[C@H](C(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156795 HLFLSFNOMNAZHW-SFKKXYGYSA-N 455.443 4.591 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(C(C)(C)C)cc3c2=O)N2CCCCC2)cc1 1866437635 IGHACKVCGFKHDV-AREMUKBSSA-N 474.649 4.849 10 10 JJCE COc1ccccc1CN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164230 RSFOANISKSSJCK-UHFFFAOYSA-N 481.552 4.766 10 10 JJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c([N+](=O)[O-])c1 1873929834 UFBFGKHLFNLAIG-MHZLTWQESA-N 495.539 4.644 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1952825792 PILMBJLXSJFBNK-CZUORRHYSA-N 499.155 4.702 10 10 JJCE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1962923332 CHXLRAVDKAWUDE-RUZDIDTESA-N 488.584 4.710 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079037208 FIXGUSUFMXNNQC-CQSZACIVSA-N 464.225 4.723 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N(Cc3ccccc3)CC3CCOCC3)ccc(N)c2C1 2095837342 SUJOPIAUAWGKNG-UHFFFAOYSA-N 451.611 4.995 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 2294216465 HNAPGQZLOJHJMN-UHFFFAOYSA-N 495.782 4.797 10 10 JJCE CCCCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OCCOC)c1C 2296800647 LGMNYJAVFMVGIT-UHFFFAOYSA-N 499.589 4.535 10 10 JJCE COc1cc(OC)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1Br 2297349613 FWXAGNJSKLUJOU-UHFFFAOYSA-N 464.406 4.910 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 2313549141 OCFGBJVBNSVUAU-UHFFFAOYSA-N 486.568 4.838 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1OC 1476905 BOCQJGIBWYVJBZ-WXUSHSQQSA-N 453.585 4.855 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475823 QSJSIWHPUYZPDT-GLDPYIMESA-N 469.563 4.692 10 10 JJCE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 35401721 PIUDPZLZTRXBPD-YJFMCDHMSA-N 478.574 4.799 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 210676663 QQHFTKMDUWUCBE-KGENOOAVSA-N 474.563 4.892 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OCC)[C@@H]2c2ccc(O)c(O)c2)cc1 526239981 LEBKNFJKMVMQJR-DEOSSOPVSA-N 477.513 4.961 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526274286 PVGSXCOLOOAQNS-JOCHJYFZSA-N 471.868 4.965 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526285005 RLJZJZDIERHEGX-JOCHJYFZSA-N 493.903 4.702 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)N(C)C)cc1 1858593931 DXCRZPRTDAPXBT-HPARJBSBSA-N 481.643 4.700 10 10 JJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cccc(Br)c1 1862353916 OTSXWRVSAZPAGX-UHFFFAOYSA-N 483.410 4.694 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864021364 BASJDOUKYMDXKA-WMLDXEAASA-N 496.530 4.503 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866466219 YNEIFTNSNOEYIE-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868865543 KSKSOADXNQQNFN-SBUREZEXSA-N 492.447 4.595 10 10 JJCE CCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870977640 MTCVRYUBASXDAX-UHFFFAOYSA-N 486.572 4.902 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(F)c(F)c4F)c3)CC2)cc1 1874734471 ROUUTISOIRNBQL-UHFFFAOYSA-N 498.501 4.727 10 10 JJCE CCN(CC)c1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(O)c1 1951401423 DJSCKQRXNIKHDQ-VWLOTQADSA-N 460.530 4.903 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCOCCOc3ccc(C)cc3)c(OC)c2)SC1=S 2293140536 ZSQFKOZGLYCRDN-UHFFFAOYSA-N 473.616 4.699 10 10 JJCE Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 2294229448 UNFMYKANISNQDR-UHFFFAOYSA-N 469.541 4.968 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 2294581421 VCHQITKZNCEDFE-UHFFFAOYSA-N 494.507 4.881 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1c(C)cccc1C 2297341012 COFSXYBIEMNLNI-UHFFFAOYSA-N 496.614 4.710 10 10 JJCE CC1CCN(C(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)CC1 2314486346 KOODXTDMYGQCTI-UHFFFAOYSA-N 450.629 4.802 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936288 WPLDKAJUTNLCPB-INIZCTEOSA-N 473.572 4.742 10 10 JJCE Cc1cc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)c(C)n1-c1ccc(F)cc1 9658865 BXWFNDRKMSAJHT-UHFFFAOYSA-N 466.582 4.944 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1O 14459501 GAXQHAXTKGFLAM-GLDPYIMESA-N 454.592 4.838 10 10 JJCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15038633 DFEBOEGHAPLRFZ-QNGOZBTKSA-N 478.595 4.565 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)NCc1ccccc1 15043627 YVOYZWRYESWXDM-AQTBWJFISA-N 475.433 4.747 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N2O1 20236836 CDWBMGIQBNQNRL-ZWCAKHMGSA-N 451.910 4.865 10 10 JJCE COc1cc(/C=C2/SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc(Br)c1O 96835994 QQQRZBIDFUXRCM-OQLLNIDSSA-N 453.745 4.923 10 10 JJCE O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)cc1 725442209 JAVBRRFMDWBECP-KHCICDEESA-N 491.525 4.920 10 10 JJCE O=C1/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCCO 1858587977 KVCKEOGLAUPJKL-KGENOOAVSA-N 473.019 4.957 10 10 JJCE CCN(CC)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858589077 HHMDRINSBNTMNB-CJLVFECKSA-N 456.633 4.817 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)ccc1OCc1ccccc1 1858590336 KOWPWPVNNIYKLX-NNIWKIFQSA-N 489.640 4.682 10 10 JJCE CC[C@@H](C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857767 HESLEZHRMGAHPV-HZPDHXFCSA-N 487.512 4.610 10 10 JJCE COc1ccc(Cl)cc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345038 PMAMPASIWKZLSJ-UHFFFAOYSA-N 484.943 4.875 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1867946221 IWYNSUHNGUUMJR-JOCHJYFZSA-N 457.622 4.781 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)c4ccc(OC)c(OC)c4)nc(C(C)(C)C)n3)CC2)cc1 1869189524 JVONSDOZWCBPSZ-UHFFFAOYSA-N 491.636 4.894 10 10 JJCE CCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421614 HQWKPBGGWRCFOJ-UHFFFAOYSA-N 474.517 4.613 10 10 JJCE CN(C)c1ccc([C@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2106857002 GTGQWWORMQCQQJ-XMMPIXPASA-N 452.643 4.702 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2163089303 JPNGTDXSXQMSCM-ZWKOTPCHSA-N 474.646 4.644 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)cc1I 2180959399 CJHYUVKIPZXORG-LBPRGKRZSA-N 485.326 4.801 10 10 JJCE O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296088603 GRNTYQGMZQBFAB-UHFFFAOYSA-N 469.541 4.656 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 2297365090 AWZJOYSOARLZHH-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 2313549414 VNHWLRWSOFEVGH-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CC(C)N1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2314504426 OSNZTTGRWOGYHZ-UHFFFAOYSA-N 457.964 4.750 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2314650476 IYUICMIZXJMJKS-ZDUSSCGKSA-N 486.354 4.773 10 10 JJCE CCOc1c(Br)cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 2314754220 NIXGKVNGUNIOTC-UHFFFAOYSA-N 488.425 4.703 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1O 2314769723 UPJXHQZIWINIOF-INIZCTEOSA-N 494.388 4.581 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831906 VLKYUUVLIWKXKY-UHFFFAOYSA-N 466.544 4.696 10 10 JJCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCc3ccccc32)cc1 15780713 QRLMCCHGXRGTCD-HXUWFJFHSA-N 462.040 4.550 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1-c1ccncc1 33334423 MNEZOIUTPUNDIC-UNOMPAQXSA-N 481.375 4.923 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCCCCCCCCC(=O)O)C2=O)cc1 35655949 UNRFJNUHWXKGLW-SILNSSARSA-N 476.664 4.908 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 47133647 ICTCWKNYNXOTOX-WQRHYEAKSA-N 464.572 4.502 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526398 ZUTQABWRGMXQJI-OBAATPRFSA-N 485.923 4.592 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cccc(Cl)c4)C3=O)c2C)cc1 107754292 DPQMEFWWJPADOO-AREMUKBSSA-N 479.964 4.796 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 226742315 HEOYLKXJQFXWOF-XFQAVAEZSA-N 481.401 4.546 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526301982 LETQODPLCGLUBY-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)c1 526619732 SPDRUZCDSFHTLC-JOCHJYFZSA-N 473.403 4.590 10 10 JJCE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 727476483 WYVPFURKCWWATB-HSZRJFAPSA-N 485.053 4.551 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OCC)cc2)sc(C)c1-c1ccccc1 1860747619 QDPXDABJFBXCDS-UHFFFAOYSA-N 452.532 4.876 10 10 JJCE CC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714335 NWXYIRSUNVFHPV-RSXGOPAZSA-N 483.628 4.516 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nonc3OCc3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1872680780 REJBQSKVPBEKCU-UHFFFAOYSA-N 497.766 4.580 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(C)c(C)c4)cc3)CC2)cc1 1874741172 WEALVKKMXDXENL-UHFFFAOYSA-N 486.612 4.855 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)cc1C 2080012264 MRLAWUABFFJIPL-KRWDZBQOSA-N 451.352 4.833 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080037318 ZCDSBWCLKLASHY-QGZVFWFLSA-N 498.361 4.676 10 10 JJCE CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2294229322 KJFXWSSVZJNVHQ-UHFFFAOYSA-N 461.562 4.935 10 10 JJCE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2296712245 NIXCPSQFRBRKCX-UHFFFAOYSA-N 483.590 4.573 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 2297347400 AUTBMRSTQHZGMZ-UHFFFAOYSA-N 467.909 4.565 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCOC)C2=O)cc1 2314506933 HFRWQAJZMGGDDI-UHFFFAOYSA-N 495.626 4.595 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N([C@@H](C(=O)OC)c2ccccc2)C1=O 2314766809 CDHGTAWMBFIBCD-GOSISDBHSA-N 492.416 4.963 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC)C(=O)O 2314933656 WVLLFUJWYRTAPA-QGZVFWFLSA-N 471.556 4.546 10 10 JJCE O=C(O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 16906032 SXRRTUIHQFDZLR-KGENOOAVSA-N 490.562 4.510 10 10 JJCE CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 20608670 UUJLRDUQLJQROK-AREMUKBSSA-N 477.630 4.687 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 22276404 BYQAZQDXEGLFJG-ZSOIEALJSA-N 467.650 4.659 10 10 JJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990324 KJFKUSZVUCJEHQ-MOSHPQCFSA-N 472.680 4.676 10 10 JJCE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C 59271044 IHFXOWAQDYRXPI-MHZLTWQESA-N 455.514 4.799 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)cc(OC)c1OC 102902542 MSYJHWRJKWRRDE-MHWRWJLKSA-N 466.378 4.881 10 10 JJCE O=C(O)CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S 210605271 LGKXVVADZDWYAF-LCKBGRROSA-N 467.568 4.762 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226850108 FWUMVHNYNMJDQU-FXKZBUDASA-N 453.926 4.984 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858593971 FYGLWAMLSTWXJC-VLHYRRCOSA-N 498.807 4.705 10 10 JJCE C[C@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347267 GPJAZTSEXGWIAC-DFXYEROKSA-N 492.623 4.926 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc(C)c1-c1ccc(Br)cc1 1865866786 JAAYTGFQHYHAQP-PYTWLRIVSA-N 490.375 4.734 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3c[nH]c4cccc(OCc5ccccc5)c34)CC2)cc1 1866398528 JFBPXAWKALLTDH-UHFFFAOYSA-N 455.558 4.647 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(C(F)(F)F)cc3c2=O)N2CCCCC2)cc1 1866470913 ZYMJNLJKKWNGDD-HSZRJFAPSA-N 486.538 4.570 10 10 JJCE CCOC(=O)CCOc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870877728 RXPUQBLPRGIFCN-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)c(O)c2)C1 1952451979 DNOQIFSXMOHREZ-UZUQRXQVSA-N 459.498 4.885 10 10 JJCE CN(C)c1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(N(C)C)cc2)cc1 2042453373 FWVCPSHQUCTEGN-YWEHKCAJSA-N 474.605 4.806 10 10 JJCE CCCN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2C 2163142837 DQWSKHGMCGTIMU-VWLOTQADSA-N 466.670 4.747 10 10 JJCE CC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4C)c(Br)c3)C(=O)N=C2S1 2293202057 YGGKAFOTYOTZTL-UHFFFAOYSA-N 469.364 4.976 10 10 JJCE CCCCOc1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 2296018747 DEUDDIUSIOUKHE-UHFFFAOYSA-N 466.563 4.566 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1F 2297342106 WNZDTFQELGGFMY-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 2314538243 ARRGDEMOJYEEFW-UHFFFAOYSA-N 496.478 4.657 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 2314831685 PVYDIYUROMLPNF-UHFFFAOYSA-N 493.006 4.683 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 33812170 GVRBZAZXQIRTGD-POKCEJIYSA-N 486.707 4.829 10 10 JJCE COc1cc(F)ccc1-c1ccc2nc(C3CCN(Cc4ccc(N(C)C)cc4)CC3)nn2c1 96155849 ONQDGSIWTTXNEW-UHFFFAOYSA-N 459.569 4.990 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCCC(C)C 206861085 LMGWEENFJJYDID-RGEXLXHISA-N 451.610 4.665 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 208740319 NJPQPDGPKNKNQW-LICLKQGHSA-N 457.577 4.974 10 10 JJCE CC1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)CC1 211949457 RGNNNWOTEOJWCN-RCCKNPSSSA-N 458.649 4.858 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526623343 DNHFOMSLAFPKSM-QHCPKHFHSA-N 465.889 4.524 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1O 1307683030 GUHSDSDWYYPLDD-FPOVZHCZSA-N 453.341 4.881 10 10 JJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1 1858587254 RRSYNHJKOCRISW-LICLKQGHSA-N 468.369 4.877 10 10 JJCE CC[C@H](C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857382 CTXFLAOIQBTBAF-JKSUJKDBSA-N 487.512 4.610 10 10 JJCE O=C(CCNCc1ccccc1C(F)(F)F)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860710468 DZGGCHQSEGDWBP-UHFFFAOYSA-N 452.432 4.599 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(Cc4ccccc4F)n3)CC2)cc1 1862311064 RMDNSSPIRHVPTG-UHFFFAOYSA-N 498.602 4.827 10 10 JJCE CC(C)COc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870856233 CYTNFDHPLKDHCR-UHFFFAOYSA-N 476.621 4.571 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873166191 GKDVEYSRYBAYJN-OFVILXPXSA-N 469.585 4.704 10 10 JJCE CC[C@H](C)N1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166667 VOTWWONZUVJUMC-SFHVURJKSA-N 457.574 4.771 10 10 JJCE COc1cc(Cl)cc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1O 2187398853 NOONWDCQBJCFAM-UHFFFAOYSA-N 490.044 4.703 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(F)c1 2294133922 NBOBKKLPIHVXJK-UHFFFAOYSA-N 474.488 4.697 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296713434 BKHNPDFWAWVSDE-CQSZACIVSA-N 495.464 4.736 10 10 JJCE COc1cc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 2297505567 CGXWVEYEXRMGON-UHFFFAOYSA-N 499.523 4.525 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 2313611024 XJOYTOUNPTUVEE-UHFFFAOYSA-N 472.566 4.804 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3OC)CC2)cc1 8597975 ZUSYRUHVTURZLU-UHFFFAOYSA-N 485.540 4.665 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461306 MUXJFEALUSDAHB-DDOIHHOZSA-N 469.379 4.890 10 10 JJCE Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15043992 DBTLJXZPDDHKSY-MOSHPQCFSA-N 456.589 4.807 10 10 JJCE O=C(O)c1cccc(COc2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)c1 33442117 QSKHLBWKRBWAMM-BKUYFWCQSA-N 460.417 4.610 10 10 JJCE COc1ccc(N2CCN(c3ncnc(NC(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])CC2)cc1 40611214 QNXAKTVPYQJDBQ-UHFFFAOYSA-N 496.571 4.922 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54311055 YUGMKYXOLPOVEE-PXDATVDWSA-N 486.678 4.639 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc(OC)c1OC 59382180 KLYXMECEOICOBG-RQZCQDPDSA-N 450.969 4.637 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 206834638 QWUXNFLWLDJWFX-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(Nc3ccccc3C(N)=O)=NC2=O)cc1 208335394 SVJMFTGPZYQKGL-HZHRSRAPSA-N 495.564 4.729 10 10 JJCE CC(C)COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1 526157045 DCNUFMDNVGHDBA-SANMLTNESA-N 489.524 4.961 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1O 687755107 JRQJWRHGYGQNIX-VWLOTQADSA-N 453.441 4.899 10 10 JJCE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OC(C)C 1084261209 UYAJVVFXFZPRJD-MHWRWJLKSA-N 487.350 4.528 10 10 JJCE CC(C)COc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1 1860715191 PAHBGHFPRKFLKZ-UHFFFAOYSA-N 455.780 4.961 10 10 JJCE CCOc1cc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)ccc1OC 1861868450 ZIJWWDROEJJFMK-UHFFFAOYSA-N 486.572 4.608 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678563 SIAAMSBMEHLUOG-HYARGMPZSA-N 458.514 4.551 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)N3Cc4ccccc4C3=O)cccc21 1874017026 LLDODRLSRWRFIG-SANMLTNESA-N 486.527 4.668 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)[C@H](C)c4ccccc4)cc3)CC2)cc1 1874758759 IANXSFIMGNLECN-JOCHJYFZSA-N 471.601 4.832 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5)ncnc4n3CC(C)C)CC2)cc1 1875208834 CDQMQDKNSYIEKU-UHFFFAOYSA-N 498.631 4.670 10 10 JJCE C[C@H](C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951529292 RHQPEXMLDQDKRV-SJLPKXTDSA-N 461.514 4.658 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@@H](C(=O)O)C1CC1)OCC1c2ccccc2-c2ccccc21 1951942561 CAZQORHMWKKPFG-BVAGGSTKSA-N 473.525 4.658 10 10 JJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(=O)OC 2079959972 ZUBPUDCKZQGTJO-QGZVFWFLSA-N 470.351 4.795 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 2314427834 YLTQOPXOCJXHTK-UHFFFAOYSA-N 475.551 4.961 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(Sc3ccccc3)nc12 2204596 ABRDHBGUGNPMMN-SFQUDFHCSA-N 453.614 4.764 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 14550839 RSRHPEKQPRDZMO-RQTOMXEWSA-N 461.543 4.900 10 10 JJCE COc1ccc(NCN2C(=O)/C(=C/c3cccc(I)c3)SC2=S)cc1 59372260 FZIFHTBPBJTHIX-YBEGLDIGSA-N 482.368 4.571 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1 62694195 BSCDVAOXXIWKMH-UHFFFAOYSA-N 450.970 4.780 10 10 JJCE C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1 586659369 FIQFWZRIMLPSPO-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)COC(c3ccccc3)c3ccccc3)cc2F)C[C@H](C)O1 917708390 BECMWYKVTNNYPH-SFTDATJTSA-N 462.565 4.862 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)c2)CC1 1128040581 RXIUOEPJJHRHSE-UHFFFAOYSA-N 453.464 4.692 10 10 JJCE Brc1cc(CNCC[C@@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 1461757018 YDHFTWBKCMLHRP-FQEVSTJZSA-N 451.449 4.895 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705730914 QFMNZSGNUYCXID-CJFMBICVSA-N 463.626 4.807 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Cl)c4)n(-c4ccccc4)n3)CC2)cc1 1869970341 JFRGNSHVJOIUSP-UHFFFAOYSA-N 488.979 4.508 10 10 JJCE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422105 GKZBGPSQBFDQFG-UHFFFAOYSA-N 483.568 4.554 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079064150 UPSYJTWBTSJIDE-AWEZNQCLSA-N 478.277 4.861 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2294082093 ZHFZTLZEQXOILK-UHFFFAOYSA-N 451.519 4.597 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)c1 2313560290 PAFHWIJWXBHWQI-UHFFFAOYSA-N 464.568 4.969 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC)C(=O)O 2314931876 IQUYOIOLOFSNEY-QGZVFWFLSA-N 457.573 4.960 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314935869 SIJPNQDBFYUHAD-HNNXBMFYSA-N 457.573 4.960 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1C 2533382 NOELTDYQPCVKPR-QURGRASLSA-N 479.627 4.516 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2[C@H]2C=CC[C@H]21 14478112 DXRZPMGWIJBZLY-WZOHSFFVSA-N 461.543 4.900 10 10 JJCE CCCCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(OC)cc3)ccc21 20730798 BTTZVZIOJBORTE-UHFFFAOYSA-N 496.721 4.779 10 10 JJCE CCCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 27229535 WMJQICQZCQKKKP-NKFKGCMQSA-N 451.592 4.667 10 10 JJCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 34780745 VCLMOLLOQJRGOC-ISLYRVAYSA-N 493.393 4.679 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4C(SCC)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 96475746 QOAJOIIGGCJSHA-OVDNTTTISA-N 471.520 4.583 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12 101445996 ZWBMYQHRHYJZFG-YYYGAUAXSA-N 476.580 4.871 10 10 JJCE CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C#N)c1C 207136387 DEFQBCREBCDOSY-LUAWRHEFSA-N 451.460 4.925 10 10 JJCE CCOC(=O)c1c(NC(=O)COc2cccc(N)c2)sc(C)c1-c1ccc(OCC)cc1 1860075622 NIACAMOEACSQKZ-UHFFFAOYSA-N 454.548 4.899 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Cc2ccccc2[N+](=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 1866062759 HPLAEULKVMEZTQ-UHFFFAOYSA-N 466.515 4.785 10 10 JJCE Cc1cc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1868141741 CCZHSCWACRHPRD-JOCHJYFZSA-N 486.543 4.794 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427685 WOSNXIUSEKENRK-UHFFFAOYSA-N 468.601 4.689 10 10 JJCE O=C(N[C@@H](CC1(Cc2ccc(O)c(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952090490 OYEPVJINGUSEJY-QHCPKHFHSA-N 473.525 4.803 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079005356 KAFVSTOTWFWUNW-INIZCTEOSA-N 466.319 4.641 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)ccc(N)c2C1 2234724686 MHLCDEZVPKHYQC-SZPZYZBQSA-N 462.638 4.805 10 10 JJCE CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548613 ZWFJTROYBNKAHT-UHFFFAOYSA-N 457.530 4.751 10 10 JJCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2313559828 WFRXBNPIKJECBT-UHFFFAOYSA-N 484.133 4.821 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 2314507428 JVGYVBJUBTVIPS-UHFFFAOYSA-N 451.573 4.715 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831976 WTILTVLYBGGDLW-UHFFFAOYSA-N 461.952 4.868 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2314936061 UHUAWEIZBSZAGC-GFCCVEGCSA-N 463.964 4.996 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OC 2323790365 VUJQEJYDBXTFDZ-UHFFFAOYSA-N 459.589 4.555 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2cccc(C)c2C)CC1 2330188826 UWJLYRDZLGNKGM-UHFFFAOYSA-N 467.614 4.758 10 10 JJCE COc1ccc(OCCOc2ccccc2/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 2978278 SMLJVMPZHOSPIF-OQKWZONESA-N 458.470 4.660 10 10 JJCE Cc1sc2c(c1C)S/C(=C/c1sc3ccccc3[n+]1C)N2CCCS(=O)(=O)O 3656601 MMFOVGBUOONJSN-UHFFFAOYSA-O 453.656 4.593 10 10 JJCE COc1ccc(N2CCN([C@H](c3ccc(C)cc3)[C@@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15018029 QAOANJVZEKVGFE-XRKRLSELSA-N 469.585 4.592 10 10 JJCE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)c1 15834276 JTVRVXLXBCVJSO-RUZDIDTESA-N 491.595 4.584 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc1)CC[C@H](C)C2 20532494 JPSUZRFCIBTOKW-DEOSSOPVSA-N 484.688 4.848 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccccc5C)ccc4n3)CC2)cc1 33260653 GDOCCLIGWROQCL-UHFFFAOYSA-N 496.567 4.829 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33529805 IANKAZHAXQOJHK-LDADJPATSA-N 468.604 4.599 10 10 JJCE Cc1ccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)c(Oc4ccc(C)cc4)cc(N)c2C3=O)cc1 34130097 PLYPLAUCKLLNLL-UHFFFAOYSA-N 480.524 4.992 10 10 JJCE CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)c(C(=O)OCC)c1C 101113841 FTPUCZHWXUXUIO-SFQUDFHCSA-N 469.563 4.745 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N12 104372942 VPNCDFRUSVJQIP-XYTBZZNTSA-N 455.521 4.821 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 210744498 CIGPNWRYYFHUCO-LTGZKZEYSA-N 498.626 4.969 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c1 526160034 VWFBPOCICJLSRN-SANMLTNESA-N 488.540 4.598 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526186551 ZXJAPDYATIUPTE-RUZDIDTESA-N 477.513 4.961 10 10 JJCE Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1084658130 WNCSPZJAZOFRLU-UCQKPKSFSA-N 498.470 4.712 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2cccc(C)c2C)CC1 1860484583 UWJLYRDZLGNKGM-BYYHNAKLSA-N 467.614 4.758 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccc(F)cc1 1860651497 DWTYTQGCFGCBKP-IBGZPJMESA-N 495.576 4.925 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)n(-c2ccccc2OC)c1C 1874189443 DAXZJIQBHCLSGY-UHFFFAOYSA-N 493.604 4.989 10 10 JJCE Cc1c(I)cc(CN=[N+]=[N-])c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887519646 FRXWSZKSBDRIPD-UHFFFAOYSA-N 471.343 4.775 10 10 JJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2079846922 KXXCAPOHSSPLHC-ZDUSSCGKSA-N 451.239 4.712 10 10 JJCE Cc1sc([C@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1Br 2194920293 ZZSKMUYLUDFAHK-KRWDZBQOSA-N 454.434 4.980 10 10 JJCE CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294094851 AGILDBFVGWJULL-HNNXBMFYSA-N 456.926 4.809 10 10 JJCE COC(=O)C1=C(C)N(C(C)C)C(=O)C1=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 2294728479 JTCZUCKCFUGTGY-UHFFFAOYSA-N 457.368 4.938 10 10 JJCE O=C1C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1C[C@H]1CCCO1 2296706072 SWEMPJNLHYGITJ-OAHLLOKOSA-N 471.003 4.637 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)N(C)C)cc1 2323879997 FEIHCFIGLCPVTH-OAQYLSRUSA-N 467.616 4.689 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459137 NHFMTJGYFUJVNX-UZINWLIJSA-N 462.571 4.706 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2)N1CCCC1 14460924 YTOLTDATOCRUSN-HYFFOGBASA-N 475.408 4.766 10 10 JJCE COc1cc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1OC 20058508 KWXVEEYRIGDXCC-CJLVFECKSA-N 452.576 4.637 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCCC)C2=O)cc1OC 40888453 ODALZGPSHFRWND-RGEXLXHISA-N 451.610 4.809 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 210676220 HMVFFFBSKVNBLK-LDADJPATSA-N 454.573 4.522 10 10 JJCE CC(C)[C@@H](C(=O)NC(C)(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606671902 BYWRTOQZGATABY-LTBFUDJGSA-N 455.443 4.590 10 10 JJCE C[C@](I)(c1ccccc1O)N(I)Cc1ccccc1 1088645080 HIBCUFMUJFKUAX-OAHLLOKOSA-N 479.099 4.852 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1OCC 1858589329 NNJVNFFVMGEXPW-XSFVSMFZSA-N 458.561 4.836 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5ccccc5c4)n(C(C)(C)C)n3)CC2)cc1 1869970506 MALXVUCYXWRMNB-UHFFFAOYSA-N 484.604 4.774 10 10 JJCE CCCCCCOc1cn(Cc2ccccn2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870674199 JBLLFVVNTKQQLI-UHFFFAOYSA-N 490.648 4.582 10 10 JJCE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422154 ITRHZCVOQVQIQC-UHFFFAOYSA-N 469.541 4.625 10 10 JJCE CCCn1c(C(=O)Nc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650033 IWIRCBBHHRBWMH-UHFFFAOYSA-N 488.567 4.568 10 10 JJCE O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc3c2N1CC3 1891940133 NQKQZRQJUKPGRG-UHFFFAOYSA-N 480.398 4.753 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])cc1I 2225801156 SBGCXSQWHNTUDQ-UONOGXRCSA-N 471.299 4.599 10 10 JJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296139030 MHJIJHMOYFLUTF-UHFFFAOYSA-N 471.944 4.565 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 2296846604 CVQCTAPTMSWNSH-UHFFFAOYSA-N 488.594 4.609 10 10 JJCE Cc1ccc(Sc2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)cc1 2297352737 RAWWFCDJYNCYJD-UHFFFAOYSA-N 451.577 4.802 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)c1C 2314508747 QHSGOCNTJOHRJT-UHFFFAOYSA-N 451.573 4.713 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccc(C)cc1 2314735995 NNGKRCWSKDEVOL-UHFFFAOYSA-N 491.594 4.524 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)cc1 2314930386 CGYRSGMKZRXYHP-OAHLLOKOSA-N 456.589 4.791 10 10 JJCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 2314932623 XRDHDRNGSSSNKU-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935841 SDSSNOBEAHOEND-LBPRGKRZSA-N 463.964 4.996 10 10 JJCE COC(=O)c1c(NC(=O)C=Cc2cnc(N(C)C)nc2)sc(C)c1-c1ccc(C)c(C)c1 2330057994 QDFFSBIYAQHHOQ-UHFFFAOYSA-N 450.564 4.635 10 10 JJCE CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)sc2c1CCCC2 6492030 CTGPBPBDHXIWHL-SFQUDFHCSA-N 486.640 4.644 10 10 JJCE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14458107 CRWYZXGKKYXQKD-QOAPGFADSA-N 452.620 4.896 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461303 BHSFQANEFHCRNR-PNLZDCPESA-N 457.368 4.748 10 10 JJCE CC[n+]1c(/C=C/C=C2\Sc3ccccc3N2CCCS(=O)(=O)O)sc2ccccc21 27520453 BELIVJAZPCXKSL-UHFFFAOYSA-O 459.638 4.954 10 10 JJCE O=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O)Nc1ccccc1 54201712 LZWNSYDDUHGYDI-JTHBVZDNSA-N 470.554 4.570 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(I)c1O 96481853 NPXPGJSTJOMITF-NVNXTCNLSA-N 482.705 4.855 10 10 JJCE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4cccc(C)c4)s3)=NC2=O)cc1 206386546 YYNIBNFYYRUSLE-GZTJUZNOSA-N 497.627 4.668 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526139640 LOZBCQVCGUVKOL-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526327305 GKVVQXNSZRTWHT-RUZDIDTESA-N 460.530 4.836 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Br)c1O 1865666091 CGNPEILJHBZKHI-VGOFMYFVSA-N 466.129 4.732 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CC[C@H](C)C2 1865770619 AKVCLBVXHZDANZ-MAUKXSAKSA-N 468.619 4.912 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868696455 JLBYNGRSZWKVPE-WXVAWEFUSA-N 479.665 4.802 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419841 DGUUYUJTEJHZNN-UHFFFAOYSA-N 483.490 4.740 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 2296812443 OVMOYJYHLHLLTB-UHFFFAOYSA-N 463.964 4.604 10 10 JJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ncc(Br)cc1Br 2297321587 QIBAIFCRUICZRQ-UHFFFAOYSA-N 470.552 4.979 10 10 JJCE O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1ccc(O)c(Cl)c1 2297350429 PUSWURZZJPNSSL-UHFFFAOYSA-N 483.307 4.944 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 2297482124 OEWDZEZAFLAEFB-UHFFFAOYSA-N 468.531 4.552 10 10 JJCE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S)C(=O)O 2314837862 XQPMTQKQZSOJER-KRWDZBQOSA-N 482.627 4.705 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)C(=Cc3cccnc3)S2)cc1 2314951769 JYEANYSZCZKVQD-HSZRJFAPSA-N 453.571 4.969 10 10 JJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(OC)c(OC)c(OC)c2)SC1=S 3195926 RBISXKRNIXZCRO-MOSHPQCFSA-N 481.599 4.786 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14460993 FBYZAAKFCHKDAJ-GCKMJXCFSA-N 463.397 4.668 10 10 JJCE CCn1c(CCc2ccccc2NS(=O)(=O)c2cccc3nsnc23)nc2ccccc21 33275352 LBKSNCJCMCVTBS-UHFFFAOYSA-N 463.588 4.647 10 10 JJCE COc1ccc(N2CCN(C(=O)/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)CC2)cc1 98053417 LKMRFTUBKCTFQP-QXMHVHEDSA-N 485.415 4.917 10 10 JJCE Cc1nnc(Cc2ccc(NC(=O)CCCN3C(=O)/C(=C\c4cccs4)SC3=S)cc2)o1 206725591 YXPDXPDSBMBERV-QGOAFFKASA-N 484.628 4.650 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4)n3)CC2)cc1 209669610 OSDMONMLTULPTP-ZROIWOOFSA-N 476.602 4.588 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2 226721026 FBYZAAKFCHKDAJ-ZOCZFRKYSA-N 463.397 4.668 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526201980 YVHNRFVYTHQQMZ-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526383507 NIAOYYJUABSGNS-DEOSSOPVSA-N 493.512 4.580 10 10 JJCE O=C(N[C@@H](C(=O)O)c1cccc(Br)c1O)OCC1c2ccccc2-c2ccccc21 642884531 LLLCHDSUXFLBPX-HXUWFJFHSA-N 468.303 4.819 10 10 JJCE O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cc(Br)sc1Br 748684338 BHLQJIXTELHKDE-UHFFFAOYSA-N 481.216 4.592 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c(OC)c1 1084095333 QQGBYPNMQFDBHJ-BKUYFWCQSA-N 489.597 4.559 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(C)(C)C)CC1 1540977537 GJHUACTYBQLQOF-UHFFFAOYSA-N 462.642 4.847 10 10 JJCE CCOC(=O)C(C)(C)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866177846 SUFVWXXZFRJYEO-UHFFFAOYSA-N 468.369 4.800 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(N(C)C)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866423100 GPASYLJZONDDHO-UHFFFAOYSA-N 475.570 4.978 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868387237 WFTJYWHINQQHNF-MRXNPFEDSA-N 478.556 4.795 10 10 JJCE CN(C)Cc1cc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952352905 FEXZSFCNCQZTAF-MUUNZHRXSA-N 474.557 4.682 10 10 JJCE CC[C@H](N=c1[nH]c2c(s1)CN(C(=O)OC(C)(C)C)C2)c1cc(Br)ccc1O 2198511463 UYTKOPXFZDWKAI-ZDUSSCGKSA-N 454.390 4.847 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2296546167 QXQDHCVBCCNBDQ-UHFFFAOYSA-N 496.633 4.861 10 10 JJCE COc1cccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 2296934856 COJVVUWAYOCKDI-UHFFFAOYSA-N 467.550 4.530 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c1 2313557133 VAUJLFBUPDLBNL-UHFFFAOYSA-N 486.524 4.729 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332114956 HORFKYLHBUKWQJ-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1191901 ZFMHQCRVNLJSLA-UNOMPAQXSA-N 466.544 4.677 10 10 JJCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc2NC1=O 11858050 JNUMNQHLHFWQPM-CYBMUJFWSA-N 457.577 4.628 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 15045811 GCSKDVXQBJJZAB-NJPLLEPOSA-N 477.405 4.692 10 10 JJCE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15049007 PDAJNOYWNPQUDG-KPENOIPVSA-N 451.400 4.900 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 16926622 YTGHFVWRHDZYML-JXAWBTAJSA-N 465.593 4.557 10 10 JJCE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 33697577 GIZLNUVBPXQVEI-NDENLUEZSA-N 457.573 4.660 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4F)nc4cc(C(C)(C)C)nn34)CC2)cc1 34833446 QJXCYMDURUNCCC-UHFFFAOYSA-N 487.579 4.804 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S 40928297 BFCVDZRAZLDCGM-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)OCC)C1=O 40938864 BWESNGJXUHGPJQ-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n1-c1ccccc1 62694199 VLADXKGDDWNGGZ-UHFFFAOYSA-N 450.970 4.780 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCn1ccnc1C 1705478430 BGIVEMCKZDHWNN-HXUWFJFHSA-N 455.610 4.796 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1OCC 1858589356 OCRUSZUCBNXDCA-KGENOOAVSA-N 459.589 4.642 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc(Br)c1O 1865667232 MBBSPQQSOMOCDQ-VCHYOVAHSA-N 473.367 4.848 10 10 JJCE COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(C(C)(C)C)c1 1865924776 LSLJKLLCZVPDON-VWLOTQADSA-N 467.654 4.781 10 10 JJCE O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865944407 LQSQXSMNNILPBF-UHFFFAOYSA-N 462.299 4.826 10 10 JJCE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873424814 XGYMNDKGHNFVQV-UHFFFAOYSA-N 459.546 4.712 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CC(C)(C)[C@H]1OCc1ccccc1 1881515283 KHGPEVMZZPICSA-KCWPFWIISA-N 453.627 4.860 10 10 JJCE O=C1C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2053494213 PMUROIMDPOQTME-JTQLQIEISA-N 474.412 4.642 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 2296660082 DJWOYEKRQIJJAG-UHFFFAOYSA-N 452.511 4.833 10 10 JJCE O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296938445 QEMHZVANSKJSSQ-UHFFFAOYSA-N 471.944 4.959 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC2CC(C)(C)NC(C)(C)C2)cc1 2313682798 KVLHERPZYLMRSB-UHFFFAOYSA-N 464.585 4.758 10 10 JJCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314833065 OZIACEZHCGTTJS-HXUWFJFHSA-N 478.595 4.565 10 10 JJCE C/C(NCCc1c[nH]cn1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(Cl)cc1 9972290 DFJWEYYNMWEJMR-XSFVSMFZSA-N 462.966 4.530 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471390 PSSVCHLUKGFNNV-OVCNXMPXSA-N 453.926 4.984 10 10 JJCE COc1cc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)cc(OC)c1OC 33018570 XGKWRLMDTHMDNE-UHFFFAOYSA-N 492.963 4.988 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NCC(C)C)nc12 33915187 UBBYOJQBLDTKNP-LDADJPATSA-N 456.637 4.605 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OCC)C2=O)cc1OCC 40938080 IKGAOKCHGYYARB-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 59861227 CQYHDEASRVHRRW-SXGWCWSVSA-N 489.322 4.760 10 10 JJCE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 107919657 XZVHQTDYBHFMOJ-UHFFFAOYSA-N 486.538 4.546 10 10 JJCE COC(=O)/C=C1/SC(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=NC1=O 229160890 WMJBPIRHGNRHCD-MSMTYKIYSA-N 457.555 4.969 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526352238 DYNREPGGWCPVDX-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 526556771 KXQFAMTYBLRWKR-QFIPXVFZSA-N 469.440 4.841 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC[C@@H]1CC 1705574851 OZXCNGSKAQMNAG-VWLOTQADSA-N 468.649 4.690 10 10 JJCE CSc1ccccc1[C@H]1CCCN1C(=O)[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1 1772633367 VTRDNEOWTJUMQS-NOZRDPDXSA-N 474.630 4.895 10 10 JJCE Cc1cc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)ccc1Br 1860721614 YCKPQBUZZJAUSZ-UHFFFAOYSA-N 462.569 4.607 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)cn2)sc(C)c1-c1ccc(Cl)cc1 1860746732 AMRKZESVOCDZLP-UHFFFAOYSA-N 457.939 4.834 10 10 JJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864009989 HOYHNYVUMSGDQC-VWLOTQADSA-N 498.583 4.602 10 10 JJCE CCCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867823881 FZTWIIQXEINJQC-KAYWLYCHSA-N 478.681 4.693 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3cccs3)C2=O)cc1 1873164241 RXWVXNXAIAABJO-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892125498 ZTMRYTOSWMVFRO-WTWMYVDVSA-N 479.624 4.867 10 10 JJCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)c1 2297335664 AJAYRTOMUAVCDR-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 2297349458 UJOLAPTUTIAJNX-UHFFFAOYSA-N 477.007 4.977 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1 2297560939 AEGZJVBFPOEIEK-UHFFFAOYSA-N 477.611 4.968 10 10 JJCE CC(=O)NCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 12521220 LTSMXGXYRIMSDY-UHFFFAOYSA-N 456.376 4.554 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O 15046484 FZRCDQRGHHUMLN-UEMWTREESA-N 466.506 4.942 10 10 JJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 16911428 OLGUFIVIGADCPU-LFIBNONCSA-N 464.362 4.708 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(NC(C)=O)cc4)nc4ccccc34)CC2)cc1 21662869 YPHVDOVNPBCJHB-UHFFFAOYSA-N 480.568 4.831 10 10 JJCE COc1ccc2nc3ccccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1 33814590 RFQXEGSHKKZBEY-UHFFFAOYSA-N 457.515 4.731 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 39835879 UHMVXPPZLPJMKJ-CPNJWEJPSA-N 475.551 4.790 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54311058 YUGMKYXOLPOVEE-BWKNWUBXSA-N 486.678 4.639 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(Cl)c(Cl)c3)C2=O)c1 62049734 SZTAGQJHQJFQRV-LICLKQGHSA-N 467.399 4.633 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)c(C)n1-c1cccc(Br)c1 105411698 GLOFPMDRWIOHDT-JOCHJYFZSA-N 486.391 4.568 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3ccc(OCc4csc(C)n4)cc3)CC2)cc1 110353244 QZKYPOWQPHWJRU-LFYBBSHMSA-N 463.603 4.838 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526217307 WJBAOSFXUZTFTD-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526612554 XFHAIDDNQNNTDW-RUZDIDTESA-N 475.497 4.765 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526625056 YUGRIUQFIZYOCO-AREMUKBSSA-N 489.524 4.659 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)c2)CC1 1567652568 HAIPTYIHPNKINU-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)/C(=C\c4ccc(Cl)c(Cl)c4)SC3=S)ccc21 1860087762 RZFCLUUPUOQBLR-FRKPEAEDSA-N 451.356 4.754 10 10 JJCE CC[C@H](C)N1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168591 ASHMRNLNVKJHKZ-KRWDZBQOSA-N 467.573 4.639 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 2053496627 DODZAPKQJHIRSC-GOSISDBHSA-N 490.654 4.956 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079037309 HBJFMKDFMQZJSL-CQSZACIVSA-N 494.251 4.697 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079138537 JTLQOGQZGFJKDX-QGZVFWFLSA-N 454.308 4.713 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 2296390054 BJQOGJDHFSZNRS-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1 2297469957 NDNUGDGAZLRKPG-UHFFFAOYSA-N 453.593 4.741 10 10 JJCE O=C1C(=Cc2cc3ccccc3nc2N2CCOCC2)SC(=S)N1Cc1ccc(F)cc1 2314647560 CBEMSXJHCDAYKJ-UHFFFAOYSA-N 465.575 4.612 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@@H](c3ccccc3O)C2)cc1 2314951967 OVIAJHSUJLQYEU-OAQYLSRUSA-N 456.527 4.617 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1OC 2323679899 LDIKYWXORLTCDK-SFHVURJKSA-N 487.599 4.910 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CCC(=O)O)C1=O 2323796035 OINURKKQJDVNNR-UHFFFAOYSA-N 477.917 4.806 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)C2=Cc2ccc(O)cc2O)cc1 2332095921 GIRULEBPGXEHFE-UHFFFAOYSA-N 452.869 4.729 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 1857198 DODZAPKQJHIRSC-ISPGYRLHSA-N 490.654 4.956 10 10 JJCE O=C(O)c1cccc(Nc2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)c1 2494288 KJUIZBVQVBCYQY-UHFFFAOYSA-N 497.507 4.824 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 16922716 VLABPVUCAUIGCF-ATVHPVEESA-N 492.525 4.606 10 10 JJCE CC(=O)Nc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526394058 KUYYCYMOIVLZLC-QFIPXVFZSA-N 450.878 4.767 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)C1 1741014660 NEYCQKBJAYIDEC-KRWDZBQOSA-N 491.086 4.542 10 10 JJCE CC(C)C[C@H](C(=O)N1CCn2c3c(c4ccccc42)CCC[C@@H]31)N1C(=O)c2ccccc2C1=O 1858183499 FTCOQVZVRDBHSV-BJKOFHAPSA-N 455.558 4.572 10 10 JJCE O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 1858590895 NBXYYHQMMLBKHU-OVCLIPMQSA-N 452.326 4.688 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccccc1 1860664790 BNUOYDRNCJMHCO-NRFANRHFSA-N 491.613 4.715 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860748598 HMXXJFCSVKSZLU-UHFFFAOYSA-N 452.532 4.713 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(C(=O)O)c2I)cc1C 2079970762 XDWYKVULHBZCAP-KRWDZBQOSA-N 454.308 4.631 10 10 JJCE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080053144 RMOAQVUYPHTSST-QGZVFWFLSA-N 468.335 4.701 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2296546102 NCJUXNJMGOTJNK-UHFFFAOYSA-N 492.670 4.765 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 2296910964 NEKZULUNNIXRGL-UHFFFAOYSA-N 469.541 4.587 10 10 JJCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314836118 AHTRJBWWKSTDFJ-KRWDZBQOSA-N 498.626 4.830 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1 14473394 XBTSUDPRLRRESF-SEYDDUDXSA-N 489.981 4.532 10 10 JJCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 16907853 XRDHDRNGSSSNKU-LFIBNONCSA-N 464.362 4.708 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 39835626 VCUKVGCCYIRINX-NBVRZTHBSA-N 451.573 4.660 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCc2cccs2)cc1 205965432 RONZMRYTGKDJER-CJLVFECKSA-N 462.531 4.522 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(C(F)(F)F)cc4c3=O)cccc21 1866470713 QISIHGCBRLTVGB-UHFFFAOYSA-N 462.383 4.575 10 10 JJCE O=C(NCCNCc1ccc(Br)cc1O)OCC1c2ccccc2-c2ccccc21 1954826441 HILNGOLQWAOARK-UHFFFAOYSA-N 467.363 4.783 10 10 JJCE O=C(O)c1cccc(/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc23)c1 2037521387 ZSXZSNNAEVDPNL-CYYJNZCTSA-N 468.466 4.605 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2080008708 UWWOCWLUGDRPFO-MRXNPFEDSA-N 468.335 4.805 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1 2293347126 MYSKVOMYAORJKY-UHFFFAOYSA-N 485.363 4.676 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 2297347708 VROYXDUMEAZGGX-UHFFFAOYSA-N 481.936 4.874 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4ccc(N(C)C)c(Br)c4)C(=O)N=C3S2)c1 2297500052 HJUHAOQPSBESMP-UHFFFAOYSA-N 498.406 4.522 10 10 JJCE Cc1c(NC(=O)CCCN2C(=O)S/C(=C\c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C 1236314 SWHQZQWTTBYIIW-SILNSSARSA-N 492.626 4.740 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccc(F)c3)CC2)cc1 20289462 HQMLFIBECLEWKO-KOSHJBKYSA-N 453.583 4.578 10 10 JJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 20697468 JXUYRSJHQZUIRI-WDGUNVFXSA-N 481.662 4.817 10 10 JJCE COc1ccc([C@H]2CN(Cc3ccc(OC)cc3O)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 34699372 ILVAQNHNQBAJHN-RBJSKKJNSA-N 492.591 4.813 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccc(O)cc4)S3)[C@H](c3ccccc3O)C2)cc1 54201386 URZFBKNFPXHJLE-XYUXXQEKSA-N 471.538 4.928 10 10 JJCE COc1ccc(N2CCCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)CC2)cc1 108884147 VOKCYSVHGLPMNW-UHFFFAOYSA-N 462.512 4.501 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526278280 XDUVEUSYQNJXIO-QFIPXVFZSA-N 465.889 4.985 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 1083911042 YBYIZXJAUARHKQ-LFIBNONCSA-N 457.269 4.928 10 10 JJCE CCOC(=O)c1c(NC(=O)c2csc3ncn(CC)c(=O)c23)sc(C)c1-c1ccccc1 1860403364 KCMYFRHBKGIPND-UHFFFAOYSA-N 467.572 4.944 10 10 JJCE COC(=O)CCCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1865979094 ZDVKPHIJHCDBIH-UHFFFAOYSA-N 454.342 4.554 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867110870 KZYJZLOIMMUECE-YVGXBJCXSA-N 498.579 4.888 10 10 JJCE Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867900553 ABZJBCOGZOPULL-FQLXRVMXSA-N 498.671 4.876 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869159550 UXHCDRZONNGTMX-NRFANRHFSA-N 495.631 4.634 10 10 JJCE CC(C)CCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871253406 YJSDCTIUVOXKQY-UHFFFAOYSA-N 490.648 4.961 10 10 JJCE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873422968 YSBGDUAUYJRJTQ-UHFFFAOYSA-N 456.546 4.655 10 10 JJCE CO[C@H](c1cccc2c1ccn2C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952353491 GMLWWIVNVISNBB-IZZNHLLZSA-N 470.525 4.858 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079063367 GYFAEWPPQXJIRB-OAHLLOKOSA-N 476.261 4.615 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(N)c2I)C(C)(C)C)c(O)c1 2079855527 OBFXVAHITVFGBB-INIZCTEOSA-N 457.356 4.717 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2294100515 YBMBSXKXWULRGO-UHFFFAOYSA-N 455.239 4.515 10 10 JJCE CCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 2296711225 DJUNLIWXBXEPGD-UHFFFAOYSA-N 473.417 4.977 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C 2296754908 QNGFHHBTUOVCHG-UHFFFAOYSA-N 478.574 4.737 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(I)cc3)SC2=S)cc1 2297242745 IUIRGIFVTMVMAM-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)N(CCO)Cc1ccccc1 2297554497 AGFNYBUDDLKMPW-UHFFFAOYSA-N 474.673 4.531 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2cc([N+](=O)[O-])ccc2C)cc1 2313683627 LETWEVSQUWTRMB-UHFFFAOYSA-N 487.472 4.957 10 10 JJCE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S 2314486317 KDINQGVCCRDIAZ-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471736 MCQFLKVBDSIDTP-LGVFNWMJSA-N 453.564 4.842 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc(I)c1O 27501311 GLOQNNFAOYOKCO-CHHVJCJISA-N 482.705 4.855 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 206882674 CDLUMLWKKUIQDZ-HMMYKYKNSA-N 456.589 4.810 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526257898 STHUFJCWQCJQGS-XMMPIXPASA-N 475.497 4.730 10 10 JJCE O=C(CCc1ncc(-c2ccc(F)c(F)c2)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859707291 OQNRAQPIWHDUDT-UHFFFAOYSA-N 458.420 4.967 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1Cl 1860344738 CEPVUAJMIRQNSG-UHFFFAOYSA-N 454.917 4.866 10 10 JJCE CCc1sc(NC(=O)CCCC(=O)OC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865978777 NLTCYFVRHOUEOP-UHFFFAOYSA-N 468.369 4.808 10 10 JJCE CCCCCOc1cn(CCCOC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678352 SSIWWURNTQRWJC-UHFFFAOYSA-N 485.669 4.563 10 10 JJCE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873168745 IDCIJMOBJBFPHU-UHFFFAOYSA-N 469.585 4.622 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cccc(O)c2O)CC1 1951846453 YALHWDDVRQCMGU-SANMLTNESA-N 459.498 4.511 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2CC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163130469 HUASLYRTIBWRSP-AZGAKELHSA-N 466.670 4.745 10 10 JJCE CC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1NC(=O)OC(C)(C)C 2163168349 YDOCXQNPWYOMLE-LAUBAEHRSA-N 474.646 4.692 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 2294279902 DJCGTIHUFOKNBQ-UHFFFAOYSA-N 481.577 4.838 10 10 JJCE O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)SC1=Cc1c[nH]nc1-c1ccccc1 2296147191 JXYLYYXIHFSDEO-UHFFFAOYSA-N 483.519 4.888 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314754474 SXGKCEAEQUJBIL-UHFFFAOYSA-N 458.399 4.694 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OCC 2314765298 ZWVZSZXXMVJIFZ-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)c1 2321755795 KVLPTYSYAKLAIF-UHFFFAOYSA-N 454.618 4.836 10 10 JJCE CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cs1 10485580 NBPYRRZDBURNJN-UHFFFAOYSA-N 497.532 4.542 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469334 CYLGDZYOSVDCTC-BERHBOFZSA-N 477.605 4.519 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15038467 CQAVAJPZJJSGDS-FXBPSFAMSA-N 498.626 4.831 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Br)cc2)[C@H]2CC=C[C@@H]32)CC1 20680890 KLXMIGAOBRGBSZ-XQBPLPMBSA-N 452.396 4.663 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490850 UUJYOYZJUBAOPY-DEDYPNTBSA-N 478.643 4.515 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 34256800 WMMCTGBVEYMRKO-PXLXIMEGSA-N 478.505 4.786 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 59861094 VYLVNIXTQBDCMF-BKUYFWCQSA-N 476.460 4.929 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C\c3cccnc3)S2)cc1 206382270 JYEANYSZCZKVQD-GVFUYMABSA-N 453.571 4.969 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526190161 IJEPVPJWXHXGAF-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526343805 LUYADIVSFDVYOI-VWLOTQADSA-N 477.513 4.959 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3CCC(C(=O)N4CCCCC4)CC3)c2C)c1 763578307 MMSZIZLZVVIQDG-UHFFFAOYSA-N 453.652 4.723 10 10 JJCE CCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871661855 FRQIGGPPWARBIC-UHFFFAOYSA-N 482.032 4.546 10 10 JJCE Cc1ccc(C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427763 ZTNZWPZLHUWKSC-UHFFFAOYSA-N 482.628 4.997 10 10 JJCE CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2296881415 GFJMJADENDIKTQ-UHFFFAOYSA-N 482.627 4.834 10 10 JJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1 2297468195 FVNMTLPVWMQJFO-UHFFFAOYSA-N 461.469 4.674 10 10 JJCE Cc1cc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)ccc1[N+](=O)[O-] 2321742517 RSXJDWZBNGCZIT-UHFFFAOYSA-N 450.954 4.980 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4n3CCC(C)C)CC2)cc1 22134086 IGMDXIKONNJMRW-UHFFFAOYSA-N 452.624 4.532 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 207316994 WDPJXYROXSEBBO-CPNJWEJPSA-N 478.599 4.892 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 210698952 RKZYENIUWXHFDR-XMHGGMMESA-N 468.600 4.912 10 10 JJCE CCCCCCSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261362140 CGVKEOIMSPBQMJ-VWLOTQADSA-O 478.642 4.789 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526515885 PYVRLYLWJNWXGA-VWLOTQADSA-N 489.524 4.976 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 1860076466 BDLIQEPGTOLSPS-KGENOOAVSA-N 454.617 4.956 10 10 JJCE Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860549508 JUWVFWCASZOYMC-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCc2ccccc2Cl)sc(C)c1-c1ccc(C)cc1 1860761389 TVJRVDQYLSKYIC-UHFFFAOYSA-N 456.951 4.727 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(C)cc1 1860761481 VPKAEVGASHAWOL-XIVBQZFQSA-N 454.592 4.698 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868865542 KSKSOADXNQQNFN-HXOBKFHXSA-N 492.447 4.595 10 10 JJCE CCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871664810 HUKPZVDKEUCAJP-UHFFFAOYSA-N 496.059 4.936 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(C(=O)OC(C)C)cc4)cc3)CC2)cc1 1872884321 QOXIGTDAKFNXAG-UHFFFAOYSA-N 487.600 4.835 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168458 WFZCFHOHJCFTNU-PXDATVDWSA-N 469.585 4.704 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1OC 1873423394 CQHYNWJYJGGDQQ-UHFFFAOYSA-N 459.546 4.712 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)c(O)c(O)c2)C1 1952453313 XSGRCVYUCLWTJD-IVZQSRNASA-N 475.497 4.590 10 10 JJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 2296233739 MZNNTXBUFPNTJA-UHFFFAOYSA-N 481.552 4.705 10 10 JJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2296711346 OTTHMJNOCHRXAL-UHFFFAOYSA-N 453.427 4.967 10 10 JJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2297341182 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COc1cc(Br)c(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1OC 33323439 JVIGGADLILQZSW-NVNXTCNLSA-N 459.296 4.590 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526369166 YOCHBOSEFZUUBK-AREMUKBSSA-N 473.573 4.893 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4c(F)cc(F)cc4F)n(-c4ccccc4)n3)CC2)cc1 1862344960 PKFHTRBTNPSDPJ-UHFFFAOYSA-N 492.501 4.928 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869268032 BPJWGLYNVXRZOZ-HXUWFJFHSA-N 491.611 4.622 10 10 JJCE O=C(N[C@@]1(c2c(O)cccc2Br)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952859079 NEWMSKAZOYVDNO-DFBJGRDBSA-N 494.341 4.993 10 10 JJCE C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2192617792 NGWRVHVQPQDRRL-FQEVSTJZSA-N 467.610 4.519 10 10 JJCE Cc1ccc(C2=NN3C(=N)C(=Cc4c(Cl)nn(-c5ccccc5)c4C)C(=O)N=C3S2)cc1 2293320801 NYSYTPADBSXBFL-UHFFFAOYSA-N 460.950 4.810 10 10 JJCE Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2SC(=S)N(C)C2=O)cc1 2293456977 WDHKRGFGXZYPNE-UHFFFAOYSA-N 474.412 4.901 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296705139 VYTGRRSHBWQMPG-INIZCTEOSA-N 494.642 4.623 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 2296720224 ALOGGYZHEGISPI-UHFFFAOYSA-N 461.524 4.571 10 10 JJCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2297559125 QJRGGNRLJLSARJ-UHFFFAOYSA-N 488.308 4.993 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314767939 JDNUWHKDBBKDQQ-HXUWFJFHSA-N 487.599 4.608 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 40321358 FRYORJXVDLDIHG-UHFFFAOYSA-N 464.543 4.614 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3c(C)c(C)ccc23)[C@H]2CCS(=O)(=O)C2)cc1 54362175 SYOLIUMVENCDDH-DEOSSOPVSA-N 482.646 4.654 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 102471251 HZTNQYVJJVMCRZ-JCMHNJIXSA-N 485.341 4.763 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCCC(C)C)c(OCC)c2)SC1=S 206842092 IAIHNNMOFCXTIJ-RGEXLXHISA-N 451.610 4.665 10 10 JJCE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 727478983 XAGPFICLCZQGQE-QHCPKHFHSA-N 452.986 4.598 10 10 JJCE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1150536923 UGFHVVLQTKOJRZ-QYBDOPJKSA-N 458.558 4.962 10 10 JJCE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1858033477 CFNQBUAKIRQDLA-UHFFFAOYSA-N 451.544 4.787 10 10 JJCE Cc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1C 1860505928 SRXSBNNAUJLFER-UHFFFAOYSA-N 475.504 4.978 10 10 JJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951871493 IWFHWGHUBIOACO-QHCPKHFHSA-N 476.485 4.991 10 10 JJCE Oc1ccc(Br)cc1Cn1ncc(-c2ccccc2)c1I 2070259816 MFLAHOSEKGUFDM-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE CN1CCCc2cc([C@@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163155667 ZBEUGNULRMIUIE-NAKRPHOHSA-N 465.638 4.913 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 2293328924 BZMUOPFETULKNO-UHFFFAOYSA-N 486.568 4.912 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2294229423 SCQUBMCIQPMHEO-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE Cc1c(C=Cc2nc3ccc(I)cc3c(=O)n2C)c2ccccc2n1C 2296754940 VOCBLXCZGTZLCA-UHFFFAOYSA-N 455.299 4.509 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl 2297341918 KHFSAHADHMBTTO-UHFFFAOYSA-N 492.915 4.690 10 10 JJCE CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)sc2c1 2297511529 DWZDRMLMFPHLJS-UHFFFAOYSA-N 457.353 4.598 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 2297624453 NOAJXYJQXDUMJS-UHFFFAOYSA-N 467.890 4.648 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 2314563169 NJPQPDGPKNKNQW-UHFFFAOYSA-N 457.577 4.974 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O 14456933 JJMMWJJJPZLNSW-ZYLNGJIFSA-N 454.592 4.838 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1O 14459682 BTXSYNVSALDCOG-UNVFRBQDSA-N 474.582 4.979 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 39983428 APGPGBWJRQYGQK-VNRULFPQSA-N 479.627 4.659 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCOCC3)nc12 208279568 UFHUEFBMYHZOID-OQKWZONESA-N 475.639 4.824 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526444904 GBURCEXMKPCGRF-VWLOTQADSA-N 477.513 4.961 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)[C@H]([C@@H]2SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S 606672021 KUQNBMNICUXVFU-DACLVMHWSA-N 472.682 4.967 10 10 JJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 1084456331 ZADFYSKJSWTCIC-YVNNLAQVSA-N 470.525 4.550 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC(C)CC1 1705574560 HBYBCIZNSQZWLW-XMMPIXPASA-N 468.649 4.546 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)sc(C)c1-c1ccc(F)cc1 1860746995 OFWJVQUWJRDNBI-UHFFFAOYSA-N 493.560 4.818 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)c2)c1 1860887117 BKNHYETXGKLNLO-HSZRJFAPSA-N 456.590 4.856 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(OC)cc2)cc1 1862374478 UNOILUFNHGTMKE-UHFFFAOYSA-N 498.583 4.528 10 10 JJCE CCCC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684943 YKGCFDQXRRTPLE-NLFFAJNJSA-N 486.056 4.866 10 10 JJCE Oc1c(Cn2nc(I)c(Cl)c2C(F)(F)F)cccc1C(F)(F)F 2079184730 GEMAUMJNRRWJAF-UHFFFAOYSA-N 470.538 4.933 10 10 JJCE Cc1ccccc1N1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 2296132887 OEZSEWRRFBJOJS-UHFFFAOYSA-N 451.551 4.829 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1Cl 2296397878 DQXKTSXTZBTHPK-UHFFFAOYSA-N 484.339 4.849 10 10 JJCE COc1cccc(C=C2SC(NC(C)=O)=NC2=O)c1OCc1ccc(Cl)cc1Cl 2296739193 AQZQZYJUJBSWLF-UHFFFAOYSA-N 451.331 4.687 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)cc2)cc1 2843987 LYLPQNZNLHVTAM-JJIBRWJFSA-N 488.496 4.668 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)c(Br)cc1OCC(=O)O 13915503 DALYITIKOFITFF-RIYZIHGNSA-N 493.741 4.771 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O 14459525 CGTUPXZIFAKIDH-ISJBWFOZSA-N 476.598 4.748 10 10 JJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475904 FHOPMMGBFLXLCQ-OHUGHZGNSA-N 477.542 4.952 10 10 JJCE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 33436659 FRYBWYFTGRUQNN-ZDLGFXPLSA-N 463.964 4.696 10 10 JJCE O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)C(O)=NC(=S)N1c1ccccc1 34138217 YCFBJQFVJAUWAM-WDZFZDKYSA-N 482.153 4.589 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 35190561 RETWOFPUKCRNGV-MOHJPFBDSA-N 472.541 4.703 10 10 JJCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(CCCCC(=O)O)C3=O)cc2)cc1 39868076 AIOCXQBTMCAMGX-SUKHYTALSA-N 497.594 4.770 10 10 JJCE COc1ccc(-n2c(C)cc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2C)cc1 108607390 NCKONZVVCGZLHN-UHFFFAOYSA-N 472.511 4.915 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526173424 KASXZXITSZLOSP-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1O 1645927548 YOFVNXLTHQGVEB-GOTSBHOMSA-N 456.970 4.775 10 10 JJCE COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1Cl 1860344946 JSOOXGFGCODQBX-UHFFFAOYSA-N 484.943 4.875 10 10 JJCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)s2)cc1 1871279353 RDUYXNJNXJSOQC-UHFFFAOYSA-N 487.558 4.917 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873166768 YNHFGQMPBWGNKG-VWLOTQADSA-N 473.617 4.833 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425166 WOWPSBRDDZBVLU-FQEVSTJZSA-N 498.627 4.921 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4sccc4C)cc3)CC2)cc1 1874742650 VEULKXKIRUMHEW-UHFFFAOYSA-N 464.587 4.679 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2040469280 IZAJWGYPNCPOCR-SFHVURJKSA-N 490.654 4.641 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2294216819 CLGMQLLVHAOORG-UHFFFAOYSA-N 480.958 4.792 10 10 JJCE Cc1ccc(OCCOc2ccc(Br)cc2C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2296660079 CTZPUGZRBWFPPO-UHFFFAOYSA-N 493.357 4.677 10 10 JJCE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C)C2=O)c1 2296849773 RCNHNHZJRRBGHD-UHFFFAOYSA-N 451.573 4.750 10 10 JJCE CCOC(=O)c1c(NC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)sc(C)c1C 2296885252 LIYBBWNUROIYNY-UHFFFAOYSA-N 478.592 4.521 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccccc3)N=C2C)c1 2297532130 UJQJLSNGAFFKQJ-UHFFFAOYSA-N 492.539 4.829 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 2314487921 LHWFUVWWQJWDAT-HDICACEKSA-N 474.586 4.627 10 10 JJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)Nc5cc(OC)cc(OC)c5)cc34)CC2)cc1 65001940 VBSDVLCLSLZCPL-UHFFFAOYSA-N 498.583 4.840 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 206384519 VLLJWUQDWMEMRY-LPHATQMZSA-N 483.597 4.978 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)on2)cc1 206727332 ARXKNLKBYAEIGE-XDHOZWIPSA-N 469.613 4.619 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCCC(=O)O 210445191 ARDZNYSOFUSMKS-YVLHZVERSA-N 483.489 4.973 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 210695848 FQTLQGCNGMJZCN-MHWRWJLKSA-N 452.479 4.641 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526226579 JEVOBJDMYVBXNH-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ccc21 1860589488 KJZDAUAKQNBZQP-UHFFFAOYSA-N 486.955 4.535 10 10 JJCE C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867856593 XBOWPPUFQMCTLW-HFZDXXHNSA-N 478.681 4.512 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4ccccc4nc32)n1 1869117655 AYCOFLKCRXDYFU-UHFFFAOYSA-N 466.589 4.617 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1I 2079949900 BFGCLTHIRSZDJA-HNNXBMFYSA-N 456.324 4.549 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080004037 VIEGJBGGMMCJKU-GOSISDBHSA-N 496.345 4.646 10 10 JJCE CC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 2095811352 NFZSFPZZICHKBP-NRFANRHFSA-N 450.627 4.663 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 2314835346 FSSUXLAXRQHJDS-UHFFFAOYSA-N 482.505 4.610 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1OC 2323679918 MWYQOVMNNKFQQF-KRWDZBQOSA-N 473.572 4.607 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1OC 2323790299 JUTZROWAWHVFFM-UHFFFAOYSA-N 464.952 4.709 10 10 JJCE CCOc1cc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)ccc1OCCC(=O)O 16920135 SDBNLMUZZXBNRT-LDADJPATSA-N 491.363 4.784 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)cc1 20210791 SIHJDPTUPGRJAQ-NSTMVBSBSA-N 459.506 4.683 10 10 JJCE C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H](CC)CCCC)C1=O 33498161 IKUIQRJKZDHSBQ-VVZNPABPSA-N 456.637 4.710 10 10 JJCE Cc1ccc(N2C(=O)S/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=S)cc1 33568236 YWNPTMJYWOEHRC-UNOMPAQXSA-N 456.570 4.944 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1O 226711744 HDFKNRIDOXPGAV-YDIMBITNSA-N 454.592 4.792 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1O 226722437 CGTUPXZIFAKIDH-YZIHRLCOSA-N 476.598 4.748 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526623252 YOPVSEWFIAYTFJ-AREMUKBSSA-N 472.541 4.534 10 10 JJCE CCN(CC)C(=O)[C@@H](C(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156843 LADXTTAIAHTFBH-RBFDBLARSA-N 455.443 4.543 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)nnn2C1CCCCC1 1859765853 LCJHOIKUOQKKNT-UHFFFAOYSA-N 450.498 4.964 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424668 IGYJTELBGADHPH-UHFFFAOYSA-N 496.615 4.504 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2196843176 PQEJFAKPSUBYSP-RXFWQSSRSA-N 476.662 4.510 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCOCC3)nc12 2314648297 UFHUEFBMYHZOID-UHFFFAOYSA-N 475.639 4.824 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 2381821 ABPIYVPRZQXCFF-LGMDPLHJSA-N 460.602 4.847 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1OC 14479320 KGINYTSOXMATQC-YPCDYVTLSA-N 468.619 4.951 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2OC)c1 20071349 JPNTVUWFCMRXSR-RXFWQSSRSA-N 462.502 4.669 10 10 JJCE O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)cc1 33314346 USDDOGIVVBFMAB-GZTJUZNOSA-N 470.359 4.692 10 10 JJCE CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)OC)cc4)N=C3C)o2)c1 33691111 ULUOBSLVGYHDJC-PXLXIMEGSA-N 458.470 4.716 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)OCC)C2=O)cc1OCC 206841553 IKGAOKCHGYYARB-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CCN(CC)C(=O)[C@@H](C(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606672037 LADXTTAIAHTFBH-UVQBRAAOSA-N 455.443 4.543 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)sc(C)c1-c1ccc(C)cc1 1866068325 OXUXJMWQVZVLGF-UHFFFAOYSA-N 490.537 4.684 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873168462 WHHDCHDMLKZNSF-IBGZPJMESA-N 487.600 4.650 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419436 FJCSCANLDZHDKJ-NRFANRHFSA-N 477.511 4.743 10 10 JJCE O=C(NC[C@H](NCc1cc(Cl)cc(Br)c1O)C(F)(F)F)OCc1ccccc1 2029881811 QGHGKXVUSDCQFD-HNNXBMFYSA-N 481.696 4.755 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2078995269 UNBITYYHJVCQSC-SFHVURJKSA-N 466.319 4.555 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080012479 PNURCXFPRKZLQH-GOSISDBHSA-N 468.379 4.989 10 10 JJCE CCCN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2090038767 ADRLABRYHTYUSJ-XMMPIXPASA-N 453.627 4.992 10 10 JJCE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1c1cccc(F)c1 2293768984 DZDYUXSRIJHSHB-UHFFFAOYSA-N 457.289 4.542 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 2297317107 ZRKCGDXFQOGYBZ-UHFFFAOYSA-N 463.515 4.560 10 10 JJCE Cc1ccccc1C1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 2297344274 ZEQVSIBIDBOXJP-UHFFFAOYSA-N 457.471 4.831 10 10 JJCE O=C1NC(=O)c2cc(-c3ccc(C=C4C(=O)N(c5ccccc5)N=C4c4ccccc4)o3)ccc21 2297363578 DYRUSRXIHUVXAG-UHFFFAOYSA-N 459.461 4.665 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2313631605 SRWMBLVMPCIWCV-UHFFFAOYSA-N 471.557 4.905 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 2314760412 JMWACIJAAXNWRL-UHFFFAOYSA-N 460.621 4.528 10 10 JJCE Cc1cccc(NC(=O)CCN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c1 2314829176 ZFAYYGNCHIMKHN-UHFFFAOYSA-N 477.405 4.693 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc(Cl)ccc1O 2314936302 WYIZSPMNNXFCTC-UHFFFAOYSA-N 484.933 4.877 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 20236479 ZCDLUAOEDSSRRG-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 27515538 ZZFDIUABVDDFIM-XQNSMLJCSA-N 474.542 4.956 10 10 JJCE COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 33690118 GVISBBDMUJJWKI-WJDWOHSUSA-N 457.269 4.501 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526228275 ZNCVNJUNRBABDR-VWLOTQADSA-N 493.512 4.580 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 1634074021 HSRTVQJBLKYYQP-SANMLTNESA-N 459.615 4.505 10 10 JJCE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(C)C)CC1 1690797655 KTSVRGLIHKQMAC-UHFFFAOYSA-N 462.642 4.703 10 10 JJCE O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1c1ccc(I)cc1 1860074754 JWKITKSOJCVBCL-RIYZIHGNSA-N 459.280 4.975 10 10 JJCE Cc1c(CCC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 1860279981 JLQLJGJPZXLXHR-UHFFFAOYSA-N 475.541 4.738 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc21 1860590060 MUNQZAOZCCWIAI-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE COC(=O)c1cccc(Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 1860826162 BQDNQLITUHHOKR-FYJGNVAPSA-N 494.594 4.542 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCC(C)C)CC2)cc1 1870466657 JKXFXWRAWMFJCV-UHFFFAOYSA-N 475.633 4.804 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873167482 JGVJLNIKCRSCRO-UHFFFAOYSA-N 486.660 4.748 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CCCN(Cc2ccccc2)CC1 1881515605 LNLRODGYEGKZOA-HHHXNRCGSA-N 452.643 4.531 10 10 JJCE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848198 DXAFBKHFJUOGSS-MRXNPFEDSA-N 456.324 4.557 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(CO)c2I)cc1C 2079987523 XNLMTXZCLRNXRC-IBGZPJMESA-N 452.336 4.569 10 10 JJCE CN[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccc(N(C)C)cc1 2163139108 VEVGLLXDRJQMLU-RUZDIDTESA-N 466.670 4.963 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NCC(C)C)nc12 2296732307 UBBYOJQBLDTKNP-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(F)cc1 2313560154 LHAURIXMSXRSHP-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE COc1cc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)c(OC)cc1Cl 2321629441 WXDZUTDISJJGGQ-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc(Br)c1O 2332107186 YCESLIBLLNXNNN-UHFFFAOYSA-N 453.695 4.758 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332115146 UFNXGZYKYFQCHS-UHFFFAOYSA-N 472.541 4.860 10 10 JJCE O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1ccc2ccccc2c1 15056201 JEYZOGGYQMQCHO-ODLFYWEKSA-N 454.960 5.000 10 10 JJCE COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)c1 33314386 YNUOKRCJNDKNNK-LDADJPATSA-N 484.386 4.780 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OCc1ccc(F)cc1 33315657 UBLIFNJDAKOIQP-BKUYFWCQSA-N 460.461 4.916 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850203 SAWXJXVYFJHNSD-HMAPJEAMSA-N 493.610 4.896 10 10 JJCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1cc(OC)ccc1OC)c1ccccc1 65080353 LTXFJEMOLHENNC-UHFFFAOYSA-N 485.540 4.956 10 10 JJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 83310445 KATZXUVMHFTSOJ-KMBIYUNPSA-N 491.569 4.779 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)N2CCCC2)CC1 108063688 MLOKQIMLQLFOSU-AREMUKBSSA-N 457.574 4.679 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 251392550 WWSSEASKGPPCOT-UDQIJZATSA-N 472.607 4.616 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526190475 MUKFFFUOEVKXHV-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865927623 YBAGSEVZVSULTG-OAHLLOKOSA-N 493.423 4.858 10 10 JJCE COc1ccc(N2CCN(C(=O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1 1866312795 YRWVRWGUIZKHNP-NCELDCMTSA-N 458.558 4.602 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873169768 VCBKZKKOYHKMTG-UHFFFAOYSA-N 488.676 4.971 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(Cl)cc(Br)c2O)C1 1952539569 WBHOKCHVOUOCBW-SUMWQHHRSA-N 468.731 4.983 10 10 JJCE COc1cccc(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c1O 2079718672 ZYWMXXUBLGDXQM-UHFFFAOYSA-N 454.230 4.567 10 10 JJCE CN[C@@H](c1ccc(N2CCCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163156514 RDLZEMVXRKYKGK-FTJBHMTQSA-N 466.670 4.963 10 10 JJCE Cc1ccc(COc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2296056459 NALNZWPGIYVSLF-UHFFFAOYSA-N 453.527 4.636 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2296554975 DUDXZYLGXTZTGT-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCOC)C2=O)cc1F 2296709395 ARFLUXPDWGLWPL-UHFFFAOYSA-N 483.590 4.925 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccccc1 2297554773 ZQZIDPFBQPTZBU-UHFFFAOYSA-N 481.551 4.674 10 10 JJCE COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 2313548495 WHPULDFZXMIURM-UHFFFAOYSA-N 456.542 4.829 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314506213 BWLWHAPYEYKXDH-UHFFFAOYSA-N 451.573 4.715 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1ccccc1C(F)(F)F 2314828453 UTWGNFOJSLSKRH-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc1)CC[C@H](C)C2 9151454 URQWFZPQZAIKAR-QFIPXVFZSA-N 488.651 4.992 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O 14459524 CGTUPXZIFAKIDH-WOVHNISZSA-N 476.598 4.748 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475934 GGEAYAAODCGXKR-YDIMBITNSA-N 471.579 4.938 10 10 JJCE CCc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1 34683973 WIUZKOYYPXNGJJ-UHFFFAOYSA-N 450.604 4.815 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526328477 OPLXXTATIZPOOG-VWLOTQADSA-N 460.530 4.836 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526625058 YUGRIUQFIZYOCO-SANMLTNESA-N 489.524 4.659 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526631842 HZEGFVZXPKYAQC-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE O=C(N[C@H](C(=O)O)c1cc(O)cc(Br)c1O)OCC1c2ccccc2-c2ccccc21 642885087 YQJXGJKLAITXRO-FQEVSTJZSA-N 484.302 4.525 10 10 JJCE Brc1cc(CNCC2(N3CCOCC3)CCCCC2)ccc1N1CCCCC1 1308188446 QSDXZSZMPGZGRC-UHFFFAOYSA-N 450.465 4.564 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(Cl)cn4)c4ccccc34)[C@H]21 1860344711 ADERNJPZCFBIGP-SANMLTNESA-N 485.975 4.865 10 10 JJCE O=C(CCNCc1cccc(Cl)c1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860712311 QJDWBGIDQUKAJS-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)sc(C)c1-c1ccccc1 1866114153 MNYQPWTWAKXMRQ-NRFANRHFSA-N 475.570 4.677 10 10 JJCE CCN(CC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867982347 ZCJSIDRZXCYKLV-UHFFFAOYSA-N 452.002 4.978 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714713 TUGNFJURRCQHRT-IRPSRAIASA-N 497.655 4.906 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425404 XEIOLDYBIRGUOS-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 2293308730 FDHVOUJGKDQMTK-UHFFFAOYSA-N 458.561 4.839 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1Cl 2294118614 FMMPCJXTEZNEOX-UHFFFAOYSA-N 490.899 4.592 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 2294199181 AGKHHWLJJIPFDP-UHFFFAOYSA-N 472.566 4.722 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1 2294353245 IRVRMOUMRAIYRK-UHFFFAOYSA-N 462.546 4.767 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC 2296808029 MGEZRTYKBHBTNE-UHFFFAOYSA-N 466.378 4.881 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 2296879829 FHAVOCNGRNMOKU-UHFFFAOYSA-N 450.944 4.718 10 10 JJCE Cc1[nH]c2ccc(Br)cc2c1C=C1C(=O)NC(=S)N(c2ccccc2Cl)C1=O 2297361757 BREYEVXYUDDVLE-UHFFFAOYSA-N 474.767 4.724 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S 2323809169 GJBMZWBWMIHSKY-OAHLLOKOSA-N 454.356 4.596 10 10 JJCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccc(Cl)cc1 15056208 SKTCAWHUVKUCPD-NVNXTCNLSA-N 483.796 4.609 10 10 JJCE O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 35447080 IKRHLFPNJQSEKG-QRVIBDJDSA-N 474.630 4.643 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 96462397 VEKUIKAUXSLGFD-GZTJUZNOSA-N 466.837 4.554 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)sc2c1 208741608 VPFHCVWUTDKZDB-XNTDXEJSSA-N 461.615 4.596 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526155023 COBNPPTVCOGUQP-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)CC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526573262 YGJWAAHTHYWWKI-RUZDIDTESA-N 474.513 4.902 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)CC1 1760573829 VIODXJKSYOGMKN-UHFFFAOYSA-N 492.668 4.615 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 1772759378 GCUAPUYLSCEWFH-SLAOVOKISA-N 466.584 4.648 10 10 JJCE Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)cc1C 1859616333 AGCYENCMBAQSCA-UHFFFAOYSA-N 483.911 4.530 10 10 JJCE C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347432 PCDXAQBSOULRJA-LEBAXDHQSA-N 470.617 4.873 10 10 JJCE CCOc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287237 LMVAZRHPFWONIC-FYJGNVAPSA-N 470.616 4.960 10 10 JJCE Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180012 VSQHNECXZMQNSA-UHFFFAOYSA-N 474.520 4.846 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2c(O)cc(O)cc2O)C1 1952457211 PTZXJRHZAAKINX-NYHFZMIOSA-N 475.497 4.590 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2194917520 RDOUVBFXZGAUOS-KKMWARJNSA-N 465.638 4.860 10 10 JJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 2296928368 JAFBOSDWMHQKBG-UHFFFAOYSA-N 463.921 4.813 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2296938876 GBZGRFIGVDPDQJ-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1Cc1ccccc1 2297470012 AUHBAFICYWKJJI-UHFFFAOYSA-N 457.534 4.960 10 10 JJCE CCC(NC1Cc2ccccc2C1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2313710594 HHTJCTZCYXEDDA-UHFFFAOYSA-N 456.493 4.982 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc(OC)c1OC 2332115148 UHCATNJPJGTQAV-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550787 OYRXBJKVYMHNBO-DPLHUUCSSA-N 453.564 4.842 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 16919508 YUMJVDJMTPJOEY-DEDYPNTBSA-N 457.573 4.961 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3c(F)cccc3F)CC2)cc1 20289494 XTLHIQHAMKKVGF-BXKMTCNYSA-N 471.573 4.717 10 10 JJCE CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OC 33442170 ISZCECQPMOQILL-SFQUDFHCSA-N 462.424 4.921 10 10 JJCE O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])cc(Br)c1O 33735394 FXMDSAFVHCXIJG-MLPAPPSSSA-N 454.689 4.799 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)c2nc(C)sc2-c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 54123570 BFKKTANCQPXPSD-QHCPKHFHSA-N 497.686 4.794 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C)c1 1083922692 MWSBJIYIDXVYIV-HMAPJEAMSA-N 474.488 4.778 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1OC 1858588088 PGVJRKYZNUOOKA-QANDDYDISA-N 463.602 4.963 10 10 JJCE CC1CCN(c2ccc(NC(=O)CNCc3cc(Cl)cc(Br)c3O)cc2)CC1 1860721112 HGTRXFDAWUJSLH-UHFFFAOYSA-N 466.807 4.773 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1 1866557915 PLJGFROTXXKUEJ-UHFFFAOYSA-N 462.383 4.575 10 10 JJCE CCCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421785 QNCWZCPAZAVHGB-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE CCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1sc2ccccc2c1=O 1874179325 YFFPSHBTPKMZGW-HXUWFJFHSA-N 456.523 4.818 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079038495 ZNKSMSQKZKCWRG-CQSZACIVSA-N 496.267 4.943 10 10 JJCE CCN(CC)c1ccc([C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106834107 QWNFADLFFJKPGP-SQHAQQRYSA-N 453.627 4.736 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNCc1cc(Cl)cc(Br)c1O 2234594010 HKGVYIOBMWPSGA-CYBMUJFWSA-N 469.754 4.933 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2293026821 HDCGSMFWHXPGPY-UHFFFAOYSA-N 463.964 4.604 10 10 JJCE COCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 2296975632 DBCGDULFCPOEDG-UHFFFAOYSA-N 473.023 4.955 10 10 JJCE COc1cc(C=C2C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OC 2297309857 KWYMFCFSWYSREY-UHFFFAOYSA-N 468.674 4.943 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2297321083 GYQJCADMBAXLMJ-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2297334349 DULIHBYTPQLNJI-UHFFFAOYSA-N 483.307 4.944 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 2297349370 ZDAKKEDJWVSMNK-UHFFFAOYSA-N 451.529 4.796 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=Cc1nc2ccccc2c(=O)n1CCc1ccccc1 2297464892 IOCPUJRFSSDHEO-UHFFFAOYSA-N 472.342 4.894 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCOc1ccccc1OC 2313682148 WGXKBJPHNDYSPI-UHFFFAOYSA-N 450.564 4.750 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 2318683340 CKKORIYBJHDGJI-SAJDGTNDSA-N 472.676 4.960 10 10 JJCE CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 9884866 OFQMXLJIUSQZOS-YCPFAOKUSA-N 459.545 4.589 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 33436697 YHPLMYCALSKPCJ-IENRGXEUSA-N 491.682 4.963 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)c1 36557509 QWTLHSXJXPYURR-CUVVAGTFSA-N 489.553 4.878 10 10 JJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 40940465 YBAQFTLFBPDBEL-GZTJUZNOSA-N 477.405 4.783 10 10 JJCE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)c1 49589782 KVVZUEZBZJDZNY-SMESXNLSSA-N 469.950 4.973 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(OCc4nc(-c5ccco5)cs4)cc3)CC2)cc1 56925185 ONDUXXYIOJLGOL-UHFFFAOYSA-N 475.570 4.953 10 10 JJCE COCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)SC1=S 98002428 KBAKBQCLKLXHNC-YBEGLDIGSA-N 468.025 4.719 10 10 JJCE CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCC[C@H]1c1cccs1 104848992 BRJCXYYDGIBDHA-KRWDZBQOSA-N 455.605 4.859 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 207317493 WGCHWICWMQBCAY-GZTJUZNOSA-N 482.612 4.517 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)C[C@@H]1C(F)(F)F 1168522960 IWFDIYNYAFFYJZ-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)CCCC2 1857996991 UQCMWTOLOHLYNV-UHFFFAOYSA-N 469.538 4.989 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccco3)CC2)sc(C)c1-c1ccccc1 1860627325 CVDRUYSFRFYLAA-UHFFFAOYSA-N 466.559 4.984 10 10 JJCE CCCOc1c(Br)cc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 1865667547 BUINZGGXYLNLAD-GZTJUZNOSA-N 459.340 4.515 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cc(C(C)(C)C)nc3ccc(F)cc23)c2nccn2C)cc1 1866280614 ZVOOJUPDLLMRCN-DEOSSOPVSA-N 459.569 4.990 10 10 JJCE CCOC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871145975 LWXVKXLLPMJHBF-UHFFFAOYSA-N 484.556 4.589 10 10 JJCE CCN(CC)c1ccc([C@@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NC)cc1 2106865949 NTTCNCWXEXLDHZ-RUZDIDTESA-N 454.659 4.820 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4ccc(-c5ccccc5)o4)C(=O)N=C3S2)cc1OC 2296400380 YMPRLGPFKKFCTD-UHFFFAOYSA-N 472.526 4.826 10 10 JJCE O=C1C(=Cc2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297297136 YRAYZWGBGGOQNG-UHFFFAOYSA-N 466.294 4.671 10 10 JJCE Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)C(=Cc4ccccc4)SC3=S)s2)c1 2297297557 HSLDQFAYUIANNU-UHFFFAOYSA-N 465.625 4.882 10 10 JJCE Cc1ccc(OCCOCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1C 2297306638 MQUHFVUVOVMIKO-UHFFFAOYSA-N 464.008 4.920 10 10 JJCE CCc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2297349451 CSFRAFLEXRDMFF-UHFFFAOYSA-N 470.616 4.886 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)cc1OC 2297499537 KVDVSUUFTJSZRG-UHFFFAOYSA-N 491.356 4.578 10 10 JJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682508 DVIBUCNBZMCOET-UHFFFAOYSA-N 489.503 4.767 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2ccc(Br)cc2O)[nH]1 2362658308 NDRNCSIVRGUOOI-INIZCTEOSA-N 456.406 4.867 10 10 JJCE CN(C)c1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 27515612 MIEFOAFAXHTLDI-XSFVSMFZSA-N 460.525 4.564 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33474103 PVGNXHVWOZTOHJ-CPNJWEJPSA-N 482.631 4.990 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2F)[C@H]1c1ccc(O)c(O)c1 526204819 UQEKQJXWWZEBNT-QFIPXVFZSA-N 451.450 4.701 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526618377 BMNLRKRGCSBDAV-QFIPXVFZSA-N 473.403 4.590 10 10 JJCE Cc1ccc(C(=O)N2CCC(NC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)cc1 727600250 SOYZOYOFOGLGQS-UHFFFAOYSA-N 458.606 4.549 10 10 JJCE O=C1OCCN1c1ccc(F)c(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 1115884473 ATRJNBMXBMKSBF-JOCHJYFZSA-N 473.464 4.942 10 10 JJCE O=C(CNCc1cccc(OCc2ccccc2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860720201 QSQLYOHSUOUHQX-UHFFFAOYSA-N 476.532 4.769 10 10 JJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H](CO)C2)n1 1868341492 VANRQPAOFVQMMK-QGZVFWFLSA-N 470.573 4.502 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421044 DBZQCTFQXVTFQR-UHFFFAOYSA-N 462.981 4.501 10 10 JJCE O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017273 MNGMYSOZNSAUDU-UHFFFAOYSA-N 499.906 4.728 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951873272 RTERJPPURFQBES-VWLOTQADSA-N 462.458 4.529 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cccc1[N+](=O)[O-] 1953032071 WOAYLKCZRXLSKJ-DVECYGJZSA-N 474.469 4.697 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1cccs1 2200969369 HWDVQCWMBAYLCR-NRFANRHFSA-N 482.602 4.824 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl 2293582709 ANRVSYHPXPEGPI-UHFFFAOYSA-N 451.331 4.687 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)c1 2296851801 HYPQDDSKLZNQMD-UHFFFAOYSA-N 463.584 4.939 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 2313560356 QSPFANVVCMGRBN-UHFFFAOYSA-N 451.822 4.517 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cccc(OCCC(=O)O)c3)SC2=S)cc1 2314932422 VYSMPSMUKPGSPH-UHFFFAOYSA-N 456.589 4.792 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 2332114934 GKSTWLVOGWIEAA-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE CCN1CCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741966 XEJIGRIAQBCNPP-UHFFFAOYSA-N 467.573 4.991 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 20696546 MUXJFEALUSDAHB-PMECCGAFSA-N 469.379 4.890 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1 33334962 PVCKYUUJQWHAFK-RZJZVSJUSA-N 456.915 4.685 10 10 JJCE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066994 SGZZIKGCZZNINK-BKUYFWCQSA-N 496.658 4.670 10 10 JJCE C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCSc1nccs1 1690752625 MXVBLYRQWLWKLC-ZPHPHTNESA-N 482.679 4.693 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2 1859573020 ZBXJFRAMQISCGB-UHFFFAOYSA-N 492.966 4.711 10 10 JJCE CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650232 MSTFVRPQYBDRHQ-UHFFFAOYSA-N 495.587 4.520 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccccc4Cl)c3)CC2)cc1 1874720983 QRLYFUSXGFBOHI-UHFFFAOYSA-N 492.019 4.925 10 10 JJCE COc1ccc([C@H](C)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1942703740 IUNQRRFNKJAAIN-SFHVURJKSA-N 462.546 4.912 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079027316 RTMVUHJQHYUANI-QGZVFWFLSA-N 482.362 4.975 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](NCc2cc(Cl)cc(Br)c2O)(C(F)(F)F)C1 2159808568 BVEPTZBXQXRTDP-INIZCTEOSA-N 473.717 4.840 10 10 JJCE CC(C)(C)OC(=O)NCC1CC2(C1)CC(NCc1cc(Cl)cc(Br)c1O)C2 2164523586 KWLRKDNOTUADLM-UHFFFAOYSA-N 459.812 4.981 10 10 JJCE CCN(CC)c1ccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1 2205683114 ICXMCNZQJLIAAM-UHFFFAOYSA-N 478.678 4.821 10 10 JJCE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 2297458177 GPRPILFUHBVNID-UHFFFAOYSA-N 459.936 4.796 10 10 JJCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2297468604 OFRCXQABTLQAOO-UHFFFAOYSA-N 470.558 4.555 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccccc3C(=O)OC)C2=O)cc1 2313502023 YPASHHLUAFEEEK-UHFFFAOYSA-N 455.605 4.590 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1cc(-c2ccc(Cl)cc2)no1 2314913629 IXUAPDHCEKKYSH-UHFFFAOYSA-N 490.031 4.964 10 10 JJCE COCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S 6581301 FTFVMDXOSSWKLK-LDADJPATSA-N 494.432 4.884 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc([C@@H]4CCCN(C(=O)c5ccccc5)C4)c3)CC2)cc1 33035017 ADBVKFIMGUCJLZ-AREMUKBSSA-N 483.612 4.677 10 10 JJCE CC(C)(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3cc(O)nc4ccccc34)C2=O)cc1 229735678 CCTIXOPJQIERCE-UNOMPAQXSA-N 479.583 4.664 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526334279 WYLGUTYEZIPGNY-VWLOTQADSA-N 490.512 4.521 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526381956 OYSJDNKOTPVLOE-VWLOTQADSA-N 490.556 4.844 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526382705 ULPLSGDBKIIJIC-AREMUKBSSA-N 490.556 4.844 10 10 JJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 1860084189 OWDASTMTGZAERU-UDWIEESQSA-N 457.577 4.851 10 10 JJCE CCCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665622 DHNDOBDTKYZCMD-CJLVFECKSA-N 483.996 4.646 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)CC(C)(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869080318 XEXMWHRNYYBWPG-UHFFFAOYSA-N 459.638 4.885 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873169560 PGFICQJPKGDJHT-SANMLTNESA-N 483.612 4.760 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080005209 DGPFYPHQMZIZLD-SFHVURJKSA-N 466.363 4.743 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NCc3cc(Cl)cc(Br)c3O)C(C)(C)[C@@H]21 2175900740 IXPSIUZYQHKAES-KBRIMQKVSA-N 459.812 4.932 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 2294133731 FCVJUTHABUALHL-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1 2296660182 NEYVBMUUOAMYOR-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE CN1C(=O)C(=Cc2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 2296727632 STOQSPIPXQUGHR-INIZCTEOSA-N 491.805 4.616 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 2297341620 PWTQFWFUQIHVHE-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650499 KNIHYQUYIROHSE-UHFFFAOYSA-N 494.686 4.779 10 10 JJCE CCCC[C@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330125777 FHKBGFCACRVDTG-VWLOTQADSA-N 484.040 4.776 10 10 JJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990094 CBKCGJJBFADEBC-ALVQJFKWSA-N 472.680 4.674 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066414 VRPFLHFNLVILBU-AKGOGDBKSA-N 480.659 4.703 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526332600 GLUZXCSYOKSYQT-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526374340 XNSBPCIDFPSUMB-VWLOTQADSA-N 488.540 4.772 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@@H]([C@@H]2SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S 606672024 KUQNBMNICUXVFU-DTDBQYNISA-N 472.682 4.967 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(Cc4ccccc4F)n3)CC2)cc1 1862355283 OJWUYARXDWUKDR-UHFFFAOYSA-N 470.548 4.709 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(COc5ccc(C)cc5C)[nH]c4c3)CC2)cc1 1872798194 OJSLCXKRQUYXPV-UHFFFAOYSA-N 470.573 4.730 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873164148 ONAGGCVLPKVYAP-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873164394 ZTTNZCQTXVXAFD-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1OC 1873168585 AOIVXVXZLJQOJZ-UHFFFAOYSA-N 487.600 4.637 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422510 AZQAHPXNPJWBHV-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C(F)(F)F 2079678630 XQRDOZSFBAMUNQ-UHFFFAOYSA-N 475.046 4.585 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 2296812428 GEPXSWUSCNFHMB-UHFFFAOYSA-N 477.991 4.994 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)ccc1Cl 2297302831 UKJZAMBWHCZOTQ-UHFFFAOYSA-N 464.861 4.891 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1OC(F)(F)F 2313683003 PKHPLJSCJQDMIH-UHFFFAOYSA-N 490.463 4.847 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)c1C 2314509755 YOVUZYKZCCKJND-UHFFFAOYSA-N 465.600 4.961 10 10 JJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817659 JRAPFVVGXQZQJF-UHFFFAOYSA-N 498.655 4.575 10 10 JJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)C(=O)O 2314930349 BNXHRNBVZBBMOP-LLVKDONJSA-N 453.463 4.963 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1OCC 2323770243 OCRUSZUCBNXDCA-UHFFFAOYSA-N 459.589 4.642 10 10 JJCE CC1=NN(Cc2ccccc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131512 BMBSQSMDMVLFLD-UHFFFAOYSA-N 450.130 4.719 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CC)C2=O)c2cc(Br)ccc21 2533715 LVRJHKKWOCGFHE-FOCLMDBBSA-N 453.427 4.967 10 10 JJCE O=C1/C(=C/c2ccco2)SC(=S)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22575663 ZEZULCRDTYLZFK-NKFKGCMQSA-N 475.639 4.846 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 33334202 FDKAAOXZBGFPNU-HAHDFKILSA-N 459.571 4.585 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1 207318361 OAHUCOGRQSRTAS-GZTJUZNOSA-N 484.628 4.763 10 10 JJCE CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1C=C2 504656817 WIWMACOIHUNZNJ-KKUQBAQOSA-N 477.516 4.634 10 10 JJCE biogenic CCOc1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526185665 MOTSVPUBVMTOGU-XMMPIXPASA-N 463.486 4.571 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1OC 526376772 GCKLNZXDTDHUOY-VWLOTQADSA-N 477.513 4.959 10 10 JJCE O=C1/C(=C\c2ccc(Br)cc2F)SC(=S)N1Cc1ccc2c(c1)OCO2 1858588859 GGMQYVPPXHGWDO-OMCISZLKSA-N 452.326 4.718 10 10 JJCE CCCOC(=O)[C@@H](CC)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848927 MFOHGLBGTLDJCP-HXUWFJFHSA-N 487.512 4.612 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1861848934 VQTNLMSXLDXQGG-UHFFFAOYSA-N 459.461 4.963 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)C1=O 1865667451 XQRZVJHPBUBKSV-HKOYGPOVSA-N 456.542 4.975 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(Cl)c(O)c(OC)c2)cc1 1865674830 ALLGZPUKUFHMIO-UDWIEESQSA-N 464.905 4.906 10 10 JJCE CCCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899264 DHHWRNGRFLCXKT-RRPNLBNLSA-N 478.681 4.693 10 10 JJCE CCCC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684942 YKGCFDQXRRTPLE-NBGIEHNGSA-N 486.056 4.866 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952661182 RIOXMJAKHVHINO-RUZDIDTESA-N 462.458 4.529 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079023945 WSHJCAUEYHIKJK-INIZCTEOSA-N 468.335 4.585 10 10 JJCE COc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 2293769045 QJBQJZKXMPHXSZ-UHFFFAOYSA-N 475.373 4.539 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 2293986978 GZRJCYVPKHGRLM-UHFFFAOYSA-N 476.510 4.937 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296538519 URHBPORDKYZICM-UHFFFAOYSA-N 486.018 4.697 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 2296713735 VRBPAIBKBQPXLX-UHFFFAOYSA-N 483.453 4.594 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1 2296880017 QINNRLBMTXTKFS-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCc3nc4ccccc4s3)C2=O)cc1 2314913682 UAODZRKUCGVSQF-UHFFFAOYSA-N 453.614 4.512 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2c(O)cccc2Br)[C@@H]1C(F)(F)F 2370315602 UGOSFSOYFUDUMY-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)c2C)c1 8643930 TZWBQKWTZGQCGZ-AREMUKBSSA-N 461.587 4.774 10 10 JJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)c1 20210610 CRCANMJVKFJUQS-CXJFQJJYSA-N 455.543 4.792 10 10 JJCE COc1ccc(OCCCn2cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1 27572570 OACUEHQUUPVLEZ-VHDUERLVSA-N 458.543 4.896 10 10 JJCE Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)o1 33315692 YUFDRNOQALVUOZ-WQRHYEAKSA-N 450.447 4.764 10 10 JJCE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)o1 33323386 BVILNHNOTCLVKE-UNOMPAQXSA-N 461.430 4.987 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3c(-c4ccccc4)nc4sc(CC(C)C)nn34)C(=O)N=C2S1 102470597 ORGDWRXNZHENHC-OAKBMTRYSA-N 463.592 4.685 10 10 JJCE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 210032040 KTKNXSILSFDBBQ-PXLXIMEGSA-N 493.610 4.548 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 1084186175 NPODGUJEPQDNHD-MOSHPQCFSA-N 472.588 4.629 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1OC 1858594162 NQCOUYOUQPWDHA-VZMFNRANSA-N 472.632 4.607 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccc(C)cc1 1860665009 GDVWQFRQLIFTPR-NRFANRHFSA-N 491.613 4.633 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 1865875066 OMQVMSKSYDTIKQ-XIEYBQDHSA-N 472.500 4.872 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)ccc(OC)c3[nH]2)sc(C)c1-c1ccccc1 1866539843 GWZBMMBBJOWCII-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421141 ISUYLKVJVZKTSW-UHFFFAOYSA-N 470.617 4.800 10 10 JJCE Cc1ccccc1OCCCOc1ccc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 2297352791 XAPWDXUIXDRQLX-UHFFFAOYSA-N 489.601 4.515 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC(=O)c1cccs1 2297364527 GRXWCRHRPKWVKZ-UHFFFAOYSA-N 490.537 4.595 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414152 QXSAOOPJJZPZCI-UHFFFAOYSA-N 482.606 4.755 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1 2314761298 RQGILQITPAUTSD-UHFFFAOYSA-N 457.573 4.730 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)c1O 2332124769 NZJYVEOMNBCRCY-UHFFFAOYSA-N 455.230 4.507 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl 1255953 PVTUEJJIMGXRDX-RIYZIHGNSA-N 462.731 4.984 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCC(C)CC2)SC1=S 33383586 SHHWXGBSFQELJF-XSFVSMFZSA-N 472.680 4.583 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751720 FCZHDRKQXWBPEM-DEDYPNTBSA-N 494.642 4.625 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1C 39793986 WKTPPUSCLOLYAN-MFOYZWKCSA-N 477.405 4.572 10 10 JJCE O=C1N=C(O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N1c1cccc(Cl)c1 59860195 DRVVWOLKONYIST-PDGQHHTCSA-N 454.870 4.745 10 10 JJCE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 103565225 DHHMDQFDZJQEHH-XUHCONPKSA-N 488.491 4.943 10 10 JJCE Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccccc1F 1084596084 VWNSHPIBWAZABK-HMAPJEAMSA-N 471.463 4.943 10 10 JJCE C/C(=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1C(F)(F)F 1127181863 ONRJIGXKCBOHIQ-MNDPQUGUSA-N 457.540 4.957 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4cccc(Br)c34)c2)CC1 1269319229 VZBWCQKXBMZVLU-UHFFFAOYSA-N 452.352 4.523 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862211412 GRVFEEONWITNRL-AJTFRIOCSA-N 495.664 4.610 10 10 JJCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc2c(c1)CCCC2 1862357978 DTLGDPFROMTWMP-UHFFFAOYSA-N 458.606 4.810 10 10 JJCE CC[C@@](C)(NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370486 ISEKDTLSZOKAQV-SHQCIBLASA-N 485.072 4.648 10 10 JJCE CCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870465573 GDMPMTIPNPLWKM-UHFFFAOYSA-N 461.606 4.558 10 10 JJCE COc1ccc(CN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873163989 HAFWEQUJYQTGIW-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426196 WGIWAYRLIMCMDD-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079126498 YTHRJFROJGXSKB-GOSISDBHSA-N 468.335 4.630 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1C 2296545357 KGEVPTIQPMTVAQ-UHFFFAOYSA-N 479.583 4.532 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OC)c1 2297334666 GCBMGXDMLULCTQ-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3cc(OC)c(O)cc3Br)SC2=S)cc1 2297576997 IMBJPPUVCVODPU-UHFFFAOYSA-N 466.378 4.573 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)o1 2313553105 GIVUUBKAHHPEJK-UHFFFAOYSA-N 475.526 4.865 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147423 CPOSVWBXUAPEOE-UHFFFAOYSA-N 458.514 4.557 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 8659722 ZGHRVWNBDXXTKZ-STZFKDTASA-N 476.558 4.563 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](CC)(c4ccccc4)C3=O)c2C)cc1 14266546 YMTTZGFRHHIEJY-HHHXNRCGSA-N 459.546 4.533 10 10 JJCE COc1ccc(CN2C(=O)/C(=C/c3cc4cc(C)ccc4nc3N3CCOCC3)SC2=S)cc1 38732325 LCAGGCJZUGILJJ-HAHDFKILSA-N 491.638 4.790 10 10 JJCE CCc1sc(NC(=O)[C@@H](C)[C@H](C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866261820 FAPNKEUZEFLTTM-QWRGUYRKSA-N 468.369 4.822 10 10 JJCE CCOC(=O)CCOc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870876487 ZJZRGTSRPBMVNX-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE CC(C)OC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870907532 PQPOFYYDAWHPNR-UHFFFAOYSA-N 498.583 4.978 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1873168117 JORQBKCBZDPSNU-FQEVSTJZSA-N 464.654 4.684 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170104 OGPDWRAHLFUYST-GKVQRAMASA-N 461.606 4.521 10 10 JJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccn21 1873976182 SPJZJBZJTAUNNA-UHFFFAOYSA-N 450.372 4.866 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@]1(CN)CC[C@@H]1OCc1ccccc1 1881311898 ZLXUDFAQFQJGDX-RPLLCQBOSA-N 451.611 4.541 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C(=O)O)C1CC1)OCC1c2ccccc2-c2ccccc21 1951942563 CAZQORHMWKKPFG-OZXSUGGESA-N 473.525 4.658 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(c2cccc(Br)c2)C1=O 2053514078 ANJULRDKYZIHJU-UHFFFAOYSA-N 496.205 4.940 10 10 JJCE C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1)c1ccccc1O 2192610591 CQZJVCIUZIBJMI-LBPRGKRZSA-N 482.318 4.835 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2297554688 RYVXARJHKGPRLC-INIZCTEOSA-N 477.991 4.992 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1OC(C)C 2313549284 RSTJUUQTIWZGAR-UHFFFAOYSA-N 487.350 4.528 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 2313559093 QYWVRKXDBYDLEX-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641694 WWSSEASKGPPCOT-JTFSCDOYSA-N 472.607 4.616 10 10 JJCE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14552236 WPKZKIAVIHRAQO-QBVRBKIRSA-N 456.633 4.692 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2)c1 20071332 UFKCRTAIPXIATK-RXFWQSSRSA-N 462.502 4.669 10 10 JJCE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2F)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 33247559 WISQVNLJXVJXRH-FYJGNVAPSA-N 482.899 4.863 10 10 JJCE CN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(O)=NC1=S 33286682 QCURAKYCVKVGAX-WDZFZDKYSA-N 457.758 4.944 10 10 JJCE COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1 33343273 FWVHDBGKQCHFGK-BKUYFWCQSA-N 461.449 4.527 10 10 JJCE O=C(CN1C(=O)/C(=C2/SC(=S)N(C3CCCC3)C2=O)c2ccccc21)Nc1ccccc1Cl 33931405 HMHBAYZPVMUEBP-QZQOTICOSA-N 498.029 4.839 10 10 JJCE CCCCS(=O)(=O)N(Cc1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189225 CLLCAMRZOCONDK-UHFFFAOYSA-N 451.519 4.738 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccccc3Br)SC2=S)N(C)C)cc1 1858594400 XPDBCICXOBLGQS-LSCADSNKSA-N 477.449 4.962 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862283469 HJLYMQHVSFLWNG-MUUNZHRXSA-N 499.655 4.683 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873166838 JDGYKZQSSVNAPW-UHFFFAOYSA-N 478.596 4.660 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CCc4ccccc4)cc3)CC2)cc1 1874745018 DGLJSNAPTMVCAV-UHFFFAOYSA-N 472.585 4.628 10 10 JJCE O=C(OCc1ccccc1)N1CCC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 1948129952 KSLVTKJFMUYESN-KRWDZBQOSA-N 453.764 4.699 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 2296132871 NRYGQXXEEFEMRM-UHFFFAOYSA-N 463.921 4.731 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296756233 PNIQEEXBWKOYNP-UHFFFAOYSA-N 474.991 4.747 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 2297313902 KRPZAWZPWQRPPA-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2323844436 NBXYYHQMMLBKHU-UHFFFAOYSA-N 452.326 4.688 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332115197 XCLKXLLJGRYQLN-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)cc1OC 2332139179 DSEROZAEBSSZJM-UHFFFAOYSA-N 477.605 4.914 10 10 JJCE CCN(CC)c1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 12625560 HKLDXCZGGCFECM-XLNRJJMWSA-N 455.027 4.979 10 10 JJCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C(F)(F)F)o2)cc1 33436806 DRMBCDGPDAYZEI-GZTJUZNOSA-N 495.866 4.596 10 10 JJCE O=C1/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33807237 MZNBMXZAVKAHDT-XSFVSMFZSA-N 494.617 4.980 10 10 JJCE CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 40147348 PWUXTLIHIOLRCK-HAVVHWLPSA-N 469.582 4.806 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526333927 SMRLNRVGJHVTJW-VWLOTQADSA-N 474.513 4.902 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526507797 ZLPZQWMIQCTYAW-RUZDIDTESA-N 476.529 4.628 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526630014 NAPJGXOGUGVRFY-DEOSSOPVSA-N 493.512 4.580 10 10 JJCE COc1cccc([C@H]2SC[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1615980144 JAFOKKJEJIVBFZ-XUZZJYLKSA-N 477.538 4.851 10 10 JJCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705811686 IPXKMXCEOHACLS-TZIWHRDSSA-N 469.655 4.577 10 10 JJCE CCCOc1ccc(-c2csc(NC(=O)COc3ccc(N)cc3)c2C(=O)OCC)cc1 1860083382 MXHVIHNXEDPKJY-UHFFFAOYSA-N 454.548 4.980 10 10 JJCE CC(C)(C)c1csc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860344735 CBNFFXYKLQUTHW-UHFFFAOYSA-N 483.597 4.967 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)CC2)cc1 1869930573 BPYJOIMACNHXMC-UHFFFAOYSA-N 473.404 4.696 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170449 ZXXBLHORHBBXSW-CLOONOSVSA-N 468.601 4.938 10 10 JJCE CCN(CC)c1ccc([C@H](NC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2106866600 WFFCSVWUSYACOI-DQEYMECFSA-N 454.659 4.819 10 10 JJCE O=C1C(=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 2293403537 SDEXYZLJKRKMCL-UHFFFAOYSA-N 455.286 4.608 10 10 JJCE CCc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297349771 CVTQKCDIBKMDNC-UHFFFAOYSA-N 454.573 4.598 10 10 JJCE CC1(C)C[C@@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)C3=C1C(=O)N(c2ccccc2)N=C1N 2297731513 YWWHVDLNRBCAMT-LJAQVGFWSA-N 480.543 4.733 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 2321609709 IDVOCDYLHAINCD-UHFFFAOYSA-N 456.423 4.734 10 10 JJCE CCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329551111 DIMCJEWEFMHQTG-NDEPHWFRSA-N 489.660 4.739 10 10 JJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15047534 FJNIKWUAPCFTOU-FAPYRAKZSA-N 451.573 4.795 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 33541954 YAHMXNZRBXBMAO-FHAJGWRGSA-N 494.573 4.581 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(OC)cc1 103704200 QSVODTRNSRDLOW-SUYASHRRSA-N 479.558 4.719 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 206923293 GXNFNYKEAOJGSQ-XSFVSMFZSA-N 456.589 4.729 10 10 JJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 210894948 ILFOORBNFUHYNL-CIAFOILYSA-N 464.568 4.745 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nccs1 211946249 PZFQGBVUEBZQOX-SFQUDFHCSA-N 459.618 4.695 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 250778898 GSEYBZMRYKZRPA-ZMPRRUGASA-N 465.402 4.841 10 10 JJCE CN(Cc1nc(O)c2ccccc2n1)[C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O 799383200 GPMISGOOGHWLTO-JOCHJYFZSA-N 466.501 4.515 10 10 JJCE O=C(CCNCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860711331 YYYHKUCOLZAYCB-UHFFFAOYSA-N 452.432 4.599 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864021358 BASJDOUKYMDXKA-PBHICJAKSA-N 496.530 4.503 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc(Br)c2)N2CCCCC2)cc1 1866124679 SRAYOSPCPJXKSU-PZVJUEDKSA-N 456.428 4.872 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(C)cc4)c3)CC2)cc1 1874730692 ZOJOMBCFNSJRSI-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE CC[C@H](C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951901138 IJAFVCIBUGTJED-SBUREZEXSA-N 461.514 4.658 10 10 JJCE COc1cccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1952819290 SYTUYVYSBQUZMU-URXFXBBRSA-N 459.498 4.798 10 10 JJCE Cc1cccc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1O 2024803045 YFGSIGNSNYSCNE-VWLOTQADSA-N 458.558 4.880 10 10 JJCE CN[C@H](c1ccc(N(C)C)cc1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2106848574 KFHDLTKXXLZDIR-SQHAQQRYSA-N 453.627 4.857 10 10 JJCE COc1ccccc1OCCCn1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)c2ccccc21 2293205611 WQBIRCOFCGUNFQ-UHFFFAOYSA-N 473.558 4.758 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OC 2297335758 GQLYJQSCCOCYSI-UHFFFAOYSA-N 486.524 4.648 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)ccc1OCCC(C)C 2313548768 FLPIIFHVMPRDFX-UHFFFAOYSA-N 458.514 4.940 10 10 JJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S 2314754988 LQAWBZHTVQEDNY-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE Cc1ccc(CNC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)c(O)c1Br 2381138974 RFRWBVFCWCSOGJ-BSLVTKGXSA-N 481.337 4.645 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 1090119 LSDJTGQJIZBPMI-BUHFOSPRSA-N 451.754 4.831 10 10 JJCE C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21637510 IAJZGPQVXYDAMU-LBPRGKRZSA-N 456.445 4.995 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@H]4CCCC[C@H]4C)c4ccccc4n3)CC2)cc1 23428385 RFWXZZJVOSPDCL-NLFFAJNJSA-N 458.606 4.879 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)on2)cc1 40324398 DYRYOBXVGFYNSM-BKUYFWCQSA-N 463.584 4.558 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1 59106171 FKCMHESQJGMQIU-WQRHYEAKSA-N 492.375 4.941 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C 108964719 JGFSNKYPPIWDTD-IZXINGCJSA-N 480.605 4.797 10 10 JJCE Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)s2)cc1 209418918 NQFDBOGKVUTTOS-GZTJUZNOSA-N 498.680 4.979 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC)cc2)[C@H]1c1ccc(O)c(O)c1 526526504 QMFNEFSXLHLIRN-XMMPIXPASA-N 475.497 4.730 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)cccc21 1861857423 BJKBZIGZXCIWBJ-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE CCCOC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234045 YIVSJWILZIBNHY-RUZDIDTESA-N 491.588 4.715 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421357 TUDYJDKHDLYNNZ-UHFFFAOYSA-N 470.617 4.971 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CC4CCCCC4)cc3)CC2)cc1 1874739673 QJKMMWZSXSFEDS-UHFFFAOYSA-N 464.606 4.966 10 10 JJCE CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)[C@@H]1c1ccccc1 1891742728 HXCUQZHZDANZQO-TXSIRGRGSA-N 465.597 4.902 10 10 JJCE O=C(NCCNCc1c(O)cccc1Br)OCC1c2ccccc2-c2ccccc21 1954827054 QPQICCQRQNLEAM-UHFFFAOYSA-N 467.363 4.783 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2053508590 AUXHKCASQCGBTB-ZDUSSCGKSA-N 498.991 4.916 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080054001 XULNSXWASUDVFE-CQSZACIVSA-N 464.250 4.691 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CN(C)Cc2ccccc2)c2ccccc12 2296270468 AASCVVRBCAYONM-AREMUKBSSA-N 478.596 4.940 10 10 JJCE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296709109 XMYKYEHXCHHXSG-UHFFFAOYSA-N 478.643 4.781 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(O)cc3C)C2=O)cc(Br)c1O 2321623695 JYABBKDSYUSUMF-UHFFFAOYSA-N 452.351 4.583 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc(Br)c1O 2332106976 AOVFHDAFUFDRLQ-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 3071261 RJPPHAWFDQCJBM-MHZLTWQESA-N 464.521 4.827 10 10 JJCE CCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 40938412 VGHGNHQATFCOKO-PTNGSMBKSA-N 488.425 4.703 10 10 JJCE Cc1cccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)c1 54201737 CJFSKCMJLOMRLS-VWNXMTODSA-N 484.581 4.879 10 10 JJCE CCCCSc1nnc(-c2ccccc2N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(O)n1 103682691 GIHBAMORMAILSB-XDJHFCHBSA-N 460.563 4.855 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 210671984 WRHXFSFHTLMKTE-LICLKQGHSA-N 482.505 4.650 10 10 JJCE CCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)C(F)(F)F)cc1 254858712 WAVSPEVZLMQNRB-UHFFFAOYSA-N 488.444 4.693 10 10 JJCE COC(=O)c1c(NC(=O)c2cccc(C(=O)O)c2O)sc(C)c1-c1ccc(Br)cc1 1866224200 UOPQMZWTMUCOLV-UHFFFAOYSA-N 490.331 4.929 10 10 JJCE CCCN(CCCN(C)C)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(CC)n1 1868274846 HXGUTCCNXGOMPX-UHFFFAOYSA-N 471.605 4.726 10 10 JJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c(OC)c1 1873933348 PFNIOCFVCKJGDH-UHFFFAOYSA-N 494.551 4.620 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 1874747837 BNPXRKFHSONQBD-UHFFFAOYSA-N 492.019 4.925 10 10 JJCE C[C@@H](C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951529291 RHQPEXMLDQDKRV-FUHWJXTLSA-N 461.514 4.658 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080004268 YCQVREQZKROPAY-LJQANCHMSA-N 496.345 4.646 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1 2293606188 CUBZUHVRFFZSIJ-UHFFFAOYSA-N 462.527 4.659 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)s1 2314490390 XXLJPJRYMZMUPQ-UHFFFAOYSA-N 488.660 4.652 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)C=Cc2ccc(Br)cc2)N2CCCCC2)cc1 2329604558 CZVCLBPWDPYCDH-QHCPKHFHSA-N 456.428 4.872 10 10 JJCE O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467880 KUIPQBYSRUHPOM-PPSDVSMJSA-N 495.428 4.983 10 10 JJCE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066666 MZUALHDBVJRLEF-MTJSOVHGSA-N 496.633 4.851 10 10 JJCE Cc1ccccc1NC(=O)C[C@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O 54201738 MDTYJSGXUVABSR-LADGPHEKSA-N 484.581 4.879 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 206727554 WYFYUHXELBOKQW-LPYMAVHISA-N 493.610 4.566 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526500093 CMPHGUQHFIAYFU-HHHXNRCGSA-N 469.585 4.955 10 10 JJCE O=C(N[C@H](C(=O)O)c1cccc(Br)c1O)OCC1c2ccccc2-c2ccccc21 642884530 LLLCHDSUXFLBPX-FQEVSTJZSA-N 468.303 4.819 10 10 JJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1cccs1 1705605514 MXLKTZCRMBXOGU-AREMUKBSSA-N 459.619 4.781 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1OCC 1860086892 NKLUUVIFFLVJLA-XSFVSMFZSA-N 453.589 4.804 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865650067 TULDOPXPGWTDGM-GZTJUZNOSA-N 452.869 4.729 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cc(Br)c1O 1865667419 VTSZJYJGWJKNRD-ZSOIEALJSA-N 485.256 4.911 10 10 JJCE CC[C@@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866970553 BRCVGSQTXZRLSH-ISKFKSNPSA-N 486.543 4.874 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873420310 YKYUXDJKDSPYCZ-HSZRJFAPSA-N 455.558 4.774 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079006591 FAZNWMOOJPVFPL-KRWDZBQOSA-N 466.319 4.857 10 10 JJCE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194936903 GHBPNDVTEGSBCQ-VXKWHMMOSA-N 466.670 4.633 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 2293225762 TYVARSZYZGVXTM-UHFFFAOYSA-N 474.296 4.646 10 10 JJCE CCOC(=O)[C@H]1CCCN(C2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)S2)C1 2294407136 YYYJRPMPZDBSKY-FQEVSTJZSA-N 480.586 4.520 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1Cl 2296398130 VSKTUIXTWCIEOZ-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1 2296400307 PPYCVDHSPJTYMR-UHFFFAOYSA-N 496.548 4.970 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2313543695 BYGFMDOKVFBYPK-UHFFFAOYSA-N 450.838 4.543 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1C 2314740322 HHBULSZVFWQTKL-UHFFFAOYSA-N 485.627 4.983 10 10 JJCE CCCC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105217 IZGBIHFKQWOBKS-UHFFFAOYSA-N 483.996 4.646 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccc(C)cc3)CC2)cc1 9251221 UNRIVHNGCJKMDK-UHFFFAOYSA-N 483.568 4.893 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCCC(=O)O 16911928 ARDZNYSOFUSMKS-LICLKQGHSA-N 483.489 4.973 10 10 JJCE CCCN(CCC)C[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20439400 YMBMLYIRQXNBDM-OTZYPNAKSA-N 458.606 4.930 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)o3)CC2)cc1 34684248 RTIFITSUPSKOTL-UHFFFAOYSA-N 473.495 4.559 10 10 JJCE CCCN(CCC)C[C@@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 96498797 YMBMLYIRQXNBDM-PGOXGVTESA-N 458.606 4.930 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2 226724660 BHSFQANEFHCRNR-JLHGSKIFSA-N 457.368 4.748 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526274287 PVGSXCOLOOAQNS-QFIPXVFZSA-N 471.868 4.965 10 10 JJCE O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(Br)cc1C(F)(F)F 917898347 QTCBCRDNCAVPFB-UHFFFAOYSA-N 453.261 4.985 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1O 1307683034 GUHSDSDWYYPLDD-TZIWHRDSSA-N 453.341 4.881 10 10 JJCE COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1Cl 1857992435 SECRLXCQFLHVBS-UHFFFAOYSA-N 455.967 4.850 10 10 JJCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)N2CCCCC2)cc1 1858074062 BGQUHPTVLKCSKP-AREMUKBSSA-N 471.667 4.580 10 10 JJCE C[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1 1860347535 UXWNONNUKSOVKD-WHLCRQNOSA-N 464.569 4.666 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866471219 MNHIITFPQYXMFQ-JOCHJYFZSA-N 497.039 4.522 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079125098 LVQRDGUHFNVNCU-QGZVFWFLSA-N 468.335 4.630 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080011688 DLQGANHAVBNRTK-KRWDZBQOSA-N 482.362 4.894 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 2296713490 DYFBDLXYFUYHLJ-UHFFFAOYSA-N 477.405 4.960 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S 2314937088 SDYKOQOKDQOAIV-UHFFFAOYSA-N 478.542 4.922 10 10 JJCE CCCC[C@@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329520839 OUGRNJNYIYLPAN-HHHXNRCGSA-N 493.648 4.521 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533415 VJDYGXRCFJBDFV-FMQUCBEESA-N 486.018 4.697 10 10 JJCE CCOC(=O)[C@H](NC(=O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(NC(C)=O)cc1)C(C)C 23446481 WXNFIJWGTGMFLN-HHHXNRCGSA-N 493.579 4.878 10 10 JJCE Cc1cccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1C(=O)N1CCCC1 107593236 CNISHXFQJJKPBB-UHFFFAOYSA-N 459.546 4.662 10 10 JJCE CCOC(=O)[C@@H]1C(C)=N[C@H](c2ccccc2O)N2[C@@H]1c1ccccc1O[C@@H]2c1ccccc1O 247958814 NKKIDFXTBGPCJK-FXSWLTOZSA-N 458.514 4.885 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526282918 QCYFRDGFALGCFF-RUZDIDTESA-N 470.529 4.703 10 10 JJCE COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 1083921932 ALDMTGODLHTUAT-QRVIBDJDSA-N 456.542 4.829 10 10 JJCE COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(Br)c(OC)c1OC 1859466370 UIKRNRPDTUSASK-UHFFFAOYSA-N 496.313 4.503 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc(Br)c1O 1860087345 QPYGKZXWCFTEGG-MKMNVTDBSA-N 458.305 4.847 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(OC)c(Cl)c5)[nH]c4c3)CC2)cc1 1861869157 RQTCQRDWMITZII-UHFFFAOYSA-N 476.964 4.863 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccc(Cl)cc1 1862313100 GXPQUGLGGMOFAH-UHFFFAOYSA-N 467.013 4.898 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864022475 XNQJEVZJWHPLAC-XMMPIXPASA-N 498.583 4.610 10 10 JJCE Cc1c(Cl)ccc2c(O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866509424 SGPRARKBGHZLAW-QHCPKHFHSA-N 467.013 4.925 10 10 JJCE CC[C@@](C)(NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867268851 QLKLNUGNDUUVIV-HHHXNRCGSA-N 483.549 4.609 10 10 JJCE CCCCCCOc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672662 ZOCXJQXRTBRWRH-UHFFFAOYSA-N 490.648 4.582 10 10 JJCE CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179851 RYWNCJUZRHMTEB-UHFFFAOYSA-N 467.477 4.538 10 10 JJCE C[C@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCN2C 1927484869 NTMQBRDEXWOCNF-MRDQGFSESA-N 456.542 4.979 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)c1 2294216947 SLDMNGLRCMKBSY-UHFFFAOYSA-N 480.929 4.746 10 10 JJCE O=C(O)c1cccc(CN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1 2326974209 BUIDTDOYJSXJCY-UHFFFAOYSA-N 452.326 4.688 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329495813 UFGVNOOGZINRRH-GOSISDBHSA-N 466.537 4.571 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15037978 AYJIETBSOYBBQT-AQTBWJFISA-N 474.991 4.747 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 16926669 WJBIIIXZRYKFTI-JXAWBTAJSA-N 465.593 4.557 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 16926791 INSSZVIENVZMBO-NSIKDUERSA-N 454.312 4.796 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c1 20706366 XBTSUDPRLRRESF-GDEXEMPNSA-N 489.981 4.532 10 10 JJCE CCn1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccc(I)cc2c1=O 33431503 LDOQOHATDLAYSC-BENRWUELSA-N 469.326 4.992 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 34847182 CDNAVVBCIHGGDT-JBMLUDNBSA-N 499.936 4.865 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n1-c1ccc(F)cc1 62694633 NYHJMUCGYGILMQ-UHFFFAOYSA-N 468.960 4.919 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 250214770 DEXMDWCHDHHQBO-YPCDYVTLSA-N 491.569 4.948 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526218243 JYJALPQNFYVFTP-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1ccc(-c2nnc(SCC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)o2)cc1 746426057 MGIAHNLIDKMKMD-UHFFFAOYSA-N 462.575 4.604 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028689 YBAQGEYZYXSALM-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)CCc2ccc(Br)cc2)N2CCCCC2)cc1 1866089912 NRAZEIHWDKGTMG-QHCPKHFHSA-N 458.444 4.791 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1869132016 QEGOWOUNKYFNEA-FQEVSTJZSA-N 473.621 4.713 10 10 JJCE [O-]/[N+](=N/c1cccc(I)c1)c1cccc(I)c1 2059891496 GRWXCTMEYYYJQZ-FOCLMDBBSA-N 450.017 4.822 10 10 JJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C(F)(F)F 2079683794 SNYRSZZUPXGENH-UHFFFAOYSA-N 464.147 4.842 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1O 2297350534 YICMUIWUGSLWQI-UHFFFAOYSA-N 489.233 4.783 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2cccs2)cc1 2313683094 RONZMRYTGKDJER-UHFFFAOYSA-N 462.531 4.522 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314413867 JPOIOWYAYYJKSQ-UHFFFAOYSA-N 468.604 4.599 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCCCC3)nc12 2314414124 QGRWUJYEZAGQSG-SFHVURJKSA-N 490.654 4.956 10 10 JJCE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522658 SAWXJXVYFJHNSD-UHFFFAOYSA-N 493.610 4.896 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 2332134748 GFMRPVWXWWCTTD-UHFFFAOYSA-N 453.214 4.584 10 10 JJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc(Br)cc1 2332144680 FAUKNGOZCFWWMX-UHFFFAOYSA-N 464.275 4.897 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 33563029 ORHGDYCMLPUNOW-HNENSFHCSA-N 458.008 4.762 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(O)cc1 33723306 AGUWCQZUYACPML-HYARGMPZSA-N 492.578 4.824 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccnc(-c4cccc(F)c4)n3)CC2)cc1 85649323 BVKSAVZUDKSOHI-UHFFFAOYSA-N 461.585 4.662 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 206466896 CFPIEPQNKGZHKX-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 213201789 ZBYNROXQHBBGCJ-RGEXLXHISA-N 481.599 4.805 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526506274 KMFQSRNVEKXJPV-AREMUKBSSA-N 473.573 4.893 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 1084078592 VBPSWNUEEDXFPF-UYRXBGFRSA-N 476.529 4.553 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 1858592018 GJBMZWBWMIHSKY-WNLSXJKCSA-N 454.356 4.596 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCCC2)sc(C)c1-c1ccc(OCC)cc1 1860762811 SDHDYVAEEGQXHA-UHFFFAOYSA-N 458.580 4.686 10 10 JJCE COC(=O)c1c(NC(=O)c2csc(-c3cnccn3)n2)sc(C)c1-c1ccc(C)cc1 1865785654 HZAPWWAQQXZDSB-UHFFFAOYSA-N 450.545 4.984 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(F)ccc(F)c3c2=O)sc(C)c1-c1ccccc1 1866420546 FEJXINBUMSPQEA-UHFFFAOYSA-N 454.454 4.882 10 10 JJCE CC(C)COc1cn(CCCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870858242 ZYJRETOJSTVLHC-UHFFFAOYSA-N 490.648 4.961 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(OC)c4)cc3)CC2)cc1 1872884513 WLMFAZQILYLEKA-NRFANRHFSA-N 489.616 4.526 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873164392 ZOXOLSPGGTXUNB-UHFFFAOYSA-N 481.552 4.636 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873165874 UTYVRPNEKVPCGV-UHFFFAOYSA-N 491.657 4.883 10 10 JJCE CCCCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170963 YINRKIVQNWPKTB-UHFFFAOYSA-N 491.632 4.543 10 10 JJCE CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874016990 JZQIUJUGZWQFPF-INIZCTEOSA-N 481.504 4.927 10 10 JJCE CCOc1cccc(C(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)c1 1874728946 XJRKTNDWEHQBKV-UHFFFAOYSA-N 487.600 4.741 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCc4ccccc4)c3)CC2)cc1 1874736429 IWMYZDGGEOCKBY-UHFFFAOYSA-N 472.585 4.628 10 10 JJCE Cc1nn(-c2ccccc2Cl)c(Cl)c1C=C1CCn2c1nc1cc(C(=O)O)ccc1c2=O 2042434905 JEZUNFDQAJBZKW-UHFFFAOYSA-N 467.312 4.840 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](CC)c2cc(C)c(C)cc2O)c1I 2079949901 BFGCLTHIRSZDJA-OAHLLOKOSA-N 456.324 4.549 10 10 JJCE CC[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccccc1O 2084885687 JLTXKLAWZHIPRV-IBGZPJMESA-N 451.608 4.631 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 2294235483 XDVUUBLUKVTHDH-UHFFFAOYSA-N 471.916 4.857 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314827885 OLYURZJKZUAQIE-UHFFFAOYSA-N 482.627 4.706 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 2328566279 HXQVPJHNGNSJTB-HHHXNRCGSA-N 490.003 4.568 10 10 JJCE Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1-c1ccc2c(c1)OCO2 12427167 YDYBGTBZRXFIAW-UHFFFAOYSA-N 451.479 4.987 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 15035716 KKNYPHOHVJLMGO-SXGWCWSVSA-N 452.479 4.554 10 10 JJCE CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 20236489 TZLVWXMBIDRIAW-ZKZSMLQKSA-N 461.518 4.556 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33457839 NNZJDULCSCGHOG-NBVRZTHBSA-N 451.573 4.797 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1 33624817 WXPVFOAOLUMTAN-BKUYFWCQSA-N 460.461 4.916 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2c1 208276034 RAWXVLQDKCVLET-KNGGAZFVSA-N 453.633 4.914 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226844333 QSJSIWHPUYZPDT-YDIMBITNSA-N 469.563 4.692 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)c1 526282503 UHBWPFGWGPAZSN-XMMPIXPASA-N 457.486 4.820 10 10 JJCE Oc1cccc(Cl)c1CNc1cc(I)cc(I)c1 690367604 PEPUBTHMEQIHRL-UHFFFAOYSA-N 485.490 4.867 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873167836 ZWKAQDRNTAMFPS-RUZDIDTESA-N 473.617 4.833 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873168948 QWZNZOJCTUXPKZ-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)c(Cl)c3)n4C)CC2)cc1 1873650353 JZZGRUNEOUWONR-UHFFFAOYSA-N 490.995 4.518 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CC(C)(C)[C@@H]1OCc1ccccc1 1881515284 KHGPEVMZZPICSA-WNCULLNHSA-N 453.627 4.860 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(CO)c2I)cc1C 2079980711 IJNWUKLSJSDWPY-LJQANCHMSA-N 452.336 4.569 10 10 JJCE Cc1c(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)n(C)c2ccccc12 2205549969 QNURTPOAOZJUCN-HSZRJFAPSA-N 462.638 4.698 10 10 JJCE CCCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 2296727550 LXZZSANKBLZNSX-OAHLLOKOSA-N 467.827 4.509 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(-c3ccccc3Br)o2)SC1=S 2297576242 FJAFGPIAMXVXEE-UHFFFAOYSA-N 452.351 4.775 10 10 JJCE CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548316 RZXUILXJRLFVMT-UHFFFAOYSA-N 465.303 4.667 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313559428 YIAXZHHQPHONMP-UHFFFAOYSA-N 483.952 4.727 10 10 JJCE CC(C)Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 2314765224 YBAQFTLFBPDBEL-UHFFFAOYSA-N 477.405 4.783 10 10 JJCE O=C1C(=Cc2ccc(F)c(F)c2)SC(=S)N1c1ccc(I)cc1 2321616849 JWKITKSOJCVBCL-UHFFFAOYSA-N 459.280 4.975 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1 2321718269 UDNQLYJHPVZPLZ-UHFFFAOYSA-N 452.326 4.781 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2323809318 YVEUUENWTRZZAV-AWEZNQCLSA-N 454.356 4.596 10 10 JJCE CC[C@](C)(NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330451568 HIBPIYUVPNJRAS-LJAQVGFWSA-N 466.537 4.789 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H](O)CNCc2ccccc2)c2ccccc12 13574556 HFIKYBCDMVMSNC-OSYJHYBZSA-N 464.569 4.598 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459031 FWGYBNNNXZIFLU-RLSLOFABSA-N 454.592 4.792 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 20211204 RTHACSFNHLHXGU-JUIDXRIDSA-N 455.543 4.738 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S 40066449 SLPQHGZRKWBPQB-GEYIUBJWSA-N 466.632 4.660 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 40940422 KYHXEWUMTXXSCS-ATVHPVEESA-N 477.405 4.784 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 95535988 GOJAWZVVJGTGLS-GZTJUZNOSA-N 457.269 4.501 10 10 JJCE COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 101135986 KKKPBRIYUHFDIE-JWGURIENSA-N 476.558 4.523 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526289795 NXPSASGJZKSCBR-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 1084368368 JYIOCOYLGRXFKS-QNGOZBTKSA-N 490.943 4.632 10 10 JJCE C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cnccn2)n1CCCSc1nccs1 1705950586 CTAKUFANUZCOGG-SDXDJHTJSA-N 463.636 4.914 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)sc(C)c1-c1ccccc1 1860650584 FARUQRBXABWJJE-SFHVURJKSA-N 466.559 4.984 10 10 JJCE CC[C@@](C)(NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866575039 FMHOBWTUOCOKPU-SSEXGKCCSA-N 493.563 4.800 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873167144 UMYHFXUBAXBEKM-UHFFFAOYSA-N 464.569 4.650 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951859497 ZYSREGKMWYGKSB-VWLOTQADSA-N 462.458 4.529 10 10 JJCE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079026918 LCCHIFNAWBDQBR-HNNXBMFYSA-N 456.324 4.743 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1C 2294093687 DXQGDWOSRXFNDE-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 2294143657 VMPAOYKJFIBXFS-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1C 2296846723 ZGLPGDMKVYSDEK-UHFFFAOYSA-N 493.610 4.922 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 2297462312 XKEMPQBPYKYLIS-UHFFFAOYSA-N 476.510 4.937 10 10 JJCE COc1cc(C=C2SC(=S)N(Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 2297505210 ZIQOYKMLRBPOIC-UHFFFAOYSA-N 491.594 4.941 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1 2313549137 OBRGNGSXODEEMU-UHFFFAOYSA-N 470.525 4.948 10 10 JJCE CCOc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331592435 JIHLEBXYXVUZAR-UHFFFAOYSA-N 470.616 4.960 10 10 JJCE C[C@@H]1C(=O)[C@H](C)[C@H](c2c(O)cccc2Br)N[C@H]1c1c(O)cccc1Br 13512671 XEGCGRZCWIFNHZ-AYBUMKCRSA-N 469.173 4.850 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15045988 YYTCRIKLJMBLDO-NJPLLEPOSA-N 477.405 4.692 10 10 JJCE COc1ccc(OCCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 20236518 JNZOUOPVODNLBU-JOPZDBJVSA-N 497.935 4.655 10 10 JJCE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc(C(C)(C)C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 39883604 SGVRKKMGBFVORJ-QHCPKHFHSA-N 482.646 4.555 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 40567344 FCFQEKUGYQSJEK-XGHPXPSOSA-N 478.573 4.571 10 10 JJCE CCn1c(/C=C\c2c(C)[nH]c3ccccc23)nc2ccc(I)cc2c1=O 102410457 QDLYQNLNHGACQR-LUAWRHEFSA-N 455.299 4.981 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526332990 LJPMOLZUVVQDJG-JOCHJYFZSA-N 450.878 4.767 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cc(Cl)cc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526408291 OHIQFBCEDVSELW-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 857707053 GBBSGWXAUUAGJC-KRWDZBQOSA-N 467.953 4.819 10 10 JJCE C/C(=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1C(F)(F)F 1127181861 ONRJIGXKCBOHIQ-KNTRCKAVSA-N 457.540 4.957 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1-c1ccc(Br)cc1 1860626145 BIGRUVMNCAQVSI-UHFFFAOYSA-N 493.423 4.860 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864018928 DPXWEMCHMFHPQC-NRFANRHFSA-N 496.995 4.500 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CC[C@H](C)C2 1866258516 AZDLXGHMFBFYPZ-ZFWWWQNUSA-N 497.642 4.959 10 10 JJCE C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867320248 PABQYLVGPGJHJC-GAJHUEQPSA-N 491.463 4.521 10 10 JJCE CCCCOCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870870742 MMVFXTIENQAQRA-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCCN(C)C)C2=O)cc1 1873421347 SFILFQGFEHERIB-UHFFFAOYSA-N 478.543 4.516 10 10 JJCE C[C@H](COCc1ccccc1)C[C@@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2270552110 IYWWEVLCVGKMLR-SQJMNOBHSA-N 453.627 4.987 10 10 JJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S 2294229254 BIDVJTJUJCYITF-UHFFFAOYSA-N 481.917 4.902 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 2295139313 NFUFOSAWMFIGLT-UHFFFAOYSA-N 454.356 4.858 10 10 JJCE Cc1cccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)c1 2296160433 RZZMWCVDFHODRY-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c1 2296565402 PUQKBHGNIZVGJW-UHFFFAOYSA-N 459.571 4.633 10 10 JJCE CN(C)c1ccc(C=Cc2[nH]c(=Nc3ccccc3)[nH]c(=Nc3ccccc3)c2[N+](=O)[O-])cc1 2297302342 DMLOEBAFQCNNHL-UHFFFAOYSA-N 452.518 4.952 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1O[C@@H](C)C(=O)O 2314931733 ICQADYQPZPSNNR-NSHDSACASA-N 494.388 4.715 10 10 JJCE Cc1ccc(CNCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c(O)c1Br 2352690961 UJWKMMIAQSKKFP-UHFFFAOYSA-N 465.363 4.694 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 1185412 NGEVRKXBVGXSCH-JABDDIKQSA-N 452.557 4.592 10 10 JJCE O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 20509126 ADNVHGRPCNGCAL-WQRHYEAKSA-N 484.942 4.844 10 10 JJCE COc1cc(C)ccc1OCCOc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1Cl 33448321 HZAPEROPZCEFGY-BIWYMFDESA-N 469.950 4.892 10 10 JJCE Cc1cccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1C 34782308 SMOQDTZJLMMRDS-DQRAZIAOSA-N 463.628 4.869 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 1084237678 AKLCOVDVSWKDGI-WQRHYEAKSA-N 496.273 4.592 10 10 JJCE CCOCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870943582 RSWDKHMIIFJDSZ-UHFFFAOYSA-N 492.620 4.534 10 10 JJCE CCCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162124 HLTGZTJIEANIHC-UHFFFAOYSA-N 496.655 4.838 10 10 JJCE COCCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419804 ARRAATZAJYJPPZ-UHFFFAOYSA-N 479.964 4.595 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)cc1C 2080022733 OFWPAYOMWWJMKZ-QGZVFWFLSA-N 452.336 4.920 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3ccc(Br)s3)cc2)CC1 2286067028 CKGXVACWUIHUAX-SFHVURJKSA-N 453.402 4.649 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2297344762 NBOJADDXUVWBKK-UHFFFAOYSA-N 463.519 4.983 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1cccc2cccnc12 2297368633 XKNCXWXYRDBIPQ-UHFFFAOYSA-N 451.548 4.994 10 10 JJCE COc1ccc2nc(NC(=O)CCCN3C(=O)C(=Cc4cccs4)SC3=S)sc2c1 2314563132 GERHEDLITDCXMP-UHFFFAOYSA-N 475.642 4.987 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(CC(C)C)C2=O)CC1 2314648468 ZBWXAHBPXVQQOV-UHFFFAOYSA-N 483.659 4.872 10 10 JJCE COc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 1124845 AWZJOYSOARLZHH-DHDCSXOGSA-N 451.323 4.772 10 10 JJCE CC(C)N1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2509005 VXFPEBDIBULCSX-ISLYRVAYSA-N 473.417 4.976 10 10 JJCE CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1=O 8644563 MGOOFSCVHKFCJL-SANMLTNESA-N 461.587 4.856 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NC4CCC(C)CC4)c4ccccc4n3)CC2)cc1 23426614 FMOFMJGFNFCNCE-UHFFFAOYSA-N 458.606 4.879 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 33559771 UQLYWSDUMHKLLF-ATVHPVEESA-N 452.869 4.528 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccc(Cl)c1Cl 33633396 ICLKJHSADYMXEW-GHRIWEEISA-N 476.356 4.926 10 10 JJCE O=C1/C(=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Nc1nc2ccccc2s1 35518541 DITAQRLPNSPEKF-CXUHLZMHSA-N 480.556 4.823 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c1 39983120 RNHOYMKTWGKXSJ-UDWIEESQSA-N 479.583 4.532 10 10 JJCE Cc1ccc(-n2nc(C)c3sc(N4CCC[C@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nc32)cc1 65081019 HDRRFZWEJWUGOJ-NRFANRHFSA-N 488.661 4.698 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2cccc(OC)c2OC)cc1 205970918 HIYNDNNFGKLESA-JJIBRWJFSA-N 473.529 4.858 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c1OC 526160180 XGZPYSRLUUJWDI-VWLOTQADSA-N 488.540 4.598 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526393448 PAWSDLMPGRGGAI-VWLOTQADSA-N 474.513 4.902 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730536396 UAPMIUZUPFXYPL-DEOSSOPVSA-N 454.929 4.752 10 10 JJCE COc1ccc(N2CCN(Cn3nc(-c4cccc(OC)c4)n(-c4ccccc4)c3=S)CC2)cc1 1086840850 JVUMZBLKMUXBIT-UHFFFAOYSA-N 487.629 4.867 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)CC1 1296482216 UYCJNCULFSYYBG-UHFFFAOYSA-N 451.611 4.908 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cccc(Br)c2n1 1866544329 QDMVOQKMOQLFLP-UHFFFAOYSA-N 473.282 4.731 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(COc5ccc(C)c(C)c5)[nH]c4c3)CC2)cc1 1872798388 VODCHKJZELMJPH-UHFFFAOYSA-N 470.573 4.730 10 10 JJCE CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 1874017795 WUNGHYODOMWEMC-INIZCTEOSA-N 481.504 4.845 10 10 JJCE Cc1ccc(C)c(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(=O)NC2=S)c1 2293769105 ZSZKMFOQMZPJMR-UHFFFAOYSA-N 487.581 4.549 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 2296760024 ZPPWJIAXNDKHHY-UHFFFAOYSA-N 450.564 4.685 10 10 JJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 2314761250 QQOOPLJZNUICQS-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1)C(=O)O 2314929517 NTBKTDMOSGYWGG-LJQANCHMSA-N 498.626 4.772 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1O 14457131 GXOOPHZSJPSURN-RLSLOFABSA-N 454.592 4.648 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 14475641 SGPCBMCCHDUNDU-OHUGHZGNSA-N 493.541 4.936 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15046678 PLBHXLSAXKWXSN-RCEBRVLHSA-N 452.479 4.639 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccs5)SC4=NC3=O)o2)cc1 33448098 GHIDMGFSLZBKPM-FAXLCBLLSA-N 476.539 4.852 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCCC)C1=O 33470528 SBDIGKITWGBDJH-SDXDJHTJSA-N 458.653 4.996 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39836039 ITFMTEOSSKZQBT-LDADJPATSA-N 451.573 4.633 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 47133738 ONBRGUYNBPSCRI-UYRXBGFRSA-N 478.599 4.701 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 104001926 GRZBKHOCHQHCHN-XDHOZWIPSA-N 498.324 4.605 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3Br)CC2)cc1 104781255 JVIYSRDDSPRTDD-UHFFFAOYSA-N 494.389 4.672 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)cc1 210420639 VYSMPSMUKPGSPH-HKWRFOASSA-N 456.589 4.792 10 10 JJCE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1705746166 QYHWHCKFDZUTCQ-UHFFFAOYSA-N 497.087 4.900 10 10 JJCE COCCN1C(=O)/C(=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 1858589368 XQCKRDYHVGRACD-NTUHNPAUSA-N 463.934 4.978 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 1860084771 KAYQCCCLLNIKQM-KGENOOAVSA-N 454.617 4.956 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(Cc4cccc(F)c4)n3)CC2)cc1 1862374364 OGJZPENDXHWTIW-UHFFFAOYSA-N 488.538 4.848 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCCCC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867985164 YARQKVXIVIHTEW-UHFFFAOYSA-N 461.585 4.998 10 10 JJCE CCOc1ccccc1OCc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872798054 GSFUKBJHGRPSOM-UHFFFAOYSA-N 486.572 4.512 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166532 CCKBTFUXXIDKOH-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE CCOc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1873506287 CIKZXNIKWDVKMT-UHFFFAOYSA-N 456.546 4.600 10 10 JJCE CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1 1873506304 CTEREPOOWRRHFB-UHFFFAOYSA-N 456.546 4.501 10 10 JJCE O=C(O)C[C@H](C(F)F)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952206635 NIJJJPOIJXHOPJ-UNMCSNQZSA-N 497.494 4.904 10 10 JJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C1(C)CC1 2079604008 WUYQSEQBVBFDJZ-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE Cc1cc([C@@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)sc1Br 2202302626 UGUYLTIAUQXGJH-MRXNPFEDSA-N 454.434 4.980 10 10 JJCE CCCCN1CCc2cc(C=C3C(=O)NC(=S)N(c4cccc5ccccc45)C3=O)ccc21 2296943414 ZPUJAHVCXLQFPJ-UHFFFAOYSA-N 455.583 4.834 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2297347733 XYAMUXCFIMBBHL-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2313657050 NICXDZAKNRPQEX-UHFFFAOYSA-N 498.365 4.507 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 2314828741 WYOIKCWHBDCEAW-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OCC 2323880140 VZXXYYYBVLJXDP-FQEVSTJZSA-N 486.659 4.997 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21 2533735 MDUKUDKEHFLUIH-FOCLMDBBSA-N 453.427 4.966 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(-c4nc(-c5cccc(F)c5)no4)cc3)CC2)cc1 33279018 BQOYFUYGVVXWSK-UHFFFAOYSA-N 458.493 4.514 10 10 JJCE O=C(CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1ccc(Br)cc1 33330945 KSWPSRWCRRZVFU-XWSNBJDESA-N 459.390 4.845 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490833 PLBFIWGLRVJMFM-WQRHYEAKSA-N 456.637 4.605 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33796005 CZZKGQCPBHNWFH-WOJGMQOQSA-N 485.034 4.880 10 10 JJCE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066552 PQEUIKKVYTVBNK-JCMHNJIXSA-N 492.670 4.754 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 65023585 YBNGOEYHMCLIGE-JOCHJYFZSA-N 461.585 4.662 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3c(C)nn(Cc4ccc(C)cc4)c3C)CC2)cc1 110358189 YILRMAUQQWSRCV-BUHFOSPRSA-N 458.606 4.664 10 10 JJCE Cc1ccc([C@@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 254398698 PQYIUBMQLAIFEL-MUUNZHRXSA-N 477.633 4.693 10 10 JJCE COCCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1565519892 LHNGOAAUIYMNDM-CVDCTZTESA-N 477.045 4.872 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCOC[C@@H]1OC 1705869647 AOZQGUQQXJEDNM-DHLKQENFSA-N 461.610 4.583 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2)c1 1860847959 DLUQMPDQZWMJPD-UHFFFAOYSA-N 479.584 4.609 10 10 JJCE CCC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145837 HUHJAFXDCXMVQD-VMMYIZNOSA-N 477.649 4.640 10 10 JJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 1865678200 ZBTMIIPBHJUEBB-WZUFQYTHSA-N 460.195 4.951 10 10 JJCE CCc1ccc2oc(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2c1 1866294060 QSBCFBXDWRHMQW-XMMPIXPASA-N 461.606 4.687 10 10 JJCE CC[C@@](C)(NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370485 ISEKDTLSZOKAQV-RPLLCQBOSA-N 485.072 4.648 10 10 JJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1c(O)cccc1Br 1951903838 AIIURCZCZWXFKV-DEOSSOPVSA-N 482.330 4.993 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 2053508988 KLESTBLDEYRJTJ-CQSZACIVSA-N 478.573 4.571 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)cc1C 2080030406 MJQJLYOCUFIGLC-CQSZACIVSA-N 494.251 4.917 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 2293606166 ZPVLBLLLHIGFAL-UHFFFAOYSA-N 476.916 4.773 10 10 JJCE CCCN1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N(c2ccccc2)C1=S 2294271291 RFEGWTLHTKGNIZ-UHFFFAOYSA-N 474.538 4.907 10 10 JJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccs3)=NN12 2296397857 BXDVXYLYEJSAHV-UHFFFAOYSA-N 474.567 4.873 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4c(C)[nH]c5ccc(C)cc45)C(=O)N=C3S2)cc1OC 2296400353 VRSHRPDBFAJNJN-UHFFFAOYSA-N 473.558 4.664 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 2297364448 OUWYZLQYEACQMI-UHFFFAOYSA-N 497.732 4.783 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c(OC)c1 2297470739 NASUNCURWSHRDI-UHFFFAOYSA-N 499.596 4.973 10 10 JJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)SC1=S 2314768266 KCQAYZNFBDOHOR-FQEVSTJZSA-N 457.573 4.598 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2Cl)c1C 1053635 NSPRFPULOPZELK-XAJRUKRBSA-N 454.954 4.599 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 33333296 UASFJWIUYFSMRX-GHVJWSGMSA-N 491.638 4.884 10 10 JJCE Cc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4ccc(Br)c(C)c4)C(=O)N=C3O)c2O)cc1 34221906 YHMZRZAEWMEHBT-WQRHYEAKSA-N 495.333 4.772 10 10 JJCE CCOc1ccc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc1OC 59860880 DGSJKLWGDMYUET-GDNBJRDFSA-N 473.323 4.980 10 10 JJCE CC1=CN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1 102464525 ZKQKSMHLVKZZKN-HJWIFZRKSA-N 486.322 4.974 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)SC2=S)cc1OC 102855215 LHYSCBBTYFAHQR-PXLXIMEGSA-N 495.578 4.960 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526274133 OGHNLOYKAJXGOT-NRFANRHFSA-N 471.868 4.965 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526395243 HQIHECSEFLJLJM-RUZDIDTESA-N 487.556 4.785 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1265565840 CCKRWIXEUHAKFT-YPDDLIOESA-N 455.299 4.832 10 10 JJCE CCOc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1865871592 XNEPGYLLENLYJE-XMMPIXPASA-N 483.653 4.906 10 10 JJCE CCOc1cccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1942703109 BZEUMEMMKSJPPV-UHFFFAOYSA-N 462.546 4.741 10 10 JJCE CC(C)(C)OC(=O)N1CCC(NCc2cc(Cl)cc(Br)c2O)(C(F)F)CC1 2235753690 MYBRSFNRFXIAFC-UHFFFAOYSA-N 469.754 4.933 10 10 JJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ncc(Br)cc1Br 2297100606 RNMIDTDRRSGUGV-UHFFFAOYSA-N 470.552 4.979 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 2297347642 QCIFLVRXNREMNS-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 2297561461 CXDYNZMRRHVCHQ-UHFFFAOYSA-N 465.350 4.767 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 2313558866 LOOJTNFYINQCKU-UHFFFAOYSA-N 498.923 4.626 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827439 DZVXQLKNGQKPPY-UHFFFAOYSA-N 481.477 4.844 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314836655 HZUWUAROJDHAGI-CYBMUJFWSA-N 474.991 4.745 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1OC)C(=O)O 2314930887 ANRQWVATJGCTCS-OAHLLOKOSA-N 463.964 4.996 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933349 ASTUHHMPBLLCRK-SFHVURJKSA-N 471.600 4.771 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc4nc(C)nc(N5CCCC[C@H]5C)c4c3C)CC2)cc1 2924467 FQQVRLCTKRCTFQ-QGZVFWFLSA-N 479.650 4.658 10 10 JJCE CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc(OCC)c1OCC 9529625 GVEPPIBFCBOVOW-QHCPKHFHSA-N 469.626 4.516 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1C 33317982 BACZCNCDNDBXHP-NSIKDUERSA-N 463.273 4.580 10 10 JJCE CC(C)(C)c1ccc(-c2nnc3n2N[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)S3)cc1 59168484 JWXFZPJZYOKYER-KRWDZBQOSA-N 476.356 4.967 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2cc(OC)ccc2OC)cc1 205960867 KLOWIADKVBGUJJ-LFVJCYFKSA-N 461.493 4.989 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526215520 WHXFRFHPJXOMBN-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526278493 ZSPHMGXIXFWKFA-XMMPIXPASA-N 475.497 4.730 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526411553 HDCNANWWMGECKI-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526505994 JULZUWPUNFYKPE-SANMLTNESA-N 473.573 4.893 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)c(O)c1 526547071 RXQGGLTXPXVNKY-JOCHJYFZSA-N 469.440 4.841 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)ccc(F)c1O 687755214 QZJFFBCYOUQNPB-RUZDIDTESA-N 453.441 4.899 10 10 JJCE COc1ccc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1868143114 RFZHSDJFCFEAIL-QHCPKHFHSA-N 498.579 4.664 10 10 JJCE CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287194 JIHLEBXYXVUZAR-FYJGNVAPSA-N 470.616 4.960 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(C3CCCC3)C2=O)cc1 1873169330 KATAMABIRHLXQN-UHFFFAOYSA-N 493.611 4.825 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 2293308751 NJAHVDJASGMBIT-UHFFFAOYSA-N 492.959 4.885 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 2293332619 NCOYYBYDDHHXDN-UHFFFAOYSA-N 464.319 4.523 10 10 JJCE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccccc2)N=C1C 2293582728 HRPQQDLPXISVTL-UHFFFAOYSA-N 473.485 4.867 10 10 JJCE O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 2293835808 LLBSONKWWPNTKY-UHFFFAOYSA-N 477.691 4.807 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 2294204919 TXYSPMMLYFXWEO-UHFFFAOYSA-N 497.916 4.738 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296547637 QNIMOXKQQIVMLF-UHFFFAOYSA-N 488.679 4.621 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2297364511 PPBCGEYLVWDCPG-UHFFFAOYSA-N 489.340 4.860 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C 2313549065 MIHDLLVMVDJCGP-UHFFFAOYSA-N 487.350 4.528 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](CC)C(=O)O)c(OC)c3)SC2=S)cc1 2314931475 FWEXQFJDXNUWCC-KRWDZBQOSA-N 473.572 4.742 10 10 JJCE CCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2508981 LNYYHSWNALFQSI-ISLYRVAYSA-N 473.417 4.977 10 10 JJCE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 13893080 HRPQQDLPXISVTL-XLNRJJMWSA-N 473.485 4.867 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N2O1 20236830 RAPPUGRRIZHGJX-ZWCAKHMGSA-N 451.910 4.865 10 10 JJCE Oc1ccccc1CN1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35925667 TXKOPAKADXMKQN-UHFFFAOYSA-N 490.611 4.824 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 40888740 DHVCHCVTIUCLMF-XLNRJJMWSA-N 485.627 4.861 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526567908 ZRWVGZCUHYYHDZ-RUZDIDTESA-N 490.531 4.752 10 10 JJCE CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](C)Cc1ccc(OC)cc1 731401643 KVTZDRYLAZYILC-SFHVURJKSA-N 479.543 4.713 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(Cl)ccc(O)c3[nH]2)sc(C)c1-c1ccccc1 1866553608 BHGOPLPJUFWTBJ-UHFFFAOYSA-N 468.918 4.963 10 10 JJCE CC[C@H]1CCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(CCOC)n1 1868254001 ANXCVAWKXCNHFQ-KRWDZBQOSA-N 456.546 4.563 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873168099 JAVPDNBWDLAFGZ-RHKCVOJBSA-N 491.632 4.542 10 10 JJCE O=C(CCCCCNC(=O)OCc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179806 QJKPPQPSMIBQSQ-UHFFFAOYSA-N 470.525 4.887 10 10 JJCE Oc1cc(Br)ccc1Cn1nc(C2CC2)c(C(F)F)c1I 2079731958 OIVPHEILNHFCNF-UHFFFAOYSA-N 469.067 4.819 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2cccc(OC)c2OC)cc1 2313683593 HRDTYCHYFKRADT-UHFFFAOYSA-N 488.500 4.758 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314415011 UOWVOBQJAOULDG-UHFFFAOYSA-N 456.637 4.749 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1C 2314736657 RHHYHPSPCNVTDT-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 39874956 KLZQOGMMZSMQPH-YVLHZVERSA-N 473.576 4.674 10 10 JJCE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 205959192 HMZIDLBVWQDZQU-XQNSMLJCSA-N 487.487 4.536 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 504214356 ONIYFPDUNXFTST-QNVWVOQGSA-N 498.966 4.911 10 10 JJCE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526365671 BAXSYDMMFDGSAV-AREMUKBSSA-N 473.573 4.893 10 10 JJCE CCCCOc1ccc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1OCC 1866003165 MOZCEIQEVOXIGY-XMMPIXPASA-N 450.583 4.583 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166155 FCCFGTKNJVRBHA-IBGZPJMESA-N 471.601 4.813 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423976 JZCAZDJZIJWVIJ-MRXNPFEDSA-N 458.518 4.993 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc3nc(NS(=O)(=O)c4ccc(F)cc4)sc3c2)c1 1873894693 VICYVNNFBJJZLC-UHFFFAOYSA-N 470.551 4.555 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C(F)(F)C1 2264433928 IZNJZFSXRQIMSB-CYBMUJFWSA-N 455.727 4.542 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2293109485 FEPPJLIFJBHBND-QGZVFWFLSA-N 474.947 4.615 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1Cl 2294124657 QQZJNDKMDGRWAI-UHFFFAOYSA-N 492.919 4.939 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 2294143670 XAKWTTNQONCLNI-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1C 2294244519 SNSMLCJGMOMCLT-UHFFFAOYSA-N 469.488 4.944 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CN1CCOCC1 2296833174 JBCFVZKBYIEJTN-UHFFFAOYSA-N 455.388 4.744 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 2297349681 ZADNHPWBOVHKSE-UHFFFAOYSA-N 499.639 4.934 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCCCC(=O)Nc2nncs2)C1=O 2297580179 XYCZGLZFQCNWMD-UHFFFAOYSA-N 458.634 4.885 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332114970 IMMIMYOANUHQIH-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(O)=NC(=S)N1Cc1ccco1 1135702 PSLFNVMOXSXPHM-MHWRWJLKSA-N 457.305 4.969 10 10 JJCE COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC 2157617 AMNWFVMQWGBSIP-ZONZVBGPSA-N 479.532 4.726 10 10 JJCE biogenic C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15047215 XSVJLIPQEBWDSK-QIQQCEGHSA-N 468.600 4.911 10 10 JJCE COc1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1OC 27515619 BKSQMAOUEKUQDM-DEDYPNTBSA-N 477.508 4.515 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 35624611 VFIFWEXUCKUZFE-WJDWOHSUSA-N 492.376 4.587 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCc2ccc(OC)cc2)SC1=S 40066822 QWHNRIYMZGMBDO-BKUYFWCQSA-N 496.658 4.670 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 96551518 MWLOVQCMCWVWOS-ADKREUBMSA-N 478.574 4.737 10 10 JJCE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 102826036 HIJFHRJUMZJJQF-SAGAUJLNSA-N 490.654 4.893 10 10 JJCE CCn1c(/C(Cl)=C\c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 729643873 JIUWIDYPFNQZGY-XMHGGMMESA-N 469.998 4.615 10 10 JJCE O=C(O)CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 1084287785 LOAIOLALUPRTFY-LZYBPNLTSA-N 454.356 4.858 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)C(=O)c3ccccc3C4=O)C2=O)c1 1860086758 FVCQAQQHKKWGSF-CIAFOILYSA-N 457.532 4.876 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1OC 1865677650 VPZSKWZUSUQZNB-ZROIWOOFSA-N 455.230 4.815 10 10 JJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc(Br)cc1 1865677813 FAUKNGOZCFWWMX-PDGQHHTCSA-N 464.275 4.897 10 10 JJCE Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867825858 ZSUBSTMVSOCOOG-URLMMPGGSA-N 498.671 4.876 10 10 JJCE CCN(CCc1ccncc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867972050 PKSJINWFNUSQSQ-UHFFFAOYSA-N 494.643 4.943 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)SC1=S 1871286863 AOLKXKMICMHXGU-RSZPVBOMSA-N 454.617 4.800 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873164112 MPPDRRKNFLLAKG-KBMIEXCESA-N 468.601 4.938 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873165554 NTSGPHRGJZFTAQ-UHFFFAOYSA-N 477.992 4.654 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cc(C)cc(C)c4)cc3)CC2)cc1 1874745853 OCQSINVSEFGSPC-UHFFFAOYSA-N 472.585 4.926 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1OC 2042446133 UPZQYNCSLDAIOW-UHFFFAOYSA-N 480.361 4.570 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2cc(Br)ccc2O)c1I 2079702501 QWYJDYZDWGDPQQ-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)cc1C 2080029570 AKKSAILARIZDRN-SFHVURJKSA-N 467.395 4.956 10 10 JJCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2080052982 QXGYHHPMYLMZAL-MRXNPFEDSA-N 484.334 4.587 10 10 JJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106856327 YCAWLZKOFAIKME-LOSJGSFVSA-N 454.659 4.819 10 10 JJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)SC1=S 2296712199 JLPMXBOLDRRSPN-UHFFFAOYSA-N 483.590 4.925 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 2297344650 NHSXCJCPKBJXHH-UHFFFAOYSA-N 482.587 4.572 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1O 2297560308 AJGJVGCTLRZFRZ-UHFFFAOYSA-N 471.749 4.582 10 10 JJCE CC[C@@](C)(NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330537563 AJMSPJVKJNBETD-RUZDIDTESA-N 490.431 4.649 10 10 JJCE O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1cccc(Cl)c1 1108165 YBVVEXWVGFDZCZ-RIYZIHGNSA-N 453.770 4.649 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 1160876 QSCYCUQOUKLAKT-BUVRLJJBSA-N 494.507 4.827 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCCOc1ccccc1 13943828 OEZIAZSQLVIZMT-KQWNVCNZSA-N 458.514 4.968 10 10 JJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 20070979 WYEGKJHZVZZVNK-AFMDSPMNSA-N 462.502 4.669 10 10 JJCE O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 33590400 YLTQOPXOCJXHTK-DEDYPNTBSA-N 475.551 4.961 10 10 JJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C[C@@H]1CCCO1 39983169 IIMIBDHAXBJHIW-DAQNXSASSA-N 453.614 4.981 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413654 AISFSKQKGGBVQA-DHIUTWEWSA-N 472.570 4.530 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@H](c3ccc(OC)cc3)C2)cc1 206363121 YJNZDUMLURBCKI-NHMXVPMISA-N 470.554 4.920 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526284853 SIFMLRGZQOKLED-DEOSSOPVSA-N 470.529 4.703 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526351864 VNDXLLIZVZOCMB-XMMPIXPASA-N 475.497 4.730 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727728801 MBNUWDKCMPTOTG-UHFFFAOYSA-N 472.520 4.673 10 10 JJCE COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)ccc21 728637015 GOHHZMDZNIYPKV-FQEVSTJZSA-N 463.578 4.689 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)o1 1084008155 HIYOULMFAKYRJN-PDGQHHTCSA-N 467.344 4.849 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)cc1 1084097649 NTXFOBQZRDOEQG-LDADJPATSA-N 465.303 4.992 10 10 JJCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084471488 GCZJEZRPQNIMQL-ZHZULCJRSA-N 453.410 4.674 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)sc(C)c1-c1ccccc1 1860747671 RSRBONOJRWODAC-UHFFFAOYSA-N 471.466 4.525 10 10 JJCE CCC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862254813 ZUXFNLGGAZNMRK-HHHXNRCGSA-N 487.600 4.735 10 10 JJCE CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866936489 KRJWLCFKPXQJGU-ZDXQCDESSA-N 484.527 4.628 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCc5ccccc54)nc(-c4cccnc4)n3)CC2)cc1 1868001153 SKJAYDOTYWGOMW-UHFFFAOYSA-N 478.600 4.958 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O 1873164902 XVNXXTFPWZPFHX-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE CCCCN(CCCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873546261 IQQMVKSZXZWDDH-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE Cn1c(CCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2cccc(Cl)c21 1874179456 FQVWLJXAEJCYKJ-UHFFFAOYSA-N 457.917 4.964 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1O 1951864292 VBQWSOZGNWHKFD-VWLOTQADSA-N 462.458 4.529 10 10 JJCE O=C1N=C(N2CCCCC2)SC1=Cc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1 2040598355 IXLDCHZDSQHNJO-UHFFFAOYSA-N 466.632 4.599 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079980672 IBGPLERTIVOKEO-QGZVFWFLSA-N 486.350 4.577 10 10 JJCE Oc1ccc(CNc2cc(Br)c(Br)c(Br)c2)c(O)c1O 2151784319 OPERTTDPVSXWKE-UHFFFAOYSA-N 467.939 4.703 10 10 JJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163126685 KWSDLWJSDBIYHL-LSYYVWMOSA-N 466.670 4.963 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 2296939568 WUZLVPHFLNWZLX-UHFFFAOYSA-N 485.279 4.926 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1 2297347617 NYIBYMGBHLCFLC-UHFFFAOYSA-N 461.518 4.692 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2[C@@H]2C=CC[C@H]21 14477944 PEDVDCUXMZMLMA-IPVFLDMMSA-N 475.570 4.942 10 10 JJCE COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(N2CCOCC2)cc1OC 20496336 WVNGIQUTYPIRHM-UHFFFAOYSA-N 477.926 4.569 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 20750026 GSEYBZMRYKZRPA-XCGNWRKASA-N 465.402 4.841 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCCCC2)SC1=S 39990197 BWXIBRMFGKFADL-HKWRFOASSA-N 472.680 4.820 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1OC 59370991 PVFXYFGRSZQIOW-YVLHZVERSA-N 465.394 4.737 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1C 102470029 QRCBXLUQCZUBJB-VSNPKZGJSA-N 483.553 4.645 10 10 JJCE CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 254303184 HWFQPESZPLIHIU-DEOSSOPVSA-N 484.512 4.905 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526143203 VAPUYCPUXBELFE-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526185733 ULMVJCFHYKDFSV-RUZDIDTESA-N 477.513 4.961 10 10 JJCE C[C@@](I)(c1ccccc1O)N(I)Cc1ccccc1 1088645079 HIBCUFMUJFKUAX-HNNXBMFYSA-N 479.099 4.852 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)[C@@H](C)C(=O)N2 1859572841 KZEWAWDNUSLLIF-SECBINFHSA-N 478.939 4.537 10 10 JJCE Cc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1Br 1860714973 GUMKVTAUOLJCGJ-UHFFFAOYSA-N 476.596 4.997 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3C(F)(F)F)c3ccccc3)CC2)cc1 1861926139 YBFBIJGQWVTHPQ-XMMPIXPASA-N 497.517 4.534 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873164043 JICXWVDTBOJFRM-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cc1 1874758762 ICIOZAOUKCRRKJ-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 2040592062 ZIDUUSJGPCWFTB-UHFFFAOYSA-N 495.337 4.878 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 2293990178 CKEJLGCKVZVXGD-UHFFFAOYSA-N 480.473 4.767 10 10 JJCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2297342285 MHKYEMFQYHBHKY-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C(=O)c4ccccc4)[nH]c4ccccc34)C2=O)cc1C 2297361514 QDQANEWDQPONLG-UHFFFAOYSA-N 463.493 4.682 10 10 JJCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314413644 CZGQMOCUQFEQNZ-UHFFFAOYSA-N 480.615 4.742 10 10 JJCE CCCOc1ccc(Br)cc1C=C1SC(=S)N(CCCC(=O)OCC)C1=O 2314759341 BWESNGJXUHGPJQ-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)SC1=S 2326951815 IKJPEKNRBAMXCZ-UHFFFAOYSA-N 454.548 4.895 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 2331397091 HJPCEKIDJOUJJJ-UHFFFAOYSA-N 495.027 4.674 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13640937 CKVUOQPROUORLE-JXQFQVJHSA-N 472.607 4.569 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475936 GGEAYAAODCGXKR-KHCICDEESA-N 471.579 4.938 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152273 QKMCIAKOSFDWLA-RGEXLXHISA-N 471.560 4.701 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 213145935 IGRISUOZTHROSX-PDGQHHTCSA-N 451.573 4.652 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 229094432 PUKJVUQLNLLGSH-TXSSHTDISA-N 458.587 4.927 10 10 JJCE COCCn1c(C)c(C)c2cc(C(=O)NCC3(c4cc(C)ccc4OC)CCOCC3)ccc21 483329283 ZPZRUMKQGFYRGL-UHFFFAOYSA-N 464.606 4.700 10 10 JJCE O=C(N[C@@H](C(=O)O)c1cc(Br)ccc1O)OCC1c2ccccc2-c2ccccc21 642885052 XYXSXPICKXESAD-OAQYLSRUSA-N 468.303 4.819 10 10 JJCE Cc1noc(C)c1COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858858939 GIXSQDLRBNLWDO-UHFFFAOYSA-N 468.469 4.685 10 10 JJCE CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867049465 ASGMEERCDUEAAD-OYRHQHFDSA-N 480.564 4.879 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)C2=O)cc1 1872956056 AWZMYTUWTVVRLB-UHFFFAOYSA-N 458.514 4.749 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873165754 SXRMZPMIJMGYJJ-UHFFFAOYSA-N 477.992 4.654 10 10 JJCE Cc1cc(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccc1 2053513117 IFUFJMFZTIEFPE-UHFFFAOYSA-N 471.557 4.713 10 10 JJCE O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc(C(F)(F)F)c1 2295170748 RDEGHTVWLAVWOJ-UHFFFAOYSA-N 495.504 4.856 10 10 JJCE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2296709100 WIRYCAAJYDIVTH-UHFFFAOYSA-N 490.654 4.883 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3c(C)cccn3c2=O)SC1=S 2314414899 QBVAIZRQIYKIIG-MRXNPFEDSA-N 458.653 4.852 10 10 JJCE CCC[C@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330431556 SYPWNIKDWCYQIG-QHCPKHFHSA-N 490.431 4.649 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc(Br)c1O 2332107011 DZXDXTKDVBDMJB-UHFFFAOYSA-N 463.331 4.993 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139684 HGXHJNUKMRMZFE-UHFFFAOYSA-N 489.494 4.681 10 10 JJCE C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1O 9594551 FWLYOJOWJGWTGG-YZUZCNPQSA-N 479.330 4.596 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3c(F)c(F)c(F)c(F)c3F)SC2=S)cc1OC 12368486 POBCOBIPTUDPMG-MDWZMJQESA-N 475.460 4.843 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cccc(F)c3)CC2)cc1 15727904 LZTTVEMYEPHATL-UHFFFAOYSA-N 473.504 4.795 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OC 16930507 ZHJDVQJDFZIJSI-MOSHPQCFSA-N 457.573 4.907 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)c(C)c1 34721788 PIQKWJGWAOGIRH-LDADJPATSA-N 451.573 4.713 10 10 JJCE COc1ccc(N2CCCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CC2)cc1 108431383 GFEUAWZLUHMADR-UHFFFAOYSA-N 477.630 4.613 10 10 JJCE Cc1ccc(N2C(=O)/C(=C3\C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c(C)c1 108589797 WPJPJWMWPLGEME-QURGRASLSA-N 463.628 4.869 10 10 JJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC1CCCCC1 1705835288 GFRWLQKLKLHUDL-UHFFFAOYSA-N 460.626 4.814 10 10 JJCE CSCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860601961 IBPGWOSHGSGYPW-UHFFFAOYSA-N 498.604 4.816 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(C)cc1 1860761479 VPKAEVGASHAWOL-OYSPMZIOSA-N 454.592 4.698 10 10 JJCE CC(C)(C)OC(=O)N1Cc2sc(=NCc3c(O)cccc3Br)[nH]c2C1(C)C 1916935452 MKCIDUGRVIPMIM-UHFFFAOYSA-N 454.390 4.631 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C=O)c2I)C2(C)CC2)cc1C 2079980109 ZGVRZQZSHXWNOL-GOSISDBHSA-N 450.320 4.890 10 10 JJCE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccc(N2CCCCC2)cc1 2106868858 YVASMOBNLAPPGS-RPBOFIJWSA-N 452.643 4.702 10 10 JJCE CCN1CCc2cc([C@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163123663 NWFPRDGEIAMXQH-VWLOTQADSA-N 464.654 4.628 10 10 JJCE Cc1cccc(OCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)c1 2293653488 UFMIAPDJGINSRK-UHFFFAOYSA-N 450.379 4.704 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 2294143549 LJJUSLQPNWOGHB-UHFFFAOYSA-N 462.937 4.587 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 2297458023 GGFQJGDPURNHAR-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 2314836912 LQSMJGUCECTUDA-LLVKDONJSA-N 482.505 4.648 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Br)cc2)[C@@H]2CC=C[C@H]32)CC1 13639062 KLXMIGAOBRGBSZ-JQVVWYNYSA-N 452.396 4.663 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccc(Cl)cc3)O4)CC2)cc1 32983563 XRALBEMPTFXVLZ-XYGWBWBKSA-N 489.959 4.683 10 10 JJCE O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(F)cc1 39793862 OAWBNORJTZBACO-NDENLUEZSA-N 468.531 4.838 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1Br 40885098 LAVVZXYONQBKPU-YBEGLDIGSA-N 470.410 4.535 10 10 JJCE CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 254010585 LVEYPWQNSYTBLO-UHFFFAOYSA-N 482.400 4.889 10 10 JJCE CCc1sc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860645511 AZYFHMLJSXYTHS-OAHLLOKOSA-N 493.423 4.724 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)N2CCCCC2)cc1 1865975808 NITBBWOWEQLUDP-HSZRJFAPSA-N 469.427 4.953 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)ccc(C)c3c2=O)sc(C)c1-c1ccccc1 1866428137 OKCCWUFXGFQHCY-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE CCCCOCCCN1C(=O)C(NCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166967 MTKYPCAGGCUOHW-UHFFFAOYSA-N 451.611 4.626 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873169880 HCAJELTWUYWSEO-DVECYGJZSA-N 463.622 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873170470 AWTBYWRNIOZDOT-AREMUKBSSA-N 483.612 4.575 10 10 JJCE CCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421558 FCJVQCIQFSGQKY-UHFFFAOYSA-N 458.518 4.994 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(F)cc4F)c4ccccc34)[C@H]21 1873884923 IUOKNRNKIWEBHE-SANMLTNESA-N 472.495 4.705 10 10 JJCE Cc1cccc(C)c1NC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccccn3)c2C)C1=O 2294017361 DJYOQCCFWYDUOV-UHFFFAOYSA-N 460.559 4.781 10 10 JJCE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1OC 2296270553 ZUESEQSUXKSRDO-UHFFFAOYSA-N 495.535 4.557 10 10 JJCE COc1cccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2296936239 JEDZSSXRGXLPMJ-UHFFFAOYSA-N 499.498 4.534 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl 2313548841 GZYKPBLSPRRUCE-UHFFFAOYSA-N 476.916 4.902 10 10 JJCE O=C1C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2314506480 DKMAZUAFYUZQQN-UHFFFAOYSA-N 467.547 4.770 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 2314648373 YJIUXLPMEVTKHK-UHFFFAOYSA-N 479.602 4.920 10 10 JJCE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2361407786 CMJSIBDPPUTBLN-NRFANRHFSA-N 474.646 4.644 10 10 JJCE CCOc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc(OCC)c1OCC 9529626 GVEPPIBFCBOVOW-HSZRJFAPSA-N 469.626 4.516 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 27531741 ONVRCWLMBMIMHC-PXLXIMEGSA-N 473.616 4.617 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33516604 NBLGMJOTXPWBMI-LVZFUZTISA-N 478.643 4.741 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 35638330 ROBWGRGBYTYGNR-ATDKOCKZSA-N 486.354 4.773 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 40324268 QQIKMRZHBNDXMF-BKUYFWCQSA-N 463.584 4.558 10 10 JJCE Cc1c(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C 65008894 MFSWWHLEHUKPGQ-UHFFFAOYSA-N 484.622 4.808 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 210716616 SYYJSOSWFGIATE-LICLKQGHSA-N 482.505 4.737 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 213167615 FMXWUFKOWKAJCP-CYVLTUHYSA-N 481.599 4.887 10 10 JJCE C[C@@H]1CN(c2ccc(CNC(=O)COC(c3ccccc3)c3ccccc3)cc2F)C[C@@H](C)O1 917708386 BECMWYKVTNNYPH-NHCUHLMSSA-N 462.565 4.862 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2CC)sc(C)c1-c1ccccc1 1860747618 QDCYCYIAXSRFFO-UHFFFAOYSA-N 493.585 4.998 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1867943970 GTXPCCKCQUHMAL-OAQYLSRUSA-N 475.427 4.945 10 10 JJCE CCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870686489 RGZPMLUQUSCXTD-UHFFFAOYSA-N 489.660 4.991 10 10 JJCE CCCCOCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870787679 LVVBVFDTURTZGP-UHFFFAOYSA-N 465.594 4.782 10 10 JJCE CCNC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971702 SEERFVAVVBBBKF-UHFFFAOYSA-N 462.594 4.765 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873166419 PDJOZJCTJUPUNH-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424604 PURIDUFAWKINJD-MRXNPFEDSA-N 453.546 4.961 10 10 JJCE O=C(CCc1ccc(Br)cc1[N+](=O)[O-])NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891344812 XWYMZRXDCGXZJH-JXFKEZNVSA-N 458.356 4.595 10 10 JJCE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cccc(O)c1O 1951961298 GUYLJDOTCLJOJP-JOCHJYFZSA-N 461.514 4.757 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 2294133725 DNCXPRRTOUPJFG-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(-c5ccc(Cl)cc5)o4)C(=O)N=C3S2)CC1 2297352575 CEUOVSIJMTXFPH-UHFFFAOYSA-N 453.955 4.909 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)cc1 2314414325 WBZXUJJWKFZCQF-GOSISDBHSA-N 490.654 4.783 10 10 JJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836370 DQQOJDFZWBPITB-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323688001 GUBXPIRNJQGHOV-UHFFFAOYSA-N 472.975 4.660 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 14546694 GSEYBZMRYKZRPA-PONJGIIJSA-N 465.402 4.841 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)ccc1OC 59861424 DXZVSKFIDKLMJG-XNTDXEJSSA-N 473.323 4.980 10 10 JJCE C[C@H](NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(N2CCOCC2)cc1 109184371 YXXMFULXUUQEIU-FZNBYNMYSA-N 479.584 4.662 10 10 JJCE Oc1c(Cl)cccc1CNc1cc(I)cc(I)c1 690368421 UTROBJYCLJRHDO-UHFFFAOYSA-N 485.490 4.867 10 10 JJCE C[C@H]1Oc2ccc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc2NC1=O 913099073 GMLGKEMRQHRPNB-QVKFZJNVSA-N 455.474 4.565 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCS1 1705622533 KWYZTHOWQBNTRC-HSZRJFAPSA-N 463.651 4.724 10 10 JJCE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCSCC1 1705711242 FGUQEGJIJFSRJF-UHFFFAOYSA-N 464.683 4.804 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(OC)c2)sc(C)c1-c1ccc(F)cc1 1860746921 KNAIVYACYLDNFR-UHFFFAOYSA-N 456.495 4.625 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(O)ccc(C)c3c2=O)sc(C)c1-c1ccc(C)cc1 1866467896 XCYGMGZDFKWMBN-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](CC)c2cc(C)c(C)cc2O)c1I 2079979045 KIVPKINMWASWAZ-OAHLLOKOSA-N 468.335 4.864 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(C)cc1 2297463231 RETWOFPUKCRNGV-UHFFFAOYSA-N 472.541 4.703 10 10 JJCE Cc1cccc(CSc2nnc(NC(=O)CN3C(=O)C(=Cc4ccccc4)SC3=S)s2)c1 2314578189 GEMIOXLKISXVGN-UHFFFAOYSA-N 498.680 4.979 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 2314831041 BBVQTLVCPFSBBY-UHFFFAOYSA-N 474.579 4.940 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccccc2Cl)C1=O 3191585 FKCFMFYDCPNFCE-YPKPFQOOSA-N 451.754 4.831 10 10 JJCE Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 15037436 ZFAYYGNCHIMKHN-BOPFTXTBSA-N 477.405 4.693 10 10 JJCE COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@H](C)O[C@@H](C)C4)c23)cc1Cl 17418527 VKYLTUMTTHDGNC-KBPBESRZSA-N 458.942 4.970 10 10 JJCE COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@@H](C)O[C@H](C)C4)c23)cc1Cl 17418531 VKYLTUMTTHDGNC-ZIAGYGMSSA-N 458.942 4.970 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)cc1F 248131121 WZLRNSLLYMEREO-HHHXNRCGSA-N 473.504 4.938 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526382300 RJSDTUVVAKLCNT-SANMLTNESA-N 490.556 4.844 10 10 JJCE Cc1cc2c(n1-c1cc(I)cc(I)c1)CCCC2=O 690318090 XSRGXRVPLCYSIZ-UHFFFAOYSA-N 477.083 4.514 10 10 JJCE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1Cl 1084422581 NUUPECOLZYERFM-BKUYFWCQSA-N 491.931 4.543 10 10 JJCE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(N(C)C)c(F)c1 1705606794 FXVMKVOERILHCQ-UHFFFAOYSA-N 451.615 4.988 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(F)cc4)c4ccccc34)[C@H]21 1860345235 WELBAEWERAPHDB-MHZLTWQESA-N 468.532 4.956 10 10 JJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347252 FGZNILKAPPELIL-MHZLTWQESA-N 450.542 4.735 10 10 JJCE COC(=O)c1c(NC(=O)c2ncccc2OC)sc(C)c1-c1ccc(Br)cc1 1866047395 CZNKVSFTBRXDJX-UHFFFAOYSA-N 461.337 4.929 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(C)ccc(OC)c3[nH]2)sc(C)c1-c1ccccc1 1866507510 WWRRZNJRQDZEJP-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE CCOC(=O)CCCOc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870793920 PEZPJSGXJGGLMT-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427123 CYCFGRFMGWSNPZ-UHFFFAOYSA-N 496.611 4.583 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C=O)c2I)cc1C 2080022732 OFWPAYOMWWJMKZ-KRWDZBQOSA-N 452.336 4.920 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(c2cccc(C(=O)O)c2)C1=O 2293704391 NBOJTLXQEVUKSW-UHFFFAOYSA-N 464.362 4.952 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N([C@H](C(=O)OC)c2ccccc2)C1=O 2314766811 CDHGTAWMBFIBCD-SFHVURJKSA-N 492.416 4.963 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 2314828112 QLKOYJXCQOUZDL-UHFFFAOYSA-N 481.624 4.952 10 10 JJCE O=C(O)CCCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S 1820777 OMAHMNKEVZUXAY-QZQOTICOSA-N 484.574 4.589 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1 15035487 UOVUDKSFRKABDX-DHDCSXOGSA-N 467.797 4.942 10 10 JJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 20071086 LKIXHDYCUAZEHX-NFQMXDRXSA-N 476.529 4.977 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(F)(F)F)c1 33317880 WJKSCWYPRHDXBU-RQZCQDPDSA-N 480.489 4.664 10 10 JJCE O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccccc1F 39793841 MVHXRSFDNCANEP-NDENLUEZSA-N 468.531 4.838 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)sc2c1 39875026 VSPRAAKJRCHHLK-YVLHZVERSA-N 473.576 4.674 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nccs1 1705590334 IISLQHXMANQMSG-UHFFFAOYSA-N 454.603 4.515 10 10 JJCE CCN(CC)Cc1ccc(COC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1 1857869987 DBCVWQKTOICJNL-UHFFFAOYSA-N 483.834 4.873 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1OC 1858588038 NIFZFQCBTBIQCM-RONKMWSCSA-N 457.573 4.901 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(C)ccn2)sc(C)c1-c1ccc(Cl)cc1 1860747180 YAJGIQZKFWAFAV-UHFFFAOYSA-N 457.939 4.834 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(C)ccc4ccccc34)c3ccccc3)CC2)cc1 1861905815 NLUSEQMSDGHKST-LJAQVGFWSA-N 493.607 4.977 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2C)cc1OC 1865675676 URSCQXQMRXCHET-XQNSMLJCSA-N 463.578 4.524 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCCN2)sc(C)c1-c1ccc(Br)cc1 1866038858 FQGCXADNSYFORC-HNNXBMFYSA-N 451.386 4.743 10 10 JJCE CC[C@@](C)(NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867155747 XACFTEFAXWIJGB-HHHXNRCGSA-N 489.597 4.888 10 10 JJCE CC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714334 NWXYIRSUNVFHPV-AZGAKELHSA-N 483.628 4.516 10 10 JJCE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873425046 ZMCDJCPSLXINFS-UHFFFAOYSA-N 471.557 4.871 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053508625 CIJZWPZWCUZQDM-CQSZACIVSA-N 498.991 4.916 10 10 JJCE C[Si](C)(C)CCOC(=O)CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2294821349 HYMXJBZQBUNRQZ-UHFFFAOYSA-N 490.635 4.937 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 2295924254 JUXWHIAJTMLJPO-UHFFFAOYSA-N 460.964 4.658 10 10 JJCE Cc1cc(C=C2C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)c(C)n1-c1ccc(F)cc1 2296307094 UIRFSJXPWPRAGA-UHFFFAOYSA-N 494.573 4.506 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NC3CCCCC3)nc12 2314414792 MLUFGLSCHJYVHP-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE Cc1ccc(Sc2oc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2Br)cc1 27549992 BSSUUYSLJCEFIH-NTUHNPAUSA-N 470.391 4.788 10 10 JJCE CCOC(=O)COc1c(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cccc1OC 33458444 SJXWAPUEFXAQSH-VCHYOVAHSA-N 493.990 4.705 10 10 JJCE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 33469498 CKGORAMPYGLCBK-HYARGMPZSA-N 492.670 4.748 10 10 JJCE N=C1/C(=C\c2cccc(OC(=O)c3cccs3)c2)C(=O)N=C2SC(c3cccs3)=NN12 33868970 WQXCZGWUVMNQSR-GQLQIFLCSA-N 464.553 4.696 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nc2ccc(F)cc2s1 39874953 BZUCVJMITBTDHI-SXGWCWSVSA-N 461.540 4.805 10 10 JJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1 59135873 QESAEXQLZWBKFG-MOSHPQCFSA-N 477.517 4.830 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 97447377 OUXWTWPSTPEDQR-GIJQJNRQSA-N 476.360 4.704 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1O 108420137 UJQJLSNGAFFKQJ-ZNLNQYBNSA-N 492.539 4.829 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3CN3C(=O)c4ccccc4C3=O)cccc21 170556403 QHFLPSZKRAUAAY-QZTJIDSGSA-N 492.531 4.503 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 210688233 DKLONDCUUCGPCE-LDADJPATSA-N 467.597 4.562 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226834188 GGEAYAAODCGXKR-IECBHUPTSA-N 471.579 4.938 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015950 XPYOJXYQBIQWJQ-QFIPXVFZSA-N 490.604 4.618 10 10 JJCE CCCC[C@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267426 GOLLZFOKOQZCQB-QFIPXVFZSA-N 497.576 4.999 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O 1873164909 YDARJYLFZABOJM-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(C3CCCCCC3)C2=O)cc1 1873164961 AQVDAUHRRJBXIA-UHFFFAOYSA-N 463.622 4.911 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c2C)cc1 1874192331 IKJCJNVQSYTXFX-UHFFFAOYSA-N 489.601 4.863 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2196849417 PQEJFAKPSUBYSP-IBVKSMDESA-N 476.662 4.510 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 2296881598 QKKNIVQCIBWDPQ-UHFFFAOYSA-N 452.557 4.561 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 2296881746 YRSJMQDGXGEYAQ-UHFFFAOYSA-N 485.612 4.544 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1OC 2296881778 ZWNGKRICFJDXQE-UHFFFAOYSA-N 486.615 4.559 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 2297342141 CHWNXXGSXAPVAP-UHFFFAOYSA-N 498.564 4.972 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1C 2297347598 LVTWDJSXPFMREM-UHFFFAOYSA-N 461.518 4.692 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2297347830 RFLGICAZVHTPMV-UHFFFAOYSA-N 482.880 4.676 10 10 JJCE Cc1[nH]c2ccc(Br)cc2c1C=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O 2297360005 NAEMIOAFVDTVHU-UHFFFAOYSA-N 472.408 4.756 10 10 JJCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314413994 MZNBMXZAVKAHDT-UHFFFAOYSA-N 494.617 4.980 10 10 JJCE CCCCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650483 JTBLXROMAIZZHY-UHFFFAOYSA-N 482.675 4.718 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1[N+](=O)[O-] 2321630809 VCMRKMSYQPQUPJ-UHFFFAOYSA-N 451.869 4.571 10 10 JJCE O=C(O)c1cccc(CN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1 2326973128 JDWPNPKBIBGMLM-UHFFFAOYSA-N 452.326 4.688 10 10 JJCE Cc1ccc(C=CC(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)cc1 2328795169 VLVOZUCGCKYCQQ-UHFFFAOYSA-N 482.628 4.671 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141311 ORYHXAQQCVEKMA-UHFFFAOYSA-N 485.496 4.513 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 15037665 XAFARHQMJCCSGA-YBEGLDIGSA-N 481.368 4.524 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 34696856 MRGGNBGUUJFCJE-MRCUWXFGSA-N 451.617 4.725 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 64929117 HRRYQSTWTGMZTM-JOCHJYFZSA-N 461.585 4.662 10 10 JJCE CCOc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1OC 71933409 CPEVDEYWRDOJHR-QPJJXVBHSA-N 498.929 4.932 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 108432307 GBJGVBYLBGVORN-ONNFQVAWSA-N 468.447 4.650 10 10 JJCE CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 1265001619 CVANPPQXPPJCQL-GOSISDBHSA-N 450.501 4.633 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)CC2)cc1 1872798226 POLXBSYTPRBAHH-UHFFFAOYSA-N 460.965 4.778 10 10 JJCE C[C@@H](N1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O)C12CC3CC(CC(C3)C1)C2 1874017740 UUVCUZCFKSIQJN-ZTDRMWJTSA-N 496.607 4.854 10 10 JJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106856328 YCAWLZKOFAIKME-RPBOFIJWSA-N 454.659 4.819 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccccc3I)C2=O)cc1 2297303320 LEWMKONBTZTWMH-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313547751 AZXSJZPUDPLRFB-UHFFFAOYSA-N 477.742 4.948 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CCC(=O)OCCC)C2=O)cc1OC 2314741267 XETNANSFHUSSQE-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE CSCC[C@@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330453903 CPJLUVRGRGUUHD-XMMPIXPASA-N 498.604 4.742 10 10 JJCE CCOCCCNc1cc(N2CCC(C(=O)OCC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857850 XEXQRTWISWAPJP-UHFFFAOYSA-N 477.561 4.657 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 33446925 FREATLCQFIGACA-FRKPEAEDSA-N 470.355 4.871 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 39770882 JINGLRXHUNFRAS-UHFFFAOYSA-N 499.589 4.710 10 10 JJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990219 PAZSCZUNAPXDOG-QNGOZBTKSA-N 484.691 4.963 10 10 JJCE COc1cc(/C=C2/SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)ccc1O 206363910 BFPQWWBOUXCZDP-PGLVWIQMSA-N 471.538 4.928 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(N(C)C)c2)[C@H]1c1ccc(O)c(O)c1 526510116 MXCSZHXNOHEJBJ-DEOSSOPVSA-N 476.529 4.628 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)CC2)cc1 1862281200 KQLRMDUTWDRTDX-HHHXNRCGSA-N 485.628 4.813 10 10 JJCE CCc1sc(NC(=O)c2cnc(C)cn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866001019 WDCRUILZINZVEQ-UHFFFAOYSA-N 460.353 4.877 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c2nccn2C)cc1 1866104750 FLEGNPPPKRXLPZ-DEOSSOPVSA-N 472.976 4.890 10 10 JJCE CCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866936487 KRJWLCFKPXQJGU-FIXSFTCYSA-N 484.527 4.628 10 10 JJCE CCCCn1c(C(=O)N(CCC)CCC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554813 ZDGVSFRUFVANQH-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc(F)c1 1873859831 FTVYGIHULDNQRT-UHFFFAOYSA-N 452.489 4.742 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNCc1cc(Br)ccc1O 2194004244 XVMLARMZAUUCNN-INIZCTEOSA-N 453.402 4.840 10 10 JJCE CCOc1ccc(-n2cccc2C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 2297346869 RTHACSFNHLHXGU-UHFFFAOYSA-N 455.543 4.738 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2321635435 GUSNTSRUDLZRAW-UHFFFAOYSA-N 451.869 4.571 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1 2332139272 NJWIDLNOCGGFAK-UHFFFAOYSA-N 460.917 4.965 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)o1 33337549 LRRUSJWKFORAQM-ODLFYWEKSA-N 455.517 4.819 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)c1 39835896 RTIJJCYSLAPUKD-LDADJPATSA-N 451.573 4.713 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc4ncnc(NC[C@@H]5C[C@H]6C=C[C@@H]5C6)c4c3C)CC2)cc1 253589188 SGSYNIFPAPJQJJ-ZCNNSNEGSA-N 489.645 4.595 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526393446 PAWSDLMPGRGGAI-RUZDIDTESA-N 474.513 4.902 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526630391 JPYIPRIJIMWSDH-VWLOTQADSA-N 490.556 4.844 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 1084456303 NICXDZAKNRPQEX-APSNUPSMSA-N 498.365 4.507 10 10 JJCE CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1O 1465840534 CVVAGEQOYAUKFS-UHFFFAOYSA-N 458.308 4.558 10 10 JJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(CCc3ccc(OC)c(OC)c3)C1=O)cn2C 1858589865 NGZNCAYJZXEGOA-WSDLNYQXSA-N 468.600 4.648 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1OC 1860086877 MSJCHNUVJJONRH-XSFVSMFZSA-N 453.589 4.804 10 10 JJCE C[C@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347268 GPJAZTSEXGWIAC-IIMAJNMQSA-N 492.623 4.926 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860759172 XASJFNZNLXXUHT-LLVKDONJSA-N 467.385 4.516 10 10 JJCE CCCOC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871233360 LNPJIDSTGAFOEI-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE Cc1ccc(CN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873163914 CJMOAABGIKYJBB-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE COc1cc(Cl)cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952944516 CSOOPOYJISGOAM-RLWLMLJZSA-N 479.916 4.893 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2cc(C(F)(F)F)ccc2O)c1I 2079693771 JCRJYPPSMPECPH-UHFFFAOYSA-N 450.242 4.874 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080043451 VAYGMZRQTIQDCB-SFHVURJKSA-N 463.372 4.978 10 10 JJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3)C2=O)cc1 2296397939 IGMALDGGAZAJGC-LJQANCHMSA-N 457.530 4.747 10 10 JJCE CCOc1ccccc1NC(=O)CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296754062 YHYANNLLULPVMN-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2297089955 GYZXBJITUWBWEU-UHFFFAOYSA-N 483.553 4.515 10 10 JJCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 2297504578 VTKVTNMCYFDSLS-UHFFFAOYSA-N 464.861 4.527 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)on2)cc1 2314913630 JIXOIJWVOKUMCK-UHFFFAOYSA-N 481.574 4.697 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141299 RXRLSTFFZBLLET-UHFFFAOYSA-N 458.514 4.864 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 33419712 HGIFMDJYVGCRAL-VTGHKQSHSA-N 468.538 4.942 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)cc([N+](=O)[O-])c1O 34234825 RZMZHPPEZHADQE-VZUCSPMQSA-N 499.785 4.878 10 10 JJCE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(C)n1-c1cccc(Br)c1 108785231 STVUBLWIOCVOSQ-GOSISDBHSA-N 473.396 4.556 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 1083936068 NUYZFHLKCSLSPO-ZHZULCJRSA-N 464.568 4.969 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Nc1ncccc1OCC(=O)c1ccccc1 1858865624 WJTLLDAOBGULGE-UHFFFAOYSA-N 477.476 4.763 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C)cn2)sc(C)c1-c1ccc(OCC)cc1 1860748238 UAVDQTRYCMFWRJ-UHFFFAOYSA-N 467.547 4.580 10 10 JJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864015695 CYZCGMLHLOOMQT-QFIPXVFZSA-N 488.588 4.515 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1865887811 XTRWPPUFFNVBHE-HHHXNRCGSA-N 455.602 4.941 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868852137 MXEBMAOVSFYQQM-IZZNHLLZSA-N 483.628 4.598 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(N5CCCC5)cc4)cc3)CC2)cc1 1872884523 WSYMHVFZFKOJNJ-UHFFFAOYSA-N 470.617 4.870 10 10 JJCE CCCCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1872956303 JDOMCYGPGZYMOP-UHFFFAOYSA-N 458.514 4.894 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873932882 ULMBKGMZJCPKBC-UHFFFAOYSA-N 493.523 4.820 10 10 JJCE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 2053513291 LPVYRKRHRBEQIE-OAHLLOKOSA-N 476.532 4.708 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)cc1C 2079987362 SYZWQYOJJRVICD-SFHVURJKSA-N 454.352 4.815 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080004431 AIDYCPBUWLTEGT-KRWDZBQOSA-N 456.368 4.845 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2080043471 VHVNFBRIFDXNSF-LLVKDONJSA-N 482.240 4.615 10 10 JJCE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2140776799 KNFXIKVZRCAGRA-SFHVURJKSA-N 464.651 4.601 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)C[C@@H]1C(F)(F)F 2279240063 GRSMURBXCNPANI-XHDPSFHLSA-N 453.299 4.575 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4ccc(-c5ccc(C(=O)O)cc5)o4)C(=O)N=C3S2)c1 2293794959 SNNNOSJMEFMQQP-UHFFFAOYSA-N 486.509 4.651 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 2297313886 CQASGBSZPSKSSW-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OCC)c1 2297560379 FQSQESLDDOOAAS-UHFFFAOYSA-N 465.358 4.622 10 10 JJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 16911410 XPFYISMTAYZMID-MHWRWJLKSA-N 453.463 4.965 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(Cl)ccc1O 16922704 WYIZSPMNNXFCTC-SXGWCWSVSA-N 484.933 4.877 10 10 JJCE COCCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)s1 23539057 GLASHBVQCXUDJB-UHFFFAOYSA-N 454.980 4.771 10 10 JJCE CN(C)c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1Br 33927646 LZOIGYOHNUOGGK-ZSOIEALJSA-N 493.155 4.784 10 10 JJCE CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 40940640 MPKBVLRCDIBUQS-GZTJUZNOSA-N 477.405 4.702 10 10 JJCE O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)CC1 96904914 LCXFZWQWYIBFPD-GHXNOFRVSA-N 475.589 4.686 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526282553 VQCWCJIJJVTTDR-VWLOTQADSA-N 487.512 4.829 10 10 JJCE CCc1ccc2oc(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2c1 1866294059 QSBCFBXDWRHMQW-DEOSSOPVSA-N 461.606 4.687 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164324 WMQKBXVBIFVWNE-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(C3CCCCC3)C2=O)cc1 1873167528 LGKFDQMMYAHZFX-UHFFFAOYSA-N 488.676 4.972 10 10 JJCE O=C(O)c1cccc(N=Nc2c(O)[nH]c3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc23)c1 1903864855 ZSXZSNNAEVDPNL-UHFFFAOYSA-N 468.466 4.605 10 10 JJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nc4ccc(Cl)cc4s3)C2=O)cc1 2314563181 RSLBFIZZXUPHLE-UHFFFAOYSA-N 476.004 4.798 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 2314740012 DGKBKWQJYAXLCA-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)SC2=S)cc1 2635680 IUMVPUUUTWOMCS-BOPFTXTBSA-N 496.551 4.640 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1C 20236511 LVTWDJSXPFMREM-BMAZNJHVSA-N 461.518 4.692 10 10 JJCE COc1ccc(N2CCN(c3nc(Cl)nc(Nc4cccc(C(F)(F)F)c4)n3)CC2)cc1 20249085 RVKZQKCVCQOXNT-UHFFFAOYSA-N 464.879 4.623 10 10 JJCE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33469413 URIKWGCYNIDPKR-XSFVSMFZSA-N 470.664 4.573 10 10 JJCE Cc1cc(C(=O)COC(=O)/C=C\c2ccc(Br)o2)c(C)n1-c1ccc2c(c1)OCCO2 35198486 FVUKAYAVCXXZFZ-YVMONPNESA-N 486.318 4.660 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccc(C)cc1 40867442 NNGKRCWSKDEVOL-XKZIYDEJSA-N 491.594 4.524 10 10 JJCE COc1cccc([C@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1O 64567427 FUSOVMVFKTZNEJ-XMMPIXPASA-N 497.345 4.981 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 64872891 CDYXYNRLNRRRHI-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 97360021 RAUPKQDFCLDUHY-VURMDHGXSA-N 489.664 4.506 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526572548 RHNIDXZHXTYCCJ-RUZDIDTESA-N 490.512 4.521 10 10 JJCE COc1ccc(N2CCN(Cn3nc([C@H](C)N4CCCCC4)n(-c4ccccc4)c3=S)CC2)cc1 732416574 HSZYLPLNVVPQDQ-QFIPXVFZSA-N 492.693 4.738 10 10 JJCE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866815640 GYMVBMWUVGCGGM-IYOXOMEYSA-N 472.928 4.662 10 10 JJCE COc1ccc(COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1F 1870807426 QJQTUSZOGVZCEV-UHFFFAOYSA-N 489.547 4.923 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCCN2CCCC2)cc1OCCCO 1871265583 NXIFENAAHVGXGX-UHFFFAOYSA-N 490.648 4.841 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4c(F)c(F)c(F)c(F)c4F)cc3)CC2)cc1 1872872983 PIONXFVQLVNPRW-UHFFFAOYSA-N 492.444 4.932 10 10 JJCE Oc1c(Br)cccc1Cn1nc(C2CC2)c(C(F)F)c1I 2079736956 ISLTXKZFKKEPSD-UHFFFAOYSA-N 469.067 4.819 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2293175780 KCKXBDHDHIJFLU-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1 2297298443 ZVZLWJSRYANFIM-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 2297358163 FZHUBMGLNQNEAB-LJQANCHMSA-N 470.525 4.887 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OC(C)C 2313549383 UYAJVVFXFZPRJD-UHFFFAOYSA-N 487.350 4.528 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2318684338 ZTGMHUSJNQQEOG-UHFFFAOYSA-N 468.369 4.877 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139817 VVUGAWLJHQRSJE-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147812 ZGGFOQXOUWJMCV-UHFFFAOYSA-N 464.905 4.906 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(O)=NC2=S)cc1 2293421 IPFJMYFPCFPUAB-BKUYFWCQSA-N 476.514 4.683 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 16919624 IQJNTFRYMVNHQJ-UDWIEESQSA-N 471.556 4.547 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33467412 DLZGMVQEHAFAEP-RGEXLXHISA-N 470.664 4.995 10 10 JJCE O=C(COC(=O)/C=C\c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 33504238 LYECTVAWXSLWIN-FLIBITNWSA-N 479.410 4.676 10 10 JJCE C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCN(C)CC1 34856870 YSYWMXHWPBILKI-CJLVFECKSA-N 498.077 4.966 10 10 JJCE O=S(=O)(O)c1cc(/N=N/c2ccc3ccccc3c2O)cc2c(S(=O)(=O)O)cccc12 38810808 VTXBSVDUPAIOFZ-QURGRASLSA-N 458.473 4.607 10 10 JJCE O=C(O)/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccccc2)o1 95950872 MKDWLZRXXLQYFP-RGEXLXHISA-N 452.492 4.853 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 213187001 KWMVZQYIGDEDON-RGEXLXHISA-N 499.589 4.562 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2 226901584 BOOGIWHRPRVMLW-DEGXZROYSA-N 476.598 4.829 10 10 JJCE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4cccs4)[C@H]3c3ccc(N(C)C)cc3)cc2)CC1 526602971 FFQVTGNCKGLYRG-AREMUKBSSA-N 488.657 4.619 10 10 JJCE CC(C)CCNC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586704078 MBAFSOKUYZDRGO-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Br 1084036604 RPMIVDILZXXWQZ-BOPFTXTBSA-N 496.273 4.592 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356471 FTRBYUVXZLCNQM-OVHOFWQVSA-N 453.764 4.585 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc([N+](=O)[O-])c1O 1860086606 VBQLSVKNZKKCNR-RIYZIHGNSA-N 456.423 4.734 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2C)ccc1OCC(=O)N(CC)CC 1865674916 FQKFHROZWHLLTG-BUVRLJJBSA-N 477.605 4.751 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)cc(OC)c3c2=O)sc(C)c1-c1ccc(C)cc1 1866473662 VPCVITRVUFDNHX-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1Cl 1871333484 YIIZKUPDDMSAMK-UHFFFAOYSA-N 457.873 4.562 10 10 JJCE CCN(CC)CCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162247 MHQZLTMZFQEHMG-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873167105 SBNAADHUWMIDEH-JOCHJYFZSA-N 451.611 4.769 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873169480 BWYHYWBWBXKTEK-UHFFFAOYSA-N 486.616 4.566 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873170111 OHLHTNTVQQOHOV-QFIPXVFZSA-N 471.601 4.951 10 10 JJCE C[C@@H](C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951529293 RHQPEXMLDQDKRV-WMZOPIPTSA-N 461.514 4.658 10 10 JJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 2313683670 PTZYTFYNWIMMCI-UHFFFAOYSA-N 458.474 4.749 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1cc(-c2ccccc2)no1 2314913612 CIJFKVQRTWTVRF-UHFFFAOYSA-N 469.613 4.701 10 10 JJCE Nc1ccc(OCCSc2cc(I)ccc2Br)cc1 2338312168 BZFVMNXEQRQZMD-UHFFFAOYSA-N 450.139 4.807 10 10 JJCE CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 5946225 OSAOJBZENBSFRN-UQQQWYQISA-N 499.567 4.713 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCCC)C1=O 33470526 SBDIGKITWGBDJH-OBGWFSINSA-N 458.653 4.996 10 10 JJCE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(N(C)C)cc1 72413147 WYNQKIUZHDIVFU-DEOSSOPVSA-N 491.975 4.984 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413652 AISFSKQKGGBVQA-PKTZIBPZSA-N 472.570 4.530 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226832819 DEXMDWCHDHHQBO-SWYRRKHMSA-N 491.569 4.948 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526505991 JULZUWPUNFYKPE-AREMUKBSSA-N 473.573 4.893 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705546317 HZGHCBXBIYHMJQ-HXUWFJFHSA-N 490.652 4.925 10 10 JJCE Cc1ccc(Cl)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866430078 OITONXYZYHQDJC-QFIPXVFZSA-N 467.013 4.513 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1 2323719366 MSLDWMDSCWDMBG-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14458874 HUAJTCFMISEHKP-BCQCSXDESA-N 476.598 4.748 10 10 JJCE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(Br)c2)cc1 15774385 ZSKAUDALRSQDJS-PXLXIMEGSA-N 464.363 4.925 10 10 JJCE COCCN(C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1 34760606 KCNMFQIFMLOVDK-LEAFIULHSA-N 493.692 4.642 10 10 JJCE COC(=O)C1=C(C(=O)OC)N(c2ccccc2)/C(=C2\C(=S)C(C)(C)Nc3ccccc32)S1 100838140 NOPCCWNEAVTRRJ-HEHNFIMWSA-N 466.584 4.740 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 102444644 GMHAEMJNAKAGIL-QUESDIRFSA-N 462.509 4.762 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 103998242 OOKHTYFGXUQQFD-CJLVFECKSA-N 476.558 4.523 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 213164899 YHWCPIKYSGXZNG-AQTBWJFISA-N 451.573 4.715 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226801015 QBSQICAKDRXVHQ-DPLHUUCSSA-N 453.564 4.986 10 10 JJCE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2O)c1C 917311123 FOXMNCVAXKRDGL-UHFFFAOYSA-N 452.576 4.699 10 10 JJCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cc(OC)c(OC)c(OC)c4)C3=O)c2c1 1860087622 KJMHNOSREKFNCN-FBCYGCLPSA-N 456.545 4.608 10 10 JJCE CCc1sc(NC(=O)[C@@H](N)CCSC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865920417 DDFNNXUHZASSBS-ZDUSSCGKSA-N 471.442 4.546 10 10 JJCE CC[C@@](C)(NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670989 RZOCZXDESQWBKL-WYQLEPPDSA-N 489.660 4.739 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)n(Cc2ccccc2F)n1 1871333179 JRKRRPFCPLXMJV-UHFFFAOYSA-N 465.484 4.976 10 10 JJCE COc1cccc(O)c1[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1997941504 SEWRRGMYJKLFSO-RUZDIDTESA-N 459.498 4.940 10 10 JJCE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCCC2)cc1 2106826267 ROKMOODUGDJTSU-LOSJGSFVSA-N 453.627 4.736 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCCN2C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106862340 SYIQQSPUJGVOPG-NOZRDPDXSA-N 453.627 4.830 10 10 JJCE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CNC(=O)OC(C)(C)C 2163172048 MJDHYPAHRUEZDO-MSOLQXFVSA-N 474.646 4.549 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2193313285 IEGWCQPZOLOGNJ-UKMLZYKCSA-N 463.775 4.776 10 10 JJCE CN(C)c1ccc([C@H](NN)c2sc(Br)c(Br)c2Br)cc1 2238979011 ZPXVVVJXGIBPKY-NSHDSACASA-N 484.055 4.654 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 2314647541 BBMDMIGVFBXFLO-IBGZPJMESA-N 453.633 4.914 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2695407 UCGLMXKTLMGAMO-XEXOPBTESA-N 486.018 4.695 10 10 JJCE Cc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 15044814 PWKKWGSQJDBODW-MNDPQUGUSA-N 462.637 4.518 10 10 JJCE O=C(O)COc1ccccc1/C=C1/SC(Nc2ccc(Cl)c(C(F)(F)F)c2)=NC1=O 16910037 DAVOCSAANNXPGJ-VIZOYTHASA-N 456.829 4.905 10 10 JJCE Cc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 22422640 WYUSDINRQVMVBR-HNNXBMFYSA-N 475.408 4.751 10 10 JJCE Cn1cc(/C=C2\SC(Nc3ccc(I)cc3)=NC2=O)c2ccccc21 27230699 OWHAMGJMDWFQGV-YVLHZVERSA-N 459.312 4.865 10 10 JJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(=O)O)C3=O)oc12 33515827 MUBWXVDBZFXUHW-ODLFYWEKSA-N 491.550 4.580 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 39836007 BDYBDXGRAUSAHX-XMHGGMMESA-N 499.589 4.562 10 10 JJCE COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(OC)c3O)CC2)c1 40416051 UTZWWYKTEZPIQH-UHFFFAOYSA-N 452.576 4.782 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 96462439 YWCNQMUUTZJOEM-GZTJUZNOSA-N 466.837 4.554 10 10 JJCE CCOc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc1C(=O)O 96640339 NALHBSGVCZTNMN-JCMHNJIXSA-N 486.480 4.869 10 10 JJCE O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCCC1 253569139 MAFIFNZXNFKZMS-BHDDXSALSA-N 477.944 4.553 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526145809 WPXQOGJCZSLZEF-RUZDIDTESA-N 460.530 4.836 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526395066 CIWPBGAPXNYZBW-SANMLTNESA-N 487.556 4.785 10 10 JJCE CCOC(=O)c1c(NC(=O)CNc2nnc(C(F)(F)F)s2)sc(C)c1-c1ccc(F)cc1 821217256 GLZCPOCNANDVAH-UHFFFAOYSA-N 488.488 4.960 10 10 JJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C(=O)NC1=S 1083861162 DAHMXURDWNAJHC-PDGQHHTCSA-N 482.403 4.656 10 10 JJCE CC(C)n1cccc1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344960 KLIKYMDNLSAMAV-UHFFFAOYSA-N 479.584 4.663 10 10 JJCE O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860553838 XEBHPAYDBQYAMP-UHFFFAOYSA-N 495.922 4.944 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccc(F)c(F)c1 1860564007 VROQTZCHIKELOV-UHFFFAOYSA-N 483.430 4.640 10 10 JJCE CCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422733 MIWUJEMOQUCZBE-UHFFFAOYSA-N 471.557 4.871 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2079034771 RVJTZYSWUAMJBS-QGZVFWFLSA-N 456.368 4.927 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1ccccc1Cl 2297317626 CWEQDSOUANMRPJ-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 2297464078 HKVRSQUFKZSDRW-UHFFFAOYSA-N 488.679 4.703 10 10 JJCE CN1CCN(c2ccc(N=NN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 2330217216 FSLABHYLJCAOLH-UHFFFAOYSA-N 454.622 4.844 10 10 JJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2332139806 VFEOJNXPFIGWFC-UHFFFAOYSA-N 493.604 4.927 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(O)cc2O)N3)cc1 13639528 BCLDXINCVCUALZ-UMEGOILYSA-N 464.543 4.734 10 10 JJCE CN(C)CCCCCNc1ccc(NCCCCCN(C)C)c2c1C(=O)c1ccccc1C2=O 31438830 XUGBABFKYMUSTL-UHFFFAOYSA-N 464.654 4.750 10 10 JJCE CN(C)c1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 34683679 GHEXFQSLLZIEBF-UHFFFAOYSA-N 467.610 4.752 10 10 JJCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990382 FFXYLTHCFCTYBW-ZHZULCJRSA-N 472.680 4.676 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526262456 XLLGKNUNHWXNBV-RUZDIDTESA-N 475.497 4.765 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526354393 YETYZVBPHTXUFY-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526630015 NAPJGXOGUGVRFY-XMMPIXPASA-N 493.512 4.580 10 10 JJCE O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1081112854 XQHKQRWFZFYAFN-RZNTYIFUSA-N 484.298 4.851 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCC(C)C)[C@@H](C)C1 1749846063 FGHHGGWYIFQUHD-NRFANRHFSA-N 494.709 4.799 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1-c1ccc(C)c(C)c1 1860749001 SFPPWHQSFRDXPY-UHFFFAOYSA-N 481.530 4.921 10 10 JJCE CCCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165616 RWZKXCWVLMUJDV-UHFFFAOYSA-N 487.600 4.651 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(O)c(O)c2)CC1 1951862072 ZRDRRMYQINVAAR-SANMLTNESA-N 459.498 4.511 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@]1(C)CNC(=O)OC(C)(C)C 2163172112 NBAIXPXSXZOROZ-QUGAMOGWSA-N 474.646 4.549 10 10 JJCE CN[C@@H](c1ccc2c(c1)CCCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284087552 ARKFACPSFFYTIT-VWLOTQADSA-N 465.638 4.783 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 2294773648 CESCABJPLUHKLR-UHFFFAOYSA-N 494.331 4.797 10 10 JJCE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15040486 AVKSSWVUCKFXMD-QINSGFPZSA-N 489.446 4.736 10 10 JJCE CC(=O)N1C(=O)/C(=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21 35041624 NXCQKZVPJVYCPE-QZQOTICOSA-N 488.631 4.747 10 10 JJCE CC[C@@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892727 PIRMMIVYNMPGMY-QGZVFWFLSA-N 497.503 4.606 10 10 JJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2cc(OC)c(OC)c(OC)c2)cc1 205965162 WBDKYMMMJUDWKP-JJIBRWJFSA-N 473.529 4.858 10 10 JJCE CCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)s1 211916993 MESPPNUZMQORKR-SFQUDFHCSA-N 482.612 4.524 10 10 JJCE COc1cc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1N1CCCC1=O 913099034 FNNCXEFZUZKNCE-JOCHJYFZSA-N 483.528 4.981 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)cccc21 1861858058 AVRNBTMUARJDEC-GOSISDBHSA-N 458.945 4.966 10 10 JJCE Cc1nc2ccc(N3C[C@@H](C(=O)Nc4ccc(Oc5ccc(N)cc5)cc4)CC3=O)cc2s1 1866258675 FVHWPDWOJGTCQA-INIZCTEOSA-N 458.543 4.971 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4ccccc4C)n3)CC2)cc1 1867961352 MVMUGOJUZXHBQP-DEOSSOPVSA-N 487.648 4.529 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868696453 JLBYNGRSZWKVPE-AMGIVPHBSA-N 479.665 4.802 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 2294124694 ZZSCMTTZUSBGHO-UHFFFAOYSA-N 491.887 4.802 10 10 JJCE COc1ccc(C)cc1-n1cccc1C=C1C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O 2297346870 RVPFWCLVCTYFCZ-UHFFFAOYSA-N 485.569 4.801 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1Cl 2297352852 FUKYSQSRDJOVAN-UHFFFAOYSA-N 495.992 4.600 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)NC2=S)cc1 2297576557 MHTHCWNIHMETCK-UHFFFAOYSA-N 468.918 4.959 10 10 JJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1)C(=O)O 2314930422 CWXWPTCVBCZYAF-LLVKDONJSA-N 464.362 4.707 10 10 JJCE CC(C)CNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641618 TWLXFJSTABLIPO-UHFFFAOYSA-N 453.546 4.829 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(F)cc5)c(C)c34)CC2)cc1 10013124 YCSHXSGBEZSXDP-UHFFFAOYSA-N 477.565 4.726 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473025 QZCJTAFRBCZBHC-VBWKBDAESA-N 453.926 4.984 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 33291225 XDEYBNBVZALCRN-YBEGLDIGSA-N 478.389 4.816 10 10 JJCE O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1cccc(F)c1 33761353 DZDYUXSRIJHSHB-AUWJEWJLSA-N 457.289 4.542 10 10 JJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)Nc5ccc(OC)c(OC)c5)cc34)CC2)cc1 35512232 LDRNTJACLULVSP-UHFFFAOYSA-N 498.583 4.840 10 10 JJCE CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 36550970 KDDXNQZVEVSBOD-ZYLNGJIFSA-N 454.592 4.878 10 10 JJCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c(C)c(C#N)c1=O 110521063 ZONQAYNHTLTUSX-NDENLUEZSA-N 499.061 4.703 10 10 JJCE O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)cc1 725442210 JAVBRRFMDWBECP-YDIMBITNSA-N 491.525 4.920 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858591495 PYQFBNPVEYYUKR-HNRFISLBSA-N 452.326 4.615 10 10 JJCE C[C@@H]1CCCC[C@H]1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347433 PCDXAQBSOULRJA-RRBBIIPZSA-N 470.617 4.873 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)c2C)cc1 1874193304 IKTWQRJOKBHWBE-UHFFFAOYSA-N 495.992 4.899 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079139219 RZTNIFJUKRDHMP-INIZCTEOSA-N 454.308 4.713 10 10 JJCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 2294106414 MXGJBQOFUTVPEZ-UHFFFAOYSA-N 469.708 4.721 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(F)cc1 2294229354 MRSJVVQMTPZIFP-UHFFFAOYSA-N 498.377 4.827 10 10 JJCE Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 2297468885 BEVPCXZOTKUBAO-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE O=C1N=C(N2CCOCC2)SC1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 2297506135 QTXWRLUAQRJRRW-UHFFFAOYSA-N 493.810 4.984 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)OCC)C2=O)cc1OC 2314740321 HGZFJLFAUADXDU-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2314828962 XHMCIYMYOKNXQT-UHFFFAOYSA-N 455.561 4.732 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c1 2314836494 GCSKDVXQBJJZAB-LBPRGKRZSA-N 477.405 4.692 10 10 JJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314837872 XSXZDRDCHFSWFL-LBPRGKRZSA-N 462.980 4.673 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1OC 2323679828 DRIDGGFPUJLCAR-KRWDZBQOSA-N 487.599 4.910 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323865570 UKBWGUDLRHCWAM-CQSZACIVSA-N 484.780 4.835 10 10 JJCE COC(=O)c1cccc(Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 2326951792 BQDNQLITUHHOKR-UHFFFAOYSA-N 494.594 4.542 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15047175 ZLAAWWWKPZEOSZ-FAPYRAKZSA-N 479.583 4.573 10 10 JJCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C(C)C)cc4)n3)CC2)cc1 33309912 QUTGONDRSBGCKU-UHFFFAOYSA-N 477.634 4.666 10 10 JJCE CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(N(C)C)cc2)nc1C 35002230 UWOLVVHCMKEOBM-FQEVSTJZSA-N 459.527 4.576 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCCC2)SC1=S 39990351 JCGFDZICPLQUAX-HKWRFOASSA-N 472.680 4.820 10 10 JJCE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066758 ZZCVYJBJJZOHAK-NDENLUEZSA-N 466.632 4.660 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 206206125 WWSDFYWLRVJHPX-QZQOTICOSA-N 479.627 4.838 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 213188887 XWTXYHJUPQLZST-AQTBWJFISA-N 469.563 4.936 10 10 JJCE CCN(CC)c1ccc(/C=C/C(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@H]3C)CC2)cc1 245257881 GBKLQKWGEDATFZ-KMJJMWABSA-N 454.703 4.637 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@H]1c1ccc(O)c(O)c1 526214849 WTOWIPDRBAGDTJ-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1Br 526295119 UPHKRUOQNDHZNT-NRFANRHFSA-N 468.303 4.926 10 10 JJCE Brc1cc(CN[C@H](CN2CCOCC2)c2ccccc2)ccc1N1CCCCC1 1199021545 KUQNVPIWVXOWOA-HSZRJFAPSA-N 458.444 4.603 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(SCc4ccccc4)cc3)cc2)CC1 1625192673 GRUDBCOXLAVJFV-UHFFFAOYSA-N 459.615 4.577 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)OCc5ccccc5)c(C)c34)CC2)cc1 1865740266 FBFCXFCCLFSRTA-UHFFFAOYSA-N 474.586 4.692 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2N)sc(C)c1-c1ccc(C)c(C)c1 1866018882 WODNUXVXVVIVIL-UHFFFAOYSA-N 454.548 4.979 10 10 JJCE Cc1cc(Cl)cc2c(O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866511532 WGMBEZYBUQLUTB-QHCPKHFHSA-N 467.013 4.925 10 10 JJCE CC[C@](C)(NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867268852 QLKLNUGNDUUVIV-MHZLTWQESA-N 483.549 4.609 10 10 JJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419936 RMOXENZHUUCDMU-RUZDIDTESA-N 483.568 4.668 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079980772 JDKHCHQXWUJSJH-IBGZPJMESA-N 480.346 4.864 10 10 JJCE CCN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C 2106861524 ZTYRYMRENDIZNF-ZEQRLZLVSA-N 453.627 4.830 10 10 JJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163126680 KWSDLWJSDBIYHL-LEAFIULHSA-N 466.670 4.963 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 2296660314 XBSUEWLGVNVXCO-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2297453017 GRZFYHOUXKAXSB-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1ccccc1[N+](=O)[O-] 2297732922 DDJMNYPZUQSUAK-KRWDZBQOSA-N 451.424 4.502 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 2313683026 PUIZMDQZRQYWHV-UHFFFAOYSA-N 488.500 4.758 10 10 JJCE COc1cc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc(OC)c1OC 2323874544 WLQCJBVNSJOYMC-UHFFFAOYSA-N 484.643 4.578 10 10 JJCE Cc1ccc(CNc2cc(F)c(I)c(F)c2)c(O)c1Br 2380802675 YYUJPRLRECCOPP-UHFFFAOYSA-N 454.052 4.958 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)NCc1ccccc1 15045274 ROEPXRXKPKJEDS-HKWRFOASSA-N 469.588 4.673 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1O 35394257 JNSKDPYANQXLDU-MFOYZWKCSA-N 450.379 4.955 10 10 JJCE COC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40928005 HBFYCVVNIYAZFB-DQRAZIAOSA-N 480.611 4.538 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730536397 UAPMIUZUPFXYPL-XMMPIXPASA-N 454.929 4.752 10 10 JJCE COCCN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614472782 IXIDQRIDUYJOEL-ZEQKJWHPSA-N 476.617 4.879 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)sc(C)c1-c1ccccc1 1860628587 OGTMGJJHDFSHPF-UHFFFAOYSA-N 477.586 4.786 10 10 JJCE CCCC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862210096 ZJEQAZVSBGQRMW-NVQXNPDNSA-N 495.664 4.610 10 10 JJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864013426 BFNMIHZJSPTXPD-QHCPKHFHSA-N 494.636 4.604 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F 1865678493 OTUHETJBTODJMM-NVNXTCNLSA-N 454.832 4.710 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc2)cc1 1866109139 FFRQLCMINMZZCZ-UHFFFAOYSA-N 453.454 4.703 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867946718 OCBSDFIBTPOWGL-UHFFFAOYSA-N 457.622 4.639 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425521 CRJLNCXCCOVTCW-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC2)cc1 1892118483 IPLGMIDQXNYCCK-UHFFFAOYSA-N 476.520 4.892 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1OC 2042445869 CQKBDZIXIZSQIG-UHFFFAOYSA-N 494.388 4.960 10 10 JJCE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080053143 RMOAQVUYPHTSST-KRWDZBQOSA-N 468.335 4.701 10 10 JJCE CCN1CCc2cc([C@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163130100 DWFKUWKFVXPVMX-LSYYVWMOSA-N 465.638 4.913 10 10 JJCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N(c3ccccc3)C2=O)cc1Br 2294002200 YRIZNLBDGPKBDL-UHFFFAOYSA-N 482.739 4.895 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1 2296754816 CFLSVTXNWURTCW-UHFFFAOYSA-N 473.558 4.758 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(CN3CCN(c4ccccc4C)CC3)C2=O)cc1 2296833212 MGRVBORJURNQKQ-UHFFFAOYSA-N 467.660 4.765 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S 2314769357 PDFAFNXXPFGBNX-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE CSc1ncc(CNCc2ccc(I)c(Br)c2)s1 2325230677 UMNNGFBVCTXVTG-UHFFFAOYSA-N 455.184 4.522 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 13914463 QWNLFPWJVCLBOT-OEAKJJBVSA-N 499.523 4.525 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 39835988 XWTXYHJUPQLZST-QGOAFFKASA-N 469.563 4.936 10 10 JJCE O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 83323884 IAZXIOZZUXOLNE-OTSLREGNSA-N 451.569 4.686 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C1=O 102471444 GRKVYLZPFFDOQN-WBFOAEISSA-N 483.553 4.558 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 210672892 DUQFPQLSIREEBW-RQZCQDPDSA-N 482.505 4.650 10 10 JJCE CCN(CC)c1ccc(/C=C\C(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@H]3C)CC2)cc1 254870726 GBKLQKWGEDATFZ-WSTMGVHXSA-N 454.703 4.637 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526185663 MOTSVPUBVMTOGU-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526466157 UVUCLOQEFVSCMM-QHCPKHFHSA-N 463.461 4.861 10 10 JJCE CCOc1ccc(S(=O)(=O)N(CC(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586254872 WLQASNAGPZCBOT-UHFFFAOYSA-N 463.555 4.712 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)ccc1OCCC(C)C 1084332193 FLPIIFHVMPRDFX-QNGOZBTKSA-N 458.514 4.940 10 10 JJCE CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2/C(=O)N(C)C(CO)=C2O)[C@@H]1/C=C/C=C/C[C@H](C)O 1615671392 AWQOATNHYGPPIM-AOGQJMIJSA-N 457.611 4.551 10 10 JJCE CCCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1 1860085402 IUEBFVHWDYOFIT-OQKWZONESA-N 453.633 4.633 10 10 JJCE CCCCc1ccc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866434330 WOYBICBOXJDAAM-UHFFFAOYSA-N 450.494 4.898 10 10 JJCE COc1ccccc1-c1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1868167193 UHZJNIYWUSQPKJ-UHFFFAOYSA-N 452.466 4.615 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868691318 JLQNAKPEAQMKCU-XCZPVHLTSA-N 479.665 4.623 10 10 JJCE CCCC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868997440 FDQUQKHPEVJZCG-NBGIEHNGSA-N 486.056 4.866 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418331 DJKAXJLLCCLAEQ-UHFFFAOYSA-N 488.551 4.758 10 10 JJCE O=C(N[C@]1(c2cc(F)cc(F)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952912746 FGXDEYHYSLHALJ-NLFFAJNJSA-N 451.425 4.509 10 10 JJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1O 2009754493 LSKBBBRFZPXAAJ-AREMUKBSSA-N 458.558 4.914 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080005019 BFCYCLNFXQBBDE-KRWDZBQOSA-N 480.346 4.648 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080029758 CVIRHFWMYXDGKP-AWEZNQCLSA-N 494.251 4.917 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080048215 PBJCXEFWCOZQMS-OAHLLOKOSA-N 476.261 4.534 10 10 JJCE CC(C)(C)OC(=O)NCC1(F)CC(CNCc2cc(Cl)cc(Br)c2O)C1 2111960188 XSDVMLUBORJEOI-UHFFFAOYSA-N 451.764 4.541 10 10 JJCE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1c1ccccc1F 2293771910 QPUSVNLMWIOXND-UHFFFAOYSA-N 457.289 4.542 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1 2293976834 RYKMEYNZAPTMQY-UHFFFAOYSA-N 489.553 4.776 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 2297467862 KIFVIROJVKRZSE-UHFFFAOYSA-N 490.976 4.819 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)c1 2314509232 TXUJDYGXHYRCME-UHFFFAOYSA-N 465.600 4.961 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cc(C)c(C)cc3C)c(OC)c2)SC1=S 2314768579 LCDOQUQVFUWKQW-UHFFFAOYSA-N 485.627 4.964 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(F)cc5F)c(C)c34)CC2)cc1 10013129 MACVNRYFFYJJRR-UHFFFAOYSA-N 495.555 4.865 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 15039717 HWMCFBJQNDXTNM-MFOYZWKCSA-N 482.505 4.737 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 33887289 KUFDMJSLGKSLSA-GBEVANGZSA-N 478.574 4.881 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(Br)c1OC 59861149 BCLGYIAXSDVWJN-MLPAPPSSSA-N 465.687 4.626 10 10 JJCE COc1ccc2cc(C(=O)Oc3ccccc3/C=C3/SC(=O)NC3=S)sc(=O)c2c1OC 102605510 RRDZSGXIJHWSGI-OQLLNIDSSA-N 485.564 4.623 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1cccs1 1705480535 WHLQOQRNIXSWMX-QYBDOPJKSA-N 459.619 4.780 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(C)cc1 1860655063 IIZCBQAWEVCZJM-HNNXBMFYSA-N 468.497 4.558 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2OC)sc(C)c1-c1ccc(F)cc1 1860746826 GPVVXMUYVOIIMC-UHFFFAOYSA-N 456.495 4.625 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865867638 ANGSHYDBZMXVCO-HUUCEWRRSA-N 478.364 4.878 10 10 JJCE Cc1cc(OCCCC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(C)c1Cl 1865936200 YFHBQJYUPXSQLY-XMMPIXPASA-N 455.002 4.821 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CC(C)C)CC2)cc1 1870766593 RZAOQWLUVJVVHC-UHFFFAOYSA-N 475.633 4.723 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873166975 NCRJHQQMCCZHCF-UHFFFAOYSA-N 481.600 4.681 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170427 ZLKATTSFHQMHAU-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Cc2ccc(O)c(O)c2)C1 1952466070 UPXWQZVKHAMTBF-MOPGFXCFSA-N 473.525 4.755 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1F 2053494376 SEYKVBKYECIZQZ-CALCHBBNSA-N 492.576 4.767 10 10 JJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3c(C)cccn3c2=O)SC1=S 2314414898 QBVAIZRQIYKIIG-INIZCTEOSA-N 458.653 4.852 10 10 JJCE O=C(C=Cc1ccc(F)cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 2320955833 ZAOIZDRTBAJGEV-UHFFFAOYSA-N 491.478 4.900 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 2326951856 UNNAHQKQVFJJOT-UHFFFAOYSA-N 481.555 4.664 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1O 14457130 GXOOPHZSJPSURN-RNHFSVANSA-N 454.592 4.648 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)NCc1ccccc1 15037133 PQOVNGJZFOLLTG-JCMHNJIXSA-N 460.580 4.997 10 10 JJCE COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 20288544 PIUIIXIITXKSHY-XIEYBQDHSA-N 457.530 4.527 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc([C@@H]4CCCN(C(=O)c5ccc(C)cc5)C4)c3)CC2)cc1 33034965 QYNXRUOXHNVLNG-HHHXNRCGSA-N 497.639 4.986 10 10 JJCE N=C1/C(=C\c2cccn2Cc2ccccc2Cl)C(=O)N=C2SC(c3ccccc3F)=NN12 102585435 XRDFDTKRBCNVJW-QOOLADICSA-N 463.925 4.996 10 10 JJCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N12 104372359 UGEPYUSIUPNZLH-LMFUVNESSA-N 462.965 4.560 10 10 JJCE COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 253947758 VCXCXPZXYKZPAB-UHFFFAOYSA-N 460.490 4.750 10 10 JJCE CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 1618147219 DLSUHEDDSDLZPJ-UHFFFAOYSA-N 456.546 4.587 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864009777 DISNMOSBIGWLTC-VWLOTQADSA-N 498.583 4.746 10 10 JJCE CC[C@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867125268 QEERRVLJLKOEKA-QFIPXVFZSA-N 488.971 4.972 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419997 TZLYKLNUMCWZBX-DEOSSOPVSA-N 455.558 4.774 10 10 JJCE Cc1ccc(O)c(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873879551 WAONXYCGAKQLTR-UHFFFAOYSA-N 464.525 4.617 10 10 JJCE Cc1cc(I)ccc1NCN1C(=O)SC(=Cc2ccc(N(C)C)cc2)C1=O 2313502040 KKZLWVBHDJDXFT-UHFFFAOYSA-N 493.370 4.772 10 10 JJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 2313561001 OXFZPHWFOWRJQC-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2314509045 RQUNVOMHTKIHCH-UHFFFAOYSA-N 465.600 4.967 10 10 JJCE CC(=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)c1ccc(Br)cc1 2314539723 ZLCNCQXEBYTNET-UHFFFAOYSA-N 478.345 4.641 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 6431724 UWBWMOPHVDSZRH-LPYMAVHISA-N 461.543 4.783 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 15037797 YSABZXJGTKBLLP-YBEGLDIGSA-N 452.479 4.641 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21 20696381 LBNVVMJNQACTNQ-JIGPKXGUSA-N 457.368 4.748 10 10 JJCE CCOc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 33442678 KSHMYUQHXFWLEG-UDWIEESQSA-N 466.896 4.918 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 59106219 RMLQRIHEUBVYTL-NDENLUEZSA-N 491.431 4.828 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 205692554 QIAJFTORZJIJPJ-XMHGGMMESA-N 471.560 4.701 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc1 210754078 GTXWERUMEHAWAP-KNTRCKAVSA-N 476.664 4.727 10 10 JJCE C/C(=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1OC(F)F 1533992246 MKUFRDZNXLSUJJ-KNTRCKAVSA-N 455.549 4.540 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858590216 CHCRTMQFECIEFF-UIMCMNAESA-N 459.614 4.673 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865028688 YBAQGEYZYXSALM-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)c1O 1865671732 ARBLPGFFISQZPZ-MOSHPQCFSA-N 463.331 4.993 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868481605 XDKUIRMSHLIJPJ-SANMLTNESA-N 478.556 4.787 10 10 JJCE CC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714332 NWXYIRSUNVFHPV-AHWVRZQESA-N 483.628 4.516 10 10 JJCE COCCCN1C(=O)C(NC2CCCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169133 ALSAPGOVKYCIFX-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873418930 HHKGUWYDKWZXNF-UHFFFAOYSA-N 495.535 4.866 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cc(C)cc(C)c4)c3)CC2)cc1 1874726882 KWWBJELNEYABSI-UHFFFAOYSA-N 471.601 4.959 10 10 JJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053512891 CCOBDWHEZJQITP-AWEZNQCLSA-N 466.924 4.963 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC(CNC(=O)OCc4ccccc4)CC3)ccc(N)c2C1 2106817250 ZDJQSRNVQMKSQU-UHFFFAOYSA-N 494.636 4.705 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 2294143454 BQZFWNQRUAYYQH-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE Cc1cc(N2CCCC2)ccc1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 2297625053 OMCARBNRSQPWJU-UHFFFAOYSA-N 460.386 4.733 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC[C@H]1NC[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2297736871 PVAGETHTFSVSKS-OYKXOOMRSA-N 488.720 4.916 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCCCC3)nc12 2314414123 QGRWUJYEZAGQSG-GOSISDBHSA-N 490.654 4.956 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCOCC3)nc12 2314648338 WOOHLTIUYBUFSY-UHFFFAOYSA-N 461.612 4.781 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)NC5CCCCCC5)c(C)c34)CC2)cc1 10013156 MHVAPJAKUUOWDB-UHFFFAOYSA-N 479.650 4.788 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15046466 CNLMCXZFQKDEMT-FFCYNSPCSA-N 452.479 4.639 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1Cl 20356270 FUKYSQSRDJOVAN-JPXJQDSKSA-N 495.992 4.600 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC3CCCC3)nc12 33781649 LUVTXYXYRQIPKH-DEDYPNTBSA-N 494.617 4.898 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1cccnc1 40867459 HMCHYBFCDDLHSB-NDENLUEZSA-N 481.986 4.860 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 47133645 YMXBTTFQVRIUTP-AQTBWJFISA-N 464.572 4.583 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 226905211 GSEYBZMRYKZRPA-VVBPWWLESA-N 465.402 4.841 10 10 JJCE COc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1 1084653374 MWRONXKVCIEFDJ-ULJHMMPZSA-N 487.556 4.523 10 10 JJCE O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860505786 BHPKBCZPFRLLEI-UHFFFAOYSA-N 495.922 4.944 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3c(C)ccc4ccccc34)c3ccccc3)CC2)cc1 1861905814 NLUSEQMSDGHKST-GDLZYMKVSA-N 493.607 4.977 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2Oc3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866223894 LVXPTECDLLPVIW-LJQANCHMSA-N 486.343 4.855 10 10 JJCE COc1ccccc1CN1C(=O)C(NC2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165150 DVCJAXONOAWJIL-UHFFFAOYSA-N 469.585 4.915 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2053498296 KXGVPBBMQDBZHR-UHFFFAOYSA-N 478.643 4.659 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 2313560730 DXWYGZNZRMMLQK-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1C 2313564889 DPJPRBYUFIPADK-UHFFFAOYSA-N 491.931 4.729 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837915 YEBHLWKAKXHOQG-LLVKDONJSA-N 481.477 4.842 10 10 JJCE COc1cc(C=C2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)ccc1O 2314951512 BFPQWWBOUXCZDP-FQEVSTJZSA-N 471.538 4.928 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(c2cccc(Cl)c2)CC1 2330188842 XZPSFGUGIGDMLJ-UHFFFAOYSA-N 474.005 4.795 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)c1O 2332124665 BGCGHDPSMSKACN-UHFFFAOYSA-N 455.230 4.820 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 1128921 XYIXHMFTLSZXBJ-HYARGMPZSA-N 472.342 4.914 10 10 JJCE Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(C)n1-c1ccc2c(c1)OCO2 16050686 HCUJCCXHZHSQCJ-UHFFFAOYSA-N 468.509 4.899 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)nn(-c5ccccc5)c3CC4)CC2)cc1 21043239 NFERZSNYZMXVNH-UHFFFAOYSA-N 484.625 4.979 10 10 JJCE CCN1CCN(C(=O)CCc2ccc(-c3ccc(OC)cc3)n2-c2ccc(SC)cc2)CC1 23434637 FACHTSJSERMOQE-UHFFFAOYSA-N 463.647 4.972 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 33247705 SQUODJLRYQHEDO-NDENLUEZSA-N 490.443 4.618 10 10 JJCE CCN1C(=O)/C(=C\c2cc(Cl)c(OC(=O)c3cccc(OC)c3)c(OC)c2)SC1=S 34721343 SHDDEKQSOGZJOD-LICLKQGHSA-N 463.964 4.798 10 10 JJCE O=C1[C@@H]2ON(Cc3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 43254197 MKUUODCDFKYPKL-FUPPJEDESA-N 483.351 4.741 10 10 JJCE CCOC(=O)c1sc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)nc1C 105570842 XLPHGAGXLFQHOA-UPCARPLXSA-N 468.564 4.935 10 10 JJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 727402706 KMYOJWVBROIBOX-UHFFFAOYSA-N 484.394 4.793 10 10 JJCE O=C(CCNCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860710586 FXFVUIYTKCBPMI-UHFFFAOYSA-N 452.432 4.599 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c2nccn2C)cc1 1865879144 CCFGAEZKFHXXHQ-OFNKIYASSA-N 461.997 4.947 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867112987 JNXCYPUZPPZLQZ-AVRWGWEMSA-N 498.579 4.888 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCCCC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994581 ZMJBILHRDUDESR-UHFFFAOYSA-N 473.621 4.868 10 10 JJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873165013 CZOHRHSPXACUMH-UHFFFAOYSA-N 499.611 4.797 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1csc(=Nc2cccc3ncccc23)[nH]1 1874018001 ZZCFCQWGWLVAHZ-UHFFFAOYSA-N 476.517 4.885 10 10 JJCE COc1ccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1874179097 NIUXUBCZMFPGAO-UHFFFAOYSA-N 454.507 4.775 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079856500 UERXOFSDDXZXSO-CQSZACIVSA-N 463.250 4.555 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080023881 FLZXLRARYZCHTK-KRWDZBQOSA-N 483.394 4.842 10 10 JJCE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 2293034914 OWIKFVWDGAKKPX-UHFFFAOYSA-N 480.611 4.758 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc2ccccc2c1 2296881455 IOKWORLDPQXEPK-UHFFFAOYSA-N 462.552 4.799 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 2297458249 YTVDRAIGHNYCJY-UHFFFAOYSA-N 494.891 4.959 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314827409 DKDPHNHFRPCQQZ-UHFFFAOYSA-N 468.343 4.742 10 10 JJCE CC(C)(C)c1ccc(CN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944745 KXYRSHJHJAJYML-UHFFFAOYSA-N 480.611 4.577 10 10 JJCE COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O 17086546 IKBVBIUXYXUZKJ-ZSOIEALJSA-N 469.213 4.983 10 10 JJCE CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)C(=O)N=C2S1 34705074 TUDNNJGCNZWPHK-YHBINRDGSA-N 450.520 4.933 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)CC 38203789 UHANYDNCQBXIGO-KWPCUBQOSA-N 456.589 4.809 10 10 JJCE CC(C)[C@@H](C(=O)NC1CCCC1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606672127 RPKGFDGTLLXTEC-NIFLVVHWSA-N 467.454 4.734 10 10 JJCE O=C(CC1CCCC1)N1CCCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 730816724 DWXPPVJGIFGOME-VWLOTQADSA-N 487.604 4.849 10 10 JJCE CCCCCNC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917633338 AYMFQJKFXSFPLN-DEOSSOPVSA-N 475.593 4.752 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1528584602 XUMQGNZFEWYBIZ-UHFFFAOYSA-N 456.489 4.873 10 10 JJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccnc1OCC 1705605825 SCBHXUAPPSNLPQ-UHFFFAOYSA-N 454.578 4.654 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 1858591343 FFRJYNGZGHYXBF-OVCLIPMQSA-N 470.450 4.729 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(C)cc2=O)sc(C)c1-c1ccccc1 1866286955 JKZMHCNERIFWNJ-UHFFFAOYSA-N 489.553 4.625 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873164104 MHWFRATVBNBWSH-UHFFFAOYSA-N 451.526 4.757 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC[C@H](CN4Cc5ccccc5C4=O)CC3)cccc21 1874016232 CWLQENMCXINJTM-WGSAOQKQSA-N 478.548 4.863 10 10 JJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(I)c1C1(C)CC1 2079599819 BRMHAEMHNVPYKI-UHFFFAOYSA-N 450.242 4.874 10 10 JJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccc(-c2ccc(F)cc2)o1 2296944632 BGZCNRZVJPNHCY-UHFFFAOYSA-N 478.505 4.786 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1 9259617 IRVRMOUMRAIYRK-JCMHNJIXSA-N 462.546 4.767 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1O 20690266 CGNFSQWHJBSTDQ-FHAGJXEFSA-N 454.592 4.792 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nc(-c2cccs2)ns1 20894490 XAQUUOSIGOXIPQ-XFXZXTDPSA-N 464.644 4.558 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccc(Cl)cc1Cl 33394507 OIZHSYVUNVXNKD-IDUWFGFVSA-N 484.382 4.867 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33699556 NRIDKMDGMVEXCB-XSFVSMFZSA-N 478.643 4.925 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)cc1 33926493 HXJDVGQCYISXLB-JCMHNJIXSA-N 473.554 4.942 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 34690942 UWYIVUWITZGPOP-NBVRZTHBSA-N 468.604 4.681 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4cc(C(F)(F)F)ccc4Cl)c3N)CC2)cc1 40682442 VHKDOOAXSMEKIK-UHFFFAOYSA-N 478.906 4.810 10 10 JJCE COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 102779753 HQELASUKFYEFGP-AWNIVKPZSA-N 479.714 4.624 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)Nc1nccs1 210688197 WRFCPYLHULDRRV-SFQUDFHCSA-N 453.570 4.775 10 10 JJCE CC(C)[C@@H]1C[C@H]([C@H](C[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O 255963755 AZMFFFCHYNXWLN-UQVNRYHBSA-N 456.543 4.505 10 10 JJCE CCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422970 YSZLAJDFNKMBJK-UHFFFAOYSA-N 464.909 4.868 10 10 JJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427457 OCSHHQQOIKFTKH-UHFFFAOYSA-N 496.611 4.583 10 10 JJCE CO[C@H](c1ccc2ccn(C)c2c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952325559 HHMMBKSKTFLUHE-IZZNHLLZSA-N 470.525 4.858 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(CN)c2I)cc1C 2079980743 IVALFFNDLMWRKW-LJQANCHMSA-N 451.352 4.536 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1c(C)cccc1C 2293115958 YNVUBICIQKEDRQ-UHFFFAOYSA-N 472.541 4.621 10 10 JJCE Cc1cccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)c1 2296441436 KODGMYLLGUZELS-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2296849741 LASCAQOQZKGPDP-UHFFFAOYSA-N 478.382 4.933 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C2SC=CN12 2297314595 WDVRJTJLJGTXNJ-UHFFFAOYSA-N 458.312 4.944 10 10 JJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2297334869 ZXWRIUKFJPVVNM-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2c(O)cccc2Br)[C@@H]1C(F)(F)F 2370315604 UGOSFSOYFUDUMY-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15037860 WAROALWHXZTGOH-ATVHPVEESA-N 477.405 4.688 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 20750029 GSEYBZMRYKZRPA-MCFFVMPBSA-N 465.402 4.841 10 10 JJCE Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4cccc5nsnc45)ccc3s2)cc1 33116485 PYFJENMBEMHRQY-UHFFFAOYSA-N 481.584 4.663 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 33375524 PRHLZYLFZOHYKC-KNTRCKAVSA-N 488.679 4.623 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 33424288 GWOIQBMECJWPOB-JPXJQDSKSA-N 480.521 4.863 10 10 JJCE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)SC1=S 95540882 APPBDKMRVFBWKL-ODLFYWEKSA-N 495.981 4.831 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1Cl 96460644 HXCTVQSLJWUURS-MRDWGVERSA-N 490.994 4.556 10 10 JJCE CC(C)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101993369 CJBWOCOFPGOMDQ-TZRRMPRUSA-N 483.495 4.644 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(C)C 206927633 XFDXNGYBLFZBTK-DEDYPNTBSA-N 456.589 4.727 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526289796 NXPSASGJZKSCBR-VWLOTQADSA-N 477.513 4.961 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526418181 YQFPCXGUNJHQBU-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE CC(=O)N(c1ccc(F)cc1)c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1 1559634924 FDHIFKZKCICBQV-JOCHJYFZSA-N 455.555 4.854 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cccnc4)n4c3ccc3ccccc34)CC2)cc1 1858206026 HMCMECHJJQGHCR-UHFFFAOYSA-N 463.541 4.521 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccc(Cl)c1 1860345032 ORUNGFUSINFXRJ-UHFFFAOYSA-N 482.971 4.934 10 10 JJCE Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1C 1860588890 SFDHJISMOMXRQM-UHFFFAOYSA-N 466.537 4.570 10 10 JJCE CCCOc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OCC 1860713379 XRBDQLITEAHUBP-UHFFFAOYSA-N 486.568 4.768 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)sc(C)c1-c1ccc(F)cc1 1860747153 WZRANQQBJVLCTP-UHFFFAOYSA-N 468.506 4.819 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc4ccccc34)CC2)cc1 1862237114 HAXOKRDBWDAONB-LJAQVGFWSA-N 493.607 4.538 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864021260 OEZZUBKUSAFFGJ-FYSMJZIKSA-N 498.583 4.608 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 1867774883 JDXDAFFBVCSEPI-WUFINQPMSA-N 484.644 4.567 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CC(C)C)CC2)cc1 1870481546 MELMXCLSYZHYLW-UHFFFAOYSA-N 467.654 4.794 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425472 AHYRATGDEJGZHK-UHFFFAOYSA-N 456.590 4.628 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccccc4Cl)c3)CC2)cc1 1874731373 IPGBMGNYZVFFMQ-UHFFFAOYSA-N 493.003 4.892 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CCc4ccccc4C)cc3)CC2)cc1 1874747091 STROCRGBODAHKX-UHFFFAOYSA-N 486.612 4.937 10 10 JJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(Br)cc1O 1951739158 LNVYSNYZZZEAKK-DEOSSOPVSA-N 482.330 4.993 10 10 JJCE O=C(C=Cc1ccc(Br)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2296050433 UEOHOUABAILIEY-UHFFFAOYSA-N 491.366 4.751 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297364084 QSTGSUKXETWGAR-UHFFFAOYSA-N 496.548 4.890 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C 2297415333 HYKFOFWCPWIGEQ-AREMUKBSSA-N 491.569 4.779 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2313543487 BWMPDQVBIIKLQI-UHFFFAOYSA-N 470.710 4.560 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 2314931720 HXVULCDOTCFODI-UHFFFAOYSA-N 470.355 4.871 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935042 MMJVPZGSIIECSK-QGZVFWFLSA-N 473.572 4.742 10 10 JJCE Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(O)c1Cc1ccc(F)cc1Cl 9597719 NPXOOAWTYFPJAQ-UHFFFAOYSA-N 459.308 4.710 10 10 JJCE C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3OC)c(OC)c2)SC1=S 33430433 GAGYUISVMWMDFD-JWGURIENSA-N 471.600 4.939 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33781128 MHFDLLGSWGGFSW-QGOAFFKASA-N 456.637 4.749 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 33880951 HKVSWGORHPHEIW-ZGPWBKFBSA-N 488.594 4.862 10 10 JJCE COc1ccc(N2CCN(c3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)CC2)cc1 40709435 JDVQTDCXNZAUTB-UHFFFAOYSA-N 480.616 4.601 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 40938434 KFDSFKHNQKPKEC-PGMHBOJBSA-N 471.600 4.773 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152231 FVNWOJZBDWMKRM-RGEXLXHISA-N 471.560 4.614 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O 59396951 CPALBRCBGKWUNN-OQLLNIDSSA-N 452.351 4.578 10 10 JJCE C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 105711026 YUQUCKRDCYAFIT-OAHLLOKOSA-N 453.523 4.971 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 206923792 YIUSHBZKOMNPNJ-QZQOTICOSA-N 479.627 4.838 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)COC(c3ccccc3)c3ccccc3)cc2F)C[C@@H](C)O1 917708389 BECMWYKVTNNYPH-OYRHEFFESA-N 462.565 4.862 10 10 JJCE CCCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 1084276357 ZLRYYHHVVQZTIO-LGMDPLHJSA-N 457.324 4.603 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(F)c4)n(-c4ccccc4)n3)CC2)cc1 1862369530 ISOVIVLKZRZAKX-UHFFFAOYSA-N 486.547 4.658 10 10 JJCE COc1ccc(O)c([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952794389 PDFRDKBWGGVZJU-BWKNWUBXSA-N 459.498 4.798 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2293202239 NAIVJPFAWYCMGZ-LJQANCHMSA-N 466.496 4.882 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1 2294265181 BAOXLOBYGHEPOF-UHFFFAOYSA-N 466.566 4.782 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1Cl 2296398041 OVIRKBGRZUZKKE-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE O=C(CN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2ccccc21)Nc1ccccc1Cl 2296712183 HMHBAYZPVMUEBP-UHFFFAOYSA-N 498.029 4.839 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CN=c1[nH]c(-c2ccccc2)cs1 2297104380 PBHMFBJLPHZMMZ-UHFFFAOYSA-N 486.338 4.555 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297352740 RHGDVLAWXFRMEF-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCn3cnc4c(=O)[nH]c(N)nc43)c2c1 31518195 KBRLDXAZOPQOLJ-UHFFFAOYSA-N 491.983 4.738 10 10 JJCE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1 1083989149 YNNXEPFGMLHWKY-XQNSMLJCSA-N 486.524 4.729 10 10 JJCE CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 1084062427 ZDKNQSCAHWAPLO-HMAPJEAMSA-N 489.597 4.505 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(Cc4cccc(F)c4)n3)CC2)cc1 1862311225 XPFYLJPWQTVROV-UHFFFAOYSA-N 498.602 4.827 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871505025 PTOKWVHRQGEGTG-UHFFFAOYSA-N 499.619 4.701 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168725 HGUFPUPEDGJSMQ-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE O=C(NOCCCNCc1c(O)cccc1Cl)OCC1c2ccccc2-c2ccccc21 1928768774 XUBXSMQLTWZWDF-UHFFFAOYSA-N 452.938 4.996 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)c(O)c(O)c2)C1 1952453316 XSGRCVYUCLWTJD-QRQCRPRQSA-N 475.497 4.590 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCCc3ccccc3)nc12 2053511341 PJIAFPPFLAITQK-UHFFFAOYSA-N 478.643 4.515 10 10 JJCE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCCC2)cc1 2106868857 YVASMOBNLAPPGS-LOSJGSFVSA-N 452.643 4.702 10 10 JJCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCc1ccccc1 2294216525 VFIZSVKOCVMIJX-UHFFFAOYSA-N 472.566 4.722 10 10 JJCE COc1ccc(OC)c(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 2313682710 JBCOZLIWIPOMIV-UHFFFAOYSA-N 458.474 4.749 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1F 2314485860 FISOGQCCYHGMBF-UHFFFAOYSA-N 498.557 4.846 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3F)SC2=S)cc1 2314831559 NLCGYUJDFMEPGG-UHFFFAOYSA-N 472.563 4.623 10 10 JJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@H](CC)C(=O)O)c(OC)c2)SC1=S 2314932985 QVLUPHTZIMDOOK-QGZVFWFLSA-N 457.573 4.905 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 2323880076 PODNFNJCBVPWGM-GOSISDBHSA-N 477.995 4.761 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C3/C(=O)Nc4cc(Br)ccc43)SC2=S)cc1 1893706 NKYHUYAFQQSNGW-NXVVXOECSA-N 461.362 4.576 10 10 JJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl 2234409 HOJZPRLMOMWOHW-STZFKDTASA-N 491.975 4.873 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 2509037 NSCNGPBRNFNAOU-ISLYRVAYSA-N 473.417 4.630 10 10 JJCE Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 20939580 LJKSVVJADGFLIY-UHFFFAOYSA-N 475.618 4.839 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1 33329835 UXHSBZNKHHDXBA-WCWDXBQESA-N 499.617 4.752 10 10 JJCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 33378511 CMVOBYALBXTOFG-FHXOWUIVSA-N 492.416 4.791 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4cccc5ccccc45)c3O)C2=O)cc1 33907757 ILCNHPMMGXGNLK-STZFKDTASA-N 452.470 4.855 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)SC1=S 39835923 JWBYOQKIIHJMPL-XMHGGMMESA-N 465.600 4.969 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39989743 OSVGCJDTSMCVAC-POKCEJIYSA-N 486.707 4.922 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 210743289 NXPJFNOVKMDDAH-HMMYKYKNSA-N 456.589 4.801 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526625775 WWWLLYNAARBXOJ-HHHXNRCGSA-N 486.568 4.924 10 10 JJCE COc1cc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)c(OC)cc1Cl 1860084613 WXDZUTDISJJGGQ-QGMBQPNBSA-N 451.953 4.780 10 10 JJCE CCc1cccc(CC)c1N1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865925763 QUFHLLOOLAINLP-XNMGPUDCSA-N 490.692 4.574 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CC[C@@H](C)C2 1866258515 AZDLXGHMFBFYPZ-UKRRQHHQSA-N 497.642 4.959 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OCCC)cc2)C1=O 1873164494 DXJMWYDYFMQYIB-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE O=C(N[C@]1(c2c(O)cccc2Br)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952859080 NEWMSKAZOYVDNO-KBMIEXCESA-N 494.341 4.993 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2053496628 DODZAPKQJHIRSC-SFHVURJKSA-N 490.654 4.956 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079981218 NPHPEQCXULNPBK-GOSISDBHSA-N 468.335 4.720 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163154452 SDOSMYHYYPEYNI-AOYPEHQESA-N 466.670 4.745 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 2297561647 QSNSVXLKAYLTPV-UHFFFAOYSA-N 493.006 4.692 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 2313558791 JYNSDZVOFLXQNP-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE Cc1nnc(Cc2ccc(NC(=O)CCCN3C(=O)C(=Cc4cccs4)SC3=S)cc2)o1 2314913697 YXPDXPDSBMBERV-UHFFFAOYSA-N 484.628 4.650 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCc1ccccc1 15043634 WAFMOTYKBLJNEN-AQTBWJFISA-N 475.433 4.747 10 10 JJCE COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 33401766 WLLXPWSTDGNRJU-UDWIEESQSA-N 452.869 4.528 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 39835689 AWFUNDGIHRIGDJ-GHRIWEEISA-N 455.536 4.627 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)CC1 1508177413 PTYLLQHCWWBYLS-UHFFFAOYSA-N 494.709 4.941 10 10 JJCE C[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1 1860347534 UXWNONNUKSOVKD-VKGTZQKMSA-N 464.569 4.666 10 10 JJCE CC[C@@](C)(NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156439 AJMSPJVKJNBETD-XVXFIRIFSA-N 490.431 4.649 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868846104 ZXCXHSPTNISMHP-AREMUKBSSA-N 479.665 4.802 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165581 QAJXZRPDTHXELY-GOSISDBHSA-N 485.584 4.549 10 10 JJCE COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)Nc3cccc(N(C)C)c3)cc1)CC2 1873894292 FRTACIMPUMDWFB-UHFFFAOYSA-N 474.561 4.612 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4sccc4C)c3)CC2)cc1 1874732439 ATIQKDMQUDPJGX-UHFFFAOYSA-N 464.587 4.679 10 10 JJCE CN(C)c1ccc([C@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2106795312 GELRQGBGQXEHDM-XMMPIXPASA-N 453.627 4.736 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2293152607 ONVRCWLMBMIMHC-UHFFFAOYSA-N 473.616 4.617 10 10 JJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccc(-c2ccccc2)o1 2296938409 KMDBOPPOJIZHOW-UHFFFAOYSA-N 460.515 4.647 10 10 JJCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2313548801 GCZJEZRPQNIMQL-UHFFFAOYSA-N 453.410 4.674 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 2313558646 GHIVSHGDQSLLQE-UHFFFAOYSA-N 490.556 4.943 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1 2323886727 PYLBNPNDYOPJIQ-FQEVSTJZSA-N 454.617 4.742 10 10 JJCE O=C(c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCc2ccccc21 9661643 OMSVUJSELBPCRQ-UHFFFAOYSA-N 460.537 4.780 10 10 JJCE CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639959 KDDXNQZVEVSBOD-OHUGHZGNSA-N 454.592 4.878 10 10 JJCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1C 32523222 KCJVBOSHTIPTKY-UHFFFAOYSA-N 498.549 4.818 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 33431556 SDOWANXAPLSQJB-GJGBNZORSA-N 455.557 4.544 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 47133744 OFMJXXXWQWUJPA-UNOMPAQXSA-N 496.589 4.840 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 50574856 CLGMQLLVHAOORG-PTNGSMBKSA-N 480.958 4.792 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3cc(C)cc(C)c23)[C@@H]2CCS(=O)(=O)C2)cc1 54362157 QYBCKVXNNMRKBP-XMMPIXPASA-N 482.646 4.654 10 10 JJCE Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1[N+](=O)[O-] 59396616 ANJQBOZJRGZNAG-CHHVJCJISA-N 451.323 4.777 10 10 JJCE CCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 59860563 JQOUERUJZQZIGF-ATVHPVEESA-N 459.296 4.753 10 10 JJCE CCOC(=O)[C@@H]1N2C(=O)[C@H](N=[N+]=[N-])[C@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 104152533 LGDCTGUWGJXHDU-MCEYFSPLSA-N 468.538 4.963 10 10 JJCE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C1 257657202 VEXJAUPCKQHHLQ-SFTDATJTSA-N 490.625 4.879 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526467969 AVEXYLRDLITNDT-XMMPIXPASA-N 488.540 4.614 10 10 JJCE CCn1c(/C(Cl)=C/c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 729643872 JIUWIDYPFNQZGY-RGEXLXHISA-N 469.998 4.615 10 10 JJCE CC(=O)N(c1nc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cs1)C1CC1 1615477720 QIERQWUYTLSLPC-UHFFFAOYSA-N 456.612 4.636 10 10 JJCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)c(C)s2)cc1 1859574347 YHUDPULCSAELLR-UHFFFAOYSA-N 457.577 4.548 10 10 JJCE O=C(Nc1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1)OCc1ccccc1 1860398109 BURSKXQLRXURMF-UHFFFAOYSA-N 483.505 4.920 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@H]2C)n1 1869128173 OPVDLHHJBFVLJD-HXUWFJFHSA-N 473.621 4.507 10 10 JJCE CSc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421392 VKUPJQHSFVXTOK-UHFFFAOYSA-N 488.657 4.960 10 10 JJCE O=C1NC(=S)SC1=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 2053527729 NXVWMRWFCYOOSH-UHFFFAOYSA-N 453.364 4.997 10 10 JJCE CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)SC1=S 2293175866 PRQRYLGGFGAONB-UHFFFAOYSA-N 495.376 4.646 10 10 JJCE C[C@@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302685460 OVFGVOXSNGWFDQ-SFHVURJKSA-N 456.542 4.983 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314769596 SJALAAUOVOYNGW-HXUWFJFHSA-N 480.611 4.709 10 10 JJCE CCCOc1cccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 2323880102 RWEDKARRMITCOW-NRFANRHFSA-N 456.633 4.988 10 10 JJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 2977199 UOISZDPBQMEFBP-SNAWGLRXSA-N 498.564 4.820 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(S(=O)(=O)NC2CC2)c1 10911041 ZKHHHBKSBQOEPL-SANMLTNESA-N 472.566 4.506 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14475663 MOGDSCLJPDZRTK-YDIMBITNSA-N 463.515 4.928 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@@H]2C=CC[C@H]21 14544178 SPOZWBMYPAHOHQ-MVOZIGHISA-N 489.641 4.611 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)ccc1O 15039317 RVSMTUMSSCNSGI-ZHZULCJRSA-N 456.589 4.719 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3F)CC2)cc1 20289450 YTKBPGLHBHYEMG-KOSHJBKYSA-N 453.583 4.578 10 10 JJCE Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 33298600 UFTGMCFYPPGHHW-UHFFFAOYSA-N 499.684 4.705 10 10 JJCE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 102826039 HIJFHRJUMZJJQF-WKSXIXGESA-N 490.654 4.893 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4OC)n(Cc4ccccc4)n3)CC2)cc1 1862349614 PCBWDZCFQUMKRY-UHFFFAOYSA-N 496.611 4.886 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCOCC2(C)C)n1 1868228839 YRAQEBDNNSLMEH-UHFFFAOYSA-N 456.546 4.734 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873165893 VNDRFCWEXNDWLN-UHFFFAOYSA-N 469.585 4.785 10 10 JJCE CC[C@H](NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2161551634 YRPQOYSGLUOCMM-RISCZKNCSA-N 455.315 4.899 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 2296882361 QKIPAEBFFRXILI-UHFFFAOYSA-N 460.602 4.877 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 2297365442 XYIXHMFTLSZXBJ-UHFFFAOYSA-N 472.342 4.914 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 2297459920 XNUNQRPTEFVXGU-UHFFFAOYSA-N 495.601 4.596 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C(C)C)c(OC)cc3C)C2=O)c1 2313556760 KHMLCXNXJBFHJM-UHFFFAOYSA-N 466.534 4.591 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c2ccccc21 2314767720 HOMUPBSTGUMJAE-IBGZPJMESA-N 466.584 4.621 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CN(C)Cc2ccccc2)c2ccccc12 13576219 AASCVVRBCAYONM-VUMGZPTDSA-N 478.596 4.940 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478048 DEYZECOAJMSAHH-AXHZCLLHSA-N 453.564 4.842 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 20236228 OBYQFFYUNHHPHF-PPTQLFOTSA-N 461.518 4.610 10 10 JJCE CCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O 27515479 IRZJHUKYLBBLIZ-XSFVSMFZSA-N 461.509 4.897 10 10 JJCE COc1ccc(C)cc1-n1cccc1/C=C1\C(=N)N2N=C(c3ccccc3F)SC2=NC1=O 32964291 BBJWDGCAZLFMPV-VUJLKEPGSA-N 459.506 4.601 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33529864 GGHQSRUYJLYOFJ-UDWIEESQSA-N 494.642 4.988 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCC)C2=O)cc1OC 40888448 HGZFJLFAUADXDU-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\SC(=S)N(CCCN(C)C)C2=O)cs1 98002405 NCGLDTPIRGBMTR-UNOMPAQXSA-N 474.677 4.597 10 10 JJCE CCOC(=O)c1sc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)nc1C 105570817 AMFKXKIZXSALIW-XGBCSFPLSA-N 454.537 4.627 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1ccccc1C(F)(F)F 210695710 VDXWRJIFLWOQSQ-LFIBNONCSA-N 452.479 4.641 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526144580 GEHRJPLJMAEOHA-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526284747 SFJPYGKEUSAWAL-RUZDIDTESA-N 487.512 4.829 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526369010 SMFTXLIFRKCIQS-HSZRJFAPSA-N 496.947 4.892 10 10 JJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(OCc3cscn3)c2)cc1 783523256 GWBWGWBBLWSKES-XMMPIXPASA-N 451.592 4.610 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 1083946910 VYGNYYWMQMTICS-QNGOZBTKSA-N 493.357 4.976 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)c1 1860874469 MUHLGCIZXPMXLO-RUZDIDTESA-N 470.617 4.533 10 10 JJCE CCc1sc(NC(=O)[C@H](N)CCSC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865920416 DDFNNXUHZASSBS-CYBMUJFWSA-N 471.442 4.546 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1866021124 WNLCWBNKEDBGIK-UHFFFAOYSA-N 495.557 4.816 10 10 JJCE CCN(CCc1ccncc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867967055 ACHQNRHXMGHDGI-UHFFFAOYSA-N 474.653 4.573 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)OCC2(C)C)n1 1868274559 DTNHTOOQSWBVJC-MRXNPFEDSA-N 456.546 4.562 10 10 JJCE C[C@@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccccc3)n2)CCO1 1868362702 CCXSMNAGSGTPSG-GOSISDBHSA-N 476.536 4.888 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869264962 LEYBSWRWJLJSFR-WOJBJXKFSA-N 494.039 4.746 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c([N+](=O)[O-])c1 1873424727 UCVFWXGVOGSJBL-UHFFFAOYSA-N 488.544 4.859 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cc(Cl)ccc4O)c4ccccc34)[C@H]21 1873909077 XYRNXVLVZHYTNJ-SANMLTNESA-N 486.959 4.786 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H](C)N1C(=O)OCc1ccccc1 2106880338 IIJATXNQNDDEFH-PMACEKPBSA-N 494.636 4.798 10 10 JJCE Cc1cc(C)c2c(c1)S[C@@H](NC(=O)CN1C(=O)C(=Cc3ccccc3Cl)SC1=S)N2 2296885546 ZJNVFRKISTXNJI-FQEVSTJZSA-N 476.048 4.776 10 10 JJCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 2297341681 OHROWFADXBEGGY-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(F)cc1 2313549506 XXOYDXKEKZKTJI-UHFFFAOYSA-N 474.488 4.697 10 10 JJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 2313560602 ZFJWUTZBCUEDFB-UHFFFAOYSA-N 478.346 4.865 10 10 JJCE Cc1ccc(C(=CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 2332077554 UFMJMDKUSWIORN-UHFFFAOYSA-N 478.548 4.627 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640891 HGTMRTMLQHKKCY-DFIYOIEZSA-N 484.618 4.714 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(F)cc3)CC2)cc1 20289518 UTXOTSVKKNOUMG-SIBVEZHUSA-N 467.610 4.507 10 10 JJCE COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 27572583 AUGNMUSTKAHLRX-QNPCYTEQSA-N 463.559 4.937 10 10 JJCE CN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)c2cc(Br)ccc21 33527488 UIAAFPIELUGINF-LTGZKZEYSA-N 486.369 4.919 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@@H](c1cc(Cl)ccc1O)N2 65298010 ZCJWALQXXYKZJY-QFIPXVFZSA-N 471.985 4.917 10 10 JJCE biogenic CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526376203 HGYMVLAXYLHPFU-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CC(=O)N1CCCCCCCN(Cc2ccccc2F)Cc2cc(N3CCOCC3)ccc21 643563065 JUEIHSGTLWEFSB-UHFFFAOYSA-N 453.602 4.982 10 10 JJCE CCCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860769234 XRCGFLDEEQSAIO-UHFFFAOYSA-N 467.547 4.580 10 10 JJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@@H]2C)n1 1869218110 TXAUWOGDPWTSEP-NRFANRHFSA-N 487.648 4.897 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420292 XXLCCGHRMREVFI-RUZDIDTESA-N 484.600 4.531 10 10 JJCE CC1(c2c(C3CC3)nn(Cc3cccc(Br)c3O)c2I)CC1 2079743003 WOQUXBBWPSASMC-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3cc(Br)cs3)cc2)CC1 2286071901 UJEHBPMFPGRUGE-GOSISDBHSA-N 453.402 4.649 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1 2297344254 GCSSEZJEQIGVKI-UHFFFAOYSA-N 493.545 4.992 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2313510669 BYDVJXWGIOUQFS-UHFFFAOYSA-N 478.328 4.896 10 10 JJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 2832764 RMOGKOXPAXDADB-LFIBNONCSA-N 471.347 4.902 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OC(C)C 40940108 PEIXVTPSWDFMLV-ZDLGFXPLSA-N 462.980 4.682 10 10 JJCE COCCN1CCCCC[C@@H](O)c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc21 257196944 ZEMCMQRXDALZSI-MUUNZHRXSA-N 479.665 4.913 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526307788 IGMATXGBKPDLLS-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE O=C1OCCN1c1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 914794483 HNCKWLGNDIGDBF-QFIPXVFZSA-N 455.474 4.803 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918735235 FXHAKGNDRTWDFO-JYRVWZFOSA-N 458.508 4.895 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 1084600414 PMGKABVOVPHWSW-MOSHPQCFSA-N 495.304 4.834 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)cc1 1860076537 IGGKXFJRLYJJDO-LICLKQGHSA-N 457.602 4.985 10 10 JJCE COC(=O)c1c(NC(=O)CCCN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1 1866217646 BVUICECWIOCALL-UHFFFAOYSA-N 490.581 4.762 10 10 JJCE CCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839830 RKQOJUKSHIVHAI-UIOOFZCWSA-N 482.644 4.524 10 10 JJCE CC(=O)c1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871286948 CQGADEZQEOVTQM-SRZZPIQSSA-N 468.600 4.764 10 10 JJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873164743 PZCRIZRYOKIKHV-UHFFFAOYSA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873165652 OLZZCTPGOYNEJN-CYFREDJKSA-N 463.622 4.767 10 10 JJCE COCCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420859 XIBUKSFAYVLRTQ-UHFFFAOYSA-N 467.928 4.725 10 10 JJCE COc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1952794783 QGXPCHIEYQSXDR-DHLKQENFSA-N 459.498 4.798 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)S1 2293682594 FIHYQYABUDOKRM-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@@H](C)CC 2297561548 KNEZPCRKGVWUFY-HNNXBMFYSA-N 486.615 4.817 10 10 JJCE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 2313621449 MRGGNBGUUJFCJE-UHFFFAOYSA-N 451.617 4.725 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccccc3Br)SC2=S)N(C)C)cc1 2323880160 XPDBCICXOBLGQS-SFHVURJKSA-N 477.449 4.962 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C2=O)cc1Cl 1120236 YUIRJRDIXCOSCO-LFIBNONCSA-N 466.833 4.668 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc(F)cc3)CC2)cc1 20289481 BZGRHFXSOQDNBA-UUOWRZLLSA-N 453.583 4.578 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc(C)cc1 40888533 LFILYHQKDDBHMV-UUYOSTAYSA-N 485.627 4.983 10 10 JJCE Cc1cccc(C)c1NC(=O)CN(CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 96774086 VJJZFDOTONGMCT-UHFFFAOYSA-N 495.579 4.511 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)o1 102467737 SIYAYXZRVBGYNV-XYTBZZNTSA-N 455.521 4.881 10 10 JJCE O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 195562270 AWEJRZUHCIWASI-UHFFFAOYSA-N 463.553 4.826 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526602992 FQHANTPOXPMFNA-LJAQVGFWSA-N 496.655 4.866 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2nc(C(C)C)cs2)sc(C)c1-c1ccc(C)cc1 1860767313 NBLLNHHNLQHPMC-UHFFFAOYSA-N 457.577 4.976 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCCCC2)cc1 1865965085 OQGLFFUORLQUMZ-MHZLTWQESA-N 455.602 4.941 10 10 JJCE CN(C)c1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873894789 YSKMVAXAFLQFIN-UHFFFAOYSA-N 477.568 4.669 10 10 JJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C(F)(F)F 2079683987 FKNWEWCPQJMWBT-UHFFFAOYSA-N 464.147 4.842 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 2313682773 KLOWIADKVBGUJJ-UHFFFAOYSA-N 461.493 4.989 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 2328566280 HXQVPJHNGNSJTB-MHZLTWQESA-N 490.003 4.568 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 1053625 HECFYDYZBKXMSY-XZEIMLRBSA-N 454.954 4.599 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 15044074 BBVQTLVCPFSBBY-ZHZULCJRSA-N 474.579 4.940 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 32964478 QVNSIRHUHRLSLD-CYPXAJCBSA-N 478.534 4.594 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 33457184 PPBCGEYLVWDCPG-KHHNAJNHSA-N 489.340 4.860 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(Br)c1O 38189030 CAHOJNAGXQWRRS-QPEQYQDCSA-N 465.687 4.714 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526441053 BNPOFZJXOQFHPL-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(C)ccc1OC 586247046 HQVCNVSDJZMUOR-UHFFFAOYSA-N 463.555 4.774 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N(C)c2ccccc2)sc(C)c1-c1ccc(OCC)cc1 1860748240 UCIFDVVNEYYJTP-UHFFFAOYSA-N 466.559 4.900 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c[nH]nc3c2)sc(C)c1-c1ccc(C)c(C)c1 1860749157 VBXVOCQRQCJISO-UHFFFAOYSA-N 462.531 4.580 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)cc1 1862313195 MQOIKSGZDORBCN-UHFFFAOYSA-N 452.986 4.839 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422043 CKRVFZCQBAUHQY-UHFFFAOYSA-N 456.502 4.665 10 10 JJCE O=C(N[C@@H](CC1(c2cccc(O)c2O)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952108660 HFXLKQFWIDILAM-QFIPXVFZSA-N 459.498 4.511 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2053467530 OSPKETKWSIKRRR-NSHDSACASA-N 474.412 4.642 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2079858851 WNSAQPQSSOWDHN-AWEZNQCLSA-N 465.266 4.801 10 10 JJCE CC[C@H](NCCC1(OC)CN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2167650360 GKZUFMACYMQALD-FQEVSTJZSA-N 477.399 4.623 10 10 JJCE Cc1ccc(OCCOCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2293568250 OFMOJFRTFVRYIU-UHFFFAOYSA-N 494.432 4.721 10 10 JJCE Cc1cc(OCCCOc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2)ccc1Cl 2297365751 LAAWLNLBDDTZRT-UHFFFAOYSA-N 454.939 4.745 10 10 JJCE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 2314401314 XONXJEUSVDMRCZ-UHFFFAOYSA-N 497.045 4.658 10 10 JJCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836678 ILHFASOTTXFVGB-LLVKDONJSA-N 492.376 4.586 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837050 NPMJSMQTKNZVGC-NSHDSACASA-N 465.369 4.817 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)SC1=S 2331594875 MEVGRFNRYSNRLA-UHFFFAOYSA-N 480.533 4.979 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 1218877 HWVUJBLCKGJSSE-XDHOZWIPSA-N 477.991 4.692 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1O 14457132 GXOOPHZSJPSURN-FHAGJXEFSA-N 454.592 4.648 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 33695658 FEPPJLIFJBHBND-VOEWDTPYSA-N 474.947 4.615 10 10 JJCE CCOc1c(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cccc1OC 59860699 NXWSJSGVEKTSRN-RVDMUPIBSA-N 459.296 4.672 10 10 JJCE CCCCN1C(=O)/C(=C/Nc2cccc(Br)c2)C(=O)N(CCc2ccccc2)C1=O 103840059 YEXVMMIGYKWLAN-SILNSSARSA-N 470.367 4.579 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526391309 DDNAOFSROJMPOG-RUZDIDTESA-N 490.512 4.521 10 10 JJCE COCCN(Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O)C[C@H]1CCCN2CCCC[C@@H]12 1614473778 PMMPCFUQDDXMBO-NLFFAJNJSA-N 464.606 4.673 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCC(C)CC2)cc1 1705479808 LVLDGQINTOHWNA-LJQANCHMSA-N 495.469 4.789 10 10 JJCE CCOC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1 1860749132 UFTUQOQKNALMJT-UHFFFAOYSA-N 494.569 4.881 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2c2ccccc2)cc(Br)c1O 1865666120 DZXDXTKDVBDMJB-UNOMPAQXSA-N 463.331 4.993 10 10 JJCE Cc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866948842 HXJATMXTTHNTOY-UUOWRZLLSA-N 468.553 4.653 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867971652 DWDUNJXJTZCENU-VXKWHMMOSA-N 457.622 4.961 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CCN(Cc2ccccc2)CC1(C)C 2194939221 WWNNFNVTSXGYHM-MUUNZHRXSA-N 466.670 4.777 10 10 JJCE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1CCC1CCCC1 2297576613 VNWPHQHOSJCZIL-UHFFFAOYSA-N 459.374 4.778 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 2313543603 SXGAGBMARRDUOM-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2313681313 BFTQDPJOZNEMEP-UHFFFAOYSA-N 475.574 4.771 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(Oc3ccccc3F)nc12 2314509711 XGLXXUIQUDRBKA-UHFFFAOYSA-N 455.536 4.544 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314837959 YYTCRIKLJMBLDO-LBPRGKRZSA-N 477.405 4.692 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 27548706 HEBHOVHLLDPROK-WOJGMQOQSA-N 457.269 4.501 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCC(C)C)nc12 34367702 PEBVJJAAYQLLRU-YBFXNURJSA-N 482.606 4.611 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 40938553 QQOOPLJZNUICQS-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 96557002 QLZZRONUHDKBPC-SVBOREBNSA-N 482.949 4.987 10 10 JJCE COC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C2C(F)(F)F)cc1 100281599 UQUNWYNORYLNHO-GDNBJRDFSA-N 473.329 4.633 10 10 JJCE Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)n1-c1cccc(C(C)C)c1 107928916 PJMYYTQAMZCXQW-UHFFFAOYSA-N 485.675 4.862 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OCC 1858589913 PBFFSRBMMSBCOQ-PXLXIMEGSA-N 473.616 4.945 10 10 JJCE CCCCOCCCn1cc(OCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870660517 CCYPLAWAUKQIOR-UHFFFAOYSA-N 485.669 4.565 10 10 JJCE COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884265 OAMWMHAHUSDNTO-NRFANRHFSA-N 459.590 4.517 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 2297469138 UODQGHATPGRFEO-UHFFFAOYSA-N 451.552 4.531 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 2297559161 WXDXPDOEPLFAFE-UHFFFAOYSA-N 471.582 4.900 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314836636 HUSSKWXPHSIMPQ-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139772 QIKJOWGGAFANAD-UHFFFAOYSA-N 463.578 4.837 10 10 JJCE Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 27808443 VBGMCDGUWZNNEZ-SFHVURJKSA-N 453.608 4.698 10 10 JJCE CCOc1c(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cccc1OC 59860704 YYQUSTCGOKDAJT-PTNGSMBKSA-N 473.323 4.980 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 96838604 SFWMMANLRWRKMN-NDENLUEZSA-N 487.468 4.998 10 10 JJCE O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 105689314 CLMQLQSUHUWEGH-QHCPKHFHSA-N 452.432 4.632 10 10 JJCE COC(=O)CN(Cc1ccccc1C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12 108928189 QDJRYIOMRQIBBE-UHFFFAOYSA-N 457.526 4.958 10 10 JJCE CCc1cccc(CNc2cc(I)cc(I)c2)c1O 691481143 FZSFRTBJMRECBT-UHFFFAOYSA-N 479.099 4.776 10 10 JJCE Oc1cc(Br)ccc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705639893 DOLPWBCYFVRXDR-UHFFFAOYSA-N 467.407 4.716 10 10 JJCE Brc1cc(CN[C@@H](CN2CCOCC2)c2ccccc2)ccc1N1CCCCC1 1199021546 KUQNVPIWVXOWOA-QHCPKHFHSA-N 458.444 4.603 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C(F)(F)F)CC1 1749845865 ABSUJRXMFNQDSF-UHFFFAOYSA-N 488.558 4.610 10 10 JJCE COc1ccc(C)cc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345100 TYDRMCOAWHAUTB-UHFFFAOYSA-N 464.525 4.530 10 10 JJCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)SC1=S 1860826585 IROLPRKOZIOBKW-ZCXUNETKSA-N 493.393 4.586 10 10 JJCE COc1ccc(CCOc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871052265 MMSJSFVIIQXODB-UHFFFAOYSA-N 485.584 4.826 10 10 JJCE Cc1ccc(C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873426353 UVQRCCGFXQRWIZ-UHFFFAOYSA-N 479.584 4.869 10 10 JJCE COc1ccc(N2CCN(c3cnn(-c4ccc(Cl)c(Cl)c4)c(=O)c3Cl)CC2)cc1 1873524883 JOECDXITPCOVEW-UHFFFAOYSA-N 465.768 4.528 10 10 JJCE Cc1ccc(O)c(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873879687 YCNPXDWRZZAQLL-NDEPHWFRSA-N 480.568 4.831 10 10 JJCE CN[C@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)c(Br)cc21 2034744389 XCAPNPWKGFDPGT-RUZDIDTESA-N 493.449 4.800 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=O)c2I)C(C)(C)C)c(O)c1 2079852724 ADFJFMRCAUJNQO-QGZVFWFLSA-N 470.351 4.947 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)o1 2297561117 LRRUSJWKFORAQM-UHFFFAOYSA-N 455.517 4.819 10 10 JJCE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 2313631490 OSAOJBZENBSFRN-UHFFFAOYSA-N 499.567 4.713 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 2783292 DJLYAVHOIIDIDW-MTJSOVHGSA-N 476.510 4.937 10 10 JJCE COCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 12285144 GJWCPHBOMZJDBG-JXAWBTAJSA-N 452.605 4.610 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(C)ccc3C)ccc21 20729394 DNLGFAFSIDNEOE-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cccc(OC)c1 27572634 ZVOIRMYITPHECT-QNPCYTEQSA-N 479.558 4.719 10 10 JJCE COc1cc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)ccc1O 33437649 KTSLKRSWBWLUDA-PLRJNAJWSA-N 485.609 4.778 10 10 JJCE Cc1cc(/C=C/C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)n1-c1ccccc1 106016865 PTUFUVNXDXEAHC-ZHACJKMWSA-N 467.529 4.576 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4F)n3)CC2)cc1 209667097 UPFYTTUDRDLQAX-JYRVWZFOSA-N 494.592 4.728 10 10 JJCE CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(F)F)C1 1760590906 JDKXYGRPJJVDOQ-NRFANRHFSA-N 484.595 4.703 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 1858588386 CKKORIYBJHDGJI-CTVVOUAOSA-N 472.676 4.960 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1860760663 BXJADKCUFZZPNV-MRXNPFEDSA-N 450.560 4.943 10 10 JJCE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)c1cc(O)c(O)c(O)c1 1865876527 QMIVVRLVCBIZFN-UHFFFAOYSA-N 453.516 4.840 10 10 JJCE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873424189 NAMRBFGDHQZTFA-UHFFFAOYSA-N 471.557 4.871 10 10 JJCE CSc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425967 LPBBMRRCMSQWIU-UHFFFAOYSA-N 497.624 4.974 10 10 JJCE O=C(NOCCCNCc1cc(F)cc(F)c1O)OCC1c2ccccc2-c2ccccc21 1937204278 BMXVJNOXHRTOSN-UHFFFAOYSA-N 454.473 4.620 10 10 JJCE CCN1CCc2cc([C@H](O)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268750064 HLSDARNAMGPQHM-DEOSSOPVSA-N 452.595 4.556 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC 2297306870 LAHGSTJMVBOVTL-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2297307146 FRXPNSNSQBFGNH-UHFFFAOYSA-N 493.545 4.636 10 10 JJCE CCOc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 2297346711 XEBQBOBCOYHUJH-UHFFFAOYSA-N 455.543 4.852 10 10 JJCE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2313501977 QACOKAVZBHLQEK-UHFFFAOYSA-N 477.405 4.897 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccc(Cl)cc2)N=C1C(F)(F)F 2332141240 OTUHETJBTODJMM-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE N=C1/C(=C\c2ccccc2OCCOc2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018118 KPIAGFBZMNNZAR-KPQRNUFCSA-N 468.538 4.812 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 20154866 LJWIYKARCGCQOA-WTZVULCFSA-N 498.586 4.863 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 64636032 BCVAUANWFHGQRD-UHFFFAOYSA-N 461.585 4.662 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526468265 GGTWFFJIJDZPKT-RUZDIDTESA-N 472.541 4.995 10 10 JJCE CC1CCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586660960 ZJWNOKZUMKBUMS-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)n2)cc1OC 727242314 WZVNDCBUHFQAQR-UHFFFAOYSA-N 458.483 4.955 10 10 JJCE CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 731403607 PSYVFOMZZRTHBN-SLFFLAALSA-N 457.590 4.611 10 10 JJCE COc1ccc(CN(C)C(=O)COC(=O)c2ccccc2N=Nc2ccc(O)cc2)cc1OC 784504754 DUCCERCKUBIRLI-UHFFFAOYSA-N 463.490 4.640 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)c1 1084614001 OZZKMHXFAJKHJG-JWGURIENSA-N 456.498 4.817 10 10 JJCE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1705785846 ZEYUONFDAFFMGD-OYRHEFFESA-N 498.647 4.705 10 10 JJCE CCN(Cc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344983 LOYHIEGVECFFGS-UHFFFAOYSA-N 462.553 4.623 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cccc3c(-c4ccccc4)[nH]nc23)c2nccn2C)cc1 1866211257 NAFBQKSKJPRINN-XMMPIXPASA-N 450.546 4.549 10 10 JJCE CC[C@@H](NC(=O)CCCc1ccccc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867120140 BZEVUOXXFWAYMB-HSZRJFAPSA-N 468.553 4.627 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166880 ZZLCMGBVISUTML-UHFFFAOYSA-N 493.611 4.559 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C[C@@H]1C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952233166 FRBJFSGTEZILOA-PNCHPQGNSA-N 473.525 4.658 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2078992721 SBCIGRDHOJRXDK-IBGZPJMESA-N 480.346 4.945 10 10 JJCE COc1ccc(Cn2nc(C(C)(C)C)c(C(F)(F)F)c2I)c(O)c1 2079720607 QUBTYHTTZZXUKI-UHFFFAOYSA-N 454.230 4.567 10 10 JJCE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 2293296170 FQORYKUFRSSUFQ-UHFFFAOYSA-N 479.536 4.691 10 10 JJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314769379 PGZOCUXBDQBNIJ-KRWDZBQOSA-N 478.389 4.573 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1OC(C)C 2314769564 RXNQHRFJTNNTNH-FQEVSTJZSA-N 457.573 4.900 10 10 JJCE CC1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9642274 ABULCEORXFORAU-UHFFFAOYSA-N 496.567 4.831 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(SCc4ccccc4F)c([N+](=O)[O-])c3)CC2)cc1 20663495 VYAKXJLWAXNQFY-UHFFFAOYSA-N 481.549 4.997 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 72413183 WBSBSBJMBJGTHI-VWLOTQADSA-N 461.949 4.975 10 10 JJCE CCCCn1cnc2sc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(C)c2c1=O 96465647 SALAFRRYFQLQBX-UHFFFAOYSA-N 471.538 4.594 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C\c3cccc(OCc4csc(C)n4)c3)CC2)cc1 207257147 SZCZEGIOTYXDQJ-WDZFZDKYSA-N 463.603 4.838 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526468297 CZLCYOMIFSZUBH-RUZDIDTESA-N 488.540 4.614 10 10 JJCE CC/C(=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1858135012 PRIZYJUMJKUNMR-BMRADRMJSA-N 459.384 4.609 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008566 NBXXJBQMHKWFJI-JOCHJYFZSA-N 496.995 4.636 10 10 JJCE C[C@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867119467 JHMPLECQMRGQTF-INIZCTEOSA-N 474.944 4.582 10 10 JJCE CC[C@H](NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854674 ZUGCCCKTROHFGR-RRPNLBNLSA-N 479.665 4.802 10 10 JJCE CCN(CC)CCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164068 KOAAKWAXQGSHAQ-UHFFFAOYSA-N 488.632 4.679 10 10 JJCE COCCCN1C(=O)C(Nc2cccc(C)c2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420338 LRJLHDWLDVPLED-UHFFFAOYSA-N 457.574 4.939 10 10 JJCE C[C@@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 1881515257 KCRKCAJDDOCYND-JIPXPUAJSA-N 452.643 4.530 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1952347683 VMJNHSKBLPICNP-BVAGGSTKSA-N 495.478 4.658 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079032267 ZWDYDIADPOIVKO-INIZCTEOSA-N 468.335 4.887 10 10 JJCE CCc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296042368 DVPMGHGYKRXBQD-UHFFFAOYSA-N 497.551 4.928 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296063114 AQPNIIPDWSNMPW-UHFFFAOYSA-N 473.945 4.981 10 10 JJCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc12 2297343514 VKUPHZGGTYKYQZ-UHFFFAOYSA-N 482.467 4.930 10 10 JJCE CC(/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 15047307 GTTYXBORWFERTG-NXDIWGBQSA-N 452.557 4.560 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@@H]2C=CC[C@H]21 20718724 SPSWLRMKYKXXNU-VHFRWLAGSA-N 476.598 4.696 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33467405 AVEHNTSLTQKPHM-NBVRZTHBSA-N 456.637 4.749 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 33643588 CKXXMWPCENNHFM-HYARGMPZSA-N 492.578 4.526 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)cc3Sc3ccccc3)cc2)CC1 1154271319 ODPVMOCBWMACOF-UHFFFAOYSA-N 459.615 4.745 10 10 JJCE C[C@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1ccccc1C(F)(F)F 1858687794 RZMJJSOZLOPOBW-ZDUSSCGKSA-N 460.412 4.700 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nc2c(s1)CCC2 1860344725 BLTQKYLQAZYGPK-UHFFFAOYSA-N 481.581 4.548 10 10 JJCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864007504 OGYPMSOANLPICN-DEOSSOPVSA-N 488.588 4.516 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)Cc4ccccc4)nc(-c4cccnc4)n3)CC2)cc1 1868001913 WAWBJLQSJJXPDT-UHFFFAOYSA-N 466.589 4.510 10 10 JJCE CCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163903 CBHUTICHXUIZTD-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418464 JRXJJTNIWNPSMX-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE COCCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419844 BRIQKGXIGQZNEC-UHFFFAOYSA-N 483.490 4.951 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079855578 ORBSHRIVSCPVLO-CQSZACIVSA-N 463.250 4.555 10 10 JJCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163165144 NCDUUDGKRKZLNI-ROUUACIJSA-N 474.646 4.692 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 2297310420 UETZAEHAXXFRLS-UHFFFAOYSA-N 484.965 4.836 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1C 2313549163 OOROCIHHJLHZDM-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(Br)o3)C(=O)N(c3ccccc3)C2=O)cc1 2313560449 UCIBDZJAALRSCB-UHFFFAOYSA-N 451.276 4.934 10 10 JJCE Cc1ccc(CN=c2[nH]c(C(C)(C)NC(=O)OC(C)(C)C)cs2)c(O)c1Br 2380807349 XHKOTZBJZKMGHM-UHFFFAOYSA-N 456.406 4.713 10 10 JJCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14471711 JGVGFGAKTDTCSJ-AWRGLXIESA-N 453.564 4.986 10 10 JJCE O=C(O)CCCCCCCCCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 35655937 PSCFFHWFFNBPLT-ZZEZOPTASA-N 476.664 4.990 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 39835603 WXNDAQPLBRWYSA-NBVRZTHBSA-N 451.573 4.797 10 10 JJCE CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)n2nc(SCc3ccccc3)nc2N1 54642664 GFANNRFDFKHLPV-JOCHJYFZSA-N 463.607 4.877 10 10 JJCE Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3o2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 69841638 ZNGTUFJDBINHLY-UHFFFAOYSA-N 475.979 4.511 10 10 JJCE CC(=O)c1cccc(OCc2cc(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)no2)c1 1534543145 QCWAVDXZQOZUDL-UHFFFAOYSA-N 457.530 4.836 10 10 JJCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)c(C)s1 1859572350 BDBMJWFZKSGLEY-UHFFFAOYSA-N 457.577 4.511 10 10 JJCE CC(=O)c1sc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)nc1C 1860345052 PXMCHFLEWNKALK-UHFFFAOYSA-N 497.580 4.571 10 10 JJCE CC[C@](C)(NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861963082 NOIFFIFXDGUDNS-QHCPKHFHSA-N 498.838 4.903 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(N(C)C)ccc3c2=O)sc(C)c1-c1ccccc1 1866421644 DELUXJUFXJOIIF-UHFFFAOYSA-N 461.543 4.670 10 10 JJCE CCCCOCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165313 HMQNGAOGEDLXFS-UHFFFAOYSA-N 495.664 4.786 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873168724 HGOTWXPNGBBTRO-UHFFFAOYSA-N 491.657 4.883 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420353 LZHUZQUNUZQCNB-UHFFFAOYSA-N 488.544 4.619 10 10 JJCE Oc1c([C@H](c2ccccn2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Cl)c2cccnc12 2059179294 KHEYTFVKXZEGSF-AREMUKBSSA-N 488.975 4.625 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079007305 QPXSGGYQIKHVGG-GOSISDBHSA-N 468.335 4.801 10 10 JJCE CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2c1 2293453426 CKYGOSNHYVIUNC-UHFFFAOYSA-N 464.518 4.608 10 10 JJCE CC(C)(C)c1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(C(C)(C)C)c1O 2313558870 LQHYRRPSROLDNT-UHFFFAOYSA-N 454.567 4.958 10 10 JJCE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331595140 RPJXBUWQGXVIDE-UHFFFAOYSA-N 456.589 4.570 10 10 JJCE O=C1C(=Cc2cc(Br)cc(Br)c2O)C(C(F)(F)F)=NN1c1ccccn1 2332131446 UIHQVKDYVJEVTD-UHFFFAOYSA-N 491.061 4.661 10 10 JJCE COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 14135318 DZUDECRVBRMEMS-FLIBITNWSA-N 486.174 4.596 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c(C)c1 33691247 YADNMKXGWDGXJQ-JJIBRWJFSA-N 488.613 4.939 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N([C@H](C)CC)C1=O 34387762 JTSBVYHRDGBGKZ-APVMCDBPSA-N 458.653 4.629 10 10 JJCE COc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c1O 34683938 HHSAFVCBHZHORT-UHFFFAOYSA-N 484.593 4.708 10 10 JJCE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccc(C)cc4)s3)=NC2=O)cc1 54201823 ZABWTIMSDWJHNT-BOPFTXTBSA-N 497.627 4.668 10 10 JJCE Cc1cc(I)ccc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 59377338 KKZLWVBHDJDXFT-WOJGMQOQSA-N 493.370 4.772 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 95547689 NVTBGEZFVXFMPM-UCQKPKSFSA-N 456.546 4.551 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 103750098 WPILBRKKDIMASD-CHNJVZACSA-N 499.976 4.982 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 206709488 GLFXNSIKUBZBQJ-QZQOTICOSA-N 474.648 4.918 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(CCCOc2ccccc2)c2ccccc12 1084653387 SRWMBLVMPCIWCV-MOHJPFBDSA-N 471.557 4.905 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862374100 GHNZLWVAUHCCGY-UHFFFAOYSA-N 486.547 4.658 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3c(Cl)ccc(Cl)c3[nH]2)N2CCCCC2)cc1 1866535421 WTVLBEXUKIAKEK-OAQYLSRUSA-N 487.431 4.858 10 10 JJCE CCCCCCOc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870677036 PHFIKXNSLFHCSQ-UHFFFAOYSA-N 479.621 4.780 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425531 DCAMLURWTYFLIR-UHFFFAOYSA-N 498.627 4.831 10 10 JJCE CCc1ccc(-n2nnc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)c2-c2ccncc2)cc1 1891806697 DJJRUIUMNPRWFV-NVQXNPDNSA-N 478.600 4.810 10 10 JJCE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1891998493 SNUFLDUSGAFRIY-UHFFFAOYSA-N 460.320 4.835 10 10 JJCE O=C(NCCNCc1cccc(Br)c1O)OCC1c2ccccc2-c2ccccc21 1954826994 PUGFDBPTMAXHAX-UHFFFAOYSA-N 467.363 4.783 10 10 JJCE CC1(c2nn(Cc3cc(Cl)ccc3O)c(I)c2C(F)(F)F)CC1 2079715791 MTMUNPJSHRJSCO-UHFFFAOYSA-N 456.633 4.965 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3cc(C)cc(C)c3)C2=O)cc1Cl 2296050384 DPXZPFMUELTKQC-UHFFFAOYSA-N 493.947 4.512 10 10 JJCE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712252 OCXFZSYPXCBNSK-UHFFFAOYSA-N 486.018 4.553 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C 2297469554 SNYDPDIMCAQINL-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC 2313548893 IFILISHAMATPBZ-UHFFFAOYSA-N 493.741 4.566 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cc(C)c(C)cc3C)cc2)SC1=S 2314768636 LMZDOCNLVHCAPN-UHFFFAOYSA-N 455.601 4.955 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1O 2321629439 ULPHMBGRMDFNGB-UHFFFAOYSA-N 451.953 4.867 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccsc3)SC2=S)cc1OC 2323681336 PGVJRKYZNUOOKA-OAHLLOKOSA-N 463.602 4.963 10 10 JJCE Cc1ccc2c(Cl)c(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)sc2c1 33491575 PICWACRHMZSSQF-SFHVURJKSA-N 477.051 4.759 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(Br)c1O 38166662 PDKZBJZVHPECSC-NVNXTCNLSA-N 459.296 4.677 10 10 JJCE COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 40845927 PKGRNMLBPMPLMC-UHFFFAOYSA-N 466.287 4.554 10 10 JJCE CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(OCC)c1 101580036 QFWRSQSHDJVYKU-YBEGLDIGSA-N 473.323 4.838 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526468348 DFEUFIYJDVLQOJ-RUZDIDTESA-N 488.540 4.614 10 10 JJCE Cc1cc(CCNC(=O)c2occc2CN2C(=O)Cc3ccccc32)c(C)n1-c1ccccc1 728514286 ZKANCYDFKJCCJZ-UHFFFAOYSA-N 453.542 4.749 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(C)C)cc1 1084093549 CVOCDYUHIKIQMN-UUYOSTAYSA-N 471.513 4.613 10 10 JJCE CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)sc2C1 1860745141 AAFCJXZPOYZDGH-AWEZNQCLSA-N 487.581 4.647 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cccc21 1861858410 QWZAEYYOEJJPQF-SFHVURJKSA-N 458.945 4.966 10 10 JJCE CC[C@@H](C)NC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870956285 GXPXHHQHAHWDHA-OAQYLSRUSA-N 492.620 4.534 10 10 JJCE CCCOc1cn(CCCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871106035 ZUDOYTZAIWMRIZ-UHFFFAOYSA-N 476.621 4.715 10 10 JJCE CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874016947 ITPHAECQTBTWOV-UHFFFAOYSA-N 481.504 4.847 10 10 JJCE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163169002 GEASHRDRXQLJBR-SFHVURJKSA-N 474.646 4.693 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 2293355597 RPOHJUZDHXYAKW-LJQANCHMSA-N 488.506 4.965 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOc1ccc(Br)cc1 2294593344 KDSNGZGTCDQUID-UHFFFAOYSA-N 480.405 4.747 10 10 JJCE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296539281 LCDXXFQKXKZCRC-UHFFFAOYSA-N 486.018 4.553 10 10 JJCE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(OC)cc1 2297313915 QSVODTRNSRDLOW-UHFFFAOYSA-N 479.558 4.719 10 10 JJCE COCCNC(=O)Cn1cc(C=C2C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 2297319024 UBRBYNOFOAWILM-UHFFFAOYSA-N 451.526 4.623 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 2314754408 RMHFUYVIMWLEDG-UHFFFAOYSA-N 460.621 4.528 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 14475931 CVXFZRFPQCTTLR-ZYLNGJIFSA-N 477.542 4.605 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)CC)C1=O 34387761 JTSBVYHRDGBGKZ-HZGBGQKMSA-N 458.653 4.629 10 10 JJCE CCOC(=O)c1c(COc2ccccc2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393630 WTAMBSFVXSNRAU-UHFFFAOYSA-N 459.546 4.763 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(OC)c3)C(=O)N=C2S1 103564999 JLAVKFHRJVTAIC-WZHFLWTNSA-N 478.574 4.799 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(O)cc2O)N3)cc1 226794225 BCLDXINCVCUALZ-FHAGJXEFSA-N 464.543 4.734 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526186552 ZXJAPDYATIUPTE-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526375899 FEFKTPSBRSNHIU-VWLOTQADSA-N 477.513 4.961 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 1859572002 BDAMWSKBTDLAAT-UHFFFAOYSA-N 461.996 4.827 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)cc1OC 1865675373 DSEROZAEBSSZJM-HAVVHWLPSA-N 477.605 4.914 10 10 JJCE CCOc1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1873506395 GICHNBCXACBUDC-UHFFFAOYSA-N 456.546 4.600 10 10 JJCE CC[C@@H](C(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951901139 IJAFVCIBUGTJED-UZUQRXQVSA-N 461.514 4.658 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2053513308 MIHVRSCYJLGIPN-FQEVSTJZSA-N 496.522 4.891 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1C 2297347569 IZLLBTDMOXAYFH-UHFFFAOYSA-N 482.334 4.795 10 10 JJCE Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2313557928 PDMHQYXYQROCAJ-UHFFFAOYSA-N 451.885 4.861 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)sc2c1 2314563192 VPFHCVWUTDKZDB-UHFFFAOYSA-N 461.615 4.596 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314831092 CIGPNWRYYFHUCO-UHFFFAOYSA-N 498.626 4.969 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)ccc1OCc1ccccc1 2323813090 XHAZUHAHFAGXGJ-SFHVURJKSA-N 471.600 4.975 10 10 JJCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc21 11858046 QDAURSAPIRECAF-UHFFFAOYSA-N 471.604 4.654 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc4ccccc24)N3)CC1 14464014 OEMAUOSXKADPAZ-GYZWWNDVSA-N 459.615 4.602 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 33308925 OUWYZLQYEACQMI-PDGQHHTCSA-N 497.732 4.783 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 33529806 IANKAZHAXQOJHK-PDGQHHTCSA-N 468.604 4.599 10 10 JJCE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4ccccc4C)s3)=NC2=O)cc1 54201827 KVVBWNBJXIMHDI-BOPFTXTBSA-N 497.627 4.668 10 10 JJCE CC(C)(C)c1cc2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1868177235 QXAYIXMWXPGZDS-UHFFFAOYSA-N 464.525 4.932 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccc5ccccc45)n(C(C)(C)C)n3)CC2)cc1 1869970536 NEPPTPYNASXJAW-UHFFFAOYSA-N 498.631 4.703 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873165932 XGSGFBWMRJYRON-UHFFFAOYSA-N 474.649 4.582 10 10 JJCE COCCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420952 ZVOGHRXQIIDKFM-UHFFFAOYSA-N 498.627 4.923 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](CNCc1cc(Cl)cc(Br)c1O)CC(F)(F)F 2117335786 RFBRDRJSBYQGDI-LLVKDONJSA-N 461.706 4.743 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1 2293202285 MBRDIMDIKZEEFJ-UHFFFAOYSA-N 480.405 4.747 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 2293402380 UIWDYZPTKGTDEL-UHFFFAOYSA-N 451.331 4.687 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1 2293456969 TWTDNABFTRZMGW-UHFFFAOYSA-N 478.932 4.658 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2293987200 RKNXSRZNFGBGMM-UHFFFAOYSA-N 462.483 4.628 10 10 JJCE COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 2296930483 CCSZIMSVLBVOPO-UHFFFAOYSA-N 487.943 4.578 10 10 JJCE COc1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1Br 2297352263 HOHNEHSZFDCPAH-UHFFFAOYSA-N 469.213 4.504 10 10 JJCE CC1=NN(Cc2ccccc2F)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131505 APMFOPVNSQYROI-UHFFFAOYSA-N 468.120 4.858 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 683624 SFDLBOHVLJVWEZ-OQLLNIDSSA-N 482.842 4.970 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c(-c5ccccc5)c(C)nn4c3C)CC2)cc1 8598708 DICUPRWMTNCOLL-UHFFFAOYSA-N 483.616 4.612 10 10 JJCE O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 20177987 HDEKXLMZXVMBAS-UHFFFAOYSA-N 450.460 4.802 10 10 JJCE C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21637503 IAJZGPQVXYDAMU-GFCCVEGCSA-N 456.445 4.995 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NCc3ccccc3)nc12 33436313 UZUUDTBEBIYEOL-DEDYPNTBSA-N 488.594 4.609 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OC(=O)c1cccs1 33457254 BMKURPOEYNTTMJ-LFIBNONCSA-N 466.446 4.622 10 10 JJCE O=C1/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 39835702 DKMAZUAFYUZQQN-QGOAFFKASA-N 467.547 4.770 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)sc2c1 208742449 DXKHIBXNAHQMSK-LICLKQGHSA-N 455.586 4.535 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226737075 JGVGFGAKTDTCSJ-DPLHUUCSSA-N 453.564 4.986 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526568571 LZYFYCYSHRSLHS-XMMPIXPASA-N 474.513 4.758 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1)NC1CCCC1 586622245 STQQWOUUCHVYSZ-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(Cc4ccc(C)cc4)n3)CC2)cc1 1862311115 URZBXVPUKVNRHZ-UHFFFAOYSA-N 494.639 4.996 10 10 JJCE CCCCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1865921040 CMHUZSAKRMUUHH-LSYYVWMOSA-N 490.692 4.792 10 10 JJCE CCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870437843 HZVOWLWEOQLHQO-UHFFFAOYSA-N 482.024 4.822 10 10 JJCE CCCCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421952 YIXOILYSTLMGSK-UHFFFAOYSA-N 471.557 4.857 10 10 JJCE COc1ccc(NC(=O)Cc2ccccc2C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874017034 LWPYMVBGJALTCV-UHFFFAOYSA-N 490.515 4.904 10 10 JJCE CC(C)(C)OC(=O)N1CCC(F)(CNCc2cc(Cl)cc(Br)c2O)CC1 2098265405 HOFAMHXJRSQFQF-UHFFFAOYSA-N 451.764 4.637 10 10 JJCE Cc1cc(Br)sc1[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194940735 IXWWWLPVUJUFAA-INIZCTEOSA-N 454.434 4.980 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1C 2293299485 ZCLHILBDOCNFIU-UHFFFAOYSA-N 450.379 4.834 10 10 JJCE Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2297463095 DOPOYCIMFBVKKB-UHFFFAOYSA-N 463.331 4.798 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c1 2313609919 ONPKXJPGPSMRGR-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1 39875058 DXKHIBXNAHQMSK-YVLHZVERSA-N 455.586 4.535 10 10 JJCE O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O)Nc1ccc(F)cc1 54201722 CODOCYKNDZACRT-GMAHTHKFSA-N 488.544 4.709 10 10 JJCE CC1(c2ccccc2)OC(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)O1 58834386 YKKXMLIBMCUGFM-UHFFFAOYSA-N 484.483 4.775 10 10 JJCE O=C1NC(=S)S/C1=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 103352699 FJWZZJIYSGOXKN-VZUCSPMQSA-N 490.154 4.869 10 10 JJCE Nc1ccc(Oc2c(I)cc(Cl)cc2I)cc1 310272440 DRCXOYPCDHWKLA-UHFFFAOYSA-N 471.463 4.924 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526381488 KANUFHRJLXJPBG-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3ccccc3Br)C2=O)cc(OC)c1OC 1084158547 PACIDGLWYWQTAV-YVLHZVERSA-N 495.420 4.746 10 10 JJCE Cc1c(Br)ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c1C 1084443797 BDCRJOAVKOCQMZ-PDGQHHTCSA-N 465.303 4.992 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1OC 1858587951 JKPUBVCTGMKXAY-PBGVMVHZSA-N 473.572 4.607 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866240401 MLHBRVBYHLTMCU-LBPRGKRZSA-N 497.960 4.572 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873162484 XSTNFFRNOILOOI-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079006598 FEFSVBOVTVRVFQ-SFHVURJKSA-N 466.319 4.857 10 10 JJCE COc1ccc(CN2C(=O)NC(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 2296285279 BDBACVMQFUUHHQ-UHFFFAOYSA-N 451.482 4.506 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccccc3OC)N=C2c2ccc(OC)c(OC)c2)cc1 2297299308 XSCOZJNGEWSOQG-UHFFFAOYSA-N 458.514 4.946 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C 2297470714 YMHWZLXNZCTSBS-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 2313559047 PPJXUJLDVCYSSN-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC)C(=O)O 2314933719 XEQVZNCEJQGRRT-QGZVFWFLSA-N 457.573 4.960 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F 2332141131 JOBRSMSGINIARA-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 1265327 FKJXDZIGYFYLRF-LDADJPATSA-N 493.006 4.596 10 10 JJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990024 TYDOZZPSYKBXLI-NDENLUEZSA-N 472.680 4.532 10 10 JJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(O)c1 59198131 DUTVBIAOTLBYTP-BOPFTXTBSA-N 458.312 4.508 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 59859942 BOJVKRZNEXPKBV-BOPFTXTBSA-N 454.870 4.745 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1OC 206456778 XZIOKMRWEQLVCJ-XDHOZWIPSA-N 451.610 4.665 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 248031433 IFRSTIPVVUNLPO-DEOSSOPVSA-N 461.631 4.738 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCCC(C)C)[C@@H]3C2)cc1 248290047 RZOVCWUBYABFHV-UPVQGACJSA-N 475.555 4.744 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OCC)c2)[C@H]1c1ccc(O)c(O)c1 526527365 QLZWKPMGSNPGQA-XMMPIXPASA-N 475.497 4.730 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCOC(C)C)[C@H](C)C1 1722780527 KDMOJIYJFQEHHH-JOCHJYFZSA-N 492.668 4.615 10 10 JJCE COc1ccc(Cl)c(CC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1 1860854651 DLHUOFLASZMURV-UHFFFAOYSA-N 451.954 4.526 10 10 JJCE C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867856594 XBOWPPUFQMCTLW-LVXARBLLSA-N 478.681 4.512 10 10 JJCE CCN(CC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2Cl)n1 1867979528 QYWKWLWSZIDPHI-UHFFFAOYSA-N 452.002 4.978 10 10 JJCE NC(=O)COc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119366 DTGAHTPUYSVMRK-UHFFFAOYSA-N 488.975 4.770 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cccc(Br)c4)cc3)CC2)cc1 1872872204 KWKWAXBWKNLZLU-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873162245 MGCPMHVDBLJRFK-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423662 HFXIELJJTBRTBS-QGZVFWFLSA-N 471.557 4.871 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O 2296025060 BIICJVJGJUFPCW-UHFFFAOYSA-N 469.371 4.644 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2296715377 VUKBKCKBMCIYSW-INIZCTEOSA-N 464.616 4.615 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(C)nn(-c2ccc(Br)cc2)c1O 2297321583 MYHIZHOMEOUJCG-UHFFFAOYSA-N 451.324 4.763 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)cc1 2297333830 YNXBPUMFLCTXDM-UHFFFAOYSA-N 468.560 4.699 10 10 JJCE CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C 2297507901 OMZKSYWJFZEWLS-UHFFFAOYSA-N 477.742 4.851 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)sc2c1 2314563128 DZNCEKXNIKLTAN-UHFFFAOYSA-N 469.613 4.925 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3Cl)c2-c2ccc(F)cc2)cc1 11730805 XJNCQPZUTVYEMI-UHFFFAOYSA-N 463.321 4.795 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 20235164 OJIYYZSNTBOITN-DHPBROCDSA-N 491.573 4.522 10 10 JJCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCC4)o3)C2=O)ccc1Br 33304434 WJOYPQXPUVTLNR-VBKFSLOCSA-N 458.312 4.848 10 10 JJCE CCCCN(C)c1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33458870 ZFFIKJARLPLWMC-JPOGYNCRSA-N 480.659 4.764 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCC)nc3ccccn3c2=O)SC1=S 33498149 RGRSLFYIYQVWIW-VVZNPABPSA-N 458.653 4.934 10 10 JJCE CC(=O)c1c(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)ccc2c(C)cc(=O)oc12 40853703 JEINRRUOMCWHGR-UHFFFAOYSA-N 454.434 4.589 10 10 JJCE COc1cccc([C@@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1O 64567426 FUSOVMVFKTZNEJ-DEOSSOPVSA-N 497.345 4.981 10 10 JJCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(OC)cc1)c1ccccc1 65080271 JQHYNEQMYJOAEH-UHFFFAOYSA-N 455.514 4.947 10 10 JJCE N=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 102477071 AQPNIIPDWSNMPW-JEFAYZQISA-N 473.945 4.981 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 108472362 HZJHXCQUNIFPSJ-MRCUWXFGSA-N 451.617 4.725 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1533329864 SNKNEDYZPZWVDU-QGZVFWFLSA-N 456.489 4.873 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675033 LIQCQRNWKDAAJH-HYARGMPZSA-N 483.996 4.788 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1O 1952830582 XMULRUQUNZTWKX-OFNKIYASSA-N 474.469 4.697 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080053681 KCBADMVJHGJOMR-CQSZACIVSA-N 468.257 4.567 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NCc2cc(Cl)cc(Br)c2O)C1 2182453390 ULHXYVBLOWYVDL-RBUKOAKNSA-N 463.775 4.779 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 2297391205 XONWRYZKNVVAAV-UHFFFAOYSA-N 490.519 4.900 10 10 JJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F 2313541169 YOEJTAZXWNDHKA-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE C[C@H](N)Cc1cnc(Sc2cc(I)ccc2Br)s1 2316467618 DKCOLDYFCKRDFI-ZETCQYMHSA-N 455.184 4.551 10 10 JJCE Cc1ccc(CNc2ncc(Br)cc2Br)c(O)c1Br 2352625599 JJNLLXXIOPQQBD-UHFFFAOYSA-N 450.956 4.995 10 10 JJCE CC[C@@H](NCCC12CC(I)(C1)C2)c1cc(Br)ccc1O 2381624697 KNJWUBJMFARRGN-IUDNXUCKSA-N 450.158 4.943 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468498 QEFIMCBGTKFIDD-UZINWLIJSA-N 482.602 4.622 10 10 JJCE O=C(CN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nccs1 39793745 PZFQGBVUEBZQOX-ATVHPVEESA-N 459.618 4.695 10 10 JJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990372 XQVDHIPUGKQOJJ-ZHZULCJRSA-N 470.664 4.573 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 40567375 AUXHKCASQCGBTB-WPBJZHHJSA-N 498.991 4.916 10 10 JJCE COc1cccc(-c2cc3ccc(O)c(CN4CCN(c5ccc(F)cc5)CC4)c3oc2=O)c1 72238395 GUHVXNXTVLZPAJ-UHFFFAOYSA-N 460.505 4.636 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 97494934 DUIQVSZZBGMGBM-NUIIPWOLSA-N 451.552 4.531 10 10 JJCE O=C1NC(=O)c2cc(-c3ccc(/C=C4/C(=O)N(c5ccccc5)N=C4c4ccccc4)o3)ccc21 104872075 DYRUSRXIHUVXAG-XQNSMLJCSA-N 459.461 4.665 10 10 JJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)sc2c1 208739649 QSHJIIJEEWSXKH-GZTJUZNOSA-N 457.577 4.974 10 10 JJCE [N-]=[N+]=N[C@@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1 381051249 HEPLJHDCXLLGPB-UDLFFNGBSA-N 475.545 4.770 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)CC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526573265 YGJWAAHTHYWWKI-VWLOTQADSA-N 474.513 4.902 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1OC 526585501 BLQMIZUEEVKLTD-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1cccs1 1705605515 MXLKTZCRMBXOGU-SANMLTNESA-N 459.619 4.781 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](CC)c2ccc(C)cc2O)c1I 2079003559 BWPCALIOSKKWAB-OAHLLOKOSA-N 468.335 4.945 10 10 JJCE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079035928 NGFPLOHAZNTGNI-ZDUSSCGKSA-N 452.214 4.578 10 10 JJCE Oc1cccc(CNc2cc(Br)c(Br)c(Br)c2)c1O 2095450035 MIHKAIXPPNBFQC-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261206 JOGUUYXYYFXZRQ-NQIIRXRSSA-N 456.583 4.607 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](C2CC(NCc3cc(Cl)cc(Br)c3O)C2)C1 2280164849 MKGYTHUGJHNJFU-FUJMWEONSA-N 459.812 4.933 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl 2293020913 NXHSQRIFTFWKFQ-UHFFFAOYSA-N 484.382 4.867 10 10 JJCE CC1=NN2C(=N)C(=Cc3cn(CCOc4c(C)cccc4C)c4ccccc34)C(=O)N=C2S1 2297310357 FYTNNSTUSGWKTB-UHFFFAOYSA-N 457.559 4.976 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1OC(C)C 2314769565 RXNQHRFJTNNTNH-HXUWFJFHSA-N 457.573 4.900 10 10 JJCE COCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 6581317 FISUMEQSYODSPK-WOJGMQOQSA-N 494.978 4.683 10 10 JJCE COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 40940045 HLFWFRCNYHDIIK-OQLLNIDSSA-N 483.796 4.657 10 10 JJCE N#CCOc1ccc(Br)cc1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 108811165 FQRYVIFRRNFSDV-LICLKQGHSA-N 463.353 4.892 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(C)c1 207314697 RLCAXYVXYPEFBS-CPNJWEJPSA-N 494.598 4.592 10 10 JJCE Cc1ccccc1CSc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 209417553 QHRQROQFDLYVJC-GZTJUZNOSA-N 498.680 4.979 10 10 JJCE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cccc(N4CCOCC4)c3)c2)cc1 727372811 PWZTZXLKVJBNHN-UHFFFAOYSA-N 458.558 4.876 10 10 JJCE CCN(CC)c1ccc(/C=c2\sc3nc([C@@H](C)Oc4ccc(Cl)cc4Cl)nn3c2=O)cc1 1860794143 QYNWWZLRLLBGSC-FAPYRAKZSA-N 489.428 4.992 10 10 JJCE CCCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852302 IYTRMVVBGGRBJX-IZZNHLLZSA-N 482.644 4.524 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4c(C)cc(C)cc4C)cc3)CC2)cc1 1872723099 NZAMSWKOAFQGSS-UHFFFAOYSA-N 480.630 4.710 10 10 JJCE CN(C)c1ccc(-c2nc3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc3[nH]2)cc1 1872743439 VYSMLBOYCJFDBI-UHFFFAOYSA-N 453.590 4.690 10 10 JJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cccc(O)c2O)CC1 1951846449 YALHWDDVRQCMGU-AREMUKBSSA-N 459.498 4.511 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)c(O)c1 2079013993 UIFVVLYNENYESO-GOSISDBHSA-N 452.336 4.651 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079126499 YTHRJFROJGXSKB-SFHVURJKSA-N 468.335 4.630 10 10 JJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C(F)F 2079720081 GDOVVWRXEYUACA-UHFFFAOYSA-N 457.056 4.504 10 10 JJCE CCCN[C@@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163141754 XXAZPNPSJHRPLX-RSXGOPAZSA-N 466.670 4.745 10 10 JJCE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(C(=O)OC)=C1C 2294082169 LLEXDLCCGOWGOG-UHFFFAOYSA-N 463.361 4.720 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)c(OC)c1 1129978 BITPBCKFSYWSTA-NDENLUEZSA-N 479.533 4.922 10 10 JJCE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 2250842 SMMYYOUAJCBTHZ-AQRZYSDFSA-N 478.643 4.518 10 10 JJCE CN1/C(=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)Sc2cc(Cl)ccc21 3639799 OSBAGLRXUYZXTR-UHFFFAOYSA-O 454.018 4.661 10 10 JJCE CC1CCN(c2cc(N3CCN(c4ccccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 9642069 SJSPTSYYFAGWPW-UHFFFAOYSA-N 479.584 4.997 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N[C@@H]5CCC[C@H](C)[C@@H]5C)c(C)c34)CC2)cc1 10013150 DPGJJPPBJPHDTF-NPPFBWRTSA-N 493.677 4.889 10 10 JJCE O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 14805279 OGWIKTJFGOLXRV-QHCPKHFHSA-N 497.064 4.823 10 10 JJCE CCCCN1C(=O)/C(=C\Nc2ccc(Br)cc2)C(=O)N(CCc2ccccc2)C1=O 103840108 BCYYQTDMBLODMF-CAPFRKAQSA-N 470.367 4.579 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526368457 SNRXQPRKSURTSS-VWLOTQADSA-N 473.573 4.893 10 10 JJCE CC(=O)c1cc(F)cc(CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1O 1460864737 RBXFBBDFVLHPIM-UHFFFAOYSA-N 456.558 4.792 10 10 JJCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 1865675574 OSUNCBYFJXYETI-HEHNFIMWSA-N 478.593 4.704 10 10 JJCE C[C@@H](CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866695203 VKDXIORKNJJPLF-JKSUJKDBSA-N 474.944 4.752 10 10 JJCE Cc1ccccc1Cn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870790358 VIRYBVNPVIEHRC-UHFFFAOYSA-N 455.558 4.932 10 10 JJCE CCOCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168041 HIJZNEOPWMUQRA-QFIPXVFZSA-N 471.601 4.951 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1C 1873425825 GSMMFULKNOLPCB-UHFFFAOYSA-N 479.584 4.869 10 10 JJCE CN1CCc2cc([C@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106799982 CIWJZSVEYIHRKP-IGKIAQTJSA-N 452.595 4.556 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2CC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106858483 XHVKVFKQRZGMDC-ZCYQVOJMSA-N 453.627 4.830 10 10 JJCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 2294095340 QMCICPXPZONSNH-UHFFFAOYSA-N 498.926 4.600 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 2296682004 ZQVVEGPXOYZNGS-UHFFFAOYSA-N 452.576 4.637 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C 2297453061 RFJBNWFBLALGGQ-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(C(=O)N2CCOCC2)cc1 2297511536 GDZHUCKSAVEWGD-UHFFFAOYSA-N 493.778 4.838 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1 2313502138 UWDLMKADOVZDQU-UHFFFAOYSA-N 469.632 4.980 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 2313548655 BEPBAUMWFATEET-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE O=C1C(=Cc2ccc(F)c(Br)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 2318683876 KHRNBRDCYUHODS-UHFFFAOYSA-N 452.326 4.718 10 10 JJCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 2326944737 HVSHJLZLQRYHFC-UHFFFAOYSA-N 493.393 4.586 10 10 JJCE CCOC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)c1C 9153320 OMJVLPXQODSHKH-UHFFFAOYSA-N 459.590 4.850 10 10 JJCE CN(C)CCCNc1cc(NCc2ccc3c(c2)OCO3)c2noc3c2c1C(=O)c1ccccc1-3 20322479 FWUKLNGEDCGJCF-UHFFFAOYSA-N 470.529 4.744 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33474105 PVGNXHVWOZTOHJ-UYRXBGFRSA-N 482.631 4.990 10 10 JJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990214 UWNCCBKTBSTAHA-STZFKDTASA-N 496.658 4.813 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526468777 LDYUCLFOGVJIOC-NRFANRHFSA-N 451.862 4.595 10 10 JJCE O=C(c1ccccc1)c1ccc(O)c(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 728197123 RHVFFWUFCGZATD-DEOSSOPVSA-N 476.960 4.930 10 10 JJCE O=C1/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1cccc(C(F)(F)F)c1 1084399112 IHIYOCIBANPUFQ-QGOAFFKASA-N 467.513 4.873 10 10 JJCE CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2/C(=O)N(C)C(CO)=C2O)[C@@H]1/C=C/C=C/C[C@@H](C)O 1615671400 AWQOATNHYGPPIM-QUIJNMOHSA-N 457.611 4.551 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)CCC2 1857997449 CTFMBEMCKQAJPG-UHFFFAOYSA-N 455.511 4.599 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)sc(C)c1-c1ccc(F)cc1 1860747159 XGEJSFBWAORLMD-UHFFFAOYSA-N 485.493 4.833 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc1C2=O 1873912347 BRQSKOLZUXHYQZ-UHFFFAOYSA-N 499.519 4.862 10 10 JJCE CCOc1ccccc1N1C(=O)C(=Cc2cc(O)c(OC)cc2Br)SC1=S 2040483592 BDUIPPACMNYWQM-UHFFFAOYSA-N 466.378 4.968 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2294106428 QCYIDWCUHGPOOG-UHFFFAOYSA-N 498.322 4.766 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1F 2296709483 ZFCSINVKAJGYJK-UHFFFAOYSA-N 497.573 4.753 10 10 JJCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296717925 NIWDLKDUEOIFOW-IRXDYDNUSA-N 482.675 4.711 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297352762 TYSQKYLQRAJAGE-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE CN1C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)SC1=S 2297558971 UKXRYYKMVQLGTI-UHFFFAOYSA-N 467.353 4.701 10 10 JJCE O=C(O)CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 1889482 RLFYTKHCVIGYPF-LICLKQGHSA-N 478.935 4.503 10 10 JJCE COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1OC 2203125 MSDOFKRNWVZXQW-LFIBNONCSA-N 470.348 4.757 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC 27531722 SNOGQTSBZKKDLY-LDADJPATSA-N 465.980 4.646 10 10 JJCE CC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1 35549380 HRRPWRFZLFUPLR-UHFFFAOYSA-N 451.320 4.933 10 10 JJCE O=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O)Nc1ccccc1 54201713 LZWNSYDDUHGYDI-FYYLOGMGSA-N 470.554 4.570 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CNc3cccc(Br)c3)C2=O)cc(OC)c1OC 59382186 ITLALLARODHZHA-RQZCQDPDSA-N 495.420 4.746 10 10 JJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 72413288 IZGJEIHZKUIKNQ-RUZDIDTESA-N 489.547 4.860 10 10 JJCE COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 100276002 PQTJSHRHBTWIOF-KOEQRZSOSA-N 488.584 4.700 10 10 JJCE COc1ccc([C@@H](C)Nc2cc(I)cc(I)c2)c(O)c1 690331935 DCTLZHKTZKNEEG-SECBINFHSA-N 495.098 4.783 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2F)C[C@H](C)O1 727307616 QZVUVZMHGAWNAP-ROUUACIJSA-N 482.625 4.582 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1C 1084259733 OOROCIHHJLHZDM-GZTJUZNOSA-N 465.849 4.791 10 10 JJCE CCc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347345 KOJAPUCXBFDDHO-MUUNZHRXSA-N 464.569 4.989 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865677886 IOEGPGZGDRBUIM-LPYMAVHISA-N 457.486 4.756 10 10 JJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccc(C)c3)ncnc21 1875204752 CSZOXZKGVSFCNG-UHFFFAOYSA-N 498.631 4.733 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)ccc2O)C1 1952448600 MFAMTAGBLQSKBM-UPCLLVRISA-N 459.498 4.885 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079138128 GLRDFCQZRCSTOL-INIZCTEOSA-N 456.324 4.959 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)cc1C 2079998699 BSIJTJGVSPFQER-QGZVFWFLSA-N 480.346 4.949 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)C)c(C=O)c2I)C(C)(C)C)c(O)c1 2080000160 PZBNDKUQOGCVNA-QGZVFWFLSA-N 456.324 4.773 10 10 JJCE Oc1ccc(CNc2cc(Br)c(I)c(Br)c2)cc1O 2095445971 OKHLSQAONBJZSU-UHFFFAOYSA-N 498.940 4.840 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 2296425909 RWXDQNFIWCBIHO-UHFFFAOYSA-N 487.497 4.861 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2296583812 QLEVVZUGQKKVTD-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=S 2313653050 IRTCTMAWLFIIAZ-UHFFFAOYSA-N 451.773 4.759 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932986 QVQIVCKRAOSCSK-HNNXBMFYSA-N 486.615 4.799 10 10 JJCE C[C@@H]1C(=O)[C@H](C)[C@H](c2c(O)cccc2Br)N[C@@H]1c1c(O)cccc1Br 13512664 XEGCGRZCWIFNHZ-MOGXELDJSA-N 469.173 4.850 10 10 JJCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 14550774 QBSQICAKDRXVHQ-YZUZCNPQSA-N 453.564 4.986 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 15398856 SRJXOBJIIQQXMM-DEOSSOPVSA-N 487.453 4.902 10 10 JJCE CN(C)c1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 33255194 MIPGMILXJZXGIY-UHFFFAOYSA-N 468.557 4.583 10 10 JJCE CCCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 102855974 LXZZSANKBLZNSX-SAAWKEMMSA-N 467.827 4.509 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3ccccc3OCc3csc(C)n3)CC2)cc1 110358703 GXRPFTNVWAVVAQ-KPKJPENVSA-N 463.603 4.838 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 213174731 OIGWBGHWHRFNJA-JXAWBTAJSA-N 451.573 4.797 10 10 JJCE CC(C)c1sc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1-c1ccccc1 727249421 ZNJKZBUXRONCBW-UHFFFAOYSA-N 491.660 4.519 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1294859058 HDOZZHIVNJZHBM-LJQANCHMSA-N 454.954 4.626 10 10 JJCE COC(=O)c1c(NC(=O)c2cn3cc([N+](=O)[O-])ccc3n2)sc(C)c1-c1ccc(C)c(C)c1 1860403873 UIQXAHWYQZIPOV-UHFFFAOYSA-N 464.503 4.935 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(OC)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866074039 NAFNJISMLRFECC-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866544593 YJPXEUCBBOQHPZ-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162313 PNBVYUUIMWPLJH-GOSISDBHSA-N 459.565 4.944 10 10 JJCE CCCCC[C@H](CC)N1C(=O)C(NCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165248 KMRRBDIEXUXABF-QFIPXVFZSA-N 451.611 4.769 10 10 JJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCc1ccccc1)c1cc(Cl)cc(Br)c1O 1951972707 ZFDUSMWPYVPHSI-INIZCTEOSA-N 456.720 4.886 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)cc2O)C1 1952451946 DFUSMDCZMSMDQJ-GYCJOSAFSA-N 459.498 4.885 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc(Br)c1OC 2297559761 GJZJVPHNDRYXTH-UHFFFAOYSA-N 465.394 4.653 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nccs1 2314489452 PZFQGBVUEBZQOX-UHFFFAOYSA-N 459.618 4.695 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OCC 2323790324 PBFFSRBMMSBCOQ-UHFFFAOYSA-N 473.616 4.945 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127236 ATPMMSNLKGYSFV-UHFFFAOYSA-N 460.917 4.950 10 10 JJCE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 2250840 SMMYYOUAJCBTHZ-JPOGYNCRSA-N 478.643 4.518 10 10 JJCE CCOCCCNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 20857889 FEZBGHHBFGBTIT-UHFFFAOYSA-N 483.572 4.599 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 33296082 WLQQMFYMGLVBFP-MHWRWJLKSA-N 487.693 4.522 10 10 JJCE COc1ccccc1/C=C1/N=C(c2ccc(OC)c(OC)c2)N(c2ccc(OC)c(OC)c2)C1=O 34139250 GDJAKDJQFPLYQF-XSFVSMFZSA-N 474.513 4.564 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nccs1 34931674 HOYPZVHUPAJYNE-LDADJPATSA-N 483.596 4.575 10 10 JJCE CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 39919756 ALYKZYOMWAUTKC-HSZRJFAPSA-N 485.371 4.736 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1C 40937789 GKPMQGKFOBYXMY-MOSHPQCFSA-N 457.573 4.649 10 10 JJCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 47152387 ILHFASOTTXFVGB-FFCYNSPCSA-N 492.376 4.586 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526236000 IEYLRPKYLCFYSQ-XMMPIXPASA-N 463.486 4.571 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526343804 LUYADIVSFDVYOI-RUZDIDTESA-N 477.513 4.959 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526402815 CBUHJKVANUVJEO-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873426451 YRFVVCRSKQLGTN-UHFFFAOYSA-N 495.583 4.651 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079694555 RPXYAAYPAGIKJM-UHFFFAOYSA-N 450.242 4.874 10 10 JJCE CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1I 2079939517 PEASYKCPPGCWSC-QGZVFWFLSA-N 470.351 4.931 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](CC)c2cc(C)c(C)cc2O)c1I 2079979044 KIVPKINMWASWAZ-HNNXBMFYSA-N 468.335 4.864 10 10 JJCE CC[C@@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OCc2ccccc2)C1 2088174729 KZVLMNVLBIPAHN-JOCHJYFZSA-N 465.363 4.965 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C 2296808128 VUSDVINVPZQNBQ-UHFFFAOYSA-N 450.524 4.586 10 10 JJCE CC(=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCN(C)CC1 2297507842 YSYWMXHWPBILKI-UHFFFAOYSA-N 498.077 4.966 10 10 JJCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C1=O 2313562130 GPPQAUPELCVIMW-UHFFFAOYSA-N 491.931 4.675 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131312 GRKFPFCYLMAZQO-UHFFFAOYSA-N 494.183 4.966 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1805176 XCTMUWMKPHBVIO-GRRFOWRYSA-N 452.351 4.774 10 10 JJCE C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)C1=O 10913821 YEWYXSSHIYJZMX-VKGTZQKMSA-N 466.537 4.955 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 16401616 TZFHIVLBCZEYIP-QFIPXVFZSA-N 460.317 4.644 10 10 JJCE CC1(C)O[C@H]([C@H](COC(=O)c2ccccc2)N=[N+]=[N-])[C@@H]([C@H](COC(=O)c2ccccc2)N=[N+]=[N-])O1 35572477 ZERVHCOJGUJKQU-VNTMZGSJSA-N 480.481 4.578 10 10 JJCE Cc1ccc(C)c(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1 96462522 LCDJXKKIPPVPQL-QNPCYTEQSA-N 455.543 4.792 10 10 JJCE COc1ccccc1NS(=O)(=O)c1cc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1C 102918855 NFWIXARUZBBPJG-LTGZKZEYSA-N 476.558 4.523 10 10 JJCE Cc1oc2c(CN3CCC(C(=O)N[C@@H](C)C(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 110200387 KGJIAFKOZZFUEB-SFHVURJKSA-N 462.590 4.847 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 207317672 AKPNUFRSRGXNGN-XSFVSMFZSA-N 490.610 4.845 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 1858588388 CKKORIYBJHDGJI-RJEFECHMSA-N 472.676 4.960 10 10 JJCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014149 OFBITIZRIPPDMQ-QFIPXVFZSA-N 482.625 4.581 10 10 JJCE CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866114901 ZXLXHOGMDUELOD-UHFFFAOYSA-N 454.342 4.856 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CCCOc5ccccc5C)[nH]c4c3)CC2)cc1 1872798275 RSYHHRMUFIYOQC-UHFFFAOYSA-N 484.600 4.854 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079039167 AIBUESZDYGOCKQ-KRWDZBQOSA-N 453.368 4.647 10 10 JJCE Cc1ccc(OCCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 2296110179 GITBVHDZFFILAA-UHFFFAOYSA-N 477.948 4.894 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCc1nc(-c2ccccc2)cs1 2314913605 AVQPSPOOAUEWTO-UHFFFAOYSA-N 483.615 4.857 10 10 JJCE COCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612298 WFDAIBBQRPKUTL-UHFFFAOYSA-N 472.520 4.563 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 11591677 KVZNTNAIGCBVNZ-RUZDIDTESA-N 498.366 4.813 10 10 JJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 20356420 GMFBJGRCCXAIOT-GGOACEJESA-N 489.601 4.515 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(O)=NC2=S)cc1 33323887 GDLZAHPOARCLIC-HMAPJEAMSA-N 472.522 4.944 10 10 JJCE Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)ccc21 33628996 KDDYCXNDTDNSSP-PXNMLYILSA-N 494.823 4.699 10 10 JJCE CC(C)c1ccccc1OCCn1cccc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 34697257 RZTZBGGHDFXKPK-PPNFIQLJSA-N 475.496 4.872 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526328616 PSKWQRRYUBYICZ-VWLOTQADSA-N 490.556 4.844 10 10 JJCE C/C(=C/C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)c1cnccn1 1586926504 XUHOEWGUZNPGEP-QBOMHBFWSA-N 458.356 4.505 10 10 JJCE CC(C)Cc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344806 GXTUTGPJJCVDSA-UHFFFAOYSA-N 498.612 4.653 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccccc4Cl)CC3)cc2)c1 1860850012 FFZLUCXCKGLNDZ-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2)c1 1860915318 GGLLGKHGYVQUJO-UHFFFAOYSA-N 465.557 4.932 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862210093 ZJEQAZVSBGQRMW-ATIYNZHBSA-N 495.664 4.610 10 10 JJCE CCCOc1ccc(-c2csc(NC(=O)c3cc(O)c(O)c(O)c3)c2C(=O)OCC)cc1 1865876610 WBRZKFHJNITTQR-UHFFFAOYSA-N 457.504 4.750 10 10 JJCE CCOC(=O)c1c(NC(=O)C2(C(=O)OC)CC2)sc(C)c1-c1ccc(Br)cc1 1866184205 QOBLBRWDSMPIDV-UHFFFAOYSA-N 466.353 4.554 10 10 JJCE CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839170 MIZALMHLIGRWQO-XDHUDOTRSA-N 486.543 4.703 10 10 JJCE C[C@@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2ccccc2)n1 1868363742 XLOBOJLBZGWKAQ-GOSISDBHSA-N 476.536 4.888 10 10 JJCE CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870820948 WVXKOSQCMHQHOZ-UHFFFAOYSA-N 482.584 4.919 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(C3CCCC3)C2=O)cc1 1873420397 NHGRLLUIQNVAQR-UHFFFAOYSA-N 469.541 4.957 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)[C@@H](C)c4ccccc4)c3)CC2)cc1 1874737521 COBDSKHUXUCKHA-QFIPXVFZSA-N 472.585 4.799 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080002606 ZYKOHLRIYUOKAD-ZDUSSCGKSA-N 468.335 4.648 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C 2294093804 RCAWZUSJBOESMI-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2296538488 RTBNBLVOADFRGF-UHFFFAOYSA-N 479.627 4.742 10 10 JJCE COc1cc(C=C2SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc(OC)c1OC 2321618008 GGQMJOBXTLSUIU-UHFFFAOYSA-N 454.573 4.638 10 10 JJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 2321646770 LIVGISIOEWLBBV-UHFFFAOYSA-N 450.954 4.980 10 10 JJCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15048366 OLHBIFOCJHRSDY-JTMDUIFQSA-N 478.595 4.564 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989742 IRPKATQIJVBRMK-FASCHPMRSA-N 472.680 4.532 10 10 JJCE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990123 NCZKXPJCKYDELE-AVSKWLORSA-N 486.707 4.778 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C\c3c(C)nn(Cc4ccc(C)cc4)c3C)CC2)cc1 207253456 YILRMAUQQWSRCV-YPKPFQOOSA-N 458.606 4.664 10 10 JJCE Cc1nc(COc2ccccc2/C=C\C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 210873718 QEYPTIYURRGIPY-UZRURVBFSA-N 463.603 4.758 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 213180819 RQUNVOMHTKIHCH-UYRXBGFRSA-N 465.600 4.967 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 504214355 ONIYFPDUNXFTST-OSSDZZHWSA-N 498.966 4.911 10 10 JJCE biogenic COc1ccc(C)cc1S(=O)(=O)N(CC(C)C)c1cccc2c1C(=O)c1ccccc1C2=O 586247639 QYAOXPRKCAVBNF-UHFFFAOYSA-N 463.555 4.630 10 10 JJCE Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2cc(Cl)ccc12 1866292998 OTCAKDSHPHBUSW-QFIPXVFZSA-N 467.997 4.778 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873170013 KYAFYADKBGQXNK-UHFFFAOYSA-N 486.616 4.566 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425988 QLWZQUGUWOWRGL-UHFFFAOYSA-N 496.615 4.504 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccccc4Cl)cc3)CC2)cc1 1874740175 PLUCNOUJHAARSM-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2080038340 QQKRNXOLFGKRRM-SNVBAGLBSA-N 468.213 4.527 10 10 JJCE CN[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C 2106862541 VVLMBCKUWAYJKU-RPWUZVMVSA-N 453.627 4.830 10 10 JJCE COc1ccccc1OCCOc1ccc(Br)cc1C=C1SC(=S)N(C)C1=O 2293488659 HANQVEIXMRBNLC-UHFFFAOYSA-N 480.405 4.747 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 2294134058 QSQQLBXPLRFUSL-UHFFFAOYSA-N 470.525 4.948 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 2297349368 XWGGLRKPDFLOBR-UHFFFAOYSA-N 497.267 4.983 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 2297560456 WUTPSQBDOACIRO-UHFFFAOYSA-N 467.890 4.648 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC 2332139241 KZOIJKCANPCDND-UHFFFAOYSA-N 477.605 4.833 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)cc1 33424256 CDEATRVDNVXGST-OAHXEOETSA-N 470.510 4.709 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)n4nc(C(C)(C)C)cc4n3)CC2)cc1 34832538 CWGFKZABPHETAS-UHFFFAOYSA-N 499.615 4.673 10 10 JJCE COc1ccc(N2CCC(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 726627161 HCOLCQCFYMGGSY-HSZRJFAPSA-N 492.447 4.932 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 1084545808 AXETVIGHAVDDQB-PDGQHHTCSA-N 451.276 4.684 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858591494 PYQFBNPVEYYUKR-AAWPKVBNSA-N 452.326 4.615 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)cc2)c1 1860838042 LAGQNOAOWHUCSG-UHFFFAOYSA-N 457.509 4.797 10 10 JJCE CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866936488 KRJWLCFKPXQJGU-GPXNEJASSA-N 484.527 4.628 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCOC(C)C)C2=O)cc1 1873169704 FSUFZSPWWIIRHV-YADARESESA-N 463.622 4.767 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170042 MFKBQBWMGQPABX-NBGIEHNGSA-N 476.665 4.684 10 10 JJCE CCCN1C(=O)C(Nc2ccc(CC(=O)OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421725 NQPJUBAEDWEBBY-UHFFFAOYSA-N 485.584 4.802 10 10 JJCE COc1ccc(O)c([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952794391 PDFRDKBWGGVZJU-PXDATVDWSA-N 459.498 4.798 10 10 JJCE Cc1cc([C@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)sc1Br 2202302625 UGUYLTIAUQXGJH-INIZCTEOSA-N 454.434 4.980 10 10 JJCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 2296940842 WZNXEQJNSXBHPN-UHFFFAOYSA-N 471.944 4.878 10 10 JJCE Cc1c(N2C(=O)C(=CC3=Cc4ccccc4O[C@H]3C)SC2=S)c(=O)n(-c2ccccc2)n1C 2314433890 WMAUWFCQZSLYHJ-INIZCTEOSA-N 475.595 4.598 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C)C(=O)O)C3=O)o2)c(Br)c1 2314650581 POOLOJHEMPHRDW-JTQLQIEISA-N 452.351 4.692 10 10 JJCE CCc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](CC)C(=O)O)c(OC)c2)SC1=S 2314932984 QVLUPHTZIMDOOK-KRWDZBQOSA-N 457.573 4.905 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934648 JHMJLYJLZBDTST-KRWDZBQOSA-N 457.573 4.729 10 10 JJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2cccc(C(=O)OC(C)C)c2)C1=O 2321720021 HQTFGLBPJJKXSQ-UHFFFAOYSA-N 457.602 4.984 10 10 JJCE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330499949 AXMARBZYWTVMNI-INIZCTEOSA-N 472.928 4.662 10 10 JJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2341196784 NSJDWQFKAAJMHG-HHHXNRCGSA-N 486.568 4.546 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 1053621 HECFYDYZBKXMSY-MHRHTVJOSA-N 454.954 4.599 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 16694245 OAFMXHUAGSTPNU-QNGOZBTKSA-N 496.976 4.868 10 10 JJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989887 NLBRROQAUKIXNF-QNGOZBTKSA-N 484.691 4.963 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C\c3ccc(OCc4csc(C)n4)cc3)CC2)cc1 207248492 QZKYPOWQPHWJRU-XGICHPGQSA-N 463.603 4.838 10 10 JJCE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(C)C)C1 1301678638 PVIHKVBSCYMGQO-HSZRJFAPSA-N 462.642 4.703 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCCc2ccccc21 1860344912 HFNSFNDACQWSLQ-UHFFFAOYSA-N 460.537 4.554 10 10 JJCE Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2=O)c1 1861849228 MBVVKTJKKLFUIC-UHFFFAOYSA-N 462.505 4.541 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164054 JZNWBQOZOFFNHC-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE Cc1c(CN=[N+]=[N-])cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1I 1887519907 LXVRSZJQGAOFPU-UHFFFAOYSA-N 471.343 4.775 10 10 JJCE CC(C)(C)OC(=O)NCC1(NCc2c(O)cccc2Cl)CCN(Cc2ccccc2)CC1 2067210671 WFGKVOUKLSRXOI-UHFFFAOYSA-N 460.018 4.695 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(NCc3ccco3)nc12 2296710661 OBLUKYXGOJYHII-UHFFFAOYSA-N 480.615 4.742 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC(C)=O)c(OC)c3)SC2=S)cc1Cl 2297366801 VVGHBRVUCJWJKG-UHFFFAOYSA-N 479.963 4.697 10 10 JJCE CSc1nnc(-c2ccccc2NC=C2C(=O)N(c3ccc4ccccc4c3)N=C2C)c(O)n1 2297460569 OZFBMXRUMUTYOE-UHFFFAOYSA-N 468.542 4.838 10 10 JJCE COc1ccc(C2=CC(=C3SC(NC(=O)c4ccccc4)=NC3=O)c3ccccc3O2)cc1 2297512116 BPURMLCEEJAGAS-UHFFFAOYSA-N 454.507 4.899 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 2314506210 BRQJZTSGXVJDBW-UHFFFAOYSA-N 457.964 4.670 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934031 FUWSVVGKVVBTRJ-HUUCEWRRSA-N 457.573 4.900 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2701008 VBIFQJHZJCMSRD-ATDKOCKZSA-N 452.897 4.573 10 10 JJCE CCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 40940461 FRTYISGVQUYERS-SFQUDFHCSA-N 477.405 4.784 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N2O1 102466371 HUVMYYVFSMWVQM-LEJACGOASA-N 456.271 4.618 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C(/Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 103638668 WSPAZTWHTDDRER-SHHOIMCASA-N 463.541 4.730 10 10 JJCE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(N=Nc2ccccc2)cc1)C(=O)O 255973627 GDWCICAVNWGMDQ-VXKWHMMOSA-N 466.538 4.819 10 10 JJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C(=O)NC1=S 1084594897 CBROVBBHDRLJGU-HAHDFKILSA-N 475.570 4.542 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 1858588387 CKKORIYBJHDGJI-HRONDEIHSA-N 472.676 4.960 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)sc(C)c1-c1ccc(F)cc1 1860747129 VYRPLTBKWOEOSI-UHFFFAOYSA-N 469.538 4.683 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccccc1 1860760272 YNJRDXUXLAERNA-XIVBQZFQSA-N 454.592 4.780 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2cc(Br)cc(Br)c2O)C1=O 1865672580 GRKFPFCYLMAZQO-MHWRWJLKSA-N 494.183 4.966 10 10 JJCE COc1ccc(N2N=C(C)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1 1865672857 NYRVDVHYIXUPGG-OVCLIPMQSA-N 466.129 4.732 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)cc2)cc1 1865883828 JPPHMLGCYRENAB-UHFFFAOYSA-N 464.481 4.505 10 10 JJCE O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1865901714 DHOLZDGYULZLPH-UHFFFAOYSA-N 469.280 4.740 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ccc(C(F)(F)F)cc3c2=O)N2CCCCC2)cc1 1866470914 ZYMJNLJKKWNGDD-QHCPKHFHSA-N 486.538 4.570 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080012641 RSNKOFQZDYUNPM-GOSISDBHSA-N 496.345 4.646 10 10 JJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc(F)c2)o1 2294253353 DXXVEKVHJJNPEX-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2296812430 HVHAFOFNWIMEKV-UHFFFAOYSA-N 477.991 4.994 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O 2297357575 FREATLCQFIGACA-UHFFFAOYSA-N 470.355 4.871 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 2297561192 QFYSDDUODQLJHE-UHFFFAOYSA-N 462.483 4.628 10 10 JJCE C[C@H](c1ccccc1O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302685459 OVFGVOXSNGWFDQ-GOSISDBHSA-N 456.542 4.983 10 10 JJCE CCCCOC(=O)CN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740825 OILPMTWDGZPPHB-UHFFFAOYSA-N 485.627 4.861 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 2314827410 DKLONDCUUCGPCE-UHFFFAOYSA-N 467.597 4.562 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 2314827595 IEOCSBZRDCLXDU-UHFFFAOYSA-N 466.506 4.944 10 10 JJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2cc(Br)c(OC(C)C)c(OC)c2)cc1 2332127231 ARNZJKIDVXRUPS-UHFFFAOYSA-N 459.340 4.513 10 10 JJCE CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nnc12 9395617 ARTVUWHDMZNYSM-UHFFFAOYSA-N 471.586 4.837 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O 14459504 GAXQHAXTKGFLAM-AXHZCLLHSA-N 454.592 4.838 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCCC(=O)O 16911946 YBDIMNFXDKADGC-LICLKQGHSA-N 494.388 4.717 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 20706043 QZCJTAFRBCZBHC-KNESASJNSA-N 453.926 4.984 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 33470107 VUKBKCKBMCIYSW-CXDFQFJYSA-N 464.616 4.615 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C(O)=NC1=S 33498313 UXTXMLWBDGDEKF-ATVHPVEESA-N 465.918 4.809 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33723717 SSFWJMKOIOKNBW-IDVJQDGXSA-N 456.637 4.685 10 10 JJCE CCOc1c(Cl)cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 107980753 GZYXERZNYWCDRM-DAXSKMNVSA-N 498.929 4.932 10 10 JJCE O=C(NCc1ccc(COCc2ccccc2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918211157 DSWNLAJVSKQKCN-UHFFFAOYSA-N 477.580 4.503 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc([C@H]4CC4(Cl)Cl)cc3)CC2)cc1 1860290282 MZBVXDALPIEEEK-OAQYLSRUSA-N 463.405 4.863 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)sc(C)c1-c1ccccc1 1860747801 WMYJUJJFODDKEU-UHFFFAOYSA-N 475.570 4.679 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)sc(C)c1-c1ccc(C)cc1 1860748916 NVTXWWXVEHKAPA-UHFFFAOYSA-N 467.503 4.612 10 10 JJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O 1865767136 KIPYKUPMOPHDRH-IBGZPJMESA-N 466.537 4.578 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873170547 FAZCXKPDBOZOIX-JOCHJYFZSA-N 482.628 4.619 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079015022 MRWFJJKJNMKMMH-GOSISDBHSA-N 454.352 4.897 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079864990 ZKKZPSPPBCIHPL-HNNXBMFYSA-N 477.277 4.945 10 10 JJCE CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 2297732990 XJLYXWQPHXKRIW-UHFFFAOYSA-N 469.585 4.887 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 3652105 KMOLUPPZQBJSES-BCVDLATCSA-N 484.980 4.608 10 10 JJCE O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33516540 PFJDWSGOFINCEI-HKWRFOASSA-N 476.627 4.841 10 10 JJCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989999 ZVGIVEIZLKKYSY-ZHZULCJRSA-N 470.664 4.573 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)cc1 58321388 FUPRGZZOBCATDB-MHZLTWQESA-N 455.514 4.799 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475586 ZETIJNYGVITOPD-WOJGMQOQSA-N 465.393 4.899 10 10 JJCE Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)cc1 103514375 KDNFSZXZMDZALP-LSZLNTRYSA-N 456.483 4.621 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526329643 WKUXVHRSBXDJRL-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 1084104278 DNMVGBWWMZLAEC-UYRXBGFRSA-N 461.499 4.557 10 10 JJCE O=C(CCNCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860711397 SWVWJEHFRHWGQW-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873550687 LJGSOIGJZLWWIF-UHFFFAOYSA-N 492.668 4.685 10 10 JJCE O=C(N[C@H]1C(F)(F)C12CC(NCc1cc(Cl)cc(Cl)c1O)C2)OCc1ccccc1 2207141291 ZOYYDSHOXVLPGZ-RVSXGSNBSA-N 457.304 4.881 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4cccc5ccccc45)C(=O)N=C3S2)cc1OC 2296400181 BGZJUBPZRKICHI-UHFFFAOYSA-N 456.527 4.719 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 2296881397 FKJXDZIGYFYLRF-UHFFFAOYSA-N 493.006 4.596 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1-c1ccccc1 2313682826 LMZIVPILWLPFAS-UHFFFAOYSA-N 470.485 4.914 10 10 JJCE Cc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314827507 GOPDRPOASYEYDP-UHFFFAOYSA-N 477.405 4.693 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2202985 NZCAHWYENQNORT-GZTJUZNOSA-N 453.614 4.764 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CCCCC3)CC2)cc1 9228406 MVSGOPGDHNUVBR-UHFFFAOYSA-N 461.562 4.923 10 10 JJCE COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 13110867 KRPZAWZPWQRPPA-RSPUHVBCSA-N 463.559 4.937 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 65023587 YBNGOEYHMCLIGE-QFIPXVFZSA-N 461.585 4.662 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@@H]2C(N)=O)c(C)n1-c1cccc(Br)c1 110827439 JAORCFDVDBGRKW-HSZRJFAPSA-N 495.421 4.559 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526149586 XUPMBSMWVXEOCC-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE C[C@@H]1Oc2ccc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc2NC1=O 913099072 GMLGKEMRQHRPNB-BTYIYWSLSA-N 455.474 4.565 10 10 JJCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 1318620310 BCZRMNFCWSVWKY-HXUWFJFHSA-N 472.994 4.953 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865678077 RXWZRPSVGAGBGU-GZTJUZNOSA-N 481.867 4.932 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(N(C)C)ccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866503500 DKLXMEHJNYHNLJ-UHFFFAOYSA-N 475.570 4.978 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(C(C)C)C2=O)cc1 1873162203 KEMVDQOSKMTDPX-UHFFFAOYSA-N 496.655 4.837 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 1952728850 QMCQXIQZGXFZTM-XCNDVJPKSA-N 473.525 4.658 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080038984 USMUNPHULKSPAO-QGZVFWFLSA-N 498.361 4.676 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccc4c(c3)OCO4)=NN12 2296400372 XVZYBKKZHAVMJT-UHFFFAOYSA-N 482.521 4.662 10 10 JJCE Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1Cl 2297297820 NQYZSEQVRUQNIZ-UHFFFAOYSA-N 464.905 4.935 10 10 JJCE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2297469935 HHXGVXLVTGKIII-UHFFFAOYSA-N 459.531 4.672 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13640939 CKVUOQPROUORLE-IECBHUPTSA-N 472.607 4.569 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640965 BDCYMZFXXWALNS-BSRJHKFKSA-N 472.607 4.616 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 15035720 DUQFPQLSIREEBW-MFOYZWKCSA-N 482.505 4.650 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O 16911949 KBRQISBHHPUXOF-GZTJUZNOSA-N 494.388 4.717 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3cc(Cl)c(OC(C)C)c(OC)c3)CC2)cc1 110356158 LCHMJBKZEJAJDB-BJMVGYQFSA-N 458.986 4.943 10 10 JJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014578 YRMYEJUTMHCBGV-HSZRJFAPSA-N 496.652 4.827 10 10 JJCE CCCC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640507 YORYBGBUXNHCGX-HXUWFJFHSA-N 497.507 4.637 10 10 JJCE O=C(O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 2293001779 JSKHEDTZDNOCMX-UHFFFAOYSA-N 471.347 4.902 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC 2294216933 QQVCOEKABMSSSK-UHFFFAOYSA-N 458.967 4.586 10 10 JJCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2296559472 ABSNMGWRYXZXCF-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccs3)S2)CC1 2296713560 JTEWPYYXONZCFG-UHFFFAOYSA-N 492.626 4.846 10 10 JJCE COc1cc(C=C2SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc(OC)c1OC 2297318230 KWXVEEYRIGDXCC-UHFFFAOYSA-N 452.576 4.637 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 2313538471 JXLJOMYDMHLOIR-UHFFFAOYSA-N 483.592 4.869 10 10 JJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 2314414836 NYQORQMOQRNYBW-INIZCTEOSA-N 458.653 4.852 10 10 JJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817637 BZZCKIUIJSIFHK-UHFFFAOYSA-N 492.626 4.513 10 10 JJCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1 2314931820 RCSTXQGEIYXEAQ-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1OC 2318683845 JKPUBVCTGMKXAY-KRWDZBQOSA-N 473.572 4.607 10 10 JJCE CCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 39983456 BHJCOYDHTAIBJM-XDHOZWIPSA-N 464.616 4.535 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC[C@H](C)C2)SC1=S 39990055 UIFRPPHGCHSQDB-SMEDBKPVSA-N 472.680 4.676 10 10 JJCE CCCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)O1 59336801 OASDEYPSPAYNDY-UHFFFAOYSA-N 468.502 4.783 10 10 JJCE O=C(O)CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 210438059 XPFYISMTAYZMID-YBEGLDIGSA-N 453.463 4.965 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 1083994715 PPJXUJLDVCYSSN-MOSHPQCFSA-N 450.853 4.725 10 10 JJCE Cc1ccc(-n2nc(C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)c(=O)cc2C)cc1Cl 1866288134 JWBWZVLJGBSXBF-UHFFFAOYSA-N 458.949 4.928 10 10 JJCE C[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867173038 AWEWRDNCXVNYIF-HZPDHXFCSA-N 474.944 4.752 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc5ccccc5c4)C3)cccc21 1871278953 DBYPRIGYWPEPSJ-LJQANCHMSA-N 460.489 4.607 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873164745 QACKPBDQQMXESU-UHFFFAOYSA-N 457.574 4.643 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873168735 HTKCZQYTTASIEH-UHFFFAOYSA-N 483.616 4.620 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(Cl)cc(Br)c2O)C1 1952539568 WBHOKCHVOUOCBW-GUYCJALGSA-N 468.731 4.983 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2079006603 FFMOZSULSKHSHF-SFHVURJKSA-N 450.320 4.971 10 10 JJCE CN[C@H](c1ccc2c(c1)CCCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284087548 ARKFACPSFFYTIT-RUZDIDTESA-N 465.638 4.783 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2296756198 KPQNYYOFUSPRNY-UHFFFAOYSA-N 477.951 4.574 10 10 JJCE COc1cccc(OCCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)c1 2297347289 NCDCTCHQXHVGFZ-UHFFFAOYSA-N 465.980 4.694 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468580 ZOSIDVZGPCGOHL-UHFFFAOYSA-N 487.928 4.622 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1O 2314397496 RXIUJZPYOWBRJB-UHFFFAOYSA-N 492.578 4.824 10 10 JJCE 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CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3c3cccc(Cl)c3)cc2)CC1 1616251890 LNXYQXPFVANNCR-LOSJGSFVSA-N 454.014 4.599 10 10 JJCE Brc1ccccc1-c1nnc(N2CCSCC2)n1CCCSc1nccs1 1722274110 BVTLTHVKPLRCFR-UHFFFAOYSA-N 482.498 4.900 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cccc(Br)c4)n4ccccc34)CC2)cc1 1858332160 SJXALYIFNKCKIR-UHFFFAOYSA-N 491.389 4.735 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862355210 MISSYCCDAAQHLQ-UHFFFAOYSA-N 468.557 4.519 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873167618 PRNNHQXTYVEITP-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873419820 DBDNWKUCUPKTHQ-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE COc1ccc([C@@H](C)NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873937396 LZUYUPBFAHKKMK-XBBWARJSSA-N 494.595 4.674 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079035866 MGTMTMLSRIGISQ-AWEZNQCLSA-N 494.251 4.697 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)cc1C 2080003308 LICCLAVSYCSHNX-GOSISDBHSA-N 465.379 4.710 10 10 JJCE CN(C)c1ccc([C@@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2106857001 GTGQWWORMQCQQJ-DEOSSOPVSA-N 452.643 4.702 10 10 JJCE CC(C)(C)OC(=O)N1CCC([C@H](F)CNCc2cc(Cl)cc(Br)c2O)CC1 2163265084 VMRXYROJXYAGRU-MRXNPFEDSA-N 465.791 4.883 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 2293990208 GXPBNKRWYJKLJA-UHFFFAOYSA-N 490.541 4.986 10 10 JJCE CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 2294199233 HDEHUPZQRFLIMX-UHFFFAOYSA-N 461.562 4.935 10 10 JJCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C1 2296706718 LNIIMAPVYXMTKD-ROUUACIJSA-N 490.654 4.578 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1 2297302672 RSCYFZHQYUBNEC-UHFFFAOYSA-N 450.379 4.916 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)SC1=S 2297365195 XZNYVRRDQPKNPI-UHFFFAOYSA-N 458.742 4.648 10 10 JJCE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 2297470378 IUAFNNQAMZVURE-UHFFFAOYSA-N 465.579 4.777 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 2313571333 SSWTYRNXHZVKGV-UHFFFAOYSA-N 456.498 4.557 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2314414885 PVGNXHVWOZTOHJ-UHFFFAOYSA-N 482.631 4.990 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1C 2314488331 WKTPPUSCLOLYAN-UHFFFAOYSA-N 477.405 4.572 10 10 JJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O 2314932695 OLGUFIVIGADCPU-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE COc1ccc(C=C(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1 2325336242 WNGXEUYIHVZNKW-HHHXNRCGSA-N 466.585 4.941 10 10 JJCE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 1307747 PKPXQJRFNGCHHN-FMQUCBEESA-N 486.018 4.553 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33438285 UEWQZQDACCPRBP-KNTRCKAVSA-N 470.664 4.712 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33723711 CREJOTXQWFIQJB-PWDRBQJJSA-N 456.637 4.747 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 39835802 WYMHIKXBOARAJX-HMMYKYKNSA-N 495.626 4.731 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)ccc4Cl)c3[N+](=O)[O-])CC2)cc1 40611182 KHYJXRGKFFAGJY-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 49593240 ZRKCGDXFQOGYBZ-WEBHAMHFSA-N 463.515 4.560 10 10 JJCE COc1ccc(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)c(C(=O)O)c3)CC2)cc1 64589400 WWIIGHYBXCNZTB-UHFFFAOYSA-N 465.937 4.626 10 10 JJCE Cc1cc(/C=C\C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccccc1 96925253 IFUFJMFZTIEFPE-FLIBITNWSA-N 471.557 4.713 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N(C)Cc4ccco4)[C@@H]3C2)cc1 248153334 YJRKSNHVRWXLPG-ZCYQVOJMSA-N 499.533 4.833 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526235999 IEYLRPKYLCFYSQ-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1O 1646085262 NXKSBMAOIJJPJL-RBBKRZOGSA-N 460.521 4.756 10 10 JJCE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1858688061 UJYZKMFMTOHHRU-GFCCVEGCSA-N 461.305 4.988 10 10 JJCE Cc1ccc(-c2csc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1C 1860743704 SLDFWYHJCYFOGN-UHFFFAOYSA-N 481.533 4.780 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCC(=O)N(CC)CC 1865674989 JBHQYRHIXIYYGE-FYJGNVAPSA-N 469.969 4.792 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866457580 GBCPDDHBDCNASQ-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE CCCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867823884 FZTWIIQXEINJQC-SXOMAYOGSA-N 478.681 4.693 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421312 QTEQDSZJBHOWBY-UHFFFAOYSA-N 477.008 4.891 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 2053508677 FCFQEKUGYQSJEK-AWEZNQCLSA-N 478.573 4.571 10 10 JJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053512894 CCOBDWHEZJQITP-CQSZACIVSA-N 466.924 4.963 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2080047616 HFPAHLSAKNDIEX-MRXNPFEDSA-N 490.288 4.924 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)cc1 2313548649 AZJYARAZZWLOHW-UHFFFAOYSA-N 481.302 4.693 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OCC 2313548795 FZNNEOHRDMHNKW-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 2313549102 NHJDVPPRWWSFAC-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE COc1ccc2c(c1)c(C=C1SC(=S)N(CCc3ccc(OC)c(OC)c3)C1=O)cn2C 2323790516 NGZNCAYJZXEGOA-UHFFFAOYSA-N 468.600 4.648 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)ccc1OCc1ccccc1 2323808674 KOWPWPVNNIYKLX-QGZVFWFLSA-N 489.640 4.682 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@@H]3C)SC2=S)cc1OC 33514444 WWCVWVSPNSIUAG-QQHUYRGFSA-N 483.611 4.864 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCC2)SC1=S 33811874 PARVKOQFTRLOAE-IZQLPPHKSA-N 472.680 4.583 10 10 JJCE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1F 39793842 FISOGQCCYHGMBF-MTJSOVHGSA-N 498.557 4.846 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C1=O 102444625 NCJINUUZXABJJI-WNSCPLKPSA-N 468.538 4.824 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(-c2ccsc2)n1 107981522 MVZHICTVSSZCOC-UHFFFAOYSA-N 453.511 4.657 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 210696380 RMKGZIHEMOTHMS-MHWRWJLKSA-N 481.477 4.844 10 10 JJCE C[C@@H]1Oc2ccc(C(=O)CSc3ncc(-c4ccccc4)n3CC(F)(F)F)cc2NC1=O 727977440 ZANZOMMWNOYZKU-ZDUSSCGKSA-N 461.465 4.807 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 1083920972 CAPXDBQFLZGETR-XDHOZWIPSA-N 465.849 4.737 10 10 JJCE CCCCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860345035 PHDOFZXDJRXGHK-UHFFFAOYSA-N 498.612 4.797 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C3CCC3)CC2)sc(C)c1-c1ccccc1 1860630433 MVSHVNUFFFYCFN-UHFFFAOYSA-N 454.592 4.877 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C3CCC3)C2)sc(C)c1-c1ccccc1 1860661793 QUAHOSZUGRGOGX-IBGZPJMESA-N 454.592 4.877 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(-c4ccc(C)cc4)n3)CC2)cc1 1862366610 PQZNFKYRCVLBCT-UHFFFAOYSA-N 496.567 4.547 10 10 JJCE O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl 1865678001 OEFSUFOZUZGRCU-WJDWOHSUSA-N 451.841 4.923 10 10 JJCE CCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867405027 RRWUPYNMWCGSRW-DQEYMECFSA-N 485.072 4.648 10 10 JJCE CCCCCCOC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870840584 IMVNNBTUDOCVAW-UHFFFAOYSA-N 493.604 4.699 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164448 BZVPUOAYAVTZHP-UHFFFAOYSA-N 469.516 4.896 10 10 JJCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426409 WTZPHWGIGMBXAA-UHFFFAOYSA-N 479.584 4.814 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(N=[N+]=[N-])CC2)cc1I 2124513158 AVFLCEYHWLHZID-UHFFFAOYSA-N 471.299 4.553 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2293176034 UQKVIRJKRJTVNQ-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2293476752 HAGZJDMEJYFDND-UHFFFAOYSA-N 499.936 4.865 10 10 JJCE COc1cc(C=C2SC(N3CCOCC3)=NC2=O)ccc1OCc1cccc2ccccc12 2296684271 VGKMARAWESXTNU-UHFFFAOYSA-N 460.555 4.730 10 10 JJCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297512162 AFAGTWTZANKSKE-UHFFFAOYSA-N 474.586 4.500 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 2297576904 SXULAVWNXBRXAO-UHFFFAOYSA-N 454.360 4.940 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccccc2C)C1=O 2314768449 IFAZWYSOCQDREN-UHFFFAOYSA-N 477.405 4.702 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15034884 BWRQNTJEALJGAW-GEBKJHSDSA-N 451.525 4.512 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1OC 15045211 MRWCPQVUBRPCBO-JWGURIENSA-N 484.643 4.782 10 10 JJCE N=C1/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(c3ccco3)=NN12 20210683 WVOUKVUPJDFSFH-WQCWKDQBSA-N 466.320 4.500 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33475546 LREAWYVCPWIHQQ-XDJHFCHBSA-N 488.679 4.623 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39835915 YALSVNZINIDOJQ-HMMYKYKNSA-N 495.626 4.731 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 213147559 VCUKVGCCYIRINX-JXAWBTAJSA-N 451.573 4.660 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213178773 YALSVNZINIDOJQ-HKWRFOASSA-N 495.626 4.731 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526377160 OEKAKIMBAUDSPT-RUZDIDTESA-N 493.512 4.580 10 10 JJCE O=C(O)CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858588458 GUBXPIRNJQGHOV-YBFXNURJSA-N 472.975 4.660 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873424637 GQNJQNQLLUWMER-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccccc4Cl)c3)CC2)cc1 1874721581 XXBDWFVEHAENKQ-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE CC(C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2053513665 SZFCQBDGJGFGEX-MRXNPFEDSA-N 466.924 4.819 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079006837 IXWRMEUSZKKDIT-LJQANCHMSA-N 480.346 4.945 10 10 JJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C(F)F 2079717898 JGZUIQADYBMBIU-UHFFFAOYSA-N 457.056 4.504 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080043221 RDAPFOVMIWCIIR-AWEZNQCLSA-N 496.267 4.861 10 10 JJCE Cc1ccc(C(=O)NC(=Cc2ccc(N(C)C)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 2296047994 ADVQNDUWPRHLHW-UHFFFAOYSA-N 466.585 4.672 10 10 JJCE C[C@@H](Oc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 2297467958 GVRBVSBMIHAPDG-MRXNPFEDSA-N 453.527 4.889 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 2314764433 CDLUMLWKKUIQDZ-UHFFFAOYSA-N 456.589 4.810 10 10 JJCE O=C1/C(=C/c2ccccc2)SC(=S)N1CCN1C(=O)/C(=C\c2ccccc2)SC1=S 3158650 UHVIESKMVMDAOA-SIJTWYJSSA-N 468.650 4.789 10 10 JJCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14471707 JGVGFGAKTDTCSJ-YZUZCNPQSA-N 453.564 4.986 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14472801 ZUIOAQHCRKHKDE-HOIFWPIMSA-N 459.955 4.859 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)NCc2ccccc2)C1=O 15045251 WOVHFKRMTWJJOM-PGMHBOJBSA-N 454.617 4.773 10 10 JJCE Cc1cc(NS(=O)(=O)c2cccc3nsnc23)cc2sc(NC(=O)c3ccccc3)nc12 15863384 BXMAWXMPJVUHAQ-UHFFFAOYSA-N 481.584 4.663 10 10 JJCE Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 40570628 VDEJPQBWKCFAPG-MOSHPQCFSA-N 460.584 4.680 10 10 JJCE O=C1c2c(O)cc(Oc3ccccc3)c(O)c2C(=O)c2c(O)cc(Oc3ccccc3)c(O)c21 207219068 CYTWOJYZCGVGFW-UHFFFAOYSA-N 456.406 4.869 10 10 JJCE Cc1cccc(CSc2nnc(NC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)s2)c1 209418286 GEMIOXLKISXVGN-GZTJUZNOSA-N 498.680 4.979 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526326950 CQHJWOWUGFVZFC-AREMUKBSSA-N 490.556 4.844 10 10 JJCE CN(Cc1ccccc1)C1(CNCc2cc(Cl)cc(Br)c2O)CCOCC1 1308513627 PMLMHJCAYRRSEA-UHFFFAOYSA-N 453.808 4.579 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cc(F)ccc3F)C2=O)cc(Br)c1O 1860087314 OOFJPSOFGFILFE-MKMNVTDBSA-N 458.305 4.847 10 10 JJCE COC(=O)c1c(NC(=O)c2csc3ncn(C)c(=O)c23)sc(C)c1-c1ccc(C)c(C)c1 1860401955 KTZCEANVQRIRGS-UHFFFAOYSA-N 467.572 4.688 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1860759173 XASJFNZNLXXUHT-NSHDSACASA-N 467.385 4.516 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(Cc4ccccc4)n3)CC2)cc1 1862355493 SPLRXFHDWJFTJI-UHFFFAOYSA-N 452.558 4.569 10 10 JJCE Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c(=O)cc1C 1866285614 BTKFJEHMAIAECU-UHFFFAOYSA-N 458.949 4.928 10 10 JJCE CCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870626535 BCVSNEGRSRMZSA-UHFFFAOYSA-N 475.633 4.867 10 10 JJCE CCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871526410 STWWOJRFYGOSOV-UHFFFAOYSA-N 475.641 4.591 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873168057 HUDUHUODZDRCPK-NBGIEHNGSA-N 485.632 4.629 10 10 JJCE CCOCCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422734 MJPWOGNQBJCHRH-UHFFFAOYSA-N 461.537 4.852 10 10 JJCE Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c(O)c1 1873875458 HLRSXFVVBGVPJA-NDEPHWFRSA-N 480.568 4.831 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 2296398139 WDTFHDGDQVMFLB-UHFFFAOYSA-N 465.303 4.938 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2297461320 SESITMKULPCIBJ-UHFFFAOYSA-N 489.340 4.860 10 10 JJCE COc1cccc(OCCn2cc(C=C3C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)c1 2297469952 LEAITDHECIOEOL-UHFFFAOYSA-N 458.543 4.896 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC1=S 2314476309 MNRTXIQCFSPWNS-UHFFFAOYSA-N 479.627 4.626 10 10 JJCE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 2314522259 AOHCAQYWILSLGI-UHFFFAOYSA-N 463.584 4.922 10 10 JJCE COc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)sc2c1 2314563202 YFAZWPWZTSSSQZ-UHFFFAOYSA-N 476.004 4.798 10 10 JJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(Br)c2)C1=O)C(=O)O 2314932565 WNYAWFNJKOGLSZ-NSHDSACASA-N 464.362 4.707 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)c3ccco3)CC2)cc1 56943788 QBMFSMUQGFOXMX-XMMPIXPASA-N 498.023 4.779 10 10 JJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(C(=O)OC)cc3)C2=O)cc1 59371584 HHTVQMXBMOFFOL-XSFVSMFZSA-N 455.605 4.590 10 10 JJCE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 226785873 WPKZKIAVIHRAQO-QELHCHSZSA-N 456.633 4.692 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526258478 YBCNHXKNJWIOIL-HSZRJFAPSA-N 463.461 4.861 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526369961 KFKFFFKZDXZRGI-RUZDIDTESA-N 458.514 4.764 10 10 JJCE CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 1084074463 BTWMOJKQLCGAQA-FOWTUZBSSA-N 457.324 4.521 10 10 JJCE CC(=O)c1cc(F)cc(CN(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)c1O 1169855174 YLYXNNUIDRKILZ-IBGZPJMESA-N 450.348 4.986 10 10 JJCE Brc1cc(CNCC[C@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 1461757021 YDHFTWBKCMLHRP-HXUWFJFHSA-N 451.449 4.895 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 1860589812 AFENTEGAPXNLGS-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccc(Cl)cc1 1865679623 WSBITUAFVNXSIW-UNOMPAQXSA-N 461.861 4.854 10 10 JJCE Cc1ccc(CN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164075 KUEKBGNJRDVAMN-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)c(O)c(O)c1 1951591117 HGVBPEHKEUHCIT-NRFANRHFSA-N 463.486 4.638 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2c(O)cccc2O)C1 1952450997 NXLUNJOCPLGUON-KSFYIVLOSA-N 459.498 4.885 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(CO)c2I)cc1C 2080003084 HYYZOYPULTWFOK-KRWDZBQOSA-N 454.352 4.599 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@](F)(CNCc2cc(Cl)cc(Br)c2O)C1 2101315970 AXMYHWUOTZGLQF-SFHVURJKSA-N 451.764 4.637 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1 2293993098 ARGKWPQXXCWJRN-UHFFFAOYSA-N 490.899 4.543 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc(I)c1O 2297296557 DGEODXYQPQEHPB-UHFFFAOYSA-N 476.314 4.818 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 2297344143 PJGGFVXBQTURKZ-UHFFFAOYSA-N 478.451 4.609 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 33377864 RICMTCKNTOGDEQ-NNLQFVHNSA-N 463.964 4.602 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCCC(C)C)c(OC)c2)SC1=S 40938737 JQFGUZBBIWWGKH-XMHGGMMESA-N 451.610 4.665 10 10 JJCE CCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(N(C)C)cc1 54642559 CKZNSHDYSMBIJE-JOCHJYFZSA-N 463.607 4.879 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 96556971 YVGDZMZXUHJQJW-QJOMJCCJSA-N 472.541 4.621 10 10 JJCE Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 111848719 XTGFEVZOJFEYIG-YVLHZVERSA-N 491.432 4.914 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)cc1F 687811020 MBEAXQHFDOUEAK-VWLOTQADSA-N 453.441 4.899 10 10 JJCE Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C)n1-c1ccccn1 728867178 KKJXENPDWVWLFJ-UHFFFAOYSA-N 458.484 4.997 10 10 JJCE COc1ccc(OC)c(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1 1858594221 PYLBNPNDYOPJIQ-QCBCRBAMSA-N 454.617 4.742 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[C@@H]21 1860347538 VJHOADBYKXNTKQ-AREMUKBSSA-N 454.505 4.566 10 10 JJCE O=C(Nc1ccccc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860508501 CJAHMAXGHWNVEF-UHFFFAOYSA-N 462.465 4.753 10 10 JJCE O=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860555343 UQTQKIFFIAEJLQ-UHFFFAOYSA-N 462.465 4.753 10 10 JJCE CC/C(=C\C(=O)N[C@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866689306 WQEOIGGYKWSLRP-IKPXGLPCSA-N 496.563 4.798 10 10 JJCE CC[C@@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854679 ZUGCCCKTROHFGR-SXOMAYOGSA-N 479.665 4.802 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccco3)C2=O)cc1 1873168799 JWIIFONWKOSWJL-UHFFFAOYSA-N 491.551 4.633 10 10 JJCE CN(C)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873895901 VDMVPEMRAOXQQZ-LJAQVGFWSA-N 493.611 4.883 10 10 JJCE O=C(Cn1ccc2ccc(Br)cc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178914 ASGPQCBYKXMTEK-UHFFFAOYSA-N 459.299 4.818 10 10 JJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C(F)F 2079720379 MAZUEXMGCPFFHW-UHFFFAOYSA-N 457.056 4.504 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2293039631 VBWZSEGAMZZDHO-UHFFFAOYSA-N 498.369 4.837 10 10 JJCE Cc1c(NC(=O)CCCN2C(=O)SC(=Cc3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C 2297450094 SWHQZQWTTBYIIW-UHFFFAOYSA-N 492.626 4.740 10 10 JJCE C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500902 RCRXSWZNEGHFHT-CQSZACIVSA-N 470.019 4.770 10 10 JJCE C[C@@H]1CN(C(=O)CCN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 2314487697 HUHSYLDNJHVBEU-QZTJIDSGSA-N 488.675 4.625 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CC(=O)OCCCC)C2=O)cc1OC 2314740817 ODALZGPSHFRWND-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 2329540071 NCGANDCCMZYBKV-LJAQVGFWSA-N 489.660 4.595 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13639310 LHXUYGXJGVTVRO-UDSSINMLSA-N 489.435 4.733 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccccc1 15039097 IAPAJAMVIHDHBI-ATVHPVEESA-N 477.405 4.775 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(Cl)cc1 15039473 FHRUCAQFWLIFLE-ATVHPVEESA-N 461.952 4.868 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc1 16914591 NTHHROJXUDNFHL-AREMUKBSSA-N 481.015 4.838 10 10 JJCE Cc1cc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1Cl 20356582 KQKINFFRSQUNNK-UUOJLOPESA-N 497.024 4.591 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@H](c1cc(Cl)ccc1O)N2 32955246 SBPJGIAWFUOCJH-OAQYLSRUSA-N 457.958 4.527 10 10 JJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C2SC(Cc3ccccc3)=NN12 32964445 LLZAOSHLFOYDAD-SZRLJQQQSA-N 490.932 4.901 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cc(C)c(C)cc3C)cc2)SC1=S 40937959 LMZDOCNLVHCAPN-FYJGNVAPSA-N 455.601 4.955 10 10 JJCE CCc1ccc2occ(CC(=O)N(Cc3ccc(N(CC)CC)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 54362144 HUTJRBTTZNSOTN-XMMPIXPASA-N 482.646 4.600 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)[C@@H](c3ccccc3O)C2)cc1 206358457 URZFBKNFPXHJLE-SGCYSOCQSA-N 471.538 4.928 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 210708766 QLKOYJXCQOUZDL-XMHGGMMESA-N 481.624 4.952 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526144742 JNNOLHZKKCULAN-VWLOTQADSA-N 477.513 4.961 10 10 JJCE COc1cccc([C@@H]2SC[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1615980143 JAFOKKJEJIVBFZ-URXFXBBRSA-N 477.538 4.851 10 10 JJCE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1705746287 RUPRHHOSORTSAG-IBGZPJMESA-N 465.907 4.873 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(Cl)cc2)sc(C)c1-c1ccc(C)cc1 1860761363 SGRWDPOTYVRRSD-UHFFFAOYSA-N 456.951 4.727 10 10 JJCE CC(C)c1cccc2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866499101 COJQJZCJSCERRH-RUZDIDTESA-N 460.622 4.675 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426277 YKVLSPQKQZKZPL-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C(F)(F)F 2079680668 HFNSIKBKZSRSLE-UHFFFAOYSA-N 475.046 4.585 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080053999 XULNSXWASUDVFE-AWEZNQCLSA-N 464.250 4.691 10 10 JJCE CC(C)(C)OC(=O)N[C@]1([C@H](N)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163152406 SRIDYSXXYYDHLZ-LEAFIULHSA-N 464.654 4.846 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2205549668 QJHNIQAQGNZJBT-YMPZKCBVSA-N 465.638 4.960 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2296710621 FOJPCCSDMFYUOF-UHFFFAOYSA-N 479.627 4.660 10 10 JJCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(Br)c2)cc1 2297224650 ZSKAUDALRSQDJS-UHFFFAOYSA-N 464.363 4.925 10 10 JJCE COc1cccc(C=C2SC(=S)N(CC(=O)O)C2=O)c1OCc1ccc(Cl)cc1Cl 2297364986 LBDXUUYXOJQKMA-UHFFFAOYSA-N 484.382 4.867 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 2297456360 QWNLFPWJVCLBOT-UHFFFAOYSA-N 499.523 4.525 10 10 JJCE C[C@H](Oc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 2297467957 GVRBVSBMIHAPDG-INIZCTEOSA-N 453.527 4.889 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1 2297499978 BRDVBDZBEGPKOH-UHFFFAOYSA-N 476.916 4.773 10 10 JJCE CCOc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831220 GCWMLYVVJWRKPB-UHFFFAOYSA-N 486.615 4.897 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc(Br)c1O 2332107013 FCLQNJYOARTTLP-UHFFFAOYSA-N 469.257 4.816 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13640923 AVNVTXZNIUSYAN-YPCDYVTLSA-N 498.645 4.960 10 10 JJCE CSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 33316186 CGAAIUOWYLVTKU-SFQUDFHCSA-N 457.577 4.829 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCC)nc3ccccn3c2=O)SC1=S 33498151 RGRSLFYIYQVWIW-IYWFSZBXSA-N 458.653 4.934 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133694 VNMGXTWIJIFKAP-AQTBWJFISA-N 496.639 4.907 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc(Cl)ccc1Cl 103919932 RMWFYODFKAJIQR-YBFXNURJSA-N 463.277 4.553 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526378782 QJYHNPINUJUPMW-RUZDIDTESA-N 477.513 4.959 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526407153 PYWULMKSERWFPH-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCN1CCN(c2ccc(CNC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2F)CC1 730671208 ABWJFPBYSUBKBH-UHFFFAOYSA-N 463.601 4.538 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866556396 RATUAORPSKULBH-JOCHJYFZSA-N 497.039 4.522 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2079006602 FFMOZSULSKHSHF-GOSISDBHSA-N 450.320 4.971 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080004267 YCQVREQZKROPAY-IBGZPJMESA-N 496.345 4.646 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C(=O)O)c1I 2080006857 MLJDVOVGMOVXRU-ZDUSSCGKSA-N 454.308 4.559 10 10 JJCE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194922238 FMQGHOLVNNQDTC-UNMCSNQZSA-N 478.678 4.662 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 2313558944 NJQUHSPXCSSCSO-UHFFFAOYSA-N 496.947 4.898 10 10 JJCE CN1CCN(N2C(=O)C(=Cc3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)CC1 2314490014 VIDJYHWKRYZYMS-UHFFFAOYSA-N 454.404 4.617 10 10 JJCE Cc1[nH]c2ccccc2c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314656402 VDEJPQBWKCFAPG-UHFFFAOYSA-N 460.584 4.680 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 14477530 XIHDQSZIXUWARO-HYFFOGBASA-N 465.402 4.841 10 10 JJCE C[C@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n23)CCN1Cc1cc(Cl)ccc1O 34708008 PEAATFJRLQCOMI-INIZCTEOSA-N 474.952 4.607 10 10 JJCE Cc1ccc(-n2nc(N3CCCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)ccc2=O)cc1C 35503671 LMVGNWACUIPXIL-UHFFFAOYSA-N 495.627 4.609 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 35638456 SFSYHZQMQIEQFR-RMQRNJBZSA-N 477.655 4.573 10 10 JJCE COCCN1C(=O)/C(=C\c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)SC1=S 39835737 RITXUERNAVXNIP-XSFVSMFZSA-N 495.626 4.766 10 10 JJCE Cc1cccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)c1 54201736 CJFSKCMJLOMRLS-ISKFKSNPSA-N 484.581 4.879 10 10 JJCE Cc1cc(-c2csc(NC(=O)Cc3ccc(-n4cnnn4)cc3)n2)c(C)n1-c1ccc(F)cc1 71887715 KSAYLAQTUZVJFZ-UHFFFAOYSA-N 473.537 4.514 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)CC1 226854490 KEQMGSLSEAZXFF-QZMQVMSPSA-N 478.445 4.756 10 10 JJCE CC(C)(C)OC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 749042362 CGSGXNWRHDYRFD-UHFFFAOYSA-N 465.554 4.804 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c(C)c1 1084177256 KWBAAFDVMLZYPR-BOPFTXTBSA-N 464.861 4.581 10 10 JJCE Cc1ccc(N2C(=O)[C@H](C[C@H]3SC(=S)N(c4ccc(C)cc4)C3=O)SC2=S)cc1 1616047684 BLUFZBNPFSWDPJ-CALCHBBNSA-N 458.655 4.860 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1OC 1858589817 LDAXKLLTLCTRSM-CXUHLZMHSA-N 480.036 4.819 10 10 JJCE Oc1ccc(Cl)cc1N=c1nc(N2CCc3ccccc3C2)[nH]c(N2CCc3ccccc3C2)n1 1871732607 PDHBVHITGPNLRK-UHFFFAOYSA-N 484.991 4.522 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2296374247 HIUWAGBQUVQRMO-UHFFFAOYSA-N 457.436 4.634 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(OC)c1 2297347409 FOKLQEWCLGFPKP-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(OC(F)(F)F)cc4)n3)CC2)cc1 23235745 HLKOCEHTCIDXRG-UHFFFAOYSA-N 492.523 4.685 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)sc2c1 39875017 VPFHCVWUTDKZDB-GDNBJRDFSA-N 461.615 4.596 10 10 JJCE CCOC(=O)[C@@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)c1C 40430315 ZFKIBWYUMBAGLZ-DEOSSOPVSA-N 471.575 4.506 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 210445556 XRGRNYDBPXPWGR-QNGOZBTKSA-N 486.615 4.801 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCS1 1705622534 KWYZTHOWQBNTRC-QHCPKHFHSA-N 463.651 4.724 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)CC1 1741010958 BPXOQRHRMNZVPQ-UHFFFAOYSA-N 491.086 4.685 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(Cl)cc1 1860746829 GTTBPQHLBIDYHG-UHFFFAOYSA-N 486.933 4.860 10 10 JJCE CCc1sc(NC(=O)CCc2ccc(=N)[nH]c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866140217 LAJCSDVLZZMSQJ-UHFFFAOYSA-N 488.407 4.905 10 10 JJCE Cc1cc(Cl)cc2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866430537 KELWNZDNBIKOPX-HSZRJFAPSA-N 467.013 4.513 10 10 JJCE CC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868702155 NFQDDAKQVQXCDY-JWQCQUIFSA-N 486.056 4.722 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@H](C)COC[C@H]4C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245242 BCCRUHMQNQIWGM-WOJBJXKFSA-N 494.039 4.746 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423971 JZCAZDJZIJWVIJ-INIZCTEOSA-N 458.518 4.993 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(F)cc4F)c3)CC2)cc1 1874729924 IYBRKXCUHJIARJ-UHFFFAOYSA-N 494.538 4.517 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2053513656 SOGLXZHVDWMTGF-UHFFFAOYSA-N 463.584 4.914 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079006597 FEFSVBOVTVRVFQ-GOSISDBHSA-N 466.319 4.857 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 2296114214 QSCYCUQOUKLAKT-UHFFFAOYSA-N 494.507 4.827 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC1=S 2297350946 KNAHXGZXXMICOW-UHFFFAOYSA-N 484.433 4.692 10 10 JJCE CC(C)C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323813063 UPKLHWIFCAPAJD-LLVKDONJSA-N 464.790 4.509 10 10 JJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105157 CSWGUDKZMUONSF-UHFFFAOYSA-N 498.023 4.642 10 10 JJCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(C)cc2O)cc1 8587535 CSYQWDOCPFBEFT-DEOSSOPVSA-N 478.552 4.532 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 13914041 DDSXUOGVNAWSAY-PXLXIMEGSA-N 470.481 4.809 10 10 JJCE COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c1 35044218 FLNFFSZLJHOYJV-BKUYFWCQSA-N 493.562 4.921 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 59534757 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1873162268 NQSIMGDZBLLSKA-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE Cc1cc(C)cc(OCCN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166921 LFGKPQCGHDGUKM-UHFFFAOYSA-N 471.601 4.868 10 10 JJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421262 OLYXDXIGEDYORR-UHFFFAOYSA-N 486.616 4.555 10 10 JJCE CCCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421583 FZEMKMHBOFAQMJ-UHFFFAOYSA-N 485.584 4.802 10 10 JJCE CCCN1C(=O)C(Nc2ccc(OC)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421783 QMCXDFGMUQVBMX-UHFFFAOYSA-N 474.517 4.613 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296542822 XTLYXTNGRNVAEK-UHFFFAOYSA-N 478.643 4.925 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1Cl 2297347693 UFDIORQWAWGPRK-UHFFFAOYSA-N 467.909 4.647 10 10 JJCE O=C1C(=Cc2cccs2)SC(=S)N1CCCCCC(=O)N(CCO)c1ccccc1 2297554545 FHPURJWYYRGXKB-UHFFFAOYSA-N 460.646 4.535 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc(I)c1O 2297561443 BSELLKGHXKAATE-UHFFFAOYSA-N 483.352 4.720 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 2313562104 DZSSRTSXMRLZGU-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314831899 VGLLJYYFPCWTJH-UHFFFAOYSA-N 498.626 4.969 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)cc1OCC 2323775073 WWHLOAODCJJTPX-UHFFFAOYSA-N 471.600 4.699 10 10 JJCE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14471266 JWXUZIZOLGATRW-SEYDDUDXSA-N 489.981 4.532 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 33590873 FXPAQVKUNMCVAK-RBYWHNRPSA-N 494.642 4.623 10 10 JJCE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C4\NC(=O)NC4=O)c3C)sc3c2CCCC3)cc1 59679470 DLHJJIJAGIOFAU-MOSHPQCFSA-N 474.586 4.775 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526331893 XKFGANDXDUFAIY-VWLOTQADSA-N 457.530 4.777 10 10 JJCE COc1ccc(-c2csc(NS(=O)(=O)c3csc(-c4ccccc4)n3)n2)cc1OC 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MVHXRSFDNCANEP-UHFFFAOYSA-N 468.531 4.838 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935225 NXXXWRPWWDFCIE-GOSISDBHSA-N 485.583 4.936 10 10 JJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15038168 NJJFWKGUPUTCJC-MOSHPQCFSA-N 451.573 4.797 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526219641 RWPLFFLBTKRVLK-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)sc2C1 1860746197 YXSIIKJBKKAWKO-CQSZACIVSA-N 487.581 4.647 10 10 JJCE COc1ccc(CN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164343 XKMLFDSZWVWKBK-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168415 URFLZLODUUWUJI-UHFFFAOYSA-N 463.622 4.911 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2040470222 MHPHXJSCBZGODN-IBGZPJMESA-N 471.600 4.533 10 10 JJCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2297470189 YXBXANBWEAWTCD-UHFFFAOYSA-N 459.531 4.753 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2CC=C[C@H]32)CC1 14467588 WANRWBHBCTWJKT-JLDZCNIISA-N 458.389 4.913 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1F 27519990 JMWOGLIGVGOSJM-UCQKPKSFSA-N 462.481 4.518 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 102864729 QSFTYEOKTSWASR-ONWPUYBOSA-N 464.547 4.572 10 10 JJCE CCN(CC)P(=NN=Nc1nc2ccccc2n2nnnc12)(N(CC)CC)N(CC)CC 263621589 PATHUSBMTYXTQI-UHFFFAOYSA-N 459.543 4.643 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526408392 YXVPIPHSATXIFA-VWLOTQADSA-N 460.530 4.836 10 10 JJCE CN1CCc2cc(CNc3cc(I)cc(I)c3)ccc21 690324167 XDKFTNVGCCZYBF-UHFFFAOYSA-N 490.126 4.500 10 10 JJCE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccc4cccnc4c3O)c2)cc1 1557120289 AIFQDHNELGNGAN-UHFFFAOYSA-N 454.526 4.971 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356470 FTRBYUVXZLCNQM-LRFDDAOPSA-N 453.764 4.585 10 10 JJCE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866816047 AXMARBZYWTVMNI-QJPKHSJYSA-N 472.928 4.662 10 10 JJCE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C)n2)C1 1869297497 WWVNSBXQWGFOHJ-OAQYLSRUSA-N 473.621 4.849 10 10 JJCE CCN(CC)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420673 SSLCALHYOXZDPU-UHFFFAOYSA-N 486.616 4.779 10 10 JJCE CCc1ccccc1NC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873650010 HNEZBIOTEHHTEQ-UHFFFAOYSA-N 484.604 4.601 10 10 JJCE CC(C)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2042447346 OFQMXLJIUSQZOS-INIZCTEOSA-N 459.545 4.589 10 10 JJCE CN1CCc2cc([C@H](N)CC3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163146895 WOMMIDNCJUHTHX-XMMPIXPASA-N 464.654 4.628 10 10 JJCE O=C(O)CCCCCN1C(=O)C(=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC1=S 2296545405 OMAHMNKEVZUXAY-UHFFFAOYSA-N 484.574 4.589 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 2297469773 IEKKZEFFTYOCIT-UHFFFAOYSA-N 455.543 4.770 10 10 JJCE CCOC(=O)C=C(C)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(Br)ccc1O 2297511106 AZNYBBYHTYYUBB-HXUWFJFHSA-N 459.340 4.781 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2313547746 AXPCMYLUBASTQW-UHFFFAOYSA-N 457.324 4.603 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 2314509737 YDTAFXHWYGTSCD-HNNXBMFYSA-N 451.573 4.795 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc(C)cc1 2314740615 LFILYHQKDDBHMV-UHFFFAOYSA-N 485.627 4.983 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(C[C@@H](C)O)C1=O 2323701751 PTYSPFSYVSZLEI-SECBINFHSA-N 463.934 4.712 10 10 JJCE O=C(NCCN1CCOCC1)c1ccc(-n2c(-c3ccc(F)cc3)cc3c2CCCCC3)cc1 33114836 IDHIZRVVVMIINS-UHFFFAOYSA-N 461.581 4.614 10 10 JJCE N=C1/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N=C2SC=CN12 33714863 WDVRJTJLJGTXNJ-OLKKAHHKSA-N 458.312 4.944 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(Oc3ccccc3F)nc12 39835991 XGLXXUIQUDRBKA-GZTJUZNOSA-N 455.536 4.544 10 10 JJCE CC(C)(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 103865412 TUXOCSMDLVECEQ-KMDXXIMOSA-N 497.522 4.818 10 10 JJCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 1678478874 IBYGRSORWFZXOY-AREMUKBSSA-N 454.659 4.636 10 10 JJCE CCNC(=S)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860667993 QYQBDBSPRPNUHL-SFHVURJKSA-N 473.664 4.672 10 10 JJCE COc1cc(Br)cc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)c1O 1865672365 YTIGIPDLIXCWIS-NTUHNPAUSA-N 453.695 4.758 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677325 DEPPQGXPNFUGQY-PXLXIMEGSA-N 481.568 4.663 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2ccccc2Cl)N=C1C(F)(F)F 1865678377 JOBRSMSGINIARA-ZSOIEALJSA-N 454.832 4.710 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994194 LMQXSUZWDWCKBP-SZPZYZBQSA-N 487.648 4.970 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868701053 XPVRTFHMSPQFQL-LSYYVWMOSA-N 483.628 4.598 10 10 JJCE CCCOC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871236874 KXYROFNCHICAOS-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccc(Br)cc4C)ncc3[N+](=O)[O-])CC2)cc1 1871311452 WZOOXXWXDUEWFM-UHFFFAOYSA-N 499.369 4.535 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427771 ZZSXEIACPVGEFE-UHFFFAOYSA-N 472.564 4.519 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)c(O)c1 2079013828 RCUQLYSXUAMSTH-GOSISDBHSA-N 451.352 4.617 10 10 JJCE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079035927 NGFPLOHAZNTGNI-CYBMUJFWSA-N 452.214 4.578 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080035138 QOQCTGXBISJGRE-AWEZNQCLSA-N 495.283 4.563 10 10 JJCE CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 2294259158 NMPBZOVYNFAYDU-UHFFFAOYSA-N 481.371 4.832 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1OC 2296881559 OGVQBZRPEMKUBQ-UHFFFAOYSA-N 493.006 4.596 10 10 JJCE O=C1C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1cccc(F)c1 2297617152 UAVNLBWKSMWNTO-UHFFFAOYSA-N 455.286 4.608 10 10 JJCE CCc1sc(NC(=O)C=Cc2cncnc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2330008130 XQJOCWKINAGQAC-UHFFFAOYSA-N 472.364 4.969 10 10 JJCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@H]2c1cc(Cl)ccc1O 15834361 QSFJUUVTZNALHV-QHCPKHFHSA-N 498.970 4.877 10 10 JJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 40852576 VGNVKNCMWTYLHI-ZHZULCJRSA-N 471.604 4.596 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 103801892 ASHSMXWURXMWEJ-WEBHAMHFSA-N 463.515 4.560 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 210717558 HWMCFBJQNDXTNM-RQZCQDPDSA-N 482.505 4.737 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(Cl)cc(Cl)cc4c3=O)cccc21 1866080301 VKJWOJZBCAHTBJ-UHFFFAOYSA-N 463.276 4.863 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc(C(C)(C)C)ccc3c2=O)N2CCCCC2)cc1 1866437367 ZFXOOJCAXJQENU-AREMUKBSSA-N 474.649 4.849 10 10 JJCE CCCCOc1cn(Cc2cccc(C)c2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660138 LMPSGTBJPVHMDM-UHFFFAOYSA-N 475.633 4.715 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418555 OFPVGGLCMUEENC-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE O=C(NOCCCNCc1ccc(Cl)cc1O)OCC1c2ccccc2-c2ccccc21 1928765660 QXISQYQWDPJZOO-UHFFFAOYSA-N 452.938 4.996 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2078981615 NNXXAQDKGRDDKE-QGZVFWFLSA-N 456.324 4.657 10 10 JJCE CC(C)(C)OC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1[N+](=O)[O-] 2079195515 CUBIUUJFTLNPEI-UHFFFAOYSA-N 455.311 4.538 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2297307995 AYTVSTNQRAOQFB-UHFFFAOYSA-N 457.280 4.625 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2297334685 QATPFAHCCRNRLX-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N2O1 2297347503 CDWBMGIQBNQNRL-UHFFFAOYSA-N 451.910 4.865 10 10 JJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 2297350016 MBHLRDWGIZPSRM-UHFFFAOYSA-N 452.919 4.887 10 10 JJCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2297364246 PIPMZEFVAVJBOP-UHFFFAOYSA-N 454.621 4.583 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2297560743 HTXGQXFYYNUWKG-UHFFFAOYSA-N 465.508 4.837 10 10 JJCE O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836584 HASCCBCAFBTBFE-UHFFFAOYSA-N 489.446 4.736 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332115127 SGRZVSUWABHBTR-UHFFFAOYSA-N 458.514 4.864 10 10 JJCE CCN1CCN(c2cc(Nc3ccc(C(=O)OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741967 MVPLOTNLDYGVMM-UHFFFAOYSA-N 482.540 4.711 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1 33919226 AFEFOSUAKFRJCB-MYYYXRDXSA-N 496.542 4.977 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 39835660 WZGILCQCEUISGZ-GZTJUZNOSA-N 471.991 4.997 10 10 JJCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 40066442 NOUGRYJCGXTORS-MTJSOVHGSA-N 490.610 4.655 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1F 102837615 ZFCSINVKAJGYJK-DEDYPNTBSA-N 497.573 4.753 10 10 JJCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 729278710 STSHJUAKQOBVKC-BFUOFWGJSA-N 453.366 4.730 10 10 JJCE CC(=O)c1c(C)cc(OC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1C 1537187822 INJIICACBOYDSB-XDHOZWIPSA-N 457.548 4.842 10 10 JJCE CC(C)(NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866716008 AYRQCLYBRDZGRF-QHCPKHFHSA-N 480.564 4.879 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873164892 XKAMWVUJTQHYKM-UHFFFAOYSA-N 466.585 4.898 10 10 JJCE COCCN1C(=O)C(Nc2ccccc2Br)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420209 JWMQTPWZLHSTLQ-UHFFFAOYSA-N 494.389 4.695 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951873271 RTERJPPURFQBES-RUZDIDTESA-N 462.458 4.529 10 10 JJCE Cc1ccc(C)c(-n2cccc2C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1 2297346677 LCDJXKKIPPVPQL-UHFFFAOYSA-N 455.543 4.792 10 10 JJCE CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCC(=O)O)[C@H]3c2ccc(N(C)C)cc2)cc1 8431621 FWVCPSHQUCTEGN-GEHGWKRPSA-N 474.605 4.806 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Cl 27531834 QLKYNXRXMOPLQM-QGOAFFKASA-N 499.350 4.921 10 10 JJCE CC[C@@H](C(=O)Nc1ccc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)nc1)c1ccccc1 34681880 RGJUDFGBHDVXML-HHHXNRCGSA-N 471.649 4.992 10 10 JJCE CN1CCN(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)SC2=S)CC1 35518829 VJSGVBOEPUBKLO-QNGOZBTKSA-N 496.061 4.556 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 226829792 SGPCBMCCHDUNDU-RNHFSVANSA-N 493.541 4.936 10 10 JJCE CCCCS(=O)(=O)N(CCOc1ccc(C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189270 FDTPPUGDBZRHIJ-UHFFFAOYSA-N 477.582 4.786 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3O)C2=O)cc(Br)c1O 1860084288 JHGITKOIIUJCAN-OVCLIPMQSA-N 452.351 4.583 10 10 JJCE O=C(CNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCCCC2)cc1 1860721100 GSQFNGCDORTZLS-UHFFFAOYSA-N 452.780 4.527 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864021262 OEZZUBKUSAFFGJ-UPCLLVRISA-N 498.583 4.608 10 10 JJCE CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079945876 NCAAUBPFXIQCBI-KRWDZBQOSA-N 456.324 4.541 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 2296125553 HFFQZBWGXWJUEC-UHFFFAOYSA-N 481.577 4.920 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1O 2296756236 PWMXEJYXIUQWEX-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC(=O)c4cccc(C)c4)c3)C2=O)cc1Cl 2297364486 VXGMLDWQRVONDL-UHFFFAOYSA-N 490.899 4.543 10 10 JJCE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2297460327 IAEDBDFSQGSMBZ-IRXDYDNUSA-N 482.675 4.629 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2297468196 GAXMDGGHMRANCN-UHFFFAOYSA-N 483.553 4.515 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314650600 QWBHUZGDFPYXSM-CYBMUJFWSA-N 486.354 4.773 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2321738462 BUDZHBSLXHQWMB-UHFFFAOYSA-N 458.605 4.964 10 10 JJCE CCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 2332126842 KBVGLSOUYNBZKW-UHFFFAOYSA-N 459.340 4.515 10 10 JJCE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)C2)cc1 9637456 XPMVTFNFUBLIPC-QFIPXVFZSA-N 486.641 4.927 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238770 JETKTOIZZBLRCN-SPXSAIPKSA-N 487.497 4.839 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Cc3cccc4ccccc34)c3ccco3)CC2)cc1 38940507 SEYJWJCPIJVOHI-HHHXNRCGSA-N 469.585 4.664 10 10 JJCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)o2)cc1 40322844 XWFZUPKASQKDGF-UHFFFAOYSA-N 475.570 4.729 10 10 JJCE Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 109179711 QEYPTIYURRGIPY-DLENHJPASA-N 463.603 4.758 10 10 JJCE CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 250386470 KDDXNQZVEVSBOD-UMEGOILYSA-N 454.592 4.878 10 10 JJCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 729278813 WBNLGNPGFSMDJX-GFCCVEGCSA-N 461.287 4.981 10 10 JJCE CC(C)(C)C(=O)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858892124 ZIVUDKHKELTRFY-UHFFFAOYSA-N 456.498 4.735 10 10 JJCE COc1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860344939 JAVUUFMENJTAKT-MUUNZHRXSA-N 480.568 4.826 10 10 JJCE CCc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347380 NFOUMHWXBZSVMB-NDEPHWFRSA-N 464.569 4.989 10 10 JJCE CC[C@](C)(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862148367 RWMYGYVAUFXCPS-FMHSGURNSA-N 477.649 4.640 10 10 JJCE CCOC(=O)CCC(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866120321 ILYBCEHAWXUBON-UHFFFAOYSA-N 468.369 4.808 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(OC)ccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866493084 INTGEOWNVSTEOA-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE CC[C@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866721560 UNWZEHZHSVTGRQ-ZEQRLZLVSA-N 480.564 4.879 10 10 JJCE Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867332108 JTHFJJDZBQOHQY-WDYNHAJCSA-N 498.671 4.876 10 10 JJCE COc1ccccc1CN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164296 UUUHWTIWVFDHEU-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE CCCCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421714 NDILZIBKBUCYJP-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C(C)C)C3=O)cc2OC)cc1 2040392817 TWQRGPVPGRDEOU-UHFFFAOYSA-N 469.584 4.932 10 10 JJCE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 2053497197 ZKMSSENWKAKVKA-UHFFFAOYSA-N 474.586 4.629 10 10 JJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106851223 QXZYQXYLDAVHOK-SHQCIBLASA-N 452.643 4.573 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1 2296946531 MJOWZLLJJZIVDI-UHFFFAOYSA-N 465.553 4.923 10 10 JJCE COc1cccc(OCCCOc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 2297347588 KVIHCECFCOQAFC-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314507916 MSMLWANRBRJKGZ-UHFFFAOYSA-N 455.536 4.546 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 6191728 COFMYJWNXSFLKQ-HIBZGYDWSA-N 482.583 4.657 10 10 JJCE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14471269 JWXUZIZOLGATRW-AEFRCRGFSA-N 489.981 4.532 10 10 JJCE CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1 15047305 GTTYXBORWFERTG-NHZCGGKSSA-N 452.557 4.560 10 10 JJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423647 DESBPHLQAMEOLM-UHFFFAOYSA-N 490.666 4.950 10 10 JJCE CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1OCC 59198217 FUAFYKMSEWNAFE-WJDWOHSUSA-N 459.296 4.753 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)cc1 103883822 NXCLLMMVOBXIRV-JLPGSUDCSA-N 490.585 4.831 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 210695002 QMKBPKDWVVYCEE-LDADJPATSA-N 496.532 4.953 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)ccc(N)c2C1 383794868 XMLKRTPEHNXZJV-VXKWHMMOSA-N 462.638 4.520 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1705590356 IXLQUDANRMXULL-NOZRDPDXSA-N 482.676 4.936 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(F)cc1 1860658408 UHUZURJKCNASNY-SFHVURJKSA-N 487.597 4.906 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 2294133891 KYDIALMWTSAEFZ-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1 2296930514 MUPJWKAGTPPVKD-UHFFFAOYSA-N 465.962 4.587 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314830993 ABHGBQPTFVWLGT-UHFFFAOYSA-N 486.615 4.810 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836906 LPMDCMKJXQLMEM-GFCCVEGCSA-N 477.405 4.692 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(Cl)cc1 2314842341 QFJIWXUZTKWLBK-UHFFFAOYSA-N 467.797 4.942 10 10 JJCE CCCC1=NN(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 2332139369 ZHUNXNZUSXDGMU-UHFFFAOYSA-N 457.615 4.760 10 10 JJCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C)c(Cl)c4)n3)CC2)cc1 33309941 YSYJCGZXNRFTNY-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4F)n3)CC2)cc1 207252757 HDNQFBDWZWECFU-GHXNOFRVSA-N 494.592 4.774 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc(Br)c1 1860344949 JTQNJPNOTKQPMT-UHFFFAOYSA-N 499.368 4.976 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc34)[C@H]21 1860347315 JGZYBIMDZSWUQK-MHZLTWQESA-N 495.539 4.725 10 10 JJCE COc1cc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)cc(Br)c1O 1865666898 YCESLIBLLNXNNN-WUXMJOGZSA-N 453.695 4.758 10 10 JJCE CCOC(=O)c1c(NC(=O)c2ccc(CS(C)(=O)=O)o2)sc(C)c1-c1ccc(Cl)cc1 1865785774 BCKIWEMHYSPXAE-UHFFFAOYSA-N 481.979 4.944 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426095 NURVHNIWNFHWSG-UHFFFAOYSA-N 487.510 4.530 10 10 JJCE C[C@@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@@H](C)O1 2040582405 QHQORVMTQKBEOZ-IAGOWNOFSA-N 462.550 4.758 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(O)cc1 2296881704 WUKZNSNBLCYGNQ-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)o1 2297342257 CVGMABIHEUXLEM-UHFFFAOYSA-N 487.497 4.861 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 2314647542 BBMDMIGVFBXFLO-LJQANCHMSA-N 453.633 4.914 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1ccncc1 2314735846 GPQBOGCSHMOOGF-UHFFFAOYSA-N 481.986 4.860 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1OCC 2323775023 PNASQSKAKHYGAB-UHFFFAOYSA-N 467.616 4.884 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15045573 DQQOJDFZWBPITB-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C\c3ccc(Br)cc3)cc12 33379397 UJFNBDWHOASAAU-WTKPLQERSA-N 452.352 4.794 10 10 JJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990118 SVEHDRDPWSFAGV-BHGLXKHESA-N 472.680 4.530 10 10 JJCE CCOc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OCC 71933434 GEEWWJBDWXFBLP-UXBLZVDNSA-N 478.511 4.669 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526160179 XGZPYSRLUUJWDI-RUZDIDTESA-N 488.540 4.598 10 10 JJCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)c1 1860084646 YXFVOTWGAXPLJN-QGMBQPNBSA-N 451.953 4.780 10 10 JJCE CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679509 QMALHZLXAILRNI-NTEUORMPSA-N 459.861 4.740 10 10 JJCE C[C@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)(C)C)n2)CCO1 1868340616 GLHJXAGOPIDPRO-INIZCTEOSA-N 456.546 4.518 10 10 JJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](CO)C2)n1 1868341491 VANRQPAOFVQMMK-KRWDZBQOSA-N 470.573 4.502 10 10 JJCE Cc1ccc(CCNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873895019 DUDYBEYSZDLURT-PMERELPUSA-N 492.623 4.846 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080053186 GRQJEPCZWUMLAV-JTQLQIEISA-N 464.250 4.534 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NCc3cc(Cl)cc(Br)c3O)CCC[C@H]2C1 2149374650 MMXLXERSTNRTPQ-MJEQTWJJSA-N 459.812 4.933 10 10 JJCE CCCSC1=NC(=Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 2297337883 RUQCABKICPAEPF-UHFFFAOYSA-N 451.592 4.809 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCC(C)C)c(OCC)c2)SC1=S 2314760001 IAIHNNMOFCXTIJ-UHFFFAOYSA-N 451.610 4.665 10 10 JJCE CN1CCCc2cc([C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCOCC3)ccc21 16838360 COTZDLVUJBPQLS-MUUNZHRXSA-N 455.602 4.539 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 20235856 SKXNWBGURNXVSY-JOPZDBJVSA-N 481.936 4.955 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)cc1 33260810 XVUHZSBKJVDUCE-UHFFFAOYSA-N 482.540 4.521 10 10 JJCE COc1ccc(OCc2cccc3ccccc23)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33448106 VTYIQSHMWCPPIQ-UQQQWYQISA-N 450.494 4.889 10 10 JJCE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066908 AAWLMBOXCMQARD-QNGOZBTKSA-N 480.659 4.704 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526482102 UGSQCZMKIHLJFS-QHCPKHFHSA-N 495.915 4.994 10 10 JJCE Cc1cc(C)cc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 1084646404 DZSSRTSXMRLZGU-MOSHPQCFSA-N 480.387 4.688 10 10 JJCE CC(=O)N[C@H](C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)C1CCCC1 1357976584 YDDQLSJFDOQMDH-QFIPXVFZSA-N 454.571 4.990 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O 1772759392 GTTYXBORWFERTG-SSLXIERGSA-N 452.557 4.560 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(Br)cc1 1860647148 XBODIHWTKSIMPY-INIZCTEOSA-N 493.423 4.860 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(C)=O)C2)sc(C)c1-c1ccc(Br)cc1 1860647149 XBODIHWTKSIMPY-MRXNPFEDSA-N 493.423 4.860 10 10 JJCE CC[C@@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409130 YDVLDZHAONJPIE-SHQCIBLASA-N 485.072 4.648 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873166436 PTNFRAJEDOKSEC-XMMPIXPASA-N 461.606 4.665 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426230 XNRDKHHUKCLYBD-UHFFFAOYSA-N 483.572 4.589 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)cc1C 2079986686 QEDSHWIHERWCBN-HXUWFJFHSA-N 465.379 4.926 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2196849416 PQEJFAKPSUBYSP-FQRUVTKNSA-N 476.662 4.510 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1 2294280091 YVHAAOOPYWHJAT-UHFFFAOYSA-N 481.577 4.838 10 10 JJCE CC(Nc1ccc(Cn2cnnc2)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682706 JADYXOCKVYKANT-UHFFFAOYSA-N 452.493 4.603 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)O 2314931723 HYJLVGOAIQUWCZ-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE Cc1ccc(CNC(=O)c2cc(Br)c(Br)s2)c(O)c1Br 2380746051 SCQLHRBVFUPDLF-UHFFFAOYSA-N 484.007 4.980 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473535 FWUMVHNYNMJDQU-PRHHBONVSA-N 453.926 4.984 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 15039401 WZAQGOQBNBMGST-PDGQHHTCSA-N 462.980 4.674 10 10 JJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 33424273 PXPFSJOSMBXJIQ-ODJOWLHGSA-N 457.471 4.831 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 33436699 YHPLMYCALSKPCJ-DOYIHLFZSA-N 491.682 4.963 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33723709 VUNSPPXFKQUZNJ-LUJRCDHRSA-N 456.637 4.747 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526563851 VALBSZIKFMZYKZ-QHCPKHFHSA-N 478.570 4.675 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865036745 JHRCRWVAEJEHAS-XMMPIXPASA-N 498.583 4.562 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 1866540618 COGPZRHBQHMDOJ-UHFFFAOYSA-N 463.276 4.863 10 10 JJCE CCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867405030 RRWUPYNMWCGSRW-RPBOFIJWSA-N 485.072 4.648 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@H](c3ccco3)C2)n1 1868480446 AUZHDIGLJQHYPZ-KRWDZBQOSA-N 450.498 4.891 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419588 LNFDDRPQPLALAJ-VWLOTQADSA-N 485.584 4.864 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2040479928 DBLDZGGKSJHESJ-HXUWFJFHSA-N 451.525 4.982 10 10 JJCE C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500901 RCRXSWZNEGHFHT-AWEZNQCLSA-N 470.019 4.770 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3CC)C2=O)ccc1OCCC(=O)O 2314933375 AWXGTAXJINDNJQ-UHFFFAOYSA-N 457.573 4.907 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323808625 CHCRTMQFECIEFF-GOSISDBHSA-N 459.614 4.673 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C)c1O 2332124866 YTIGIPDLIXCWIS-UHFFFAOYSA-N 453.695 4.758 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)c1 39835757 TXUJDYGXHYRCME-XDHOZWIPSA-N 465.600 4.961 10 10 JJCE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39991279 YRMZFCLCXRRXDM-HKWRFOASSA-N 472.680 4.820 10 10 JJCE CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 100148127 XUWOZPMSUGATAZ-YBFXNURJSA-N 476.341 4.707 10 10 JJCE CCOC(=O)/C=C(/C)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(Br)ccc1O 101352583 AZNYBBYHTYYUBB-QKQONQEDSA-N 459.340 4.781 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)CC[C@H]2C1 708125611 VVPNARWUEQXHGV-BJJXKVORSA-N 459.812 4.933 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2F)c2ccccc12 1084400572 HSRXISHUOHXNOA-PGMHBOJBSA-N 475.520 4.654 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc(OC)c1OC 1860074714 GGQMJOBXTLSUIU-UDWIEESQSA-N 454.573 4.638 10 10 JJCE COc1ccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1868169565 JHDBCDSQUFMGIH-UHFFFAOYSA-N 452.466 4.615 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873167500 KJOZCMNXFQCXKX-CPJSRVTESA-N 476.665 4.684 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873168347 RYGBJEKMMABOIR-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873424990 XXDPCBBWHFSYAD-UHFFFAOYSA-N 474.517 4.611 10 10 JJCE CCCn1c(C(=O)Nc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650027 ILWJHUYOKXXZEX-UHFFFAOYSA-N 484.604 4.737 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2c(O)cccc2Br)c1I 2079697811 AKRVVKGVRZCNIL-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080025649 RMCRNGPGCFSHKW-IBGZPJMESA-N 498.361 4.892 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)ccc(N)c2C1 2234719295 MHLCDEZVPKHYQC-SZPZYZBQSA-N 462.638 4.805 10 10 JJCE CC(C)=CCCC(C)=CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819166 SCMMKUFWRJCKPM-AREMUKBSSA-N 496.556 4.913 10 10 JJCE COc1ccc(C=C2SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1OC 2296567542 JIXYACKKOMKHQQ-UHFFFAOYSA-N 459.571 4.650 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OC(F)F)cc3)SC2=S)cc1OC 2313830349 AOVKPDCGPAXWOH-UHFFFAOYSA-N 451.516 4.749 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1 2323840541 OYEOYNMJPUMOTB-UHFFFAOYSA-N 475.035 4.989 10 10 JJCE O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C1/C(=O)Nc2ccc(Br)cc21 1266857 FEWJQINOHZUQFC-BUHFOSPRSA-N 468.254 4.873 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccs3)CC2)cc1 9228358 JLJCSPGIERBDLY-UHFFFAOYSA-N 475.570 4.647 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 27499764 POZWRNUQHYMXPK-UVTDQMKNSA-N 474.256 4.632 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1C 40888716 HHBULSZVFWQTKL-UUYOSTAYSA-N 485.627 4.983 10 10 JJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 40938970 JMWACIJAAXNWRL-VXPUYCOJSA-N 460.621 4.528 10 10 JJCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 47152382 ODOFHXOMHKUXGK-OKHBPPCESA-N 492.376 4.586 10 10 JJCE COc1ccc(CCNC(=O)CCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1OC 102860413 YDQSTSLKBWRLQG-XQNSMLJCSA-N 498.670 4.777 10 10 JJCE Cc1cc(CCNC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(C)n1-c1ccccc1 726702187 GJMYVAVFOUMVBH-UHFFFAOYSA-N 470.577 4.671 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(c3ccc(I)cc3)C2=O)c1 1860074696 DSDHEOMUYSPXIK-XNTDXEJSSA-N 453.326 4.706 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873163930 CRURNPGXGUFIAN-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE COCCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420226 KPYJLOAVHGQYMS-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CC4CCCCC4)c3)CC2)cc1 1874731540 QBUGGPZRFJSNJM-UHFFFAOYSA-N 464.606 4.966 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)c1ccccc1 2200953284 OCOCQNDUJAKTTA-QFIPXVFZSA-N 462.546 4.767 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2293128383 SULPCNFTPSIBLM-UHFFFAOYSA-N 469.375 4.867 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 2293140535 YSTPAISGZQMKBA-UHFFFAOYSA-N 484.965 4.836 10 10 JJCE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296358517 XFOGUUWYQGPFRT-UHFFFAOYSA-N 459.615 4.599 10 10 JJCE CCN1C(=O)C(=Cc2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 2297299270 LGCMVDLTQWHUBD-UHFFFAOYSA-N 461.477 4.525 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccco1 2297366746 QRLSKTPZVHEVIS-UHFFFAOYSA-N 455.513 4.892 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313565237 RLHSJUWKBYOEDO-UHFFFAOYSA-N 499.148 4.616 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314767938 JDNUWHKDBBKDQQ-FQEVSTJZSA-N 487.599 4.608 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934025 FUWSVVGKVVBTRJ-CABCVRRESA-N 457.573 4.900 10 10 JJCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14550776 QBSQICAKDRXVHQ-AWRGLXIESA-N 453.564 4.986 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1c(F)cccc1Cl 16268288 JWPDRAJXMOHEGX-PTNGSMBKSA-N 471.916 4.857 10 10 JJCE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1C 89259536 JRVAODROPHNDMZ-AXQYZSHJSA-N 485.363 4.594 10 10 JJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1CCc1ccccc1 208278353 CCHUQEIAZVNLRN-OQKWZONESA-N 461.612 4.515 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 1084546577 UWDLMKADOVZDQU-QNGOZBTKSA-N 469.632 4.980 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 1084573700 RKKLTIXGYCNWRP-UYRXBGFRSA-N 494.519 4.774 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1OCC 1858589534 WWHLOAODCJJTPX-PXLXIMEGSA-N 471.600 4.699 10 10 JJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865029434 MZLQMXRILMVARZ-HSZRJFAPSA-N 490.604 4.579 10 10 JJCE CCCC[C@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868954559 RJGGKATVJIAZCB-VWLOTQADSA-N 486.056 4.695 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873167837 ZWKAQDRNTAMFPS-VWLOTQADSA-N 473.617 4.833 10 10 JJCE Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)nn1 1891631068 XXRZAIKLFGVUIU-GNKBHMEESA-N 481.644 4.974 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)cc1C 2079847164 OPMVGLRPTRPRDV-HNNXBMFYSA-N 464.294 4.876 10 10 JJCE C[C@H]1CN(C(=O)CCN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 2314486635 AHMQMUATQOKZDF-HDICACEKSA-N 488.675 4.625 10 10 JJCE O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1203161 DOUQKYLTTXTXEA-OUZNOSRWSA-N 474.412 4.642 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 15046415 QEUCSSJNEVJPCF-SJWFJVLYSA-N 496.532 4.951 10 10 JJCE CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 15056113 YZSGIEMAQQJPET-BKUYFWCQSA-N 464.568 4.745 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)Cc1ccccc1 34990872 AGFNYBUDDLKMPW-SILNSSARSA-N 474.673 4.531 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1O 101524903 OBBDMXVYKZIJIQ-LDADJPATSA-N 496.304 4.840 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526184160 ASRQDWNQNXZXEM-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526226820 KUTLDJAIMQIFLZ-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCc1sc(NC(=O)[C@H](C)[C@@H](C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866261818 FAPNKEUZEFLTTM-GHMZBOCLSA-N 468.369 4.822 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867110869 KZYJZLOIMMUECE-VPTFNQTCSA-N 498.579 4.888 10 10 JJCE C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867320250 PABQYLVGPGJHJC-SBUREZEXSA-N 491.463 4.521 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)CC(C)(C)C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869310972 MARCHDKGGBAHOA-UHFFFAOYSA-N 475.637 4.970 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCC2)C1=O 1873170039 MFGRRTSNFHGOAU-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(Cl)cc4)c3)CC2)cc1 1874731032 QZJNAYGXLRGOAE-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)cc1C 2080052991 QYTVBHYKWKYIEM-HNNXBMFYSA-N 479.284 4.677 10 10 JJCE C[C@H](N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2200972635 RYTIUGQNCNYYSS-RXVVDRJESA-N 470.610 4.997 10 10 JJCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 2302714969 BNZRUHKLJRNLLI-SFHVURJKSA-N 459.550 4.997 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 2314508180 NJIXTJAPPPCZBS-UHFFFAOYSA-N 495.626 4.731 10 10 JJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 678797 YBNAFIMLXZHNTP-GDNBJRDFSA-N 459.310 4.736 10 10 JJCE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1C 10909130 HHCWKKJXJGNTCJ-NDEPHWFRSA-N 488.609 4.736 10 10 JJCE CN(C)c1ccc(CN[C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCc2cccnc2)cc1 12491000 ZMBNSMGNAGOMJJ-ATACATFBSA-N 492.708 4.670 10 10 JJCE biogenic O=C(CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15044421 XYPQUQRKFLADGF-RGEXLXHISA-N 472.563 4.924 10 10 JJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 27515587 KMDBOPPOJIZHOW-CJLVFECKSA-N 460.515 4.647 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1 27531158 APLPSFDYBMVESI-ZWEMGWPWSA-N 464.547 4.572 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(OC)cc1 27572630 QSVODTRNSRDLOW-OIYMOPNQSA-N 479.558 4.719 10 10 JJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 33424260 ZEQVSIBIDBOXJP-ODJOWLHGSA-N 457.471 4.831 10 10 JJCE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 33469393 XONXJEUSVDMRCZ-XDHOZWIPSA-N 497.045 4.658 10 10 JJCE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990120 SVEHDRDPWSFAGV-ZTHXOMDQSA-N 472.680 4.530 10 10 JJCE O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCCC1 105493142 MAFIFNZXNFKZMS-FKBYEOEOSA-N 477.944 4.553 10 10 JJCE COc1ccc(F)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687741142 JHAAFWDQPPMWDD-HXUWFJFHSA-N 451.450 4.594 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(F)c(F)c(F)c1 1860343431 AFMQJVZLHFDJMC-UHFFFAOYSA-N 474.442 4.630 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668150 IMMIMYOANUHQIH-FYJGNVAPSA-N 476.504 4.690 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079031999 VQWCJFMJZMWJIL-KRWDZBQOSA-N 482.362 4.975 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079033093 OVLDUQBWFOGTNE-INIZCTEOSA-N 469.367 4.534 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S 2314768929 MQBQRZJYRJYUOG-NRFANRHFSA-N 471.600 4.990 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2314769345 PASBHKDYNJXPQH-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1 6431729 RYKMEYNZAPTMQY-LPYMAVHISA-N 489.553 4.776 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15040169 WTILTVLYBGGDLW-ATVHPVEESA-N 461.952 4.868 10 10 JJCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 15046412 LQSMJGUCECTUDA-VBYYMIJXSA-N 482.505 4.648 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccccc1C 27531746 MKUFKLJXXQEUJX-CJLVFECKSA-N 473.616 4.699 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 33407920 KBARPUZLQFRCNG-XEXOPBTESA-N 486.018 4.695 10 10 JJCE N=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 34687916 CZXRYRBYCAHHOT-XVIKKCDJSA-N 473.945 4.981 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1 83313262 INEVCCUQJDEUCE-WQRHYEAKSA-N 464.821 4.942 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)N(CCO)c2ccccc2)C1=O 102946397 PCKIPJKXJUHGIU-KKGNMLJQSA-N 466.628 4.640 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 207317260 WRNKVXVZCYRDSC-CPNJWEJPSA-N 494.598 4.592 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(N(C)C)c2)[C@@H]1c1ccc(O)c(O)c1 526510118 MXCSZHXNOHEJBJ-XMMPIXPASA-N 476.529 4.628 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)NCc3cc(C)n(-c4ccccc4)c3C)c2C)C1=O 1672654370 HPFZQGJDNYXRDB-UHFFFAOYSA-N 459.550 4.513 10 10 JJCE O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1 1860824909 BUIDTDOYJSXJCY-VIZOYTHASA-N 452.326 4.688 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679998 RHHNPRQUMZWITJ-YDZHTSKRSA-N 472.541 4.865 10 10 JJCE CC(C)(C)OC(=O)N[C@H](CCNCc1cc(Cl)cc(Br)c1O)C(F)(F)F 1913270661 NPPSJLBWSDTTNA-GFCCVEGCSA-N 461.706 4.743 10 10 JJCE O=C(NOCCCNCc1cccc(Cl)c1O)OCC1c2ccccc2-c2ccccc21 1928767928 OXKNUMOLFMRJKX-UHFFFAOYSA-N 452.938 4.996 10 10 JJCE O=C(N[C@@H](C(=O)O)c1cc(Br)cc(F)c1O)OCC1c2ccccc2-c2ccccc21 1951401195 BWBLBGFLPYEVPV-HXUWFJFHSA-N 486.293 4.958 10 10 JJCE COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 2040582454 UNOKPVCLPLWPKJ-UHFFFAOYSA-N 487.364 4.995 10 10 JJCE N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)=NN12 2059072820 MXMKBMYMKMTYKP-SXGUOZHZSA-N 458.543 4.629 10 10 JJCE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=O)c2I)c(O)c1 2079997632 FZHSSYBECNUQPC-SFHVURJKSA-N 454.308 4.527 10 10 JJCE COCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@](C)(CO)c1ccc(N(C)C)cc1 2219989293 DQTJHZYBVJOHIC-GDLZYMKVSA-N 474.601 4.858 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2293202238 NAIVJPFAWYCMGZ-IBGZPJMESA-N 466.496 4.882 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)CC 2297499016 UHANYDNCQBXIGO-OAHLLOKOSA-N 456.589 4.809 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Nc3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933923 FGRFULGVBDWOAH-INIZCTEOSA-N 458.561 4.556 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1[N+](=O)[O-] 2321629586 DMYDFGGTCUEHKA-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC 2332139345 WCNHRMDMKGOVPW-UHFFFAOYSA-N 479.577 4.537 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1/N=N/c1cccc(-c2cccc(-c3nn[nH]n3)c2)c1O 100471878 KWJKFQSAMABKBG-PLFNIDSXSA-N 466.505 4.731 10 10 JJCE in-man CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)SC2=S)cc1 1084279279 QZUUPJBHTVPDTE-QNGOZBTKSA-N 469.632 4.980 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C(C)C)CC1 1301712032 ABOVIUXYLFWENK-UHFFFAOYSA-N 462.642 4.703 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccccc1Cl 1865679419 MDWNNKFRNYHAAK-ATVHPVEESA-N 461.861 4.854 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 1868480867 HKCRKHVHYLCVBE-RUZDIDTESA-N 489.579 4.797 10 10 JJCE CC[C@](C)(NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868670985 RZOCZXDESQWBKL-PVPFEYIBSA-N 489.660 4.739 10 10 JJCE NC(=O)COc1cn(Cc2ccccc2Cl)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871115112 MMNISNDLXNYKAP-UHFFFAOYSA-N 488.975 4.770 10 10 JJCE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc(OC)c1 1873424222 NRRMUJIQZMRLGJ-UHFFFAOYSA-N 459.546 4.712 10 10 JJCE CC[C@H](C)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873424760 VUSQRFPSAXGZMO-IBGZPJMESA-N 498.627 4.936 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1874179245 VGZWNIOALWHPGJ-JOCHJYFZSA-N 456.498 4.667 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 1891924121 MRPBPPNFYBDYCK-UHFFFAOYSA-N 460.574 4.564 10 10 JJCE CN(CCN(Cc1ccccc1)c1cc2c(cc1Br)[C@@H](O)C(=O)N2)Cc1ccccc1 1946813794 WXEMFZFGFDPYSC-XMMPIXPASA-N 480.406 4.573 10 10 JJCE CCN[C@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2163128030 RYGKIJYBYSQBIU-RUZDIDTESA-N 466.670 4.963 10 10 JJCE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163166457 YWITZXQXQCMXQK-KRWDZBQOSA-N 474.646 4.692 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 2297306661 WENCNILLDZEKGC-UHFFFAOYSA-N 494.034 4.962 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1Cl 2297348092 HFLOJLGOZDKVAV-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1 2297350147 ZTAWBQKTROUHHG-UHFFFAOYSA-N 468.918 4.900 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 2314717508 MNBRHNQFUWQOOF-UHFFFAOYSA-N 486.018 4.793 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)cc1OC)C(=O)O 2314930886 ANRQWVATJGCTCS-HNNXBMFYSA-N 463.964 4.996 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 2332139370 ZKBHTFVVRJCYNH-UHFFFAOYSA-N 460.917 4.965 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 40940521 YIUSHBZKOMNPNJ-MRCUWXFGSA-N 479.627 4.838 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)cc1 96477277 OKQUEXKXUKMQMU-PDGQHHTCSA-N 450.447 4.544 10 10 JJCE O=C(Nc1cc(F)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccoc1 726567936 WMOTVPRPLHGIRE-UHFFFAOYSA-N 473.451 4.671 10 10 JJCE CC(C)c1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)cc2[nH]1 1860881807 UYTSEOBQFWNNCD-UHFFFAOYSA-N 455.562 4.935 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1865886482 CGBQWHRZQLPQFL-HHHXNRCGSA-N 496.611 4.510 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873164376 YXIZUASQFHMZMS-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951869681 DRHUREFQYKIKNN-GOSISDBHSA-N 487.144 4.534 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080004159 WTRBEGGKXUYORG-QGZVFWFLSA-N 482.362 4.894 10 10 JJCE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080021849 BFQLMMGLNTXYJX-GOSISDBHSA-N 482.318 4.557 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 2293420625 UEKDFNOPUBCLCP-UHFFFAOYSA-N 454.356 4.858 10 10 JJCE O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 2295149895 GACQCEMDDWKFKH-UHFFFAOYSA-N 452.469 4.959 10 10 JJCE COc1cccc(NC[C@H](O)Cn2cc(C=C3C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 2296203793 SDVRLQGTPDLGTB-DEOSSOPVSA-N 480.568 4.929 10 10 JJCE CCN(CC)C(=O)Cn1cc(C=C2C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 2297319010 PHLNYRYTSXNSLW-UHFFFAOYSA-N 466.379 4.789 10 10 JJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 2313548154 NCMNWAVNLDRHNH-UHFFFAOYSA-N 450.886 4.769 10 10 JJCE COc1cc(NC(=O)C=Cc2ccc(-c3ccc(F)cc3)o2)c(N2CCOCC2)cc1OC 2313934104 ANQVWSZSSMQKSL-UHFFFAOYSA-N 452.482 4.591 10 10 JJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 2314827694 KKNYPHOHVJLMGO-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2314836709 IUEXZGXKYQFWCU-LLVKDONJSA-N 482.505 4.648 10 10 JJCE C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccccc2)CC1 997492 SLMIUFOXUJGIJB-CYVLTUHYSA-N 471.508 4.657 10 10 JJCE CCOC(=O)N1CCc2c(sc(NCc3ccccn3)c2C(=O)Nc2ccccc2OCC)C1 8814317 OWDWIDIQEJJNHF-UHFFFAOYSA-N 480.590 4.921 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 15035634 OFQKJVWWWAHDOT-YBEGLDIGSA-N 452.479 4.554 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 15044257 RWCNQSXQPMMVQX-HKWRFOASSA-N 456.589 4.801 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S 16922698 BJFQVVBKJHZDOE-BOPFTXTBSA-N 464.515 4.532 10 10 JJCE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 33301571 MNEKPNYNUBVLFI-MHWRWJLKSA-N 487.693 4.522 10 10 JJCE O=C1/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1C[C@H]1CCCO1 35189939 SWEMPJNLHYGITJ-FZFLATATSA-N 471.003 4.637 10 10 JJCE CC(C)CCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586693381 PMOAPCCBOYKNAS-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4c(F)cc(F)cc4F)c(C)s3)ccc21 729110614 QZPZEWKJUROVSZ-UHFFFAOYSA-N 481.521 4.636 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 1084541879 QYWVRKXDBYDLEX-MOSHPQCFSA-N 495.304 4.834 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(Br)s4)n4ccccc34)CC2)cc1 1858352320 MNYZQVUJGGZFMK-UHFFFAOYSA-N 497.418 4.796 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3cccs3)C2=O)cc1 1873164385 ZFGWKRNAJRJBFJ-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3)cccc21 1874017354 PLSVSIJWFSVALW-ZDUSSCGKSA-N 479.319 4.760 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](C)c2ccc(C)cc2O)c1I 2079034572 OOEPROGWLWJVKK-GFCCVEGCSA-N 456.324 4.585 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 2296038048 CKXXMWPCENNHFM-UHFFFAOYSA-N 492.578 4.526 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 2313560097 JDDJSHJSOCYORN-UHFFFAOYSA-N 450.541 4.579 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2314504503 WXNDAQPLBRWYSA-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2Br)C1=O 1455686 DPFGWOIPAPQRCF-RTNVFWHRSA-N 459.390 4.942 10 10 JJCE Cc1ccc(-c2csc3nc(SCC(=O)NCc4ccc(N(C)C)cc4)n(C)c(=O)c23)cc1C 19037886 VMQDVIPMCWXWLL-UHFFFAOYSA-N 492.670 4.753 10 10 JJCE COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1Br 33337823 OJWAOIZKACGDNI-YVLHZVERSA-N 478.389 4.715 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33644506 YHLNPDCJYSRAHA-XMHGGMMESA-N 470.664 4.773 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33723227 LXRUMJUKEMVPLD-QNGOZBTKSA-N 490.654 4.801 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39990109 SUGMRBGWAHXKIP-POKCEJIYSA-N 486.707 4.922 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)N(CCO)c2ccccc2)C1=O 102946405 PCKIPJKXJUHGIU-QTSBCSQDSA-N 466.628 4.640 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 210695534 IFMDQCUXEYDACG-LFIBNONCSA-N 481.477 4.844 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526332805 FKTOYOJMWVRJSK-SANMLTNESA-N 487.556 4.785 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1 526392893 DLVBOFQWDNFINV-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526466792 VCQHSUCEJSBGBB-RUZDIDTESA-N 472.541 4.995 10 10 JJCE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 1084165558 TVQURCFZAJAIEE-BKUYFWCQSA-N 478.346 4.831 10 10 JJCE COCCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1565519891 LHNGOAAUIYMNDM-AUSIDOKSSA-N 477.045 4.872 10 10 JJCE CCOC(=O)c1c[nH]c(-c2ccc(C)cc2)nc1=Nc1cccc2c1C(=O)c1ccccc1C2=O 1859832920 SMTPLCDZOCSVSL-UHFFFAOYSA-N 463.493 4.570 10 10 JJCE Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860595615 YCJJXTSNENOUCE-BUHFOSPRSA-N 478.548 4.661 10 10 JJCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C1CCCCC1)C1CCCCC1)=C(N)O2 1865032838 MIDVGOFXDQKWCS-HSZRJFAPSA-N 494.636 4.582 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873166082 BILPCUUZSKYKEG-XMMPIXPASA-N 490.003 4.796 10 10 JJCE CCOc1ccc(C(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874740050 JUXFRKPRMATSBT-UHFFFAOYSA-N 488.584 4.708 10 10 JJCE CCc1cccc2c(C=C3C(=O)NC(=S)N(CC)C3=O)cn(CCOc3ccccc3Cl)c12 2297458390 LAFNAZNUEOPMDS-UHFFFAOYSA-N 482.005 4.583 10 10 JJCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2297559079 KOAGWAFGZQMLHD-UHFFFAOYSA-N 488.308 4.993 10 10 JJCE Cc1ccc(C=C2SC(=S)N(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 2297565276 OUTLVGYJXCIIQR-UHFFFAOYSA-N 473.626 4.658 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 2313556384 XWMWTOXTDKKFMP-UHFFFAOYSA-N 484.552 4.607 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 2314722799 VGNVKNCMWTYLHI-UHFFFAOYSA-N 471.604 4.596 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 21122239 CESCABJPLUHKLR-NVNXTCNLSA-N 494.331 4.797 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1cc(-c2ccc(Cl)cc2)no1 40324329 IXUAPDHCEKKYSH-WQRHYEAKSA-N 490.031 4.964 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 40938502 FFGXBVWCRDOZHV-RVDMUPIBSA-N 458.399 4.694 10 10 JJCE C/C(Nc1ccc(Cn2cnnc2)cc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205954635 JADYXOCKVYKANT-HKOYGPOVSA-N 452.493 4.603 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCOCC3)nc12 208278975 SZOYFUSHALVDOX-HMMYKYKNSA-N 453.633 4.914 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1 210758824 UCKADIFNLHHOGU-LTGZKZEYSA-N 454.617 4.773 10 10 JJCE CCc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)s1 211917362 CCFORXLNRRTMCB-VLGSPTGOSA-N 466.613 4.601 10 10 JJCE COc1ccc(C(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccc(OC)cc2)cc1 1858087010 LOCVHZMXZLRBNP-UHFFFAOYSA-N 460.574 4.583 10 10 JJCE Cc1cc(Br)ccc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860656915 ANOLHSNJJXQVHP-UHFFFAOYSA-N 476.596 4.997 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)SC1=S 1871287614 RIXTZGNVZVRXSL-RGVLZGJSSA-N 475.035 4.892 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166010 XXIIHADSKUAWOB-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427164 FCMXWYFNFUGWQE-UHFFFAOYSA-N 498.627 4.779 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(F)c(F)c4F)cc3)CC2)cc1 1874743126 VYAKGCQIGFGFOB-UHFFFAOYSA-N 498.501 4.727 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080002934 FUPAGNCWNXQQBY-SFHVURJKSA-N 465.379 4.710 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)cc1 2297321863 YGXDTZBAWIOOJN-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE O=C1/C(=C/c2ccccc2)SC(=S)N1CCN1C(=O)/C(=C/c2ccccc2)SC1=S 3158651 UHVIESKMVMDAOA-JTFWXBGUSA-N 468.650 4.789 10 10 JJCE CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O 20764365 KXUOCGXHWTUTEN-BVAGGSTKSA-N 460.530 4.809 10 10 JJCE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066588 UYEGPLPDYNIIJU-XKZIYDEJSA-N 486.622 4.579 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OCC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526237700 MQXIOIFCXAKTFW-VWLOTQADSA-N 477.513 4.961 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526406870 NRXUXRJWXSUBSC-VWLOTQADSA-N 460.530 4.836 10 10 JJCE CC(=O)N1CCN(c2ccc(NC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)cc2)CC1 1536301741 MRLDBCMYKGCLQT-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1OC 1858588030 MWYQOVMNNKFQQF-PBGVMVHZSA-N 473.572 4.607 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)NC1CCCCC1 1860555074 LRYLTVZMJCXTDE-UHFFFAOYSA-N 468.513 4.564 10 10 JJCE CCCOC(=O)[C@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827198 UTOSUNUQCPKIAL-AMRJIULGSA-N 474.604 4.612 10 10 JJCE CC[C@@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866721558 UNWZEHZHSVTGRQ-DNQXCXABSA-N 480.564 4.879 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1869135269 JBAVDDZAWRCMQK-XMMPIXPASA-N 494.039 4.606 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)OCC4(C)C)nc(-c4ccccc4C)n3)CC2)cc1 1869140158 UWVFFZPLUHZZNJ-JOCHJYFZSA-N 487.648 4.791 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426087 UCJAQZWTTLZFAV-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)[C@@H](C)c4ccccc4)cc3)CC2)cc1 1874758760 IANXSFIMGNLECN-QFIPXVFZSA-N 471.601 4.832 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080043222 RDAPFOVMIWCIIR-CQSZACIVSA-N 496.267 4.861 10 10 JJCE O=C1C[C@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 2296741742 QDZYAHHBKWDCSG-HNNXBMFYSA-N 463.367 4.527 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12 2297359517 ZWBMYQHRHYJZFG-RUZDIDTESA-N 476.580 4.871 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2313560689 CINHNFCOYVHCBA-UHFFFAOYSA-N 493.382 4.859 10 10 JJCE Cc1cc(I)ccc1N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2321721517 XVFRCWLQVKCDMG-UHFFFAOYSA-N 453.326 4.711 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1 15045214 UCKADIFNLHHOGU-PGMHBOJBSA-N 454.617 4.773 10 10 JJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(C)cc1 20205506 DWVYIXYIRQBQLZ-HRIUQOHOSA-N 452.561 4.522 10 10 JJCE O=C1/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 33458418 JYJODSJKEZHCNT-NBVRZTHBSA-N 465.625 4.990 10 10 JJCE O=[N+]([O-])c1ccc(-c2nnc(/N=N/Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)s2)cc1 59432133 NKFKSCZVLOUPJD-UHFFFAOYSA-N 455.441 4.651 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 100275630 UXGJGZHOANRXPK-UDWIEESQSA-N 451.519 4.713 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 208740549 KLZQOGMMZSMQPH-LICLKQGHSA-N 473.576 4.674 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)cc1 1084178749 GHIVSHGDQSLLQE-ZHZULCJRSA-N 490.556 4.943 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](c1ccco1)N(C)C 1705479192 JHWKQIBGGPOHMD-NTKDMRAZSA-N 456.594 4.706 10 10 JJCE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1705801362 CCQXMDRKKMWODF-HSZRJFAPSA-N 460.626 4.814 10 10 JJCE C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cnccn2)n1CCCSc1nccs1 1705950585 CTAKUFANUZCOGG-OBGWFSINSA-N 463.636 4.914 10 10 JJCE CCc1sc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860645510 AZYFHMLJSXYTHS-HNNXBMFYSA-N 493.423 4.724 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)cc1 1862374743 WYSQRMZNUBBEKW-UHFFFAOYSA-N 456.521 4.649 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873166990 NKVXJGVFFMLXJU-UHFFFAOYSA-N 499.611 4.937 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2296709414 HKVSWGORHPHEIW-MRXNPFEDSA-N 488.594 4.862 10 10 JJCE CC(C)CN1N=C(C(F)(F)F)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131287 DKKVTJQSJDINTN-UHFFFAOYSA-N 470.083 4.717 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2c(O)cccc2Br)[C@H]1C(F)(F)F 2370313193 UGOSFSOYFUDUMY-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 33534816 PHLNYRYTSXNSLW-NDENLUEZSA-N 466.379 4.789 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 38620118 ITEXITNQRBZITC-QFIPXVFZSA-N 488.510 4.992 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 65023413 GHBHSAFYFZOQPU-XMMPIXPASA-N 457.622 4.831 10 10 JJCE O=C1C[C@@H](N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 102882793 QDZYAHHBKWDCSG-INQNZLQJSA-N 463.367 4.527 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 102975730 NGRCXIWBISUIHZ-PMFHANACSA-N 460.533 4.864 10 10 JJCE O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 103756198 IKSQQZOUVQBOOV-LFIBNONCSA-N 471.347 4.902 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226834177 GGEAYAAODCGXKR-IMWIBFENSA-N 471.579 4.938 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1084285988 YIAXZHHQPHONMP-BOPFTXTBSA-N 483.952 4.727 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc([N+](=O)[O-])c1O 1860085219 WNJIKUTWNQZTPE-VCHYOVAHSA-N 454.485 4.574 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)cccc21 1860590432 ZZVKQKXAQZYJQQ-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4C)n(-c4ccccn4)n3)CC2)cc1 1862356518 LSOJHXDXVRAFJG-UHFFFAOYSA-N 467.573 4.522 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C(C)C)nc(C(C)(C)C)n3)CC2)cc1 1869196485 XKKYZVDDFRBQLU-AREMUKBSSA-N 489.668 4.592 10 10 JJCE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873169004 UEWPHVONLQPTBE-UHFFFAOYSA-N 471.601 4.868 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccccc3C(C)C)n4C)CC2)cc1 1873650322 IUJTTXVQKQTNCC-UHFFFAOYSA-N 484.604 4.679 10 10 JJCE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1963190709 NEGVFLFHUICALK-DNOBIOAJSA-N 488.584 4.710 10 10 JJCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 2175028253 YVKYSJIORQLRSR-XJKSGUPXSA-N 459.812 4.981 10 10 JJCE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2296024802 FUJFUFDVHKCLMV-UHFFFAOYSA-N 499.498 4.534 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 2296660168 KUFDMJSLGKSLSA-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC 2313549511 YBMZCRNCANXEJW-UHFFFAOYSA-N 487.350 4.611 10 10 JJCE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C)C2=O)ccc1Cl 2314508192 NLSSOYRHOWHTOR-UHFFFAOYSA-N 457.964 4.588 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)O)SC2=S)cc1 2314930602 GMULIUSBDSSQOU-HNNXBMFYSA-N 456.589 4.791 10 10 JJCE CCN(CC)c1ccc(C=c2sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1 2326149324 UKEXESGAODGBSK-UHFFFAOYSA-N 480.637 4.920 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 2988306 COFMYJWNXSFLKQ-VFBGBMQPSA-N 482.583 4.657 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 33323444 LICHYHVGCGPWBN-STZFKDTASA-N 456.454 4.779 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c(C)c1 39794037 UPSBZHVVMHOFHC-MFOYZWKCSA-N 477.405 4.572 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3cc(C)cc(C)c23)[C@H]2CCS(=O)(=O)C2)cc1 54362162 QYBCKVXNNMRKBP-DEOSSOPVSA-N 482.646 4.654 10 10 JJCE CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 59370968 QACOKAVZBHLQEK-BOPFTXTBSA-N 477.405 4.897 10 10 JJCE O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 100849235 XQZXUKMSINVUKX-HXIRNQQJSA-N 496.919 4.892 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 108746030 YFWRWHOGQSDFEI-ZHZULCJRSA-N 484.599 4.701 10 10 JJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1859466073 DMAWAXJMHAVGMM-IBGZPJMESA-N 466.537 4.578 10 10 JJCE CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Br)cc1 1862307145 OXLHOKJEJQULEO-UHFFFAOYSA-N 483.410 4.558 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(C)cc(OC)cc3c2=O)sc(C)c1-c1ccccc1 1866429461 MUXPJEBAEGMWEF-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCCC5)CC4)nc(C(C)C)n3)CC2)cc1 1869101035 BUJAWVPDXVJHFP-UHFFFAOYSA-N 492.712 4.780 10 10 JJCE CCCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421955 YOUHFMLKHLHIDI-UHFFFAOYSA-N 484.600 4.533 10 10 JJCE CC1=C(N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@@H]1C 2053510875 VOPODFGYHLCNAT-CQSZACIVSA-N 451.529 4.505 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080048693 WERZTGLMOPWVAZ-MRXNPFEDSA-N 486.350 4.531 10 10 JJCE CCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414580 DOMULTHXSHPWHS-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CCC(=O)OCC)C2=O)cc1OCC 2314760047 IKGAOKCHGYYARB-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)ccc2OCC)SC1=S 2314761643 VXLRBTORDJZLDJ-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)C(C)=O 2314927072 YQSQXXSJJGXWOW-SFHVURJKSA-N 455.557 4.845 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OS(C)(=O)=O 3003646 IAWPBYROGPXQSK-GZTJUZNOSA-N 484.020 4.791 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O 14457110 CGNFSQWHJBSTDQ-ZYLNGJIFSA-N 454.592 4.792 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 40938044 KLHLFAXXJMHLFC-KGENOOAVSA-N 471.600 4.737 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OCC(C)C 108964724 JGFSNKYPPIWDTD-PBRJLSPFSA-N 480.605 4.797 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 213185780 SHLUVLNSFVPPEL-AQTBWJFISA-N 469.563 4.936 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 250247010 LHXUYGXJGVTVRO-USKVXJDGSA-N 489.435 4.733 10 10 JJCE C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1650872954 XUQHBZSDFFWGKH-JRTNDBBKSA-N 454.571 4.920 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(C)C)[C@H](C)C1 1690834490 KBOSSVFUEKUYCN-OAQYLSRUSA-N 462.642 4.846 10 10 JJCE Brc1ccc(-c2nnc(N3CCCC3)n2CCCSc2nccs2)cc1 1705473713 KUFVBCYHCWHJMY-UHFFFAOYSA-N 450.431 4.947 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(C)c(OC)cc4C)n4ccccc34)CC2)cc1 1858347889 CKFMSRCAQGKQMJ-UHFFFAOYSA-N 470.573 4.598 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)c(C)s1 1859574402 KIYRMYWJLYYPAL-UHFFFAOYSA-N 485.631 4.799 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)cc(Br)c1O 1865666524 PEIVVGDSNGZCOK-SDQBBNPISA-N 473.220 4.647 10 10 JJCE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2112858710 KZJATXZXJVCVBJ-NRFANRHFSA-N 450.627 4.663 10 10 JJCE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163122195 XNNVZKLIFBKGIO-GOSISDBHSA-N 474.646 4.836 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1cccc(Cl)c1Cl 2293358551 ICLKJHSADYMXEW-UHFFFAOYSA-N 476.356 4.926 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1Cl 2293662194 FZIDMUAKBSELSN-UHFFFAOYSA-N 478.932 4.658 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(Sc3ccccc3)nc12 2296707732 BXMAJOFIWHGJLQ-MRXNPFEDSA-N 495.651 4.534 10 10 JJCE N=C1C(=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)C(=O)N=C2SC(c3cccs3)=NN12 2297458253 ZTAKUHCUVVVSGU-UHFFFAOYSA-N 476.514 4.774 10 10 JJCE O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314476085 IKRHLFPNJQSEKG-UHFFFAOYSA-N 474.630 4.643 10 10 JJCE COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)SC2=S)cc1 1238388 USMSTSYTPBUVDI-YBEGLDIGSA-N 464.362 4.650 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1O 14457133 GXOOPHZSJPSURN-DFIYOIEZSA-N 454.592 4.648 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NC3CCCCC3)nc12 33781132 LLTXKRQYXVWXFN-XMHGGMMESA-N 468.648 4.891 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)SC2=S)cc1OC 38704545 NSEHHPJJMXSWJR-HKWRFOASSA-N 458.605 4.731 10 10 JJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990043 ZJWKHNNIWWAACS-SMEDBKPVSA-N 472.680 4.674 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 97478571 IEHDPXUGXBKAFC-VSNPKZGJSA-N 483.553 4.645 10 10 JJCE Nc1ccc(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(Br)cc2)cc1 1857992217 OATKAJPNWWVWOR-UHFFFAOYSA-N 470.392 4.951 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 1860084700 CNQSXPIFAOEFIZ-KGENOOAVSA-N 454.617 4.956 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)sc(C)c1-c1ccccc1 1860747876 ZHZVBUQMAHMDNI-UHFFFAOYSA-N 451.548 4.543 10 10 JJCE COc1ccccc1Nc1nc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1 1860824577 KNPDUPOWPTWXGW-UHFFFAOYSA-N 469.522 4.852 10 10 JJCE Cc1cc(Br)cc(C)c1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865937918 PHPOKGLWCAHMGM-HSZRJFAPSA-N 488.470 4.854 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873164918 YQHNYFRUXQKHBV-UHFFFAOYSA-N 471.601 4.815 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079006836 IXWRMEUSZKKDIT-IBGZPJMESA-N 480.346 4.945 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079954608 OKSYXVNYGUTLDV-SFHVURJKSA-N 470.351 4.795 10 10 JJCE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080025573 QHMGVFHHZGQBNC-LJQANCHMSA-N 466.319 4.671 10 10 JJCE CC[C@@H](CN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2116680657 CYEFALDOUMBSBF-KRWDZBQOSA-N 462.635 4.692 10 10 JJCE CN[C@H](c1ccc(N2CCCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163156515 RDLZEMVXRKYKGK-IZZNHLLZSA-N 466.670 4.963 10 10 JJCE CCN1CCc2cc([C@@H](NC)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2284088962 JSOLWQQELQQMCD-RUZDIDTESA-N 465.638 4.783 10 10 JJCE Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2296397946 IRPQGSHWKFOZRA-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 2314507896 MENGVSZJTLONDW-UHFFFAOYSA-N 451.573 4.715 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935164 MYUFKZWYTGYWOS-HNNXBMFYSA-N 457.573 4.960 10 10 JJCE COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)[C@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15017457 HHFJQLQARYXSPS-IAPPQJPRSA-N 490.003 4.937 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2cccc(OCCC(=O)O)c2)SC1=S 16926665 VDNYDBQQZVVGMV-MNDPQUGUSA-N 479.620 4.947 10 10 JJCE CCOC(=O)c1c(COc2ccc(OC)cc2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393637 LGZHRAODYYIVOV-UHFFFAOYSA-N 489.572 4.772 10 10 JJCE CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2cccc(C(=O)O)c2)N=C1c1ccccc1 103250642 HIPGIPYEGYMBDN-RCCKNPSSSA-N 457.442 4.526 10 10 JJCE CCCCS(=O)(=O)N(Cc1cccc(F)c1)c1cccc2c1C(=O)c1ccccc1C2=O 586189182 ATKXHGADJFFMTB-UHFFFAOYSA-N 451.519 4.738 10 10 JJCE C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 1087704561 LKOVRSZNLJWELM-NKYNIRLISA-N 450.538 4.969 10 10 JJCE COCCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614472868 PMHSEEPGZMFGAV-ATIYNZHBSA-N 476.617 4.879 10 10 JJCE Cc1cc(OCCCC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc(C)c1Cl 1865936199 YFHBQJYUPXSQLY-DEOSSOPVSA-N 455.002 4.821 10 10 JJCE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866968348 INWRDKJDHYBZAY-QHCPKHFHSA-N 486.543 4.874 10 10 JJCE Cc1ccc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1868140012 GYENUWQNFOYKGL-DEOSSOPVSA-N 480.564 4.717 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(C3CCCCC3)C2=O)cc1 1873163993 HBLQIZBJFWAJPH-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873167908 CJQHIWSSESKHLR-GOSISDBHSA-N 481.600 4.681 10 10 JJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 2193231250 GZXXHSOQTFWYMP-WBVHZDCISA-N 463.725 4.961 10 10 JJCE CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 2296800587 HKNIJQZPPOELLE-UHFFFAOYSA-N 469.563 4.907 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)ccc1O 2297347887 PSYLASZJPJFULA-UHFFFAOYSA-N 459.458 4.542 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314487282 HNAQPQPPFXTIFN-UHFFFAOYSA-N 452.517 4.789 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 2314827703 KNOUVYBFNWORIN-UHFFFAOYSA-N 481.382 4.922 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 2314836622 HOEYSIQBCNBQQL-LBPRGKRZSA-N 462.980 4.673 10 10 JJCE CCOc1ccccc1N1C(=O)/C(=C\c2cc(O)c(OC)cc2Br)SC1=S 9634111 BDUIPPACMNYWQM-RQZCQDPDSA-N 466.378 4.968 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 20356486 XQWNDTCQBQJCGI-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 33373187 CHHVAXOEXIITSU-XDJHFCHBSA-N 454.573 4.785 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 33417328 DJWOYEKRQIJJAG-UXMLFEQVSA-N 452.511 4.833 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33807231 WZWIILGYWOTALY-CPNJWEJPSA-N 482.606 4.755 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CNc3ccccc3Br)C2=O)c(OC)c1 59372196 ATDZDMQTHOHXFW-RQZCQDPDSA-N 465.394 4.737 10 10 JJCE C[C@H](Oc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1)c1ccccc1 97478417 GVRBVSBMIHAPDG-KNBAFCJDSA-N 453.527 4.889 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526552759 QZJHWUVSGBFBFH-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084214088 IUWMCBRVQCQGOT-GRSHGNNSSA-N 498.322 4.766 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C3CCC3)C2)sc(C)c1-c1ccccc1 1860661794 QUAHOSZUGRGOGX-LJQANCHMSA-N 454.592 4.877 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)c1O 1865671747 BGCGHDPSMSKACN-ZSOIEALJSA-N 455.230 4.820 10 10 JJCE O=C(O)CC1([C@@H](Cc2ccc(O)c(O)c2)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1952559478 KVQUYRQDTIBIOE-RUZDIDTESA-N 473.525 4.803 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2079034505 NNLUCNSTMGSGRK-KRWDZBQOSA-N 454.352 4.681 10 10 JJCE CCc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)c1 2293191905 COCXREOLXAXLMZ-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE CCN(Cc1ccccc1)C(=O)CCCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2297349391 NQBXLKZJNSMKQE-UHFFFAOYSA-N 484.643 4.734 10 10 JJCE COc1ccc(C(=O)Oc2ccccc2C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 2297625044 LJDOXTIQVRNGIK-UHFFFAOYSA-N 457.442 4.629 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 2313558724 IGDXPVKQADBYQE-UHFFFAOYSA-N 476.529 4.635 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2215501 USCHEGWTLRUPFS-HBBMIWKISA-N 458.470 4.825 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S 16922792 SDYKOQOKDQOAIV-PDGQHHTCSA-N 478.542 4.922 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 33377867 RDYPDWLPBWNRRG-SGEFVQMOSA-N 463.964 4.602 10 10 JJCE Cc1cc(I)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1O 33533342 MNOWHZBOSQFZJC-ZROIWOOFSA-N 459.374 4.839 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@@H](C)C3)SC2=S)cc1 39989557 JHOCFLRHTZLNTO-MTEVNVADSA-N 492.670 4.512 10 10 JJCE CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)C(O)=NC1=S 59182230 VKXIRPBKGDOZNH-LZYBPNLTSA-N 472.339 4.688 10 10 JJCE O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 103374371 YRAYZWGBGGOQNG-RIYZIHGNSA-N 466.294 4.671 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526301260 BVZZNSRBYVZIFJ-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526369357 WOKOXLZIEVFLHE-QHCPKHFHSA-N 496.947 4.892 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 526525279 DMKVAXQRUSDMHD-QFIPXVFZSA-N 465.889 4.985 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC[C@H]1CC 1705574850 OZXCNGSKAQMNAG-RUZDIDTESA-N 468.649 4.690 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CC[C@@H](C)C2 1866258514 AZDLXGHMFBFYPZ-HIFRSBDPSA-N 497.642 4.959 10 10 JJCE Cc1cc(O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2c3c(c(=O)oc2c1)CCC3 1874017350 PGMJKIYBXDRPOY-MRXNPFEDSA-N 493.515 4.772 10 10 JJCE Cc1noc(CSC2=NC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccc(OC(F)F)cc2)n1 2040500009 VAFVRVBBODFUEV-UHFFFAOYSA-N 485.516 4.723 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(CN)c2I)C(C)(C)C)c(O)c1 2079014321 ZXQARSFNIKNQMV-GOSISDBHSA-N 453.368 4.863 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(C=O)c2I)cc1C 2079979127 LMJFUPBLDDHZMK-IBGZPJMESA-N 450.320 4.890 10 10 JJCE Nc1ccc(CC(=O)Nc2cc(Br)c(Br)c(Br)c2)cc1 2151785415 WYFNIZCEZPZSMI-UHFFFAOYSA-N 462.967 4.738 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc(N)c2C1 2163346444 ZPHHESRGYIEPRT-NDEPHWFRSA-N 462.638 4.664 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)cc1 2294208523 ROLPJJZLLZKITC-UHFFFAOYSA-N 459.571 4.633 10 10 JJCE COc1ccc(I)cc1C=C1SC(=S)N(Cc2ccccc2)C1=O 2297365909 BZPBZDJKIUGZMC-UHFFFAOYSA-N 467.353 4.701 10 10 JJCE CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)cc1 8602833 FZULMULSPNFZLU-UHFFFAOYSA-N 486.641 4.927 10 10 JJCE COc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OC(F)F 11915608 KCUPQEXTECPBCC-UHFFFAOYSA-N 459.449 4.585 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15039948 ZKXTZGGPPFOZSI-STZFKDTASA-N 493.610 4.965 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 54201757 VZXCZFGJSDYAEB-JWQCQUIFSA-N 497.624 4.931 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 208739765 DUYFVCBHCPJEEL-LDADJPATSA-N 469.613 4.843 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(O)c(O)c2)c1OC 526205136 XLWFAUAMSSANLQ-NRFANRHFSA-N 471.868 4.965 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526327523 HKYGNZXZLVZAGT-VWLOTQADSA-N 493.512 4.580 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCN(c2ccc(Cl)cc2)CC1 918618872 CGRFUHALBXFBOU-XDJHFCHBSA-N 492.091 4.732 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCc5ccccc5C4)c4ccccc34)[C@H]21 1860344744 COXLASNHKYYKFW-PMERELPUSA-N 490.607 4.763 10 10 JJCE CCc1nc2ccc(NC(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)cc2[nH]1 1860345264 YHSWYRDXBYLHIR-UHFFFAOYSA-N 488.551 4.652 10 10 JJCE CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)sc2C1 1860746196 YXSIIKJBKKAWKO-AWEZNQCLSA-N 487.581 4.647 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865030703 OXWJVKACUQDRKQ-QFIPXVFZSA-N 484.641 4.780 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1OC 1865675704 WCNHRMDMKGOVPW-XQNSMLJCSA-N 479.577 4.537 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424266 MYMQCWLBLWDBHW-INIZCTEOSA-N 458.518 4.993 10 10 JJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951856530 QEXZZHCMGFKVLU-QHCPKHFHSA-N 476.485 4.991 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(Cc4ccccc4)CC(F)(F)C3)ccc(N)c2C1 2149552225 OHHRTDKPYBYNIW-UHFFFAOYSA-N 472.580 4.520 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)c3cscc3Br)cc2)CC1 2286067944 HFVDOIUTEBJHCC-SFHVURJKSA-N 452.418 4.616 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 2297335270 UOISZDPBQMEFBP-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Br 2313549329 SZODCLRAJZGMNF-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE CCn1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c2ccccc21 2313549348 UFPMUTOEAQQEDA-UHFFFAOYSA-N 466.335 4.707 10 10 JJCE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)cc1 20356535 BFUIEZAMUCWGBM-FNKNWIJASA-N 476.606 4.555 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)cc1 33584126 OWIKFVWDGAKKPX-QURGRASLSA-N 480.611 4.758 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865028716 YQKUPRGDSGWVPE-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE CCCN1N=C(c2ccccc2)/C(=C/c2cc(Br)cc(Br)c2O)C1=O 1865672457 DZANRNLSAIQBSJ-GDNBJRDFSA-N 464.157 4.957 10 10 JJCE COC(=O)c1ccc(/C=C2/C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccc(OC)cc2)cc1 1865675557 NQNYVECMFKSHME-PCLIKHOPSA-N 454.526 4.929 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3N=C(C(C)(C)C)CC3=O)cc2)N2CCCCC2)cc1 1866183733 NLRUZJYCTRDHJY-VWLOTQADSA-N 489.664 4.848 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](C)C(=O)OCC)sc(C)c1-c1ccc(Br)cc1 1866267112 BPIYGPFPZHNKFH-NSHDSACASA-N 468.369 4.800 10 10 JJCE CCCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852301 IYTRMVVBGGRBJX-FTJBHMTQSA-N 482.644 4.524 10 10 JJCE CCC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868731698 OQGIBGHOUYMHQF-AREMUKBSSA-N 479.665 4.695 10 10 JJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H](Oc3ccccc3)C2)n1 1869232579 RHSWWGGTMKHPPB-AREMUKBSSA-N 487.648 4.812 10 10 JJCE COC(=O)COc1cn(CCc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871199 ZOZYSXVDEFQINJ-UHFFFAOYSA-N 483.568 4.999 10 10 JJCE CCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871503755 VEQCBEFRTICBHB-UHFFFAOYSA-N 475.641 4.708 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419239 VZJFQCUBVCNVAT-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(Cl)cc(Br)c1O 1952859709 BESHIBLWATVDME-XJKSGUPXSA-N 454.704 4.593 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](CC)c2ccc(C)cc2O)c1I 2079021876 BIACLWUCZBUOFS-CQSZACIVSA-N 468.335 4.729 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCOCCOc3ccccc3C)c(OC)c2)SC1=S 2293374384 ZJFNXNZLYXANTC-UHFFFAOYSA-N 473.616 4.699 10 10 JJCE N=C1C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2293394388 KIABEGSUFYLNGK-UHFFFAOYSA-N 494.882 4.979 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 2297296494 GOJAWZVVJGTGLS-UHFFFAOYSA-N 457.269 4.501 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 2297324653 CCIKHXAXHNIHDA-UHFFFAOYSA-N 474.256 4.632 10 10 JJCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2297334354 OKEFXTSIYZRYRS-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)S2)CC1 2297468279 SZKDWADIJQMOTQ-UHFFFAOYSA-N 450.560 4.511 10 10 JJCE Cc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)NC1=S 2313545837 JICULYPSYDKNNL-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)SC1=S 2986430 WOQBEBFDTWUJOL-GZTJUZNOSA-N 451.411 4.704 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461206 LBNVVMJNQACTNQ-ZWWNWMABSA-N 457.368 4.748 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N2O1 20236804 HGMNKFQNXIRLAX-JIGGIXHTSA-N 451.910 4.865 10 10 JJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 33473094 WFJAOLDADSYRKA-HYARGMPZSA-N 492.670 4.686 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808842 LYCKJXVKPYUXDZ-HMMYKYKNSA-N 450.589 4.562 10 10 JJCE C=CCN(CC=C)CN1C(=O)/C(=C2/SC(=S)N(c3ccccc3C)C2=O)c2ccccc21 35175245 ZBSJADYCSGDSOM-QURGRASLSA-N 461.612 4.749 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1 38732323 KCZHBYFJJHKHJK-HMAPJEAMSA-N 479.602 4.920 10 10 JJCE O=C1C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 101973965 FNOAYGKKBUKBJS-HVVQPJKBSA-N 496.919 4.892 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2 226724672 BHSFQANEFHCRNR-YVHKJVDXSA-N 457.368 4.748 10 10 JJCE CCOc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347195 BHKHDKZXVDFINE-MUUNZHRXSA-N 480.568 4.826 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(C)cc2)sc(C)c1-c1ccc(F)cc1 1860758597 IVCMBLQFJJKAPQ-UHFFFAOYSA-N 454.523 4.603 10 10 JJCE C[C@@H](NC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)C1CCCCC1 1866249415 DTUHVXPZKQOHNP-ATIYNZHBSA-N 470.702 4.651 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168560 ZPPPDSIBOCJNFD-JOCHJYFZSA-N 471.601 4.950 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(F)cc4F)cc3)CC2)cc1 1874747432 IPRIFIZOIHWRDX-UHFFFAOYSA-N 480.511 4.588 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(Cc2ccccc2)C2(CCC2)C1 2194937067 HGTPSNFWUOADMW-NDEPHWFRSA-N 464.654 4.674 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1C 2296729505 SHRSYRMPVYGEIF-UHFFFAOYSA-N 488.613 4.939 10 10 JJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(C(C)C)C2=O)CC1 2314647599 FBUOOGVMFIOIGX-UHFFFAOYSA-N 483.659 4.932 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccccc2Br)SC1=S 2321635438 IIGYFUKWIFUVRG-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCCCOCCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323744108 YLIGCKKRNWOYLR-UHFFFAOYSA-N 460.415 4.571 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CNc2ccccc2)c2ccccc12 13572422 IDNAHYRVBUHDDL-XPRKOMQSSA-N 450.542 4.920 10 10 JJCE COc1cccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)c1 27531776 PMPYYKWMVLQCGM-WOJGMQOQSA-N 480.405 4.747 10 10 JJCE O=C1/C(=C\c2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33473038 QGJBIBKWNGVHBE-HMMYKYKNSA-N 494.617 4.615 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)c1O 36551240 BTXSYNVSALDCOG-CUVVAGTFSA-N 474.582 4.979 10 10 JJCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694750 QIOKUZQLHPCTOR-UHFFFAOYSA-N 497.636 4.546 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 65023257 ZEEURZHEOSVWOB-JOCHJYFZSA-N 461.585 4.662 10 10 JJCE COc1ccc(Br)cc1NC(=O)N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C 101112603 SHUDODVTOYITNI-WJDWOHSUSA-N 457.328 4.503 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226692125 NKTBKHHHPLFBEN-JLHGSKIFSA-N 459.955 4.859 10 10 JJCE Cc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1084077591 XAQWLMLOBMOBCQ-MOSHPQCFSA-N 478.346 4.831 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1858151392 CHXGVVMQPVFDQH-VWLOTQADSA-N 478.564 4.722 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C4CC4)n4cc(-c5ccccc5)ccc34)CC2)cc1 1858206583 VIMYARXHSLBINS-UHFFFAOYSA-N 452.558 4.850 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)sc(C)c1-c1ccccc1 1860650583 FARUQRBXABWJJE-GOSISDBHSA-N 466.559 4.984 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)cc2)c1 1860921416 XNPBXBKWBIHNKW-OVCLIPMQSA-N 472.564 4.506 10 10 JJCE CC[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866970555 BRCVGSQTXZRLSH-UPVQGACJSA-N 486.543 4.874 10 10 JJCE COc1ccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1OC 1871278959 DGDIEMYOMYZQMC-UHFFFAOYSA-N 484.533 4.784 10 10 JJCE CCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164021 IJDSKAFVMWBSNR-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079037740 OEQPTODUKSAEFC-ZDUSSCGKSA-N 480.224 4.608 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 2293544153 SELLZQMLHZYOKK-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4CC)c3C)C2=O)c1 2294095448 RJTNPYRCVFOENS-UHFFFAOYSA-N 457.530 4.722 10 10 JJCE Cc1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 2296923891 FGDKHBDZLPJQRM-UHFFFAOYSA-N 477.948 4.812 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C 2297511163 DOVLZKJTLDKJJC-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE CCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329551110 DIMCJEWEFMHQTG-MUUNZHRXSA-N 489.660 4.739 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccccc3)C2=O)cc1 2889682 PFPXGWLQBSFKBI-OQKWZONESA-N 458.470 4.660 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468577 SYSWAMAKDPHWER-GLDPYIMESA-N 470.591 4.524 10 10 JJCE COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc5nsnc45)cc3)sc2c1 33169194 JGVYBYFCYTZDEZ-UHFFFAOYSA-N 454.558 4.777 10 10 JJCE CN(C)c1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 33333135 WMMSFWJVKVXICM-ZHZULCJRSA-N 495.402 4.977 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 33334718 TZCKZKUVQUHKOH-WCWDXBQESA-N 499.617 4.752 10 10 JJCE Cc1cccc(C)c1OCCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33744152 LKTKLWKXINNAJM-ULJHMMPZSA-N 451.526 4.799 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413686 RBLKBAPGBAVEHE-DHIUTWEWSA-N 472.570 4.530 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 96462399 ZEUOPEVPMZWJPU-GZTJUZNOSA-N 466.837 4.554 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 206459687 MABPHUWMRHVNCE-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526633514 ULRUZTLTIBFXDG-XMMPIXPASA-N 493.512 4.580 10 10 JJCE C[C@@H](O)CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858587245 YUGYZIVAWDHTDP-VRCTWVPOSA-N 473.019 4.956 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)c1 1860073569 RVTHQSIXRWBBFN-RIYZIHGNSA-N 453.419 4.508 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1862374585 UEYZIQHVDHGVRA-UHFFFAOYSA-N 470.548 4.958 10 10 JJCE CC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867664276 JIOBVPRXZWVQLQ-IZLXSDGUSA-N 486.660 4.758 10 10 JJCE CCCC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684940 YKGCFDQXRRTPLE-CJFMBICVSA-N 486.056 4.866 10 10 JJCE CCOC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871145529 OBFMDOFYHWCKFL-UHFFFAOYSA-N 484.556 4.589 10 10 JJCE CCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871552501 FYRHLTXMBLHSRH-UHFFFAOYSA-N 489.668 4.882 10 10 JJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(I)c1C(F)(F)F 2079674007 NGOHCNQOLKBDHX-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163164337 DUJMHUNVDLRBKM-GOSISDBHSA-N 474.646 4.645 10 10 JJCE Oc1c(Br)cc(Cl)cc1CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2193231246 GZXXHSOQTFWYMP-RDJZCZTQSA-N 463.725 4.961 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 2293559201 NXCLGXZQZWWGOM-UHFFFAOYSA-N 450.379 4.868 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c1 2294143834 MUTIBWFPSLEPER-UHFFFAOYSA-N 476.510 4.937 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1 2296754960 WVCYZFRGXWEKNW-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE CCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314415102 XQZFNVVGPRAUOC-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314939423 QVWRFPAFDPDPKE-FQEVSTJZSA-N 480.523 4.970 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)N(C)C)cc1 2318684196 TWJUFIDSFTUFBC-SFHVURJKSA-N 477.449 4.962 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2533724 VQHRIWJJGHIWFW-ISLYRVAYSA-N 497.480 4.984 10 10 JJCE Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C2)cc1 33168754 YOWFGNHGHFZCJB-OAQYLSRUSA-N 461.635 4.535 10 10 JJCE CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 53364152 KXUOCGXHWTUTEN-ZEQKJWHPSA-N 460.530 4.809 10 10 JJCE COc1ccc(N2CCC(NC(=O)[C@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1 110359472 YYXDNYHXRBWWPT-RUZDIDTESA-N 465.638 4.532 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1 1860345037 PJAPRNVYLOMKTN-UHFFFAOYSA-N 479.496 4.511 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1865875347 RNOHRBNGOUYLEG-OLGWKDBVSA-N 496.655 4.867 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873165882 VAANDXVLNDMEKD-NRFANRHFSA-N 457.574 4.561 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168095 IWKHGHQWOQONJZ-XMMPIXPASA-N 461.606 4.665 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873170361 WUEKJFNRIYRTFK-UHFFFAOYSA-N 451.611 4.626 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419212 UTUWTCIGLYGGNF-IBGZPJMESA-N 495.501 4.882 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079843337 FNTMHSNKNHHNHB-KRWDZBQOSA-N 451.361 4.833 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 2296714407 WIVRAFHEACASNV-UHFFFAOYSA-N 483.453 4.594 10 10 JJCE Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)C(=Cc4ccco4)SC3=S)s2)cc1 2296885384 RQSULNXJZYYBTB-UHFFFAOYSA-N 469.613 4.865 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC 2297349560 MIWQZUQOISIOGL-UHFFFAOYSA-N 484.599 4.527 10 10 JJCE CCSC1=NN2C(=N)C(=Cc3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 2297499555 LUWHWCRBYAIHKC-UHFFFAOYSA-N 489.582 4.748 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S 2314770111 ZIVSSYZDZVEUIZ-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2314831008 AJCWSBAYAAXEMF-UHFFFAOYSA-N 483.055 4.863 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471738 MCQFLKVBDSIDTP-IMSXRSKXSA-N 453.564 4.842 10 10 JJCE COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(O)=NC1=S 33404363 BLALVMDCWCIMBD-UYRXBGFRSA-N 489.553 4.781 10 10 JJCE COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O 33442203 DKIGHGVUMOKQEI-PTNGSMBKSA-N 492.384 4.510 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 39835927 RQUNVOMHTKIHCH-CPNJWEJPSA-N 465.600 4.967 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 40938396 WIUZGRWKQPVQEB-DEDYPNTBSA-N 457.573 4.649 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 40940098 YRYANUHKXLUPIJ-WQRHYEAKSA-N 462.980 4.684 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1Br 59198310 HKKPVQWTFUVCGJ-QPEQYQDCSA-N 480.112 4.727 10 10 JJCE Cc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C2CC2)c1 96774266 NTVHFOOGEOBLML-UHFFFAOYSA-N 495.579 4.511 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526212820 DHTTYDVKDYWYAD-VWLOTQADSA-N 477.513 4.961 10 10 JJCE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)cc1 1705630860 JILUDEVDYZSVNJ-CLJLJLNGSA-N 493.696 4.567 10 10 JJCE CCN1CCc2nc3ccc(F)cc3c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1 1859616440 IIDUCCHXYFJGJS-UHFFFAOYSA-N 479.511 4.780 10 10 JJCE CCCCc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OCC)CCC4)CC2=O)cc1 1865922545 SUZVJLWLVDTFDO-QGZVFWFLSA-N 454.592 4.748 10 10 JJCE CCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839829 RKQOJUKSHIVHAI-IZZNHLLZSA-N 482.644 4.524 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccc(Cl)cc1 1873938282 USGDBSXWTCROSH-UHFFFAOYSA-N 482.971 4.587 10 10 JJCE CC[C@@H](C)OC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874000070 RECPPXRVFBNAGS-MRXNPFEDSA-N 466.493 4.922 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NCc3cc(Cl)cc(Br)c3O)C(C)(C)[C@@H]21 2175900741 IXPSIUZYQHKAES-XOKHGSTOSA-N 459.812 4.932 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1Cl 2296053662 ZJECTHKDINSWPP-UHFFFAOYSA-N 481.965 4.540 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 2296567494 AXQYLURZSIUZBQ-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc(I)c1O 2297296573 GLOQNNFAOYOKCO-UHFFFAOYSA-N 482.705 4.855 10 10 JJCE CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313547854 DQUWPMSCSZRPRF-UHFFFAOYSA-N 463.715 4.558 10 10 JJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)o2)cc1 2313548814 GIQQSJSPKNJPRU-UHFFFAOYSA-N 487.493 4.645 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O 2313557125 UWDUNBQHAPBXHO-UHFFFAOYSA-N 472.541 4.535 10 10 JJCE O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c1 2314650433 GQRYDHBLAMZYNT-IBGZPJMESA-N 465.508 4.672 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 15044818 ICYPZTJQZMJQPI-ZXTVHIMQSA-N 474.648 4.766 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(CC)c1 20235979 HGXVMWQISKNKHU-QYPRPECVSA-N 475.545 4.864 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 20236472 KFKYTKGEZBABIB-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 33924331 YNFDAXPAVKAYGJ-XSFVSMFZSA-N 495.651 4.973 10 10 JJCE Oc1cccc(CNc2c(Br)cc(Br)cc2Br)c1O 41116761 RZJILHROERUHAL-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE COc1cccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)c1 65298125 BJMLSHZGPQPRNA-JOCHJYFZSA-N 472.427 4.888 10 10 JJCE biogenic Cc1cccc(OCCn2cccc2/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1 102446381 NZQDZJICEMLIBZ-ONWPUYBOSA-N 475.599 4.799 10 10 JJCE O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 102834333 XLGSRECMVMZQLM-KEBDBYFISA-N 466.496 4.985 10 10 JJCE Cc1nc2c(cc(OCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c3ccsc32)s1 109181223 CVPIQPGYSHYUCE-HNNXBMFYSA-N 467.616 4.912 10 10 JJCE CCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206469032 OILPMTWDGZPPHB-CJLVFECKSA-N 485.627 4.861 10 10 JJCE CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2)cc1 1293928232 CDSBTSKABHMYCZ-UHFFFAOYSA-N 458.558 4.820 10 10 JJCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705811685 IPXKMXCEOHACLS-PZJWPPBQSA-N 469.655 4.577 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)N(C)C)cc1 1858593943 FEIHCFIGLCPVTH-FFCJBUTOSA-N 467.616 4.689 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc(O)c4)c4ccccc34)[C@@H]21 1860344726 BMYGTVNYLBGPFZ-HHHXNRCGSA-N 466.541 4.523 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)sc(C)c1-c1ccc(C)cc1 1860748659 GJYNRTKHCSRPKY-UHFFFAOYSA-N 450.516 4.598 10 10 JJCE C[C@@H](NC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)C1CCCCC1 1866249417 DTUHVXPZKQOHNP-GJZUVCINSA-N 470.702 4.651 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080029711 CBYQDPDJXLMOPF-GOSISDBHSA-N 467.395 4.956 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c1 2225801002 RNBRCHMSCFSRBG-KGLIPLIRSA-N 471.299 4.599 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc(C)c1 2296537457 OALOOMXFNNQLRV-GOSISDBHSA-N 469.584 4.603 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1C 2296556391 XDBJFOKJJUAEFO-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 2296650844 UQLYWSDUMHKLLF-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccccc2OC)cc1 2313682374 BEAXDFZQBUCPPG-UHFFFAOYSA-N 457.530 4.527 10 10 JJCE O=C1/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2203341 HXCAWKCTXGALOJ-QGOAFFKASA-N 477.592 4.840 10 10 JJCE CN(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc3ccccc3c2)cc1 8614979 ADIVPSCXLHVBJZ-UHFFFAOYSA-N 473.558 4.606 10 10 JJCE aggregator CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)SC1=S 9634108 QUGSCORLQJUNRU-DEDYPNTBSA-N 457.573 4.672 10 10 JJCE CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 16915057 UFZDMPRZLNNDEN-DEDYPNTBSA-N 457.573 4.907 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 25759742 ZDTNJPNRJLWBHN-XSFVSMFZSA-N 478.643 4.925 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(OCc2ccccc2)cc1 33665983 FYOZBRPOSFWEHP-KGENOOAVSA-N 464.543 4.951 10 10 JJCE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39991283 MXGBOQKAUWPQPP-ZHZULCJRSA-N 472.680 4.819 10 10 JJCE CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)OC2CCCCC2)C1=O 40888834 JRYLRMGSGFSUTH-BOPFTXTBSA-N 484.437 4.925 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccc(Br)cc1 40940397 OMZICHXYCBJQJF-NTEUORMPSA-N 453.770 4.649 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1C 206828446 GKPMQGKFOBYXMY-DEDYPNTBSA-N 457.573 4.649 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526228021 XOJSENBVJLEKRY-SANMLTNESA-N 490.556 4.844 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526333823 RGHDVVAYOAMTLZ-RUZDIDTESA-N 457.530 4.777 10 10 JJCE CC(C)c1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344924 HUMGILUTIRIGBW-UHFFFAOYSA-N 484.585 4.578 10 10 JJCE O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 2054348544 JFSANVLFQAQBQF-UHFFFAOYSA-N 453.873 4.723 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079039118 CXQTWYMYDACMTP-AWEZNQCLSA-N 468.257 4.648 10 10 JJCE Oc1cccc(Br)c1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079831326 GLDVHEYTRBSOOG-UHFFFAOYSA-N 487.057 4.900 10 10 JJCE CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O 2296777092 CVIWTVCEWWJYOO-UHFFFAOYSA-N 465.509 4.755 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1C=C1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 2297459881 OUXWTWPSTPEDQR-UHFFFAOYSA-N 476.360 4.704 10 10 JJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314836444 FJNIKWUAPCFTOU-AWEZNQCLSA-N 451.573 4.795 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 2314837881 XXFXVSFUBLIFPG-UHFFFAOYSA-N 477.633 4.648 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 2314937080 IAGBXULMIZJKBF-UHFFFAOYSA-N 464.515 4.614 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226797350 CKVUOQPROUORLE-YDIMBITNSA-N 472.607 4.569 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526145884 XPRJFROIZFQEMJ-RUZDIDTESA-N 460.530 4.836 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526333825 RGHDVVAYOAMTLZ-VWLOTQADSA-N 457.530 4.777 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526478506 UPRGDKWCPZCOFK-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CC(C)[C@H](C(=O)NC(C)(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156746 BYWRTOQZGATABY-YVGNARHYSA-N 455.443 4.590 10 10 JJCE CCCc1cc(=O)oc2c(CN(CCOC)C[C@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12 1565538646 MWTMOGWXWUTECU-XXBNENTESA-N 477.045 4.817 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1O 1645927549 YOFVNXLTHQGVEB-PKTZIBPZSA-N 456.970 4.775 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858591608 UKBWGUDLRHCWAM-WTWVRAIASA-N 484.780 4.835 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccccc1 1860655374 OIRDOYKBQDQBGV-OAHLLOKOSA-N 468.497 4.640 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 1865675319 AUUXXSOZIUYNRS-XQNSMLJCSA-N 463.578 4.837 10 10 JJCE CCOC(=O)c1c(NC(=O)c2cncc(N)c2)sc(C)c1-c1ccc(Br)cc1 1866002814 WYASPFQCCJZPIP-UHFFFAOYSA-N 460.353 4.892 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3cc(Br)ccc3n2)N2CCCCC2)cc1 1866167044 MWABAZKTJULABX-VWLOTQADSA-N 495.465 4.949 10 10 JJCE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868708729 UVVZIUSPUQQZEV-SXOMAYOGSA-N 497.655 4.988 10 10 JJCE COc1ccccc1CN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164292 URGJNFRJAKBVAL-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179662 JXBBJSNUMFNTHC-OAHLLOKOSA-N 467.477 4.537 10 10 JJCE C[C@@H](CC(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951829274 IBFMETDBMUQPSI-HJPURHCSSA-N 461.514 4.658 10 10 JJCE COc1cccc(O)c1[C@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952819942 BFQANQJHJLOJRG-NBGIEHNGSA-N 459.498 4.798 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(N)c2I)C2(C)CC2)cc1C 2080012619 RIAMFSPCIRENQC-QGZVFWFLSA-N 451.352 4.833 10 10 JJCE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2106868903 ZGSJWPLPOANJKW-OWAUWMPXSA-N 453.627 4.828 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 2296939466 GOCHJNQQZZMESN-UHFFFAOYSA-N 467.594 4.779 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)NC4CCCCC4)C3=O)o2)cc1 2297576611 UWBNVGVYHRPJQS-UHFFFAOYSA-N 499.614 4.871 10 10 JJCE Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)c1 2297624574 DEWGWRJNOASKBM-UHFFFAOYSA-N 458.561 4.973 10 10 JJCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2313558304 XKXJEWOKBYHXRS-UHFFFAOYSA-N 451.885 4.861 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCc2ccc3c(c2)OCO3)cc1 2313683208 UMDOOARBRLFQLJ-UHFFFAOYSA-N 498.564 4.848 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 2314828160 QXWWXOOTFMVFAC-UHFFFAOYSA-N 453.545 4.771 10 10 JJCE CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 96878849 SZFCQBDGJGFGEX-MVMZHWFQSA-N 466.924 4.819 10 10 JJCE CCCc1nn2c(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470280 WDSSBYJHAIULDF-XQEFGFRCSA-N 489.508 4.592 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 250497793 BOOGIWHRPRVMLW-LIXUUISPSA-N 476.598 4.829 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526282050 JHSXAVQWZCTCSL-VWLOTQADSA-N 470.529 4.703 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526432543 KOKBBZAYIKRVEE-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)c(O)c1 526480276 UEUAPTBFFFIVIV-VWLOTQADSA-N 489.524 4.976 10 10 JJCE O=C(NCc1ccco1)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586609730 KZZFXKDNCMJYIT-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE O=C(Nc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586719454 WMMNBMDECYDCOP-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084377181 LPTAOGWKKUGTKB-MHWRWJLKSA-N 472.240 4.828 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(F)(F)F)[C@@H](C)C1 1359384443 YXZIUIGCIYVWEY-SFHVURJKSA-N 488.558 4.752 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)N2CCCCC2)cc1 1858074588 NEIRHJQKISRSSA-OAQYLSRUSA-N 450.410 4.782 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)c2)c1 1860860754 SDIUSFCGNIONAR-UHFFFAOYSA-N 465.557 4.932 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865028181 RGMIWRGXHJYARG-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE COc1ccc(-c2cn3c(CC(=O)NCc4ccc(N5C[C@H]6CC[C@H]5C6)cc4)csc3n2)cc1 1891726691 WHYSMSUMDPKWEL-UGKGYDQZSA-N 472.614 4.919 10 10 JJCE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c1 2040526835 PFLKGJPNYJEFMY-UHFFFAOYSA-N 474.586 4.631 10 10 JJCE Oc1cccc(Br)c1Cn1ncc(-c2ccccc2)c1I 2070261197 RXGGVGSSSKXLJM-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(c2cccc(Cl)c2)N=C1C 2297453036 KPKLQNKOQWILSR-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE O=C1C(=CN2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1cccc(C(F)(F)F)c1 2313609444 IHIYOCIBANPUFQ-UHFFFAOYSA-N 467.513 4.873 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 2313652931 LOAIOLALUPRTFY-UHFFFAOYSA-N 454.356 4.858 10 10 JJCE COc1ccc(CCN2C(=O)C(=CC3=Cc4cccc(OC)c4O[C@@H]3C)SC2=S)cc1 2314450637 IVJRYHGVEMEYJB-OAHLLOKOSA-N 453.585 4.855 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836208 BMEHXZPXNJUQNL-CYBMUJFWSA-N 461.406 4.986 10 10 JJCE Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 15034459 BEQTVCUXUVSOHF-QNGOZBTKSA-N 498.626 4.859 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccccc2)o1 33424396 HYBCHEUJDAIENQ-JWGURIENSA-N 460.515 4.647 10 10 JJCE O=C1/C(=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2N1CN1CCCCC1 33581202 WQMHAQDVHIZSSK-VXPUYCOJSA-N 470.019 4.906 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 33656042 RWXDQNFIWCBIHO-JKGLIZDUSA-N 487.497 4.861 10 10 JJCE CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)COc2cccc3ccccc23)cc1 39919996 JUGLJPYNTRRBTB-HHHXNRCGSA-N 466.541 4.583 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526284748 SFJPYGKEUSAWAL-VWLOTQADSA-N 487.512 4.829 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867110868 KZYJZLOIMMUECE-PBYQXAPXSA-N 498.579 4.888 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(C)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987099 GUNKDUALGLZWNY-UHFFFAOYSA-N 461.585 4.854 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425397 WWUQJHYUACYWCN-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc(F)c4)c4ccccc34)[C@H]21 1873860075 PDGAIFNHIDKGEG-SANMLTNESA-N 454.505 4.566 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1 1874756358 VKTUHGFZXQRZAG-UHFFFAOYSA-N 479.527 4.621 10 10 JJCE COc1cccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1952819291 SYTUYVYSBQUZMU-XUZZJYLKSA-N 459.498 4.798 10 10 JJCE COc1ccc2cc(C(=O)Oc3ccccc3C=C3SC(=O)NC3=S)sc(=O)c2c1OC 2040464559 RRDZSGXIJHWSGI-UHFFFAOYSA-N 485.564 4.623 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 2293547253 ZNISOIXEKPLITL-UHFFFAOYSA-N 497.619 4.864 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 2294229130 XVBVSRMIWGWZGX-UHFFFAOYSA-N 480.929 4.608 10 10 JJCE Cc1c(N2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 2296657825 ZUNLWBKKTBRQGO-UHFFFAOYSA-N 459.955 4.683 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)c(C)c1 2296712315 XTCPGJGNSJOIPO-UHFFFAOYSA-N 479.627 4.516 10 10 JJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)c2C)cc1 2297352564 BFUIEZAMUCWGBM-UHFFFAOYSA-N 476.606 4.555 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1O[C@H](CC)C(=O)O 2314936289 WPLDKAJUTNLCPB-MRXNPFEDSA-N 473.572 4.742 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1 14473392 XBTSUDPRLRRESF-LZNNFJEDSA-N 489.981 4.532 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 16227715 POZWRNUQHYMXPK-GXDHUFHOSA-N 474.256 4.632 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 103040747 PYGXELXIRWJMQX-DJKKODMXSA-N 473.982 4.521 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 104253113 FEPPJLIFJBHBND-CLDIJKNTSA-N 474.947 4.615 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 206228410 VGNVKNCMWTYLHI-XSFVSMFZSA-N 471.604 4.596 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526154967 BLAFHHYBTJKCAY-OAQYLSRUSA-N 498.329 4.935 10 10 JJCE CCN(CC)c1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313279 IJJCYVLVLXGUSJ-RUZDIDTESA-N 491.613 4.546 10 10 JJCE COc1ccc(C)cc1C1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCOCC1 726239965 AWSPKTNNGVYGQD-UHFFFAOYSA-N 464.562 4.762 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)c(C)c1 1860749249 ZTPQUYUSVIFFGV-UHFFFAOYSA-N 467.503 4.612 10 10 JJCE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685662 GGNCCQFVPPLKLF-KAYWLYCHSA-N 477.649 4.603 10 10 JJCE CCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167324 AYMVPSBEFQKVSM-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079985488 OADBTWABJDXJNC-GOSISDBHSA-N 498.361 4.892 10 10 JJCE CCCCN1C(=O)C(=Cc2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S 2296846610 DUSJEQQSAQRZJF-UHFFFAOYSA-N 458.653 4.631 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)cc(Cl)c1 2297299539 KJQFKRXRKQUOFD-UHFFFAOYSA-N 481.382 4.952 10 10 JJCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)cc1 2297314567 LOBGMZACVANQQZ-UHFFFAOYSA-N 469.950 4.973 10 10 JJCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837094 ODOFHXOMHKUXGK-LLVKDONJSA-N 492.376 4.586 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c(Cl)cccc2Cl)N3)CC1 14546738 KEQMGSLSEAZXFF-YGKZAACZSA-N 478.445 4.756 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NCCc3ccccc3)nc12 33723225 STGBZYQQFHEBRM-PGMHBOJBSA-N 490.654 4.801 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808843 LYCKJXVKPYUXDZ-HKWRFOASSA-N 450.589 4.562 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 34262943 BVXINOAOHQDTML-OQSZKCJDSA-N 484.691 4.877 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1Cl 95927310 JLPKCZLALUAVQM-KGENOOAVSA-N 480.977 4.504 10 10 JJCE Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 101144651 NNPLPDPXQXRKJX-UHFFFAOYSA-N 480.549 4.635 10 10 JJCE O=C(/C=C\c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 102856325 IAZXIOZZUXOLNE-OPUZTWBSSA-N 451.569 4.686 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)OCCC)C2=O)c2ccccc21 206844934 MSMXXBPDNOORCK-FMQUCBEESA-N 460.621 4.528 10 10 JJCE COc1ccccc1NCN1C(=O)/C(=C/c2cccc(I)c2)SC1=S 1081103628 XEWDOLOKIBCWRB-YBEGLDIGSA-N 482.368 4.571 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc(O)c4)c4ccccc34)[C@H]21 1860344727 BMYGTVNYLBGPFZ-MHZLTWQESA-N 466.541 4.523 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4OC)n(-c4ccccc4)n3)CC2)cc1 1862349869 ZWSRLZGPGFZUAF-UHFFFAOYSA-N 482.584 4.827 10 10 JJCE Cc1ccc(Cl)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866510757 JYHCTRRSDYOQCO-QFIPXVFZSA-N 467.013 4.513 10 10 JJCE CC[C@@H](C)OC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1872956036 AFASLRSDXGXDPQ-GOSISDBHSA-N 458.514 4.892 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167471 IUIOEGPFIZPABR-HXUWFJFHSA-N 464.654 4.684 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425256 UWCQKOKJSIFTGD-UHFFFAOYSA-N 496.615 4.504 10 10 JJCE Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)nn1 1891631069 XXRZAIKLFGVUIU-GSLIJJQTSA-N 481.644 4.974 10 10 JJCE CC(C)(C)OC(=O)N[C@H](CCCC(=O)O)c1cc(Br)cc(Br)c1O 1951597381 RGNIKZCUSOIRQC-GFCCVEGCSA-N 467.154 4.738 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080004158 WTRBEGGKXUYORG-KRWDZBQOSA-N 482.362 4.894 10 10 JJCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)cc1 2293228266 LFHNFYBDIWQXLG-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 2294033941 DUXPRXRCQYBIAG-UHFFFAOYSA-N 466.335 4.616 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1Cl 2297306652 QLKYNXRXMOPLQM-UHFFFAOYSA-N 499.350 4.921 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 2297459885 PCSUOCSIYGEITA-UHFFFAOYSA-N 480.927 4.726 10 10 JJCE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2297470784 VUENNZHZJKNGAS-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1cc(Cl)ccc1O 15834363 QSFJUUVTZNALHV-HSZRJFAPSA-N 498.970 4.877 10 10 JJCE Oc1ccc(I)cc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O 36245361 KDYSFBKHDIGEIC-FQEVSTJZSA-N 469.282 4.847 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)N=C2c2ccccc2OC)cc1 39132420 QVAQVSWAQIKNEG-KQWNVCNZSA-N 458.514 4.946 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c1 39835839 BMAQSZZEQQKZGD-XDHOZWIPSA-N 465.600 4.961 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 64929024 NJNIAHMGIZVEFN-DEOSSOPVSA-N 457.622 4.831 10 10 JJCE C[C@@H](NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(N2CCOCC2)cc1 109184372 YXXMFULXUUQEIU-YDYPUGOESA-N 479.584 4.662 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1OC 1858593977 GGNNKFCPGBYWEY-QTKYHAHDSA-N 454.617 4.742 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 1860076589 MXANUJDTNLKXJY-KGENOOAVSA-N 454.617 4.956 10 10 JJCE CC/C(=C\C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866687846 NVSRYKRRWBBNQM-ISLYRVAYSA-N 496.563 4.798 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867016108 UIVKRBQORRAEEB-UZUQRXQVSA-N 460.574 4.902 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)C(C)C)CC2)cc1 1868710791 HMTVCPXVYLIOIT-LEAFIULHSA-N 497.655 4.762 10 10 JJCE CC[C@@](C)(NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868729826 UFPGFPVETFRXFC-GDLZYMKVSA-N 479.665 4.695 10 10 JJCE CC(C)[C@@H](C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951900577 FTDNPRCMSROPRN-JYFHCDHNSA-N 475.541 4.904 10 10 JJCE CN(C[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1)C(=O)OC(C)(C)C 2163166894 HJOSSMVWEFIKET-GOSISDBHSA-N 474.646 4.645 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(O)cc1 2314831483 MBXYYMYGKBJZED-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1)C(=O)O 2314930598 GLBOIGMEPGUJTG-NSHDSACASA-N 464.362 4.707 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCCC(=O)O 2314936503 YUTKXULESUVKDM-UHFFFAOYSA-N 473.572 4.743 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 2321596253 BDLIQEPGTOLSPS-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 2323790337 RGMNQMUTAOQKHY-UHFFFAOYSA-N 473.616 4.945 10 10 JJCE COc1cccc(C(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 2326954638 LLSLQYNHGXVSLY-UHFFFAOYSA-N 494.594 4.599 10 10 JJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 16911426 HRGSJFPPUNRXHA-MHWRWJLKSA-N 464.362 4.708 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3c(F)cccc3F)CC2)cc1 20289487 XTLHIQHAMKKVGF-OSPHWJPCSA-N 471.573 4.717 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c1OC 33323300 XVTKYBZDJGJYGI-SXGWCWSVSA-N 459.296 4.590 10 10 JJCE N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 33619895 MXFMLXCRBXAJEP-DWCAQMBTSA-N 494.598 4.654 10 10 JJCE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 39793819 DTMXHKAAJXDTBP-SXGWCWSVSA-N 452.479 4.554 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 96459379 MVMQFUFBAAXZMA-SCORJZKRSA-N 496.614 4.710 10 10 JJCE COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(C)cc3)cc2)SC1=S 102828656 OAOFAELYVHTVAS-HXEMMKMDSA-N 453.585 4.852 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)cc1 248116457 BGFJXYOYRJSFAS-UHFFFAOYSA-N 455.967 4.625 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526217821 AYSOTZQCCCSZST-VWLOTQADSA-N 477.513 4.961 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705590355 IXLQUDANRMXULL-ILBGXUMGSA-N 482.676 4.936 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cn2)sc(C)c1-c1ccc(Cl)cc1 1860746943 LXAVESVECMYQJU-UHFFFAOYSA-N 461.902 4.665 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c2nccn2C)cc1 1866450799 MGUCVJLCWSDGHV-SANMLTNESA-N 493.567 4.639 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(COc5cccc(C)c5C)[nH]c4c3)CC2)cc1 1872798488 YIGAWMUYRZSODG-UHFFFAOYSA-N 470.573 4.730 10 10 JJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419937 RMOXENZHUUCDMU-VWLOTQADSA-N 483.568 4.668 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2c(O)cc(O)cc2O)C1 1952457210 PTZXJRHZAAKINX-IVZQSRNASA-N 475.497 4.590 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1952825793 PILMBJLXSJFBNK-XJKSGUPXSA-N 499.155 4.702 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079856499 UERXOFSDDXZXSO-AWEZNQCLSA-N 463.250 4.555 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 2293394513 PLRJGXRRGBJLPV-UHFFFAOYSA-N 497.320 4.637 10 10 JJCE COc1cccc(OCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2Cl)c1 2293420467 BMSXFRJZOWTTIM-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE N=C1C(=Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C(=O)N=C2SC(c3ccco3)=NN12 2296400245 IZAHFNJRWJTRLM-UHFFFAOYSA-N 478.946 4.977 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21 2296714234 MDUKUDKEHFLUIH-UHFFFAOYSA-N 453.427 4.966 10 10 JJCE CN1C(=O)C(=Cc2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 2296727633 STOQSPIPXQUGHR-MRXNPFEDSA-N 491.805 4.616 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1OC 2297347352 VRSIVDRLZHNCIY-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 2313541149 WVZJSYXAIWCBLT-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S 2314767214 DWJYSGBIEONDPA-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O 14457109 CGNFSQWHJBSTDQ-DFIYOIEZSA-N 454.592 4.792 10 10 JJCE O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 33363878 LLBSONKWWPNTKY-CXUHLZMHSA-N 477.691 4.807 10 10 JJCE CCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)s1 39793651 FOQDEKCVBKZQHK-WJDWOHSUSA-N 470.601 4.591 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC)C2=O)cc1 39835922 WTQALBODPATRCZ-QGOAFFKASA-N 451.573 4.579 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 95927070 SKLBPICDHVLAFN-UNOMPAQXSA-N 477.007 4.977 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccccc2)c1C 108458221 RSLMKFMSSGPRNK-MOSHPQCFSA-N 450.340 4.970 10 10 JJCE CC1CCN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 586718773 ZULWPWSXKWBFII-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4sccc4Br)cs3)cc2C[C@H]1C 727249888 CSMNATUCJUCRKA-SNVBAGLBSA-N 498.449 4.732 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 1084475030 OXFZPHWFOWRJQC-CIAFOILYSA-N 478.346 4.831 10 10 JJCE Nc1ccc(OC(=O)Nc2ncccc2OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 1858693882 GERZNFSKXOXGSB-UHFFFAOYSA-N 468.513 4.887 10 10 JJCE CCc1sc(NC(=O)C(=O)NCCC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763296 CVCUCJGOTBXUGQ-UHFFFAOYSA-N 481.412 4.627 10 10 JJCE CCOC(=O)c1c(NC(=O)CCc2cnc(OC)nc2)sc(C)c1-c1ccc(Cl)cc1 1866151426 VMUMURBIQZYSQU-UHFFFAOYSA-N 459.955 4.924 10 10 JJCE CC(C)(NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867124767 WFILSRCWQDSKBH-UHFFFAOYSA-N 488.971 4.972 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869157450 ANKZBOLJFHCGQH-QFIPXVFZSA-N 487.648 4.791 10 10 JJCE Cc1ccc(O)c(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1873879684 YCNPXDWRZZAQLL-MUUNZHRXSA-N 480.568 4.831 10 10 JJCE Cn1ccc2c([C@]3(C(=O)O)C[C@@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cccc21 1952693787 XFVMOIVYMIIRDX-LBNVMWSVSA-N 452.510 4.812 10 10 JJCE COC(=O)C=Cc1ccc(N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c([N+](=O)[O-])c1 2059735236 IWXOBGRBEHRZFH-UHFFFAOYSA-N 469.538 4.702 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079038494 ZNKSMSQKZKCWRG-AWEZNQCLSA-N 496.267 4.943 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](CC)c2ccc(C)cc2O)c1I 2079059989 BTCVAJGOWCFHSB-LLVKDONJSA-N 464.250 4.615 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2ccc(F)cc2)cc1 2295489487 QQSNZSZNXIQRCA-UHFFFAOYSA-N 460.465 4.557 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2297344758 FFUIOJTUYXTFGC-UHFFFAOYSA-N 493.545 4.862 10 10 JJCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297365364 QOHKHZVPBSRGLB-UHFFFAOYSA-N 491.407 4.663 10 10 JJCE CCCCc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)s1 2297450291 XAIJBQMKDJUXJC-UHFFFAOYSA-N 467.041 4.764 10 10 JJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2297515822 ZWFXJAXGWFJFCG-UHFFFAOYSA-N 466.378 4.864 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314935165 MYUFKZWYTGYWOS-OAHLLOKOSA-N 457.573 4.960 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131329 INLBKYXFBQEYDO-UHFFFAOYSA-N 480.156 4.576 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)SC1=S 39836011 ANNKKDDVJLDZDX-GZTJUZNOSA-N 471.991 4.978 10 10 JJCE CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O 53363788 ZMOPZNPOFKJOMV-BVAGGSTKSA-N 460.530 4.809 10 10 JJCE Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)n2)cc1 65130859 IGBBEWMSCZYSEN-UHFFFAOYSA-N 496.615 4.706 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 83317035 LSMGYPZTTCGOLP-HMMYKYKNSA-N 471.604 4.596 10 10 JJCE Cc1cc(/C=C\C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c(C)n1-c1ccccc1 96861250 ZAJWWYVTWRJCLJ-DJKHGBOQSA-N 482.584 4.552 10 10 JJCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CCCCC(=O)O)C3=O)cc2)cc1 210607967 AIOCXQBTMCAMGX-PXSLEKJFSA-N 497.594 4.770 10 10 JJCE CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)c1ccc(OC)c(OC)c1 728916744 PBEGZLBQCRFDBC-UHFFFAOYSA-N 451.548 4.704 10 10 JJCE CC[C@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1869082784 JDBLFADWRJYRDP-QHCPKHFHSA-N 457.622 4.781 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C2=O)cc1 2294095473 SGRZYCVHJQLJOH-UHFFFAOYSA-N 492.535 4.563 10 10 JJCE CCOc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(Cl)c1 2297559944 YAJXIXJEUXUIJT-UHFFFAOYSA-N 481.799 4.768 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 2313559805 USHZVOWXWQKXAD-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314755033 OOSJKNUUFNVPBR-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](CC)C(=O)O)c(OC)c3)SC2=S)cc1 2314931476 FWEXQFJDXNUWCC-QGZVFWFLSA-N 473.572 4.742 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 103704045 CQASGBSZPSKSSW-GBEVANGZSA-N 463.559 4.937 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1OC 526379073 QWXSASQVDIFNCE-XMMPIXPASA-N 477.513 4.959 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(c2ccc(Cl)cc2)CC1 918618871 CGRFUHALBXFBOU-CYVLTUHYSA-N 492.091 4.732 10 10 JJCE CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c2)CC1 1154475962 MDLSAFHUSYLEML-UHFFFAOYSA-N 458.606 4.627 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1O 1654569038 AFRAOKXQXCINHJ-ZJSXRUAMSA-N 455.913 4.928 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc3cccnc23)sc(C)c1-c1ccc(C)cc1 1860748749 KMHBHURDPLCHPQ-UHFFFAOYSA-N 459.527 4.944 10 10 JJCE COc1ccc(N2CCN(C(=O)CCCOc3ccc(Cl)cc3Br)CC2)cc1 1861870298 FLPQHSCIVWPJAZ-UHFFFAOYSA-N 467.791 4.619 10 10 JJCE CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1c(F)cccc1Cl 1862307887 YEZXRCOOGHHZPS-UHFFFAOYSA-N 470.976 4.647 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2\C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC 1865675603 QKMGIBSBDTYCKB-PDGQHHTCSA-N 483.531 4.523 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969062 BZOXZFPRWHWCNL-UHFFFAOYSA-N 488.979 4.508 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3cccs3)C2=O)cc1 1873164228 RMEUUBFSCFVBEY-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)cccc21 1874017639 UCEBTZWQMYKOIZ-UHFFFAOYSA-N 476.467 4.830 10 10 JJCE COc1cc(C)ccc1OCCn1cccc1C=C1C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 2296098607 CZDUJWHNJARNCI-UHFFFAOYSA-N 493.947 4.512 10 10 JJCE Cc1cccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2296397910 GUJVZZOFNUGDKG-UHFFFAOYSA-N 483.499 4.834 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3)CC2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2296934894 IUDIQGAJYKEUBF-UHFFFAOYSA-N 460.515 4.647 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C(=N)N12 2297333763 OTTGBLVZXISTQX-UHFFFAOYSA-N 454.533 4.611 10 10 JJCE O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2314650648 UELMYQCTYWRFFK-LJQANCHMSA-N 465.508 4.672 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCc1nc2ccccc2s1 40324154 MUCDDOLECFLJPG-BOPFTXTBSA-N 474.032 4.857 10 10 JJCE COc1ccc(-c2coc3c(CN4CCN(c5ccc(F)cc5)CC4)c(O)ccc3c2=O)cc1OC 41585663 VEEQKNSNLHXXEX-UHFFFAOYSA-N 490.531 4.644 10 10 JJCE biogenic CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CSc2nnc(N)s2)cc1 72413671 SQZYXHVRWHCBBC-QFIPXVFZSA-N 488.642 4.810 10 10 JJCE COc1ccc(CC2=NN3C(=N)/C(=C\c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)cc1OC 102464746 KVDVSUUFTJSZRG-HKZDZMRNSA-N 491.356 4.578 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 209670415 ABQXTDLBLVGGSZ-GDNBJRDFSA-N 493.611 4.754 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 526151393 BLAQZQNLSHQYJT-QFIPXVFZSA-N 451.450 4.701 10 10 JJCE O=C1C[C@H](Nc2ccc(N3CCOCC3)c(F)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 728062311 IEBGZNKKRHHLMH-QHCPKHFHSA-N 473.508 4.822 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccnc(OCC(F)(F)F)c1 1705546318 HZVWNIHYGDBONK-UHFFFAOYSA-N 494.521 4.806 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccccc1 1860747375 GVJNMWHQVVZDFW-UHFFFAOYSA-N 467.503 4.694 10 10 JJCE Cc1cccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 1860826348 DNSXDTSXHSVENL-FYJGNVAPSA-N 493.610 4.654 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c(OC)c1 1873424723 TYRIKLLLCWPIKN-UHFFFAOYSA-N 473.573 4.959 10 10 JJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106856325 YCAWLZKOFAIKME-DQEYMECFSA-N 454.659 4.819 10 10 JJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)cc1 2294229296 HOHBLQDFCOUHON-UHFFFAOYSA-N 469.541 4.968 10 10 JJCE Cc1cccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c1C 2296754808 BOHGGNIZTFUIOF-UHFFFAOYSA-N 454.573 4.652 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2297309341 GPVXIJOQCXDNIU-UHFFFAOYSA-N 450.834 4.803 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 2313558545 DIQDQOUPZFYVBM-UHFFFAOYSA-N 496.947 4.898 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 2314486228 HNPXCMVZONSDFR-UHFFFAOYSA-N 498.557 4.846 10 10 JJCE CCCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2314765231 YGWVGCLINXPESA-UHFFFAOYSA-N 477.405 4.784 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 2314837671 VPVGIMNICIKRHO-LBPRGKRZSA-N 466.506 4.942 10 10 JJCE O=C(C=Cc1ccccc1OCCN1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2331494273 PRCGWZHEXBCGQV-UHFFFAOYSA-N 466.537 4.589 10 10 JJCE Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 18484400 INMVRCNUXDPVLJ-UHFFFAOYSA-N 485.657 4.949 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(C4CCCCC4)CC3)cc1)CCCC2 20532489 HPEPASWQLPBBOM-UHFFFAOYSA-N 462.682 4.735 10 10 JJCE CCOC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 33337554 INHKCIUCEFSLOG-ZHZULCJRSA-N 478.551 4.670 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454527 OVARUMYSURNBFG-PXLXIMEGSA-N 494.686 4.983 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33468434 PUIZAQYMJQREBQ-PDGQHHTCSA-N 468.604 4.599 10 10 JJCE O=C(COc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O)Nc1nccs1 35519781 JOFYLVRIIOGFAG-SFQUDFHCSA-N 459.618 4.695 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(Cl)ccc3Cl)c3ccco3)CC2)cc1 38606500 QCYGLIVDJJUQLU-QFIPXVFZSA-N 474.388 4.888 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 103040611 KLHAEWGHECWVNN-PXLXIMEGSA-N 479.627 4.517 10 10 JJCE C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cnn(C)c2)n1CCCSc1nccs1 1595914843 ZPSDUVHQSPANLO-NBVRZTHBSA-N 465.652 4.857 10 10 JJCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 1678478875 IBYGRSORWFZXOY-SANMLTNESA-N 454.659 4.636 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)c(C)s1 1859574390 JJVJTGBCAZJKKX-UHFFFAOYSA-N 471.604 4.820 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 1867774882 JDXDAFFBVCSEPI-VSGBNLITSA-N 484.644 4.567 10 10 JJCE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871286997 DWMIMPUHEKBUNA-FYJGNVAPSA-N 498.626 4.738 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4cccc5cccnc45)cc3)CC2)cc1 1872871887 CHCSARJAAOFNJE-UHFFFAOYSA-N 453.542 4.785 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](CC)c2ccc(C)cc2O)c1I 2078992240 LPJYFCWBVKAIMK-CQSZACIVSA-N 454.308 4.555 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2297470629 AFIAKGAZJPHBRV-UHFFFAOYSA-N 481.887 4.938 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1 2313502051 LGNNETHOLZHMSE-UHFFFAOYSA-N 453.564 4.815 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OC(C)C 2314759894 GJBUVNLONDDZQA-UHFFFAOYSA-N 488.425 4.701 10 10 JJCE O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1Cc1ccccc1 2998334 FQKNSOLALDSEAE-QNGOZBTKSA-N 467.593 4.856 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20705075 JGVGFGAKTDTCSJ-LGVFNWMJSA-N 453.564 4.986 10 10 JJCE CCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598205 DMJUUQUBVSGOMQ-SANMLTNESA-N 477.605 4.760 10 10 JJCE COc1ccc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br 108880910 UXYAUTRWDUVSMA-TWTOEHEZSA-N 487.394 4.524 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526369355 WOKOXLZIEVFLHE-HSZRJFAPSA-N 496.947 4.892 10 10 JJCE O=C1/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1614996484 LCIMZLFKLCGLTA-KHAFMBKQSA-N 474.412 4.642 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3cccc(Br)c3n2)N2CCCCC2)cc1 1866544665 SBEDECDKFIMFBB-QFIPXVFZSA-N 497.437 4.726 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccc(C)cc3)CC2)cc1 1870437731 BKBNWJWZDIABSL-UHFFFAOYSA-N 475.633 4.571 10 10 JJCE CCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870621652 WIOZABQUYHQHSY-UHFFFAOYSA-N 479.596 4.697 10 10 JJCE COc1ccc(CN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165325 HYENEPCRLHOUOX-UHFFFAOYSA-N 469.585 4.915 10 10 JJCE COCCn1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 1874179278 WDDZWMAPCFAFCQ-UHFFFAOYSA-N 458.901 4.969 10 10 JJCE O=C(N[C@]1(c2ccc(Br)cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952757913 VEZMJSXOPYWGFU-OFVILXPXSA-N 494.341 4.993 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(OC)cc2O)c1Br 2079858571 RVSLSOAYUAKFRA-LLVKDONJSA-N 451.239 4.555 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)cc1C 2079992400 CPIZWBXUBRWJHD-SFHVURJKSA-N 466.319 4.775 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3cscc3Br)cc2)CC1 2286073659 PUNWIXNRFIWZST-SFHVURJKSA-N 453.402 4.649 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)cc1 2294124614 FXFJKXAYHHNNLS-UHFFFAOYSA-N 472.501 4.540 10 10 JJCE CC1=NN2C(=N)C(=Cc3cn(CCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1 2297310379 KWUFWNWSGCMUJC-UHFFFAOYSA-N 457.559 4.976 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC1CCCCC1 2314487316 PSHHWTRQZVRVAK-UHFFFAOYSA-N 488.675 4.866 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 2332110758 KINNPDQEYCXTQQ-UHFFFAOYSA-N 455.230 4.902 10 10 JJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 2228923 IYZRWSOXNHMGDF-HFITWMCCSA-N 458.470 4.825 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2695439 SSEOCFIYIBGCBI-XEXOPBTESA-N 486.018 4.695 10 10 JJCE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(Br)cc1 3176949 KTSYOJAPOGDWFA-DHDCSXOGSA-N 450.339 4.628 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15044244 ABHGBQPTFVWLGT-QNGOZBTKSA-N 486.615 4.810 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)O 16919517 SAGCYVFIRDQGLZ-DEDYPNTBSA-N 457.573 4.961 10 10 JJCE O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)o2)c1 20436979 QAJXVBYWYLQGKG-WOJGMQOQSA-N 451.481 4.749 10 10 JJCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 33662148 QTDIQHOOMAIMOT-MDBUFAAASA-N 477.991 4.690 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694642 IWBWSRKLANIEFR-UHFFFAOYSA-N 453.945 4.527 10 10 JJCE COc1ccc([C@@H]2CN(Cc3ccc(OC)cc3O)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 247926526 ILVAQNHNQBAJHN-CUBQBAPOSA-N 492.591 4.813 10 10 JJCE Cc1ccc([C@H]2C3=C(N=c4sc(=Cc5ccc(N(C)C)cc5)c(=O)n42)c2ccccc2CC3)cc1 254398701 PQYIUBMQLAIFEL-NDEPHWFRSA-N 477.633 4.693 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CCc5ccc(Cl)cc5)[nH]c4c3)CC2)cc1 1872798392 VPZYRINJZWVANL-UHFFFAOYSA-N 474.992 4.973 10 10 JJCE O=C1NC(=S)SC1=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 2293261842 YMLGETOSEXNIOX-UHFFFAOYSA-N 459.390 4.972 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 2296731379 SKLBPICDHVLAFN-UHFFFAOYSA-N 477.007 4.977 10 10 JJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O 2314928842 CLOZGQZNDRJMHC-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1ccccc1N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2321680356 QDPBJXNIJTZQKD-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1cccc(Cl)c1 2332141238 MILMZWWPWAVLSW-UHFFFAOYSA-N 475.888 4.850 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144722 IOEGPGZGDRBUIM-UHFFFAOYSA-N 457.486 4.756 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 2509013 AFVUSLPKMAPXPB-FOCLMDBBSA-N 453.427 4.823 10 10 JJCE CN(Cc1c(O)ccc2ccccc12)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 15001225 DWVUAMXHKUQCMI-UHFFFAOYSA-N 469.010 4.886 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 33424277 XTJPBJMNDUPAIK-DHPBROCDSA-N 478.574 4.962 10 10 JJCE Nc1ccc(CCOc2c(I)cc(Cl)cc2I)cc1 311542624 YOZBFVIWBPRRDQ-UHFFFAOYSA-N 499.517 4.753 10 10 JJCE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 725238072 CDTSMNBIGMMTEU-KENIUKEISA-N 498.572 4.681 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1OC 1858587950 JKPUBVCTGMKXAY-MLHZQLSASA-N 473.572 4.607 10 10 JJCE CCN(CC)c1ccc(/C=c2\sc3nc(CC(c4ccccc4)c4ccccc4)nn3c2=O)cc1 1860791075 UKEXESGAODGBSK-XHPQRKPJSA-N 480.637 4.920 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 1860842440 AOPILQGLKDPFIY-UHFFFAOYSA-N 462.981 4.621 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668353 SGRZVSUWABHBTR-HYARGMPZSA-N 458.514 4.864 10 10 JJCE CC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868702157 NFQDDAKQVQXCDY-RPBOFIJWSA-N 486.056 4.722 10 10 JJCE O=C(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1nc2c(s1)CCCCC2 1874179178 SBNNVQJEHQITMW-UHFFFAOYSA-N 473.554 4.545 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C[C@H]1c1cc(Br)cc(Br)c1O 1952456655 NRJLSUWMEGDOKJ-RNCFNFMXSA-N 479.165 4.690 10 10 JJCE O=C(O)CC1([C@H](Cc2ccc(O)c(O)c2)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1952559579 KVQUYRQDTIBIOE-VWLOTQADSA-N 473.525 4.803 10 10 JJCE CC(C)(C)OC(=O)NCC1(NCc2ccc(Cl)cc2O)CCN(Cc2ccccc2)CC1 2067211035 CAWQDKROKHDHOV-UHFFFAOYSA-N 460.018 4.695 10 10 JJCE CN1CCc2cc([C@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106854257 ATPPNUKOMNSEQJ-RPLLCQBOSA-N 451.611 4.523 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 2297339386 JAHZOYRBMALGOE-UHFFFAOYSA-N 478.451 4.609 10 10 JJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1 2297470574 MIUJVWMFDKHJMD-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE CC(C)(C)c1ccc(OCCOc2cccc(C=C3SC(=S)N(CC(=O)O)C3=O)c2)cc1 2297511161 DJJVPDISBHOBMO-UHFFFAOYSA-N 471.600 4.728 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414222 SSFWJMKOIOKNBW-PCKAHOCUSA-N 456.637 4.685 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831947 WGXBAOFHILEANU-UHFFFAOYSA-N 472.588 4.507 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@@H](c3ccc(OC)cc3)C2)cc1 2314952253 YJNZDUMLURBCKI-HSZRJFAPSA-N 470.554 4.920 10 10 JJCE O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 1134355 HRWOALQVMFSWRU-WCSRMQSCSA-N 454.407 4.748 10 10 JJCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc2N(C)C1=O 11857625 DKCFBQWRHCXOCG-JTQLQIEISA-N 484.386 4.661 10 10 JJCE CCN(CC)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 33413789 NFLOPBXQCVWAMX-LTGZKZEYSA-N 469.632 4.771 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 34982602 NMVNRLKEWBSIJN-GNUZOCDUSA-N 470.597 4.556 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(Cl)ccc3Cl)c3ccco3)CC2)cc1 38606504 QCYGLIVDJJUQLU-JOCHJYFZSA-N 474.388 4.888 10 10 JJCE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066760 UYXYJSDUKLUBQK-MTJSOVHGSA-N 480.659 4.908 10 10 JJCE CN(C)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 71328672 OVTBTQBBHRBHCV-OAQYLSRUSA-N 468.962 4.737 10 10 JJCE C[C@@H](Nc1cc(I)cc(I)c1)c1ccc(F)cc1O 690417141 ODLLDRQPQRKHGS-MRVPVSSYSA-N 483.062 4.914 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1OC 1858589790 JUTZROWAWHVFFM-WOJGMQOQSA-N 464.952 4.709 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866262146 LPQFBXUEWZJOBF-NXEZZACHSA-N 454.342 4.568 10 10 JJCE COCCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420674 STBZTQLNTNAFIC-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(O)c(O)c2)CC1 1951862071 ZRDRRMYQINVAAR-AREMUKBSSA-N 459.498 4.511 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1 2040526828 DFZSPYYUOSNLDT-ROUUACIJSA-N 474.586 4.627 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)sc2c1 2314563209 ZHNCUNWVNUWHMY-UHFFFAOYSA-N 469.613 4.843 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 2314760483 KLHLFAXXJMHLFC-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 2323790383 YFOZEQAEPUEVLM-UHFFFAOYSA-N 456.633 4.994 10 10 JJCE CC[C@@H](C)OC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945430 RHYYKQRHKSGEGW-HUUCEWRRSA-N 474.604 4.610 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144839 RXWZRPSVGAGBGU-UHFFFAOYSA-N 481.867 4.932 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4nsc5ccccc45)c3)CC2)cc1 8599848 MPBJQFNAFFDUCU-UHFFFAOYSA-N 472.570 4.520 10 10 JJCE O=C(CN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1ccc(F)cc1 33314223 MGNROAZCBTYTOB-QURGRASLSA-N 495.601 4.715 10 10 JJCE CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 33316159 UPUYWTXIXTWSNK-MOSHPQCFSA-N 458.430 4.851 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751709 BNZGYDSDVKYLQU-HKWRFOASSA-N 494.642 4.707 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)c2cccs2)c(OS(=O)(=O)CC)c1 37421025 VOTAIIGBKZFTRZ-UHFFFAOYSA-N 476.620 4.758 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152322 ULTDGLIJVMRMDY-OKHBPPCESA-N 481.477 4.842 10 10 JJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 250575159 FHOPMMGBFLXLCQ-UMEGOILYSA-N 477.542 4.952 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526469556 UMYCLAPRXHUXBC-RUZDIDTESA-N 488.540 4.614 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC[C@@H](c2nc(C3CCOCC3)no2)C1 575313837 QKGWSHQKYQBMSK-HXUWFJFHSA-N 462.594 4.593 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 1083967245 PUNFUWFZYASMPU-AQTBWJFISA-N 466.921 4.889 10 10 JJCE O=C1/C(=C\c2ccccc2I)SC(=S)N1CNc1cccc(F)c1 1084510923 ZWGDSHJRACACCZ-OVCLIPMQSA-N 470.332 4.701 10 10 JJCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC12CCCCC2 1286879880 KMWQVAVXQGUCGX-UHFFFAOYSA-N 480.701 4.661 10 10 JJCE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](NC(C)=O)C1 1705801363 CCQXMDRKKMWODF-QHCPKHFHSA-N 460.626 4.814 10 10 JJCE CC(C)(C)c1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826733 KXYRSHJHJAJYML-MRCUWXFGSA-N 480.611 4.577 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873167502 KJOZCMNXFQCXKX-NLFFAJNJSA-N 476.665 4.684 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)CC2)cc1 2059128372 YVVPILGKJOBULL-GZVDNEBNSA-N 473.617 4.813 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080023428 AYCXFRUPUAEGGC-QGZVFWFLSA-N 481.378 4.596 10 10 JJCE C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2192617793 NGWRVHVQPQDRRL-HXUWFJFHSA-N 467.610 4.519 10 10 JJCE Cc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296398132 VTZATYUREWBBNL-UHFFFAOYSA-N 483.524 4.674 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2297534874 QCBOGXWOFQEXFO-UHFFFAOYSA-N 488.308 4.993 10 10 JJCE COC(=O)c1c(NC(=O)C=Cc2cncnc2)sc(C)c1-c1ccc(Br)cc1 2330008109 RIADUVZLUMRNBR-UHFFFAOYSA-N 458.337 4.715 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc(OC)c1OC 2332115059 OUPQKCFGPMQHRB-UHFFFAOYSA-N 485.256 4.823 10 10 JJCE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCC(C)C)C3=O)c3ccccc32)c1 2532982 CCWNWTAIBVJDHZ-GHVJWSGMSA-N 493.654 4.906 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1 33523548 IVJRYHGVEMEYJB-HBBMIWKISA-N 453.585 4.855 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccc(C)c(C)c3)cc2)SC1=S 33613815 QPNFCJQJBVUHGG-CJLVFECKSA-N 457.617 4.999 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 35087113 LUDNBMVBJUUIFR-OYKKKHCWSA-N 456.546 4.551 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(C)C 40940572 XFDXNGYBLFZBTK-MOSHPQCFSA-N 456.589 4.727 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526295120 UPHKRUOQNDHZNT-OAQYLSRUSA-N 468.303 4.926 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)c1 1860874470 MUHLGCIZXPMXLO-VWLOTQADSA-N 470.617 4.533 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2F)C1=O 1873170107 OGSTYXBNRPLTST-UHFFFAOYSA-N 475.564 4.530 10 10 JJCE O=C(N[C@H](C(=O)O)c1cc(Br)cc(F)c1O)OCC1c2ccccc2-c2ccccc21 1951401194 BWBLBGFLPYEVPV-FQEVSTJZSA-N 486.293 4.958 10 10 JJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106872759 VVVNMGBKSAJFKX-JWQCQUIFSA-N 452.643 4.573 10 10 JJCE COc1ccc(NCc2cc(Br)cc(F)c2O)cc1I 2280440189 XOVQKPHUQWHCQS-UHFFFAOYSA-N 452.061 4.519 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@@H](O)CN(C)Cc2ccccc2)c2ccccc12 2296270469 AASCVVRBCAYONM-SANMLTNESA-N 478.596 4.940 10 10 JJCE COc1ccccc1NC[C@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2296292012 ZNRSYRVKMKUKES-QHCPKHFHSA-N 480.568 4.929 10 10 JJCE Cc1ccccc1N1CCN(C2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)CC1 2296441485 XDMKXRLDQHDNSU-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(Oc3ccc(F)cc3)nc12 2296851525 PGQQEVPJHWAQFE-UHFFFAOYSA-N 469.563 4.792 10 10 JJCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2297469938 HMPYAHIGLKJVSF-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OCc1c(Cl)cccc1Cl 2297499855 BRKUPYLGFZPCDV-UHFFFAOYSA-N 461.330 4.830 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)C(=Cc2ccco2)SC1=S 2314397485 QYMSXLHRSXZJKX-UHFFFAOYSA-N 463.751 4.551 10 10 JJCE O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2314650647 UELMYQCTYWRFFK-IBGZPJMESA-N 465.508 4.672 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(F)cc1 2314831841 TUQASOCBYZHIQT-UHFFFAOYSA-N 495.395 4.914 10 10 JJCE O=C(O)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 2314929867 SXRRTUIHQFDZLR-UHFFFAOYSA-N 490.562 4.510 10 10 JJCE Cc1ccc(CNC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)c(O)c1Br 2381138976 RFRWBVFCWCSOGJ-IPFXWSOASA-N 481.337 4.645 10 10 JJCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15044890 HASCCBCAFBTBFE-QINSGFPZSA-N 489.446 4.736 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 33436446 JSEWACXCNGQTCZ-LPYMAVHISA-N 479.533 4.917 10 10 JJCE CCOC(=O)CSCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 33441706 IACTWDFHXRFREI-XSFVSMFZSA-N 489.640 4.776 10 10 JJCE Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccc(Cl)cc2Cl)C(=O)N=C1O 33458324 PUSVGAUDDRRYGN-BOPFTXTBSA-N 460.317 4.645 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1 33540501 MYSKVOMYAORJKY-KKKIXCIXSA-N 485.363 4.676 10 10 JJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066473 TXHIQEXLPCQRFJ-NHDPSOOVSA-N 496.658 4.526 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 47152269 GXBYMXIJQRHZHN-RGEXLXHISA-N 499.570 4.693 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1C 59678835 KTBLTOMAROKMDT-NHDPSOOVSA-N 491.931 4.729 10 10 JJCE CCOc1cccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O 65298380 FWRKKPKDNYUGIT-QFIPXVFZSA-N 467.610 4.532 10 10 JJCE biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 1084268777 NCMNWAVNLDRHNH-UDWIEESQSA-N 450.886 4.769 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705730917 QFMNZSGNUYCXID-NLFFAJNJSA-N 463.626 4.807 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc(C)c1-c1ccc(F)cc1 1860628270 ZXGGUZSCZLPSLV-UHFFFAOYSA-N 458.555 4.626 10 10 JJCE CCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862122335 ZNUICYWNSURTAY-MUUNZHRXSA-N 499.655 4.851 10 10 JJCE CCCCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1865921041 CMHUZSAKRMUUHH-NAKRPHOHSA-N 490.692 4.792 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2079035266 AUEDELQSDWRNFR-NSHDSACASA-N 482.240 4.697 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3ccc(O)c(I)c3)SC2=S)c1 2293779414 AUFCLBDTMCABGH-UHFFFAOYSA-N 453.326 4.711 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296547675 ZOGDSKDJSYDOFP-UHFFFAOYSA-N 470.664 4.773 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 2297310416 SVPOYUQTESGURV-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2314837234 PVMHKXJUGLGIRK-CYBMUJFWSA-N 461.406 4.986 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314930945 BHQOTGOCLIVOLW-JTQLQIEISA-N 467.927 4.745 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccsc3)SC2=S)cc1OC 2323681335 PGVJRKYZNUOOKA-HNNXBMFYSA-N 463.602 4.963 10 10 JJCE COc1ccc(OCCOc2cccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)c2)cc1 2863884 UXTFQPLFJSRGNR-JJIBRWJFSA-N 488.496 4.668 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 16922786 HSKSMVWLHMTUAR-BOPFTXTBSA-N 464.515 4.614 10 10 JJCE CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 33332512 UJFWABHDALUNDF-YBFXNURJSA-N 477.991 4.692 10 10 JJCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2c1 38732837 MRVVTJCTTWXZMO-JCMHNJIXSA-N 494.686 4.779 10 10 JJCE CCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 40928372 UMYIFJNNWPDYDZ-VXPUYCOJSA-N 460.621 4.528 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)cc4C)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 59861974 ALVNQXZVJCQLKU-WOJGMQOQSA-N 461.430 4.987 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 103704087 LKYBOTWSOCNPPH-GBEVANGZSA-N 463.559 4.937 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 206838989 KLHLFAXXJMHLFC-STZFKDTASA-N 471.600 4.737 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N(c4ccc(C)cc4)[C@@H]3c3cccs3)CC2)cc1 248095282 HZQNHJPUFGMLGC-IGKIAQTJSA-N 489.641 4.898 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526503214 BELSZWLGCALQBI-VWLOTQADSA-N 476.529 4.628 10 10 JJCE CCc1ccc(S(=O)(=O)N(C(=O)C(C)(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586263481 GCJAJBYMRPFFRX-UHFFFAOYSA-N 475.566 4.792 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 1084272681 JANCJSSDGRZSBF-MOSHPQCFSA-N 470.367 4.651 10 10 JJCE COc1ccc(O)c(CN2CCC[C@@]3(C[C@@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1 1615529257 NXGZBDUDUSDVOO-LEAFIULHSA-N 499.051 4.864 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1OC 1858588284 XLHIHHWEOHIZOM-IUOVYFEOSA-N 487.599 4.910 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)N(C)C)cc1 1858594344 VRLZRHOJBDGMIP-HDAJJNEKSA-N 450.988 4.992 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccc(Cl)cc1 1860759114 UOGDDSUJBRMWNB-UHFFFAOYSA-N 488.968 4.990 10 10 JJCE CCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162092 GEAWZFSOXHBORV-UHFFFAOYSA-N 459.565 4.946 10 10 JJCE CCCOc1ccccc1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296717908 IRHKKEWVHZSVAV-UHFFFAOYSA-N 465.600 4.679 10 10 JJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c(C)c1 2297468056 CHVQDYFSSQRVQP-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE COc1ccc(OCCCOc2ccc(C=C3C(=N)N4C=C(C)SC4=NC3=O)cc2OC)cc1 2297499738 YRCQRGCFZYOMNS-UHFFFAOYSA-N 479.558 4.719 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1 2313548651 BBOFWQLEEPLDDV-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314933661 CEKDLMXCPQUQOZ-CQSZACIVSA-N 471.556 4.546 10 10 JJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2318684228 VMFFXTODRQJALS-JVXZTZIISA-N 464.790 4.509 10 10 JJCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 666851 SGTLBBVLRMOLRU-LFIBNONCSA-N 457.269 4.501 10 10 JJCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018063 DCQBBKSQGJJCPL-GGOACEJESA-N 468.538 4.812 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 14468532 WLGXUAZWHTWFAE-LOYIFYEOSA-N 496.629 4.868 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 15046574 VPVGIMNICIKRHO-HJPCULJESA-N 466.506 4.942 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 16907855 UZHRCPADEPNGOO-HMMYKYKNSA-N 456.589 4.792 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCCC(=O)O 16919543 YUTKXULESUVKDM-XSFVSMFZSA-N 473.572 4.743 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)c(Br)cc1O 34240706 TYACGPSKEOMQKM-WDZFZDKYSA-N 481.755 4.797 10 10 JJCE CC1CCN(C(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)CC1 39793800 BFQXJZKASKSHOF-QNGOZBTKSA-N 452.601 4.730 10 10 JJCE Cc1cc(CCNC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1 727600687 ZLJDRNJZNAMFAE-UHFFFAOYSA-N 458.606 4.583 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C 1084536875 MIHDLLVMVDJCGP-SXGWCWSVSA-N 487.350 4.528 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3cccs3)C2=O)cc1 1873164373 YRJSLDALFVYTEN-UHFFFAOYSA-N 457.555 4.819 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCOC(C)C)C2=O)cc1 1873169699 FSUFZSPWWIIRHV-DVECYGJZSA-N 463.622 4.767 10 10 JJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1O 1951667397 PLUZNUPGUMJRBJ-OAQYLSRUSA-N 462.458 4.745 10 10 JJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 2313548778 FQTCJLHIWKIHEH-UHFFFAOYSA-N 457.324 4.603 10 10 JJCE CCC(=CC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329576832 NVSRYKRRWBBNQM-UHFFFAOYSA-N 496.563 4.798 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 15040067 DLDWXRJLLVUPQJ-HKWRFOASSA-N 456.589 4.714 10 10 JJCE CN1CCCc2cc([C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)N3CCOCC3)ccc21 16838362 COTZDLVUJBPQLS-NDEPHWFRSA-N 455.602 4.539 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 20236476 NVMCXDCISIXQND-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2CC=C[C@@H]32)CC1 20701624 WANRWBHBCTWJKT-YHEJKZAPSA-N 458.389 4.913 10 10 JJCE Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(O)=NC1=S 33319963 DSYDHTCEVHUCPE-STZFKDTASA-N 472.522 4.944 10 10 JJCE O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1 33410890 PGWPLCKAJYHEBE-BOPFTXTBSA-N 452.875 4.970 10 10 JJCE COc1ccc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1Br 33448127 QPCVTOZOSDXHJE-BQLOJNAPSA-N 487.404 4.968 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226865522 WANPMVLYQNMZSE-RNHFSVANSA-N 454.592 4.705 10 10 JJCE CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(N=Nc2ccccc2)cc1)C(=O)O 255973628 GDWCICAVNWGMDQ-YADHBBJMSA-N 466.538 4.819 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526220301 YHSFKBDARIATNX-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862135227 DAHHIFGSZNFWPJ-LJAQVGFWSA-N 495.664 4.902 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc2)cc1 1866277660 AJDOAPUJNNNPMX-IBGZPJMESA-N 456.546 4.653 10 10 JJCE CC[C@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409128 YDVLDZHAONJPIE-IGKIAQTJSA-N 485.072 4.648 10 10 JJCE CCOC(=O)CCOc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870877335 HEAFAFBDWLHOFW-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC(C)C)CC2)C1=O 1873170224 RHBWWGMDQQDCIO-UHFFFAOYSA-N 491.632 4.542 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420030 UVNVOUUSKLBIEY-HSZRJFAPSA-N 459.521 4.604 10 10 JJCE CCCN1C(=O)C(=Cc2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2040470284 PSFXOQUHABBYGI-INIZCTEOSA-N 464.616 4.787 10 10 JJCE CN1CCc2cc([C@@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106799984 CIWJZSVEYIHRKP-SHQCIBLASA-N 452.595 4.556 10 10 JJCE Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2297302760 NAGQPFSBFSLRIW-UHFFFAOYSA-N 452.517 4.678 10 10 JJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1)C(=O)O 2314930597 GLBOIGMEPGUJTG-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1O 14457113 ZFENHQYUHOMORS-ISCCLHIJSA-N 474.582 4.979 10 10 JJCE Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)ccc1Cl 33419698 KJESMXIMZJBMPA-WOJGMQOQSA-N 464.952 4.845 10 10 JJCE COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c2ccccc21 101401299 WQBIRCOFCGUNFQ-GBEVANGZSA-N 473.558 4.758 10 10 JJCE O=C(O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 108788920 PGAODKLFTVVBHZ-GZTJUZNOSA-N 470.359 4.692 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)on2)cc1 206727512 JIXOIJWVOKUMCK-CIAFOILYSA-N 481.574 4.697 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 208742065 DKWRYQYEGGEGOA-WOJGMQOQSA-N 485.612 4.544 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 210758854 QLKOAQAZJWVDIX-CJLVFECKSA-N 484.643 4.869 10 10 JJCE CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 731403606 PSYVFOMZZRTHBN-AQNXPRMDSA-N 457.590 4.611 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCCC(=O)N2 1859572713 BWRWHHJCOWSAKI-UHFFFAOYSA-N 492.966 4.756 10 10 JJCE CCc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1860075789 RPCGSCHEAICMKI-RCCKNPSSSA-N 454.617 4.902 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3ccncc3)C2)n1 1868275318 OOQJPYWQYKVTCV-QHCPKHFHSA-N 491.551 4.531 10 10 JJCE CCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870463037 YWUCISCYFVUDJD-UHFFFAOYSA-N 475.633 4.731 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419587 LNFDDRPQPLALAJ-RUZDIDTESA-N 485.584 4.864 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)c(O)c1 2079013994 UIFVVLYNENYESO-SFHVURJKSA-N 452.336 4.651 10 10 JJCE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163170375 WFFIWESADZJESI-AREMUKBSSA-N 474.646 4.836 10 10 JJCE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2204745049 RSGLKBFNVGEDEI-KRWDZBQOSA-N 474.646 4.692 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1F 2293152705 QQRBUTQPLJPDGD-UHFFFAOYSA-N 454.342 4.665 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1O 2293769092 XKMLVNBBHSLHJJ-UHFFFAOYSA-N 497.379 4.797 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=CNCCc2ccccc2)cc1 2297357889 IGHCGTRPKLIAOX-UHFFFAOYSA-N 454.555 4.772 10 10 JJCE CCC(=CC(=O)N[C@@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329554237 WQEOIGGYKWSLRP-DEOSSOPVSA-N 496.563 4.798 10 10 JJCE Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2431702 DUDSRFDZDBEZPK-CLJVFQDKSA-N 497.580 4.905 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475826 QSJSIWHPUYZPDT-AXHZCLLHSA-N 469.563 4.692 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12 20439421 ZWBMYQHRHYJZFG-GKZBKZLQSA-N 476.580 4.871 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33343983 QRBHDTGTRYDQSO-XDJHFCHBSA-N 470.664 4.631 10 10 JJCE CCCc1nnc(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(c3ccccc3)C2=O)s1 39793649 OBUOVSRRWBQMPX-HTXNQAPBSA-N 480.640 4.991 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 54451797 QZRCITYIUBLPDI-HHHXNRCGSA-N 490.669 4.881 10 10 JJCE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 59226936 YSNOEZYZGUQINB-ATVHPVEESA-N 450.903 4.634 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526327464 GVIZDFTXYYVJHH-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CC(=O)N1CCCCCCCN(Cc2ccc(F)cc2)Cc2cc(N3CCOCC3)ccc21 643563366 SVWQSDNXVDWDFX-UHFFFAOYSA-N 453.602 4.982 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)ccc1OC(C)C 1083864698 RSTJUUQTIWZGAR-YBEGLDIGSA-N 487.350 4.528 10 10 JJCE Cc1ccc(CCC(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860923455 XAQCCZBKQHENOO-UHFFFAOYSA-N 484.644 4.590 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@@H]2C)n1 1869128172 OPVDLHHJBFVLJD-FQEVSTJZSA-N 473.621 4.507 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(C(C)C)C2=O)cc1 1873162281 NYVAOQKQWLGRAG-UHFFFAOYSA-N 480.612 4.906 10 10 JJCE COc1ccc(CN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873163881 ASSOOKPPFWBPAD-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c(OC)c1 1873423632 GRWZTVZDBYEGMM-UHFFFAOYSA-N 459.546 4.712 10 10 JJCE CN1CCc2cc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](F)C(=O)O)ccc21 1927493654 QXJZTJGDLVEOLK-JWQCQUIFSA-N 460.505 4.681 10 10 JJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2079027217 QCNPMTGKNCEFEX-KRWDZBQOSA-N 450.320 4.755 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2194917521 RDOUVBFXZGAUOS-SJBQFGBUSA-N 465.638 4.860 10 10 JJCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Oc4ccc(N)cc4)cc3)C2=O)cc1 2293261734 RASFDLUSJKMRAE-UHFFFAOYSA-N 470.529 4.574 10 10 JJCE COc1c(Cl)cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl 2293990413 XUUKQDFWVXATDC-UHFFFAOYSA-N 455.294 4.816 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 2297350252 YHPLMYCALSKPCJ-UHFFFAOYSA-N 491.682 4.963 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1 2297469074 PVCKYUUJQWHAFK-UHFFFAOYSA-N 456.915 4.685 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314413793 IANKAZHAXQOJHK-UHFFFAOYSA-N 468.604 4.599 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2314506099 AWFUNDGIHRIGDJ-UHFFFAOYSA-N 455.536 4.627 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1 12368526 OUTLVGYJXCIIQR-ATVHPVEESA-N 473.626 4.658 10 10 JJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 37421021 DICGHAZDCGCTPX-UHFFFAOYSA-N 464.603 4.699 10 10 JJCE Cc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)cc1 54201721 ZGQVMSIFSQTNHS-VWNXMTODSA-N 484.581 4.879 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413153 NFTBMPSXVLGJCX-VWLOTQADSA-N 461.949 4.975 10 10 JJCE N=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC=NN12 102470878 UGYZFEFJWKKDGP-PEFFPKTRSA-N 477.347 4.551 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCc2ccccc2OC)cc1 205960508 BEAXDFZQBUCPPG-XIEYBQDHSA-N 457.530 4.527 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4cc(Br)ccc4c3)c2)CC1 1128041144 YLQXXGQBVXTJPJ-UHFFFAOYSA-N 452.352 4.523 10 10 JJCE Brc1cc(CNc2ccc(CCN3CCOCC3)cc2)ccc1N1CCCCC1 1177434501 WFJHDMYNJRZBQW-UHFFFAOYSA-N 458.444 4.926 10 10 JJCE CC(C)c1csc(CCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 1860345031 ORBPICTUGDFQJG-UHFFFAOYSA-N 497.624 4.513 10 10 JJCE CCCN(CCC)C(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347222 CNFKMOKUPGUSKJ-HHHXNRCGSA-N 458.606 4.827 10 10 JJCE Cc1ccc(/C=C/C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)cc1 1860923962 VLVOZUCGCKYCQQ-CCEZHUSRSA-N 482.628 4.671 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c2nccn2C)cc1 1865879143 CCFGAEZKFHXXHQ-NZQKXSOJSA-N 461.997 4.947 10 10 JJCE CC(C)OCCOc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870988729 BSJFXSVOUOJPSF-UHFFFAOYSA-N 478.637 4.960 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873162428 VBARJFZMTBVCFT-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=O)c2I)c(O)c1 2079037207 FIXGUSUFMXNNQC-AWEZNQCLSA-N 464.225 4.723 10 10 JJCE Cc1ccc2c(c1)c(C=C1C(=O)NC(=O)N(Cc3ccccc3)C1=O)c(C)n2CCOc1ccccc1 2293347027 AIGVUKTZZJGKNP-UHFFFAOYSA-N 493.563 4.999 10 10 JJCE CC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1 2297310411 SJWAJVRVVZDJKC-UHFFFAOYSA-N 454.939 4.745 10 10 JJCE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 2313682623 HMZIDLBVWQDZQU-UHFFFAOYSA-N 487.487 4.536 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1 2314647860 KCZHBYFJJHKHJK-UHFFFAOYSA-N 479.602 4.920 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933362 AVSLJZPTZWWFNS-INIZCTEOSA-N 461.536 4.872 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 2323880150 WZRJJLVCESLPIW-FQEVSTJZSA-N 486.659 4.997 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1O 14459683 BTXSYNVSALDCOG-OUDXUNEISA-N 474.582 4.979 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 14550698 ZMVKHYMOXRERFL-ZEVJAHDQSA-N 475.570 4.942 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33468432 GUEGRHAZPBAEHQ-AQTBWJFISA-N 468.604 4.599 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccccc2C=O)cc1 72413195 GOVNWZANEHFZCP-DEOSSOPVSA-N 461.949 4.975 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc4ccccc24)N3)CC1 226705239 OEMAUOSXKADPAZ-RWCIVJTCSA-N 459.615 4.602 10 10 JJCE Nc1ccc(N(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 243011128 HWABLDMGYDYMNV-SANMLTNESA-N 461.521 4.841 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526571603 LDQLENWPPBMJRY-DEOSSOPVSA-N 490.512 4.521 10 10 JJCE CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H](C)Cc1ccc(OC)cc1 731401642 KVTZDRYLAZYILC-GOSISDBHSA-N 479.543 4.713 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)cc1[N+](=O)[O-] 1083936510 ANJQBOZJRGZNAG-VIZOYTHASA-N 451.323 4.777 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 1083986154 AEDDSXIBKODAFT-STZFKDTASA-N 486.615 4.932 10 10 JJCE CN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(c2ccccc2)C1=O 1084505411 QSPFANVVCMGRBN-ATVHPVEESA-N 451.822 4.517 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)sc(C)c1-c1ccc(OCC)cc1 1860647404 YTLLMDLNCDJHSE-GOSISDBHSA-N 472.607 4.886 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(OC)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866494368 PGKPDMXYQUXYNA-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE CN(C)Cc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1O 1951780540 HLWGGOKXIZYNDF-LJQANCHMSA-N 474.557 4.551 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)cc1C 2079843099 CPGIVMBQPCMORA-OAHLLOKOSA-N 463.310 4.842 10 10 JJCE Cc1ccc(OCCCn2cc(C=C3C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 2293561050 QFZJLYHCCNZBSA-UHFFFAOYSA-N 451.526 4.880 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)N(C)C2=O)cc1OC 2293692859 SNOGQTSBZKKDLY-UHFFFAOYSA-N 465.980 4.646 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)cc1 2296645061 WDGJVJHAUQOEEB-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 2314761663 WIUZGRWKQPVQEB-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 2323879563 GFARJOVHWNLPJX-UHFFFAOYSA-N 468.644 4.960 10 10 JJCE COc1ccc(C2=NN(C)C(=O)C2=Cc2ccc(OCCCc3ccccc3)c(OC)c2)cc1 2332126849 KQCNQZHZAJRQQP-UHFFFAOYSA-N 456.542 4.975 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14471857 BQKVEJUXVDZPDL-SLSDLSHTSA-N 461.543 4.900 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15045938 HUSSKWXPHSIMPQ-MFVBVHDHSA-N 461.406 4.986 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(Sc3ccccc3)nc12 33534339 BXMAJOFIWHGJLQ-CXDFQFJYSA-N 495.651 4.534 10 10 JJCE COc1ccc(N2CCN(c3ncnc(NN(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])CC2)cc1 40611181 FGUJVSJGXIVJOY-UHFFFAOYSA-N 497.559 4.885 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 59138802 MKFHAXAQFJHWFS-MOSHPQCFSA-N 463.921 4.765 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1 110358850 CPZYGYUOIDBCSD-OUKQBFOZSA-N 464.997 4.700 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 251375594 RTGWGBLORGYGOY-BQVUBFBJSA-N 470.591 4.524 10 10 JJCE Cc1ccc(O)c(CNc2cc(I)cc(I)c2)c1 709845771 RPWZYUSJMHSNIY-UHFFFAOYSA-N 465.072 4.522 10 10 JJCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1c(Cl)c2ccccc2oc1=O 1848441269 QAGIZOSBSNCUIB-CXUHLZMHSA-N 458.904 4.756 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(Cl)cn4)c4ccccc34)[C@@H]21 1860344710 ADERNJPZCFBIGP-AREMUKBSSA-N 485.975 4.865 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017286 JGVSTLCZPAZEKW-NRFANRHFSA-N 496.995 4.500 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677694 XSELJPRLMSJYKC-PXLXIMEGSA-N 481.568 4.663 10 10 JJCE O=C(Cc1ccc2cc(Br)ccc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866167384 UAEATXLQBAABPF-UHFFFAOYSA-N 471.310 4.954 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425372 VSLPFZYXBNVYLG-UHFFFAOYSA-N 499.659 4.694 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(CN)c2I)cc1C 2079836788 KJXUWBGYTDFAPW-INIZCTEOSA-N 461.294 4.596 10 10 JJCE O=C(CN1C(=O)SC(=Cc2cc(Cl)cc(Br)c2O)C1=O)Nc1ccccc1F 2293990179 CKLGFWLDCKWTBE-UHFFFAOYSA-N 485.718 4.622 10 10 JJCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 2294229454 VJAMQFRXKVBVJF-UHFFFAOYSA-N 457.338 4.987 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 2296741627 GCQAIKLAUPIXAH-UHFFFAOYSA-N 451.551 4.829 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1 2297335307 OIBUMXZXYFWVCZ-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33351706 GMMSIVBKPCYJGI-VXLYETTFSA-N 482.606 4.611 10 10 JJCE COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3cccc(OC)c3O)CC2)cc1 34683211 DKAXZGXXESEUPK-UHFFFAOYSA-N 476.573 4.729 10 10 JJCE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990408 PRLKCLRUIQYNNC-SMEDBKPVSA-N 472.680 4.676 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 64928974 VGKDRNWGIBMPPU-QFIPXVFZSA-N 461.585 4.662 10 10 JJCE Cc1cc(CCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C)n1-c1ccccc1 746426918 SDWPUVLPUMFSID-BUHFOSPRSA-N 455.602 4.705 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 1084364693 XGUAFOFENWCKLG-BKUYFWCQSA-N 450.853 4.725 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc(Br)c1O 1858589840 MBJZOFICLWXDAD-OVCLIPMQSA-N 485.469 4.674 10 10 JJCE C[C@H](NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)c1ccccc1 1860344781 GBSYDEKSJQAWEY-IBGZPJMESA-N 462.553 4.842 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 1866021414 YKFXUQRWHJJGFG-UHFFFAOYSA-N 481.530 4.507 10 10 JJCE Cc1cccc(-c2ccc3[nH]c(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)cc(=O)c3c2)c1 1866563979 ZSMPMUFGXJDNPV-MUUNZHRXSA-N 491.595 4.822 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873169558 PGFICQJPKGDJHT-AREMUKBSSA-N 483.612 4.760 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079051532 GVNAOENFHPJMKG-ZDUSSCGKSA-N 453.246 4.738 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079954913 SNHJDDAAPDFJNK-GOSISDBHSA-N 482.362 4.939 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080011631 CVUWHSDOKGEHPZ-KRWDZBQOSA-N 454.352 4.599 10 10 JJCE Cc1cc(C)cc(OCCn2cc(C=C3C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 2293509358 LLPWGQVZGYQKJO-UHFFFAOYSA-N 451.526 4.799 10 10 JJCE COc1ccc(CCNC(=O)CCN2C(=O)C(=Cc3ccc(C(C)C)cc3)SC2=S)cc1OC 2296730338 YDQSTSLKBWRLQG-UHFFFAOYSA-N 498.670 4.777 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccco3)SC2=S)cc1 2314831535 MXXSMQKCSVZHFE-UHFFFAOYSA-N 472.588 4.857 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(C3CCN(C(=O)OCC)CC3)C2=O)cc1OCC 2323858105 DXDYFPYFPXLWLT-UHFFFAOYSA-N 478.636 4.696 10 10 JJCE CC[C@@](C)(NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330451567 HIBPIYUVPNJRAS-GDLZYMKVSA-N 466.537 4.789 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(Oc3ccc(F)cc3)nc12 2234773 PGQQEVPJHWAQFE-WOJGMQOQSA-N 469.563 4.792 10 10 JJCE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34988903 AIRKFTLBYCHQCK-UHFFFAOYSA-N 499.277 4.547 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38598196 KACNIVAAZFBVMI-JOCHJYFZSA-N 473.495 4.600 10 10 JJCE COc1ccc(Br)cc1NC(=O)N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 101146084 ZAVBULJKFSKUTQ-GDNBJRDFSA-N 463.719 4.539 10 10 JJCE Oc1ccccc1CN1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n23)CC1 103320980 OUIJSAAZKXHLHO-UHFFFAOYSA-N 470.964 4.626 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4sccc4Br)cs3)cc2C[C@@H]1C 727249887 CSMNATUCJUCRKA-JTQLQIEISA-N 498.449 4.732 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2)sc(C)c1-c1ccc(Br)cc1 1860747030 QFDWHNITHQPKRS-UHFFFAOYSA-N 488.363 4.635 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)c2ccccc2)s1 1871279301 PJMCXQCQLHVWFL-UHFFFAOYSA-N 473.531 4.609 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCC2)C1=O 1873169816 XFTWUSYJDPJRCW-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419213 UTUWTCIGLYGGNF-LJQANCHMSA-N 495.501 4.882 10 10 JJCE O=C(OCc1ccccc1)N1CCC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 1948129956 KSLVTKJFMUYESN-QGZVFWFLSA-N 453.764 4.699 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078979139 HFCKWPVZSZKZSF-QGZVFWFLSA-N 468.335 4.801 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080005493 LJVXRVUUMKSEOY-GFCCVEGCSA-N 456.324 4.504 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080033117 IRFPGQDQYUYXQN-SNVBAGLBSA-N 482.240 4.615 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNCc1cc(Cl)cc(Br)c1O 2102798377 OHWJBPBDTIPJIU-LBPRGKRZSA-N 455.727 4.542 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2234533336 FENRFKVWLHPHEN-DCGLDWPTSA-N 459.812 4.933 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1 2296754040 VJXQJGYRIRMUIQ-UHFFFAOYSA-N 455.561 4.777 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)o1 2313548646 AXETVIGHAVDDQB-UHFFFAOYSA-N 451.276 4.684 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314413691 FCZHDRKQXWBPEM-UHFFFAOYSA-N 494.642 4.625 10 10 JJCE CC[C@@H](Nc1c(I)cnn1CC)c1cc(Br)ccc1O 2382008699 ICDDJUSQTMGIGB-GFCCVEGCSA-N 450.118 4.539 10 10 JJCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)C2)cc1 9637453 XPMVTFNFUBLIPC-JOCHJYFZSA-N 486.641 4.927 10 10 JJCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc2NC1=O 11857624 ZJWJNGXRMNBMNW-SECBINFHSA-N 470.359 4.637 10 10 JJCE C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15040861 PMAWPSWLZKPHJG-JTMDUIFQSA-N 478.595 4.564 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSc1ccc(C)cc1 20287282 LQKWVAJPBDSBGT-CJLVFECKSA-N 480.615 4.526 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 96468578 GPUDTFZJODWLPP-IUSLSNNWSA-N 465.893 4.717 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526255437 BACUHPYVRGYEBR-NRFANRHFSA-N 451.500 4.783 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 1858590402 OINURKKQJDVNNR-WUXMJOGZSA-N 477.917 4.806 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3C)CC2)cc1 1860270071 LOPJHVYKBREMDH-OAQYLSRUSA-N 498.579 4.893 10 10 JJCE CCCCOC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827442 YKKKHNUOAZAPGR-DQPIFXJKSA-N 474.604 4.612 10 10 JJCE CCCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865672670 JXRODSYOPRWGMK-UKTHLTGXSA-N 465.145 4.899 10 10 JJCE C[C@H](NC(=O)CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)C1CCCCC1 1866249416 DTUHVXPZKQOHNP-BKMJKUGQSA-N 470.702 4.651 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cn(C4CC4)c4cc(F)ccc4c3=O)cccc21 1866266492 AWKCEGQUPUPMRD-UHFFFAOYSA-N 452.441 4.503 10 10 JJCE COCCCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162155 ILQCAOSATRJOOQ-UHFFFAOYSA-N 492.019 4.696 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420293 XXLCCGHRMREVFI-VWLOTQADSA-N 484.600 4.531 10 10 JJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873424332 AKSKHFIIMRRAEG-UHFFFAOYSA-N 498.627 4.831 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnn(-c4ccc(F)cc4F)c3-n3cccc3)cccc21 1874017282 MTYDPPAOPIJYOD-UHFFFAOYSA-N 494.457 4.969 10 10 JJCE CCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1sc2ccccc2c1=O 1874179324 YFFPSHBTPKMZGW-FQEVSTJZSA-N 456.523 4.818 10 10 JJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C1CCC1 2079673083 BYGBCIFRGYBOPX-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047412 DTUMNFGFKIAUHN-AWEZNQCLSA-N 465.257 4.801 10 10 JJCE COc1cccc(OCCCn2cc(C=C3C(=N)N4C=CSC4=NC3=O)c3ccccc32)c1 2293152759 ISIQKTOLQRBOEC-UHFFFAOYSA-N 458.543 4.896 10 10 JJCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)c1 2294400628 YNUOKRCJNDKNNK-UHFFFAOYSA-N 484.386 4.780 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1C 2296655604 ILFRZFWGQGAKMC-UHFFFAOYSA-N 497.379 4.676 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 2296885068 AGNCMMIJUBGXNN-UHFFFAOYSA-N 470.959 4.676 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=CNCCC(c3ccccc3)c3ccccc3)C2=O)c1 2296930521 NKPODRVPSMOABD-UHFFFAOYSA-N 453.542 4.582 10 10 JJCE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)cc1 2297364751 RBZMVKYYPNBGBV-UHFFFAOYSA-N 493.610 4.668 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 2297533525 JUWWZSYCQTWNQT-UHFFFAOYSA-N 480.549 4.869 10 10 JJCE CCOc1cccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1O 2323882090 BDJMCDXYKYBWDH-LJQANCHMSA-N 454.617 4.829 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F 2332141329 SOTGXTZOLJKQAW-UHFFFAOYSA-N 485.256 4.823 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccc(O)cc2)C1=O 15044337 VTAKMOJSCDZLGO-HKWRFOASSA-N 456.589 4.801 10 10 JJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15049011 PDAJNOYWNPQUDG-YUSFRKCESA-N 451.400 4.900 10 10 JJCE Nc1cc(Oc2cccc(F)c2)c(N)c2c1C(=O)c1c(N)cc(Oc3cccc(F)c3)c(N)c1C2=O 59301102 GLLGRVUJQJBYAU-UHFFFAOYSA-N 488.450 4.654 10 10 JJCE O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 96893020 JSKHEDTZDNOCMX-GZTJUZNOSA-N 471.347 4.902 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 213211682 AHUNCDQXLLFMCF-HKWRFOASSA-N 495.626 4.731 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 1084410193 WXKVBFKUFNNMPQ-BKUYFWCQSA-N 459.458 4.700 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F 1084485501 ZYNXWSICIHGVAD-MOSHPQCFSA-N 478.451 4.609 10 10 JJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1705525368 GCQKWETVLCIYIR-DEOSSOPVSA-N 486.664 4.899 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc(C)c1-c1ccc(C)cc1 1860749208 YAGURUOUMNTEHH-UHFFFAOYSA-N 487.921 4.957 10 10 JJCE CCCCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccn1 1862329752 PKYMYRQEZXRPAX-UHFFFAOYSA-N 450.498 4.638 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CC(C)C)CC2)cc1 1870619049 COXWWTDTJJOARW-UHFFFAOYSA-N 475.633 4.723 10 10 JJCE CCCNC(=O)COc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871132662 DCQOQEMGBRVASZ-UHFFFAOYSA-N 492.620 4.536 10 10 JJCE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2080022727 OFBKBWNCXGAPTQ-GOSISDBHSA-N 454.308 4.527 10 10 JJCE CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106882173 BDXJFLZYRNGBSK-UHFFFAOYSA-N 462.635 4.549 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 2297347496 AZRBPYHVOARDSZ-UHFFFAOYSA-N 496.317 4.517 10 10 JJCE COCCN1C(=O)C(=Cc2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)SC1=S 2314508882 RITXUERNAVXNIP-UHFFFAOYSA-N 495.626 4.766 10 10 JJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1)C(=O)O 2314926706 PXDOMRDNWGIFCG-MRXNPFEDSA-N 479.620 4.945 10 10 JJCE CCCCOC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945349 YKKKHNUOAZAPGR-OAHLLOKOSA-N 474.604 4.612 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 2533654 ISGFVBOBYPNSEZ-GHVJWSGMSA-N 491.638 4.884 10 10 JJCE CN(C)c1ccc(CNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 8603674 VFUYXKAZXVVHRU-UHFFFAOYSA-N 456.590 4.986 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15036323 DKDPHNHFRPCQQZ-ZSOIEALJSA-N 468.343 4.742 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N2O1 20236839 RWXSDLLNQMFSBB-ZWCAKHMGSA-N 451.910 4.865 10 10 JJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 33431361 PPYDWJPOFVMIFX-RYKSGODTSA-N 481.595 4.694 10 10 JJCE COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 33932672 DHQRUUABXUKXLE-GZTJUZNOSA-N 477.405 4.688 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCC)C2=O)c2ccccc21 40938717 JTGKDBYWPFIQAQ-VXPUYCOJSA-N 460.621 4.528 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)OCCC)C2=O)cc1OCC 206848222 PCCSVHRZFXVBAK-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526391594 GCAXCYVOVNANGM-XMMPIXPASA-N 460.486 4.512 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526430974 JOGGROGGXLEQSC-NRFANRHFSA-N 498.329 4.935 10 10 JJCE CCc1nc(N(C)CC(C)(C)c2ccccc2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869136304 ZWKSCHBYVQGSHM-UHFFFAOYSA-N 459.638 4.788 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(Cc3ccco3)C2=O)cc1 1873418860 DKXTZJIPKIUQGY-UHFFFAOYSA-N 495.535 4.851 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2053508589 AUXHKCASQCGBTB-CYBMUJFWSA-N 498.991 4.916 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079037846 PYUHJQUXJMVMEW-CQSZACIVSA-N 494.251 4.697 10 10 JJCE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2297293645 XPJMWYPSRSMRCE-UHFFFAOYSA-N 473.790 4.958 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC)c(Cl)c3)C2=O)c1 2313556737 JXMFKVPITMFSFA-UHFFFAOYSA-N 493.343 4.856 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O 14458873 HUAJTCFMISEHKP-XXAUWVGASA-N 476.598 4.748 10 10 JJCE Cc1ccc(-c2ccc(/C=C3/SC(Nc4cc(C(=O)O)cc(C(=O)O)c4)=NC3=O)o2)c([N+](=O)[O-])c1 39869930 PPGNTWOFNGFXHD-VXLYETTFSA-N 493.453 4.642 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526467386 KKTVOQPZXDEUAR-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNCc1cc(Cl)cc(Br)c1O 708190091 IOUUVYJPOYFBMF-CQSZACIVSA-N 459.812 4.935 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)C)C2=O)c(C)c1 1084291140 QYODDCKKWGSVAS-BOPFTXTBSA-N 457.324 4.520 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c(OC)c1 1084373992 CDQWYPGLEUCVSK-BKUYFWCQSA-N 489.597 4.559 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861929007 RASBIZPAEUWPGY-JOCHJYFZSA-N 478.420 4.639 10 10 JJCE CC[C@](C)(NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862156438 AJMSPJVKJNBETD-CHKMETFLSA-N 490.431 4.649 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)C[C@H](CNC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1865983098 IHTNYGPCXJQGCM-QGZVFWFLSA-N 457.452 4.852 10 10 JJCE COC(=O)c1c(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866215774 OIALXRMKRBUCBS-UHFFFAOYSA-N 490.581 4.681 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873167758 WJGGONCMEUPYPV-QHCPKHFHSA-N 484.644 4.867 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccs4)c4ccccc34)[C@H]21 1873863527 YBHYYFIQWDGKQD-SANMLTNESA-N 470.598 4.556 10 10 JJCE CCN[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C 2106861522 ZTYRYMRENDIZNF-DNQXCXABSA-N 453.627 4.830 10 10 JJCE CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2)cc1 2293476880 HYRPNEBHVZMXKI-UHFFFAOYSA-N 456.542 4.903 10 10 JJCE O=C(CN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1ccccc1Br 2297497674 XUFLKSSVYKSIDO-UHFFFAOYSA-N 459.390 4.845 10 10 JJCE CC(C)CC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 2297499687 VCQVWHGCZUQCGZ-UHFFFAOYSA-N 493.545 4.718 10 10 JJCE COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)C1=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2313578068 PQTJSHRHBTWIOF-UHFFFAOYSA-N 488.584 4.700 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Br)ccc2O)[nH]1 2362645329 PTNSUDFELDCTMW-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1 20236384 CGTODIWQXQCBRD-ZWCAKHMGSA-N 467.909 4.647 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCCc4cccc(OC)c4)c4ccccc4n3)CC2)cc1 25146556 ZLBUUOOLBDHEHW-UHFFFAOYSA-N 496.611 4.551 10 10 JJCE CC(C)CC1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 32964417 HXAFKAYPCPQLCA-CLGIPHTBSA-N 456.915 4.704 10 10 JJCE O=C1/C(=C/c2ccccc2I)SC(=S)N1c1ccc([N+](=O)[O-])cc1 34706853 VZATYJMXCVJSFM-ZROIWOOFSA-N 468.297 4.605 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(N4CCCN(Cc5ccc(C)cc5)C4=O)c3)CC2)cc1 35180933 IWJZFRQUCREWNA-UHFFFAOYSA-N 498.627 4.798 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 59536555 PRJXLOONEBSJDO-MOSHPQCFSA-N 476.916 4.984 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 206458008 CPWUICMSXOKCRO-RCCKNPSSSA-N 471.600 4.819 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCCC)C2=O)cc1OC 206871720 ZARCKHSPXNLVFL-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526418185 YQFPCXGUNJHQBU-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(F)F)CC1 1359364584 XCXGPMFCHRDEDJ-UHFFFAOYSA-N 484.595 4.703 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC[C@H](C)C1 1705590358 IXLQUDANRMXULL-ZCYQVOJMSA-N 482.676 4.936 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)sc(C)c1-c1ccccc1 1860747429 IOHIBOJEPWKUSA-UHFFFAOYSA-N 450.516 4.680 10 10 JJCE CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccc(Cl)cc1 1862307516 UZHQOGYMZKOSFF-UHFFFAOYSA-N 452.986 4.508 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCOc5ccccc54)nc(C(C)(C)C)n3)CC2)cc1 1867968906 FFDCBGXTRSGMIO-UHFFFAOYSA-N 459.594 4.640 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868946718 OHLYYRRZPOVEKB-YIXXDRMTSA-N 497.655 4.988 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(Cl)cc5)[nH]c4c3)CC2)cc1 1872798238 QCTSJXCCNOKJEM-UHFFFAOYSA-N 460.965 4.778 10 10 JJCE CCN1C(=O)C(NCCc2cn(C)c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162125 HMQLBZKVQMYVQJ-UHFFFAOYSA-N 466.585 4.518 10 10 JJCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106851221 QXZYQXYLDAVHOK-IGKIAQTJSA-N 452.643 4.573 10 10 JJCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2241049229 LEIAZJCNOAEIOP-YJOCZYATSA-N 459.812 4.980 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 2293854776 DKKLRRUCMOQNHM-UHFFFAOYSA-N 467.430 4.719 10 10 JJCE Cc1cc(C)cc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296024823 KUQYGUMGJJHLKA-UHFFFAOYSA-N 497.551 4.982 10 10 JJCE O=C(Oc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 2296727530 KSCSVSNGVQMGLE-GOSISDBHSA-N 459.976 4.939 10 10 JJCE COc1ccc(Cl)cc1C=C1C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O 2297334960 KJLUQFBCLXZVMX-UHFFFAOYSA-N 459.207 4.687 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(OC)c3)c(OC)c2)SC1=S 2297347356 XELVREOVEJWGEW-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297352799 XQWNDTCQBQJCGI-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE COc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 2297357569 WVPXHLUZWWYUST-UHFFFAOYSA-N 497.619 4.864 10 10 JJCE CCCN(CCC)C[C@@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2297359502 YMBMLYIRQXNBDM-XMMPIXPASA-N 458.606 4.930 10 10 JJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1 2297470672 OESBMBLEMMIUGU-UHFFFAOYSA-N 485.569 4.801 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)cc1 2313549128 NTXFOBQZRDOEQG-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 843293 XZJXAPUSWVFWQK-LDADJPATSA-N 451.276 4.684 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1 95925580 ZTAWBQKTROUHHG-XDHOZWIPSA-N 468.918 4.900 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1nc2ccc(F)cc2s1 208740430 BZUCVJMITBTDHI-CXUHLZMHSA-N 461.540 4.805 10 10 JJCE CCCS(=O)(=O)Nc1cccc(NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1C 729580285 NXAUWJLVEMAXLX-UHFFFAOYSA-N 468.623 4.918 10 10 JJCE COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 748934081 OCDKOWNGFMZIMV-UHFFFAOYSA-N 453.929 4.798 10 10 JJCE CC[C@H](C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857766 HESLEZHRMGAHPV-HOTGVXAUSA-N 487.512 4.610 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5c[nH]nc5c4)c4ccccc34)[C@@H]21 1873888543 PZDHWRQQLRPFLS-MUUNZHRXSA-N 490.567 4.693 10 10 JJCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC3=CCCCC3)ncnc21 1875200758 HCVNZHXAPWTIGG-UHFFFAOYSA-N 488.636 4.725 10 10 JJCE CN1CCc2cc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(F)(F)C(=O)O)ccc21 1927458589 DHMROISKAOWTAE-XMMPIXPASA-N 478.495 4.979 10 10 JJCE CN1CCc2cc([C@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106854256 ATPPNUKOMNSEQJ-IGKIAQTJSA-N 451.611 4.523 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccccc2Cl)c1C 2294034630 NSPRFPULOPZELK-LJQANCHMSA-N 454.954 4.599 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1Cl 2313557980 QDOQRWCPQZUFEB-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 15037410 WLBMAOMMMGPPNX-ATVHPVEESA-N 461.406 4.988 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 15045119 XXFXVSFUBLIFPG-LGMDPLHJSA-N 477.633 4.648 10 10 JJCE Cc1ccccc1COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35190586 METCZUXBFMJMPY-STZFKDTASA-N 463.331 4.798 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccncc4)n4c3ccc3ccccc34)CC2)cc1 1858206382 QQCUUAJYCUHVQA-UHFFFAOYSA-N 463.541 4.521 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)c(C)s1 1859574586 WCPYVGMGXLYROH-CYBMUJFWSA-N 457.577 4.600 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(c2cccc(Cl)c2)CC1 1860484658 XZPSFGUGIGDMLJ-CYYJNZCTSA-N 474.005 4.795 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(N)cc2O)sc(C)c1-c1ccc(Br)cc1 1865947356 CIJUSOGZGYAQNU-UHFFFAOYSA-N 461.337 4.813 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3cccc(OC)c3)c(C)cc2=O)sc(C)c1-c1ccccc1 1866286458 OMMRFCLHJSNYDL-UHFFFAOYSA-N 489.553 4.625 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867948287 LFYOGTPOSOTRAB-ZRZAMGCNSA-N 471.649 4.885 10 10 JJCE CCCCCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871132270 LSOAVTYVZXURAN-UHFFFAOYSA-N 465.594 4.782 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421428 XIQCHISPGIXDCE-UHFFFAOYSA-N 478.543 4.516 10 10 JJCE C[C@@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCN2C 1927484871 NTMQBRDEXWOCNF-QUGAMOGWSA-N 456.542 4.979 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccccc1C(=O)O 2296882273 MRXSCGOGYSXJAB-UHFFFAOYSA-N 460.602 4.847 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 2297458193 KXRDNTWZLKSZHK-UHFFFAOYSA-N 480.521 4.719 10 10 JJCE CC(=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 2297507841 YFZWHSNTFWODBY-UHFFFAOYSA-N 489.498 4.797 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3ccc(Br)cc3)C2=O)c1 2313502068 MWSBMRHFRGXBOL-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414350 WXKDFQDTHWSZRV-UHFFFAOYSA-N 471.007 4.571 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCCC(C)C 2314769134 OBGRQMAIIGLPGO-UHFFFAOYSA-N 488.425 4.559 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)ccc1OC(C)C 2314769178 ONADPJYKOOFYQR-OAQYLSRUSA-N 471.600 4.988 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1 14550775 QBSQICAKDRXVHQ-IMSXRSKXSA-N 453.564 4.986 10 10 JJCE Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 18245348 NQRWWEGBLUCECI-UHFFFAOYSA-N 472.614 4.511 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 39875030 BSLFCQSRBBFBLH-UNOMPAQXSA-N 499.639 4.934 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccc2ccccc12 100277059 FHFJBNSDWMBODP-HAVVHWLPSA-N 457.526 4.772 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 110360159 BXNNPJOVPGIOKF-YCRREMRBSA-N 468.447 4.696 10 10 JJCE COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](OCc3ccccc3)[C@@H]2N=[N+]=[N-])cc1 503904141 ZTAXYCGZXSYIMV-LXSUACKSSA-N 491.544 4.641 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526217379 UMSOFZRRJRZMFS-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526217505 YRVRLXZHKQXCOV-RUZDIDTESA-N 460.530 4.836 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418606 QESIVHFPPYNNIL-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC)C1=O 1873420370 MOHQKKJCJJROBM-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422544 CJOCDSUNBRRPOP-UHFFFAOYSA-N 471.557 4.871 10 10 JJCE CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874017585 SGTWNSZILNYWKK-INIZCTEOSA-N 481.504 4.845 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079015023 MRWFJJKJNMKMMH-SFHVURJKSA-N 454.352 4.897 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080024481 JHAKZFHIEBQCHJ-IBGZPJMESA-N 496.345 4.646 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl 2297303368 ZJXJXFWYXJFVBU-UHFFFAOYSA-N 466.896 4.918 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 2314486872 NGSSHFXULYTDSS-UHFFFAOYSA-N 482.627 4.738 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2314769346 PASBHKDYNJXPQH-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1 3650069 HHVBVRZVZZLFED-DHZHZOJOSA-N 464.573 4.620 10 10 JJCE CCOc1cc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)ccc1OCCC(=O)O 16920140 CKUSWYCTAJJKMV-LDADJPATSA-N 491.363 4.784 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cc(OC)ccc2OC)c1 20071367 LOHKUOAOLOHYEE-LVXARBLLSA-N 462.502 4.669 10 10 JJCE COc1ccc(CN2C(=O)/C(=C\c3cc4cc(C)ccc4nc3N3CCOCC3)SC2=S)cc1 208280649 LCAGGCJZUGILJJ-HZHRSRAPSA-N 491.638 4.790 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 210753731 GQLMYVOZGNWUBO-HMMYKYKNSA-N 487.647 4.691 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526214837 WLNXHANGVCZPNZ-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OCC 1084184216 LATSDBOVACTRGX-WJDWOHSUSA-N 487.350 4.530 10 10 JJCE COc1cccc(C(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 1860826742 LLSLQYNHGXVSLY-LPYMAVHISA-N 494.594 4.599 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168271 OZYVSEKRZRUKNQ-JOCHJYFZSA-N 482.628 4.619 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccccc3)n4CC(C)C)CC2)cc1 1873650653 ZAMITSLIJFJENI-UHFFFAOYSA-N 484.604 4.675 10 10 JJCE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(O)c(O)c1 1951973894 YGVBPIPYEDJKMV-QFIPXVFZSA-N 461.514 4.757 10 10 JJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079858778 VNTCOMZOCNABHX-AWEZNQCLSA-N 482.240 4.669 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 2293131261 VRPOTXVBVBHOKM-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 2314509744 YHWCPIKYSGXZNG-UHFFFAOYSA-N 451.573 4.715 10 10 JJCE CCCOC(=O)[C@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945438 UTOSUNUQCPKIAL-KRWDZBQOSA-N 474.604 4.612 10 10 JJCE COc1ccc2[nH]cc(CCN(Cc3ccc(OC)c(OC)c3)C(=S)NCc3ccco3)c2c1 21022005 LSKLVLAHMMEWKP-UHFFFAOYSA-N 479.602 4.906 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1cccnc1 33417131 FOUHSMMAMWAHSV-ODLFYWEKSA-N 465.307 4.758 10 10 JJCE N=C1/C(=C/c2ccc(OCCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 33652872 RUGURQZIKRKTOF-GJXXPDGXSA-N 485.363 4.546 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1nccs1 35520071 PDPVLGABRNTIAS-LDADJPATSA-N 489.644 4.703 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)o2)cc1 100700755 BMQXELHGFSGGJK-LDADJPATSA-N 464.861 4.891 10 10 JJCE CCOC(=O)[C@@H]1N2C(=O)[C@@H](N=[N+]=[N-])[C@@]2(c2ccccc2)SC12c1ccccc1-c1ccccc12 169615684 LGDCTGUWGJXHDU-TVZXLZGTSA-N 468.538 4.963 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210723335 VLKYUUVLIWKXKY-XDHOZWIPSA-N 466.544 4.696 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226692423 JWXUZIZOLGATRW-XITLKHQFSA-N 489.981 4.532 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(N(C)C)cc1 526479802 HLNNPQMMHGFJNU-XMMPIXPASA-N 488.540 4.614 10 10 JJCE COc1ccc(N2CCN(Cn3ccn(-c4ccc(Br)cc4)c3=S)CC2)cc1 1086857380 MJZMLCMEBDKKNH-UHFFFAOYSA-N 459.413 4.559 10 10 JJCE Cc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347413 OOQZKEAXLMAQSW-MHZLTWQESA-N 450.542 4.735 10 10 JJCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1873165804 VVFKEEMABXKVGH-UHFFFAOYSA-N 497.517 4.629 10 10 JJCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427126 DCWADHYPTZSONN-UHFFFAOYSA-N 482.628 4.943 10 10 JJCE CC[C@@H](NCCC1(OC)CN(C(=O)OCc2ccccc2)C1)c1cc(Br)ccc1O 2167650361 GKZUFMACYMQALD-HXUWFJFHSA-N 477.399 4.623 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 2294732707 CTBQIZYFTVBKHZ-UHFFFAOYSA-N 469.375 4.867 10 10 JJCE CCn1c(C=Cc2c[nH]c3ccc(OC)cc23)nc2ccc(I)cc2c1=O 2297469613 DSEOBALXSWAHDH-UHFFFAOYSA-N 471.298 4.681 10 10 JJCE CC1=CN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1 2297499750 ZKQKSMHLVKZZKN-UHFFFAOYSA-N 486.322 4.974 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 2313559259 VBPSWNUEEDXFPF-UHFFFAOYSA-N 476.529 4.553 10 10 JJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2314508912 RPELVLVTBOMCAM-UHFFFAOYSA-N 481.599 4.661 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 2314509738 YDTAFXHWYGTSCD-OAHLLOKOSA-N 451.573 4.795 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)ccc1O 2323882397 VTKAVZFFRLOTFF-LJQANCHMSA-N 454.617 4.829 10 10 JJCE CCCOc1c(Br)cc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 2332114548 QCNVJGQEOBGAGQ-UHFFFAOYSA-N 484.272 4.990 10 10 JJCE Cc1cccc2cc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 38732274 YJIUXLPMEVTKHK-STZFKDTASA-N 479.602 4.920 10 10 JJCE O=C1N=C(O)/C(=C/c2ccccc2Br)C(=O)N1c1ccc(Br)cc1 59198182 ZWMHUPBXVYXHBB-LCYFTJDESA-N 450.086 4.718 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)cc1 104372866 YNXBPUMFLCTXDM-XVDLVXLGSA-N 468.560 4.699 10 10 JJCE CCCOc1c(Cl)cc(/C=C/C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1OC 108427066 CSHKINAVIYXHCT-IZZDOVSWSA-N 458.986 4.898 10 10 JJCE Cc1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1cccc(Br)c1 726948804 QLDLVTQOTGEZDH-UHFFFAOYSA-N 486.332 4.530 10 10 JJCE C=CCC(C)(C)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705802310 HJFPAOPCCKIUJX-MUUNZHRXSA-N 497.684 4.646 10 10 JJCE COc1ccc(OC)c(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860344742 CLSDLTRDPMZTJI-UHFFFAOYSA-N 494.551 4.620 10 10 JJCE O=C(CCNCc1cccc(Cl)c1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860712380 UTZDHUPLEIQHMD-UHFFFAOYSA-N 453.325 4.887 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654505 WCHIJXQRDLXVJV-UDWIEESQSA-N 465.303 4.703 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865678096 TWGUAUZFWIRAHN-UDWIEESQSA-N 463.877 4.793 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(Cl)ccc(Cl)c4c3=O)cccc21 1866449229 LPPAJFVCDWRRFU-UHFFFAOYSA-N 463.276 4.863 10 10 JJCE CCCCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(C)cc1 1869969567 FIMBXLGCQIYNBW-UHFFFAOYSA-N 476.625 4.820 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccccc3F)CC2)cc1 1870612606 FVOASTNZRIUELP-UHFFFAOYSA-N 491.607 4.712 10 10 JJCE CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873166929 LQDKRFBELABCMJ-HSZRJFAPSA-N 464.654 4.684 10 10 JJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(=O)O 2079938603 GEKUXBHPEOOLPO-INIZCTEOSA-N 456.324 4.706 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O 2296755490 CYSGAQMNVSRJPO-UHFFFAOYSA-N 483.796 4.648 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 2297322149 OSEZWXSLBJGJLR-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE COc1ccc(C=C2SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=S)cc1 2297450107 XTHKFXOJLPYEAD-UHFFFAOYSA-N 456.545 4.649 10 10 JJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O)C(C)=O 2314927071 YQSQXXSJJGXWOW-GOSISDBHSA-N 455.557 4.845 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 33316965 XSQFSOZYVKTUAK-MRKXPFMVSA-N 456.483 4.507 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 33511263 WGXKZPTWBYAVTL-CYVLTUHYSA-N 464.616 4.698 10 10 JJCE CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)NC1=S 33771598 PCHVREAHXQEPGX-LICLKQGHSA-N 479.371 4.643 10 10 JJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 37420555 AXDRYOUQERXRES-UHFFFAOYSA-N 491.654 4.960 10 10 JJCE Cc1ccccc1NC(=O)C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O 54201741 MDTYJSGXUVABSR-VWNXMTODSA-N 484.581 4.879 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)c1 59087206 NVKVUFBVZRVUAQ-UQQQWYQISA-N 484.556 4.746 10 10 JJCE [N-]=[N+]=N[C@@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H](O)[C@@H]1OCc1ccccc1 381051245 HEPLJHDCXLLGPB-LXSUACKSSA-N 475.545 4.770 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526307786 IGMATXGBKPDLLS-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE OC1CCN(c2ccc(CNc3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)cc2F)CC1 726967728 TZEBKFJZXWLVSG-UHFFFAOYSA-N 487.366 4.810 10 10 JJCE CCN(CC)c1ccc(CNC(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)cc1F 731365038 ZWRRIFDFPLYZPX-UHFFFAOYSA-N 457.590 4.537 10 10 JJCE CC(=O)N(c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1)C1CC1 1310820280 SWQKEFJIOOCVSV-SFHVURJKSA-N 458.509 4.594 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 1772759683 YULMISQBZKOLEJ-LDKXMGCTSA-N 453.545 4.770 10 10 JJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4cc(Cl)ccc4OC)sc3C)ccc21 1859573229 FWPXIBOBYJKAGD-UHFFFAOYSA-N 492.022 4.880 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccccc1 1860658147 SBUUQNMDJIOFKJ-IBGZPJMESA-N 469.607 4.767 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)n(C)n3)CC2)cc1 1862379064 JZIALBXUTXNIRW-UHFFFAOYSA-N 452.558 4.725 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1865861510 FHSTWVGKONRBQT-CLJLJLNGSA-N 494.680 4.532 10 10 JJCE C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867017881 SQDLMVJHEOKDHU-NIYFSFCBSA-N 494.591 4.954 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873164766 RAGIUSVVRUTCLR-UHFFFAOYSA-N 481.600 4.683 10 10 JJCE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)ccc3[nH]2)cc1 1873506460 IGMRZIXVGGEEBQ-RMKNXTFCSA-N 465.601 4.767 10 10 JJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C(=O)O 2079938604 GEKUXBHPEOOLPO-MRXNPFEDSA-N 456.324 4.706 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N1C(=O)OCc1ccccc1 2106880337 IIJATXNQNDDEFH-BGYRXZFFSA-N 494.636 4.798 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 2293261754 XUHGCDDSIWTLRD-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC 2297499030 ZHYUNTCSPSNLJC-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Br 2313549084 MTZMNWLJAOBUBV-UHFFFAOYSA-N 479.330 4.722 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 2314837279 QLKOAQAZJWVDIX-UHFFFAOYSA-N 484.643 4.869 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 2314929488 NJAGEGJGQNENFX-UHFFFAOYSA-N 472.588 4.654 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 2314937079 HSKSMVWLHMTUAR-UHFFFAOYSA-N 464.515 4.614 10 10 JJCE Cc1ccc(CNCc2cc(Br)c(Br)o2)c(O)c1Br 2352695209 YUXYYJPDORURQM-UHFFFAOYSA-N 453.956 4.871 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc4nc(C)nc(N5CCCC[C@@H]5C)c4c3C)CC2)cc1 2924469 FQQVRLCTKRCTFQ-KRWDZBQOSA-N 479.650 4.658 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479305 WANPMVLYQNMZSE-RLSLOFABSA-N 454.592 4.705 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3ccc4c(SCc5ccc(C)cc5)nccc43)CC2)cc1 33298598 LMCGDBUIZAXPTD-UHFFFAOYSA-N 486.641 4.994 10 10 JJCE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3cccs3)C(=O)N=C2O)c2ccccc21 33457462 YZGBUQQIRATGRY-VYVDHXHBSA-N 490.585 4.606 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490844 JPQOAICVTBFXIE-ODLFYWEKSA-N 470.664 4.851 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCCC(C)C 40927763 KPSLHDWDPUQEDM-XMHGGMMESA-N 451.610 4.966 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N12 104372872 SATBZJJHTRRWLP-XYTBZZNTSA-N 455.521 4.821 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 213173695 JQGHXOOSFHCRMW-HKWRFOASSA-N 495.626 4.731 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860748981 RGHWYEYXWUFRHS-UHFFFAOYSA-N 479.558 4.663 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1868662810 SYIIMVDBWOKYPE-PIKQWGIYSA-N 497.639 4.867 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869142 QWIUZAGJBXQPGL-FTJBHMTQSA-N 498.067 4.866 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cc5ccccc5n4C)cc3)CC2)cc1 1874757413 SWKABOGOYDZUCG-UHFFFAOYSA-N 496.611 4.834 10 10 JJCE CN1CCc2cc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(F)(F)C(=O)O)ccc21 1927458588 DHMROISKAOWTAE-DEOSSOPVSA-N 478.495 4.979 10 10 JJCE CCN1CCc2cc([C@@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163072627 BTUXTYDGLYZKQY-RUZDIDTESA-N 465.638 4.662 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)N(CCO)c2ccccc2)C1=O 2296808068 PCKIPJKXJUHGIU-UHFFFAOYSA-N 466.628 4.640 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c2ccccc21 2314767721 HOMUPBSTGUMJAE-LJQANCHMSA-N 466.584 4.621 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(Cc2ccc(Cl)cc2)C1=O 2452169 RQGOUZQOWIZOKS-PFONDFGASA-N 465.781 4.826 10 10 JJCE COc1ccc(N2CCC(NC(=O)COc3cc4sc(C)nc4c4sccc34)CC2)cc1 110475062 BDRPAHFQFOOESF-UHFFFAOYSA-N 467.616 4.992 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)SC1=S 206845522 FXFDFNIELZSVEJ-RGEXLXHISA-N 451.610 4.665 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC=C(C)C)[C@H](C)C1 1741041505 LOGNRTIPFWCQPV-OAQYLSRUSA-N 460.626 4.766 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCc5ccccc5C4)c4ccccc34)[C@@H]21 1860344745 COXLASNHKYYKFW-SSEXGKCCSA-N 490.607 4.763 10 10 JJCE COCCOC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870907264 BWEOOOZRRJKVTP-UHFFFAOYSA-N 493.604 4.819 10 10 JJCE Cc1ccc(C)c(CN2C(=O)C(NCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873165743 SJIPJLNULGBMRJ-UHFFFAOYSA-N 484.644 4.532 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419472 GYNGXXMQNQCUKB-NRFANRHFSA-N 459.521 4.604 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2078992539 PNMQXNPWLZMWOG-SFHVURJKSA-N 466.319 4.555 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079954596 OFFAXFPEDXDNJG-SFHVURJKSA-N 468.335 4.549 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC(C)C 2293497264 CRBUGWIIVUZGSN-UHFFFAOYSA-N 476.314 4.893 10 10 JJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Br)cc1 2293631478 XIWFBVOQYPXJQP-UHFFFAOYSA-N 475.364 4.533 10 10 JJCE CCOc1cc(Br)cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)c1O 2297303136 YIHAPZGYQLPKJP-UHFFFAOYSA-N 450.379 4.955 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc([N+](=O)[O-])c1O 2321647201 WNJIKUTWNQZTPE-UHFFFAOYSA-N 454.485 4.574 10 10 JJCE COc1ccc2[nH]cc(C=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c2c1 2323790567 SETDJIGMBAAGNJ-UHFFFAOYSA-N 454.573 4.638 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 9597239 ZPXOTTBRQRSYEM-DENIHFKCSA-N 452.308 4.801 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 16216943 GAKFKIMLKHQMJT-MOSHPQCFSA-N 492.915 4.603 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4)n3)CC2)cc1 108432241 OSDMONMLTULPTP-NTEUORMPSA-N 476.602 4.588 10 10 JJCE CC1CCN(C(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)CC1 211950959 KOODXTDMYGQCTI-DQRAZIAOSA-N 450.629 4.802 10 10 JJCE C/C(=C\c1ccc(Cl)cc1)CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1656174393 VFFZJEQFFWQYCD-XDJHFCHBSA-N 451.977 4.789 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665586 BMDRRAFQFCKFRU-QOMWVZHYSA-N 497.595 4.549 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCc2ccccc2)cc1OCCO 1870787298 BPUKFKNVHHKCPD-UHFFFAOYSA-N 455.558 4.818 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(=O)n(-c3ccc(F)cc3)cnc2c1 1874017008 KUBDCGAVEPSZTI-UHFFFAOYSA-N 489.462 4.553 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)c(O)c2O)C1 1952527090 ATZDZLJTBANPGO-QRQCRPRQSA-N 475.497 4.590 10 10 JJCE Oc1c(F)cc(Br)cc1CNc1cc(Br)cnc1Br 2228979159 HQNJBZUIWYEQPK-UHFFFAOYSA-N 454.919 4.826 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ncc(Br)cc1Br 2297321443 IXRYPTJEIISHGI-UHFFFAOYSA-N 464.161 4.942 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1Cl 2313558743 IPYSFWIRSZFYSV-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2313681723 LTVSXIMSSPEGBD-UHFFFAOYSA-N 461.522 4.694 10 10 JJCE C[C@H]1CN(C(=O)c2cc3cc(C4(O)CCN(Cc5cc(Cl)ccc5O)CC4)ccc3o2)C[C@@H](C)O1 14996443 AOISLNMLWBSCIA-HDICACEKSA-N 499.007 4.525 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15046360 HYBBQWNHPGSPLV-XBTXGSBDSA-N 481.368 4.522 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C(=O)O)c1OC 16906161 DWTANCOHVNDWKL-VGOFMYFVSA-N 453.900 4.600 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2C[C@@H]1C 21044921 RWCLDXMHHQZXOK-INIZCTEOSA-N 472.010 4.524 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nccc4c3ccn4Cc3ccc(F)cc3)CC2)cc1 33298377 ZKYKHDKIYBIOBR-UHFFFAOYSA-N 490.604 4.673 10 10 JJCE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 40066412 BKTSLNFQXWNSRP-JCMHNJIXSA-N 492.670 4.847 10 10 JJCE O=C(CCCn1nnc(-c2ccccc2)n1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 109813705 KWNAQIGADTUIQY-MHZLTWQESA-N 463.541 4.885 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)CC1 226831649 XQGJUWNQPIJFCY-PNCHPQGNSA-N 478.445 4.756 10 10 JJCE COc1ccc(-c2nnc(SCC(=O)OCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc1 763185345 KNVFRFSNSTYNGR-UHFFFAOYSA-N 495.532 4.810 10 10 JJCE Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)c1 1084294874 ZTLZBHZQVSWFAV-MTJSOVHGSA-N 478.346 4.831 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 1084351045 QPLDEEYUWHNPLU-PDGQHHTCSA-N 486.778 4.725 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 1084488428 UDRACGHNRUMJMR-AUWJEWJLSA-N 490.230 4.967 10 10 JJCE CC(=O)c1c(C)[nH]c(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c1C 1134542352 RNHICGQKSVMLET-UHFFFAOYSA-N 452.312 4.559 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2)CC1 1269319204 VFGIDQSEINLYGE-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c1CCCC2 1859478945 OTLQSERJTOWJMC-GOSISDBHSA-N 468.619 4.920 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)sc(C)c1-c1ccc(C)cc1 1860749022 SZVISSZPHOGMEY-UHFFFAOYSA-N 462.449 4.813 10 10 JJCE Cc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867332107 JTHFJJDZBQOHQY-VMPREFPWSA-N 498.671 4.876 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867948063 CXOMPPHGYOELLV-QFIPXVFZSA-N 457.622 4.639 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5cccc(OC)c5)[nH]c4c3)CC2)cc1 1872824659 GLACLALNABSBAP-UHFFFAOYSA-N 488.613 4.835 10 10 JJCE CCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017753 VCNRORZEILKQGA-QHCPKHFHSA-N 479.536 4.871 10 10 JJCE COC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 2293983773 WGKLLUIMHMUFDT-UHFFFAOYSA-N 483.771 4.719 10 10 JJCE COc1ccc(CCN2C(=O)C(=CC3=Cc4ccccc4O[C@H]3C)SC2=S)cc1OC 2296540220 BOCQJGIBWYVJBZ-HNNXBMFYSA-N 453.585 4.855 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296707814 NRIDKMDGMVEXCB-UHFFFAOYSA-N 478.643 4.925 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C)cc1 2313558315 XRWJLOXQMCDVEH-UHFFFAOYSA-N 474.488 4.778 10 10 JJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2314934004 XPFYISMTAYZMID-UHFFFAOYSA-N 453.463 4.965 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c2nccn2C)cc1 2326766516 SDFADZYNVSXICO-NDEPHWFRSA-N 466.585 4.984 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461307 MUXJFEALUSDAHB-PRHHBONVSA-N 469.379 4.890 10 10 JJCE CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1OCC(=O)O 16916277 DWKGKBNDXFAIKM-CAOOACKPSA-N 467.330 4.938 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)o1 33424153 CVGMABIHEUXLEM-QCIUGURRSA-N 487.497 4.861 10 10 JJCE Cc1ccc2c(Cl)c(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)sc2c1 33491573 PICWACRHMZSSQF-GOSISDBHSA-N 477.051 4.759 10 10 JJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1ccccc1O 96624407 UYXUJJCMKRKXPU-LYBHJNIJSA-N 455.583 4.770 10 10 JJCE CCOc1ccccc1/C=C\C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1 104345316 LLAIRXHCQBZDGU-XFXZXTDPSA-N 494.599 4.710 10 10 JJCE CCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 213207240 SRFVLIQOKMVZEY-PDGQHHTCSA-N 451.573 4.633 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526237097 UFFOWDQZUDTKSL-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CC(C)[C@@H](C(=O)NC(C)(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156745 BYWRTOQZGATABY-IPJDOKCGSA-N 455.443 4.590 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc(F)c1 1083960287 DXWYGZNZRMMLQK-MOSHPQCFSA-N 495.304 4.834 10 10 JJCE CC(=O)N(C)c1ccc(N=N[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 1084270844 MDTKSZMWDBJNPL-HXUWFJFHSA-N 477.506 4.576 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 1860087388 UEJRIBJKDSTYCW-CXUHLZMHSA-N 451.342 4.952 10 10 JJCE O=C(O)c1ccc2c(=O)n3c(nc2c1)C(=Cc1cn(-c2ccccc2)nc1-c1cccs1)CC3 2040461417 OXKBDWDRUHDUFZ-UHFFFAOYSA-N 466.522 4.953 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080048214 PBJCXEFWCOZQMS-HNNXBMFYSA-N 476.261 4.534 10 10 JJCE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)c1ccc(N2CCCCC2)cc1 2106829870 ASFHTWAXCDFRGC-RUZDIDTESA-N 453.627 4.737 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 2293355549 BXGQPQPNWGVOLS-UHFFFAOYSA-N 474.464 4.634 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(c2ccc(Cl)cc2)N=C1C 2297321569 HECOLHIBBZRRTH-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)SC2=S)c1 2314538993 INSSZVIENVZMBO-UHFFFAOYSA-N 454.312 4.796 10 10 JJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314837092 OCEVAFMNLKVRKI-GFCCVEGCSA-N 477.405 4.686 10 10 JJCE CCNCc1cnc(Sc2cc(I)ccc2Br)s1 2316408888 FCGCSWBQUBVGSC-UHFFFAOYSA-N 455.184 4.771 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)C(=Cc4cccc(Cl)c4Cl)SC3=S)ccc21 2321736596 BRPSIVPVXLKDIE-UHFFFAOYSA-N 451.356 4.754 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323865817 FYGLWAMLSTWXJC-CQSZACIVSA-N 498.807 4.705 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 1215718 OLZVBHXSBXOAJU-APSNUPSMSA-N 454.356 4.858 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2533388 IRMLSHIFEVSYHA-LSDHQDQOSA-N 479.627 4.660 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2Cl)N3)CC1 14477011 JOPBITQMUYGSLO-SEPYTNNBSA-N 478.445 4.756 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 14550696 ZMVKHYMOXRERFL-FXSPECFOSA-N 475.570 4.942 10 10 JJCE Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15043833 SDORMFBGJJFWKP-MOSHPQCFSA-N 456.589 4.807 10 10 JJCE CCc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)s1 39793593 MESPPNUZMQORKR-ATVHPVEESA-N 482.612 4.524 10 10 JJCE CCOC(=O)COc1c(/C=C2/SC(=S)N(c3c(C)cccc3C)C2=O)cccc1OC 96610604 DBHJXVSZKUDRFY-LDADJPATSA-N 457.573 4.660 10 10 JJCE COCCN(CCOC)c1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 101477765 CXYCUNGASNKFIA-CYYJNZCTSA-N 451.487 4.643 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 208278389 IAOJGDHBHWANLA-HAVVHWLPSA-N 491.638 4.524 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccc(N)c2C1 399742406 YLJMGKRKDBJROZ-YADHBBJMSA-N 462.638 4.805 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1O 1645927547 YOFVNXLTHQGVEB-DHIUTWEWSA-N 456.970 4.775 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 1865679403 LNXLOFJCUCBFSO-NDENLUEZSA-N 475.888 4.850 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CCC(C)C)CC2)cc1 1870626482 YXARPOOWICSLKA-UHFFFAOYSA-N 493.623 4.943 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(c2ccc(Cl)cc2)C1=O 2293543991 CZVVREKAIMVMID-UHFFFAOYSA-N 451.754 4.831 10 10 JJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 2297734917 MYMIVTGCQRRSBM-UHFFFAOYSA-N 460.437 4.734 10 10 JJCE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC 2313548791 FXDOTPVRUCAFHB-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414313 VUNSPPXFKQUZNJ-HNNXBMFYSA-N 456.637 4.747 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323865816 FYGLWAMLSTWXJC-AWEZNQCLSA-N 498.807 4.705 10 10 JJCE CCOc1c(C=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cccc1OC 2332117612 ZPLMEGJEQYUVAV-UHFFFAOYSA-N 458.514 4.946 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)cc3Cl)ccc21 20729407 OMRUXKKADDITCL-UHFFFAOYSA-N 487.113 4.952 10 10 JJCE CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccccc3OC)ccc21 20730973 ULNNEQDDDJMONW-UHFFFAOYSA-N 496.721 4.779 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(I)c1O 33636086 BSELLKGHXKAATE-DHDCSXOGSA-N 483.352 4.720 10 10 JJCE CCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213196380 ITFMTEOSSKZQBT-PDGQHHTCSA-N 451.573 4.633 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526602991 FQHANTPOXPMFNA-GDLZYMKVSA-N 496.655 4.866 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)sc(C)c1-c1ccccc1 1866466146 UWTYTYFRZKCERR-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE CCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870966222 AAYAPZGZYBWDFL-UHFFFAOYSA-N 492.620 4.536 10 10 JJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2)C1=O 1873167572 NBDLBFOZTKISAH-UHFFFAOYSA-N 484.644 4.696 10 10 JJCE CN(C(=O)CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)c1ccccc1 2053622104 LZINNKGCJLMOCZ-UHFFFAOYSA-N 462.543 4.932 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)cc1C 2079992705 HZKPDJIXKFGSCA-IBGZPJMESA-N 466.363 4.959 10 10 JJCE CC(C)(C)OC(=O)NC1([C@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)CC1 2163094967 QCDYIQQKTNQNOR-RUZDIDTESA-N 465.638 4.880 10 10 JJCE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2297533136 SONSHLWWRZZSCP-UHFFFAOYSA-N 476.794 4.778 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 2314650538 MYHGWKAVVOXRJN-MRXNPFEDSA-N 491.612 4.531 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 2332134174 SRBXXZQACYOEIJ-UHFFFAOYSA-N 470.525 4.963 10 10 JJCE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1C 10909139 HHCWKKJXJGNTCJ-MUUNZHRXSA-N 488.609 4.736 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 15045769 UQUDFHAHSVPHLU-MFVBVHDHSA-N 461.406 4.986 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 27501215 GOJAWZVVJGTGLS-BOPFTXTBSA-N 457.269 4.501 10 10 JJCE CC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(Cl)c(C)c4)c3)C(=O)N=C2S1 27549526 RQEZRUIVLCNDQR-FZAWDKCWSA-N 454.939 4.745 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)c(Cl)c3)C(=O)N=C2S1 33685739 TVJCGZJIUOEHNT-XJWHVNBWSA-N 452.923 4.897 10 10 JJCE COc1cc(Cl)cc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)c1O 34138285 MNMGIIHDFQDVBS-QPEQYQDCSA-N 465.687 4.632 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1cccc(OCC)c1O)N2 48990339 DKDNVVGZGXIIHX-OAQYLSRUSA-N 471.985 4.917 10 10 JJCE biogenic O=C1N=C(O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1c1cccc2ccccc12 59860109 MGZQWVRHKCMWDF-NVNXTCNLSA-N 465.259 4.838 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccc(F)cc1 62694638 UVKNPFRWJSFCBL-UHFFFAOYSA-N 453.945 4.527 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@H](c3ccccc3O)C2)cc1 206360144 OVIAJHSUJLQYEU-DUYDGHCJSA-N 456.527 4.617 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526375993 FXDGRJQWLPGFNY-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE COc1ccc(NCN2C(=O)/C(=C\c3cccc(I)c3)SC2=S)cc1 1084183969 FZIFHTBPBJTHIX-MHWRWJLKSA-N 482.368 4.571 10 10 JJCE O=C(Cc1ccccc1)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858897857 VOXOSUUCMVMSBE-UHFFFAOYSA-N 490.515 4.932 10 10 JJCE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163077760 FAAZOTRPBNOUQQ-UHFFFAOYSA-N 476.662 4.939 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC(CN=[N+]=[N-])CC2)c1 2180962871 VZNSCGSXKRSWGO-UHFFFAOYSA-N 485.326 4.801 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2293109484 FEPPJLIFJBHBND-KRWDZBQOSA-N 474.947 4.615 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)cc1 2296756293 YUDWFHWYDWMIHZ-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)N(CC)Cc3ccccc3)C2=O)cc1 2296881382 DVVHVKBIBUZFFU-UHFFFAOYSA-N 454.617 4.725 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2297480319 NJUFZNRJBJGOEK-UHFFFAOYSA-N 476.601 4.552 10 10 JJCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@@H]21 14478036 YNHQZLFRQWIPIO-JXQFQVJHSA-N 453.564 4.986 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(C)C 40940540 FPLXFZAURYRNBK-KGENOOAVSA-N 470.616 4.975 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(SCc2ccco2)o1 102444336 VJEKGCJWCXTUPZ-MHWRWJLKSA-N 473.304 4.594 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(OC)c3)C(=O)N=C2S1 103564979 AHIJKGUWSVEOMJ-WZHFLWTNSA-N 478.574 4.799 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OCC)c3)SC2=S)cc1 210464118 POLURYRVYWAEQQ-ZHZULCJRSA-N 473.572 4.743 10 10 JJCE CCOC(=O)N1CCN(c2ncnc(Nc3ccc(N=Nc4ccccc4)cc3)c2[N+](=O)[O-])CC1 256017870 GRAHGXODJZMNNV-UHFFFAOYSA-N 476.497 4.822 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1O 1654569036 AFRAOKXQXCINHJ-URXFXBBRSA-N 455.913 4.928 10 10 JJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013931 JFYKIZPELOWWPQ-XMMPIXPASA-N 498.583 4.608 10 10 JJCE CCCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839827 RKQOJUKSHIVHAI-CLJLJLNGSA-N 482.644 4.524 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1868662809 SYIIMVDBWOKYPE-KIQDDBAESA-N 497.639 4.867 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423060 CNMFRZQOWPUKIQ-UHFFFAOYSA-N 465.557 4.573 10 10 JJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 1890890974 OAOWLGZMQGQHJN-YJBOKZPZSA-N 467.491 4.672 10 10 JJCE COc1cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)cc(O)c1O 1952151781 IMEKIXAMIAPFCT-DEOSSOPVSA-N 477.513 4.797 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)cc1I 2124514715 YUFXRRWUKRIKOL-GFCCVEGCSA-N 471.299 4.553 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)C1NC(=O)OC(C)(C)C 2163125980 HMWOXFUQDXIOKR-IAGOWNOFSA-N 474.646 4.548 10 10 JJCE CCN(CC)c1ccc([C@@H](N)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268740823 ZOSMMBZDUSXADD-XMMPIXPASA-N 453.627 4.987 10 10 JJCE O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)SC1=Cc1ccc(Br)cc1 2296441826 VNBNXAYIUBRIRL-UHFFFAOYSA-N 462.800 4.895 10 10 JJCE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296712139 AWUBLGIAHXHFPO-UHFFFAOYSA-N 479.627 4.742 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 2297298451 CTFJQKVUPDBEKR-UHFFFAOYSA-N 485.540 4.554 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348073 FISBPSCOXOIGEP-UHFFFAOYSA-N 473.470 4.531 10 10 JJCE COc1ccc(OC)c(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 2332114700 HJNMABKUTIYBPM-UHFFFAOYSA-N 455.230 4.815 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15046308 NPMJSMQTKNZVGC-FFCYNSPCSA-N 465.369 4.817 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCc4cccs4)c4ccccc4n3)CC2)cc1 25142387 UNKDDIGSOVKQSQ-UHFFFAOYSA-N 458.587 4.562 10 10 JJCE CCOc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)c1 33316124 CTDNPVHZCZBPHT-UCQKPKSFSA-N 486.480 4.869 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc(Br)c1O 34234824 NXXBWLIQRDACFM-WDZFZDKYSA-N 465.687 4.632 10 10 JJCE O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1CCCc1ccccc1 38732203 YHXGJZCSYBVQTM-NKFKGCMQSA-N 475.639 4.905 10 10 JJCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 40066511 GEBBOROMCBPPHD-MTJSOVHGSA-N 496.633 4.943 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)c2nc(C)sc2-c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 54123569 BFKKTANCQPXPSD-HSZRJFAPSA-N 497.686 4.794 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1F 95951213 SEYKVBKYECIZQZ-RFTFHOITSA-N 492.576 4.767 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(NC(C)=O)c2)[C@H]1c1ccc(O)c(O)c1 526397340 PHGLHZVDENKNPI-DEOSSOPVSA-N 490.512 4.521 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C3CCC3)C2)sc(C)c1-c1ccc(C)cc1 1860662202 TVTSILRHJZHTAG-LJQANCHMSA-N 454.592 4.796 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)c2)c1 1860851157 FIWUIMARJNRLQA-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4c(C(F)(F)F)cccc4c3=O)cccc21 1866078211 IOOHYTZLDSHLEW-UHFFFAOYSA-N 462.383 4.575 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(C3CCCC3)C2=O)cc1 1873164429 BMFUBDDKELMINR-UHFFFAOYSA-N 469.585 4.785 10 10 JJCE CN1CCCc2cc([C@@H](O)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268749694 CZCKYNHCVQVMEB-XMMPIXPASA-N 452.595 4.556 10 10 JJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 2297314563 KQZMWWCEWBXGME-UHFFFAOYSA-N 470.348 4.684 10 10 JJCE CCN(CC)C(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 2297512168 BPETZQLKIJFGAE-UHFFFAOYSA-N 455.356 4.650 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 2313541374 DSDPUNZJPCCETJ-UHFFFAOYSA-N 489.597 4.559 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)c3ccc(F)cc3)c3ccccc23)SC1=S 2326951817 JGQTXKOYEOFWED-UHFFFAOYSA-N 482.558 4.729 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2358590260 FENRFKVWLHPHEN-PBFPGSCMSA-N 459.812 4.933 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 1792541 HIAOTRJVQZHDIR-BGBJRWHRSA-N 452.557 4.561 10 10 JJCE CCN1CCN(CCCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCC4)cc2)CC1 20489477 MTKWLTWVZBHGPK-UHFFFAOYSA-N 470.661 4.781 10 10 JJCE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990419 MTGLCQIWLNARDN-CTPANLQCSA-N 486.707 4.922 10 10 JJCE Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)cc1 54201718 ZGQVMSIFSQTNHS-LADGPHEKSA-N 484.581 4.879 10 10 JJCE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 205962108 KRTKULFBYZVFHW-XIEYBQDHSA-N 459.521 4.700 10 10 JJCE Nc1ccc(N(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc2)cc1 242753683 DIHGUJKGTXCWLT-UHFFFAOYSA-N 478.346 4.772 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 1084020171 ULPUKHUUJOSSRE-LGMDPLHJSA-N 466.921 4.889 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1OC 1858588029 MWYQOVMNNKFQQF-MLHZQLSASA-N 473.572 4.607 10 10 JJCE O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860553359 CQKFVEGVRCNWES-UHFFFAOYSA-N 495.922 4.944 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418368 FOEALUQNYMQWPA-UHFFFAOYSA-N 488.551 4.758 10 10 JJCE Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179313 XPEZOHHQACKPEF-MRXNPFEDSA-N 467.477 4.591 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079125382 QROYMAROAPXHAN-KRWDZBQOSA-N 470.351 4.876 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080008627 UISIOMZVBGUORN-KRWDZBQOSA-N 484.334 4.501 10 10 JJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 2296700157 DLPQTEOYXMKHCA-UHFFFAOYSA-N 457.573 4.924 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 2296711245 GMERYKCHYREAAK-UHFFFAOYSA-N 477.380 4.726 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2296754079 ZVHNSCDBTYRZCU-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2296763987 SWKGBPDEPRSSKL-UHFFFAOYSA-N 458.605 4.964 10 10 JJCE Cc1cc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1Cl 2297352669 KQKINFFRSQUNNK-UHFFFAOYSA-N 497.024 4.591 10 10 JJCE COc1cc(C=C2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)ccc1O 2314951513 BFPQWWBOUXCZDP-HXUWFJFHSA-N 471.538 4.928 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(F)cc1 15037633 HLPPGXFRCFEVFS-WJDWOHSUSA-N 465.369 4.818 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1nccs1 15045177 ICWUWGVKSUIHDL-PTNGSMBKSA-N 468.025 4.902 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526326951 CQHJWOWUGFVZFC-SANMLTNESA-N 490.556 4.844 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 526563843 VALBSZIKFMZYKZ-HSZRJFAPSA-N 478.570 4.675 10 10 JJCE COc1cc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)ccc1N1CCCC1=O 913099035 FNNCXEFZUZKNCE-QFIPXVFZSA-N 483.528 4.981 10 10 JJCE CCCOC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1860748754 KPOKMGZGBPYMGS-UHFFFAOYSA-N 494.569 4.963 10 10 JJCE CCCC[C@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868852138 MXEBMAOVSFYQQM-UIOOFZCWSA-N 483.628 4.598 10 10 JJCE CCCCOCCCN1C(=O)C(N[C@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168000 FPFRUMQJXZBFQE-LJQANCHMSA-N 451.611 4.769 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079988106 ZXHCEWCDIWKEJM-LJQANCHMSA-N 498.361 4.892 10 10 JJCE O=C(OCc1ccccc1)N1CCC(F)(CNCc2cc(Br)cc(F)c2O)CC1 2104794023 ULPLOYBWQNOCBX-UHFFFAOYSA-N 469.326 4.524 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc(OC)c1OC 2296654314 WLOXQRPHBRSFIP-UHFFFAOYSA-N 464.996 4.945 10 10 JJCE COc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314828707 WAROALWHXZTGOH-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1Cl 2318755954 DVLAZFBEGVAYTR-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc([C@H]4CCCN(C(=O)c5ccccc5)C4)c3)CC2)cc1 33035019 ADBVKFIMGUCJLZ-SANMLTNESA-N 483.612 4.677 10 10 JJCE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C3CCCC3)C2=O)c2ccccc21 33934222 LABCCRJRWNOTQG-XTQSDGFTSA-N 491.638 4.803 10 10 JJCE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O 59858027 ASEOSIHPPPEZEP-KGENOOAVSA-N 462.937 4.746 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)s1 211939673 COARULAJHOFDBD-QGOAFFKASA-N 488.660 4.788 10 10 JJCE CC1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)CC1 211950055 PFOPEQBOUUDNHG-RCCKNPSSSA-N 458.649 4.858 10 10 JJCE CCOC(=O)[C@@H]1C(C)=N[C@H](c2ccccc2O)N2[C@@H](c3ccccc3O)Oc3ccccc3[C@@H]12 247958816 NKKIDFXTBGPCJK-KEVKATSASA-N 458.514 4.885 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC=C(C)C)[C@@H](C)C1 1741041501 LOGNRTIPFWCQPV-NRFANRHFSA-N 460.626 4.766 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 1858594197 PGTGHLDTLPYTJE-ISPGYRLHSA-N 471.600 4.771 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccccc1 1860652290 MENQGAVTMPXGSQ-HXUWFJFHSA-N 477.586 4.786 10 10 JJCE COC(=O)c1c(NC(=O)CC(=O)C(F)(F)F)sc(C)c1-c1ccc(Br)cc1 1866057999 BISFAPVWJKPQGQ-UHFFFAOYSA-N 464.259 4.733 10 10 JJCE O=C1C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2053494214 PMUROIMDPOQTME-SNVBAGLBSA-N 474.412 4.642 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2293519281 WYXTVTPFQXTHCO-UHFFFAOYSA-N 473.533 4.931 10 10 JJCE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296715261 APGPGBWJRQYGQK-INIZCTEOSA-N 479.627 4.659 10 10 JJCE Cc1cccc2cc(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCOCC3)nc12 2314648288 SZOYFUSHALVDOX-UHFFFAOYSA-N 453.633 4.914 10 10 JJCE COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)cc1OC 33458480 OGTCCXGUNKUQAP-CIAFOILYSA-N 481.551 4.917 10 10 JJCE CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)[C@@H](C)CC 37422926 VVKHOVYVBPJJJD-IBGZPJMESA-N 491.654 4.639 10 10 JJCE CC[n+]1c(/C=C2\Sc3ccc(C)cc3N2CCCS(=O)(=O)O)ccc2cc(C)ccc21 38612191 WZUVGBPLPGVISO-UHFFFAOYSA-O 455.625 4.953 10 10 JJCE Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CC(=O)OCC(C)C)C3=O)cc2)cc1 206470564 RIEITZAQOUINTI-CIAFOILYSA-N 455.601 4.974 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1Br 526404180 VKBCRFVYHXSHAZ-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(O)cc3C)C2=O)cc(Br)c1O 1860084302 JYABBKDSYUSUMF-OVCLIPMQSA-N 452.351 4.583 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1Cl 1862313438 XZVVQYIJKYPKEL-UHFFFAOYSA-N 467.013 4.898 10 10 JJCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c([N+](=O)[O-])c1 1892003816 YTMKGYREYFKRDQ-UHFFFAOYSA-N 460.320 4.835 10 10 JJCE CCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)N(c2ccccc2)C1=S 2294280096 ZOCSGMRVDGZJRJ-UHFFFAOYSA-N 458.587 4.751 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296546191 SPYZKUQYQNETSK-UHFFFAOYSA-N 478.643 4.781 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c1 2297303352 SUSDWUIDQQUBBH-UHFFFAOYSA-N 451.323 4.777 10 10 JJCE O=C1NC(=O)N(c2ccc3ccccc3c2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 2297357970 LIJFIWMRLALSAZ-UHFFFAOYSA-N 460.287 4.750 10 10 JJCE COC(=O)COc1ccc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc1Br 2297561163 OJWAOIZKACGDNI-UHFFFAOYSA-N 478.389 4.715 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2314414447 ZDVXOPYMTPLODY-UHFFFAOYSA-N 480.615 4.680 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1C 2314736319 FFUKVBWGPCOLJM-UHFFFAOYSA-N 491.594 4.524 10 10 JJCE CCCN1N=C(c2ccccc2)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131536 DZANRNLSAIQBSJ-UHFFFAOYSA-N 464.157 4.957 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)ccc1O 14459033 UAQOSJDXLCJSGI-ISCCLHIJSA-N 474.582 4.979 10 10 JJCE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C(O)=NC1=S 33783504 GHAMRYJYPRHWPW-PDGQHHTCSA-N 482.359 4.925 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066630 NAQWVBAHTVFIPJ-BKUYFWCQSA-N 496.658 4.578 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)N(C)Cc4ccco4)[C@@H]3C2)cc1 169677336 YJRKSNHVRWXLPG-NOZRDPDXSA-N 499.533 4.833 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCCC1 1705622809 VRMFHFQZCLGMKK-UHFFFAOYSA-N 475.637 4.524 10 10 JJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705653338 FQBWYKPGJDUGIE-FGZHOGPDSA-N 476.694 4.638 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)Cc2c[nH]c3cccc(OCc4ccccc4)c23)c2nccn2C)cc1 1866265022 QPGCFYIHKSYIBP-GDLZYMKVSA-N 493.611 4.995 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871478699 VXATXVBWDRIJGH-UHFFFAOYSA-N 499.663 4.983 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(OC(C)C)cc5)[nH]c4c3)CC2)cc1 1872798104 JTWAZOOFAYRXJC-UHFFFAOYSA-N 484.600 4.912 10 10 JJCE CN1CCc2cc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]3C(=O)O)ccc21 1952742425 KOKGYUYVIJVOEB-CUBQBAPOSA-N 454.526 4.517 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2053525640 OXBDEOPDFATWSM-CQSZACIVSA-N 453.614 4.845 10 10 JJCE COc1ccc([C@@H](n2nc(C3CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080003850 RWHXNQXKRQUVJJ-QGZVFWFLSA-N 454.308 4.527 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)cc1C 2080012015 JDAIHOWPDWXVOS-INIZCTEOSA-N 468.335 4.805 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@@H](CNC(=O)OCc4ccccc4)C3)ccc(N)c2C1 2106809561 HVFRANLEHKPOSJ-NRFANRHFSA-N 494.636 4.705 10 10 JJCE CN(Cc1ccccc1O)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2180684222 REZRVLSEURGLCG-UHFFFAOYSA-N 482.318 4.616 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2193313284 IEGWCQPZOLOGNJ-TUUVXOQKSA-N 463.775 4.776 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2297296518 RTHXSOWQONIRTR-UHFFFAOYSA-N 487.693 4.522 10 10 JJCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCCC(C)C)c(OC)c2)SC1=S 2314760414 JQFGUZBBIWWGKH-UHFFFAOYSA-N 451.610 4.665 10 10 JJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)c1 2321683212 BGGFNBPOHQCJDX-UHFFFAOYSA-N 451.342 4.952 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c2nccn2C)cc1 2326766515 SDFADZYNVSXICO-MUUNZHRXSA-N 466.585 4.984 10 10 JJCE Cc1ccc(CN2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(O)c1Br 2352949124 YXAXQIBOWKLPCR-UHFFFAOYSA-N 459.384 4.840 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccc(OC)c3)CC2)cc1 9251218 FDMMCRWNLASJOK-UHFFFAOYSA-N 499.567 4.594 10 10 JJCE COc1cccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1O 34755770 BOFCVGKYPZXTAQ-UHFFFAOYSA-N 478.568 4.917 10 10 JJCE Cc1nnc(Cc2ccc(NC(=O)CCCN3C(=O)/C(=C/c4cccs4)SC3=S)cc2)o1 40324026 YXPDXPDSBMBERV-AQTBWJFISA-N 484.628 4.650 10 10 JJCE CCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 40562584 VNFUNBIHMVDDIS-QNGOZBTKSA-N 483.659 4.934 10 10 JJCE Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c3cc(Br)ccc32)cc1 59087092 QBQOSOBVLJPKAN-YBFXNURJSA-N 498.402 4.888 10 10 JJCE CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O 1084374123 WNFBQGGWNJZAOK-FOWTUZBSSA-N 451.822 4.517 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 1858588385 CKKORIYBJHDGJI-BLECHLINSA-N 472.676 4.960 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1-c1ccc(C)cc1 1860750838 VRNMBANCOAGOSZ-UHFFFAOYSA-N 467.503 4.612 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873419935 RMGXIOGSDRMBHD-QHCPKHFHSA-N 485.584 4.864 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421076 FNQJQXHUNQTGAV-UHFFFAOYSA-N 477.008 4.891 10 10 JJCE CCOc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873896785 GKGUJOPAXDAVSY-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079037781 OSWWDMVEFQEERU-AWEZNQCLSA-N 464.225 4.723 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 2297347405 DCTQTEWLXOCGIE-UHFFFAOYSA-N 467.909 4.565 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OS(C)(=O)=O 2297356899 MJMCRANTJZOGPE-UHFFFAOYSA-N 490.411 4.746 10 10 JJCE COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 2313547902 GFEGGSNWGDTQNA-UHFFFAOYSA-N 465.303 4.586 10 10 JJCE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2314413697 FFWHVTMEFJXTQN-UHFFFAOYSA-N 497.045 4.740 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 2314764634 IEQQBHGCHQCCQY-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(Br)c1 2314768452 IISVWTBGPOKAQA-UHFFFAOYSA-N 450.379 4.916 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14460990 FBYZAAKFCHKDAJ-VWKPWSFCSA-N 463.397 4.668 10 10 JJCE COc1cc(/C=C2\SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)ccc1O 54201425 BFPQWWBOUXCZDP-DEYGKZMTSA-N 471.538 4.928 10 10 JJCE N=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC(c3cccnc3)=NN12 102470508 HXCOKOKWQGIEOM-DVELLGFNSA-N 475.537 4.602 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 226802441 OYRXBJKVYMHNBO-ZFGGDYGUSA-N 453.564 4.842 10 10 JJCE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243071 JJEWLRZBLPETIC-UHFFFAOYSA-N 460.338 4.984 10 10 JJCE CCN(Cc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347189 AWZOVSNRWMVPLD-GDLZYMKVSA-N 478.596 4.837 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccccc1Br 1860715422 JEGPNCJWZUFHNJ-UHFFFAOYSA-N 462.569 4.689 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c(C)c1 2040467027 SJXYYHSDGOTHGW-UHFFFAOYSA-N 474.586 4.549 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047459 FMJSOMSALFIUOU-ZDUSSCGKSA-N 453.246 4.657 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@]2(C)C1 2172908329 FDPUUEQNPDEQOS-XBHMSOGKSA-N 459.812 4.933 10 10 JJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2296705166 YDRCEIQSAWVGFZ-UHFFFAOYSA-N 465.600 4.704 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296710664 OLSPTUWODHITJH-UHFFFAOYSA-N 479.627 4.660 10 10 JJCE Cc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 2296727468 DYFZLGQPZZIWPH-NRFANRHFSA-N 465.596 4.994 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297302717 HWVUJBLCKGJSSE-UHFFFAOYSA-N 477.991 4.692 10 10 JJCE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 2297349598 OVCZWKCRZMKEFB-UHFFFAOYSA-N 464.406 4.876 10 10 JJCE CCCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c1 2314764527 FRTYISGVQUYERS-UHFFFAOYSA-N 477.405 4.784 10 10 JJCE Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(C)c1 33326918 NWWSLXVYDVUGBO-YBFXNURJSA-N 454.573 4.571 10 10 JJCE O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCOCC1 33741880 JDGRFDQKBUEWJP-BWAHOGKJSA-N 463.537 4.719 10 10 JJCE Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 34222017 DJPSUYXQGWIDJR-YVLHZVERSA-N 457.273 4.700 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cccc2cccnc12 96576383 XKNCXWXYRDBIPQ-XMHGGMMESA-N 451.548 4.994 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526147700 PKZXFOZWJJLMGQ-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(F)cc1 1084376516 LHAURIXMSXRSHP-JAIQZWGSSA-N 482.309 4.662 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O 1858588539 KYINRRIAEJSZLR-QOMRTYFESA-N 477.917 4.804 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](N)Cc2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 1866005012 IAJFYIITHSEUDM-KRWDZBQOSA-N 491.382 4.920 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)c2nccn2C)cc1 1866283310 WEJQSXJIKPTUSJ-XMMPIXPASA-N 459.981 4.696 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C(F)(F)F)cc3[nH]2)N2CCCCC2)cc1 1866537231 LWPMWSWLNCMXQR-QHCPKHFHSA-N 486.538 4.570 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3c(Cl)cc(Cl)cc3[nH]2)N2CCCCC2)cc1 1866542669 OLUWOWPKFNXFDR-QFIPXVFZSA-N 487.431 4.858 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4ccccc4C)n3)CC2)cc1 1869140159 UWVFFZPLUHZZNJ-QFIPXVFZSA-N 487.648 4.791 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970031 CSGAOTGLDKKDKE-UHFFFAOYSA-N 483.016 4.631 10 10 JJCE CCCCCCn1cc(OCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870665142 LTPFIFWEJYMZGC-UHFFFAOYSA-N 455.643 4.938 10 10 JJCE CCCCCOc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675953 MPWGXDFBPQHWJP-UHFFFAOYSA-N 489.660 4.991 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422793 PELBRKDRMJRZHR-UHFFFAOYSA-N 486.616 4.779 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423829 HVKFXCJHOXXOTC-GOSISDBHSA-N 485.584 4.800 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(N2CCCC2)cc1 1873949425 JETYOKLTKUPZGC-UHFFFAOYSA-N 489.579 4.813 10 10 JJCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296714163 AVNNAKNRCXMHTK-UHFFFAOYSA-N 490.654 4.883 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1 2297470048 PYTDTOVCLALUKT-UHFFFAOYSA-N 469.570 4.965 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC)C(=O)O 2314931875 IQUYOIOLOFSNEY-KRWDZBQOSA-N 457.573 4.960 10 10 JJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1789105 OEWNWWRDATUEAD-QURGRASLSA-N 479.627 4.824 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)O 20175903 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1705801642 MAJTUMJNFDZGON-UHFFFAOYSA-N 476.625 4.987 10 10 JJCE COc1ccc(-n2nc(C)c3cc(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)cnc32)cc1 1859707624 WKTAPTMXHPLDCN-UHFFFAOYSA-N 488.503 4.765 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862210095 ZJEQAZVSBGQRMW-GJZUVCINSA-N 495.664 4.610 10 10 JJCE CCCCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870664935 HTVYPLCNAXRZKW-UHFFFAOYSA-N 479.596 4.545 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873170750 ORFLDJRRMWBRME-UHFFFAOYSA-N 488.676 4.971 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(Cc3ccco3)C2=O)cc1 1873418877 FCVZRGQEDXEVKV-UHFFFAOYSA-N 477.524 4.956 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)cc1C 2080007489 PPSYKJXLNRSHCM-GOSISDBHSA-N 468.379 4.989 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NCc1cc(Cl)cc(Br)c1O 2169565990 ZQIIRIPRXGIKPI-UJNBFMONSA-N 457.796 4.542 10 10 JJCE CN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2180698662 WJFCJCYUNTYMGK-UHFFFAOYSA-N 482.318 4.616 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296717928 NPKUFIZNSVQWBT-IAGOWNOFSA-N 470.664 4.568 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 2297316209 KMOLUPPZQBJSES-FQEVSTJZSA-N 484.980 4.608 10 10 JJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCC(C)C)c(OC)c2)SC1=S 2314759669 FXFDFNIELZSVEJ-UHFFFAOYSA-N 451.610 4.665 10 10 JJCE COc1ccc2c(c1)CCCN2C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11646146 GMWRTTXWEOHIPU-QFIPXVFZSA-N 463.603 4.809 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@@H]3C)SC2=S)cc1 33523546 IVJRYHGVEMEYJB-HFITWMCCSA-N 453.585 4.855 10 10 JJCE Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2O)CC1 34683930 RRIFNVMHNATQQS-UHFFFAOYSA-N 454.567 4.700 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)COc3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 56943762 LKOFSKNYUSKNHV-SANMLTNESA-N 491.632 4.644 10 10 JJCE CC(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)cc1 586216014 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490.431 4.649 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867343260 USDNTZNLGROYIN-FTJBHMTQSA-N 482.644 4.524 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869264960 LEYBSWRWJLJSFR-BGYRXZFFSA-N 494.039 4.746 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873167880 BKIYUYBXNNLDPK-QHCPKHFHSA-N 493.611 4.812 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 2313553258 YSGHYGSWEXWSJQ-UHFFFAOYSA-N 461.499 4.557 10 10 JJCE Cc1ccc(C=CC(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 2328575056 DTORTUYHRZDMQF-UHFFFAOYSA-N 482.628 4.671 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)ccc1O 15039133 GJBKEWNBHQWMJE-ZHZULCJRSA-N 456.589 4.719 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 20356327 JUTVOMVWKVYUFW-HDUWINQVSA-N 460.346 4.926 10 10 JJCE COc1cccc(/C=C2/C(=N)N3C=CSC3=NC2=O)c1OCCCOc1ccc(C)c(C)c1 27572579 NPHYMKSGZTWDPZ-OIYMOPNQSA-N 463.559 4.937 10 10 JJCE CC(C)CC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C(=O)N=C2S1 33436617 NOENVBVNGYSIAG-ONWPUYBOSA-N 493.545 4.718 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 33921919 UDYWTUSKMCDULA-YIRPMMGJSA-N 454.617 4.930 10 10 JJCE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 35229942 MVNDBWNXNOMWGJ-YBFXNURJSA-N 464.616 4.533 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C(C)C)c(OS(C)(=O)=O)c1 37421890 VSVFLSHBJYLSNH-UHFFFAOYSA-N 453.004 4.575 10 10 JJCE O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nccs1 211947293 XVIMXPQBHJFUIA-SFQUDFHCSA-N 453.570 4.566 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC[C@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 257191559 PVAGETHTFSVSKS-TWLDFKIOSA-N 488.720 4.916 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)c(F)c2F)[C@@H]1c1ccc(O)c(O)c1 526621290 ZAUGINYJYZICRF-JOCHJYFZSA-N 487.430 4.980 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(Cl)ccn2)sc(C)c1-c1ccc(OCC)cc1 1860748315 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DPZKVORCAWXHCG-UHFFFAOYSA-N 497.379 4.676 10 10 JJCE CCCOc1ccccc1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313547780 BTWMOJKQLCGAQA-UHFFFAOYSA-N 457.324 4.521 10 10 JJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 2332107150 TWMURXZWWNYQTM-UHFFFAOYSA-N 471.229 4.520 10 10 JJCE O=C(CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15036080 QQHFTKMDUWUCBE-STZFKDTASA-N 474.563 4.892 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238957 WCVDPIKUMXNXBW-TWGBNTOESA-N 453.480 4.529 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCCCC3)nc12 33517571 QGRWUJYEZAGQSG-TVJQZGFISA-N 490.654 4.956 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 33904252 WSFAGCMSXAAUBW-OBGWFSINSA-N 451.573 4.878 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccc(O)cc4)S3)[C@@H](c3ccccc3O)C2)cc1 54201387 URZFBKNFPXHJLE-UTKDAVAPSA-N 471.538 4.928 10 10 JJCE CCSC1=NN2C(=N)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1 102465041 LUWHWCRBYAIHKC-ZMXGXFJXSA-N 489.582 4.748 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526352028 UNQKASJCDJPQJJ-VWLOTQADSA-N 489.524 4.976 10 10 JJCE C[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCN(C(=O)OCc2ccccc2)C1 1178609653 IZBYAMVWCAQEPV-HXUWFJFHSA-N 453.764 4.699 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1cccs1 1705480536 WHLQOQRNIXSWMX-WXTAPIANSA-N 459.619 4.780 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc5ncccc45)c4ccccc34)[C@@H]21 1860347479 RFXDEIJIFJQWLI-GDLZYMKVSA-N 487.563 4.975 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccccc1 1860655373 OIRDOYKBQDQBGV-HNNXBMFYSA-N 468.497 4.640 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC 1865675611 QWATYUXBCZKVNP-HZHRSRAPSA-N 481.568 4.663 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419550 KFVPOONDRCMUGH-DEOSSOPVSA-N 455.558 4.774 10 10 JJCE CCCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421933 XMEQKIJWHFPQKK-UHFFFAOYSA-N 457.530 4.815 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccccc4C)c3)CC2)cc1 1874725511 CGAJAFVDYJHAFJ-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE Cc1ccccc1OCCOc1ccc(Br)cc1C=C1SC(=S)NC1=O 2293561049 QFDFUPXWUXPDJO-UHFFFAOYSA-N 450.379 4.704 10 10 JJCE COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 2297335760 OTLZEJPUAJZTNI-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 2313560818 HTNQNHJQDSLUQR-UHFFFAOYSA-N 456.148 4.587 10 10 JJCE Cc1cc(C=CC(=O)N2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 2318646653 QHNUPFYRPVESCI-UHFFFAOYSA-N 454.496 4.870 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)SC1=S 2331594929 SNLUSGYEIHXXRK-UHFFFAOYSA-N 486.571 4.898 10 10 JJCE CCC1=NN(c2ccccn2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131422 PXMIJOPFPOREMN-UHFFFAOYSA-N 451.118 4.508 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)c2C)cc1F 8938084 JRLMSYNNHRPPMR-AREMUKBSSA-N 499.489 4.793 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 20154700 WGFTYOOPKNGDKX-LCQIMXFNSA-N 496.614 4.791 10 10 JJCE COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc(I)c1OC 33409477 KWYMFCFSWYSREY-QPEQYQDCSA-N 468.674 4.943 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33468440 YVWXCMKJQJCLMH-LTGZKZEYSA-N 490.654 4.785 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1C 40937904 RFKFZIBREGWIMG-STZFKDTASA-N 471.600 4.737 10 10 JJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205959116 BBHZZQIYQWLJKJ-CJLVFECKSA-N 456.458 4.518 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc(C)cc1 206459981 LFILYHQKDDBHMV-WSDLNYQXSA-N 485.627 4.983 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 214758027 QKMCIAKOSFDWLA-XMHGGMMESA-N 471.560 4.701 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)C1 1595967806 HAQBIYOIAKNNSP-HSZRJFAPSA-N 494.709 4.799 10 10 JJCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@@]32CCC(=O)NCc2cccnc2)cc1 1614975404 ZMBNSMGNAGOMJJ-ZDIDPRFDSA-N 492.708 4.670 10 10 JJCE CCCC[C@@H](NC(=O)/C=C(\C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868662108 BEXPGGGETNELSJ-MTEPZQBTSA-N 477.649 4.685 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869264961 LEYBSWRWJLJSFR-PMACEKPBSA-N 494.039 4.746 10 10 JJCE CCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870438739 WNDYGBFNKSXDFV-UHFFFAOYSA-N 455.643 4.794 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873166130 DGJNNPIVDTXOSV-HSZRJFAPSA-N 490.003 4.796 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420465 ZONVOKLHTVXZII-NRFANRHFSA-N 477.511 4.743 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425852 HTEWJSAOOKBBLR-UHFFFAOYSA-N 495.583 4.651 10 10 JJCE CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2296398088 SAQCWQNTNXTCTO-SFHVURJKSA-N 475.520 4.886 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F 2297342099 IVGTXMLWPDIUEX-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 2314827585 IAXRPBRPIACTSZ-UHFFFAOYSA-N 466.506 4.944 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)c1O 14459703 RWVPUVLNAPGXJR-XLNZFTOWSA-N 454.592 4.648 10 10 JJCE Cc1ccccc1N1C(=O)/C(=C\c2cc(Br)ccc2OS(C)(=O)=O)SC1=S 33446729 PJQYBKQDQQUINA-MHWRWJLKSA-N 484.418 4.502 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cccc(Cl)c3)c3ccco3)CC2)cc1 38620006 XWIPLOCAFFEAQT-QFIPXVFZSA-N 454.958 4.627 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152320 YEBHLWKAKXHOQG-OKHBPPCESA-N 481.477 4.842 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 102855864 DHUGPPDGACOIJP-WQMJKPAKSA-N 481.854 4.755 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(Cl)cc4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526388699 QWANHHNEUCMMBI-VWLOTQADSA-N 491.975 4.560 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526433297 ZISQWGOGFJPITB-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)c1OC 526618051 AHXORNIAGPXCAW-NRFANRHFSA-N 473.403 4.590 10 10 JJCE Cc1cc(CCNC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(C)n1-c1ccccc1 730670852 UZGCWAYKNTWUTB-FQEVSTJZSA-N 478.612 4.797 10 10 JJCE CCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2C)cc1OCCC 1862342767 GEVRZLCTLWMPEI-UHFFFAOYSA-N 492.620 4.636 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CCc4ccccc4C)cc3)CC2)cc1 1874753930 MAWSNMKCGYBGKR-UHFFFAOYSA-N 485.628 4.970 10 10 JJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106872761 VVVNMGBKSAJFKX-RPBOFIJWSA-N 452.643 4.573 10 10 JJCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296166918 GFAMOQLEYKLPPJ-UHFFFAOYSA-N 473.985 4.734 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 2296398195 ZZEYIWWPYLNNJD-UHFFFAOYSA-N 465.509 4.673 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2314414629 GUEGRHAZPBAEHQ-UHFFFAOYSA-N 468.604 4.599 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)ccc1OCc1ccccc1 2323777824 WVEJXWJKSFNOFV-FQEVSTJZSA-N 457.573 4.585 10 10 JJCE Cc1cccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 2326945170 DNSXDTSXHSVENL-UHFFFAOYSA-N 493.610 4.654 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2358590262 FENRFKVWLHPHEN-XNJGSVPQSA-N 459.812 4.933 10 10 JJCE Cc1ccc(CNCc2ncc(Br)cc2Br)c(O)c1Br 2380806281 CHSAUIXHCIKAJX-UHFFFAOYSA-N 464.983 4.673 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751718 UQGBQPSQKOLBNB-XSFVSMFZSA-N 494.642 4.625 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226797358 CKVUOQPROUORLE-KHCICDEESA-N 472.607 4.569 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526392884 DEJMILLBAKSERP-SANMLTNESA-N 487.556 4.785 10 10 JJCE CC1CCN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586707384 DODCVRVKRXHQDY-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE CCCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868869144 QWIUZAGJBXQPGL-UIOOFZCWSA-N 498.067 4.866 10 10 JJCE COc1ccc(CN2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164037 JFGPOYPRVIMAKQ-UHFFFAOYSA-N 481.552 4.766 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873168234 NPEHHCWYTRQPFK-QGZVFWFLSA-N 467.573 4.639 10 10 JJCE O=C(COC(=O)C=Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2040420988 LYECTVAWXSLWIN-UHFFFAOYSA-N 479.410 4.676 10 10 JJCE CN1CCCc2cc([C@@H](N)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268740512 YMFZFQIIHDKLHG-XMMPIXPASA-N 451.611 4.523 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296544501 QGGXSDPYAPQRBG-UHFFFAOYSA-N 464.616 4.535 10 10 JJCE Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 2297624974 RMYFYDBOQOVEJA-UHFFFAOYSA-N 491.887 4.802 10 10 JJCE COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 2313556551 CWQDSPYELVPGGI-UHFFFAOYSA-N 472.353 4.624 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1nc(-c2ccccc2)cs1 2314913670 RHMCUSUZGBNHAS-UHFFFAOYSA-N 471.654 4.779 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)O 2314932771 PMGLWKAHUMPJLC-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(O)=NC2=S)c1 1204920 JSYZXVVNVOMYKU-QGOAFFKASA-N 463.471 4.925 10 10 JJCE CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)C1=O 8644565 MGOOFSCVHKFCJL-AREMUKBSSA-N 461.587 4.856 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14471271 JWXUZIZOLGATRW-YWYGCRHHSA-N 489.981 4.532 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(SCc4cccc(F)c4)c([N+](=O)[O-])c3)CC2)cc1 20663505 PMEZMDKRQCNVNA-UHFFFAOYSA-N 481.549 4.997 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 33337946 QSNSVXLKAYLTPV-PDGQHHTCSA-N 493.006 4.692 10 10 JJCE O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33807236 MZNBMXZAVKAHDT-ZHZULCJRSA-N 494.617 4.980 10 10 JJCE Cc1nc2c(Cl)cc(Cl)cn2c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 71528048 ZWANWIMHJXZHJO-UHFFFAOYSA-N 450.281 4.977 10 10 JJCE Cc1cc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c(C)n1-c1ccc(Br)cc1 109502192 PUWALFXHTOZBIK-UHFFFAOYSA-N 463.335 4.859 10 10 JJCE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c(C)c1 226685668 CRWYZXGKKYXQKD-GGISIDAXSA-N 452.620 4.896 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526188061 DZJXMWFCZIXZJS-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE Cc1occc1C(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 727465241 XLJZUNRTTRTSMI-DEOSSOPVSA-N 485.544 4.530 10 10 JJCE COc1ccc(O[C@H]2O[C@@H](COCc3ccccc3)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2N=[N+]=[N-])cc1 1857790298 ZTAXYCGZXSYIMV-IRGGMKSGSA-N 491.544 4.641 10 10 JJCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)cn3)CC2)cc1 1858428926 ACBREAUZPBQVOR-UHFFFAOYSA-N 493.416 4.524 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864021106 KJQBUHNMHHANRS-AVRDEDQJSA-N 484.641 4.682 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864021367 BASJDOUKYMDXKA-YOEHRIQHSA-N 496.530 4.503 10 10 JJCE Cc1nc2ccc(N3C[C@@H](C(=O)Nc4ccc(Cc5ccc(N)cc5)cc4)CC3=O)cc2s1 1866259361 PNHJOXMPGNAOHK-IBGZPJMESA-N 456.571 4.769 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(C(C)=O)cc3c2=O)sc(C)c1-c1ccccc1 1866461187 FICUPEPERAHUOB-UHFFFAOYSA-N 460.511 4.807 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 1868480869 HKCRKHVHYLCVBE-VWLOTQADSA-N 489.579 4.797 10 10 JJCE CCCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165562 PHHNEFZRZUWXPP-UHFFFAOYSA-N 457.574 4.773 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168094 IWKHGHQWOQONJZ-DEOSSOPVSA-N 461.606 4.665 10 10 JJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(O)cc1O 1951605480 MBTYNUIRSZVDRS-NRFANRHFSA-N 463.486 4.638 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2296537564 XRCIGYRXGMHPNP-QGZVFWFLSA-N 490.002 4.948 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N2O1 2297347636 PPJSYFKYXJEMFT-UHFFFAOYSA-N 451.910 4.865 10 10 JJCE COc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314831101 CNSKNMNVZWCBMX-UHFFFAOYSA-N 462.980 4.674 10 10 JJCE CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N1CCN(c2ccc(OC)cc2)CC1 20103821 KUEZFVQHLOJEIM-UHFFFAOYSA-N 459.468 4.766 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 33519420 CJKWZVNRPLQZEA-UEIJICEPSA-N 464.616 4.787 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)NC(C)C)c(OS(=O)(=O)CC)c1 37421049 GBODPJXLPREFMU-UHFFFAOYSA-N 479.618 4.521 10 10 JJCE CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 47152394 YULMISQBZKOLEJ-NHZCGGKSSA-N 453.545 4.770 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526190814 QRDFAMWFVOJAQE-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC(C)(C)C 1705669238 HAEZZDHYVXUEPI-MUUNZHRXSA-N 472.637 4.650 10 10 JJCE CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860270920 GZDXZUFXLAOUGA-SFHVURJKSA-N 499.007 4.914 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(O)cc(O)c2)sc(C)c1-c1ccc(Br)cc1 1866088294 UEFTVUXMMRYBKO-UHFFFAOYSA-N 462.321 4.936 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(C)c(C)c1 1866111864 IVTGCSQORCMHON-NRFANRHFSA-N 480.586 4.518 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419256 WQZYSGFYYGCQCQ-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccccc4)c4cnn(-c5ccccc5)c4n3)CC2)cc1 1873487479 CXQLLOBEHSJYIE-UHFFFAOYSA-N 477.572 4.894 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CC(C)(C)[C@@H]1OCc1ccccc1 1881515282 KHGPEVMZZPICSA-HOFKKMOUSA-N 453.627 4.860 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)cc1C 2079955423 AMPGRGFIUWRVEI-QGZVFWFLSA-N 456.324 4.877 10 10 JJCE CCN(CC)c1ccc([C@H](NC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2106866603 WFFCSVWUSYACOI-RPBOFIJWSA-N 454.659 4.819 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2296536576 DVPYBRVTOHRTJB-UHFFFAOYSA-N 494.554 4.514 10 10 JJCE CCN1C(=O)C(=Cc2cc(Br)c(OC(=O)c3ccccc3)c(OC)c2)SC1=S 2297500291 YKGDTYSVHAUTQS-UHFFFAOYSA-N 478.389 4.898 10 10 JJCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2297511685 YRVQTAROGUVICU-UHFFFAOYSA-N 466.950 4.859 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 2323858525 HIJBCHPWEDSONR-UHFFFAOYSA-N 472.607 4.517 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)cc3C)ccc21 20729332 WAXKZHRHBSCYND-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE COc1cccc2c1O[C@H](C)C(/C=C1/SC(=S)N(Cc3ccc4c(c3)OCO4)C1=O)=C2 33523536 NYNCGRQWSUJBBJ-RNDVCUHJSA-N 453.541 4.533 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 39861758 RPKUAYQQYBDWFI-VCHYOVAHSA-N 496.478 4.657 10 10 JJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 40928375 AWJBSXAIRRWZJS-MRCUWXFGSA-N 474.648 4.918 10 10 JJCE CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)O1 59337073 HJZJBLIYODMOIB-UHFFFAOYSA-N 456.407 4.541 10 10 JJCE CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C\c1cc(Br)cc(OC)c1O 101549860 GKTPFMIKAAEANJ-PDGQHHTCSA-N 487.350 4.926 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 1084518475 USHZVOWXWQKXAD-BKUYFWCQSA-N 495.304 4.834 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccc(Cl)c1 1860344424 XTVJVFKSUVUXGA-UHFFFAOYSA-N 468.944 4.544 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCCc5ccccc54)c4ccccc34)[C@@H]21 1860347400 NYIMEPJUGFOUMJ-GDLZYMKVSA-N 476.580 4.768 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864013814 GXLGZTMIOSXKME-AVRDEDQJSA-N 484.641 4.827 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424902 SSUHFRPVDXSWEK-QGZVFWFLSA-N 471.557 4.856 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc([N+](=O)[O-])ccc1O 1952829524 MLCMAOJLDDEUAN-GBXCKJPGSA-N 474.469 4.697 10 10 JJCE C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1)c1ccccc1O 2192610590 CQZJVCIUZIBJMI-GFCCVEGCSA-N 482.318 4.835 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 2297499022 WSWBCYLQIQAMTO-UHFFFAOYSA-N 465.512 4.709 10 10 JJCE COCCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S 2297559878 QWUQOKDNZNKOCQ-UHFFFAOYSA-N 464.952 4.675 10 10 JJCE C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)C1=O 10913828 YEWYXSSHIYJZMX-HMILPKGGSA-N 466.537 4.955 10 10 JJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14462213 JXUYRSJHQZUIRI-NEGYVOTHSA-N 481.662 4.817 10 10 JJCE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 20210594 DUWUSGRFNDJBTR-RBRHTRMMSA-N 461.934 4.807 10 10 JJCE Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)cc1 39885770 NQFDBOGKVUTTOS-BOPFTXTBSA-N 498.680 4.979 10 10 JJCE Cc1oc2c(CN3CCC(C(=O)N[C@H](C)C(C)C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 110200389 KGJIAFKOZZFUEB-GOSISDBHSA-N 462.590 4.847 10 10 JJCE C=CCC(C)(C)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705802311 HJFPAOPCCKIUJX-NDEPHWFRSA-N 497.684 4.646 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592145 HUQYFCUAJOECIL-WWOVWOHCSA-N 491.590 4.868 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1OC 1858593976 GGNNKFCPGBYWEY-DDNKWHRWSA-N 454.617 4.742 10 10 JJCE COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1 1865668124 HJNMABKUTIYBPM-GDNBJRDFSA-N 455.230 4.815 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(NC(C)=O)ccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866520105 XEZLKNQNYAVMRW-UHFFFAOYSA-N 489.553 4.871 10 10 JJCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(CC=Cc3ccccc3)CC1)c2Cl 2052963846 MPSQXCIWZHDFFY-UHFFFAOYSA-N 470.956 4.587 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2078980927 JMBROSQIAMBTQH-SFHVURJKSA-N 468.335 4.801 10 10 JJCE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819079 CDTSMNBIGMMTEU-YAVLFOCPSA-N 498.572 4.681 10 10 JJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2314504329 FDTQURBAUGQSPR-UHFFFAOYSA-N 451.573 4.659 10 10 JJCE COc1ccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 2323874316 MWDGRCVGLXJNGT-UHFFFAOYSA-N 454.617 4.570 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)ccc1OCC(=O)N(CC)CC 2332139752 NUFMOMRNCKZRTA-UHFFFAOYSA-N 498.583 4.562 10 10 JJCE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)c1 2978130 AJAYRTOMUAVCDR-CLJVFQDKSA-N 498.564 4.820 10 10 JJCE CCOc1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 27515525 AKEFVEWFJATCSY-XSFVSMFZSA-N 461.509 4.897 10 10 JJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990156 MMHMOHWMFZHTOV-MPOXASMUSA-N 486.707 4.920 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S 102989118 DUSJEQQSAQRZJF-NBVRZTHBSA-N 458.653 4.631 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccc(C)cc1 206292574 YLOKYUSRNQSIJX-HYARGMPZSA-N 491.594 4.524 10 10 JJCE C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C1 586671903 ZILAXUQVYRWXSQ-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 729278714 STSHJUAKQOBVKC-DJJJIMSYSA-N 453.366 4.730 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(F)cc1 1860746981 NWBWQXKZBADILB-UHFFFAOYSA-N 471.466 4.525 10 10 JJCE CCCC[C@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866595170 GYJJZXVYEFHESJ-DEOSSOPVSA-N 486.543 4.847 10 10 JJCE CC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937610 AYNZKVYAQSWGHK-KERYWQKISA-N 484.527 4.628 10 10 JJCE CC[C@H](C)OC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1872956037 AFASLRSDXGXDPQ-SFHVURJKSA-N 458.514 4.892 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCOC(C)C)C2=O)cc1 1873420930 YZJFWFXMSLEBFK-UHFFFAOYSA-N 479.527 4.989 10 10 JJCE COc1ccc(CN=c2[nH]c(C)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)s2)cc1 1874016287 FBARMABALYMMGA-UHFFFAOYSA-N 483.549 4.522 10 10 JJCE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080030117 IVLWQOPMYPVJAF-MRXNPFEDSA-N 484.334 4.587 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)cc1 2293205610 WHMFKUQEDWAYQZ-UHFFFAOYSA-N 473.616 4.699 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 2293358530 BKXDHZIOKFSSPS-UHFFFAOYSA-N 452.511 4.688 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2296755556 LBPFMDMTSRAFQH-UHFFFAOYSA-N 461.952 4.868 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)c2ccccc12 2297456039 OTJCSTWDXSNLTE-UHFFFAOYSA-N 470.710 4.835 10 10 JJCE CCCCOc1ccccc1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313548132 MMBZJKISBMSHLO-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(CCC)c3ccccc32)SC1=S 2314769068 NYZYFSLRHPHWOQ-HXUWFJFHSA-N 480.611 4.709 10 10 JJCE O=C(CN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827853 NVVMWTSQLIXJGO-UHFFFAOYSA-N 472.897 4.904 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)ccc1OCc1ccccc1 2323777825 WVEJXWJKSFNOFV-HXUWFJFHSA-N 457.573 4.585 10 10 JJCE CCC[C@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330440014 FTVTUQUTILDYES-DEOSSOPVSA-N 466.537 4.789 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(Cl)c(O)c(OC)c2)cc1 2332139620 ALLGZPUKUFHMIO-UHFFFAOYSA-N 464.905 4.906 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2c(O)cccc2Br)[nH]1 2362657667 JNTPISOEFNCMOH-INIZCTEOSA-N 456.406 4.867 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 33313196 HAXJYSXJIQRAKJ-STZFKDTASA-N 486.480 4.869 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC3CCCC3)nc12 33781648 LUVTXYXYRQIPKH-MOSHPQCFSA-N 494.617 4.898 10 10 JJCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 59861087 JYIOCOYLGRXFKS-RCCKNPSSSA-N 490.943 4.632 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccc(F)cc1 62694690 VNORLYSQCUNGPY-UHFFFAOYSA-N 477.624 4.777 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CSc2nnc(N)s2)cc1 72413672 SQZYXHVRWHCBBC-JOCHJYFZSA-N 488.642 4.810 10 10 JJCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)SC1=S 1860826978 NKUUVJJKVWZPHG-ZCXUNETKSA-N 493.393 4.586 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1862142124 QNCXAQKZAKMEKI-UDKPXMKSSA-N 490.003 4.568 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCc3cccs3)C2=O)cc1 1873163922 CMBKBOUOSNOJAX-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873167078 RBPXELUOTDLGEG-UHFFFAOYSA-N 480.612 4.906 10 10 JJCE COCCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168028 GWNALSRBYPSAOO-NRFANRHFSA-N 457.574 4.561 10 10 JJCE CN1CCc2cc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C(=O)O)ccc21 1952742428 KOKGYUYVIJVOEB-UFHPHHKVSA-N 454.526 4.517 10 10 JJCE O=C(N[C@]1(c2cc(F)cc(F)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952912744 FGXDEYHYSLHALJ-CPJSRVTESA-N 451.425 4.509 10 10 JJCE CCCCN1C(=O)C(=Cc2c(N(CCC)CCC)nc3c(C)cccn3c2=O)SC1=S 2296540738 MASFFIRKZDXUQH-UHFFFAOYSA-N 458.653 4.631 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2296723154 JLLNKSUKZIGJOX-CQSZACIVSA-N 469.563 4.934 10 10 JJCE CCOC(=O)c1sc(N2N=C(C)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)nc1C 2297313158 FHRZJIKMQIETMX-UHFFFAOYSA-N 492.557 4.571 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1 2297469657 BKASCLKUPRNZSM-UHFFFAOYSA-N 485.569 4.801 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 2297500086 IUSVWAIIKPEYJY-UHFFFAOYSA-N 498.406 4.522 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(C=C3SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2314414712 JPQOAICVTBFXIE-UHFFFAOYSA-N 470.664 4.851 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 2314647784 IAOJGDHBHWANLA-UHFFFAOYSA-N 491.638 4.524 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 2314934657 JKNYSPFDRGYJHA-UHFFFAOYSA-N 492.525 4.606 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 2332105187 GPFFXOWAUQYPHL-UHFFFAOYSA-N 490.387 4.519 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2Br)C1=O 1455688 DPFGWOIPAPQRCF-RQGFIEOQSA-N 459.390 4.942 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 6603495 JNVCOMHDMCCKRR-NSNCLKJASA-N 488.550 4.643 10 10 JJCE CCOc1ccccc1NC1=NC(=O)/C(=C/[C@@H]2C(=O)Nc3ccc(Br)cc32)S1 8821709 QVJYWWQJGZAWIG-NWRYFCBHSA-N 458.337 4.509 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 14475665 MOGDSCLJPDZRTK-KHCICDEESA-N 463.515 4.928 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15047137 GCUAPUYLSCEWFH-WVECVHPGSA-N 466.584 4.648 10 10 JJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 20205480 MVMQFUFBAAXZMA-JLFKZYKSSA-N 496.614 4.710 10 10 JJCE CCN(CC)c1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478219 CZPCYRXYDGHAKQ-JPOGYNCRSA-N 480.659 4.857 10 10 JJCE CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 96878848 SZFCQBDGJGFGEX-YMDFIQGPSA-N 466.924 4.819 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526215514 WHAIQDYDAMYASY-XMMPIXPASA-N 463.486 4.571 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526376768 GCKLNZXDTDHUOY-RUZDIDTESA-N 477.513 4.959 10 10 JJCE CCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862122336 ZNUICYWNSURTAY-NDEPHWFRSA-N 499.655 4.851 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1-c1cccc(Cl)c1 1862313223 ODRACGBOCQHHKD-UHFFFAOYSA-N 452.986 4.839 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1862374250 NXSPYRPAHTUALL-UHFFFAOYSA-N 468.557 4.519 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668131 HORFKYLHBUKWQJ-LPYMAVHISA-N 476.504 4.690 10 10 JJCE COc1ccc(Cn2cc(OCCO)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1870793227 NSEFYDYAOPTONS-UHFFFAOYSA-N 471.557 4.632 10 10 JJCE Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c(O)c1 1873875314 BNYFDHRIMVNXMI-UHFFFAOYSA-N 464.525 4.617 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4cccs4)c4ccccc34)[C@@H]21 1873881922 MJXGCSNVOPTKHE-HHHXNRCGSA-N 484.625 4.599 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(C)c(C)c4)c3)CC2)cc1 1874735961 ZZUBVAWIDBXMDL-UHFFFAOYSA-N 472.585 4.926 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C1CCCCC1 2200971125 LPMMKBOFERZOIP-QFIPXVFZSA-N 468.594 4.895 10 10 JJCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O 2296347537 QGPFSAWVISDZSY-UHFFFAOYSA-N 451.526 4.614 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1Cl 2296397937 IGEXQZLGUDMRFN-UHFFFAOYSA-N 463.921 4.731 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 2297348138 LHRZFBBGFUGXOJ-UHFFFAOYSA-N 453.480 4.673 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)ccc1OC(=O)c1ccccc1 2332134101 KBXMANLQCIOMIE-UHFFFAOYSA-N 467.403 4.658 10 10 JJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641688 WWSSEASKGPPCOT-RSOWOLOUSA-N 472.607 4.616 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)c1 33319973 KNQAAGVIZGLOPX-HMAPJEAMSA-N 456.454 4.779 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 33351513 QEARMMQTDWQESB-LDADJPATSA-N 458.653 4.852 10 10 JJCE CC(C)CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 33436456 AKQIDUNOHASECN-WEHZRUJJSA-N 463.519 4.839 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@@H](C)C2)SC1=S 39989536 JAQGLJVHOTYRDE-FPXKJXHESA-N 472.680 4.583 10 10 JJCE Cc1cccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)c(Oc4cccc(C)c4)cc(N)c2C3=O)c1 206676834 LBPFINPYWOATJQ-UHFFFAOYSA-N 480.524 4.992 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526431200 BJXWAEJRLGWRMU-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)C1 1301651321 UKRDKYRNGLLKHX-QGZVFWFLSA-N 491.086 4.542 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1N(C)CCCC1(C)C 1705480822 YPJSAPYNUWGFFD-CJFMBICVSA-N 458.654 4.931 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)ccc1OCc1ccccc1 1858589533 WVEJXWJKSFNOFV-RQRMZWKBSA-N 457.573 4.585 10 10 JJCE O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859707267 NFMLTSZUJYDOLV-UHFFFAOYSA-N 458.420 4.967 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)sc(C)c1-c1ccc(OCC)cc1 1860748082 KWLFYZVBHRPEAN-UHFFFAOYSA-N 495.601 4.942 10 10 JJCE COC(=O)c1c(NC(=O)CC[C@H]2CCCN2)sc(C)c1-c1ccc(Br)cc1 1866258348 VSTAZPWQWMSNTM-OAHLLOKOSA-N 451.386 4.743 10 10 JJCE C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867320249 PABQYLVGPGJHJC-HXOBKFHXSA-N 491.463 4.521 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccccc3C)CC2)cc1 1870352048 BRCXMHKSGQPEAX-UHFFFAOYSA-N 489.660 4.961 10 10 JJCE CCCCOC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873994449 KNQYDXKAGLSYHT-UHFFFAOYSA-N 466.493 4.924 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080029759 CVIRHFWMYXDGKP-CQSZACIVSA-N 494.251 4.917 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314769595 SJALAAUOVOYNGW-FQEVSTJZSA-N 480.611 4.709 10 10 JJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314769650 TWFJPZCWVMDQGM-QGZVFWFLSA-N 478.389 4.573 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)c1 2314836493 GCSKDVXQBJJZAB-GFCCVEGCSA-N 477.405 4.692 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 15035668 YXUPQDWQPQOLOQ-YBEGLDIGSA-N 452.479 4.554 10 10 JJCE CCCCn1nc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)ccc1=O 31303786 CZJXIJRWGHOGBN-UHFFFAOYSA-N 465.554 4.966 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O 33374737 JROQCBJHSOUWTJ-KGENOOAVSA-N 480.546 4.569 10 10 JJCE Nc1ccc(COc2c(I)cc(Cl)cc2I)cc1 310764406 ZYDSPXOHKQVOOB-UHFFFAOYSA-N 485.490 4.710 10 10 JJCE CCN1CCc2nc3ccc(C)cc3c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1 1859616685 YPFIXYNQAHXDBX-UHFFFAOYSA-N 475.548 4.949 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nnc(C5CCC5)s4)c4ccccc34)[C@@H]21 1860347318 JMLBGRQGBLOCEM-RUZDIDTESA-N 498.612 4.546 10 10 JJCE CC[C@](C)(NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867897032 PMAQKGFTNPJJGT-UHSQPCAPSA-N 478.681 4.611 10 10 JJCE Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867900554 ABZJBCOGZOPULL-URLMMPGGSA-N 498.671 4.876 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080005021 BFCYCLNFXQBBDE-QGZVFWFLSA-N 480.346 4.648 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C2(C)CC2)cc1C 2080025659 RRCCCLGPWHZPFZ-QGZVFWFLSA-N 481.378 4.596 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](CNC(=O)OCc4ccccc4)C3)ccc(N)c2C1 2106809562 HVFRANLEHKPOSJ-OAQYLSRUSA-N 494.636 4.705 10 10 JJCE Cc1[nH]c2ccccc2c1C=C1C(=N)N2N=C(SCCOc3ccccc3)SC2=NC1=O 2297365853 ISNWRPKTNHILTF-UHFFFAOYSA-N 461.572 4.865 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314397525 UPEOEIHKYGZVFM-UHFFFAOYSA-N 489.789 4.664 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCCC(C)C 2314760798 LMGWEENFJJYDID-UHFFFAOYSA-N 451.610 4.665 10 10 JJCE CCOC(=O)N1CCC(NC(=O)C=Cc2cc(C)n(-c3ccc(C(F)(F)F)cc3)c2C)CC1 2324534739 DNTRHOBACFPQQR-UHFFFAOYSA-N 463.500 4.863 10 10 JJCE CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13577232 REBPMQVGJFLAFX-YBEGLDIGSA-N 461.305 4.544 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 15046048 RBSHLUHUMZEJFK-OTWJJXBCSA-N 462.980 4.586 10 10 JJCE O=C(O)c1cccc(COc2ccc(/C=C3\C(=O)N(c4cccc(F)c4)C(=O)N=C3O)cc2)c1 33417113 PTRRLHMVFLRPIY-MTJSOVHGSA-N 460.417 4.610 10 10 JJCE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)C2CCCCC2)cc1 39920681 OLFRSYHUEUYZCU-NRFANRHFSA-N 471.399 4.693 10 10 JJCE CCOc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(CC)CC)cc1)c1ccccn1 54120926 NDURREMRROSGKJ-VWLOTQADSA-N 477.605 4.586 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 108431330 GRKFUMLPQFOOLJ-XNTDXEJSSA-N 479.584 4.695 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 213172136 MENGVSZJTLONDW-AQTBWJFISA-N 451.573 4.715 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)CC1 226829766 DEYZECOAJMSAHH-IECBHUPTSA-N 453.564 4.842 10 10 JJCE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 323359923 WMPYZCXHPWFRQN-HXUWFJFHSA-N 450.627 4.520 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)N(C)C)cc1 1858594172 OGAINVYPIFIGMK-UWNXQOIWSA-N 493.079 4.870 10 10 JJCE CCn1cnc2scc(C(=O)Nc3sc(C)c(-c4ccc(C)cc4)c3C(=O)OC)c2c1=O 1860403175 GPTLMQYGSVKRBT-UHFFFAOYSA-N 467.572 4.862 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3C(F)(F)F)c3ccccc3)CC2)cc1 1861926138 YBFBIJGQWVTHPQ-DEOSSOPVSA-N 497.517 4.534 10 10 JJCE CC[C@](C)(NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867155748 XACFTEFAXWIJGB-MHZLTWQESA-N 489.597 4.888 10 10 JJCE Cc1ccc(/C(=C/C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1868135835 UFMJMDKUSWIORN-BUVRLJJBSA-N 478.548 4.627 10 10 JJCE CCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870686793 WCOYEWVMMNTSAL-UHFFFAOYSA-N 475.633 4.601 10 10 JJCE CCCCOc1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871307559 NBWMROARWXXWPJ-UHFFFAOYSA-N 478.553 4.643 10 10 JJCE CCc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874016209 CKGULHBBZPOXFV-INIZCTEOSA-N 481.504 4.845 10 10 JJCE CCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642963 RHZIHQFCHWGQEE-HHHXNRCGSA-N 490.648 4.523 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)S1 2293261747 WHDPHMBKZJZJDU-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 2296724107 SJTYUDHYZMEPJG-KRWDZBQOSA-N 470.664 4.712 10 10 JJCE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cc(OC)c(OC)c(OC)c2)cc1 2313683268 WBDKYMMMJUDWKP-UHFFFAOYSA-N 473.529 4.858 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OCC)c3ccccc3)C2=O)cc1OC 2314769976 XLVFKJGBUUGRGE-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(Cl)cc1 2314831185 FHRUCAQFWLIFLE-UHFFFAOYSA-N 461.952 4.868 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(O)=NC2=S)cc1 33342726 HNHMUMYBHKWYFC-MTJSOVHGSA-N 460.515 4.982 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 40888709 WXKWSJFPVBXFCA-STZFKDTASA-N 471.600 4.737 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(CN2C(=O)CCC2=O)cc1 247959121 PEUDBIUKIQUHSH-NDEPHWFRSA-N 464.521 4.714 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526408391 YXVPIPHSATXIFA-RUZDIDTESA-N 460.530 4.836 10 10 JJCE Cc1cc(CCNC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)n1-c1ccccc1 729587777 RGAMYMVZBDSICT-QHCPKHFHSA-N 458.566 4.778 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4ccc(Br)cc4c3)c2)CC1 1538714518 MQTXRVCMJCZQAE-UHFFFAOYSA-N 452.352 4.523 10 10 JJCE CCCCOc1cn(Cc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665118 LCTJQKIWTHDUGB-UHFFFAOYSA-N 475.633 4.715 10 10 JJCE CC(=O)NCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422140 IBOFBRAEOOEYKZ-UHFFFAOYSA-N 484.600 4.546 10 10 JJCE CO[C@@H](c1cccc2c1ccn2C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952353490 GMLWWIVNVISNBB-FTJBHMTQSA-N 470.525 4.858 10 10 JJCE CC1(C)CN(Cc2ccccc2)[C@@H](CNCc2cc(Cl)cc(Br)c2O)CO1 2194660499 CVGUSYLJFVRYSN-SFHVURJKSA-N 453.808 4.577 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1 2293402381 UULLTLWRQULLIC-UHFFFAOYSA-N 454.342 4.665 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S 2293763576 LMOQGIAEVJQTJY-UHFFFAOYSA-N 465.962 4.593 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294106401 IIQRZODHIOHSAO-UHFFFAOYSA-N 498.322 4.796 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 2294229363 NFAJDJVUJDMEHJ-UHFFFAOYSA-N 488.565 4.504 10 10 JJCE CCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 2296727543 LTBTVDPLYUMVHW-OAHLLOKOSA-N 467.827 4.509 10 10 JJCE CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2296807676 YPNJJACLKZNXFU-UHFFFAOYSA-N 460.602 4.545 10 10 JJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15048080 AHTRJBWWKSTDFJ-RRMQHPPMSA-N 498.626 4.830 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OCC)c3)SC2=S)cc1 16919548 POLURYRVYWAEQQ-XSFVSMFZSA-N 473.572 4.743 10 10 JJCE CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)c(N4CCCCCC4)cc32)cc1 21359522 WZVWFIDCODVXRP-UHFFFAOYSA-N 458.555 4.708 10 10 JJCE C/C(NCCc1ccc(O)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205954335 OFLQKIVQKHECOV-HAVVHWLPSA-N 454.555 4.859 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2cccc(OC)c2OC)cc1 205970943 RLUJHPVLJOOWBK-XQNSMLJCSA-N 461.493 4.989 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 206384484 VLLJWUQDWMEMRY-SFFGGSCWSA-N 483.597 4.978 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526391310 DDNAOFSROJMPOG-VWLOTQADSA-N 490.512 4.521 10 10 JJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)SC(=S)N1CCc1ccc(O)cc1 1858587829 DPEOSXTZJLWZRZ-OVCLIPMQSA-N 470.797 4.958 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccc2cc[nH]c2c1 1860570765 RZTWWHDSUZCHKO-UHFFFAOYSA-N 486.487 4.843 10 10 JJCE CC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861962807 GSUMIIKWYTXIRE-GOSISDBHSA-N 484.811 4.513 10 10 JJCE CCc1sc(NC(=O)c2cncc(N)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866002784 VOFZYSINRLSFJL-UHFFFAOYSA-N 460.353 4.756 10 10 JJCE CC[C@](C)(NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840766 IQLLVWSXGSSQFN-ADKRDUOOSA-N 486.543 4.703 10 10 JJCE CCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870487871 RFRBBGRZAUJIOL-UHFFFAOYSA-N 475.633 4.785 10 10 JJCE Cc1ccc(Cn2cc(OCCO)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1870793063 XYXOJWFFPSKLTN-UHFFFAOYSA-N 455.558 4.932 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCc3cccs3)C2=O)cc1 1873164167 PAXCBGFPBUQBCE-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873164849 VSYDJURPJRVCNG-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE CCOc1ccc(C(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874720668 AXQOQSLADVAIFE-UHFFFAOYSA-N 487.600 4.741 10 10 JJCE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)N(c2ccc(C)cc2)N=C1C 2297511227 RRIYWKSCJXUFHN-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE COc1cc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 2313682427 CEYGVOHNNFIYJZ-UHFFFAOYSA-N 488.500 4.758 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)cc2c1 2314648302 UMXVKPSTNHJZLP-UHFFFAOYSA-N 453.633 4.914 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c(C(=O)O)c1OC 2314930085 XIBVTDVTMRVKMM-UHFFFAOYSA-N 480.361 4.570 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094585 VMHSAZWQHWEKTB-UHFFFAOYSA-N 465.303 4.703 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 33317858 JEJHUGUOIUAFRZ-NDENLUEZSA-N 462.437 4.957 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33467416 JIIGWEOJGOJZGG-CAPFRKAQSA-N 478.643 4.659 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 59679479 SXGAGBMARRDUOM-JAIQZWGSSA-N 493.972 4.585 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 206709443 RMHFUYVIMWLEDG-FMQUCBEESA-N 460.621 4.528 10 10 JJCE Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(C)C3=O)c2C)ccc1I 218425158 DTNFJAJCKDAISN-SXGWCWSVSA-N 468.385 4.838 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526352383 XDOQUEIFTZZECT-XMMPIXPASA-N 475.497 4.730 10 10 JJCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCCSc2nccs2)CC12CCCCC2 1690850994 QHCNEEKEOZAHKP-UHFFFAOYSA-N 490.743 4.877 10 10 JJCE COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)s2)cc1 1858035383 NGFCXGHLYVCNPG-UHFFFAOYSA-N 452.351 4.551 10 10 JJCE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1ccc(Cl)cc1Cl 1862331554 AIPHZKIJAVNPPP-UHFFFAOYSA-N 459.377 4.848 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CC[C@H](C)C2 1865923049 INGJECASLRMWAK-KBPBESRZSA-N 491.009 4.703 10 10 JJCE 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COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cc(Br)ccc1OC 2313499038 CTBYUVQJGBJBCM-UHFFFAOYSA-N 456.336 4.639 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414341 WPRCTVCLCXSMKL-ARWYELJZSA-N 470.664 4.993 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2314650475 IYUICMIZXJMJKS-CYBMUJFWSA-N 486.354 4.773 10 10 JJCE COc1ccccc1OCCOc1ccccc1/C=C1\C(=N)N2N=C(c3ccccc3)SC2=NC1=O 2978235 NIYZWSPCVOMSPJ-FELLMVSNSA-N 498.564 4.820 10 10 JJCE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14462211 JXUYRSJHQZUIRI-LHUSGLCKSA-N 481.662 4.817 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(C)c3C)ccc21 20729390 PETMNWOWAVJRMM-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE Cc1ccc(C)c(OCCn2cc(/C=C3\C(=O)N=C(O)N(Cc4ccco4)C3=O)c3ccccc32)c1 83317126 QOYNXWHJHJHLAT-HZHRSRAPSA-N 483.524 4.797 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526333036 LUZNXOVLBRIARP-RUZDIDTESA-N 490.512 4.521 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526478698 HVRZDSFFDBOFOX-XMMPIXPASA-N 475.497 4.730 10 10 JJCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cc2)C1 730481647 KMCHQQCXHDJTSO-CPJSRVTESA-N 495.982 4.617 10 10 JJCE CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1084047213 ZWFJTROYBNKAHT-JWGURIENSA-N 457.530 4.751 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1cccs1 1705480533 WHLQOQRNIXSWMX-DWXRJYCRSA-N 459.619 4.780 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CCCC2 1859479140 XQPFFYBFVDRNEZ-KRWDZBQOSA-N 454.592 4.666 10 10 JJCE CC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347462 QKHLHDUWBJZYFB-NDEPHWFRSA-N 478.552 4.630 10 10 JJCE CC(C)Oc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860600196 ULRALXHQSXXHEU-UHFFFAOYSA-N 496.563 4.740 10 10 JJCE Cc1ccc(CN2N=C(c3ccccc3)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 1865679361 JQKZOGOCOZRRFP-BKUYFWCQSA-N 455.470 4.505 10 10 JJCE CCC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696174 RSCCVQOMIMQADF-SVBPBHIXSA-N 479.665 4.767 10 10 JJCE CCOC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149772 ZELVEMXKNMNYII-UHFFFAOYSA-N 484.556 4.589 10 10 JJCE CCCCOC(=O)c1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 1874002730 RZFGMYPAAFMION-UHFFFAOYSA-N 466.493 4.924 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CSc4ccccc4)c3)CC2)cc1 1874737190 NRMWDKPIDHGFIK-UHFFFAOYSA-N 490.625 4.788 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCc4ccccc4C)c3)CC2)cc1 1874737891 SBIKPPBKFCWAHP-UHFFFAOYSA-N 486.612 4.937 10 10 JJCE O=C1NC(=S)N(CCc2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296167066 RFHRFUPWHHKDPZ-UHFFFAOYSA-N 465.578 4.559 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 2297458215 RXBSNOLLKOANFS-UHFFFAOYSA-N 466.522 4.768 10 10 JJCE O=C(O)c1cccc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 2297533728 PGAODKLFTVVBHZ-UHFFFAOYSA-N 470.359 4.692 10 10 JJCE CCN(CC)CCCN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323767984 VXWAUQFLSFPAEI-UHFFFAOYSA-N 463.850 4.741 10 10 JJCE Cc1ccc(CNC2CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C2)c(O)c1Br 2381130985 HMIJGPYTAXKDBL-UHFFFAOYSA-N 453.299 4.541 10 10 JJCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 2281602 KJDKVJNJZWLJAF-BKUYFWCQSA-N 466.415 4.951 10 10 JJCE CCCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 39870363 PWUXTLIHIOLRCK-QJOMJCCJSA-N 469.582 4.806 10 10 JJCE COCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 98002427 KDPPFWFRZSYEHB-WQRHYEAKSA-N 461.634 4.682 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@@H]2C=CC[C@@H]21 226860990 SPSWLRMKYKXXNU-UMTXDNHDSA-N 476.598 4.696 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526153997 SQSXLNJZWUTVSG-OAQYLSRUSA-N 468.303 4.926 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526201192 QDEKWBTUBWGMMD-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)ccc1Br 1084588153 KPEWSSZQXGLLME-ZHZULCJRSA-N 484.394 4.906 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc5c4ccn5C)c4ccccc34)[C@H]21 1860347448 QCRZDLRURXLKEO-LJAQVGFWSA-N 489.579 4.919 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-n4cccc4)sc3-c3ccc(F)cc3)CC2)cc1 1860376403 MDJGCJCSPOHLHQ-UHFFFAOYSA-N 462.550 4.711 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)c2nccn2C)cc1 1866014101 QSXUMQYEAXRALA-QFIPXVFZSA-N 461.393 4.858 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696175 RSCCVQOMIMQADF-SXOMAYOGSA-N 479.665 4.767 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)c(O)c2O)C1 1952527087 ATZDZLJTBANPGO-IVZQSRNASA-N 475.497 4.590 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2053494581 YNVVEZZFZLTWCU-UHFFFAOYSA-N 468.648 4.527 10 10 JJCE CC(C)(C)OC(=O)NC[C@@H](CNCc1cc(Cl)cc(Br)c1O)C(F)(F)F 2105244710 ADVCRJNVMJJBIP-SNVBAGLBSA-N 461.706 4.601 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2293039654 XCTMUWMKPHBVIO-ZDUSSCGKSA-N 452.351 4.774 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cccc(Cl)c2)c1C 2294034585 HECFYDYZBKXMSY-OAQYLSRUSA-N 454.954 4.599 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296295061 CVEVCWSKDFKXAJ-UHFFFAOYSA-N 471.944 4.959 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(Cl)cc1 2314831513 MPYPAHVZDQLWNT-UHFFFAOYSA-N 461.952 4.868 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 2314932708 OQDRLXXYELVMOC-RHSMWYFYSA-N 457.573 4.900 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O 14459503 GAXQHAXTKGFLAM-JXQFQVJHSA-N 454.592 4.838 10 10 JJCE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210729413 PPXJUMSTCTUWIV-CJLVFECKSA-N 492.622 4.955 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c1 526158966 UALJBFSTJHZYJP-AREMUKBSSA-N 472.541 4.980 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526372022 ICGBOFLWYSVOPS-SANMLTNESA-N 488.540 4.772 10 10 JJCE CC(=O)c1cc(F)cc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)c1O 1307791969 KEEWXJQUVOGOEH-UHFFFAOYSA-N 454.311 4.517 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748511 DFMDIRJQZLTZCC-UHFFFAOYSA-N 458.486 4.982 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](CC(C)C)c3ccc(F)cc3)C(C)C)CC2)cc1 1868936330 TUJFWKCRSGKERR-NEKDWFFYSA-N 497.655 4.844 10 10 JJCE CCCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168495 XELQHNXBWQDCDJ-UHFFFAOYSA-N 485.584 4.883 10 10 JJCE O=C(N[C@]1(c2cc(Br)ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952773787 ACVSSBJANVJYMP-OFVILXPXSA-N 494.341 4.993 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079030785 AAHFWHLLYSTQSG-INIZCTEOSA-N 468.335 4.887 10 10 JJCE CC[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccccc1O 2084885688 JLTXKLAWZHIPRV-LJQANCHMSA-N 451.608 4.631 10 10 JJCE CCN1CCc2cc([C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc3ccccc3)ccc21 2106851382 SPONLTSGYUWRAC-WVQWTBLQSA-N 453.627 4.828 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC 2297347410 GNBVAARVTHURDL-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12 2297350266 WMWIKZVWDYPYGU-UHFFFAOYSA-N 492.487 4.783 10 10 JJCE C[C@H](COc1ccccc1)Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21 2297463219 PULTZXQZKMEWIO-FQEVSTJZSA-N 451.526 4.818 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(CC(C)C)N=C2C(F)(F)F)cc1OC 2332139293 QKMGIBSBDTYCKB-UHFFFAOYSA-N 483.531 4.523 10 10 JJCE O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(Br)cc1 691735 SQWRRIBOMCTTSQ-UHFFFAOYSA-N 457.309 4.885 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc4ncnc(N(C)c5ccccc5)c4c3C)CC2)cc1 2926908 KVKXHHPTRCMZOI-UHFFFAOYSA-N 473.602 4.739 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238740 FISBPSCOXOIGEP-PUYZJMEQSA-N 473.470 4.531 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOc1ccccc1OC 27531697 ZVUMDZCGPCWSKU-RCCKNPSSSA-N 459.589 4.773 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152244 NSZKIWGKIRATIE-BOPFTXTBSA-N 477.951 4.574 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 504214357 ONIYFPDUNXFTST-QPPCPWFDSA-N 498.966 4.911 10 10 JJCE biogenic CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526467387 KKTVOQPZXDEUAR-XMMPIXPASA-N 475.497 4.730 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1N=Nc1cccc(-c2cccc(-c3nn[nH]n3)c2)c1O 606503350 KWJKFQSAMABKBG-JOCHJYFZSA-N 466.505 4.731 10 10 JJCE in-man CC(=O)N1CC[C@H](NCc2cc(Br)cc(Br)c2O)c2ccccc21 1461353088 CRNUUSYSOLQYKS-INIZCTEOSA-N 454.162 4.505 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)Cc1ccccc1Cl 1857996981 TZHRJDKPCZDXRS-UHFFFAOYSA-N 463.918 4.905 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c3c(nc4ccc(F)cc24)CCC3)N2CCCCC2)cc1 1866272672 NRXNOPNETIRDRX-AREMUKBSSA-N 460.597 4.886 10 10 JJCE Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867900556 ABZJBCOGZOPULL-WDYNHAJCSA-N 498.671 4.876 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873166024 YYBLAQYZEYDVCD-UHFFFAOYSA-N 461.606 4.691 10 10 JJCE CCOCCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170763 PNTKTEBUHKAMJD-UHFFFAOYSA-N 485.628 4.823 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418649 SJYFLVYMYPDTFB-UHFFFAOYSA-N 492.535 4.610 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 2293250302 RNYAPNHAMCEWIO-UHFFFAOYSA-N 456.369 4.886 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 2297511502 RMCLJUTVQVYDEE-UHFFFAOYSA-N 464.525 4.818 10 10 JJCE CC(NCCSCc1[nH]cnc1C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682448 COTNXVCZUAXPDP-UHFFFAOYSA-N 488.642 4.876 10 10 JJCE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 2314764886 OLLDNCUGCQKBFZ-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OC(C)C 2314764923 PEIXVTPSWDFMLV-UHFFFAOYSA-N 462.980 4.682 10 10 JJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O)C(=O)O 2314931226 MTKVYKTVHUWPCN-NSHDSACASA-N 464.362 4.707 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCC 2323844433 MWRNDZGBVOZAMR-UHFFFAOYSA-N 457.573 4.974 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)N(C)C)cc1 2323879769 DUBNNXODCHBRFJ-SFHVURJKSA-N 472.661 4.525 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2c(O)cccc2Br)[nH]1 2362632218 JNTPISOEFNCMOH-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE O=C1/C(=C/C=C2\SC(=S)N(Cc3ccccc3)C2=O)SC(=S)N1Cc1ccccc1 2816418 UUROCNIJGRUBIA-WHYMJUELSA-N 468.650 4.875 10 10 JJCE COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(N2CCOCC2)cc1OC 20496382 ANQVWSZSSMQKSL-CSKARUKUSA-N 452.482 4.591 10 10 JJCE Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 22422638 WYUSDINRQVMVBR-OAHLLOKOSA-N 475.408 4.751 10 10 JJCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C(C)C)cc4)ncn3)CC2)cc1 65133698 ROQRJSFBAKJUAF-UHFFFAOYSA-N 477.634 4.666 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OCC 206712856 WLCCTQAGGIRJGG-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 526500882 LRICBQPAOUKROM-HHHXNRCGSA-N 485.584 4.655 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 1084057175 ONGSWDBMFVGZAJ-QJOMJCCJSA-N 457.530 4.515 10 10 JJCE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1084090479 PDMHQYXYQROCAJ-JAIQZWGSSA-N 451.885 4.861 10 10 JJCE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCSc2nccs2)CC1 1705763737 COWCAGRKASKVDI-UHFFFAOYSA-N 465.446 4.831 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(O)cc2)sc(C)c1-c1ccc(Cl)cc1 1860758804 PUVZUXAWQXLYTR-UHFFFAOYSA-N 472.950 4.514 10 10 JJCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864013458 BMCFKVBSIOFPNT-XMMPIXPASA-N 498.583 4.610 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420028 GSJFSFNXNVBOET-UHFFFAOYSA-N 488.544 4.619 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1C 2293532014 WOMQPBAYKGMWBS-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE O=C1C(=Cc2ccccc2)SC(=S)N1CNc1cccc(I)c1 2296734155 BBDBTNSHIWRRSO-UHFFFAOYSA-N 452.342 4.562 10 10 JJCE CCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)NC1=S 2297316674 PCHVREAHXQEPGX-UHFFFAOYSA-N 479.371 4.643 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3OC)c(OC)c2)SC1=S 2297347228 JYONICUOWPMOPB-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1Cl 2297357994 LOTBPGYRYNLUQC-UHFFFAOYSA-N 458.699 4.559 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@H](C)CC 2297561549 KNEZPCRKGVWUFY-OAHLLOKOSA-N 486.615 4.817 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 2313631257 HSRXISHUOHXNOA-UHFFFAOYSA-N 475.520 4.654 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 2314627549 IFAGRUCZMNKATM-FQEVSTJZSA-N 487.046 4.749 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c(c(C)nn4-c4ccccc4)c3C)CC2)cc1 9610222 IQOBOWCNXNCEJF-UHFFFAOYSA-N 483.616 4.636 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1O 14459678 HDFKNRIDOXPGAV-GLDPYIMESA-N 454.592 4.792 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 14550840 RSRHPEKQPRDZMO-FBLLAGFSSA-N 461.543 4.900 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NC3CCC(C)CC3)nc12 33489172 KBOAZWOHTBAVMQ-LDADJPATSA-N 456.637 4.603 10 10 JJCE Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 33736905 NEUQGLOCJLANFR-IJQXDZDCSA-N 497.580 4.824 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33807232 QXSAOOPJJZPZCI-UNOMPAQXSA-N 482.606 4.755 10 10 JJCE CCOc1cc(Br)c(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1OC 96476670 GTIAYSGDORMPDZ-ZSOIEALJSA-N 479.327 4.667 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 102862877 DMOVWSSLEZYKAN-XDJHFCHBSA-N 488.679 4.621 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(C)C 206924347 FPLXFZAURYRNBK-STZFKDTASA-N 470.616 4.975 10 10 JJCE COc1ccc(-n2nc(C)c3c(C)cc(=Nc4cccc5c4C(=O)c4ccccc4C5=O)[nH]c32)cc1 1859832864 QCIYKZBTNUVIKV-UHFFFAOYSA-N 474.520 4.987 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(F)cc1 1860747189 YMEAVICPERNBKX-UHFFFAOYSA-N 483.521 4.575 10 10 JJCE CC[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867125266 QEERRVLJLKOEKA-JOCHJYFZSA-N 488.971 4.972 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868938991 JSSWTOHIUJWWBN-BTYSJIOQSA-N 497.655 4.988 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)ccc2O)C1 1952448602 MFAMTAGBLQSKBM-VOIUYBSRSA-N 459.498 4.885 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2079998683 BNODLIBBGGOPJB-AWEZNQCLSA-N 472.323 4.501 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 2296551082 REJTWMRAYBQONB-UHFFFAOYSA-N 464.319 4.523 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 2313548612 ZUTHFDRTKLWYQZ-UHFFFAOYSA-N 471.351 4.911 10 10 JJCE CC1CCN(C(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)CC1 2314487270 PFOPEQBOUUDNHG-UHFFFAOYSA-N 458.649 4.858 10 10 JJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(Br)cc2)C1=O)C(=O)O 2314931225 MTKVYKTVHUWPCN-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934155 YLBAIUGGTBDOIR-NSHDSACASA-N 494.388 4.715 10 10 JJCE COc1cc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)ccc1O 3192040 DYMWDFDNPDHJPE-ACAGNQJTSA-N 461.874 4.696 10 10 JJCE aggregator CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1 33424344 JKUZDFUBTXTAMT-FDPYHEDBSA-N 478.574 4.962 10 10 JJCE CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)C1=O 97340524 MEOQCXOJOBLIIN-FLIBITNWSA-N 488.676 4.763 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 213162466 JVGYVBJUBTVIPS-AQTBWJFISA-N 451.573 4.715 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526353784 LMJLPYAEOLSEOP-VWLOTQADSA-N 488.540 4.614 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc(C)c1-c1ccc(C)cc1 1866047852 RICCWWBKNAYATF-HXUWFJFHSA-N 462.571 4.806 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2C)cc1 1874188925 LWGMSAWBCCEJNF-UHFFFAOYSA-N 475.574 4.554 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)O 2053498229 VYKVUKXEWUALQJ-UHFFFAOYSA-N 469.462 4.583 10 10 JJCE CCc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2078945424 SYIITMLMIPPELJ-UHFFFAOYSA-N 464.147 4.842 10 10 JJCE N=C1C(=Cc2ccc(OCCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 2293993173 RUGURQZIKRKTOF-UHFFFAOYSA-N 485.363 4.546 10 10 JJCE CN1C(=O)C(=C2SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21 2296537436 MJIVWPMJAMEWQY-UHFFFAOYSA-N 460.621 4.830 10 10 JJCE CCCCc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)s1 2296882362 QKVHMFSOQVCDDY-UHFFFAOYSA-N 467.041 4.764 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 2297312346 CUJGYEUOKXIGCH-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(c4ccc(C)cc4)[C@H]3c3cccs3)CC2)cc1 248095296 HZQNHJPUFGMLGC-SHQCIBLASA-N 489.641 4.898 10 10 JJCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 717046575 KAMABNZYCCHBON-LBPRGKRZSA-N 469.754 4.790 10 10 JJCE CC(C)=CC(=O)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858909032 OXIUHLPXGKEUQT-UHFFFAOYSA-N 454.482 4.655 10 10 JJCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C1CCCCC1)C1CCCCC1)=C(N)O2 1865032839 MIDVGOFXDQKWCS-QHCPKHFHSA-N 494.636 4.582 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)c2nccn2C)cc1 1866283309 WEJQSXJIKPTUSJ-DEOSSOPVSA-N 459.981 4.696 10 10 JJCE Cc1ccc([C@@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866948840 HXJATMXTTHNTOY-KOSHJBKYSA-N 468.553 4.653 10 10 JJCE CC[C@](C)(NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370484 ISEKDTLSZOKAQV-IGKIAQTJSA-N 485.072 4.648 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873167496 KDPCTXXPMOMWCW-UHFFFAOYSA-N 496.655 4.840 10 10 JJCE COc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421463 ZLSLYSDDGCPBPS-UHFFFAOYSA-N 493.007 4.510 10 10 JJCE O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2040572442 JYAUOZIBVKRFMB-UHFFFAOYSA-N 495.402 4.604 10 10 JJCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2163079008 LVCNIUJXBQKUHU-QGZVFWFLSA-N 474.646 4.549 10 10 JJCE COc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S 2294244523 TWLUTQMZRBJCEV-UHFFFAOYSA-N 470.959 4.924 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2296851481 CPTZPSZSLGYIKE-CYBMUJFWSA-N 455.536 4.626 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297303089 CFVMIJWFWKICMM-UHFFFAOYSA-N 461.477 4.525 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)c1 2313555990 ICARPEAZLKNPOU-UHFFFAOYSA-N 473.529 4.558 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)cc1 6498004 DBLVYMWMSHSXNV-HVFYXHJKSA-N 470.510 4.791 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccccc4)c4ccccc4n3)CC2)cc1 23458493 RVYIOCQLHBWVDH-UHFFFAOYSA-N 452.558 4.500 10 10 JJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C\c4ccccc4[N+](=O)[O-])N=C3c3ccccc3)sc2c1 33880814 BXKWDZMZEFENEE-LDADJPATSA-N 470.466 4.737 10 10 JJCE COc1ccc(N2CCN(Cn3nc(-c4ccccc4C)n(Cc4ccco4)c3=S)CC2)cc1 913055529 IATVCDVUZXJPQV-UHFFFAOYSA-N 475.618 4.819 10 10 JJCE COC(=O)c1c(NC(=O)c2nc3cccnc3n2C)sc(C)c1-c1ccc(Br)cc1 1866170551 AUTUUKFNTXCQGD-UHFFFAOYSA-N 485.363 4.807 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(C)cc3)c(C)cc2=O)sc(C)c1-c1ccccc1 1866284189 RCYKBDPPJBGVGQ-UHFFFAOYSA-N 473.554 4.925 10 10 JJCE CC(C)[C@H](CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866740619 MKWPSJJHCVJMKT-SBUREZEXSA-N 486.543 4.874 10 10 JJCE CN(CCc1cnc[nH]1)c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C(C)(C)C)n1 1868340412 CRDSBOSNVGBROW-UHFFFAOYSA-N 480.572 4.695 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccc(Cl)cc3)CC2)cc1 1870437938 BUQGIFSVKMVMCU-UHFFFAOYSA-N 496.051 4.916 10 10 JJCE CCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766258 INNGCCWODHZLQJ-UHFFFAOYSA-N 475.633 4.867 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080053256 SHRSTBMNHUJRJB-OAHLLOKOSA-N 476.261 4.835 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNCc1c(O)cccc1Br 2193991739 OIDAMJCPEXNZGU-INIZCTEOSA-N 453.402 4.840 10 10 JJCE Cc1c(N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297461169 OUPBBGAVEQLLBW-UHFFFAOYSA-N 486.416 4.653 10 10 JJCE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S 2297558944 PDPIZYOSFXHVHX-UHFFFAOYSA-N 497.823 4.951 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(NC(=O)c3ccc(I)cc3)cc2)SC1=S 6178536 GBRXXJGWYYCWKD-LFIBNONCSA-N 494.379 4.765 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C(O)=NC2=S)cc1Cl 59109215 MTRRBVALOZCZFM-HSNFWNHWSA-N 457.983 4.917 10 10 JJCE COc1cc(NS(=O)(=O)c2ccc(N=Nc3c(O)ccc4ccccc34)cc2)nc(OC)n1 1084027953 PUXYVJHJVBPHEX-UHFFFAOYSA-N 465.491 4.569 10 10 JJCE CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 1084537494 QLXRSMLWAKJPJF-WJDWOHSUSA-N 487.350 4.530 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@](C)(CC)O1 1705622901 YTFOHSQDKAAMEG-UFHPHHKVSA-N 475.637 4.786 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C(F)(F)F)cc3[nH]2)N2CCCCC2)cc1 1866537230 LWPMWSWLNCMXQR-HSZRJFAPSA-N 486.538 4.570 10 10 JJCE CC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937612 AYNZKVYAQSWGHK-SYZUXVNWSA-N 484.527 4.628 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994448 VETQCTMLHWQIHK-OAQYLSRUSA-N 473.621 4.724 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cc(OC)c(Cl)cc4OC)cc3)CC2)cc1 1872883915 CSROHWWQKGSJGY-UHFFFAOYSA-N 496.007 4.940 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424672 IJFGNAIIIUYDSY-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C[C@H]1C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952233164 FRBJFSGTEZILOA-IXFSTUDKSA-N 473.525 4.658 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2124540588 JOCRCIMBVIHWHO-RDPSFJRHSA-N 457.575 4.522 10 10 JJCE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C 2294093848 WSXVHGAVTAAGPJ-UHFFFAOYSA-N 491.931 4.509 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2296704202 WCMWSUOCBJFKEN-INIZCTEOSA-N 495.651 4.534 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 2296711259 HQQAJWIHMDDMHM-UHFFFAOYSA-N 451.411 4.720 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2297309767 YGCHBIHJUBMWAA-UHFFFAOYSA-N 482.536 4.971 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 2297313834 NVTBGEZFVXFMPM-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(c5ccc6c(c5)OCO6)SC4=NC3=O)cc2)c1 2297470432 XISBXHUTIWEPEV-UHFFFAOYSA-N 496.548 4.970 10 10 JJCE Cc1ccc(OCCOCCOc2ccccc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2297499457 GLHVUWBJJYFFNG-UHFFFAOYSA-N 492.601 4.745 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O 2314829047 YXUPQDWQPQOLOQ-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE CCN(Cc1ccccc1)c1ccc(/C=c2\sc3nc(-c4ccc([N+](=O)[O-])cc4)cn3c2=O)cc1 12615674 UYCHCOUESMCNAH-XYGWBWBKSA-N 482.565 4.905 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1cccc(C(F)(F)F)c1 15037823 AADJTMQCOHJQFA-YBEGLDIGSA-N 452.479 4.641 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc(I)c1O 33247354 DGEODXYQPQEHPB-MFOYZWKCSA-N 476.314 4.818 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 33291721 XNUNQRPTEFVXGU-YDZHTSKRSA-N 495.601 4.596 10 10 JJCE CCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33459298 XQZFNVVGPRAUOC-LDADJPATSA-N 456.637 4.605 10 10 JJCE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C2SC=CN12 33705509 KJNQPDBAFYGIOZ-MRDWGVERSA-N 458.312 4.944 10 10 JJCE COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCCc1ccccc1 40942103 LAAUNMUPILBBNZ-WJDWOHSUSA-N 450.379 4.568 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)cc1 59858218 LSGLEKFFASVNGO-NDENLUEZSA-N 464.909 4.717 10 10 JJCE COc1ccc(O)c([C@H](C)Nc2cc(I)cc(I)c2)c1 690333991 NRWUMJOZLXHXJN-VIFPVBQESA-N 495.098 4.783 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(=O)N(c3ccccc3)C2=O)cc1 1084268855 UCIBDZJAALRSCB-AQTBWJFISA-N 451.276 4.934 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 1084432998 HAEBVFMUQSZGLO-GRSHGNNSSA-N 498.869 4.872 10 10 JJCE CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)o2)cc1 1137438894 XVWQNPVVHMOTJL-OAQYLSRUSA-N 452.938 4.903 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 1860758126 BUDYGWXHVSHDGF-UHFFFAOYSA-N 486.977 4.817 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008567 NBXXJBQMHKWFJI-QFIPXVFZSA-N 496.995 4.636 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(Cc3ccco3)C2=O)cc1 1873419003 KXHHDPSKAPIJEQ-UHFFFAOYSA-N 481.508 4.808 10 10 JJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2079022873 LNWNAIJLIYHIRO-QGZVFWFLSA-N 453.368 4.647 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)cc1C 2079984929 MGTVNYVKNPKGOG-IBGZPJMESA-N 454.352 4.815 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCc1ccccc1 2294094895 CJTFONHZBRZOHO-UHFFFAOYSA-N 456.498 4.557 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2296703966 BOOKYEFCDCKXGQ-UHFFFAOYSA-N 497.667 4.782 10 10 JJCE Cc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 2296727469 DYFZLGQPZZIWPH-OAQYLSRUSA-N 465.596 4.994 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 2296881362 CYCGDWJGGTWCBM-UHFFFAOYSA-N 450.629 4.678 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccc(O)cc4)S3)[C@H](c3ccccc3O)C2)cc1 2314952143 URZFBKNFPXHJLE-QFIPXVFZSA-N 471.538 4.928 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(OCC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 20238690 GJFFRCIIDVOTNO-FZFSNDCFSA-N 453.480 4.673 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 33314332 CKEJLGCKVZVXGD-RGVLZGJSSA-N 480.473 4.767 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 33590446 LQHICXYRKNOPFA-GHRIWEEISA-N 474.677 4.919 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)o1 59381871 WLRXYXVERFHOOV-OVCLIPMQSA-N 470.357 4.772 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 210695918 IEOCSBZRDCLXDU-GZTJUZNOSA-N 466.506 4.944 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1F 731404371 KYKFJJOIHYVAHC-IBGZPJMESA-N 469.536 4.950 10 10 JJCE CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 1084600662 ACISQXUBHHORAX-RGEXLXHISA-N 450.878 4.628 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1O 1307683032 GUHSDSDWYYPLDD-PZJWPPBQSA-N 453.341 4.881 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)c1O 1473374464 JWJSLAGAQHVDIA-QHCPKHFHSA-N 453.970 4.683 10 10 JJCE CC[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 1614238869 OQDRLXXYELVMOC-XBQMVRNASA-N 457.573 4.900 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4ccc(N5CCCCC5)cc4c3=O)cccc21 1866463865 AFEFATQTFCZTNM-UHFFFAOYSA-N 477.520 4.546 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(NC(C)=O)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866520655 ULYFDHHYCJPPKX-UHFFFAOYSA-N 489.553 4.871 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873166192 GKDVEYSRYBAYJN-PXDATVDWSA-N 469.585 4.704 10 10 JJCE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(O)c(O)c1 1951973892 YGVBPIPYEDJKMV-JOCHJYFZSA-N 461.514 4.757 10 10 JJCE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296711288 KBARPUZLQFRCNG-CYBMUJFWSA-N 486.018 4.695 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 2313631298 JANCJSSDGRZSBF-UHFFFAOYSA-N 470.367 4.651 10 10 JJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C(=O)NC1=S 2313656549 CBROVBBHDRLJGU-UHFFFAOYSA-N 475.570 4.542 10 10 JJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740994 QZSLGJWARLNVIH-UHFFFAOYSA-N 485.627 4.861 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 2314827340 BYOZJRBPINWXQT-UHFFFAOYSA-N 482.505 4.650 10 10 JJCE O=C1/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1C[C@@H]1CCCO1 33699554 YYHGEHOCACUDHT-QBNCKDSPSA-N 471.003 4.637 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152325 QQRCCSXBAKLTIM-WIWNTQSISA-N 481.477 4.842 10 10 JJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 72413064 NZCZPWXAJHDSRA-RUZDIDTESA-N 471.557 4.721 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3CN3C(=O)c4ccccc4C3=O)cccc21 170556405 QHFLPSZKRAUAAY-ZWKOTPCHSA-N 492.531 4.503 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4cccs4)SC3=S)sc2c1 208742338 PCNZDFPBBULWBF-OQLLNIDSSA-N 461.615 4.596 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)NCc1ccccc1 210759567 RBTJZJUYUYPZCA-HMMYKYKNSA-N 469.588 4.673 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526139709 FCZLSHMKHZSCNO-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)c1O 1473587583 ANXBZIOEPWQFPJ-UGSOOPFHSA-N 464.912 4.916 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1859478312 MAZKIAGGYWAHBI-UHFFFAOYSA-N 453.383 4.999 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1Cl 2293191904 CCRPYLLYGXVJIL-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 2297330025 ZCKGIQWBOXREOW-UHFFFAOYSA-N 494.345 4.532 10 10 JJCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(SCC)SC3=NC2=O)c1C 2297470134 JBJCTNGFFZUTKO-UHFFFAOYSA-N 453.593 4.823 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 2313557771 LQKPTZMTAMEVRB-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 2313560244 NUYZFHLKCSLSPO-UHFFFAOYSA-N 464.568 4.969 10 10 JJCE COc1ccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1OC 2323882301 MCCDUXDGMGQQSH-LJQANCHMSA-N 454.617 4.742 10 10 JJCE CC[C@](C)(NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330474605 RWMYGYVAUFXCPS-LJAQVGFWSA-N 477.649 4.640 10 10 JJCE CCOc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331594870 LMVAZRHPFWONIC-UHFFFAOYSA-N 470.616 4.960 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cccc(Br)c2O)[nH]1 2362659750 XUNMBBZPHBKGHR-OAHLLOKOSA-N 456.406 4.867 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)c(C)c1 2533267 XTCPGJGNSJOIPO-QURGRASLSA-N 479.627 4.516 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCC5(CC4)OCCO5)cc(NCc4ccco4)c1c23 9641986 YEXCNVSYZYDOHN-UHFFFAOYSA-N 457.486 4.588 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468575 SYSWAMAKDPHWER-XLNZFTOWSA-N 470.591 4.524 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15044240 WIAVCFGZGOQPAN-HKWRFOASSA-N 456.589 4.801 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 15398857 SRJXOBJIIQQXMM-XMMPIXPASA-N 487.453 4.902 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238791 VHCSLFQZCAUTJZ-DXIKEOKKSA-N 477.458 4.514 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3c(C)cccn3c2=O)SC1=S 33492899 QBVAIZRQIYKIIG-OKSBFYSISA-N 458.653 4.852 10 10 JJCE O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1088688001 CDRKZONEGWPANX-UHFFFAOYSA-N 479.627 4.901 10 10 JJCE C[C@H](C(=O)Nc1ccccc1)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827297 WKERKOUKJFYKJG-ZFMLPXDISA-N 493.610 4.907 10 10 JJCE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866242435 ZQHCZYCUOWKDDP-UHFFFAOYSA-N 491.569 4.537 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866685027 YRIPKXLPBHPRQO-IKPXGLPCSA-N 480.564 4.961 10 10 JJCE CC(C)OC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870911558 VCOLWSSHTZETEY-UHFFFAOYSA-N 498.583 4.978 10 10 JJCE CCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871131872 KWHAXDKAEKVWLH-UHFFFAOYSA-N 462.594 4.909 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 1952728851 QMCQXIQZGXFZTM-YOHDVBOVSA-N 473.525 4.658 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079993499 SONJUUQESPBGAM-QGZVFWFLSA-N 486.350 4.747 10 10 JJCE CC(C)(C)OC(=O)NC[C@H](CNCc1cc(Cl)cc(Br)c1O)C(F)(F)F 2105244709 ADVCRJNVMJJBIP-JTQLQIEISA-N 461.706 4.601 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3sccc3Br)cc2)CC1 2286070585 AXBUWXBZZNFGEX-QGZVFWFLSA-N 453.402 4.649 10 10 JJCE COc1ccc(OCCOc2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)cc2OC)cc1 2297335641 FMFQADRTUHUXOC-UHFFFAOYSA-N 458.514 4.968 10 10 JJCE CC(C)CC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C(=O)N=C2S1 2297349813 NOENVBVNGYSIAG-UHFFFAOYSA-N 493.545 4.718 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1C 2313570781 GBMYPFAETUYFJK-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414497 AVEHNTSLTQKPHM-UHFFFAOYSA-N 456.637 4.749 10 10 JJCE O=C(O)CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 2314457890 LRJQMJPGKPDOEO-UHFFFAOYSA-N 478.599 4.781 10 10 JJCE CCCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)s1 2314489456 QAWUJNLHHNGUBP-UHFFFAOYSA-N 496.639 4.914 10 10 JJCE CC[C@@](C)(NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329560775 RZOCZXDESQWBKL-SSEXGKCCSA-N 489.660 4.739 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccc(F)c3)CC2)cc1 20289472 HQMLFIBECLEWKO-MHECFPHRSA-N 453.583 4.578 10 10 JJCE CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O 20764361 KXUOCGXHWTUTEN-OZXSUGGESA-N 460.530 4.809 10 10 JJCE CN(C1=NC(=O)/C(=C2\C(=O)N(C)c3ccc(Br)cc32)S1)c1ccc(Cl)cc1 33334349 ZYYXUNBKFZDOFO-FOCLMDBBSA-N 462.756 4.556 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066512 NPUCQRAOPYYBQE-LPKQHDGYSA-N 484.622 4.799 10 10 JJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 40888466 DGKBKWQJYAXLCA-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3cccnc3)S2)cc1 54201559 JYEANYSZCZKVQD-AUAXKSBWSA-N 453.571 4.969 10 10 JJCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C)n1-c1ccccc1 62694442 KWBDXJYEZFSQPZ-UHFFFAOYSA-N 493.673 4.581 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc1OC 96477315 MVVALGSPKWKKGE-DHDCSXOGSA-N 475.364 4.836 10 10 JJCE COC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 102936906 JLXULNYSOWPBID-VBKFSLOCSA-N 455.536 4.517 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526344139 OIBVSWRJOJISJJ-VWLOTQADSA-N 477.513 4.959 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526353148 FYDAFKJZKFBWEI-VWLOTQADSA-N 488.540 4.614 10 10 JJCE NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)CC1 1081076301 YPMYMUQCJATWCW-ODLFYWEKSA-N 476.385 4.953 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2ccccc2F)n1 1860550568 IEXYMYUTUWXWAD-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE Cc1ccc(C)c(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296102777 ADUMAFPZQYXZDU-UHFFFAOYSA-N 497.551 4.982 10 10 JJCE CCCCNC(=O)[C@@H](C(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580020 HLFLSFNOMNAZHW-MRXNPFEDSA-N 455.443 4.591 10 10 JJCE Cc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)sc2c1 2314563179 QSHJIIJEEWSXKH-UHFFFAOYSA-N 457.577 4.974 10 10 JJCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1=O)C(=O)O 2314932539 NPGKDZWWQQSIQP-GOSISDBHSA-N 498.626 4.772 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCNC(=O)C=Cc3ccc(C(C)C)cc3)C2=O)c1 2320656514 WOYUSUBWAJUGLO-UHFFFAOYSA-N 466.628 4.849 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)cc1 2323865148 NNQVSNLLFHEMAP-UHFFFAOYSA-N 475.035 4.989 10 10 JJCE Cc1ccc(CN[C@@H]2C[C@@H](C(C)C)N(C(=O)OCc3ccccc3)C2)c(O)c1Br 2352686891 MOPDOEKDVXCPOD-UXHICEINSA-N 461.400 4.988 10 10 JJCE COc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(O)=NC2=S)c1 1162819 GARWNXMNKUHORQ-FRKPEAEDSA-N 456.321 4.611 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471389 PSSVCHLUKGFNNV-VOLVWJTLSA-N 453.926 4.984 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15044296 WGXBAOFHILEANU-MOSHPQCFSA-N 472.588 4.507 10 10 JJCE COc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 33424108 MFLWQXIXHSHUSH-UDWIEESQSA-N 452.869 4.528 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 35446306 JKDDZTBOAWPIPD-PIUNUONSSA-N 477.611 4.928 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Cc3cccc4ccccc34)c3ccco3)CC2)cc1 38940506 SEYJWJCPIJVOHI-MHZLTWQESA-N 469.585 4.664 10 10 JJCE Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)cc1 54201720 ZGQVMSIFSQTNHS-ISKFKSNPSA-N 484.581 4.879 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCOC)C[C@H]3CCCN4CCCC[C@H]34)c(O)ccc12 1614472178 NIWGNJSJZZMLKX-ZJSXRUAMSA-N 456.627 4.554 10 10 JJCE Cc1cc(O[C@H](C)C(=O)NCCc2ccc(O)c(O)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1860273850 JCXMASFAMIDJFF-LJQANCHMSA-N 487.552 4.538 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cc(Br)c1O 1865667301 QBKPJQPJFOLJQH-LDADJPATSA-N 494.345 4.792 10 10 JJCE COC(=O)c1cccc(/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc23)c1 2037888071 RRGWXUGPBJKXAI-BYYHNAKLSA-N 482.493 4.693 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(CN)c2I)cc1C 2079836789 KJXUWBGYTDFAPW-MRXNPFEDSA-N 461.294 4.596 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079986121 RJVIMJNTHHRPQG-SFHVURJKSA-N 484.334 4.501 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(CO)c2I)C(C)(C)C)cc1C 2079987360 SYZWQYOJJRVICD-GOSISDBHSA-N 454.352 4.815 10 10 JJCE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163170376 WFFIWESADZJESI-SANMLTNESA-N 474.646 4.836 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc12 2294095054 GOCWWIFAZAAIPO-UHFFFAOYSA-N 465.303 4.667 10 10 JJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1cccc(F)c1 2294216497 OSPVJJFVWGYGKL-UHFFFAOYSA-N 493.354 4.672 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 2294623816 YWFUDFOXBPTTDK-UHFFFAOYSA-N 460.939 4.768 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccc(Cl)cc2)cc1 11730726 CETPPCQXSXSGBQ-UHFFFAOYSA-N 489.782 4.765 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469336 CYLGDZYOSVDCTC-LOYIFYEOSA-N 477.605 4.519 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15040038 UCHSAQZROBDBOA-QNGOZBTKSA-N 486.615 4.810 10 10 JJCE COc1cccc(OCCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20236524 KVIHCECFCOQAFC-VFWYHHDWSA-N 497.935 4.655 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)ccc1OC(C)C 33317967 NFWAKMDOVRQFBB-SXGWCWSVSA-N 459.296 4.752 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccc(C)cc1 40867441 YLOKYUSRNQSIJX-HMAPJEAMSA-N 491.594 4.524 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 103494067 WYGOGUQNBXAVQL-NLEVOZIKSA-N 493.545 4.780 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c1OC 526588655 XCTSZFAMIKMWFA-NRFANRHFSA-N 453.878 4.826 10 10 JJCE CCCOc1cccnc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC 1860768021 RSNBNYBTCGMZLI-UHFFFAOYSA-N 485.537 4.800 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865674857 BKRDYPLCCHEZQT-KGENOOAVSA-N 469.969 4.792 10 10 JJCE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685663 GGNCCQFVPPLKLF-RRPNLBNLSA-N 477.649 4.603 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168272 OZYVSEKRZRUKNQ-QFIPXVFZSA-N 482.628 4.619 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccccc4C)cc3)CC2)cc1 1874746546 VADIXSVDTWCYKK-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1O 1951863929 SXDZWFOPYFPQAG-QHCPKHFHSA-N 476.485 4.991 10 10 JJCE CCN1CCc2cc([C@@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163064665 XXHMCWSRXNKIBE-LEAFIULHSA-N 466.622 4.946 10 10 JJCE C[C@@H](N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)C 2200972634 RYTIUGQNCNYYSS-NQIIRXRSSA-N 470.610 4.997 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2296851482 CPTZPSZSLGYIKE-ZDUSSCGKSA-N 455.536 4.626 10 10 JJCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)CC1 2297576192 YPMYMUQCJATWCW-UHFFFAOYSA-N 476.385 4.953 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2cccc(OC)c2)cc1 2313683432 ZXOUAODVBSZEID-UHFFFAOYSA-N 457.530 4.527 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)c1 2321582868 IHFQGYHOANZFJS-UHFFFAOYSA-N 453.419 4.508 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccccc1Cl 2332141474 XMQHHLLRYROPGH-UHFFFAOYSA-N 475.888 4.850 10 10 JJCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15048369 OLHBIFOCJHRSDY-XWCAUFEOSA-N 478.595 4.564 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)o1 17837681 MANLQLPLUVGIHL-ODJOWLHGSA-N 457.471 4.831 10 10 JJCE CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 53364155 KXUOCGXHWTUTEN-JYFHCDHNSA-N 460.530 4.809 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 103865416 TUXOCSMDLVECEQ-HJOGWXRNSA-N 497.522 4.818 10 10 JJCE C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 586671012 RZUZOXIWLJAMDZ-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC[C@H](CN2CCCCCC2)C1 728751872 WETOCTOVNJDKRW-HXUWFJFHSA-N 464.601 4.554 10 10 JJCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(C)CC1 1705929983 CKQTVGCVNVWAQR-UHFFFAOYSA-N 481.666 4.580 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(Cl)c3)c3nnc(C(C)C)o3)CC2)cc1 1858122513 IZMRNLJQWJHAME-QFIPXVFZSA-N 468.985 4.726 10 10 JJCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCCCCCC1)=C(N)O2 1864008702 QBKPZOUYWVRNEG-HSZRJFAPSA-N 482.625 4.624 10 10 JJCE CCc1sc(NC(=O)CCCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866114863 YBKTZIZOMJERIW-UHFFFAOYSA-N 454.342 4.720 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(O)ccc3[nH]2)sc(C)c1-c1ccc(C)c(C)c1 1866481521 JHFDVYUVKOGVIQ-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](Oc5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869099808 IHIHNWLYDTYSLK-AREMUKBSSA-N 487.648 4.983 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164152 OQQXMRAMFYIMHX-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164269 TYFHUKDGIFSTHL-UHFFFAOYSA-N 451.526 4.757 10 10 JJCE CCCN1C(=O)C(NCc2ccc(C(=O)OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165429 OCXWZYNPDQMOFO-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079980671 IBGPLERTIVOKEO-KRWDZBQOSA-N 486.350 4.577 10 10 JJCE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CNC(=O)OC(C)(C)C 2163172049 MJDHYPAHRUEZDO-QZTJIDSGSA-N 474.646 4.549 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C 2296808041 NFFNSIRXZHJTGG-UHFFFAOYSA-N 474.502 4.571 10 10 JJCE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(C(=O)OC)c1 2313682857 MESMNHWWHFIIQW-UHFFFAOYSA-N 487.487 4.536 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)OCCOc3ccccc3)cc2)SC1=S 2331595047 GPKOSVFXOBYASB-UHFFFAOYSA-N 471.600 4.545 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)CC2)cc1 6577503 MOBCIFFGKOHBKZ-UHFFFAOYSA-N 466.994 4.926 10 10 JJCE aggregator CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1ccc3c(c1)CCCN3C)CC2 11839454 CBZLENPDZXPHDQ-IZLXSDGUSA-N 461.650 4.589 10 10 JJCE CCCCSc1nnc(-c2ccccc2N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(O)n1 15016273 GIHBAMORMAILSB-CYVLTUHYSA-N 460.563 4.855 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751717 UQGBQPSQKOLBNB-ZHZULCJRSA-N 494.642 4.625 10 10 JJCE Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C(N)=O)C3=O)o2)c([N+](=O)[O-])c1 39861539 NDDHSWIGFHJZIL-YBFXNURJSA-N 465.512 4.668 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@H](c1cc(Cl)ccc1O)N2 65298012 ZCJWALQXXYKZJY-JOCHJYFZSA-N 471.985 4.917 10 10 JJCE biogenic Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(Br)c(Cl)c1 96476664 VGEXHTPZYUXBMP-QPEQYQDCSA-N 452.761 4.607 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2c1 208280404 CZCILIDVFYYCTC-PXLXIMEGSA-N 461.612 4.781 10 10 JJCE CN(C)N=Nc1ccc(S(=O)(=O)N(C(=O)/C=C\c2ccccc2)C(=O)/C=C/c2ccccc2)cc1 263625526 PRBZBDMKTXSLLA-JPCFMJLISA-N 488.569 4.718 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526463056 HSBZCRDFEWZTDI-XMMPIXPASA-N 475.497 4.730 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)c(O)c1 526547078 RXQGGLTXPXVNKY-QFIPXVFZSA-N 469.440 4.841 10 10 JJCE COc1ccc(N2CCN(Cn3nc([C@@H](C)N4CCCCC4)n(-c4ccccc4)c3=S)CC2)cc1 732416554 HSZYLPLNVVPQDQ-JOCHJYFZSA-N 492.693 4.738 10 10 JJCE CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)n2)c(F)c1 798156680 VTIFBKHRXKOCOB-UHFFFAOYSA-N 484.918 4.578 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CC)CCOCC1 1705622617 NKHZJEZANGGBPM-UHFFFAOYSA-N 475.637 4.645 10 10 JJCE CC(=O)Nc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860345081 RXRQDHZFHHTTBB-UHFFFAOYSA-N 491.551 4.562 10 10 JJCE C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867703391 MNCPBFGVTMEVJL-HXOBKFHXSA-N 491.463 4.521 10 10 JJCE CCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871586005 ZVPRNNXZWLXOIP-UHFFFAOYSA-N 475.641 4.537 10 10 JJCE O=S(=O)(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(F)c(Br)cc1F 1891755233 DTLMTRFJPXHWIA-UHFFFAOYSA-N 467.263 4.930 10 10 JJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C(F)(F)F 2079683752 PYWPXZXPUBWEKN-UHFFFAOYSA-N 475.046 4.585 10 10 JJCE Cc1cccc(C)c1OCCn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21 2293308550 LKTKLWKXINNAJM-UHFFFAOYSA-N 451.526 4.799 10 10 JJCE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCC(C)C)C3=O)c3ccccc32)c1 2296710605 CCWNWTAIBVJDHZ-UHFFFAOYSA-N 493.654 4.906 10 10 JJCE O=C1C(=Cc2ccccc2I)SC(=S)N1CNc1cccc(F)c1 2313502196 ZWGDSHJRACACCZ-UHFFFAOYSA-N 470.332 4.701 10 10 JJCE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15036678 KGAGEFBAGVPHBT-JCMHNJIXSA-N 492.622 4.955 10 10 JJCE Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C2)cc1 33168755 YOWFGNHGHFZCJB-NRFANRHFSA-N 461.635 4.535 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33438187 NEAFLVJGIYNQFN-RGEXLXHISA-N 470.664 4.631 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490848 UUJYOYZJUBAOPY-MOSHPQCFSA-N 478.643 4.515 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152321 YEBHLWKAKXHOQG-FFCYNSPCSA-N 481.477 4.842 10 10 JJCE CCCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O1 58834157 XYDRDQAWWUHDBG-UHFFFAOYSA-N 469.490 4.962 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1 208275989 RAWXVLQDKCVLET-ORTNRGLGSA-N 453.633 4.914 10 10 JJCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210706426 DFEBOEGHAPLRFZ-RCCKNPSSSA-N 478.595 4.565 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028717 YQKUPRGDSGWVPE-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865923690 VKWAMPQUXHJXGF-AWEZNQCLSA-N 493.423 4.858 10 10 JJCE CC(C)=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871058704 ILAVWEFIZWEYDI-UHFFFAOYSA-N 488.632 4.881 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(Cc3ccco3)C2=O)cc1 1873419119 PXLVQWZJBIPQJR-UHFFFAOYSA-N 477.524 4.956 10 10 JJCE CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422952 XTXUKVBNYAGMFN-UHFFFAOYSA-N 454.574 4.906 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(F)cc4F)cc3)CC2)cc1 1874757041 DTQWYOVQEOVIQF-UHFFFAOYSA-N 479.527 4.621 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](CCNCc1cc(Cl)cc(Br)c1O)C(F)(F)F 1913270663 NPPSJLBWSDTTNA-LBPRGKRZSA-N 461.706 4.743 10 10 JJCE Cn1ccc2ccc([C@@]3(C(=O)O)C[C@@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cc21 1952695697 KTDRYFONYKTOBH-LSYYVWMOSA-N 452.510 4.812 10 10 JJCE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccc(N2CCCCC2)cc1 2106826265 ROKMOODUGDJTSU-DQEYMECFSA-N 453.627 4.736 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2293152732 BZJLTKLMZMLKTQ-UHFFFAOYSA-N 492.959 4.966 10 10 JJCE CCN1C(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2293215417 SCFZVUBIXUGBGH-UHFFFAOYSA-N 484.020 4.646 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Cl 2297349324 XKVDHOXLZCVQFG-UHFFFAOYSA-N 460.964 4.689 10 10 JJCE CCN1CCN(c2cc(Nc3ccc(OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741965 XBBDAUDYKBIEER-UHFFFAOYSA-N 454.530 4.933 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc(NC(=O)Nc4ccc(Cl)cc4)nc3C)CC2)cc1 8772105 QLRJRCFMXMBKGX-UHFFFAOYSA-N 485.997 4.720 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 15037743 PPZRGWZPMPPPSG-WJDWOHSUSA-N 481.477 4.844 10 10 JJCE O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1CCCc1ccccc1 33448034 IPEZVSBIJXWIHO-SFQUDFHCSA-N 481.380 4.831 10 10 JJCE CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)o3)C2=O)cc1 33448475 GILNPLSAJGBWGS-OQKWZONESA-N 486.528 4.869 10 10 JJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990220 YLOUPQBVRPGXAW-IEOAWGNMSA-N 472.680 4.819 10 10 JJCE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N12 104372817 YTIOQHYAUNVMJN-PZRDSRLZSA-N 476.992 4.950 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(COc2ccccc2C(N)=O)c1 109154426 RPMXCKPATQWJJD-UHFFFAOYSA-N 457.574 4.627 10 10 JJCE CCCOc1c(Cl)cc(/C=C/C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1OC 110358829 GSZKYOFBTVZACV-BJMVGYQFSA-N 458.986 4.944 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccccc1C 206297890 NWRMZVPPEMJFTG-LPYMAVHISA-N 491.594 4.524 10 10 JJCE C[C@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 586717326 KHJKSGFUVPCVIB-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE CN(Cc1ccccc1)C1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 717584236 BELBVWKIDAWBQN-UHFFFAOYSA-N 450.627 4.663 10 10 JJCE COc1ccc(OC)c(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)c1 1084291331 CEIVMYLFPPGABK-MFOYZWKCSA-N 465.394 4.737 10 10 JJCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 1479099572 MJXQIHZPQNNGKE-SANMLTNESA-N 450.627 4.807 10 10 JJCE BrC1=CCCN(c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)C1 1587550880 UVBLSZBPPISGJU-HNNXBMFYSA-N 470.462 4.648 10 10 JJCE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(CC)CC)cc1 1705613412 HBEKWFUCFWPAHU-HSZRJFAPSA-N 494.684 4.747 10 10 JJCE Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 1860276071 JAKXXXXCQWAQAP-UHFFFAOYSA-N 487.483 4.966 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)c1O 1865672162 NUDWAPWUGTZQKN-AUWJEWJLSA-N 473.220 4.647 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873170548 FAZCXKPDBOZOIX-QFIPXVFZSA-N 482.628 4.619 10 10 JJCE CCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1873551995 KVBFZQVORHDMBP-UHFFFAOYSA-N 492.668 4.685 10 10 JJCE CCN1CCc2cc([C@@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163130099 DWFKUWKFVXPVMX-LEAFIULHSA-N 465.638 4.913 10 10 JJCE CCN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCC2)cc1 2163143287 LBYHBLJXDKHNOD-SANMLTNESA-N 466.670 4.964 10 10 JJCE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 2294118646 JPPRWRVQWNWPAI-UHFFFAOYSA-N 490.947 4.681 10 10 JJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2294199203 DTGWGPWVNAIYEY-UHFFFAOYSA-N 469.541 4.968 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc(C)c1Br 2294581306 DLAVIVSWUYLBEP-UHFFFAOYSA-N 496.361 4.728 10 10 JJCE COc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1O 2297349246 HZYWQGZVXJXIJJ-UHFFFAOYSA-N 450.379 4.607 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc(Br)c1O 2297353884 RGJHZHZNYGMNOJ-UHFFFAOYSA-N 499.239 4.600 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(F)cc1 2313549154 OJPNBVXIGDZTNF-UHFFFAOYSA-N 474.488 4.697 10 10 JJCE CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)c1ccccc1 3178137 LZINNKGCJLMOCZ-JXAWBTAJSA-N 462.543 4.932 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3-c3nc(-c4ccc(F)cc4)no3)CC2)cc1 33252440 DHYZZXIUAGDFHP-UHFFFAOYSA-N 458.493 4.514 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCCCC3)nc12 33517567 QGRWUJYEZAGQSG-RWZYYMRUSA-N 490.654 4.956 10 10 JJCE COc1cccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c1OC(C)C 33768311 VGOOBTRGZXHIOR-YBEGLDIGSA-N 475.364 4.917 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O 33897867 BIICJVJGJUFPCW-LZYBPNLTSA-N 469.371 4.644 10 10 JJCE O=C(Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl 39899566 MZTFTVCBIHDBSZ-UHFFFAOYSA-N 484.689 4.828 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066539 RUUHUNFQTJLWPN-QNGOZBTKSA-N 480.659 4.611 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 54201756 VZXCZFGJSDYAEB-LOSJGSFVSA-N 497.624 4.931 10 10 JJCE CCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084001182 YKRPWROIJCQUQE-VBKFSLOCSA-N 457.324 4.521 10 10 JJCE Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860344802 GVJFBDSALRGGAE-GDLZYMKVSA-N 478.596 4.803 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)cc2)cc1 1865901725 DOMNICKSUDMSJB-UHFFFAOYSA-N 461.521 4.908 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)SC1=S 1871287232 LHOHCYDQOHHBHU-DJKKODMXSA-N 462.543 4.840 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873166190 GKDVEYSRYBAYJN-BWKNWUBXSA-N 469.585 4.704 10 10 JJCE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848165 DOIQDRAOEGVBSZ-KRWDZBQOSA-N 468.335 4.701 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(CN)c2I)cc1C 2079999475 JNJXDTMZBYTCHN-LJQANCHMSA-N 451.352 4.536 10 10 JJCE CN1CCc2cc([C@@H](O)CC3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163071894 SHWFGZLWLXZNKZ-VWLOTQADSA-N 465.638 4.662 10 10 JJCE COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1 2296937079 MEMULSMUBONBHH-UHFFFAOYSA-N 487.943 4.578 10 10 JJCE O=C1NC(=S)SC1=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 2297295791 FJWZZJIYSGOXKN-UHFFFAOYSA-N 490.154 4.869 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 2314935754 SBGIJCHFSQZNAD-UHFFFAOYSA-N 457.573 4.961 10 10 JJCE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 21963221 ORUBXDIFHUMETQ-HSZRJFAPSA-N 492.447 4.633 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-n1cccc1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 32964473 ASKDIWVBQOXZAU-ODJOWLHGSA-N 462.535 4.893 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 33301341 AAMMTYOVTRIBMI-BOPFTXTBSA-N 466.833 4.814 10 10 JJCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)c1C 33306161 PQZGWNLHTQSMSA-XYSCVJGBSA-N 461.572 4.832 10 10 JJCE Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1 33397440 NGYQSMLTNVWJSM-KGENOOAVSA-N 489.528 4.823 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Oc5ccccc5)cc4)c3N)CC2)cc1 40727949 CMWFGDYNEODOQZ-UHFFFAOYSA-N 468.561 4.930 10 10 JJCE COc1cc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)c1OC 57512133 SKZGAZRRTPYWNS-VZOQVYJPSA-N 458.986 4.644 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)cc1 105636073 CQBYSJNXHAYJHL-UHFFFAOYSA-N 452.558 4.569 10 10 JJCE COc1ccc(N2CCCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)CC2)cc1 108427573 OZIPFCPBMVGKMW-UHFFFAOYSA-N 478.902 4.906 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cc(Cl)c(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526406567 CWZVFFRYLVXGQH-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C)cc1 1084374521 XRWJLOXQMCDVEH-HMAPJEAMSA-N 474.488 4.778 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 1084450953 KKPGVSRFKLCOAI-KGENOOAVSA-N 486.615 4.932 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc1 1858591263 HIJBCHPWEDSONR-RCCKNPSSSA-N 472.607 4.517 10 10 JJCE CCOC(=O)c1c(NC(=O)CCCC(=O)OC)sc(C)c1-c1ccc(Br)cc1 1865979096 ZFKQTHKGPHYAQV-UHFFFAOYSA-N 468.369 4.945 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)c3ccc(OC)c(Br)c3)CC2)cc1 1867943968 GTXPCCKCQUHMAL-NRFANRHFSA-N 475.427 4.945 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(C)c5)CC4)nc(C(C)C)n3)CC2)cc1 1867951616 UEVYOUKAYZFSBV-UHFFFAOYSA-N 486.664 4.570 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873164056 KBWKIPWVOYMHAJ-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170043 MFKBQBWMGQPABX-NLFFAJNJSA-N 476.665 4.684 10 10 JJCE CCCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421574 FPGLNVLIYDSQFW-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873424667 IEXUOHLNPUAXCE-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080038470 RHSOVGMOOAQFER-ZDUSSCGKSA-N 482.240 4.773 10 10 JJCE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2180959935 CFRNJYGOHWPCHI-NRFANRHFSA-N 470.618 4.627 10 10 JJCE C[C@@H](COCc1ccccc1)C[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2270552107 IYWWEVLCVGKMLR-BWKNWUBXSA-N 453.627 4.987 10 10 JJCE COCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S 6581314 FDHCSMGFVKYHHG-WOJGMQOQSA-N 467.971 4.914 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13640967 BDCYMZFXXWALNS-PNCHPQGNSA-N 472.607 4.616 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 14475644 SGPCBMCCHDUNDU-WZOHSFFVSA-N 493.541 4.936 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4n(C)c(=O)c5ccccc5n34)c2C)cc1C 16321223 HLTXHKSKBZQMCL-UHFFFAOYSA-N 471.586 4.581 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33351589 IAVYFGHHOOGHPY-WOJGMQOQSA-N 456.637 4.605 10 10 JJCE CC(C)C1=NN2C(=N)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N=C2S1 33673651 DZZHKEVBRXLPMG-NAAAPUFRSA-N 472.530 4.873 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 35123922 UODQGHATPGRFEO-NUIIPWOLSA-N 451.552 4.531 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 35190564 CSWFBAZXEOKBRZ-JCMHNJIXSA-N 492.959 4.966 10 10 JJCE COc1ccc(NC(=O)c2ccc3ccnc(N4CCN(c5ccc(OC)cc5)CC4)c3c2)cc1 35512234 XZGQQHFZRMBRFT-UHFFFAOYSA-N 468.557 4.831 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)COc3ccc(C(C)(C)C)cc3)c3ccco3)CC2)cc1 56943764 LKOFSKNYUSKNHV-AREMUKBSSA-N 491.632 4.644 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1265565839 CCKRWIXEUHAKFT-YBEMTRGBSA-N 455.299 4.832 10 10 JJCE CNC(=O)COc1cn(Cc2cccc(C)c2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016256 YOXLKFKTOCENIT-UHFFFAOYSA-N 482.584 4.686 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169937 IOOZMTGTOLUROP-NLFFAJNJSA-N 476.665 4.684 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2293370062 LQMPJNPRPZEHGN-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cccc(OC)c1 2297313930 ZVOIRMYITPHECT-UHFFFAOYSA-N 479.558 4.719 10 10 JJCE CCOC(=O)COc1c(C=C2SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cccc1OC 2297366798 SJXWAPUEFXAQSH-UHFFFAOYSA-N 493.990 4.705 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1 2314740283 FSKMQCPBWCWDIJ-UHFFFAOYSA-N 471.600 4.675 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1 2314831122 CVIJMVMTYWAHFB-UHFFFAOYSA-N 455.561 4.995 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Nc3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933925 FGRFULGVBDWOAH-MRXNPFEDSA-N 458.561 4.556 10 10 JJCE COc1ccc(N2N=C(C)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1 2332131636 NYRVDVHYIXUPGG-UHFFFAOYSA-N 466.129 4.732 10 10 JJCE O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 1465904 ZEHOYBVWIWSCAL-UNOMPAQXSA-N 470.522 4.916 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCOc1ccccc1OC 20287023 WGXKBJPHNDYSPI-CJLVFECKSA-N 450.564 4.750 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(Cl)c2)SC1=S 33308944 JUAAKYVFNWIMKT-VCHYOVAHSA-N 463.964 4.798 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066653 NFKKXXUQCRXCQX-NDENLUEZSA-N 484.622 4.708 10 10 JJCE COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 106747907 LJDOXTIQVRNGIK-PXLXIMEGSA-N 457.442 4.629 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCc2cccnc2)cc1 205962643 TUUOAIDTGBHMCN-CJLVFECKSA-N 455.543 4.515 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526147168 KDNLNOOQVWIZNV-HSZRJFAPSA-N 463.486 4.571 10 10 JJCE COc1cccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1OC 1865672776 LASOSEARQXYSML-UVTDQMKNSA-N 455.230 4.815 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cc(Cl)cc(Cl)c3n2)c2nccn2C)cc1 1866537932 HCMSSZIFOXBRBU-FQEVSTJZSA-N 470.360 4.566 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425273 VJSXGIQXBMNKEU-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3sccc3Br)cc2)CC1 2286071370 MJZSIDLMTARJGR-QGZVFWFLSA-N 452.418 4.616 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc4ccccc4c2)N3)CC1 14475243 IZPQJUAHBMZNOS-DXBVXKBHSA-N 459.615 4.602 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33468431 GUEGRHAZPBAEHQ-QGOAFFKASA-N 468.604 4.599 10 10 JJCE COc1cccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1O 34683891 ZFLCNJWZCGSSEI-UHFFFAOYSA-N 487.021 4.914 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 37402142 VTVLDJQTAQBQTN-UHFFFAOYSA-N 488.581 4.836 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39989803 QXPMZKFHRGLONR-RBACFQAWSA-N 472.680 4.530 10 10 JJCE CCc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 41017606 IXBRYHIVRYBYDY-UHFFFAOYSA-N 468.354 4.844 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)SC1=S 206718151 LQAWBZHTVQEDNY-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc(N)c2C1 383794862 XMLKRTPEHNXZJV-FCHUYYIVSA-N 462.638 4.520 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(N(C)C)cc1 526405902 CUKDHNDKHPPDAG-XMMPIXPASA-N 460.530 4.836 10 10 JJCE CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C1=O 1084433476 GPPQAUPELCVIMW-NDENLUEZSA-N 491.931 4.675 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c2nccn2C)cc1 1866450798 MGUCVJLCWSDGHV-AREMUKBSSA-N 493.567 4.639 10 10 JJCE CCCCN(C)C(=O)COc1cn(CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870949282 WAIQIVBKWVNPEA-UHFFFAOYSA-N 462.594 4.861 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080000856 ZWJNNLFSUBPRSG-GOSISDBHSA-N 486.350 4.747 10 10 JJCE CCN1CCc2cc([C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2106851378 SPONLTSGYUWRAC-LQGLAIQGSA-N 453.627 4.828 10 10 JJCE CCOc1c(Br)cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc1OC 2297349277 MFCXXBHDHQVCHS-UHFFFAOYSA-N 465.394 4.653 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1 2297453053 NVVBMNGZFRBVRR-UHFFFAOYSA-N 451.592 4.840 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414759 LMXQQOBTHNGPPM-UHFFFAOYSA-N 456.637 4.686 10 10 JJCE C[C@H]1CN(C(=O)CCN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)C[C@H](C)O1 2314487698 HUHSYLDNJHVBEU-ROUUACIJSA-N 488.675 4.625 10 10 JJCE CCc1nc(Br)c(Br)n1Cc1ccc(C)c(Br)c1O 2352664877 HQIGHOQGTNSSEV-UHFFFAOYSA-N 452.972 4.795 10 10 JJCE CCOC(=O)c1cccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2457256 SPJLMHPPGQTZHE-UHFFFAOYSA-N 469.497 4.796 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 9443626 OXBDEOPDFATWSM-INQVIGDZSA-N 453.614 4.845 10 10 JJCE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33525508 CZGQMOCUQFEQNZ-XDHOZWIPSA-N 480.615 4.742 10 10 JJCE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990083 QGUJMPIHKBEHIO-YQODDJSKSA-N 496.658 4.669 10 10 JJCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066715 QNQPJZOFVJZXJV-HMAPJEAMSA-N 494.686 4.950 10 10 JJCE COc1ccc(OC)c(-c2c3c(nc4sc(C(=O)Oc5ccccc5)c(N)c24)CCN(C)C3)c1 40570285 JEZPZYWNWBVQNG-UHFFFAOYSA-N 475.570 4.770 10 10 JJCE O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC(=S)N1CCCc1ccccc1 208278427 YHXGJZCSYBVQTM-PTGBLXJZSA-N 475.639 4.905 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 210401512 NJAGEGJGQNENFX-AQTBWJFISA-N 472.588 4.654 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC(C)CC1 1705574559 HBYBCIZNSQZWLW-DEOSSOPVSA-N 468.649 4.546 10 10 JJCE COC(=O)c1c(NC(=O)Cc2cscn2)sc(C)c1-c1ccc(Br)cc1 1866132604 ZGRDOMUYAIXWOG-UHFFFAOYSA-N 451.367 4.910 10 10 JJCE CCCCCOc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676897 SSZYXTUQSUFAAJ-UHFFFAOYSA-N 455.643 4.794 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccccc4F)c4ccccc34)[C@H]21 1873862322 UVNSSHKCQLFITQ-SANMLTNESA-N 454.505 4.566 10 10 JJCE CC[C@@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 1881515907 ZTNLFUMPUBVRDU-KCWPFWIISA-N 452.643 4.530 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079037845 PYUHJQUXJMVMEW-AWEZNQCLSA-N 494.251 4.697 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CNCc2ccccc2)c2ccccc12 2296203755 HFIKYBCDMVMSNC-RUZDIDTESA-N 464.569 4.598 10 10 JJCE COCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 2297560905 FISUMEQSYODSPK-UHFFFAOYSA-N 494.978 4.683 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 2313548630 AISAYXZOPAZCOX-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F 2313558413 ZYNXWSICIHGVAD-UHFFFAOYSA-N 478.451 4.609 10 10 JJCE CCCCOC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314740519 KFKBTDHSSOKNQZ-UHFFFAOYSA-N 471.600 4.819 10 10 JJCE CN(C)c1ccc(/C=C/c2sc3ccc4ccccc4c3[n+]2CCCS(=O)(=O)O)cc1 20037575 MLUCJEACZUTJQC-UHFFFAOYSA-O 453.609 4.856 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 33456793 QSTGSUKXETWGAR-UFTGVOQFSA-N 496.548 4.890 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cc(C)c(C)cc3C)c(OC)c2)SC1=S 40937869 LCDOQUQVFUWKQW-LPYMAVHISA-N 485.627 4.964 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CNc3ccccc3Br)C2=O)cc(OC)c1OC 59382251 PACIDGLWYWQTAV-LICLKQGHSA-N 495.420 4.746 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1C 206297521 RHHYHPSPCNVTDT-DEDYPNTBSA-N 457.573 4.649 10 10 JJCE CCN(CC)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 226726849 JXUYRSJHQZUIRI-DQHZSEARSA-N 481.662 4.817 10 10 JJCE CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 250386458 KDDXNQZVEVSBOD-FHAGJXEFSA-N 454.592 4.878 10 10 JJCE CC(C)c1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1083972613 REIMNVATVKRYOG-UHFFFAOYSA-N 468.373 4.714 10 10 JJCE CCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873420947 ZLPVWFASQHRQHZ-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc4ccccc34)cc1C2=O 1873907806 USVSPLTUJHWKPY-UHFFFAOYSA-N 493.471 4.718 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079027109 OCPXOIHWGWJBNZ-KRWDZBQOSA-N 480.346 4.729 10 10 JJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079858779 VNTCOMZOCNABHX-CQSZACIVSA-N 482.240 4.669 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@@]2(C)C1 2172908328 FDPUUEQNPDEQOS-KPHUOKFYSA-N 459.812 4.933 10 10 JJCE CCN1CCc2cc([C@@H](O)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268750065 HLSDARNAMGPQHM-XMMPIXPASA-N 452.595 4.556 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OC 2314534138 ZHJDVQJDFZIJSI-UHFFFAOYSA-N 457.573 4.907 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314827894 ORLHHJIYJLZWSZ-UHFFFAOYSA-N 479.583 4.575 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1c1cccc2ccccc12 2332140975 ACUOJWDWTGXHHM-UHFFFAOYSA-N 469.375 4.868 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 2509111 GMERYKCHYREAAK-WUKNDPDISA-N 477.380 4.726 10 10 JJCE COc1cccc(OCCn2cc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)c1 34258117 LEAITDHECIOEOL-OQDPOPDBSA-N 458.543 4.896 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)o1 59134978 QEGWRIGHHGYRDO-BOPFTXTBSA-N 451.366 4.509 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCOCC3)nc12 208279482 YJIUXLPMEVTKHK-KGENOOAVSA-N 479.602 4.920 10 10 JJCE CCc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N(CC)CC)cc3)SC2=S)cc1 1860084941 AFRVJAWJOHJMSR-RCCKNPSSSA-N 454.617 4.902 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=S)NC)CC2)sc(C)c1-c1ccc(Cl)cc1 1860632911 LUEJKFIUDISCNG-UHFFFAOYSA-N 480.055 4.708 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2c(Cl)ccc(Cl)c2[nH]1 1866535439 XJKGQOUJCUZHLV-UHFFFAOYSA-N 463.276 4.863 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873166877 ZVUOMOSTFBDJGW-UHFFFAOYSA-N 471.601 4.697 10 10 JJCE CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649910 BPKJAOIJQCHBLN-UHFFFAOYSA-N 490.995 4.692 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)cc1C 2079983657 FDHPQKVUOCTGOF-HXUWFJFHSA-N 466.363 4.959 10 10 JJCE O=C1C(=Cc2cccc(Br)c2)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 2297321970 LUGOEFGYULYYQK-UHFFFAOYSA-N 450.339 4.628 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccs4)SC3=NC2=O)c1C 2297360348 PQZGWNLHTQSMSA-UHFFFAOYSA-N 461.572 4.832 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)cc(I)c1OC 2297366621 RUIBFXOTDSDCBD-UHFFFAOYSA-N 476.314 4.813 10 10 JJCE O=C1C(=Cc2cccs2)SC(=S)N1CNc1ccc(I)cc1 2313505996 BULKXRKJCHOPHL-UHFFFAOYSA-N 458.371 4.624 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1[N+](=O)[O-] 2313608931 ANJQBOZJRGZNAG-UHFFFAOYSA-N 451.323 4.777 10 10 JJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 2314522477 KTKNXSILSFDBBQ-UHFFFAOYSA-N 493.610 4.548 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314842148 BWRQNTJEALJGAW-SFHVURJKSA-N 451.525 4.512 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 33423902 FOLPNGLORVYIQB-JAIQZWGSSA-N 491.431 4.828 10 10 JJCE N=C1/C(=C\c2cccc(OCCOc3ccccc3Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 33436399 LSLBFHJSLHGQCA-ZBVAQKGLSA-N 494.882 4.979 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 59678440 JRAHJMLWTGZUHM-MTJSOVHGSA-N 491.931 4.675 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc(Br)c1OCC 59861524 AEYVTSPYTBLTKM-YBEGLDIGSA-N 489.322 4.762 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)ccc(N)c2C1 383794871 XMLKRTPEHNXZJV-YADHBBJMSA-N 462.638 4.520 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526568569 LZYFYCYSHRSLHS-DEOSSOPVSA-N 474.513 4.758 10 10 JJCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705811684 IPXKMXCEOHACLS-FPOVZHCZSA-N 469.655 4.577 10 10 JJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4cc(C)c(C)cc4OC)sc3C)ccc21 1859574465 OEESMMBOMFRUDM-UHFFFAOYSA-N 485.631 4.844 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nc2c(s1)CCCCC2 1860345061 QPQQWNDVFJJQID-UHFFFAOYSA-N 495.608 4.938 10 10 JJCE O=C(Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1)c1cccc(F)c1 1860504357 VEUMYZINEJHMLO-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCC[C@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867152911 AHCQUXIJQAULKS-FQEVSTJZSA-N 489.597 4.888 10 10 JJCE CCCC[C@H](NC(=O)/C=C(\C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868662107 BEXPGGGETNELSJ-BZNVDEBGSA-N 477.649 4.685 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccccc3Cl)CC2)cc1 1870435170 TYPWGEXUMWELHE-UHFFFAOYSA-N 496.051 4.916 10 10 JJCE CCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870551443 JIFVEQOBOSWRSF-UHFFFAOYSA-N 485.669 4.563 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873166523 RIWMSPGOOZWDRM-PUZWTLIVSA-N 461.606 4.521 10 10 JJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)SC1=Cc1cccc(O)c1 2293394476 FPVVPAGWXCVNDW-UHFFFAOYSA-N 455.583 4.770 10 10 JJCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1 2296701634 PPYDWJPOFVMIFX-OAQYLSRUSA-N 481.595 4.694 10 10 JJCE CCN1C(=O)C(=Cc2cc(C)n(C3CCCCC3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508834 ONBFQEVDRRBWGE-UHFFFAOYSA-N 497.661 4.538 10 10 JJCE CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 2313541783 ZDKNQSCAHWAPLO-UHFFFAOYSA-N 489.597 4.505 10 10 JJCE CCCCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 2313556167 PKQRJKVQHYJILD-UHFFFAOYSA-N 485.540 4.832 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC3CCCC3)nc12 2314413928 LUVTXYXYRQIPKH-UHFFFAOYSA-N 494.617 4.898 10 10 JJCE CCCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641605 GMTXSQZUGSGXIO-UHFFFAOYSA-N 470.529 4.807 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238779 NODOJWWLLVBXGE-SPXSAIPKSA-N 487.497 4.839 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)c4ccccc4n3)CC2)cc1 23432731 MXZRSDKGFUGQMG-OYRHEFFESA-N 458.606 4.688 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 34387092 ZTAMDRVTGLTOKN-ISLYRVAYSA-N 489.416 4.596 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)sc2c1 208742676 GKMVTUAJSUBKJG-RQZCQDPDSA-N 473.576 4.674 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C(C)=O)c2)[C@@H]1c1ccc(O)c(O)c1 526439471 WHNMCNUZGQGTRM-XMMPIXPASA-N 475.497 4.765 10 10 JJCE Cc1cccc(-c2ccc3[nH]cc(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)c(=O)c3c2)c1 1866475323 WHQREHMCFKWLAE-MHZLTWQESA-N 491.595 4.822 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329892 SEVGJFMDXYNILJ-SXOMAYOGSA-N 478.681 4.693 10 10 JJCE O=C(Cn1ccc2c(Br)cccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179694 LDIILVQEXHLYIO-UHFFFAOYSA-N 459.299 4.818 10 10 JJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Br)cc1Cl 1891687384 WUFDWFTZGOZQNF-YOEHRIQHSA-N 455.805 4.570 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1nc2ccccc2s1 2042453388 GOUNHGAMJQJAHA-UHFFFAOYSA-N 477.539 4.738 10 10 JJCE C[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Cl)cc(Br)c2O)[nH]1 2138332001 RCALAMXLSICBTO-SECBINFHSA-N 462.797 4.884 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2293449690 BNBGDBMJJWNNMT-UHFFFAOYSA-N 478.888 4.752 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(Cc2ccc(Cl)cc2)C1=O 2297305820 RQGOUZQOWIZOKS-UHFFFAOYSA-N 465.781 4.826 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(C)cc1 2297344993 DWVYIXYIRQBQLZ-UHFFFAOYSA-N 452.561 4.522 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccco1 2297366924 CQEULQZLZDSYKJ-UHFFFAOYSA-N 467.524 4.922 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)cc1 2297531920 HCVQVQWKSKJUSO-UHFFFAOYSA-N 466.378 4.573 10 10 JJCE O=C(O)c1ccc(CN2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)SC2=S)cc1 2323852190 PBLHAXIPNHTFSM-UHFFFAOYSA-N 484.780 4.908 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)C(=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 2332134214 XZZIHOKLDMEQGN-UHFFFAOYSA-N 456.498 4.573 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(=O)O 2381820 MRXSCGOGYSXJAB-LGMDPLHJSA-N 460.602 4.847 10 10 JJCE COc1ccccc1NC[C@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 13572799 ZNRSYRVKMKUKES-NAZSJVEXSA-N 480.568 4.929 10 10 JJCE Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c1 34877305 SUSDWUIDQQUBBH-ZSOIEALJSA-N 451.323 4.777 10 10 JJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990157 MMHMOHWMFZHTOV-JXNDXORPSA-N 486.707 4.920 10 10 JJCE O=C1N=C(O)/C(=C\c2cccc(I)c2)C(=O)N1c1cccc2ccccc12 59860129 TYQGWKPTBQKHBE-SFQUDFHCSA-N 468.250 4.951 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526332991 LJPMOLZUVVQDJG-QFIPXVFZSA-N 450.878 4.767 10 10 JJCE CCCCN(C)C(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586717298 JPCKSTMKZRFNJY-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 1084475015 HKBADPHQMJOBHS-RGEXLXHISA-N 478.346 4.865 10 10 JJCE CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858592540 RVCNNHISEDTMPB-UOBPLZBXSA-N 457.573 4.729 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2F)sc(C)c1-c1ccc(C)c(C)c1 1860748958 QBQWHBPHSGGKDL-UHFFFAOYSA-N 458.486 4.982 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079954847 RRNQVNXTPRZNBB-IBGZPJMESA-N 482.362 4.939 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 2314936115 VLABPVUCAUIGCF-UHFFFAOYSA-N 492.525 4.606 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141029 CRHGEPISMIMHAL-UHFFFAOYSA-N 471.469 4.518 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C(C)C)cs4)cs3)CC2)cc1 33297727 FTIMXCWCQBUFPW-UHFFFAOYSA-N 463.650 4.515 10 10 JJCE Cc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2cccc(C)c2)cc1 34683967 OXWAQHJSQFMLRY-UHFFFAOYSA-N 450.604 4.869 10 10 JJCE COc1ccc(-n2c(C)c(C(=O)c3cc(OC)ccc3OC)c3c(CN(C)C)c(O)ccc32)cc1 96568888 FTDZAKDFTHOSQD-UHFFFAOYSA-N 474.557 4.963 10 10 JJCE C[C@H]1CCCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)C1 917636480 GLJNUCSQNRKSSO-NBGIEHNGSA-N 487.604 4.704 10 10 JJCE Cc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1NS(C)(=O)=O 920761303 GAIFEOVACHGMMP-QFIPXVFZSA-N 477.546 4.526 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)cc1 1860210027 RYYWDNKVFLDMRJ-UHFFFAOYSA-N 477.508 4.609 10 10 JJCE COc1ccc(C)cc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344954 KACACBZHPHIXJF-UHFFFAOYSA-N 478.552 4.920 10 10 JJCE Cc1ccc(C(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860827033 OPCZOZCKSBLLSN-LPYMAVHISA-N 478.595 4.899 10 10 JJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1 1865666707 TWMURXZWWNYQTM-QPEQYQDCSA-N 471.229 4.520 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CC(C)C)CC2)cc1 1870626105 HRAAPWOQVSBQDO-UHFFFAOYSA-N 475.633 4.723 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(c2ccccc2Cl)C1=O 2053493213 FKCFMFYDCPNFCE-UHFFFAOYSA-N 451.754 4.831 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080047271 BRHIXHPNMLLNEX-HNNXBMFYSA-N 478.277 4.780 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2080048301 QKZBPMXHQJTWSB-LLVKDONJSA-N 464.250 4.534 10 10 JJCE CCCN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N(C)C)cc1 2106850170 FUORMPROGFEJEW-VWLOTQADSA-N 454.659 4.820 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1OC 2293644711 PCIBEHIBHQJGBQ-UHFFFAOYSA-N 494.573 4.581 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1cc(Br)ccc1OC 2297309739 APCRSWFJRRMCMO-UHFFFAOYSA-N 472.335 4.734 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2313549051 MAJWUWDNPIBXQA-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(I)o3)C(=O)N(c3ccccc3)C2=O)cc1 2313560150 LBVGYFLEJVSGFU-UHFFFAOYSA-N 498.276 4.776 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1ccc(Br)cc1 2314764554 GGFHZABVTIGEDH-UHFFFAOYSA-N 498.221 4.758 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(Br)c2O)[C@H]1C(F)(F)F 2370310022 MEFNRHSEZDLODU-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc(Cl)cc1 15037563 IMMYGQOZOAKJJO-YBEGLDIGSA-N 453.372 4.929 10 10 JJCE O=C(O)COc1ccc(/C=C2/SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)cc1 16906625 KSKGZCBGLOWYAA-VIZOYTHASA-N 456.829 4.905 10 10 JJCE C[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781660 XVXYTXDNDIESNX-ZHTGWBIJSA-N 494.617 4.614 10 10 JJCE C/C(=C1/SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)c1ccc(Br)cc1 39861783 ZLCNCQXEBYTNET-DHDCSXOGSA-N 478.345 4.641 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=S 40928573 OOSJKNUUFNVPBR-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2c(Cl)cccc2Cl)N3)CC1 226854481 KEQMGSLSEAZXFF-DGGJZMOXSA-N 478.445 4.756 10 10 JJCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 729278718 STSHJUAKQOBVKC-YJYMSZOUSA-N 453.366 4.730 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)c2)CC1 1585113852 LUVMEIDIBMMDHV-UHFFFAOYSA-N 451.473 4.678 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016282 LIPPXHXPUCTPPD-SBUREZEXSA-N 496.567 4.553 10 10 JJCE C[C@@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(Cc2ccccc2)n1 1868209290 VAHRLJFFCLGEOZ-LJQANCHMSA-N 490.563 4.812 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3Cc3ccco3)CC2)cc1 1870770303 FRLNXJSTTGNBDC-UHFFFAOYSA-N 499.611 4.708 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418338 DNWNVTUBMJCSLB-UHFFFAOYSA-N 488.551 4.758 10 10 JJCE Cc1cc(Cl)ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421243 NMKQQMIMXYWJRR-UHFFFAOYSA-N 477.008 4.810 10 10 JJCE Cc1cc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)ccc1Cl 2293279602 LFDONLAMOIDFNS-UHFFFAOYSA-N 476.916 4.773 10 10 JJCE N=C1C(=Cc2ccc(O)c(Br)c2)C(=O)N=C2SN=C(SCc3ccccc3)N12 2293500587 PTOACUDBFYCCJW-UHFFFAOYSA-N 473.377 4.665 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Sc3ccccc3)nc12 2296707731 BXMAJOFIWHGJLQ-INIZCTEOSA-N 495.651 4.534 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)S2)CC1 2296713750 WZLDMQSUFQQCNV-UHFFFAOYSA-N 486.597 4.785 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 2297347464 SKXNWBGURNXVSY-UHFFFAOYSA-N 481.936 4.955 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)cc(Br)c3O)C2=O)cc1 2297349564 RPISDNODMZBWLI-UHFFFAOYSA-N 481.755 4.792 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1c(F)cccc1Cl 2297506246 JWPDRAJXMOHEGX-UHFFFAOYSA-N 471.916 4.857 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 2314769994 XSIRKRPVVXSDLX-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1OC 2323679919 MWYQOVMNNKFQQF-QGZVFWFLSA-N 473.572 4.607 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 20236486 LWOHNVUVJLAEMX-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)cc1 33397627 OBRIADJSXCKUMU-KGENOOAVSA-N 468.538 4.895 10 10 JJCE O=C1/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1C[C@H]1CCCO1 33699555 YYHGEHOCACUDHT-ZBBYCGENSA-N 471.003 4.637 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066469 CDUASSWCVJMXGU-BKUYFWCQSA-N 496.658 4.670 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 47133642 DLBBRNPMVBOPHN-WJDWOHSUSA-N 470.601 4.645 10 10 JJCE CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 53363781 ZMOPZNPOFKJOMV-ZEQKJWHPSA-N 460.530 4.809 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 97575179 MACGOLQKPIZNRF-WOJGMQOQSA-N 476.048 4.833 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C\c3cccnc3)S2)cc1 206382303 JYEANYSZCZKVQD-DGEAWOGYSA-N 453.571 4.969 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S)c1ccc(OCc2ccccc2)cc1 210395899 UBRXIMALMRPWKP-STZFKDTASA-N 490.562 4.510 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc2ncccc12 1860343935 PNEGMOQBZCIZMB-UHFFFAOYSA-N 471.520 4.761 10 10 JJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420185 ITNFHYZXTBLBAX-UHFFFAOYSA-N 485.584 4.914 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1 2293976860 UWBWMOPHVDSZRH-UHFFFAOYSA-N 461.543 4.783 10 10 JJCE COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1OC 2296050415 OKGXVGMWQUJPKV-UHFFFAOYSA-N 469.371 4.557 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 2297470021 DUIQVSZZBGMGBM-UHFFFAOYSA-N 451.552 4.531 10 10 JJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2318684227 VMFFXTODRQJALS-JMCQJSRRSA-N 464.790 4.509 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 2323880151 WZRJJLVCESLPIW-HXUWFJFHSA-N 486.659 4.997 10 10 JJCE Cc1ccc(CN(C)Cc2sccc2I)c(O)c1Br 2352944212 DWSLGPJSMFCXOS-UHFFFAOYSA-N 452.155 4.761 10 10 JJCE CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 6574318 CVTQKCDIBKMDNC-DEDYPNTBSA-N 454.573 4.598 10 10 JJCE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1O)Nc1ccccc1-3 21524941 TVGSQUVMUURIKR-QFIPXVFZSA-N 484.943 4.569 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33489174 HSODMLLZDMFASY-WOJGMQOQSA-N 456.637 4.603 10 10 JJCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989785 RJDDWXWDPRCSMI-SKZDGECLSA-N 496.658 4.525 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526190159 IJEPVPJWXHXGAF-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](COCc2ccccc2)[C@H](O)[C@H]1OCc1ccccc1 1857789569 HEPLJHDCXLLGPB-IRGGMKSGSA-N 475.545 4.770 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869097785 ADNCTVNBITXLHU-RUZDIDTESA-N 473.621 4.513 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164225 RKRAIPGVZWAXMB-UHFFFAOYSA-N 468.582 4.621 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCOC(C)C)C2=O)cc1 1873169697 FSUFZSPWWIIRHV-CYFREDJKSA-N 463.622 4.767 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420145 HITWDENXKDFHTC-UHFFFAOYSA-N 486.616 4.777 10 10 JJCE COc1ccc([C@@H](C)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1942703739 IUNQRRFNKJAAIN-GOSISDBHSA-N 462.546 4.912 10 10 JJCE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079007781 YYWDQDBMIMQTDY-KRWDZBQOSA-N 454.308 4.713 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079874441 FEEJEEWAXKRFIT-CQSZACIVSA-N 494.276 4.562 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2124540589 JOCRCIMBVIHWHO-YKSBVNFPSA-N 457.575 4.522 10 10 JJCE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 2140776796 KNFXIKVZRCAGRA-GOSISDBHSA-N 464.651 4.601 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1Cl 2294118728 VICPOKTXUUMOQD-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1nc(-c2ccccc2)cs1 2296881574 PDRDSKFWEQJUHF-UHFFFAOYSA-N 455.561 4.789 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)c1 2321582920 BRQFGLGQUOZLOE-UHFFFAOYSA-N 454.312 4.796 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)N(CC)CC 2332139665 FYWXTPMTWMGNTR-UHFFFAOYSA-N 469.969 4.792 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2ccc(Br)cc2O)[nH]1 2362647936 NDRNCSIVRGUOOI-INIZCTEOSA-N 456.406 4.867 10 10 JJCE CC1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 9642052 COAZYEQXLYKDGS-UHFFFAOYSA-N 496.567 4.831 10 10 JJCE O=C(NCCCN1CCOCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1 20902499 YEDHVMPMGJJTQQ-UHFFFAOYSA-N 457.618 4.865 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526282921 QCYFRDGFALGCFF-VWLOTQADSA-N 470.529 4.703 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526469558 UMYCLAPRXHUXBC-VWLOTQADSA-N 488.540 4.614 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)cc1F 687755125 MBEAXQHFDOUEAK-RUZDIDTESA-N 453.441 4.899 10 10 JJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705525857 WWYCGEPPEYDQEG-HSZRJFAPSA-N 472.637 4.507 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858591606 UKBWGUDLRHCWAM-GUNGLEHYSA-N 484.780 4.835 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)N(C)C)cc1 1858593932 DXCRZPRTDAPXBT-YVABFXQFSA-N 481.643 4.700 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cccc21 1860606203 OQDHLASZKFWLGM-UHFFFAOYSA-N 490.918 4.745 10 10 JJCE CC[C@H](C(=O)OC(C)C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827187 UPJQZOVEKGDJOK-MIQLPHMESA-N 474.604 4.610 10 10 JJCE CCCCOC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827443 YKKKHNUOAZAPGR-SJPXOZHESA-N 474.604 4.612 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1867862481 LLIPXLPMBHFKCL-AREMUKBSSA-N 492.708 4.902 10 10 JJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873164749 QFKLJYXIZGASIQ-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE COCCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420811 WGMUEZLUJDENIY-UHFFFAOYSA-N 484.600 4.533 10 10 JJCE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccccc1 1874180524 CHELOFMOSYXYPP-RUZDIDTESA-N 460.489 4.572 10 10 JJCE CC(C)(C)OC(=O)N[C@H](c1cc(Br)cc(Br)c1O)C(C)(C)C(=O)O 1951873683 VJWKMRBTYKPNLD-GFCCVEGCSA-N 467.154 4.594 10 10 JJCE COc1cc(Cl)cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952944503 CSOOPOYJISGOAM-HFZDXXHNSA-N 479.916 4.893 10 10 JJCE CC1(c2c(C3CC3)nn(Cc3c(O)cccc3Br)c2I)CC1 2079736906 HOGSBWTTWLUADE-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 2293175887 WHBLEHVMJGQRTL-UHFFFAOYSA-N 476.916 4.902 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 2294400605 SKNGTYBHKPWKBP-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccccc1C(=O)O 2295934190 CIFOLZZFMMWRKW-UHFFFAOYSA-N 460.964 4.658 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296703396 DEOVYKDJVFGFDP-UHFFFAOYSA-N 486.018 4.697 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCC3)C2=O)CC1 2314414034 OEHJGWMSYCMERM-UHFFFAOYSA-N 468.648 4.829 10 10 JJCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 2314740976 QESMXAXNXKLNQR-MRXNPFEDSA-N 471.600 4.735 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314842147 BWRQNTJEALJGAW-GOSISDBHSA-N 451.525 4.512 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc([N+](=O)[O-])c1O 2321672255 VBQLSVKNZKKCNR-UHFFFAOYSA-N 456.423 4.734 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(Cl)cc1 15035507 WUSNMBURDBKKIB-NVNXTCNLSA-N 483.796 4.648 10 10 JJCE COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCCCC1 28454091 LEGICNNVCSCZPC-UHFFFAOYSA-N 467.591 4.530 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 33373188 OZDJISKZJCGJKX-HMMYKYKNSA-N 456.589 4.801 10 10 JJCE CC(C)CC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 102465800 VCQVWHGCZUQCGZ-ONWPUYBOSA-N 493.545 4.718 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526542226 PRGITCGPHRPLCO-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)c(C)s2)c(C)c1 1859572685 ZNSAAGOUUIFOJK-UHFFFAOYSA-N 455.605 4.790 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccc2cc[nH]c2c1 1860570630 MASPCUBGIVDDFQ-UHFFFAOYSA-N 486.487 4.843 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4Cc4ccc(Cl)cc4)nc(C)n3)CC2)cc1 1869290325 QYKMVDDYBZGSPJ-XMMPIXPASA-N 478.040 4.985 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873164207 QWSPEIZMAZHFPE-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873164210 QZMKSECAZSTKJQ-KBMIEXCESA-N 468.601 4.938 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccccc3C)n4CC(C)C)CC2)cc1 1873650259 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CCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 2313561072 SKZGGGWMHAGJJV-UHFFFAOYSA-N 465.303 4.667 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 2314508279 OIGWBGHWHRFNJA-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 1252308 FHAVOCNGRNMOKU-LICLKQGHSA-N 450.944 4.718 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 40888528 DTDQPHLSVWOSCY-STZFKDTASA-N 471.600 4.737 10 10 JJCE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270626 OTXXEEAKXGHMJH-GKXUUXLPSA-N 490.610 4.733 10 10 JJCE CCCCCOc1ccc(-c2nc3sc(=Cc4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 254513881 MONHLCUSMRKGLG-UHFFFAOYSA-N 462.619 4.781 10 10 JJCE CCCCCCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 261362137 CGVKEOIMSPBQMJ-RUZDIDTESA-O 478.642 4.789 10 10 JJCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c(C)c1 727245145 DIWUCXNCWUYUPJ-UHFFFAOYSA-N 468.503 4.616 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Cn2ccccc2=O)o1 1087055197 NBXGGSBHQAKLKP-HHHXNRCGSA-N 450.494 4.868 10 10 JJCE Cc1noc(C)c1Cc1nc(-c2ccc(CS(=O)(=O)Cc3ccc(N)cc3)cc2)cs1 1857849831 KQDADLXHQYWTEI-UHFFFAOYSA-N 453.589 4.703 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OCC 1858590884 MWRNDZGBVOZAMR-DEDYPNTBSA-N 457.573 4.974 10 10 JJCE CCOC(=O)CCCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866185979 FFNKTNFBZMEFQU-UHFFFAOYSA-N 468.369 4.945 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccccc5C4)nc(C(C)(C)C)n3)CC2)cc1 1867967302 MTKFWVRVNNCJPK-UHFFFAOYSA-N 457.622 4.672 10 10 JJCE CC(C)(C)OC(=O)NCC1(NCc2cc(Cl)ccc2O)CCN(Cc2ccccc2)CC1 2067210537 TYJGCDSEMDTTNY-UHFFFAOYSA-N 460.018 4.695 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080054609 SIVMTOHFMJKPRG-INIZCTEOSA-N 484.334 4.587 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)CC)C1=O 2296846641 JTSBVYHRDGBGKZ-MRXNPFEDSA-N 458.653 4.629 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 2296882413 UCQNUKRINIYHNW-UHFFFAOYSA-N 460.602 4.847 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2296935880 MJGMSPZBSGZFBC-UHFFFAOYSA-N 457.436 4.634 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nccs1 2297477618 HOYPZVHUPAJYNE-UHFFFAOYSA-N 483.596 4.575 10 10 JJCE CC(C)CN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2314504505 WZGILCQCEUISGZ-UHFFFAOYSA-N 471.991 4.997 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2314650728 ZDBFRRSSTSLYSN-FQEVSTJZSA-N 479.535 4.760 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314837786 WSIKDZBACWQTNF-NSHDSACASA-N 452.479 4.639 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)N(C)C)cc1 2323879991 DXCRZPRTDAPXBT-QFIPXVFZSA-N 481.643 4.700 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127267 GMUDCMWVDFBCPL-UHFFFAOYSA-N 460.917 4.950 10 10 JJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071355 DHWMBGRZPZNBEO-LVXARBLLSA-N 462.502 4.669 10 10 JJCE CCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)N(c2ccccc2)C1=S 33333143 XADHFYWICKRSFZ-JWGURIENSA-N 458.587 4.751 10 10 JJCE CCCOc1ccccc1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 33423561 IRHKKEWVHZSVAV-HKWRFOASSA-N 465.600 4.679 10 10 JJCE O=C(COc1cccc(NC(=O)c2ccccc2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 39891120 PHSNWXFSMIPTJX-UHFFFAOYSA-N 476.488 4.732 10 10 JJCE Cc1cccc(Oc2cc(N)c3c(c2N)C(=O)c2c(N)cc(Oc4cccc(C)c4)c(N)c2C3=O)c1 59301117 PDNAIMDNCPXJGL-UHFFFAOYSA-N 480.524 4.992 10 10 JJCE Cc1ccc(-n2nc(C)c3sc(N4CCC[C@@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nc32)cc1 65081023 HDRRFZWEJWUGOJ-OAQYLSRUSA-N 488.661 4.698 10 10 JJCE COc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 100309727 GVYMLRSTYIYYSB-BOPFTXTBSA-N 462.453 4.965 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)N[C@@H](C)c3ccccc3NS(C)(=O)=O)c2C)cc1 108599867 MEPXLDGPLZEJMR-RYBIEJRYSA-N 451.592 4.665 10 10 JJCE CCOc1ccc(Nc2oc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)nc2C#N)cc1 212499339 MRSXXBNTIKGKQL-YVLHZVERSA-N 452.517 4.683 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)cc2)CC1 257630398 GHZYGSZTCJDDAF-UHFFFAOYSA-N 476.598 4.633 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccc(O)c(O)c1 526366620 DIGCDTAQWSHDEN-XMMPIXPASA-N 476.529 4.628 10 10 JJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 727402249 GEPXVRPXXUPRKE-UHFFFAOYSA-N 484.394 4.793 10 10 JJCE C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866987890 FNEYUUPZKNELJT-WNSKOXEYSA-N 486.955 4.752 10 10 JJCE Cc1ccc(OCCOc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871215023 QYHPPQHYMHKNRY-UHFFFAOYSA-N 485.584 4.963 10 10 JJCE CCN(CC)CCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871265676 SCNXIQXIFQFQKW-UHFFFAOYSA-N 478.637 4.697 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873166000 ZVPFBIMLXFFECF-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2C)cc1 1874187996 OLHXABCZJYMBEY-UHFFFAOYSA-N 482.587 4.612 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)CC2)cc1 1874727081 OLKZVQRMJWSBGW-UHFFFAOYSA-N 479.527 4.621 10 10 JJCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2106868906 ZGSJWPLPOANJKW-UKDVSSAZSA-N 453.627 4.828 10 10 JJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2294581288 AVJOGAYBBSNEKY-UHFFFAOYSA-N 459.889 4.598 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 2313560630 AKLCOVDVSWKDGI-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)sc2c1 2314563176 PMEFLCBYKIPVCR-UHFFFAOYSA-N 469.613 4.843 10 10 JJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105257 MQEQKJJCIGRATI-UHFFFAOYSA-N 498.023 4.642 10 10 JJCE COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1Cl 1010386 SPNGUHNQYQAWRL-UHFFFAOYSA-N 472.910 4.793 10 10 JJCE CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 40940467 YGWVGCLINXPESA-SFQUDFHCSA-N 477.405 4.784 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)NCc1ccccc1 210689147 STYMUBBDVMMQKM-HZHRSRAPSA-N 474.607 4.783 10 10 JJCE Cc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 210753171 PWKKWGSQJDBODW-KNTRCKAVSA-N 462.637 4.518 10 10 JJCE O=C(Nc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)[C@H]1CCCO1 917636575 CLOHCWKFGIIORO-DNQXCXABSA-N 483.528 4.964 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)C)C1 1760579697 UAUAXQKETXFMIG-HSZRJFAPSA-N 462.642 4.703 10 10 JJCE CCN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccccc3)n2)CC1 1859832670 FXCYUTZAOKYBJA-UHFFFAOYSA-N 489.579 4.805 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)sc(C)c1-c1ccccc1 1866269267 DPHUHTHETSLIGJ-UHFFFAOYSA-N 495.944 4.667 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)c(Cl)c4)c4c3CCC4)CC2)cc1 1867932356 CRIOTYCLYICQQO-UHFFFAOYSA-N 471.388 4.639 10 10 JJCE CCCOc1ccc(Cc2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1 1872798477 YCAOFGVQKRESPA-UHFFFAOYSA-N 484.600 4.914 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873168516 XUHPNAFGSUCCKK-UHFFFAOYSA-N 473.621 4.631 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873170110 OHLHTNTVQQOHOV-JOCHJYFZSA-N 471.601 4.951 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2078982668 VJCLROPBTRUAHT-AWEZNQCLSA-N 456.324 4.801 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079035418 DKDMOLAMNDHULI-ZDUSSCGKSA-N 482.240 4.553 10 10 JJCE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NCc2cc(Cl)cc(Br)c2O)C1 2182453393 ULHXYVBLOWYVDL-RTBURBONSA-N 463.775 4.779 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2313558516 CPDWBVHRPGMMGI-UHFFFAOYSA-N 471.307 4.680 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141433 XFLAELGEWGDZEX-UHFFFAOYSA-N 474.513 4.564 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 13343156 ODVWTYNMQJEVFQ-RGEXLXHISA-N 473.572 4.970 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 15038862 QLKOYJXCQOUZDL-RGEXLXHISA-N 481.624 4.952 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3CC)C2=O)ccc1OCCC(=O)O 16919609 AWXGTAXJINDNJQ-XSFVSMFZSA-N 457.573 4.907 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 33417559 YRSJMQDGXGEYAQ-LDADJPATSA-N 485.612 4.544 10 10 JJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)cc1 33926488 KTCHYVIBOHSNBC-HMAPJEAMSA-N 459.527 4.691 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc(F)cc1 210740363 ZCSVWAHCDLVKMV-XDHOZWIPSA-N 460.552 4.637 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@H]1c1ccc(N(C)C)cc1 526477675 LTEBZZZYVUDRLR-XMMPIXPASA-N 458.514 4.605 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)Nc2nncs2)C1=O 1081155576 XYCZGLZFQCNWMD-AYCYWLMJSA-N 458.634 4.885 10 10 JJCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]32CCC(=O)NCc2cccnc2)cc1 1614975400 ZMBNSMGNAGOMJJ-FKPPXMAGSA-N 492.708 4.670 10 10 JJCE [N-]=[N+]=NCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 1848439192 OJNZOISYSVGVPF-UHFFFAOYSA-N 472.457 4.789 10 10 JJCE C[C@H]1CCCC[C@H]1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344992 LYJKXLKORKMHDF-PGRDOPGGSA-N 454.574 4.659 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)c1 1860854816 MRXVHPISPNLRSV-UHFFFAOYSA-N 452.352 4.697 10 10 JJCE CCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866570505 DBDJIGHCTMXGHP-VWLOTQADSA-N 493.563 4.800 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866683090 UFGVNOOGZINRRH-IECKCJDVSA-N 466.537 4.571 10 10 JJCE CCCC[C@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868666520 OUGRNJNYIYLPAN-BZNVDEBGSA-N 493.648 4.521 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420255 WSLHCROPZXAXGQ-RUZDIDTESA-N 484.600 4.531 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079873169 LHFISIPKLONPDB-MRXNPFEDSA-N 459.287 4.864 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C=O)c1I 2080030636 PQVCFSRQMUOJNV-LBPRGKRZSA-N 452.214 4.641 10 10 JJCE CN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C 2106862539 VVLMBCKUWAYJKU-BJKOFHAPSA-N 453.627 4.830 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314650601 QWBHUZGDFPYXSM-ZDUSSCGKSA-N 486.354 4.773 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640969 BDCYMZFXXWALNS-IXFSTUDKSA-N 472.607 4.616 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 20681159 LHXUYGXJGVTVRO-JEBQKTDQSA-N 489.435 4.733 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 33526246 XFHGFTQJUKLETQ-OBGWFSINSA-N 456.637 4.831 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 72413184 WBSBSBJMBJGTHI-RUZDIDTESA-N 461.949 4.975 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21 250210660 LJRSBYDULWTWGI-PWDLFRTRSA-N 469.379 4.890 10 10 JJCE CCOC(=O)NC(=S)Nc1ccc(N=Nc2ccccc2)c(NC(=S)NC(=O)OCC)c1 254826873 APJMMIUTBCZEOH-UHFFFAOYSA-N 474.568 4.988 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526180034 YZFXEXGQHQIGPN-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526449679 ZNFGGQJLKMYWNC-RUZDIDTESA-N 477.513 4.879 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 526478636 HPNLIOBIEPMRFP-NRFANRHFSA-N 451.862 4.595 10 10 JJCE CCCS(=O)(=O)Nc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 920422550 CNQGNJCFGSVPIF-HSZRJFAPSA-N 491.573 4.998 10 10 JJCE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CNCc1ccc(N(C)C)cc1 1860716707 YKEKFORIRRKUMN-UHFFFAOYSA-N 490.604 4.531 10 10 JJCE CCCC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868997438 FDQUQKHPEVJZCG-CJFMBICVSA-N 486.056 4.866 10 10 JJCE CC[C@H](C)N1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170563 FUFJONBFLYLOOW-RHKCVOJBSA-N 491.632 4.542 10 10 JJCE C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016963 JCNJKMOCHFUORW-MRXNPFEDSA-N 493.515 4.853 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1OC 2318683846 JKPUBVCTGMKXAY-QGZVFWFLSA-N 473.572 4.607 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3cn(Cc4cc(OC)cc(OC)c4)c4ccccc34)CC2)cc1 9523834 RUYHMJNOIGRSIU-UHFFFAOYSA-N 499.611 4.607 10 10 JJCE CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 27572593 XNQHKMTZKMYWJT-OIYMOPNQSA-N 463.559 4.882 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 33828991 PMIVXNJCZYWMLV-GDNBJRDFSA-N 489.400 4.929 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4cccnc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 54201527 VLLJWUQDWMEMRY-ORLXONFSSA-N 483.597 4.978 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694629 PUVGYRNXJUYSCS-UHFFFAOYSA-N 468.960 4.919 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)NC2=S)cc1C 101539201 TVRPCJBSALBPEK-YZSQISJMSA-N 486.641 4.810 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 102683629 NKSINOVBGOHTIM-XNHPLOEXSA-N 478.643 4.923 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1SC[C@@H]1CCCO1 107981515 BQJKHGYSQFMEMG-IBGZPJMESA-N 480.552 4.743 10 10 JJCE COc1ccc(N2CCC(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)CC2)cc1 110361485 UBLIXKIAHYMZSJ-UHFFFAOYSA-N 478.902 4.952 10 10 JJCE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 383272361 OXRUKPFSTPHGFY-OAQYLSRUSA-N 450.627 4.520 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)Cc1ccc(Cl)cc1 1857997074 ZYXULOPMEYIJSP-UHFFFAOYSA-N 463.918 4.905 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)cn2)sc(C)c1-c1ccc(OCC)cc1 1860748259 VHIYCFCBASUPHF-UHFFFAOYSA-N 487.965 4.925 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2Cc2ccccc2)cc1 1862373637 DCOBVPSWDNDEDX-UHFFFAOYSA-N 482.584 4.578 10 10 JJCE CCOC(=O)COc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149936 XLAXDQMMUBEWCN-UHFFFAOYSA-N 499.567 4.900 10 10 JJCE CC[C@H](C)OC(=O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1873997883 SADQJWFFSGDXOS-INIZCTEOSA-N 466.493 4.922 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(F)c(C)c4)c3)CC2)cc1 1874720043 FTNLCMJQCFWCFA-UHFFFAOYSA-N 489.591 4.719 10 10 JJCE CN[C@H](c1ccc(N2CCCC2)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163150963 BOGIQUNBKADHCV-LEAFIULHSA-N 464.654 4.717 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(O)cc1 2454593 WUKZNSNBLCYGNQ-SFQUDFHCSA-N 477.405 4.775 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1O 14459680 HDFKNRIDOXPGAV-JXQFQVJHSA-N 454.592 4.792 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 14477533 XIHDQSZIXUWARO-GSHUGGBRSA-N 465.402 4.841 10 10 JJCE Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 20662745 KATZXUVMHFTSOJ-RISWYLRJSA-N 491.569 4.779 10 10 JJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(C(C)C)C3=O)cc2OC)cc1 33316181 TWQRGPVPGRDEOU-OFLNFLCBSA-N 469.584 4.932 10 10 JJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 40927988 RMHFUYVIMWLEDG-VXPUYCOJSA-N 460.621 4.528 10 10 JJCE CC1=NN(c2c(F)c(F)c(Br)c(F)c2F)C(=O)/C1=C\c1ccc(N(C)C)cc1 59367323 NPOILJJPRWDQRH-WQLSENKSSA-N 456.237 4.878 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226743359 CYLGDZYOSVDCTC-VHFRWLAGSA-N 477.605 4.519 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526213455 KHLJJISZGLARBR-XMMPIXPASA-N 477.513 4.961 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526432545 KOKBBZAYIKRVEE-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@@H]1c1ccc(N(C)C)cc1 526477674 LTEBZZZYVUDRLR-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(F)c1 1084028524 UNFMLYOPCPCTBB-BKUYFWCQSA-N 478.451 4.609 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCCCC2)cc1 1865965084 OQGLFFUORLQUMZ-HHHXNRCGSA-N 455.602 4.941 10 10 JJCE COC(=O)c1c(NC(=O)C2CCC(=O)CC2)sc(C)c1-c1ccc(Br)cc1 1865988772 YLZCORCATTVEQP-UHFFFAOYSA-N 450.354 4.970 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)C4CCCCC4)nc(-c4cccnc4)n3)CC2)cc1 1868001520 MEQMWYPKXPUBIO-UHFFFAOYSA-N 458.610 4.643 10 10 JJCE CCCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1872956544 NNWBWUWLJULJAA-UHFFFAOYSA-N 458.514 4.894 10 10 JJCE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1873550594 JKMPDHPMGZZRPY-UHFFFAOYSA-N 492.668 4.685 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079033317 SVJYZLUCETZYML-QGZVFWFLSA-N 454.352 4.681 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])c1 2124511879 HZZZQAGKSPJVOI-AWEZNQCLSA-N 471.299 4.553 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 2296885165 GUOBNOYZBZRIOP-UHFFFAOYSA-N 467.591 4.647 10 10 JJCE O=C1NC(=S)SC1=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 2297313043 ADZTWRKMGXBSCQ-UHFFFAOYSA-N 461.520 4.614 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)c1 2313549237 QOONLDCUQJLLFR-UHFFFAOYSA-N 450.878 4.628 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(Oc3ccc(F)cc3)nc12 2425927 JWKYUANLUTUZGF-GZTJUZNOSA-N 455.536 4.544 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1 9782026 VCHBJSRWPWHNEV-QHCPKHFHSA-N 474.948 4.575 10 10 JJCE O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467884 KUIPQBYSRUHPOM-IUTNIJSXSA-N 495.428 4.983 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O 15046487 FZRCDQRGHHUMLN-ZSAINHDTSA-N 466.506 4.942 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3c(C)cc(C)cc3C)ccc21 20729348 KYSVQWDRWLFPCU-UHFFFAOYSA-N 480.722 4.916 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152283 JAXJVLLLSCEOKD-RGEXLXHISA-N 471.560 4.701 10 10 JJCE CCCCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OCCOC)c1C 102936933 LGMNYJAVFMVGIT-CYVLTUHYSA-N 499.589 4.535 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 206466814 WXKWSJFPVBXFCA-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 1858594385 XASWYALFFSHHBS-KWJZBXMYSA-N 472.632 4.607 10 10 JJCE COC(=O)c1c(NC(=O)/C=C/c2cnc(N(C)C)nc2)sc(C)c1-c1ccc(C)c(C)c1 1866153169 QDFFSBIYAQHHOQ-CSKARUKUSA-N 450.564 4.635 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426042 SIWAPZXGUJIHTF-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 2293355596 RPOHJUZDHXYAKW-IBGZPJMESA-N 488.506 4.965 10 10 JJCE O=C1C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296727026 HTMKFKPLRVUDMP-UHFFFAOYSA-N 484.606 4.708 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3cccc(Br)c3)C2=O)cc(OC)c1OC 2313503061 ITLALLARODHZHA-UHFFFAOYSA-N 495.420 4.746 10 10 JJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314837169 PDAJNOYWNPQUDG-GFCCVEGCSA-N 451.400 4.900 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3nc4ccccc4s3)C2=O)cc1 2314913626 HYMDKMIZYUSPFA-UHFFFAOYSA-N 467.641 4.555 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)o1 17921231 ORLGUKDSZPGBBJ-CYPXAJCBSA-N 473.470 4.531 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1 20210734 LBSSVIWHYFQVKK-HVFYXHJKSA-N 459.506 4.683 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 33664576 DKKLRRUCMOQNHM-GRSHGNNSSA-N 467.430 4.719 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 39983397 KNYSFJIGEBZJHR-QURGRASLSA-N 479.627 4.660 10 10 JJCE COc1ccc(Nc2oc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)nc2C#N)cc1 95546050 JUNQQBVEPMPFLN-ZDLGFXPLSA-N 466.519 4.839 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 101350845 ZCPVEOPOWIYIKC-JWGURIENSA-N 476.558 4.523 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226694990 RTGWGBLORGYGOY-YVMWEGPTSA-N 470.591 4.524 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)c3ccccc3)c3ccccc23)SC1=S 1860826151 BJXQTDJLQHWKHC-FYJGNVAPSA-N 464.568 4.590 10 10 JJCE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1868167338 BCHSDXYNKJQMRD-UHFFFAOYSA-N 475.566 4.562 10 10 JJCE CCN(CC)CCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164046 JMLFRLUHYSFNOB-UHFFFAOYSA-N 484.644 4.696 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873165266 FKXPPQZDXDAGGP-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE COc1ccc(CCN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166551 CNEWRPYIIWUTBI-UHFFFAOYSA-N 471.601 4.671 10 10 JJCE CCN1CCc2cc([C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1952199904 RNVZVYYMXSUSFZ-MUUNZHRXSA-N 456.542 4.908 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)cc1C 2080054457 QJLIJCGQSYNIGM-MRXNPFEDSA-N 460.262 4.950 10 10 JJCE CN(C)c1ccc([C@@](C)(CO)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 2227134078 XZKTWZGCYHRGEO-SSEXGKCCSA-N 485.628 4.527 10 10 JJCE O=C(Oc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 2296727531 KSCSVSNGVQMGLE-SFHVURJKSA-N 459.976 4.939 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12 2297359518 ZWBMYQHRHYJZFG-VWLOTQADSA-N 476.580 4.871 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N2O1 2297499483 HUVMYYVFSMWVQM-UHFFFAOYSA-N 456.271 4.618 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 2297511377 GHINTHQTLKEYCP-UHFFFAOYSA-N 494.745 4.695 10 10 JJCE O=C1C(=Cc2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(N2CCOCC2)cc1 2318753300 ALMBLBJEETYQAQ-UHFFFAOYSA-N 450.507 4.948 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc(OC)c1OC 2321647060 BMWYHQHKHYJWHI-UHFFFAOYSA-N 453.541 4.977 10 10 JJCE 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CN(C)c1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1 34988905 XGJDBZCWQHKFDJ-UHFFFAOYSA-N 452.352 4.797 10 10 JJCE COc1ccc(CN2C(=O)/C(=C/c3nc(C#N)c(Nc4ccc(OC)cc4)o3)SC2=S)cc1 213145348 KGDDISPBDIIMQH-ODLFYWEKSA-N 478.555 4.708 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526621770 BSZXGNHOIIBOIG-MHZLTWQESA-N 486.568 4.924 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 1084327825 LGNNETHOLZHMSE-QNGOZBTKSA-N 453.564 4.815 10 10 JJCE COc1ccc(-c2nc(=Nc3cccc4c3C(=O)c3ccccc3C4=O)c3c([nH]2)CCCC3)cc1 1859832827 OGIXHHURLVWPSC-UHFFFAOYSA-N 461.521 4.972 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccc(C)c(C)c1 1860646004 JCUMVKZYLGIPEF-IBGZPJMESA-N 456.608 4.960 10 10 JJCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864013456 BMCFKVBSIOFPNT-DEOSSOPVSA-N 498.583 4.610 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868679893 BFULZIJIGADDHX-YTMVLYRLSA-N 491.676 4.685 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873166457 AAWOIHLMPDPBBV-UHFFFAOYSA-N 494.639 4.591 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079023947 WSHJCAUEYHIKJK-MRXNPFEDSA-N 468.335 4.585 10 10 JJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079952465 IWWWMWVUZCRFHO-KRWDZBQOSA-N 468.335 4.549 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1 2296928022 MWGNEJVATLLGOL-UHFFFAOYSA-N 471.944 4.878 10 10 JJCE COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(C=C2C(=O)N(c3ccccc3)N=C2C)c1 2297361786 BEVAIYQMBFJQQG-UHFFFAOYSA-N 462.527 4.577 10 10 JJCE CCCc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(c3ccccc3)C2=O)s1 2314489119 OBUOVSRRWBQMPX-UHFFFAOYSA-N 480.640 4.991 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 13640963 BDCYMZFXXWALNS-STSQHVNTSA-N 472.607 4.616 10 10 JJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 33431363 PPYDWJPOFVMIFX-FLWIAPQPSA-N 481.595 4.694 10 10 JJCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066427 GVLCJKKQNFXBCM-JAIQZWGSSA-N 466.632 4.518 10 10 JJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(CCCCC(=O)O)C3=O)cc2)cc1 210607936 AIOCXQBTMCAMGX-CRBDHTPASA-N 497.594 4.770 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 214758312 JAXJVLLLSCEOKD-XMHGGMMESA-N 471.560 4.701 10 10 JJCE CCOC(=O)N1CCC(NC(=O)/C=C/c2cc(C)n(-c3ccc(C(F)(F)F)cc3)c2C)CC1 1858130078 DNTRHOBACFPQQR-BJMVGYQFSA-N 463.500 4.863 10 10 JJCE CC(C)C[C@@H](C(=O)N1CCn2c3c(c4ccccc42)CCC[C@@H]31)N1C(=O)c2ccccc2C1=O 1858183502 FTCOQVZVRDBHSV-ZEQRLZLVSA-N 455.558 4.572 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 1860749005 SIIFDYCAUUJIHX-UHFFFAOYSA-N 487.921 4.957 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1865861511 FHSTWVGKONRBQT-FTJBHMTQSA-N 494.680 4.532 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCC(C)C)CC2)cc1 1870351899 VRWPGIXEDBKMJM-UHFFFAOYSA-N 455.643 4.650 10 10 JJCE CCCCOc1cn(CCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870661357 WGPUEMAASOOJFY-UHFFFAOYSA-N 475.633 4.601 10 10 JJCE CNC(=O)COc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871017865 ABXLHYCPWDFLLH-UHFFFAOYSA-N 482.584 4.686 10 10 JJCE CC(C)CCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871031282 CMIVTICTLUTWGV-NRFANRHFSA-N 493.604 4.553 10 10 JJCE CCc1ccc(C(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874758947 NQDUQYOKRUNBKL-UHFFFAOYSA-N 471.601 4.905 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2079988057 ZHAMMZZMBUBKSX-HNNXBMFYSA-N 468.335 4.864 10 10 JJCE CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261492 LYCKNDHKRTWNQW-FQEVSTJZSA-N 456.583 4.609 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Br)cc1 2297306548 CHDVILIGVIPEOM-UHFFFAOYSA-N 450.379 4.916 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1I 2297511665 XFTXCCCWFXNVFF-UHFFFAOYSA-N 482.119 4.772 10 10 JJCE CN1C(=O)C(=Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)SC1=S 2297580230 GXZOBTCNWJYOOO-UHFFFAOYSA-N 455.992 4.625 10 10 JJCE COc1cccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2)c1 2977296 ZJHZYUSEEVBJMX-CLJVFQDKSA-N 498.564 4.820 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 14546691 GSEYBZMRYKZRPA-DMPWYTOCSA-N 465.402 4.841 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3cccc(F)c3)CC2)cc1 20289469 HQMLFIBECLEWKO-UUOWRZLLSA-N 453.583 4.578 10 10 JJCE Cc1cccc(C(=O)Oc2cccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)c1 33457031 RWOJDDFKHUGJIX-FJVWWGQZSA-N 496.548 4.912 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Oc4cccc5ccccc45)c3[N+](=O)[O-])CC2)cc1 40583415 FNFLYRHFWBLXPG-UHFFFAOYSA-N 457.490 4.666 10 10 JJCE CC(C)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 103494412 IZTRJECUJRDMMZ-KBFOAYOGSA-N 488.323 4.892 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226644452 GYLJOGKKEFABSV-YZIHRLCOSA-N 479.621 4.611 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)c(O)c1 526559952 AQJBZDSRVKEOQZ-QFIPXVFZSA-N 469.440 4.841 10 10 JJCE C[C@@H](Nc1cc(I)cc(I)c1)c1ccccc1O 709847086 XHTMMTCKQWNTGI-SECBINFHSA-N 465.072 4.775 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727367090 XJHPPPFFCRBBRU-UHFFFAOYSA-N 462.638 4.599 10 10 JJCE CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)Cc1ccc(OC)cc1 731404306 ABSIJCXAOJZWRN-GOSISDBHSA-N 461.553 4.928 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860630670 FLPUWZRFVKZJEX-UHFFFAOYSA-N 482.524 4.866 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)sc(C)c1-c1ccc(C)cc1 1860749196 XMQYUQVVHBBSIO-UHFFFAOYSA-N 477.586 4.996 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)C(C)C)CC2)cc1 1868710793 HMTVCPXVYLIOIT-NAKRPHOHSA-N 497.655 4.762 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873168549 ZDNQJJDKNRVRDM-GOSISDBHSA-N 485.584 4.549 10 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CCOc1cc(C=C2SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)ccc1OCC(=O)O 2314931739 IDPZKZAUOWRWRG-UHFFFAOYSA-N 486.615 4.801 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(Br)cc2O)[C@@H]1C(F)(F)F 2370312506 NAYDIQGFOAKKKT-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1O 20690433 GILVLWOXYMGTDR-YPCDYVTLSA-N 462.571 4.706 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702425 SYSWAMAKDPHWER-IECBHUPTSA-N 470.591 4.524 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3cn[nH]c3-c3ccccc3)SC2=S)cc1OC 33315748 SAIQRIGOHNIJSC-DEDYPNTBSA-N 451.573 4.538 10 10 JJCE Cc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c2O)c(C)c1 34222019 QFWRCWXXSXCZLI-WQRHYEAKSA-N 450.882 4.663 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3c(C)c(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 54362172 SYOLIUMVENCDDH-XMMPIXPASA-N 482.646 4.654 10 10 JJCE COc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc1OC 59860870 UVMHIWJDTPNKEY-NTEUORMPSA-N 459.296 4.590 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526327521 HKYGNZXZLVZAGT-RUZDIDTESA-N 493.512 4.580 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526333037 LUZNXOVLBRIARP-VWLOTQADSA-N 490.512 4.521 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526372313 JGXOMCRFXCHWNT-AREMUKBSSA-N 488.540 4.772 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526393091 PCANSGNXDSYEGR-VWLOTQADSA-N 457.530 4.777 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526467116 DHDOGEVZVAGAMW-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2cc(Br)ccc2OC)n1 748933413 FDOIXLUWHBVEKG-UHFFFAOYSA-N 469.382 4.699 10 10 JJCE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1705777326 FLVHCLLLBKXTBQ-UHFFFAOYSA-N 487.421 4.702 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1 1857992624 VNBMDWWFCQRZCI-UHFFFAOYSA-N 490.629 4.670 10 10 JJCE CC[C@H](Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)OC(C)C 1858851540 VVRGJPCDXFCLML-FQEVSTJZSA-N 487.512 4.610 10 10 JJCE CCOC(=O)c1c(NC(=O)Cn2cccc(Br)c2=O)sc(C)c1-c1ccc(F)cc1 1865785757 LWRUNGJWSZQTIY-UHFFFAOYSA-N 493.354 4.602 10 10 JJCE CCCCOCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870610157 FGPNRCMIMNUFFJ-UHFFFAOYSA-N 497.680 4.731 10 10 JJCE O=C(O)C[C@@H](C(F)F)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952206633 NIJJJPOIJXHOPJ-IRLDBZIGSA-N 497.494 4.904 10 10 JJCE COc1ccccc1NC[C@@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2296292011 ZNRSYRVKMKUKES-HSZRJFAPSA-N 480.568 4.929 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348235 WQZNGCPKWJEGKL-UHFFFAOYSA-N 487.497 4.921 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2314509726 XWTXYHJUPQLZST-UHFFFAOYSA-N 469.563 4.936 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314837986 ZLAAWWWKPZEOSZ-AWEZNQCLSA-N 479.583 4.573 10 10 JJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl 2332144796 OEFSUFOZUZGRCU-UHFFFAOYSA-N 451.841 4.923 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc(OC)c1O 2332147425 CRSOGTDPJJISAR-UHFFFAOYSA-N 458.795 4.546 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 1792547 QKKNIVQCIBWDPQ-WAZQMIMHSA-N 452.557 4.561 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OC(C)C 13915472 QHOVCXNDFGHHAE-CAOOACKPSA-N 473.323 4.749 10 10 JJCE COc1cccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 27531725 XJUGLVBFPQMSCM-WOJGMQOQSA-N 465.980 4.646 10 10 JJCE CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccn1)N1CCN(CC)CC1)c(O)c1ccccc12 33592266 NARIVXFTUAVBSE-VWLOTQADSA-N 473.573 4.899 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)COc2ccccc2C=O)cc1 72413161 INFCRBYUBIOWLV-DEOSSOPVSA-N 461.949 4.975 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1O 1653761034 BYQBAXNPIQDOPL-QRWLVFNGSA-N 452.776 4.956 10 10 JJCE C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1 1690754791 IGUKGOIFNVNMAI-PHKMIBKXSA-N 455.653 4.961 10 10 JJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 1858587409 ZTGMHUSJNQQEOG-GZTJUZNOSA-N 468.369 4.877 10 10 JJCE Cc1ccccc1-c1ccc2[nH]c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866561878 DZTAPQJQAVKMCG-NDEPHWFRSA-N 491.595 4.822 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)C[C@@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994193 LMQXSUZWDWCKBP-FGZHOGPDSA-N 487.648 4.970 10 10 JJCE CCCNC(=O)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871130973 IHTPHTQQVDNSOK-UHFFFAOYSA-N 462.594 4.765 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCCOc4ccc(OC)cc4)ccc3[nH]2)cc1 1872740207 AEPOXMACXPFVCC-UHFFFAOYSA-N 458.562 4.894 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420214 KALGRICESJHXBY-UHFFFAOYSA-N 486.616 4.777 10 10 JJCE O=C(N[C@]1(c2ccc(Br)cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952757912 VEZMJSXOPYWGFU-BWKNWUBXSA-N 494.341 4.993 10 10 JJCE COc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)N(C)C2=O)cc1 2293531953 ASKWKXPNPZOWFQ-UHFFFAOYSA-N 480.405 4.747 10 10 JJCE CN(C)c1ccc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Br 2296394107 XEGKQHCMSRBVGM-UHFFFAOYSA-N 453.365 4.819 10 10 JJCE COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N(Cc3ccc4c(c3)OCO4)C1=O)=C2 2314450729 NYNCGRQWSUJBBJ-ZDUSSCGKSA-N 453.541 4.533 10 10 JJCE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1cccc(Cl)c1 2314487973 VHYKPRCJFLQOHQ-UHFFFAOYSA-N 483.796 4.609 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C2=O)cc1 1117934 RNVSELCUPUVXEQ-XSFVSMFZSA-N 460.417 4.560 10 10 JJCE O=C1N=C(O)/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1 1214133 APJSTXGPISYTTQ-WUXMJOGZSA-N 456.079 4.968 10 10 JJCE O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10913171 BTTGGNCOCOZTKR-QHCPKHFHSA-N 479.330 4.537 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 15037814 RMKGZIHEMOTHMS-YBEGLDIGSA-N 481.477 4.844 10 10 JJCE CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 15056104 FSSUXLAXRQHJDS-YVLHZVERSA-N 482.505 4.610 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc(I)c1O 16688267 DGEODXYQPQEHPB-RQZCQDPDSA-N 476.314 4.818 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cccc(C)c1 20236376 NYIBYMGBHLCFLC-ZKZSMLQKSA-N 461.518 4.692 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1 101350332 NDDPAHJRPKJMDZ-JWGURIENSA-N 490.585 4.831 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCC(C)C)[C@@H]3C2)cc1 104919669 RZOVCWUBYABFHV-VWNXMTODSA-N 475.555 4.744 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 210232369 RPKUAYQQYBDWFI-ZDLGFXPLSA-N 496.478 4.657 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 1084391423 KVGCCIQUJOOBJU-XKZIYDEJSA-N 489.597 4.559 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(CC(C)C)n3)CC2)cc1 1862361496 OFDQQFIRVDDBHI-UHFFFAOYSA-N 452.986 4.831 10 10 JJCE Cc1ccc([C@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866948839 HXJATMXTTHNTOY-HOYKHHGWSA-N 468.553 4.653 10 10 JJCE CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650274 OYWRYWJSGXIGOK-UHFFFAOYSA-N 484.604 4.656 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC[C@H](Cn4cnc5ccccc5c4=O)CC3)cccc21 1874017489 QSNFQBCDGBQLIL-WGSAOQKQSA-N 491.547 4.617 10 10 JJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)SC1=S 2053498717 RAMRCQHVIVKWRQ-UHFFFAOYSA-N 459.552 4.867 10 10 JJCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163165142 NCDUUDGKRKZLNI-MSOLQXFVSA-N 474.646 4.692 10 10 JJCE COCCN1C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)SC1=S 2297349637 KCEUNBWRBNYMLH-UHFFFAOYSA-N 464.406 4.876 10 10 JJCE O=C1NC(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2297559548 KEHAKXKCQZKJOZ-UHFFFAOYSA-N 457.530 4.515 10 10 JJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)SC1=S 2314754925 IQZYGDJIWZODCL-UHFFFAOYSA-N 451.610 4.807 10 10 JJCE CCOc1ccccc1N1C(=O)C(=Cc2ccc(O[C@@H](CC)C(=O)O)c(OC)c2)SC1=S 2314933644 WSQXPOCUDJWQBT-INIZCTEOSA-N 473.572 4.742 10 10 JJCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15048077 AHTRJBWWKSTDFJ-TYYMKKSVSA-N 498.626 4.830 10 10 JJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2C)cc1 33342723 NDRUIKPYRWQVSH-UCQKPKSFSA-N 457.486 4.835 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 33733723 CRHIVURVEAYIJO-OEEDQDNFSA-N 486.509 4.651 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@H]2C(N)=O)c(C)n1-c1cccc(Br)c1 110827443 JAORCFDVDBGRKW-QHCPKHFHSA-N 495.421 4.559 10 10 JJCE O=C1/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 213156121 DKMAZUAFYUZQQN-AQTBWJFISA-N 467.547 4.770 10 10 JJCE CC(=O)c1cccc(N2C(=O)C(O)=C(c3cn(C)c4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1 526437415 SDWGNIRNFIQJHE-RUZDIDTESA-N 454.482 4.849 10 10 JJCE COc1ccc(N2CCN(Cn3nc(-c4ccccn4)n(-c4ccc(C)cc4C)c3=S)CC2)cc1 917413371 FHHIGRXVMCEXAW-UHFFFAOYSA-N 486.645 4.870 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)cc2)CC1 1556199107 BCNTVFZZUBPJGY-UHFFFAOYSA-N 459.590 4.843 10 10 JJCE C=CC(=O)N1CCC(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)(c2ccccc2)CC1 1625905504 VQAIFDSDVPLYFZ-UHFFFAOYSA-N 459.634 4.818 10 10 JJCE O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1ccc(N2CCOCC2)cc1 1860087518 CVCGTZNYVQUCOL-QGOAFFKASA-N 450.507 4.948 10 10 JJCE CCCCCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862135376 INHKIJWDZLKPDQ-MHZLTWQESA-N 493.648 4.608 10 10 JJCE COC(=O)c1ccc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccc(OC)cc2)cc1 1865675776 ZKBHTFVVRJCYNH-HZHRSRAPSA-N 460.917 4.965 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cccc(C(F)(F)F)c2n1 1866534251 SYSXIXNNURFLJJ-UHFFFAOYSA-N 462.383 4.987 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981001 GAWIMLLEUUOBNN-PMACEKPBSA-N 494.039 4.746 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873164208 QZMKSECAZSTKJQ-CLOONOSVSA-N 468.601 4.938 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873164260 SMFLWIFXESFNGP-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cc(C)cc(C)c4)c3)CC2)cc1 1874736509 ZTBMWQXPSLQZNY-UHFFFAOYSA-N 472.585 4.926 10 10 JJCE CCc1ccc(C(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874737728 LSYMIBHXQHTRTQ-UHFFFAOYSA-N 472.585 4.872 10 10 JJCE CCN1CCc2cc([C@H](C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)NC)ccc21 2106860270 RAAMXTBGANLGTG-RPWUZVMVSA-N 453.627 4.830 10 10 JJCE CN1CCCc2cc([C@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163098969 ZBQDJYCWOZGBGK-LSYYVWMOSA-N 466.622 4.946 10 10 JJCE CCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl 2297512608 XIHFIIJLZOFOBK-UHFFFAOYSA-N 462.731 4.998 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2313558288 XEGJILCQALQIIQ-UHFFFAOYSA-N 474.536 4.746 10 10 JJCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)cc2c1 2314650532 MRVVTJCTTWXZMO-UHFFFAOYSA-N 494.686 4.779 10 10 JJCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)n3)cc21 11857620 KBKFLJUZJKICNF-UHFFFAOYSA-N 484.386 4.663 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc4ccccc24)N3)CC1 14464016 OEMAUOSXKADPAZ-LLGBQNBKSA-N 459.615 4.602 10 10 JJCE C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1O 20069336 FWLYOJOWJGWTGG-ZFGGDYGUSA-N 479.330 4.596 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 33420928 ZUHOLYUHIAWSIT-LDADJPATSA-N 491.431 4.828 10 10 JJCE COc1ccc(-c2cnc(CCC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)o2)cc1 726566903 GYQWXGJNYNLYCN-UHFFFAOYSA-N 471.504 4.669 10 10 JJCE Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)ccc1Br 1084408075 DUADSMJXPXMCHJ-NDENLUEZSA-N 496.336 4.971 10 10 JJCE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866815641 GYMVBMWUVGCGGM-UTZKEFOASA-N 472.928 4.662 10 10 JJCE CCCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165186 HRKOYKTUEPUDPF-UHFFFAOYSA-N 499.611 4.939 10 10 JJCE CCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421136 INZXCNSEMHCKEG-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](c2cc(Cl)cc(Br)c2O)C1 1952539566 WBHOKCHVOUOCBW-CXAGYDPISA-N 468.731 4.983 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)O)c1I 2079993880 YQBDOJRAISKVOO-CQSZACIVSA-N 454.308 4.775 10 10 JJCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2180814620 XWLSCNSENHMSJT-HRFSGMKKSA-N 468.594 4.756 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCC(C)C 2297314959 XPLWZORFPQLGMS-UHFFFAOYSA-N 462.424 4.777 10 10 JJCE Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 2297364103 JSKJARSILVGBQN-UHFFFAOYSA-N 490.899 4.592 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 2313503060 ITIBGTIXYWOGDD-UHFFFAOYSA-N 450.969 4.637 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 2314831902 VHWFEFABQWWMKT-UHFFFAOYSA-N 460.552 4.550 10 10 JJCE COc1ccc(CN2C(=O)/C(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 33039528 JXUUBESKVIXFGI-JLPGSUDCSA-N 483.524 4.927 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NC3CCC(C)CC3)nc12 33490841 ZFWSYKUHDAUQDL-UNOMPAQXSA-N 470.664 4.851 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCC)C2=O)cc1OC 40928314 NCHNGLJGLZDXHR-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)sc12 65081587 CCROJYOROQHYOX-IBGZPJMESA-N 492.624 4.528 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 103040391 XEACFTVVJCQJMX-PWDRSIHYSA-N 452.897 4.573 10 10 JJCE CCOc1ccc([C@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)C(C)C)cc1OCC 209940259 DFSOYULQKUHNNQ-GFOJTHJDSA-N 452.595 4.847 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)ccc1O 210713136 RVSMTUMSSCNSGI-XSFVSMFZSA-N 456.589 4.719 10 10 JJCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 229953877 PWKMTMZADXNRPM-BLAQYMCESA-N 451.684 4.623 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)cc1 1084277172 JDDJSHJSOCYORN-UYRXBGFRSA-N 450.541 4.579 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2OCC)sc(C)c1-c1ccccc1 1860747837 XTKALLWGMGPBBR-UHFFFAOYSA-N 452.532 4.876 10 10 JJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014014 LLDJJUNQDDJWDM-SBUREZEXSA-N 496.567 4.560 10 10 JJCE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866816046 AXMARBZYWTVMNI-MDJJKAFGSA-N 472.928 4.662 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873163999 HGNYWCMLZOJLCM-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5c[nH]nc5c4)c4ccccc34)[C@H]21 1873888544 PZDHWRQQLRPFLS-NDEPHWFRSA-N 490.567 4.693 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)OCc1ncc(-c2ccc(F)cc2)o1 2040496642 SVLFTRDKXCYKGB-UHFFFAOYSA-N 486.521 4.955 10 10 JJCE COC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1I 2079928638 IYUBPQPTMZBPDK-MRXNPFEDSA-N 456.324 4.541 10 10 JJCE CC[C@@H](NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2161551635 YRPQOYSGLUOCMM-SMDDNHRTSA-N 455.315 4.899 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2O)C[C@H]1C(F)(F)F 2279274583 JFHYCIFXJFJTGM-JSGCOSHPSA-N 453.299 4.575 10 10 JJCE O=C(O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)cc1 2294400614 USDDOGIVVBFMAB-UHFFFAOYSA-N 470.359 4.692 10 10 JJCE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296712287 UCGLMXKTLMGAMO-CYBMUJFWSA-N 486.018 4.695 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 2314753819 GLFXNSIKUBZBQJ-UHFFFAOYSA-N 474.648 4.918 10 10 JJCE CC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131567 HPJWTDYRTIZWMA-UHFFFAOYSA-N 468.120 4.858 10 10 JJCE CCOC(=O)c1cccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 3741836 KZFDDBNRVYPEFY-UHFFFAOYSA-N 482.540 4.711 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 20236468 FHCJRUWVKKXWRR-PPTQLFOTSA-N 461.518 4.610 10 10 JJCE COc1cccc(N(C2CCN(Cc3cccc(OC)c3O)CC2)S(=O)(=O)c2ccc(C)cc2)c1 34684004 RCWMZRPTUILOGR-UHFFFAOYSA-N 496.629 4.578 10 10 JJCE CCOc1ccccc1NC1=NC(=O)/C(=C/[C@H]2C(=O)Nc3ccc(Br)cc32)S1 101008353 QVJYWWQJGZAWIG-OMJMQIJPSA-N 458.337 4.509 10 10 JJCE COc1cc(F)cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 706533135 AGSXPWZAVRBLQF-OAQYLSRUSA-N 451.450 4.594 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1705480823 YPJSAPYNUWGFFD-CPJSRVTESA-N 458.654 4.931 10 10 JJCE O=C(CCOc1ccc(Br)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859616413 GLIXUAJXWYPVFC-UHFFFAOYSA-N 450.288 4.632 10 10 JJCE CCCCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)c1 1860086747 FDOQATAQTMAHOG-DEDYPNTBSA-N 455.557 4.821 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861854592 WSNXLAJJUXFJLN-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016491 QJQDOKRKSZIWAS-UGKGYDQZSA-N 490.604 4.668 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1-c1ccccc1 1866040420 DGGRUMGWZCNTQI-KRWDZBQOSA-N 464.543 4.510 10 10 JJCE CN1CCc2cc(CNCCCONC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 1942702535 XFKRGLXSDMCTLF-UHFFFAOYSA-N 457.574 4.629 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNCc1c(O)cccc1Br 2193991740 OIDAMJCPEXNZGU-MRXNPFEDSA-N 453.402 4.840 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)c1 2296881708 XCLXUNPLQWXGIJ-UHFFFAOYSA-N 455.586 4.535 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1OC 2296881993 FXHNNXKACAKLMD-UHFFFAOYSA-N 498.670 4.824 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 2318683338 CKKORIYBJHDGJI-BOFXEDATSA-N 472.676 4.960 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)c2C)cc1 8935908 JZTOXYAEQSXLNT-AREMUKBSSA-N 481.499 4.654 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33475547 LREAWYVCPWIHQQ-CYVLTUHYSA-N 488.679 4.623 10 10 JJCE COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc(-c5ccccc5)o4)C(=O)N=C3S2)cc1OC 34704570 YMPRLGPFKKFCTD-IKQNTSMISA-N 472.526 4.826 10 10 JJCE CCOC(=O)c1c(COc2cccc(OC)c2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393642 QNQHHQBJHMCUKF-UHFFFAOYSA-N 489.572 4.772 10 10 JJCE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 727478982 XAGPFICLCZQGQE-HSZRJFAPSA-N 452.986 4.598 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CNc3ccccc3Br)C2=O)c(OC)c1 1084528053 ATDZDMQTHOHXFW-MFOYZWKCSA-N 465.394 4.737 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1cc(C)oc1C 1705574895 RFEORDSHRVKTPJ-GDLZYMKVSA-N 481.600 4.543 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccccc3C)c3ccccc3)CC2)cc1 1868952600 LBAVIPHQOXCEPL-GDLZYMKVSA-N 485.628 4.533 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3ccco3)C2=O)cc1 1873168656 DTIQVIJZFKDGHJ-UHFFFAOYSA-N 471.582 4.861 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425669 KFEOOTQJKXWXDE-UHFFFAOYSA-N 499.659 4.694 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2CCC2)c1I 2079031048 FFYOZTLIDQHITQ-KRWDZBQOSA-N 482.362 4.975 10 10 JJCE CC(C)(C)OC(=O)NCc1nc(CNCc2cc(Cl)cc(Br)c2O)cs1 2271170271 NZUMAKRZLRIQSI-UHFFFAOYSA-N 462.797 4.579 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(OCC)cc3)C2=O)cc1 2296881350 CKRKSSKBXNLHKJ-UHFFFAOYSA-N 456.589 4.714 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 2297313901 KLLQJCHBZMNDPK-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cc(Cl)ccc1O)Nc1ccccc1-3 8587509 FDTWZLPGMILFEG-QFIPXVFZSA-N 484.943 4.569 10 10 JJCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc2N(C)C1=O 11858051 QTILBUBUBJPFKD-AWEZNQCLSA-N 471.604 4.652 10 10 JJCE CCc1ccc(C(=O)CSc2nc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 13654822 PGKQKOYYTVAFKP-UHFFFAOYSA-N 495.670 4.580 10 10 JJCE O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 33786183 DNUWYOYHANGCMA-JAIQZWGSSA-N 469.544 4.720 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccc(C)cc4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39844635 WHPRTNUKCSLMOV-UHFFFAOYSA-N 489.597 4.818 10 10 JJCE COc1ccccc1N1CCN(Cc2cc(Cn3cnc4ccccc43)c3cccnc3c2O)CC1 59501915 ROCBNNBXLCLSCM-UHFFFAOYSA-N 479.584 4.669 10 10 JJCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 65080277 LSEHXMCFJQVOTH-UHFFFAOYSA-N 469.497 4.667 10 10 JJCE Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 103649302 KOJVXNSENOIJJK-DEDYPNTBSA-N 488.594 4.609 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)cc1 526156845 CROXUAVDVZFSNL-RUZDIDTESA-N 458.514 4.590 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526217820 AYSOTZQCCCSZST-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526353782 LMJLPYAEOLSEOP-RUZDIDTESA-N 488.540 4.614 10 10 JJCE CC(=O)N1CCC(Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(F)(F)F)CC1 1596014204 RHDZKFFBUMXFJO-UHFFFAOYSA-N 488.558 4.610 10 10 JJCE CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(/C(O)=C2/C(=O)N(C)C(CO)=C2O)[C@H]1/C=C/C=C/C[C@H](C)O 1615671398 AWQOATNHYGPPIM-PHTBTKNHSA-N 457.611 4.551 10 10 JJCE COc1cc(N2CCC(NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 1858044441 UQOOCTJWOONQQC-UHFFFAOYSA-N 460.574 4.630 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3c[nH]c4ccc(OC)cc34)SC2=S)N(C)C)cc1 1858593944 FEIHCFIGLCPVTH-IQTGRTGDSA-N 467.616 4.689 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)N(C)C)cc1 1858594449 ZVTMQHQJHPRBEC-XOWGOQOESA-N 456.633 4.987 10 10 JJCE O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860505958 FHFWOTMTRYMFQB-UHFFFAOYSA-N 495.922 4.944 10 10 JJCE CC[C@@H](C)OC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827095 RHYYKQRHKSGEGW-PYLYDXJYSA-N 474.604 4.610 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)sc(C)c1-c1ccccc1 1866544588 YDJONNOYKBOLMG-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868227139 ARGACBCSCFBMQF-INIZCTEOSA-N 478.556 4.966 10 10 JJCE COCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870909195 PMPZCPGHLGHWDS-UHFFFAOYSA-N 479.577 4.571 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)SC1=S 1871287655 SNLUSGYEIHXXRK-IFRROFPPSA-N 486.571 4.898 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(F)(F)F 2294092666 INULKNXPEQLFSR-UHFFFAOYSA-N 453.420 4.779 10 10 JJCE CCOCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2296705994 IFJREOFSZGDKJA-UHFFFAOYSA-N 473.019 4.885 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314413840 IYSCAPSKLVKXQJ-WIHSUSGWSA-N 470.664 4.993 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 2314627651 NSOWJCZCSFIWMT-QGZVFWFLSA-N 493.075 4.811 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)OCCC)C2=O)cc1OC 2314761872 ZARCKHSPXNLVFL-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 2314837948 YULMISQBZKOLEJ-OAHLLOKOSA-N 453.545 4.770 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2323733395 HEVFRVSUSKOSBZ-UHFFFAOYSA-N 450.010 4.810 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Br)ccc2O)[nH]1 2362654057 PTNSUDFELDCTMW-INIZCTEOSA-N 456.406 4.867 10 10 JJCE Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1O)Nc1ccccc1-3 21524938 TVGSQUVMUURIKR-JOCHJYFZSA-N 484.943 4.569 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 33516605 NBLGMJOTXPWBMI-JZJYNLBNSA-N 478.643 4.741 10 10 JJCE Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 95542720 AWCNJQAZHSYJCB-JRZACFTFSA-N 478.940 4.949 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526618011 ZJCPAWVRRNQJKK-HSZRJFAPSA-N 487.430 4.980 10 10 JJCE COc1ccc(-c2csc(N3N=C(C)[C@@H](N=Nc4ccc(N(C)C(C)=O)cc4)C3=O)n2)cc1 575732991 KDRICULOUGRSKD-OAQYLSRUSA-N 462.535 4.676 10 10 JJCE Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344741 CJUCQKRUBSHLPC-UHFFFAOYSA-N 462.553 4.589 10 10 JJCE CCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860568850 WQIYXGQFLOMOHX-UHFFFAOYSA-N 491.503 4.760 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccccc1 1860651690 GUAZCHYHFMEQSP-HXUWFJFHSA-N 477.586 4.786 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2Cl)sc(C)c1-c1ccc(OCC)cc1 1860748148 OKXPYTWCAAWJIF-UHFFFAOYSA-N 487.965 4.925 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccccc2NC(=O)c2ccccc2)N2CCCCC2)cc1 1866045204 GBTNOVLWVUVENY-MHZLTWQESA-N 470.617 4.962 10 10 JJCE O=C(N[C@]1(c2c(O)cccc2Br)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952859081 NEWMSKAZOYVDNO-UQBPGWFLSA-N 494.341 4.993 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(Cl)cc1Cl 2293707269 UZLDZNGOQVQYGS-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 2297310340 COOCSPBMPYAJRR-UHFFFAOYSA-N 480.521 4.719 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314836511 GFQLTEVETNSKJA-NSHDSACASA-N 481.477 4.842 10 10 JJCE CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)SC1=S 1133119 CXIAWRKCFCSXAW-NDENLUEZSA-N 456.589 4.551 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14475825 QSJSIWHPUYZPDT-JXQFQVJHSA-N 469.563 4.692 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 14477531 XIHDQSZIXUWARO-PNLZDCPESA-N 465.402 4.841 10 10 JJCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 15046560 IUEXZGXKYQFWCU-PKSBALPTSA-N 482.505 4.648 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC 40938590 GHLGGCRHOVEDRJ-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)c1 59862757 QOONLDCUQJLLFR-XSFVSMFZSA-N 450.878 4.628 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 64929118 HRRYQSTWTGMZTM-QFIPXVFZSA-N 461.585 4.662 10 10 JJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 213202018 RPELVLVTBOMCAM-UNOMPAQXSA-N 481.599 4.661 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526297568 DHTUGSHEPUYRRA-NRFANRHFSA-N 453.878 4.826 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)C[C@H]1C(F)(F)F 1168527724 JFGZDFYLEQFLPZ-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE Brc1cc(CNCc2cccc(CN3CCOCC3)c2)ccc1N1CCCCC1 1656078777 VOBGTGVDIQUCGA-UHFFFAOYSA-N 458.444 4.561 10 10 JJCE Brc1cnn(CCCNCc2ccc(N3CCCCC3)c(Br)c2)c1 1658053163 MPWNPPDSYBZKNW-UHFFFAOYSA-N 456.226 4.578 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(SC)CCN(C)CC1 1705479560 NGFSTQKULGZBPG-FQEVSTJZSA-N 476.694 4.638 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(Cl)nc4)c4ccccc34)[C@H]21 1860344930 IJPIVFOMFJMFAU-SANMLTNESA-N 485.975 4.865 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862310594 DTLZOFLOJUQNFL-UHFFFAOYSA-N 496.611 4.637 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1862354783 AMQLCLUBPGELLE-UHFFFAOYSA-N 452.558 4.819 10 10 JJCE CCCC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665735 IZGBIHFKQWOBKS-OQKWZONESA-N 483.996 4.646 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C(C)(C)C)cc3[nH]2)N2CCCCC2)cc1 1866519205 YRERHNKPJVURJK-AREMUKBSSA-N 474.649 4.849 10 10 JJCE CCCCCOc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679559 SSZYXTUQSUFAAJ-UHFFFAOYSA-N 455.643 4.794 10 10 JJCE CCCCOC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871201262 VGMNKCDVPIRXMY-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(C3CCCC3)C2=O)cc1 1873162360 RGPVTKVYJDOERQ-UHFFFAOYSA-N 453.586 4.949 10 10 JJCE CCCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421829 TUBBVJIBJMMGLW-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080008018 RHVBXMHAQIFCFK-GOSISDBHSA-N 498.361 4.892 10 10 JJCE Oc1ccc(CNc2cc(Br)c(I)c(Br)c2)c(O)c1 2095445271 FMHVEWUFDWJLEG-UHFFFAOYSA-N 498.940 4.840 10 10 JJCE CC[C@@H](CN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2116680526 CYEFALDOUMBSBF-KRWDZBQOSA-N 462.635 4.692 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S 2296055627 MFJYFOBFYFWYDI-UHFFFAOYSA-N 490.654 4.649 10 10 JJCE CCn1c(C)c(C=Cc2nc3ccc(I)cc3c(=O)n2C)c2ccccc21 2297377810 YACUVTOYJABHFG-UHFFFAOYSA-N 469.326 4.992 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3c(F)c(F)c(F)c(F)c3F)SC2=S)cc1OC 2297562959 POBCOBIPTUDPMG-UHFFFAOYSA-N 475.460 4.843 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Br)c1 2313559352 WWPCTYDNLZUDJB-UHFFFAOYSA-N 498.377 4.827 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323812597 HUQYFCUAJOECIL-QFIPXVFZSA-N 491.590 4.868 10 10 JJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141350 RJWLTCGBSRUSSF-UHFFFAOYSA-N 491.887 4.863 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(Br)ccc2O)[C@H]1C(F)(F)F 2370310783 UECAZVFWSIIVJP-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2)N1CCc2ccccc21 20681692 RVULWGKMUQNUID-KYTVRQNUSA-N 460.555 4.676 10 10 JJCE COc1cc(Br)c(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1OC 33395107 ZZFNVWWZIQMECZ-MLPAPPSSSA-N 481.755 4.791 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781668 URDJVZSGYXJBGS-RGEXLXHISA-N 482.606 4.837 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526236552 NMPXCDHYWLKKAH-XMMPIXPASA-N 463.486 4.571 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 581783704 JVWNPDCTPUTNCP-UHFFFAOYSA-N 476.621 4.669 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Br)c1 1084386200 WWPCTYDNLZUDJB-WQRHYEAKSA-N 498.377 4.827 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 1084454758 ITIBGTIXYWOGDD-YVLHZVERSA-N 450.969 4.637 10 10 JJCE CC[C@H](NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854677 ZUGCCCKTROHFGR-SVBPBHIXSA-N 479.665 4.802 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(C3CCCC3)C2=O)cc1 1873419789 CHQIPFDMBDNMGJ-UHFFFAOYSA-N 483.568 5.000 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427472 OJJQIHFCZHHZOQ-UHFFFAOYSA-N 498.627 4.779 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc([N+](=O)[O-])ccc1O 1952829527 MLCMAOJLDDEUAN-YKSBVNFPSA-N 474.469 4.697 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2053498189 VOZLCCPWWFCIQS-UHFFFAOYSA-N 452.351 4.775 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079021618 FZBWGLVQFXIHJH-KRWDZBQOSA-N 482.362 4.975 10 10 JJCE CN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCC2)cc1 2106862638 WXDCEVVYCODXOA-VWLOTQADSA-N 452.643 4.574 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)S1 2293488690 RCFLAVSPXPPICD-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE CC(C)Oc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313548537 XRDJDRTXRHKAJO-UHFFFAOYSA-N 463.715 4.556 10 10 JJCE Cc1ccc(C=CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 2321908660 YCJJXTSNENOUCE-UHFFFAOYSA-N 478.548 4.661 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2cc(Br)c(O)c(OCC)c2)C1=O 2332110701 CPIJZXAYMPWWQX-UHFFFAOYSA-N 459.340 4.602 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1c(F)cccc1Cl 2332141479 XPUISCCVHJWLMY-UHFFFAOYSA-N 493.878 4.989 10 10 JJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C/c4ccccc4[N+](=O)[O-])N=C3c3ccccc3)sc2c1 15221140 BXKWDZMZEFENEE-PDGQHHTCSA-N 470.466 4.737 10 10 JJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33470214 OQMXGWKMOHSMMZ-KGENOOAVSA-N 484.691 4.819 10 10 JJCE CCn1c(C)c(/C=C\c2nc3ccc(I)cc3c(=O)n2C)c2ccccc21 33477002 YACUVTOYJABHFG-BENRWUELSA-N 469.326 4.992 10 10 JJCE Cc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)cc1 54201719 ZGQVMSIFSQTNHS-UPVQGACJSA-N 484.581 4.879 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526142555 SASWBPJMRJLOMS-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526350972 IXQQAJUFLNJNAM-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526556218 KJUCGULOTMCMET-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE Cc1nc2ccc(NC(=O)Cn3c4c(c5ccccc53)CCN3C(=O)c5ccccc5N(C)[C@@H]43)cc2[nH]1 1860347261 GHJKRSJGAZCXNJ-MUUNZHRXSA-N 490.567 4.612 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1869118239 JTPRNOGRWPHBPU-UHFFFAOYSA-N 480.616 4.925 10 10 JJCE Cc1cc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2c3c(c(=O)oc2c1)CCCC3 1874017279 MRJZPYXFZDXBCC-UHFFFAOYSA-N 493.515 4.773 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2296598272 URAZTGNIHXNUKK-UHFFFAOYSA-N 464.890 4.627 10 10 JJCE O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1Cc1cccnc1 2297349568 VFSBZYQOOSOXDF-UHFFFAOYSA-N 463.540 4.970 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 2297462295 WCTLJHPFQNQYFZ-UHFFFAOYSA-N 476.510 4.937 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 14475932 CVXFZRFPQCTTLR-UMEGOILYSA-N 477.542 4.605 10 10 JJCE CCOc1cc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=S)NCc2ccco2)ccc1O 21022176 PJFQQELHFVLRCT-UHFFFAOYSA-N 479.602 4.993 10 10 JJCE COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCc1cccc(C)c1 40942108 GBSQREUUQJMTNG-CXUHLZMHSA-N 450.379 4.834 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C1\SC(C(=O)Nc2ccccc2)=NN1c1ccccc1 106859368 ZAFCGSQGJNVQMA-DAFNUICNSA-N 453.527 4.826 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)sc(C)c1-c1ccc(OCC)cc1 1860645798 FJRJMZAAQJPGRH-IBGZPJMESA-N 484.618 4.886 10 10 JJCE CC[C@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862119721 VJWOIBRLWRKZIT-LJAQVGFWSA-N 471.601 4.610 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C(C)(C)C)cc3[nH]2)N2CCCCC2)cc1 1866519206 YRERHNKPJVURJK-SANMLTNESA-N 474.649 4.849 10 10 JJCE CCC[C@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267203 AEWHOUHHMCJXCR-NRFANRHFSA-N 483.549 4.609 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@H]2C)n1 1868387218 VSEGHDGZNOGXAJ-CALCHBBNSA-N 456.546 4.562 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868691319 JLQNAKPEAQMKCU-XTEPFMGCSA-N 479.665 4.623 10 10 JJCE CCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421896 WKTHILLUAWOEJU-UHFFFAOYSA-N 458.518 4.913 10 10 JJCE Cc1c(N2C(=O)C(=CC3=Cc4ccccc4O[C@@H]3C)SC2=S)c(=O)n(-c2ccccc2)n1C 2314433891 WMAUWFCQZSLYHJ-MRXNPFEDSA-N 475.595 4.598 10 10 JJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1)C(=O)O 2314931779 QQIKCHROVOUNSJ-IBGZPJMESA-N 498.626 4.772 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)cc1 2321591130 IQIFZSSJAHXYBQ-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2329500263 SYIIMVDBWOKYPE-SSEXGKCCSA-N 497.639 4.867 10 10 JJCE 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C/C(=C\c1ccc(Br)o1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1125187661 HCVWLJXOIRSRTQ-JQDFIBCJSA-N 451.336 4.515 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)[C@@H](C)C1 1359384273 UFCFJFOJUWOORF-FQEVSTJZSA-N 480.682 4.551 10 10 JJCE CCCOc1cccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 1858594267 RWEDKARRMITCOW-ODAUKNCYSA-N 456.633 4.988 10 10 JJCE O=C(COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Nc1ccccc1 1858827647 OFTUAPNONNADOS-UHFFFAOYSA-N 492.491 4.519 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N(C)CCc2cnc[nH]2)n1 1868227297 CHCSRPGMZBAZOO-UHFFFAOYSA-N 466.545 4.521 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164413 AOOJHPZCASVVCL-UHFFFAOYSA-N 481.552 4.636 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(F)c(F)c1F 1873912220 WUIDZDSROOATBS-UHFFFAOYSA-N 474.442 4.630 10 10 JJCE C[C@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 1881515258 KCRKCAJDDOCYND-KDYSTLNUSA-N 452.643 4.530 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2079041144 RQXHHUASGQEBAT-QGZVFWFLSA-N 455.384 4.893 10 10 JJCE O=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 2293320803 OZKNHFKFJCKRNY-UHFFFAOYSA-N 498.563 4.768 10 10 JJCE COc1cccc(N2C(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)c1 2296940740 JXXQQSOHHCOUDC-UHFFFAOYSA-N 453.523 4.675 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3cn[nH]c3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 35516397 HNAQPQPPFXTIFN-WOJGMQOQSA-N 452.517 4.789 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c1 39983116 NQNKYXVQVXRSNB-FYJGNVAPSA-N 493.610 4.922 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066391 LIKCIZSPJLAFJL-QNGOZBTKSA-N 480.659 4.704 10 10 JJCE COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C\c1ccc(N(C)C)cc1 103876083 GFXWBBBFVAANRL-IUXPMGMMSA-N 490.428 4.833 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1ccc(F)cc1 1860551698 TULDXBQNZLNEDY-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CC[C@@H](C(=O)OCC(C)C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827453 YTXXLDWDVHKDQP-TYJAPOHBSA-N 488.631 4.858 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(Cc4ccccc4)n3)CC2)cc1 1862310531 AROAPNLXLNWFFM-UHFFFAOYSA-N 480.612 4.688 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867016105 UIVKRBQORRAEEB-GAJHUEQPSA-N 460.574 4.902 10 10 JJCE CCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165547 NLGWYTJCQIAJIC-UHFFFAOYSA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873167772 WXSAPSZARAFJKJ-UHFFFAOYSA-N 488.676 4.996 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(F)ccc1F 1873890514 LQRSKBJIGZRBGS-UHFFFAOYSA-N 470.479 4.881 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)CC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 1951851697 LBGJOHNPNNEUJG-GOSISDBHSA-N 473.525 4.803 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1 2293648547 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CCOC(=O)c1c(C(F)F)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2079059990 BTCVAJGOWCFHSB-NSHDSACASA-N 464.250 4.615 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 2296397907 GPPLQPDVCXWMQT-UHFFFAOYSA-N 465.509 4.673 10 10 JJCE N=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352653 JUTVOMVWKVYUFW-UHFFFAOYSA-N 460.346 4.926 10 10 JJCE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314817657 IMPBMFRPYPIQHA-UHFFFAOYSA-N 496.589 4.535 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 15045758 PVMHKXJUGLGIRK-MFVBVHDHSA-N 461.406 4.986 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1 27549265 YKYWSAZSMLHYBN-OQZKWKKUSA-N 470.510 4.595 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 39835864 OIGWBGHWHRFNJA-NBVRZTHBSA-N 451.573 4.797 10 10 JJCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 47152383 ODOFHXOMHKUXGK-FFCYNSPCSA-N 492.376 4.586 10 10 JJCE COCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 102795737 XTESAXMRKWNYTC-VBKFSLOCSA-N 458.996 4.565 10 10 JJCE CCOC(=O)[C@@H]1C(C)=N[C@H](c2ccccc2O)N2[C@H](c3ccccc3O)Oc3ccccc3[C@@H]12 247958818 NKKIDFXTBGPCJK-RSYZFUPGSA-N 458.514 4.885 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2ccco2)cc1 1858894867 AKBPEFSLSZGLEB-UHFFFAOYSA-N 466.449 4.596 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-n4cccc4)sc3CCc3ccccc3)CC2)cc1 1860374186 UCQHTMJRTJIIEL-UHFFFAOYSA-N 472.614 4.690 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c2nccn2C)cc1 1865879142 CCFGAEZKFHXXHQ-NFBKMPQASA-N 461.997 4.947 10 10 JJCE CCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169081 YALNHBRIPOWVCK-UHFFFAOYSA-N 471.601 4.869 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)[C@@H](C)c4ccccc4)cc3)CC2)cc1 1874746667 AXRTWODNUUNKST-QFIPXVFZSA-N 472.585 4.799 10 10 JJCE CC(C)(Cc1ccc(O)c(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952544234 AUZZZSQPQYXRGV-XMMPIXPASA-N 461.514 4.658 10 10 JJCE CC[C@H](Nc1cnn(CC)c1I)c1cc(Br)ccc1O 2280041456 GUXHWCPBNMXTID-NSHDSACASA-N 450.118 4.539 10 10 JJCE COc1cccc(OCCOc2ccc(Br)cc2C=C2SC(=S)N(C)C2=O)c1 2297306646 PMPYYKWMVLQCGM-UHFFFAOYSA-N 480.405 4.747 10 10 JJCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Cl 2297470180 WXEYCLJYBOXLHX-UHFFFAOYSA-N 495.026 4.658 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932121 KQICXCWKIGLBIC-NSHDSACASA-N 494.388 4.715 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 15037775 FQTLQGCNGMJZCN-YBEGLDIGSA-N 452.479 4.641 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 33492903 NYQORQMOQRNYBW-UWCCDQBKSA-N 458.653 4.852 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 39859320 SVEFGRXRHPTAJU-XDHOZWIPSA-N 466.496 4.888 10 10 JJCE CN(C)c1ccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)cc1 65002534 ODWXLDXPJNZCIV-UHFFFAOYSA-N 465.601 4.557 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)c1 526480912 ZYTAVEURDFJKEN-XMMPIXPASA-N 475.497 4.730 10 10 JJCE Cc1cc(CCNC(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)n1-c1ccccc1 728126519 FIKUZXZCFYVFKL-QHCPKHFHSA-N 458.566 4.778 10 10 JJCE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 728751027 FKRVSOPZSWISNJ-LJQANCHMSA-N 484.591 4.882 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 1084600558 FVDSBUWSCNWEGH-GRSHGNNSSA-N 498.869 4.872 10 10 JJCE CCCCC(=O)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858891834 QQQYKIJLZZQUBW-UHFFFAOYSA-N 456.498 4.879 10 10 JJCE CCCC[C@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862139544 AMDZNMXTZITHMO-NHHXKRIFSA-N 477.649 4.856 10 10 JJCE COc1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)cc(OC)c3O)C2=O)cc1 1865671807 FMKBDRYRQABFSJ-ZSOIEALJSA-N 471.229 4.520 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677559 QGOKHNCBYOXOHP-CJLVFECKSA-N 479.577 4.537 10 10 JJCE Cc1ccc(C(C)(C)CCC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866787989 LLZZJGDFGLLBHF-LJQANCHMSA-N 482.580 4.972 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](c5ccco5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869189987 SREURIXPOGVMGX-FQEVSTJZSA-N 461.610 4.696 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871552889 XQYGZNQSOQRPDS-UHFFFAOYSA-N 489.668 4.738 10 10 JJCE CC(=O)NCCN1C(=O)C(Nc2ccc(C(C)(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422035 CELVTZVRIYMIIZ-UHFFFAOYSA-N 498.627 4.720 10 10 JJCE O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951659874 YTRJLEWFRTWGKX-OAHLLOKOSA-N 487.144 4.750 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Br)ccc1OC 2313510818 UXAIVVDDJXSRHW-UHFFFAOYSA-N 462.727 4.988 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 2313558677 HIASWMRWUBYVMM-UHFFFAOYSA-N 490.556 4.943 10 10 JJCE COc1ccc(CCN2C(=O)C(=CC3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1 2314450636 IVJRYHGVEMEYJB-HNNXBMFYSA-N 453.585 4.855 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3cccc(Cl)c3)c3ccccc3)CC2)cc1 2330354658 QNCXAQKZAKMEKI-HHHXNRCGSA-N 490.003 4.568 10 10 JJCE CCCC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105162 DHNDOBDTKYZCMD-UHFFFAOYSA-N 483.996 4.646 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H]2F 2358239094 IEGWCQPZOLOGNJ-OJLVUWQFSA-N 463.775 4.776 10 10 JJCE CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475937 GGEAYAAODCGXKR-XLNZFTOWSA-N 471.579 4.938 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)cc1 15800625 FMFQADRTUHUXOC-ULJHMMPZSA-N 458.514 4.968 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c(C(=O)O)c1OC 16906173 RKPZNTSQVFUYSL-RIYZIHGNSA-N 480.361 4.570 10 10 JJCE Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)n3n2)c1 33275153 WBJHLPSFSSCXRP-UHFFFAOYSA-N 496.659 4.920 10 10 JJCE C=CCN(CC=C)CN1C(=O)/C(=C2/SC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 33719800 CMEWWZWPKXYJJE-QURGRASLSA-N 461.612 4.749 10 10 JJCE CC1=NN(S(=O)(=O)c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 100869490 SEOVDGANTCPKNA-CPNJWEJPSA-N 471.332 4.700 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526369167 YOCHBOSEFZUUBK-SANMLTNESA-N 473.573 4.893 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(C)C)CC1 1301635128 OSBKOSHCQAESPB-UHFFFAOYSA-N 492.668 4.615 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1860084080 NAIIUJMCESYNKW-OVCLIPMQSA-N 451.323 4.772 10 10 JJCE CCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860568843 WMMHPVVUYXUWDK-UHFFFAOYSA-N 491.503 4.760 10 10 JJCE Cc1ccc(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1C 1860743293 GPDOVNIVOUSHTB-UHFFFAOYSA-N 481.533 4.780 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)/C2=C/c2ccc(O)cc2O)cc1 1865654042 GIRULEBPGXEHFE-WOJGMQOQSA-N 452.869 4.729 10 10 JJCE O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865919805 WSABDURGBQHDFQ-UHFFFAOYSA-N 475.456 4.739 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868275167 NAWKWESJVNMMIU-HSZRJFAPSA-N 491.551 4.531 10 10 JJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873162509 YXFZGDDKKAQDHB-UHFFFAOYSA-N 483.612 4.958 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080004432 AIDYCPBUWLTEGT-QGZVFWFLSA-N 456.368 4.845 10 10 JJCE COc1ccc(OCCCn2cc(C=C3C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1 2297313908 OACUEHQUUPVLEZ-UHFFFAOYSA-N 458.543 4.896 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC)C(=O)O 2314933649 WTXNBKYBIFSIJV-QGZVFWFLSA-N 457.573 4.960 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Cl 7003639 XKVDHOXLZCVQFG-WOJGMQOQSA-N 460.964 4.689 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640921 AVNVTXZNIUSYAN-WOVHNISZSA-N 498.645 4.960 10 10 JJCE COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 15009048 VXEWBKBMAROXEI-QNGOZBTKSA-N 471.513 4.527 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33781669 URDJVZSGYXJBGS-XMHGGMMESA-N 482.606 4.837 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N=C2c2ccc(OC)c(OC)c2)cc1 34139201 XSCOZJNGEWSOQG-JWGURIENSA-N 458.514 4.946 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 59536265 HZISNMXOVIMVKA-STZFKDTASA-N 462.889 4.594 10 10 JJCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/C(C)=C/c4ccccc4)SC3=S)C2=O)cc1 101974144 OZIACEZHCGTTJS-OSTYBKSYSA-N 478.595 4.565 10 10 JJCE CCn1c(NCCc2ccccc2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 208271139 LWROUXDQHJNTIX-PXLXIMEGSA-N 494.686 4.950 10 10 JJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210700445 NJJFWKGUPUTCJC-DEDYPNTBSA-N 451.573 4.797 10 10 JJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C1 257657199 VEXJAUPCKQHHLQ-NHCUHLMSSA-N 490.625 4.879 10 10 JJCE CCn1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c2ccccc21 1084617507 UFPMUTOEAQQEDA-GZTJUZNOSA-N 466.335 4.707 10 10 JJCE C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1650872955 XUQHBZSDFFWGKH-NLMIPJBGSA-N 454.571 4.920 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cc(Cl)ccc1OC 1857998006 QBMGDRPNKKEGAG-UHFFFAOYSA-N 479.917 4.772 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(Cl)c4)n(C(C)(C)C)n3)CC2)cc1 1869970516 MJNRYGWUVLKICL-MDWZMJQESA-N 495.027 4.674 10 10 JJCE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873424134 MALSEZVZFNVBFO-UHFFFAOYSA-N 471.557 4.729 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)cc1C 2080012016 JDAIHOWPDWXVOS-MRXNPFEDSA-N 468.335 4.805 10 10 JJCE CN[C@@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2106851407 SWLRWJXNXPBDTK-DEOSSOPVSA-N 452.643 4.573 10 10 JJCE Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2296390128 PXCKFBQGTDIERX-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)c1ccccc1Cl 2296880004 PMVRPYRXYIQNKZ-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 2297345979 TYZAEAIQIPFOBT-UHFFFAOYSA-N 497.385 4.653 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4SC(C)C)o2)c([N+](=O)[O-])c1 2297348039 ANHPGSUXSPURPA-UHFFFAOYSA-N 471.520 4.582 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 2313540727 QNALCVVHZSFVCD-UHFFFAOYSA-N 458.301 4.656 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC 2314765054 SOSZVWHXJJUPOA-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE COc1ccc(OCCn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326951864 XLKOZMNPQKWHMY-UHFFFAOYSA-N 496.610 4.795 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)NCc1ccccc1 15038959 SXHIWFFJZMUVLS-WJDWOHSUSA-N 451.400 4.901 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N2O1 20236833 PPJSYFKYXJEMFT-JIGGIXHTSA-N 451.910 4.865 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2CC=C[C@@H]32)CC1 20701627 WANRWBHBCTWJKT-JIGPKXGUSA-N 458.389 4.913 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 33402918 PTPFVPLVKMRCOU-DEDYPNTBSA-N 473.441 4.689 10 10 JJCE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(Cc3cccs3)C(=O)N=C2O)c2ccccc21 33457463 YZGBUQQIRATGRY-RSZPVBOMSA-N 490.585 4.606 10 10 JJCE CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 40940729 IFAZWYSOCQDREN-GZTJUZNOSA-N 477.405 4.702 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 526556754 KXQFAMTYBLRWKR-JOCHJYFZSA-N 469.440 4.841 10 10 JJCE O=C(N[C@H](C(=O)O)c1ccc(Br)cc1O)OCC1c2ccccc2-c2ccccc21 642884372 GOXLSLAVGSXYCY-NRFANRHFSA-N 468.303 4.819 10 10 JJCE C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 1650872953 XUQHBZSDFFWGKH-INTAXFPDSA-N 454.571 4.920 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(F)(F)Br 1705590627 RLEZNZNVGOODDQ-UHFFFAOYSA-N 486.364 4.803 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nccs2)sc(C)c1-c1ccc(Br)cc1 1860765511 OVKTXJONKCQENZ-UHFFFAOYSA-N 494.392 4.696 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864021263 OEZZUBKUSAFFGJ-VOIUYBSRSA-N 498.583 4.608 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)cc(Br)c1O 1865666241 FXVREFGYBZASJA-MLPAPPSSSA-N 473.220 4.647 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4ccccc4C)n3)CC2)cc1 1867961354 MVMUGOJUZXHBQP-XMMPIXPASA-N 487.648 4.529 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)SC1=S 1871286865 AOLKXKMICMHXGU-VYVDHXHBSA-N 454.617 4.800 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCCCc4ccccc4)cc3)CC2)cc1 1872884474 UGZTUPUBFBTUSM-UHFFFAOYSA-N 457.618 4.770 10 10 JJCE CCCOC(=O)c1ccc(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166726 FWFLBTVPMXFVPD-UHFFFAOYSA-N 499.611 4.939 10 10 JJCE CC1(c2nn(Cc3c(O)cccc3Br)c(I)c2C(F)F)CC1 2079770484 SFCCVLVBTINIJG-UHFFFAOYSA-N 483.094 4.993 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(CN)c2I)C2(C)CC2)cc1C 2079845574 SXVUCCBUQSKGCE-OAHLLOKOSA-N 461.294 4.596 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc3c(c2)OCO3)C1=O 2296881537 NGEVRKXBVGXSCH-UHFFFAOYSA-N 452.557 4.592 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 2297344268 QWTBVMKVUVZISO-UHFFFAOYSA-N 478.574 4.962 10 10 JJCE O=C(NCCNCc1cc(OC(F)(F)F)ccc1O)OCC1c2ccccc2-c2ccccc21 2299432420 FCUKFKQGPYYICD-UHFFFAOYSA-N 472.463 4.919 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N(c2ccccc2)C1=O 2313560012 FZJVOLSDXWKZEJ-UHFFFAOYSA-N 496.273 4.626 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469141 RTGWGBLORGYGOY-LJZUKVSMSA-N 470.591 4.524 10 10 JJCE COCCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 33266846 XVBUFYBJIMNUPH-MHZLTWQESA-N 498.631 4.689 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 33476242 QCBFKVSZXSOKBH-HMMYKYKNSA-N 494.642 4.707 10 10 JJCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 1086880441 ACHJDLRZMILRTK-SSZFMOIBSA-N 451.574 4.731 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccc(C)cc1 1860761347 RPMYRSISDBAOMD-UHFFFAOYSA-N 466.603 4.842 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868679892 BFULZIJIGADDHX-XRKRLSELSA-N 491.676 4.685 10 10 JJCE C[C@@H](N1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O)C12CC3CC(CC(C3)C1)C2 1874017738 UUVCUZCFKSIQJN-OOGVYUHRSA-N 496.607 4.854 10 10 JJCE Oc1c(Br)cccc1Cn1ncc(-c2ccccc2)c1I 2070259993 QGYXWBUZIWKYRG-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE CCN1CCc2cc([C@H](NC)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2284088964 JSOLWQQELQQMCD-VWLOTQADSA-N 465.638 4.783 10 10 JJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1 2294034569 FLHZJVJIGIPRGH-UHFFFAOYSA-N 461.493 4.503 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cccc(C(=O)O)c1 2295916644 TYYWMUXBHFUOLK-UHFFFAOYSA-N 460.964 4.658 10 10 JJCE CC(=C1SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)c1ccc(Br)cc1 2296881820 BNBRFVDTSHSZDV-UHFFFAOYSA-N 450.335 4.649 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1 2297458234 WLLXPWSTDGNRJU-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2297460326 IAEDBDFSQGSMBZ-IAGOWNOFSA-N 482.675 4.629 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1OC 2699407 YRZWOMOJLRFQLE-PDGQHHTCSA-N 464.406 4.910 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 20356311 TYSQKYLQRAJAGE-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccc(C)cc3OC)C2=O)cc1 33330936 FOSFQBFDRQDPDZ-XLNRJJMWSA-N 473.529 4.953 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1O 33723310 RXIUJZPYOWBRJB-HYARGMPZSA-N 492.578 4.824 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 33769501 CRBOPXMBBMDQRU-NBVRZTHBSA-N 451.573 4.797 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C[C@H](O)COc2ccccc2Br)cc1 40316982 GZODQSKSUUALRV-FQEVSTJZSA-N 459.384 4.550 10 10 JJCE CCCCn1c(O)nc(=O)c2c1nc(CNc1ccc(Cl)cc1C(=O)c1ccccc1)n2CC 253610626 KJFWMLPRXWULLA-UHFFFAOYSA-N 479.968 4.615 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526275561 CBSWXEXNGJSLJX-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526553631 VCTPAJOTXBQAQD-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccc(C(C)(C)C)cc3)ccc21 1858033933 QCEIMNIZZHTDIY-UHFFFAOYSA-N 476.598 4.925 10 10 JJCE CCOc1ccccc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860748678 HJGCGZKZRKXAKD-UHFFFAOYSA-N 452.532 4.794 10 10 JJCE CCOC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149974 ZBZSUBCOBRKIJT-UHFFFAOYSA-N 493.604 4.699 10 10 JJCE CCOC(=O)c1ccc(CN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167111 SFLOVTKKNZZWCE-UHFFFAOYSA-N 499.611 4.797 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873168256 OLUUVVSOAMIDIS-UHFFFAOYSA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420272 XMCJJPAKWBJMKS-OAQYLSRUSA-N 477.511 4.743 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 1874749908 JKHWKMZVUPUYCP-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE COc1ccc(N2CCN(C(=O)C=Cc3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)CC2)cc1 2042437235 LKMRFTUBKCTFQP-UHFFFAOYSA-N 485.415 4.917 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079036979 AZYOEQIZNSLHDE-ZDUSSCGKSA-N 480.224 4.608 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2293185153 PLTYMJRPTBTXOG-UHFFFAOYSA-N 473.616 4.665 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 2313553079 DNMVGBWWMZLAEC-UHFFFAOYSA-N 461.499 4.557 10 10 JJCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 2314740017 DHVCHCVTIUCLMF-UHFFFAOYSA-N 485.627 4.861 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314767975 JMIXHCPVEKIVEK-GOSISDBHSA-N 492.416 4.963 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1OC 2323790305 LDAXKLLTLCTRSM-UHFFFAOYSA-N 480.036 4.819 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139832 XSELJPRLMSJYKC-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3ncnc4sc(-c5ccccc5)cc34)CC2)cc1 15277100 RLUNSPKDJGQFBR-UHFFFAOYSA-N 476.627 4.808 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 20236881 RFLGICAZVHTPMV-WNDUKTEYSA-N 482.880 4.676 10 10 JJCE O=C(Nc1cccc(C(=O)NC2CCCC2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699814 YBFUKXMSSPVRJZ-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE O=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1 1858055388 JNWONGRYLXCQOF-UHFFFAOYSA-N 451.729 4.529 10 10 JJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860345256 XRQHIDBGFHIYEI-MUUNZHRXSA-N 480.568 4.826 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016563 SLVMUBPVTOHIRY-QFIPXVFZSA-N 488.588 4.515 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873170388 XSNMYTFLVFVAGN-UHFFFAOYSA-N 475.589 4.764 10 10 JJCE O=C(CCCCCNC(=O)c1cc2ccccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017006 KRXCEYZAZXSEBP-UHFFFAOYSA-N 479.536 4.872 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCC(C)C)ncnc4n3CC(C)C)CC2)cc1 1875209351 LFVWAPZWQMYEOP-UHFFFAOYSA-N 478.641 4.516 10 10 JJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(=O)OC 2079952260 FXWMDFVBMZHAAR-SFHVURJKSA-N 468.335 4.549 10 10 JJCE CCN1CCc2cc([C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc3ccccc3)ccc21 2106851379 SPONLTSGYUWRAC-NGXZDTIWSA-N 453.627 4.828 10 10 JJCE CC[C@@]1(NCc2c(Br)ccc(OC)c2O)CCCN(C(=O)OCc2ccccc2)C1 2236051097 OGKWANSBNXUHFI-HSZRJFAPSA-N 477.399 4.834 10 10 JJCE COc1ccc(N(C)CN2C(=O)C(=Cc3ccc(I)cc3)SC2=S)cc1 2313501867 CNUPCHBDZJVMMY-UHFFFAOYSA-N 496.395 4.595 10 10 JJCE Cc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831135 DBTLJXZPDDHKSY-UHFFFAOYSA-N 456.589 4.807 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(C(C)C)cc1 11591640 PPAJDTMZWVWRJN-NDEPHWFRSA-N 471.557 4.630 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 14546693 GSEYBZMRYKZRPA-WCJKSRRJSA-N 465.402 4.841 10 10 JJCE Cc1cc2c(cc1C)-n1c(-c3ccccc3F)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccccc1O)N2 15859022 SRYFPYCALZYCBR-DEOSSOPVSA-N 496.542 4.671 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCCC)C1=O 33470597 HJXOSPIEDJKKJG-JXAWBTAJSA-N 458.653 4.996 10 10 JJCE O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccccc1F 33609778 QPUSVNLMWIOXND-ZSOIEALJSA-N 457.289 4.542 10 10 JJCE C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 35562092 ZTAVWJJQRXLPED-QGZVFWFLSA-N 467.013 4.692 10 10 JJCE Cc1cccc(CN2C(=O)N/C(=C/c3c(Cc4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 1082758623 AQQPLSLQOMXDBE-KOEQRZSOSA-N 464.525 4.570 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 1084117748 KCNHIQVSQYXVJL-DEDYPNTBSA-N 459.458 4.700 10 10 JJCE COCCCN(Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565519893 LHNGOAAUIYMNDM-XXBNENTESA-N 477.045 4.872 10 10 JJCE C[C@H]1CCCC[C@@H]1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344990 LYJKXLKORKMHDF-AVRDEDQJSA-N 454.574 4.659 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679543 RZGZJSLTERWANX-YDZHTSKRSA-N 499.523 4.822 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cc(Br)cc(F)c2n1 1866523938 WMIUDAMBKJTPTE-UHFFFAOYSA-N 491.272 4.870 10 10 JJCE CC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867664278 JIOBVPRXZWVQLQ-VSGBNLITSA-N 486.660 4.758 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868940602 QKAVAFKPMBPTCX-QFIPXVFZSA-N 483.628 4.598 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868946717 OHLYYRRZPOVEKB-WNCULLNHSA-N 497.655 4.988 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873165694 PTJYOHOWELZDLH-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167470 IUIOEGPFIZPABR-FQEVSTJZSA-N 464.654 4.684 10 10 JJCE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421339 RYMSIWMWJZXEEZ-UHFFFAOYSA-N 470.617 4.855 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)cc1I 2180959398 CJHYUVKIPZXORG-GFCCVEGCSA-N 485.326 4.801 10 10 JJCE Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 2294095079 HZCPWHGLUJNKHS-UHFFFAOYSA-N 492.535 4.563 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314400470 NEAFLVJGIYNQFN-UHFFFAOYSA-N 470.664 4.631 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1=O 2314832538 JAFPCZCRYRQDOA-GOSISDBHSA-N 468.987 4.820 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2c(O)cccc2Br)[nH]1 2362649045 JNTPISOEFNCMOH-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 33424315 XACMCSMCFRLRAD-OAKBMTRYSA-N 468.560 4.785 10 10 JJCE N=C1/C(=C\c2cccn2Cc2cccc3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 33803973 SYQRSPOACIIJRI-MNSJCAPPSA-N 453.449 4.871 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1 1084104606 DIQDQOUPZFYVBM-PDGQHHTCSA-N 496.947 4.898 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)o1 1084557519 KLWUCFYHGVEWAF-MOSHPQCFSA-N 459.458 4.700 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ccc(Br)cc2OCCCO)c1O 1194745011 KCSAFEKQKAERIO-GFCCVEGCSA-N 456.764 4.623 10 10 JJCE CC(=O)N(c1ccc(F)cc1)c1nc(CNCc2ccc(N3CCSCC3)cc2)cs1 1308206645 OKJQMMVTPKLVKZ-UHFFFAOYSA-N 456.612 4.810 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)c(F)c1 1705591532 RPCDALDLZYGBCD-LJQANCHMSA-N 475.637 4.848 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCc3ccc(F)cc3)C2=O)cc(Br)c1O 1858591203 CNQIXVXDFMMKMZ-MHWRWJLKSA-N 468.369 4.746 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1cc(C)ccc1C 1862313356 UKKKIEDIPMGISY-UHFFFAOYSA-N 460.622 4.862 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC)cc1OC 1865675488 KTIMOAHAFVCJEL-HAVVHWLPSA-N 493.604 4.927 10 10 JJCE CCCCOCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873887121 MLQAIVQLSZYOII-NDEPHWFRSA-N 488.632 4.501 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079006553 DJQNXMQUNXUOAX-SFHVURJKSA-N 480.346 4.945 10 10 JJCE CCN1CCc2cc([C@@H](C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C)NC)ccc21 2106860269 RAAMXTBGANLGTG-DNQXCXABSA-N 453.627 4.830 10 10 JJCE CCN1CCc2cc([C@H](N)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268739514 RALSZRPCAXWGSN-DEOSSOPVSA-N 451.611 4.523 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4C)cc3)C2=O)cc1 2297357781 GQKAYSCVOBODPO-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)[nH]c4ccc(Br)cc34)C2=O)cc1C 2297360993 LPSLJBHXALDWRJ-UHFFFAOYSA-N 452.308 4.522 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314401000 UEWQZQDACCPRBP-UHFFFAOYSA-N 470.664 4.712 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)OCC)C2=O)c2ccccc21 2314760420 JTGKDBYWPFIQAQ-UHFFFAOYSA-N 460.621 4.528 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 59862005 XBUOSOGFYQIEPX-BOPFTXTBSA-N 466.833 4.814 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526395901 SQBWJRWFXHHPIJ-AREMUKBSSA-N 487.556 4.785 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526559073 ZSIUNQGMGXOFPP-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(Cl)cc4)s3)cc2)CC1 1154271001 HDCLKRMEJOYVPD-UHFFFAOYSA-N 453.995 4.667 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1O 1653295359 LOJVGTKHBZXKRC-UHFFFAOYSA-N 458.967 4.681 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862136227 TZGNWNCIMMNAPT-SANMLTNESA-N 481.637 4.512 10 10 JJCE Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2cc(Cl)ccc12 1866292996 OTCAKDSHPHBUSW-JOCHJYFZSA-N 467.997 4.778 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3cc(Cl)cc(Cl)c3c2=O)N2CCCCC2)cc1 1866454899 BQMKMRDPPMMZHW-QFIPXVFZSA-N 487.431 4.858 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868687805 IOAFBWOVFZYQHX-FIBWVYCGSA-N 491.676 4.829 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(C)c(C)c5)[nH]c4c3)CC2)cc1 1872798154 MOEFRIJVUIJFOB-UHFFFAOYSA-N 454.574 4.742 10 10 JJCE COc1ccc(CN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873165534 MYCBZFQNTBCBBC-UHFFFAOYSA-N 499.611 4.924 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873418994 KOCUKMJNHUOOKZ-UHFFFAOYSA-N 488.551 4.758 10 10 JJCE CCCn1c(C(=O)Nc2cccc(F)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650212 MEMQTBLCLIJAEU-UHFFFAOYSA-N 488.567 4.568 10 10 JJCE CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874016991 JZQIUJUGZWQFPF-MRXNPFEDSA-N 481.504 4.927 10 10 JJCE CCCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017752 VCNRORZEILKQGA-HSZRJFAPSA-N 479.536 4.871 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2CC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163130467 HUASLYRTIBWRSP-AHWVRZQESA-N 466.670 4.745 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 2297347753 ZCDLUAOEDSSRRG-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 2533516 BKHNPDFWAWVSDE-IAFNSTAXSA-N 495.464 4.736 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15046554 BLXCVBKHSDXXNI-RCEBRVLHSA-N 452.479 4.639 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 39723631 XIIBFHCGUOYAAU-UDWIEESQSA-N 478.643 4.781 10 10 JJCE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1137471243 BYVXUUVCLYBGPW-RUZDIDTESA-N 458.558 4.962 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1OCC 1858589423 PVGQOTRCVZCMLS-PXLXIMEGSA-N 473.616 4.945 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1 1860087171 FHDQMFIPTJAFBE-LZYBPNLTSA-N 451.342 4.952 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Br)cc1 1860715505 YALIEMYWEDFJEG-UHFFFAOYSA-N 462.569 4.689 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860761184 PFOJYYSHLYJGTI-UHFFFAOYSA-N 454.523 4.521 10 10 JJCE Cc1ccc(CCC(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)cc1 1860905238 SNOZETVTRXVADK-UHFFFAOYSA-N 484.644 4.590 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc(Br)ccc2O)cc1 1865672188 OUKDLSASMYDRAO-KGENOOAVSA-N 463.331 4.993 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(N)ccc2O)sc(C)c1-c1ccc(Br)cc1 1866085183 ROWXKEACTZGDBA-UHFFFAOYSA-N 461.337 4.813 10 10 JJCE CCCCCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870842463 FRNQSJKSIVAFJI-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873165963 YGXBMZMEXSAPEQ-UHFFFAOYSA-N 481.552 4.766 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421472 ZXUVLIHODWYKIK-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE Oc1ccc(CNc2cc(Br)c(Br)c(Br)c2)c(O)c1 2095449231 FDQORSLYQJCGME-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ncc(Br)cc1Br 2297453069 SNHZQRYPEYWBBZ-UHFFFAOYSA-N 450.134 4.634 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 2313545844 JRAHJMLWTGZUHM-UHFFFAOYSA-N 491.931 4.675 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OC(C)C 2314768722 LRPXQRWVLWPPBV-UHFFFAOYSA-N 456.589 4.727 10 10 JJCE N#Cc1ccccc1COc1ccc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc1 641962 IKWQBQFNVXYVNW-WSDLNYQXSA-N 455.495 4.918 10 10 JJCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 16908129 UWRHTKAMODYYLJ-MHWRWJLKSA-N 453.463 4.965 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(SC)c3)ccc21 20729412 SCWZEZUXVLSMDF-UHFFFAOYSA-N 484.735 4.712 10 10 JJCE O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 27671626 BLEGFMXJTRCVLL-UHFFFAOYSA-N 474.929 4.631 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCc1cccc(C(=O)O)c1 33316233 XXPYSLGMPHJPAU-BKUYFWCQSA-N 486.480 4.788 10 10 JJCE COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1Br 33441805 HOHNEHSZFDCPAH-MDWZMJQESA-N 469.213 4.504 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC[C@@H]4C)nc4ccccn4c3=O)SC2=S)cc1 33807188 WBZXUJJWKFZCQF-IGCAKMCNSA-N 490.654 4.783 10 10 JJCE Cc1ccc(/C=C2/SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)=NC2=O)cc1 33926603 RCSJTQZHWYWCTG-YHARCJFQSA-N 488.638 4.562 10 10 JJCE O=C(CSc1nc(-c2cccc(Cl)c2)n[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 59793619 CXUGXGBVBQYILN-UHFFFAOYSA-N 474.929 4.631 10 10 JJCE Cc1c(Br)ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)c1C 59860166 VKDCJIZCUIGLRS-GDNBJRDFSA-N 487.310 4.547 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)c([N+](=O)[O-])cc1OCCC(C)C 59861045 VAURVJMTKHUMAL-BOPFTXTBSA-N 467.478 4.843 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)SC1=S 213179780 JWBYOQKIIHJMPL-RGEXLXHISA-N 465.600 4.969 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526303463 YZFGRSMWNSIXMK-OAQYLSRUSA-N 453.878 4.826 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C(C)=O)c2)[C@H]1c1ccc(O)c(O)c1 526439470 WHNMCNUZGQGTRM-DEOSSOPVSA-N 475.497 4.765 10 10 JJCE Oc1ccc(Br)cc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705617660 ILFILGPQBCPPGG-UHFFFAOYSA-N 467.407 4.716 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 708125614 VVPNARWUEQXHGV-NOLJZWGESA-N 459.812 4.933 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1 1084529029 IGDXPVKQADBYQE-RGEXLXHISA-N 476.529 4.635 10 10 JJCE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)cc1C 1705678344 WWMPLTPJVQNCHL-NEKDWFFYSA-N 492.668 4.765 10 10 JJCE COc1ccc(N2CCN(C(=O)CCn3ccc4cc(OCc5ccccc5)ccc43)CC2)cc1 1860233599 RHTPTBJCWUOETE-UHFFFAOYSA-N 469.585 4.968 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(F)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762611 LJLLSHGSTRMGHU-UHFFFAOYSA-N 484.549 4.693 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc(Br)c2)N2CCCCC2)cc1 1866124680 SRAYOSPCPJXKSU-VTJDKEBTSA-N 456.428 4.872 10 10 JJCE C[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866695202 VKDXIORKNJJPLF-HZPDHXFCSA-N 474.944 4.752 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)OCC2(C)C)n1 1868386764 HCOTWDMTLAIMNU-KRWDZBQOSA-N 470.573 4.952 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869971092 WYMRXENHBUNGGG-NTEUORMPSA-N 495.027 4.674 10 10 JJCE COC(=O)c1ccc(CN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165901 VXTPVXMNKFZTQQ-UHFFFAOYSA-N 497.595 4.693 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873166386 OEXMTSIKBAXUMU-DEOSSOPVSA-N 490.003 4.796 10 10 JJCE CN(C)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1873895899 VDMVPEMRAOXQQZ-GDLZYMKVSA-N 493.611 4.883 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc1C2=O 1873914981 WGRWFLDFLIJJSW-UHFFFAOYSA-N 499.519 4.997 10 10 JJCE COc1cc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951861669 XIPWYOIFRPENPK-JOCHJYFZSA-N 477.513 4.941 10 10 JJCE COc1cc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951861670 XIPWYOIFRPENPK-QFIPXVFZSA-N 477.513 4.941 10 10 JJCE COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C=Cc1cc(C)n(-c2ccccc2)c1C 2042446864 DYHVVFVBVGUSIK-UHFFFAOYSA-N 462.575 4.894 10 10 JJCE CCN(CC)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2296881536 NFLOPBXQCVWAMX-UHFFFAOYSA-N 469.632 4.771 10 10 JJCE CN(C)c1ccc(C=C2c3cc([N+](=O)[O-])cc(C(=O)O)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 2297321968 KLCMJCGHEHRSAA-UHFFFAOYSA-N 476.401 4.745 10 10 JJCE COc1ccc(CCN2C(=O)C(=CC3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1OC 2314450842 WWCVWVSPNSIUAG-HNNXBMFYSA-N 483.611 4.864 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)NCc1nc(-c2ccccc2)cs1 2314913647 LMJHMJUUYVDQHZ-UHFFFAOYSA-N 465.625 4.718 10 10 JJCE O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1 2616242 FOQNVUGWWQAGCD-UHFFFAOYSA-N 499.314 4.758 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15044373 WODIWUMXVSFNGK-PGMHBOJBSA-N 498.626 4.969 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCC3)nc12 33781515 BQAATTAKBCZUNB-ZHZULCJRSA-N 494.617 4.534 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccccc4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 39844630 ZOSYQUVIPQYRHJ-UHFFFAOYSA-N 489.597 4.818 10 10 JJCE CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)COc2ccc(Cl)cc2Cl)cc1 39920752 NKMPWIKHQOFYQP-HSZRJFAPSA-N 485.371 4.736 10 10 JJCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 39990015 FXINRSILEQPFMU-BKUYFWCQSA-N 496.633 4.579 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(Cl)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 54362137 GFLCESXLQSBFIZ-JOCHJYFZSA-N 489.037 4.691 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)CC1 96480406 HJAKEXVDDZGMER-XQNSMLJCSA-N 480.586 4.520 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526411554 HDCNANWWMGECKI-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE O=C(Nc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586693650 VYNAXWIKIXMPGL-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(SC)CCOCC1 1705590376 JPANQTUCKLHHPH-UHFFFAOYSA-N 487.673 4.728 10 10 JJCE CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592699 UPKLHWIFCAPAJD-FIJZOYEMSA-N 464.790 4.509 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CC(C)C)CC2)cc1 1870613554 WKPMPKAAZYCFDU-UHFFFAOYSA-N 479.596 4.553 10 10 JJCE CCCCCOc1cn(Cc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870675814 AMRCNBJJQVCOLA-UHFFFAOYSA-N 475.633 4.796 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc(Br)cc4)cc3)CC2)cc1 1872873045 KPUDZLSMKGBVOL-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE CCCCOCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163896 BTUUNDNWWHYWTA-UHFFFAOYSA-N 486.616 4.566 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079875093 OMRPOYHLLLSLRZ-OAHLLOKOSA-N 459.287 4.864 10 10 JJCE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C4NC(=O)NC4=O)c3C)sc3c2CCCC3)cc1 2313543502 DLHJJIJAGIOFAU-UHFFFAOYSA-N 474.586 4.775 10 10 JJCE COCCN1C(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(C(=O)OC)=C1C 2313630166 RPUQPKLDBBJAIV-UHFFFAOYSA-N 463.361 4.720 10 10 JJCE COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 2313682786 KRTKULFBYZVFHW-UHFFFAOYSA-N 459.521 4.700 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCCc1ccccc1 2314761313 SCFCSZWKDJUTBO-UHFFFAOYSA-N 485.627 4.861 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccccc3)SC2=S)cc1OC 2318684026 NIFZFQCBTBIQCM-QGZVFWFLSA-N 457.573 4.901 10 10 JJCE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cs1)c1c(C)cccc1C 12773536 JWCMYGBMVCZHQM-YBEGLDIGSA-N 475.617 4.511 10 10 JJCE CSc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14552233 WPKZKIAVIHRAQO-CTLLREPQSA-N 456.633 4.692 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15045585 BMEHXZPXNJUQNL-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 20071083 LKIXHDYCUAZEHX-CCLHPLFOSA-N 476.529 4.977 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 20356479 QSISENRVNUMGLS-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1 33431093 HTQBUHVEIZUCOC-IYIAEQPYSA-N 499.610 4.560 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1F 33880940 ARFLUXPDWGLWPL-KGENOOAVSA-N 483.590 4.925 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 102975733 NGRCXIWBISUIHZ-LTKMBJGESA-N 460.533 4.864 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NCCc2ccc(F)cc2)cc1 205960234 OREPHVTVJQTBKO-XIEYBQDHSA-N 459.521 4.700 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 210746123 RAVJPNXNBIUJRT-XMHGGMMESA-N 472.563 4.924 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 253579566 ZUTQABWRGMXQJI-UMFWRGCQSA-N 485.923 4.592 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526212819 DHTTYDVKDYWYAD-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCCCc1ccc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866515943 FAFNSWPPIHAJRW-HHHXNRCGSA-N 474.649 4.894 10 10 JJCE CCc1ccccc1OCc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872798420 WJRGXSGEYZWHCR-UHFFFAOYSA-N 470.573 4.675 10 10 JJCE CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498757 OPTTYIAPNZWUPA-UHFFFAOYSA-N 492.670 4.683 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079984773 HVCLKBSCIFGHLY-KRWDZBQOSA-N 454.308 4.631 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047413 DTUMNFGFKIAUHN-CQSZACIVSA-N 465.257 4.801 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](CC)c2cc(C)c(C)cc2O)c1I 2080052695 CKUYTEQXBKLCST-GFCCVEGCSA-N 478.277 4.924 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@]2(NCc3cc(Cl)cc(Br)c3O)CCC[C@@]2(F)C1 2182453386 ULHXYVBLOWYVDL-MOPGFXCFSA-N 463.775 4.779 10 10 JJCE CC(C)C1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 2296660334 YNUXTZYNRBUWGV-UHFFFAOYSA-N 457.559 4.995 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nc(-c2cccs2)ns1 2297366363 XAQUUOSIGOXIPQ-UHFFFAOYSA-N 464.644 4.558 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCCOC(C)C)cc1 2313682702 IYFAPMCOSMRRLH-UHFFFAOYSA-N 464.591 4.735 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2314413996 NBLGMJOTXPWBMI-UHFFFAOYSA-N 478.643 4.741 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475845 MNDYFNIZAISWRY-AXHZCLLHSA-N 469.563 4.548 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 15044312 NHOZGJMMHCYKLG-QNGOZBTKSA-N 486.615 4.897 10 10 JJCE COc1ccc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)c(C(=O)O)c1OC 16906374 LBGVTZHGLRKFOM-MDWZMJQESA-N 453.303 4.791 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238737 WQZNGCPKWJEGKL-SCORJZKRSA-N 487.497 4.921 10 10 JJCE CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(CCC)[nH]n(-c2ccc(F)cc2)c1=O 20595771 OPMINFFMPJJRIE-QNGOZBTKSA-N 450.489 4.983 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 33424107 CHWNXXGSXAPVAP-ALLGYFEPSA-N 498.564 4.972 10 10 JJCE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 33676067 XYDIUXTUKYWLLC-OTGIAGGSSA-N 477.991 4.690 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)cc1 34236519 RJSBXFKPQBLEJF-MFOYZWKCSA-N 454.280 4.836 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S 206841599 DCZZXKSKBTUCFV-RCCKNPSSSA-N 471.600 4.819 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OCC)c2)SC1=S 206841822 LJRYWRSECHEMQK-OQKWZONESA-N 485.627 4.861 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)CC2)cc1 247831454 LLGJNLVEQYQPJL-UHFFFAOYSA-N 468.395 4.828 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526334017 PWUZZXVXFUPGBJ-VWLOTQADSA-N 487.556 4.785 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526372764 LTNTZTAOIYWNIN-VWLOTQADSA-N 458.514 4.764 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526565408 KLSYVVMVHOFWPY-AREMUKBSSA-N 486.568 4.921 10 10 JJCE CCCCN(C)C(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586719366 UEOQODDBPDEMTL-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084170448 AQOQPNHNIFNSMY-PDGQHHTCSA-N 479.330 4.894 10 10 JJCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1128383418 AXZRSGJEMWHLCT-AVRWGWEMSA-N 454.014 4.729 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 1859574410 KPKILVHZBJPTIO-UHFFFAOYSA-N 457.577 4.511 10 10 JJCE O=C(Cc1noc2ccc(Br)cc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1859616549 PSEDJWQVDBXLFE-UHFFFAOYSA-N 461.271 4.547 10 10 JJCE CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860259136 VHILMUQONXTQNP-FQEVSTJZSA-N 478.589 4.569 10 10 JJCE Cc1nc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)sc1C 1860345214 UQGJBMHKWJPJSD-UHFFFAOYSA-N 469.570 4.676 10 10 JJCE CCOc1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1860748554 GFZATAKGFPLXBR-UHFFFAOYSA-N 452.532 4.794 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(Cc5ccccc5)CC4)nc(C)n3)CC2)cc1 1867988362 QMHOLLYOYRCYJX-UHFFFAOYSA-N 457.622 4.579 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCC(C)(C)c3ccc(C)cc3)C(C)C)CC2)cc1 1868728754 NJNYMVDOJJYDAW-HHHXNRCGSA-N 479.665 4.551 10 10 JJCE COCCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420919 YUFKHLNPXCHFQG-UHFFFAOYSA-N 487.600 4.967 10 10 JJCE O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179679 KQXRYHVKTPAZHP-UHFFFAOYSA-N 457.873 4.737 10 10 JJCE CCCN[C@H](c1ccc2c(c1)CCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163141752 XXAZPNPSJHRPLX-AOYPEHQESA-N 466.670 4.745 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NCc3cc(Cl)cc(Br)c3O)C(C)(C)[C@H]21 2175900739 IXPSIUZYQHKAES-COXVUDFISA-N 459.812 4.932 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2296882095 IVNZKITXBSOBQB-IBGZPJMESA-N 466.496 4.882 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(OCCc3ccccc3)cc2)SC1=S)c1ccccc1 2314764568 GOEKEYVXYMLWHB-UHFFFAOYSA-N 460.580 4.854 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 2314932707 OQDRLXXYELVMOC-PBHICJAKSA-N 457.573 4.900 10 10 JJCE COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 2154297 SJCPTYCZFADVBB-ZONZVBGPSA-N 479.532 4.726 10 10 JJCE biogenic N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 6072836 FWGBCFYXCXJXDK-DHPBROCDSA-N 487.562 4.759 10 10 JJCE CN(C)CCCNc1cc(N2CCN(c3ccccc3F)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612343 FUGATQUUHVVRBQ-UHFFFAOYSA-N 499.590 4.869 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 11591359 RTCOTBKXSWUSAQ-RUZDIDTESA-N 497.473 4.525 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15038491 OLYURZJKZUAQIE-FXBPSFAMSA-N 482.627 4.706 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCCC1 20695952 YTOLTDATOCRUSN-YVHKJVDXSA-N 475.408 4.766 10 10 JJCE COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC 33303883 GUVIJUQXZKMTJA-HYARGMPZSA-N 471.513 4.505 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCCCC3)SC2=S)cc1 33459698 DFLOLFSFONLPFO-HYARGMPZSA-N 492.670 4.656 10 10 JJCE COc1cccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4ccccc4F)c3C2)c1O 34756015 CYBWRYJESVXOIF-UHFFFAOYSA-N 478.568 4.917 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCc1cc(-c2ccc(Cl)cc2)no1 40324333 FRVIIZUGJLFFSM-NDENLUEZSA-N 484.002 4.903 10 10 JJCE CC1=CN2C(=N)/C(=C\c3ccc(OC(=O)c4ccccc4F)c(Br)c3)C(=O)N=C2S1 102464546 RJOQQASEBVFWCA-GVZSWBRXSA-N 486.322 4.974 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526289587 LVEDDPMWKSRVQA-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)ccc(N)c2C1 702105324 CQDXNQNVZJSGNO-KMRXNPHXSA-N 462.638 4.520 10 10 JJCE COc1cc(Cl)cc(CNCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1O 705594291 SYKJBAHDGHENRH-UHFFFAOYSA-N 452.982 4.615 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CC(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1861864447 WSNNMBNRLAZVBM-UHFFFAOYSA-N 452.986 4.695 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118872 WJEGZCUVOOIQNS-MUUNZHRXSA-N 485.628 5.000 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)sc(C)c1-c1ccc(C)cc1 1866047851 RICCWWBKNAYATF-FQEVSTJZSA-N 462.571 4.806 10 10 JJCE COCCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169135 ASWWHTOYTWFESR-UHFFFAOYSA-N 471.601 4.617 10 10 JJCE CCOc1ccccc1C=C1SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O 2296055620 IRZJHUKYLBBLIZ-UHFFFAOYSA-N 461.509 4.897 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 2297299537 DMXPHDFLFGNAQU-UHFFFAOYSA-N 454.573 4.816 10 10 JJCE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 2297350203 WTBFXOLFLDZKSU-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE CCOC(=O)c1c(NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)sc(C)c1C 2297480316 LOTMEMXQDONASG-UHFFFAOYSA-N 480.658 4.833 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc(Cl)cc1Cl 2313541688 URLUPILQPKYENZ-UHFFFAOYSA-N 476.356 4.926 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314769457 QVAHFBYGOBKBMR-KRWDZBQOSA-N 462.390 4.955 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 2314837333 RBSHLUHUMZEJFK-LBPRGKRZSA-N 462.980 4.586 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 10910047 GWQNMPWPXIOBKM-MHZLTWQESA-N 486.593 4.849 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468579 SYSWAMAKDPHWER-AXHZCLLHSA-N 470.591 4.524 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)o1 58833372 NBEINBMSEXZRTF-MOSHPQCFSA-N 461.430 4.933 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1OCC(=O)NC1CCCCC1 95927072 NOKDZWKZFXYJHJ-STZFKDTASA-N 474.648 4.667 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=S)cc1 209924174 ADKMKQYCJVGARK-CXUHLZMHSA-N 467.353 4.707 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cccc(O)c1 210498863 HSKSMVWLHMTUAR-GZTJUZNOSA-N 464.515 4.614 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@H]2c2ccc(O)c(O)c2)c1 526142554 SASWBPJMRJLOMS-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 526500097 CMPHGUQHFIAYFU-MHZLTWQESA-N 469.585 4.955 10 10 JJCE CCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586294232 MUZWOXVOMVIKTG-UHFFFAOYSA-N 475.566 4.891 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1O 1193888911 LEBMMYOZGFVFBK-UHFFFAOYSA-N 455.864 4.617 10 10 JJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705653337 FQBWYKPGJDUGIE-FCHUYYIVSA-N 476.694 4.638 10 10 JJCE O=C(COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1 1858827866 SAXCSTZATCRPES-UHFFFAOYSA-N 492.491 4.519 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861854434 KUBUTUDALBVWRQ-UHFFFAOYSA-N 468.896 4.578 10 10 JJCE Cc1ccccc1-c1ccc2[nH]c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866561877 DZTAPQJQAVKMCG-MUUNZHRXSA-N 491.595 4.822 10 10 JJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 1890788232 CJAKYBOFJVVEOO-REWPJTCUSA-N 473.646 4.727 10 10 JJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C1CCC1 2079673944 IROYYYOSHYIEPZ-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080035432 FKYBOWABPWLBMK-ZDUSSCGKSA-N 480.224 4.527 10 10 JJCE CCOC(=O)c1sc(N2N=C(C)C(=Cc3c(OC)ccc4ccc(OC)cc34)C2=O)nc1C 2293556342 IUZUXIVDTALHIR-UHFFFAOYSA-N 465.531 4.605 10 10 JJCE O=C1C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296851476 BYNBOJQTMMPJTL-UHFFFAOYSA-N 467.547 4.770 10 10 JJCE N=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352730 QOKXAAHYFFBFNY-UHFFFAOYSA-N 484.379 4.772 10 10 JJCE N=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297468374 GGNZXAJPSBNRJD-UHFFFAOYSA-N 481.965 4.622 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 2314504514 XZFLDKAJKQKZNX-UHFFFAOYSA-N 495.626 4.677 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2314650527 MANONAWJUJLXIX-CYBMUJFWSA-N 486.354 4.773 10 10 JJCE O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 210399377 SXRRTUIHQFDZLR-STZFKDTASA-N 490.562 4.510 10 10 JJCE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S 211951996 KDINQGVCCRDIAZ-MHWRWJLKSA-N 452.479 4.554 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526406184 GIUCAYMPMVIOCL-VWLOTQADSA-N 477.513 4.961 10 10 JJCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H](Oc3ccc(F)c(Cl)c3)c3ccccc3)cc2)C1 730481651 KMCHQQCXHDJTSO-NBGIEHNGSA-N 495.982 4.617 10 10 JJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1O 2009759991 LSKBBBRFZPXAAJ-AREMUKBSSA-N 458.558 4.914 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080047433 FAGJKSZZZAATNL-QGZVFWFLSA-N 498.361 4.676 10 10 JJCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163165145 NCDUUDGKRKZLNI-ZWKOTPCHSA-N 474.646 4.692 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(c5cccs5)SC4=NC3=O)o2)cc1 2297360117 GHIDMGFSLZBKPM-UHFFFAOYSA-N 476.539 4.852 10 10 JJCE COc1ccc(OS(=O)(=O)c2ccccc2)c(C=C2SC(=S)N(Cc3ccccc3)C2=O)c1 2297499952 AGSWMYQTWXIWCI-UHFFFAOYSA-N 497.619 4.864 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)o1 2313553113 GWEFNKMRCVVNFO-UHFFFAOYSA-N 465.303 4.938 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 2314533812 UCFCJIDJFGBTGP-UHFFFAOYSA-N 466.496 4.888 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)o2)SC1=S 2314769476 QYUOBACXGVOYCE-HNNXBMFYSA-N 452.351 4.548 10 10 JJCE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323815960 GKOYTPGYEDTHCX-LLVKDONJSA-N 464.790 4.653 10 10 JJCE CCC(=CC(=O)N[C@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 2329554238 WQEOIGGYKWSLRP-XMMPIXPASA-N 496.563 4.798 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccccc1-c1ccccc1 20287619 LMZIVPILWLPFAS-KOEQRZSOSA-N 470.485 4.914 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1O 20692973 FWGYBNNNXZIFLU-FHAGJXEFSA-N 454.592 4.792 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC 33436470 MIWQZUQOISIOGL-KGENOOAVSA-N 484.599 4.527 10 10 JJCE CN(C)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 71328673 OVTBTQBBHRBHCV-NRFANRHFSA-N 468.962 4.737 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413653 AISFSKQKGGBVQA-XZOQPEGZSA-N 472.570 4.530 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526352239 DYNREPGGWCPVDX-XMMPIXPASA-N 458.514 4.605 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 1084397765 ZBFOTMDSZNIOCV-UYRXBGFRSA-N 450.853 4.725 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)s1 1859573962 YBHBGXHSUMXWOS-UHFFFAOYSA-N 477.995 4.811 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(-c4ccccc4)n3)CC2)cc1 1862338082 IZPWFFHOUUYISC-UHFFFAOYSA-N 468.557 4.519 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016280 LIPPXHXPUCTPPD-GAJHUEQPSA-N 496.567 4.553 10 10 JJCE CC[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866948358 FLGUZQSSIWWROK-YJBOKZPZSA-N 474.944 4.752 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873164113 MPPDRRKNFLLAKG-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE Oc1ccc(C(F)(F)F)cc1Cn1nc(I)c(Cl)c1C(F)(F)F 2079184043 JKEICMPNJOKRNI-UHFFFAOYSA-N 470.538 4.933 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2297480326 ROONENDGLIHXAP-UHFFFAOYSA-N 467.591 4.647 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCCC)C1=O 2314414948 SBDIGKITWGBDJH-UHFFFAOYSA-N 458.653 4.996 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 2314837332 RBSHLUHUMZEJFK-GFCCVEGCSA-N 462.980 4.586 10 10 JJCE CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)nnc12 9396086 HQVODVAVPXRFLY-UHFFFAOYSA-N 489.576 4.976 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2C[C@H]1C 21044915 RWCLDXMHHQZXOK-MRXNPFEDSA-N 472.010 4.524 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccco1 33313264 CQEULQZLZDSYKJ-DEDYPNTBSA-N 467.524 4.922 10 10 JJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33343173 VLAICYTWVMEYRQ-KQWNVCNZSA-N 474.542 4.643 10 10 JJCE Cc1ccccc1Oc1cc(N)c2c(c1N)C(=O)c1c(N)c(Oc3ccccc3C)cc(N)c1C2=O 206676795 YOUJNQKHDBUXJW-UHFFFAOYSA-N 480.524 4.992 10 10 JJCE CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 726965488 GTYDKWTYVFDMFS-UHFFFAOYSA-N 469.376 4.571 10 10 JJCE CCOC(=O)c1sc(N=N[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)nc1C 1084390019 XLPHGAGXLFQHOA-MRXNPFEDSA-N 468.564 4.935 10 10 JJCE COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 1860086263 UNCMBXNANIXEJP-OQLLNIDSSA-N 452.326 4.781 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864022474 XNQJEVZJWHPLAC-DEOSSOPVSA-N 498.583 4.610 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)sc(C)c1-c1ccc(Br)cc1 1865923691 VKWAMPQUXHJXGF-CQSZACIVSA-N 493.423 4.858 10 10 JJCE C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867856596 XBOWPPUFQMCTLW-RLWLMLJZSA-N 478.681 4.512 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@H]2C)n1 1868227141 ARGACBCSCFBMQF-MRXNPFEDSA-N 478.556 4.966 10 10 JJCE CC[C@H](C)N1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165362 LERKNXUHVPRAAI-SFHVURJKSA-N 457.574 4.771 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(Cc2ccccc2)C(C)(C)C1 1881512484 ACKKDJHRLINWLM-HHHXNRCGSA-N 452.643 4.530 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C(=O)O)c2I)c(O)c1 2079138535 JTLQOGQZGFJKDX-KRWDZBQOSA-N 454.308 4.713 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(Oc3ccc(F)cc3)nc12 2296851506 JWKYUANLUTUZGF-UHFFFAOYSA-N 455.536 4.544 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1cccc(C)c1 2297364542 WFPSAMGYQVWRQD-UHFFFAOYSA-N 476.916 4.728 10 10 JJCE Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 2297602802 AQQPLSLQOMXDBE-UHFFFAOYSA-N 464.525 4.570 10 10 JJCE CN1C(=O)C(=C2SC(=S)N(c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21 2314717424 ROVUQMHMQVQURH-UHFFFAOYSA-N 465.781 4.855 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 2533301 RDAFBTVHKAWLAA-WCWDXBQESA-N 499.617 4.752 10 10 JJCE COc1ccc(N2CCN(C(=O)CSCc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 8597310 GAPKLYOJUPCVEH-UHFFFAOYSA-N 472.010 4.894 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3cc(Cl)ccc3Cl)c2-c2ccc(F)cc2)cc1 11730799 DFNTUTRIKANROM-UHFFFAOYSA-N 463.321 4.795 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc4ccccc24)N3)CC1 14464010 OEMAUOSXKADPAZ-SHQBLQIYSA-N 459.615 4.602 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccccc1C(F)(F)F 15037724 UTWGNFOJSLSKRH-WJDWOHSUSA-N 452.479 4.641 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 20681155 LHXUYGXJGVTVRO-CLWLKPMESA-N 489.435 4.733 10 10 JJCE CCc1nnc(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(c3ccccc3)C2=O)s1 39793598 CCFORXLNRRTMCB-FBMGVBCBSA-N 466.613 4.601 10 10 JJCE O=C1[C@@H]2ON(Cc3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1Cc1ccccc1 43254195 MKUUODCDFKYPKL-MQSCRBSSSA-N 483.351 4.741 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c1 226835269 XBTSUDPRLRRESF-XQNUDUSMSA-N 489.981 4.532 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526433299 ZISQWGOGFJPITB-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)CCCN2C 1705483194 PFSYRYYCMRQMKI-OAHLLOKOSA-N 470.440 4.658 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864020391 XWWQXAGHCZOHEA-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865032002 SUZJRLLYCUWJAM-JOCHJYFZSA-N 490.604 4.715 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873168058 HUDUHUODZDRCPK-NLFFAJNJSA-N 485.632 4.629 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2079027567 WEXWOEKZVUZHTI-QGZVFWFLSA-N 480.346 4.729 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080036094 HSMGSISTVSEHHP-KRWDZBQOSA-N 455.384 4.812 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c(C)c1 2296070790 HYJHLMKITAAXMO-UHFFFAOYSA-N 497.580 4.824 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296717927 NPKUFIZNSVQWBT-CALCHBBNSA-N 470.664 4.568 10 10 JJCE COc1ccc([C@@H]2N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]3C[C@]23C(=O)O)c(O)c1 2308895701 AUFNSFCZHDNOQL-XIPSWSLHSA-N 471.509 4.798 10 10 JJCE CCOc1c(I)cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc1OC 2313510393 BUIASQDJJOWDFG-UHFFFAOYSA-N 478.282 4.688 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314767469 HBJXBGJSXFZHTR-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2314836710 IUEXZGXKYQFWCU-NSHDSACASA-N 482.505 4.648 10 10 JJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1818137 RTBNBLVOADFRGF-QURGRASLSA-N 479.627 4.742 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCCC(=O)O 16919614 XIHSDUXDMQRECB-XSFVSMFZSA-N 457.573 4.907 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(Br)cc1O 33436251 JVFCIFGTHUNNJD-GIJQJNRQSA-N 480.405 4.963 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)on2)cc1 40324402 JIXOIJWVOKUMCK-MTJSOVHGSA-N 481.574 4.697 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4cccnc4)S3)[C@H](c3ccc(OC)cc3)C2)cc1 54201466 YJNZDUMLURBCKI-UGZUYNBGSA-N 470.554 4.920 10 10 JJCE CCc1ccc2occ(CC(=O)N(Cc3ccc(N(CC)CC)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 54362147 HUTJRBTTZNSOTN-DEOSSOPVSA-N 482.646 4.600 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 102444251 SWJFKILMEPEKPD-WOJGMQOQSA-N 495.875 4.882 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 213187245 KWLYRNLEKZKVNE-HIXWQLQUSA-N 469.563 4.934 10 10 JJCE COc1c(-c2nnc(N)s2)nn(-c2cccc(Cl)c2)c1N=Nc1ccc([N+](=O)[O-])cc1 255996423 QEKXUVMHAHQIMN-UHFFFAOYSA-N 456.875 4.959 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 526190476 MUKFFFUOEVKXHV-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE C/C(=C\c1ccccc1)CN(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1458970110 WIVHLTBJUIAGHN-LBNBPBRMSA-N 454.592 4.979 10 10 JJCE Brc1ccc([C@@H](Cc2ccccn2)NCc2ccc(N3CCOCC3)cc2)cc1 1658336622 MLLICQPEFXQIEG-XMMPIXPASA-N 452.396 4.754 10 10 JJCE C[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)c1ccccc1 1860344782 GBSYDEKSJQAWEY-LJQANCHMSA-N 462.553 4.842 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(NC(C)=O)ccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866438243 TVAVULHZQOLIMS-UHFFFAOYSA-N 489.553 4.871 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3Cc3ccco3)CC2)cc1 1870621858 FWYDLYNUMHDKCB-UHFFFAOYSA-N 499.611 4.708 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873166387 OEXMTSIKBAXUMU-XMMPIXPASA-N 490.003 4.796 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4cc(C)ccc4C)cc3)CC2)cc1 1874750974 YUZXJRJREYYVJB-UHFFFAOYSA-N 485.628 4.888 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(OC)cc2O)c1Br 2079858572 RVSLSOAYUAKFRA-NSHDSACASA-N 451.239 4.555 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 2293986919 DJLYAVHOIIDIDW-UHFFFAOYSA-N 476.510 4.937 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC(C)C 2294216910 OLTBVDDAYDUPNK-UHFFFAOYSA-N 458.967 4.584 10 10 JJCE COCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)c(OC)c2)SC1=S 2296701669 YUVBGQVMZNJTGZ-UHFFFAOYSA-N 499.610 4.560 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2313502075 NPODGUJEPQDNHD-UHFFFAOYSA-N 472.588 4.629 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=CNC2Cc3ccccc3C2)cc1 2313710644 XBBAXDDJAGLNHW-UHFFFAOYSA-N 466.566 4.697 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H]2F 2358239092 IEGWCQPZOLOGNJ-DMRZNYOFSA-N 463.775 4.776 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14458854 NSRINMXZOQSNGX-RLSLOFABSA-N 454.592 4.838 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N3)CC1 14477570 XQGJUWNQPIJFCY-IEGUWTFLSA-N 478.445 4.756 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1cccc(C)c1 33457201 WFPSAMGYQVWRQD-MOSHPQCFSA-N 476.916 4.728 10 10 JJCE CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccn1)N1CCN(CC)CC1)c(O)c1ccccc12 33592267 NARIVXFTUAVBSE-RUZDIDTESA-N 473.573 4.899 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)cc1 71810272 CEXHFDBRDXLFDQ-MUUNZHRXSA-N 485.540 4.889 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526447664 QKEIHVQXFPNBAB-RUZDIDTESA-N 477.513 4.879 10 10 JJCE CN(C)S(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586234193 ONXDBRIKJFOFRX-UHFFFAOYSA-N 476.598 4.573 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2cccc(F)c2)c1 1860503796 LVBXIHYWDNTOCI-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccccc1 1860760271 YNJRDXUXLAERNA-TWKWOARYSA-N 454.592 4.780 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017287 JGVSTLCZPAZEKW-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679929 NMSGMPXQTUUUCC-UDWIEESQSA-N 478.932 4.902 10 10 JJCE COC(=O)c1c(NC(=O)CCc2cncnc2)sc(C)c1-c1ccc(Br)cc1 1866148790 KPCJOEGRSCGOLX-UHFFFAOYSA-N 460.353 4.634 10 10 JJCE C[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866695201 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DBVSTHDHBUVERS-RIYZIHGNSA-N 469.462 4.827 10 10 JJCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2OC)cc1 33316183 TWQRGPVPGRDEOU-ZCAHDAEPSA-N 469.584 4.932 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 40888438 XUMDATBBIQDZNM-ZHZULCJRSA-N 463.621 4.951 10 10 JJCE Cc1ccccc1NC(=O)C[C@@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O 54201739 MDTYJSGXUVABSR-UPVQGACJSA-N 484.581 4.879 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 213210002 RCHFXVGCRYEQLS-AQTBWJFISA-N 451.573 4.715 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526431473 DHGSBNJMZAUZFZ-OAQYLSRUSA-N 468.303 4.926 10 10 JJCE CC(=O)c1cc(Br)ccc1OCC(=O)NCc1cc(C)n(-c2ccccc2)c1C 1544080499 NLQLFTINVAVHKB-UHFFFAOYSA-N 455.352 4.754 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)N2CCCCC2)cc1 1858074587 NEIRHJQKISRSSA-NRFANRHFSA-N 450.410 4.782 10 10 JJCE Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 1859707272 NOFARMLCHRCUQI-UHFFFAOYSA-N 458.477 4.757 10 10 JJCE CCOc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347197 BHPBAMRYIRRWDT-MUUNZHRXSA-N 480.568 4.826 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc3)CC2)cc1 1861928731 NHMXUOXSLVYDQA-DEOSSOPVSA-N 498.410 4.822 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](c1cc(Br)cc(Br)c1O)C(C)(C)C(=O)O 1951873686 VJWKMRBTYKPNLD-LBPRGKRZSA-N 467.154 4.594 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2080004980 HXUCXVGJEGSUJE-AWEZNQCLSA-N 470.351 4.894 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2294581294 BRGIQPUSGXBJHA-UHFFFAOYSA-N 458.301 4.656 10 10 JJCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 2294704110 YTWUFFJHMUAVNK-UHFFFAOYSA-N 482.964 4.686 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)cc1 2297296533 YNUQWGWEKXAHHQ-UHFFFAOYSA-N 450.878 4.547 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314828660 UXOQAIFJVISZER-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330499950 AXMARBZYWTVMNI-MRXNPFEDSA-N 472.928 4.662 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33764684 WWFWRYIWNBKNLP-CAPFRKAQSA-N 478.643 4.722 10 10 JJCE CCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 40562547 QHTBANQABWRZST-HKWRFOASSA-N 469.632 4.626 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1C 40867752 FFUKVBWGPCOLJM-HMAPJEAMSA-N 491.594 4.524 10 10 JJCE Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 102447067 JHZFEDDORLSDRT-SCORJZKRSA-N 476.949 4.532 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 210672860 KKNYPHOHVJLMGO-CXUHLZMHSA-N 452.479 4.554 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526146113 ZFDBFJTWPGODFQ-XMMPIXPASA-N 460.530 4.836 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526415441 FMGAZALCVNUOQW-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE 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O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 111441889 CAUHZNDABWGTCE-ZFGGDYGUSA-N 491.525 4.920 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226666707 HUAJTCFMISEHKP-VHSZZVNMSA-N 476.598 4.748 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727708672 ZLPLREIOQTXYEM-UHFFFAOYSA-N 490.510 4.812 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2ccc(F)cc2)c1 1860504508 COCZWAXWAXTUOA-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(C(F)(F)F)cc1 1860715365 VPCGJCXVHFAJKB-UHFFFAOYSA-N 451.670 4.945 10 10 JJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)c3cccc(C)n3)c2C(=O)OC)cc1 1865786185 LNEKRIWNXFIETN-UHFFFAOYSA-N 495.601 4.713 10 10 JJCE C[C@H]1COC[C@@H](C)N1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C(C)(C)C)n1 1868341588 WLYDDVPBWRUWEQ-CALCHBBNSA-N 470.573 4.907 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873423367 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JBJMPAQIILVTNY-UHFFFAOYSA-N 480.615 4.742 10 10 JJCE Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1 2314842138 BEQTVCUXUVSOHF-UHFFFAOYSA-N 498.626 4.859 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 2332115225 ZLINIQXPRRPPHS-UHFFFAOYSA-N 472.822 4.849 10 10 JJCE CCOc1ccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3741839 FPLOYKINDBREJX-UHFFFAOYSA-N 454.530 4.933 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)sc2c1CCCC2 21348786 NLIUSVQYZMXKRU-AWEZNQCLSA-N 460.983 4.757 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 33417747 BXKJBJYOBOLLPK-XMHGGMMESA-N 455.561 4.777 10 10 JJCE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478216 JQBUVPRSWKCDCL-FYJGNVAPSA-N 480.659 4.604 10 10 JJCE CCOc1cc(Br)cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c1O 38172474 FBBTWBGRUZNVTE-SXGWCWSVSA-N 459.296 4.677 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3nsc4ccccc34)CC2)cc1 64972716 NIIPWJRINUKTIN-UHFFFAOYSA-N 472.570 4.520 10 10 JJCE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c1 526158873 UVFZUBWNQSUXLD-AREMUKBSSA-N 489.524 4.961 10 10 JJCE Cc1cccc(C(=O)N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c1 1081112851 VNJOIQNUKJWCFM-GDNBJRDFSA-N 465.337 4.641 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(OCCC)nc1 1705546167 COQQNOLAGAQQBQ-UHFFFAOYSA-N 454.578 4.654 10 10 JJCE CCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867373718 QTFZBZPNPQKXFJ-DQEYMECFSA-N 485.072 4.648 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868691317 JLQNAKPEAQMKCU-IXCJQBJRSA-N 479.665 4.623 10 10 JJCE CC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287851 XELXEFMKPYDEGU-CIAFOILYSA-N 468.600 4.764 10 10 JJCE O=C1NC(=S)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296939563 VTZGPPSFOWXOEH-UHFFFAOYSA-N 488.012 4.730 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=O 2313559910 BEPKXYWUEBQXCV-UHFFFAOYSA-N 451.276 4.718 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 2314831502 MLECYSMOQBPUKY-UHFFFAOYSA-N 486.615 4.810 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3c[nH]c4ccc(OC)cc34)SC2=S)N(C)C)cc1 2323879996 FEIHCFIGLCPVTH-NRFANRHFSA-N 467.616 4.689 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 2324357091 RNOHRBNGOUYLEG-LJAQVGFWSA-N 496.655 4.867 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H]2F 2358239095 IEGWCQPZOLOGNJ-SYAUCNOPSA-N 463.775 4.776 10 10 JJCE COc1ccc(-c2nc(NCCN3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1 9527043 DWGUANVNSLIYHX-UHFFFAOYSA-N 469.589 4.548 10 10 JJCE CN(C)CCCNc1cc(N2CCN(c3ccccc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612344 HUGJBFBFTYNLEL-UHFFFAOYSA-N 481.600 4.729 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 14471526 YRUYYGDCSOSZCM-FXSPECFOSA-N 475.570 4.942 10 10 JJCE CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(Br)c3)C(=N)N2O1 20236777 LGEIZEIGWXWHRB-GUOILJMFSA-N 482.334 4.666 10 10 JJCE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C 33725682 ILVNNMULWDNRLI-JAIQZWGSSA-N 461.449 4.747 10 10 JJCE COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)c1 59859903 SXGZBERMLJILGY-GDNBJRDFSA-N 459.296 4.590 10 10 JJCE COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 83311739 QLKYNXRXMOPLQM-AQTBWJFISA-N 499.350 4.921 10 10 JJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 205956344 DSSOXIMITKKCCN-CJLVFECKSA-N 456.458 4.518 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 213162814 TXUJDYGXHYRCME-UNOMPAQXSA-N 465.600 4.961 10 10 JJCE CC(C)CCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699044 KHXXWGLOLKFDHQ-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE CCCOC(=O)[C@H](CC)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848926 MFOHGLBGTLDJCP-FQEVSTJZSA-N 487.512 4.612 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 1860827171 UNNAHQKQVFJJOT-UDWIEESQSA-N 481.555 4.664 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865672041 WZICXOOLQBQHRG-KGENOOAVSA-N 460.917 4.950 10 10 JJCE CCCCCOC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870844202 HIMGBGROTAIEOR-UHFFFAOYSA-N 493.604 4.699 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4cccc(C(=O)OC(C)C)c4)cc3)CC2)cc1 1872884124 MCEZTWDWDIINRD-UHFFFAOYSA-N 487.600 4.835 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2079013739 PRWJMQWOODVRLK-LJQANCHMSA-N 452.336 4.651 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079036654 ZSAVYHTZWHJALH-CQSZACIVSA-N 496.267 4.943 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079977568 OFDLNZKVURJDNX-GOSISDBHSA-N 466.319 4.775 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1=Cc1cc(C)n(-c2ccccc2)c1C 2294037460 HULSLQWEKZWNPH-UHFFFAOYSA-N 472.541 4.989 10 10 JJCE COc1ccccc1OCCOc1ccccc1C=C1C(=N)N2N=C(c3ccccc3)SC2=NC1=O 2297335678 NIYZWSPCVOMSPJ-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468075 IYOPSDLYZKBKGX-UHFFFAOYSA-N 487.928 4.622 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1OC 2314836990 MRWCPQVUBRPCBO-UHFFFAOYSA-N 484.643 4.782 10 10 JJCE Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c(C)c1 8608557 BCJDTHOAEVWTPQ-SANMLTNESA-N 463.647 4.760 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14471524 YRUYYGDCSOSZCM-UMFSSWHCSA-N 475.570 4.942 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc1)CCCC2 20532485 DOIGAPSJZHXJLL-UHFFFAOYSA-N 470.661 4.602 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)SC1=S 39835648 XZFLDKAJKQKZNX-CAPFRKAQSA-N 495.626 4.677 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOCCOc4ccc(C)cc4)c3)C(=O)N=C2S1 102966142 XOKIWKSCWCYYDF-NHEADELISA-N 492.601 4.889 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccccn4c3=O)SC2=S)cc1 102988642 CVQCTAPTMSWNSH-DEDYPNTBSA-N 488.594 4.609 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3ccc(OCc4csc(C)n4)cc3)CC2)cc1 209666766 ZRMFWWXPMGNLSE-MLPAPPSSSA-N 463.603 4.791 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 251375601 RTGWGBLORGYGOY-QYNSMDLWSA-N 470.591 4.524 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526145887 XPRJFROIZFQEMJ-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 1084138964 MXLCJNVJSKQTGI-BOPFTXTBSA-N 496.947 4.898 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1084387086 ZUTHFDRTKLWYQZ-AQTBWJFISA-N 471.351 4.911 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2cccc(Br)c2)o1 1084498453 JYNSDZVOFLXQNP-PTNGSMBKSA-N 471.307 4.680 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)c1c(C)noc1C 1705574888 QYGBCLZCSZIQSO-IBGZPJMESA-N 466.589 4.834 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(O)cc4)c4ccccc34)[C@@H]21 1860345033 OTFWARMYPYXJOI-HHHXNRCGSA-N 466.541 4.523 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C3CCC3)C2)sc(C)c1-c1ccc(C)cc1 1860662201 TVTSILRHJZHTAG-IBGZPJMESA-N 454.592 4.796 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 1871343482 OKYIAOGNUYAGMD-UHFFFAOYSA-N 480.995 4.613 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5ccccc5)[nH]c4c3)CC2)cc1 1872824694 IBYQYZIHFSQLMS-UHFFFAOYSA-N 458.587 4.826 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)CC)C1=O 1873170183 QLZBZQXCJPMIPP-LJQANCHMSA-N 451.611 4.769 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418645 SDSZDVSANODSKX-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2079003558 BWPCALIOSKKWAB-HNNXBMFYSA-N 468.335 4.945 10 10 JJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294118682 OOWSJPSYSSDHEV-GFCCVEGCSA-N 477.742 4.946 10 10 JJCE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1 2296882021 GWAFCBOOULFUHW-UHFFFAOYSA-N 489.644 4.638 10 10 JJCE C[C@H](C(=O)O)N1C(=O)C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2313617647 WSKRUZNUXFQXAF-SECBINFHSA-N 479.366 4.589 10 10 JJCE CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2cc(C)cc(C)c2)SC1=S 6470464 IRHHNWUMYZQPLZ-DEDYPNTBSA-N 458.561 4.891 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 9589097 XONWRYZKNVVAAV-XDJHFCHBSA-N 490.519 4.900 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)CC)C1=O 33707033 LHXUHAAOUZZUOU-KXGFGANYSA-N 458.653 4.629 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCCC(C)C 40937769 OBGRQMAIIGLPGO-XNTDXEJSSA-N 488.425 4.559 10 10 JJCE Cc1ccc(-c2nc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1 103802771 AYSWWDMQSNLJSG-QIYXJHPLSA-N 462.600 4.623 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226694514 QEFIMCBGTKFIDD-SWYRRKHMSA-N 482.602 4.622 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c1 526157288 HCWUTLNNZVDDTF-RUZDIDTESA-N 475.497 4.715 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC[C@@H](CN2CCCCCC2)C1 728530317 KIKNEUBNBREWMY-JIVYGXRASA-N 491.748 4.844 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCOC[C@H]1OC 1705869648 AOZQGUQQXJEDNM-RCZVLFRGSA-N 461.610 4.583 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 1860345044 PPVMCXGWUKQRLG-UHFFFAOYSA-N 496.596 4.722 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCc2ccccc2C1 1860345219 UWHNQYWQUUSHPW-UHFFFAOYSA-N 474.564 4.549 10 10 JJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679532 RJWLTCGBSRUSSF-LDADJPATSA-N 491.887 4.863 10 10 JJCE CCOCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168040 HIJZNEOPWMUQRA-JOCHJYFZSA-N 471.601 4.951 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873168612 BWMACRXLPQMCJL-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE CCc1c(C2CCC2)nn(Cc2cccc(Br)c2O)c1I 2079837062 PXSLBASAVBHQLR-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE COc1ccc([C@H](n2nc(C(C)C)c(C=O)c2I)C(C)(C)C)c(O)c1 2080000159 PZBNDKUQOGCVNA-KRWDZBQOSA-N 456.324 4.773 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080011928 HWJNWFSHTGBXNE-IBGZPJMESA-N 496.345 4.646 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 2293653499 XAQMTKGOMZBPPT-UHFFFAOYSA-N 499.936 4.865 10 10 JJCE Cc1ccccc1N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 2296672290 VNRIXIKDKVUORN-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C 2297499980 BSNVWWVNTYZDTK-UHFFFAOYSA-N 469.570 4.965 10 10 JJCE O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c1 2314650434 GQRYDHBLAMZYNT-LJQANCHMSA-N 465.508 4.672 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 2314754766 AWJBSXAIRRWZJS-UHFFFAOYSA-N 474.648 4.918 10 10 JJCE COc1ccc(Cl)cc1-n1cccc1/C=C1\C(=N)N2N=C(c3ccccc3F)SC2=NC1=O 32964288 ZLOXKYLQGVHOPP-HUHZMVLRSA-N 479.924 4.946 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 33313334 BRVGQSXYJLHHQJ-RCCKNPSSSA-N 488.515 4.897 10 10 JJCE CCOc1ccc(C(C)(C)C(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 34914288 WYUNXZRRQBXGQL-LHLOQNFPSA-N 496.611 4.790 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2F)C[C@@H](C)O1 727307606 QZVUVZMHGAWNAP-HDICACEKSA-N 482.625 4.582 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 1084184829 BEPBAUMWFATEET-PDGQHHTCSA-N 465.303 4.992 10 10 JJCE Cc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)cc1Cl 1859616341 AQDIKNPKKKNWRR-UHFFFAOYSA-N 483.911 4.530 10 10 JJCE CSc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860343444 APVZZEAXQWIZIN-UHFFFAOYSA-N 466.566 4.935 10 10 JJCE Cc1ccc([C@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866948841 HXJATMXTTHNTOY-MHECFPHRSA-N 468.553 4.653 10 10 JJCE CC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867092901 WTRGZGOFUBLCAX-QHCPKHFHSA-N 496.563 4.575 10 10 JJCE CC(C)OCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871265286 NNSJFDXTSMARJL-UHFFFAOYSA-N 465.594 4.780 10 10 JJCE O=C(CCn1ncc2cc(Br)ccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1871333004 AGRQGYCRWPFECK-UHFFFAOYSA-N 474.314 4.603 10 10 JJCE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1963190708 NEGVFLFHUICALK-CLYVBNDRSA-N 488.584 4.710 10 10 JJCE O=C1C(=Cc2ccco2)SC(=S)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2296740362 ZEZULCRDTYLZFK-UHFFFAOYSA-N 475.639 4.846 10 10 JJCE COC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2297458017 CMVOBYALBXTOFG-ZDUSSCGKSA-N 492.416 4.791 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(SC)SC3=NC2=O)c1C 2297470273 CTANLXQUCSCROB-UHFFFAOYSA-N 459.984 4.696 10 10 JJCE CC(NCc1ccc2c(c1)OCO2)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682612 HGSOYWRYBVBKKX-UHFFFAOYSA-N 468.538 4.840 10 10 JJCE CN1CCN(N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)SC2=S)CC1 2314489684 VJSGVBOEPUBKLO-UHFFFAOYSA-N 496.061 4.556 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccc(C)cc1 2314769950 XGQKRDZNNJMRPT-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)SC1=S 2326944755 NKUUVJJKVWZPHG-UHFFFAOYSA-N 493.393 4.586 10 10 JJCE CCCOC(=O)[C@@H](CC)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945439 UTOSUNUQCPKIAL-QGZVFWFLSA-N 474.604 4.612 10 10 JJCE O=C1N=C(O)/C(=C\c2cccn2CCCOc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 2594553 SEJNPJASPYAPJB-XSFVSMFZSA-N 453.882 4.706 10 10 JJCE O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 3071262 RJPPHAWFDQCJBM-HHHXNRCGSA-N 464.521 4.827 10 10 JJCE Oc1c(CN2CCOCC2)cc2ccccc2c1-c1c(O)c(CN2CCOCC2)cc2ccccc12 19862242 NCHLIVITEDACPE-UHFFFAOYSA-N 484.596 4.736 10 10 JJCE COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1Cl 32964284 YERGGWGBOWDYLS-JRTRTLMXSA-N 479.924 4.946 10 10 JJCE Cc1cc(Br)c(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)cc1C 59860145 WBJXFFRZBLQFME-GDNBJRDFSA-N 487.310 4.547 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526542230 PRGITCGPHRPLCO-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE COCCN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565538635 IXIDQRIDUYJOEL-BVAGGSTKSA-N 476.617 4.879 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862136226 TZGNWNCIMMNAPT-AREMUKBSSA-N 481.637 4.512 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864009776 DISNMOSBIGWLTC-RUZDIDTESA-N 498.583 4.746 10 10 JJCE CCCC[C@@H](NC(=O)CCc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866595171 GYJJZXVYEFHESJ-XMMPIXPASA-N 486.543 4.847 10 10 JJCE CCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165836 WWKVSNJKIMONAL-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1 2293116080 YXVJXBSBJKVGMU-UHFFFAOYSA-N 486.524 4.518 10 10 JJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2296539258 JWRNFZPLWHUJBO-UHFFFAOYSA-N 497.617 4.963 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 2297335479 IMBGCZDJUKFKLM-UHFFFAOYSA-N 465.980 4.694 10 10 JJCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 2297362136 SPVTZEVKYRWLRU-UHFFFAOYSA-N 483.307 4.944 10 10 JJCE COCCN1C(=O)C(=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 2323767283 XQCKRDYHVGRACD-UHFFFAOYSA-N 463.934 4.978 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)c1 9597238 ZPXOTTBRQRSYEM-SIKLNZKXSA-N 452.308 4.801 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15046536 WSIKDZBACWQTNF-OKHBPPCESA-N 452.479 4.639 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C 33332236 WQQSEGUFQCEWGY-NDENLUEZSA-N 493.357 4.807 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)OCC)cc4)o3)C(=O)N=C2S1 33424294 QRTQYQURLLSJCW-ARFHJRQPSA-N 450.520 4.933 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 206457935 WKXTXQKULIOGDZ-RCCKNPSSSA-N 471.600 4.819 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526365678 BAXSYDMMFDGSAV-SANMLTNESA-N 473.573 4.893 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918782315 GDJDAAXEIHDMPG-ZROIWOOFSA-N 472.535 4.983 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)CCCN2C 1705483193 PFSYRYYCMRQMKI-HNNXBMFYSA-N 470.440 4.658 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CC[C@@H](C(C)(C)C)C2 1866047319 CFKNRNVEHCVWNK-ZWKOTPCHSA-N 468.619 4.673 10 10 JJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Br)cc1C(F)(F)F 1891723005 GYWWLLNSXFNLCV-YOEHRIQHSA-N 489.357 4.935 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078994044 KXHDNMIXCPEJGH-GOSISDBHSA-N 480.346 4.945 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080043173 QMHAFVORVOSFCQ-QGZVFWFLSA-N 451.361 4.833 10 10 JJCE N=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 2293140534 WZZUWCLPKUCSBO-UHFFFAOYSA-N 453.449 4.871 10 10 JJCE CN1C(=O)C(=Cc2cc(Br)ccc2OCCOCCOc2ccccc2)SC1=S 2297306619 FMYVGJXNBWMFJV-UHFFFAOYSA-N 494.432 4.755 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 2313558007 QSVYLUSQVIQURR-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(F)cc1 2314827556 HLPPGXFRCFEVFS-UHFFFAOYSA-N 465.369 4.818 10 10 JJCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1)C(=O)O 2314930350 BNXHRNBVZBBMOP-NSHDSACASA-N 453.463 4.963 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2532966 OLSPTUWODHITJH-QURGRASLSA-N 479.627 4.660 10 10 JJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 33470198 MDYLWAHTKMMPCW-DEDYPNTBSA-N 472.680 4.532 10 10 JJCE Cc1cccc2cc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732796 KNIHYQUYIROHSE-QNGOZBTKSA-N 494.686 4.779 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475589 VTHVDFVHSSHDAH-LICLKQGHSA-N 451.366 4.509 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 103564920 SVPOYUQTESGURV-GBEVANGZSA-N 478.574 4.818 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Br 1083902086 RRYZVHJJSJERHN-PDGQHHTCSA-N 482.309 4.662 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCOCC2(C)C)n1 1868387089 QRMOKSQNIBQHAI-UHFFFAOYSA-N 456.546 4.563 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)c(C)s5)CC4)nc(C)n3)CC2)cc1 1869289942 KTGRRSBTTNDEMW-UHFFFAOYSA-N 478.666 4.578 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3cccc(C)c3)CC2)cc1 1870352376 RKAWPJXBJWFRKG-UHFFFAOYSA-N 489.660 4.961 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CC4CCCCC4)c3)CC2)cc1 1874721501 WDCKUNNBXBVFAJ-UHFFFAOYSA-N 463.622 4.999 10 10 JJCE Cc1c(C(=O)O)sc2nc(C(=Cc3ccc(N4CCOCC4)cc3)c3ccccc3)nc(O)c12 2040483326 RTVPCPDPMLTCQE-UHFFFAOYSA-N 473.554 4.829 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079034573 OOEPROGWLWJVKK-LBPRGKRZSA-N 456.324 4.585 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)cc1C 2079998698 BSIJTJGVSPFQER-KRWDZBQOSA-N 480.346 4.949 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(C=O)c2I)cc1C 2080000924 AOSPASZKZXFEEB-KRWDZBQOSA-N 450.320 4.674 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCCN2C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106862342 SYIQQSPUJGVOPG-ZCYQVOJMSA-N 453.627 4.830 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2296706736 MFDKMMPDBCXAKC-IYBDPMFKSA-N 482.675 4.629 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(Cl)c4)n(C(C)(C)C)n3)CC2)cc1 2331397145 MJNRYGWUVLKICL-UHFFFAOYSA-N 495.027 4.674 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 15046624 RCCMRDQBZQHNAM-NJPLLEPOSA-N 466.506 4.942 10 10 JJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989895 AKAYQQPKAXVUAT-ZHZULCJRSA-N 470.664 4.573 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 59303277 IFDDVBGKKAHKFJ-PDGQHHTCSA-N 470.710 4.560 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 96591871 JMYHZCZQDXQUND-QNGOZBTKSA-N 478.932 4.576 10 10 JJCE CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)sc2c1CCC2 103729340 BUGUENGYFITOOU-LFIBNONCSA-N 474.380 4.895 10 10 JJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210718465 IWVADFOMTZQISN-DEDYPNTBSA-N 451.573 4.797 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 1084462825 YSGHYGSWEXWSJQ-MOSHPQCFSA-N 461.499 4.557 10 10 JJCE CC(=O)N1CCCN(Cc2cc(Br)cc(Br)c2O)c2ccccc21 1308804070 YHXXKFJZMMLKEQ-UHFFFAOYSA-N 454.162 4.680 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nc5c(s4)CCCC5)c4ccccc34)[C@H]21 1860347473 QXMSMGHPGKOGNH-SANMLTNESA-N 497.624 4.762 10 10 JJCE COC(=O)c1ccc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccc(OC)cc2)cc1 1865675548 NJWIDLNOCGGFAK-HZHRSRAPSA-N 460.917 4.965 10 10 JJCE CCCCCOC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870843906 BLNSMTSKRKARPQ-OAQYLSRUSA-N 493.604 4.697 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418683 UPCACYLSMHQAQW-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 2194931319 TXQZNICFLUYTJA-FKIGELJASA-N 464.654 4.530 10 10 JJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2296390166 XMPKANNDDJYGIC-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)ccc1Br 2313631762 ZUGYYBXRUZWCCE-UHFFFAOYSA-N 484.394 4.960 10 10 JJCE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314831031 AVKSSWVUCKFXMD-UHFFFAOYSA-N 489.446 4.736 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332115170 VFSMWRQJHZRFAE-UHFFFAOYSA-N 458.514 4.551 10 10 JJCE CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O 8644252 AXSQGBZHBCJUQF-SANMLTNESA-N 481.499 4.736 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2)N1CCc2ccccc21 13639853 RVULWGKMUQNUID-BVFVYWQFSA-N 460.555 4.676 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 33417421 XRZFKJRFDLKSDM-LTGZKZEYSA-N 454.617 4.725 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 33417578 CYCGDWJGGTWCBM-CJLVFECKSA-N 450.629 4.678 10 10 JJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(=O)O)C3=O)oc12 33515826 MUBWXVDBZFXUHW-YBFXNURJSA-N 491.550 4.580 10 10 JJCE O=C1N=C(O)/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Br)cc1 59198141 NEWJHOJUYOAZNI-SDQBBNPISA-N 456.079 4.968 10 10 JJCE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 109037086 XKMUAMYCBDLYSN-CJLVFECKSA-N 476.558 4.523 10 10 JJCE Cc1cc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)n1-c1ccc(Br)cc1 109799043 GSSGWRURHNKEFV-KRWDZBQOSA-N 474.443 4.870 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 210497866 BJFQVVBKJHZDOE-GZTJUZNOSA-N 464.515 4.532 10 10 JJCE CC(=O)c1cc(F)cc(CN(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)c1O 1169855175 YLYXNNUIDRKILZ-LJQANCHMSA-N 450.348 4.986 10 10 JJCE CCOc1cc(C)c(-c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1C 1858352967 ITBGCXQGVPMRNB-UHFFFAOYSA-N 484.600 4.988 10 10 JJCE CC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865673003 PWIMBKDVVBQSCR-VIZOYTHASA-N 468.120 4.858 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@@H](C(C)(C)C)C2 1866040869 PIGGKLIHFMMTFF-HZPDHXFCSA-N 484.618 4.686 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CCCC2 1866258703 GTYSPYBDTCVEJN-AWEZNQCLSA-N 483.615 4.713 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(O)cccc3c2=O)sc(C)c1-c1ccc(C)c(C)c1 1866412270 UPBHXFYEQCJDPQ-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871267941 VWGKMMFRSLZAHK-UHFFFAOYSA-N 460.578 4.615 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCCOc5ccccc5)[nH]c4c3)CC2)cc1 1872825266 UYMZUJLKKKIRFR-UHFFFAOYSA-N 488.613 4.705 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873170062 NAKHSNUGSYBTGG-CPJSRVTESA-N 485.632 4.629 10 10 JJCE Oc1cccc(Br)c1Cn1nc(C2CC2)c(C(F)F)c1I 2079735944 LQUVJERAKMBPLN-UHFFFAOYSA-N 469.067 4.819 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4c[nH]nc4-c4ccccc4)S3)CC2)cc1Cl 2296938609 ZKLPMWFRZKUSCN-UHFFFAOYSA-N 463.994 4.831 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 2297321590 UEBLXNDGQGHTBR-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1O[C@H](C)C(=O)O 2314931732 ICQADYQPZPSNNR-LLVKDONJSA-N 494.388 4.715 10 10 JJCE Cc1ccc(C(=O)O)c(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2314936267 WEGPBRMONYLFSP-UHFFFAOYSA-N 492.525 4.525 10 10 JJCE CCCn1cnc2sc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1=O 2921666 VAQJDTYPSGOXGM-UHFFFAOYSA-N 464.591 4.678 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473539 FWUMVHNYNMJDQU-SCYDXJQRSA-N 453.926 4.984 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15046364 HYBBQWNHPGSPLV-MQHRVFIMSA-N 481.368 4.522 10 10 JJCE CCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 33727041 WAZLTGDUSFLVMC-CPNJWEJPSA-N 464.616 4.535 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])CC2)cc1 40611210 VSLSLZLRYHICHH-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)OCC)C1=O 40938175 ROBDGTSZUZQNPM-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(N(C)C)cc1 54641788 RMSPJXZDSPSZKX-NRFANRHFSA-N 467.570 4.628 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 208742105 BSLFCQSRBBFBLH-XDHOZWIPSA-N 499.639 4.934 10 10 JJCE Oc1ccc(CNc2c(Br)cc(Br)cc2Br)c(O)c1O 236592172 NMHJYJNOECNISY-UHFFFAOYSA-N 467.939 4.703 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(C)cc2)[C@@]12C(=O)Nc1ccccc12 503996147 TTXBHBPHACKKMI-TXQUNOLYSA-N 478.548 4.566 10 10 JJCE biogenic COc1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526144581 GEHRJPLJMAEOHA-VWLOTQADSA-N 460.530 4.836 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC(C)(C)C1 1705480083 RARCBHSHXSWZGF-NRFANRHFSA-N 458.654 4.933 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 1860749318 YLSWBFNPZUKQMW-UHFFFAOYSA-N 452.532 4.713 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861946008 HXQVPJHNGNSJTB-GPLAWQGUSA-N 490.003 4.568 10 10 JJCE CCC1=NN(c2ccccn2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865673006 PXMIJOPFPOREMN-XYOKQWHBSA-N 451.118 4.508 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc(C)c1-c1ccc(Br)cc1 1865866784 JAAYTGFQHYHAQP-CLROSIBMSA-N 490.375 4.734 10 10 JJCE COC(=O)c1c(NC(=O)C2(C(=O)O)CCCC2)sc(C)c1-c1ccc(Br)cc1 1866174652 DDJSAKHTVBQHAV-UHFFFAOYSA-N 466.353 4.856 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866262149 LPQFBXUEWZJOBF-ZJUUUORDSA-N 454.342 4.568 10 10 JJCE CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839167 MIZALMHLIGRWQO-BXKMTCNYSA-N 486.543 4.703 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CC4CCCCC4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969668 IGIUJYLGKRFUJR-UHFFFAOYSA-N 488.636 4.820 10 10 JJCE CCCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872957030 UNIJUCFYOZYBOC-UHFFFAOYSA-N 458.514 4.894 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1O 1952830583 XMULRUQUNZTWKX-REWPJTCUSA-N 474.469 4.697 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C 2293110793 WQQSEGUFQCEWGY-UHFFFAOYSA-N 493.357 4.807 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296706735 MFDKMMPDBCXAKC-HZPDHXFCSA-N 482.675 4.629 10 10 JJCE O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc(Br)cc1 2297322495 LROMZPPDBGKTEQ-UHFFFAOYSA-N 456.148 4.587 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 2297340404 CCXKYEFMTVQTDH-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE COc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331595164 UNFPHEPXTNCEGZ-UHFFFAOYSA-N 456.589 4.570 10 10 JJCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O 808969 PGIYQDZDRTXNRV-NDENLUEZSA-N 451.324 4.763 10 10 JJCE C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)C1=O 10913825 YEWYXSSHIYJZMX-WHLCRQNOSA-N 466.537 4.955 10 10 JJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C(C)C)C1=O 102996972 YBZBPMHSOXNHLF-LDADJPATSA-N 451.573 4.713 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 206725665 NWQMPJAHWVDNBS-DEDYPNTBSA-N 478.599 4.507 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 226829799 SGPCBMCCHDUNDU-FHAGJXEFSA-N 493.541 4.936 10 10 JJCE Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1C 1860505748 PAYMJBBLCRQDHC-UHFFFAOYSA-N 475.504 4.978 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)sc(C)c1-c1ccccc1 1860629495 POHVFBOAIXVDGG-UHFFFAOYSA-N 477.586 4.786 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(Cl)cc2)sc(C)c1-c1ccccc1 1860760094 SCTFFYZKPDMCSV-UHFFFAOYSA-N 456.951 4.809 10 10 JJCE CCc1sc(NC(=O)C(=O)NC2CCCC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763327 FLURPURZDINGJC-UHFFFAOYSA-N 479.396 4.524 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679772 FZAOADYXDVXLSF-CIAFOILYSA-N 478.932 4.902 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865866787 JAAYTGFQHYHAQP-WRFANHODSA-N 490.375 4.734 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCNCC2)sc(C)c1-c1ccc(Br)cc1 1865872065 HAZBOTRKLPTDRQ-UHFFFAOYSA-N 451.386 4.601 10 10 JJCE Cc1cc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cccc(Br)c2n1 1866277824 LHAMKSWEBTYTCZ-OAQYLSRUSA-N 478.394 4.625 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(C)cc4)c3)CC2)cc1 1874722427 WTBNWCYTSYGMDM-UHFFFAOYSA-N 471.601 4.580 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cccc1[N+](=O)[O-] 1953032072 WOAYLKCZRXLSKJ-NTKDMRAZSA-N 474.469 4.697 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079046690 CZNPAARXWDBZSQ-CQSZACIVSA-N 467.273 4.615 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079064151 UPSYJTWBTSJIDE-CQSZACIVSA-N 478.277 4.861 10 10 JJCE COc1cccc(OCCOc2c(Cl)cc(C=C3SC(=S)N(C)C3=O)cc2OC)c1 2293692943 XJUGLVBFPQMSCM-UHFFFAOYSA-N 465.980 4.646 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1 2294204928 UXLQGOVZXWOLIM-UHFFFAOYSA-N 450.541 4.661 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2296537546 WJUBETZDMFZLKT-UHFFFAOYSA-N 496.522 4.817 10 10 JJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2296756783 DKLLCDOIGWYWNH-UHFFFAOYSA-N 476.710 4.708 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 2296968834 HEKIOWVJDJNMTG-UHFFFAOYSA-N 465.579 4.921 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 2297344681 IYSOCPQCIUQCAH-UHFFFAOYSA-N 493.545 4.992 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OC)c(OC)c1 2297617144 POBGEBOAHHHEOC-UHFFFAOYSA-N 472.335 4.734 10 10 JJCE CC1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2314648322 VZMYPJRFROAEAU-LJQANCHMSA-N 453.633 4.851 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S 2314933436 BJFQVVBKJHZDOE-UHFFFAOYSA-N 464.515 4.532 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 33932671 SYJYBGKCTMSMKU-SFQUDFHCSA-N 461.406 4.988 10 10 JJCE O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1ccccc1 90624310 ABFRVCBEFIRKPW-UHFFFAOYSA-N 456.523 4.971 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 210501848 WJBIIIXZRYKFTI-NBVRZTHBSA-N 465.593 4.557 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(Br)cn2)sc(C)c1-c1ccccc1 1860747723 UECMPZCHYOXZAY-UHFFFAOYSA-N 488.363 4.635 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1-c1ccc(F)cc1 1860758121 BLMQTOCFCZUDBW-CQSZACIVSA-N 454.523 4.855 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)n(CC(C)C)n3)CC2)cc1 1862340763 XSLZFJYIUMPLFK-UHFFFAOYSA-N 452.986 4.831 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865035252 PFKLFJAHAQNQQX-JOCHJYFZSA-N 484.641 4.636 10 10 JJCE CC(C)(C)c1ccc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2c1 1866517700 DOFIXMPWNHUSHX-UHFFFAOYSA-N 450.494 4.853 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868710520 UQAXPAJKLHOEAJ-DEOSSOPVSA-N 483.628 4.516 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3nc(-c4ccccc4)sc3-c3ccccc3)CC2)cc1 1871284793 PHUJPSXNXVZOEJ-UHFFFAOYSA-N 491.638 4.997 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873165055 AACUYDUXFRAJRV-UHFFFAOYSA-N 485.628 4.821 10 10 JJCE COc1cc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951739826 OUDGUXGLGVQELY-MRXNPFEDSA-N 477.513 4.594 10 10 JJCE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2ccccc21 2296714224 LABCCRJRWNOTQG-UHFFFAOYSA-N 491.638 4.803 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 2297316360 FAGUBAKOHOWKCY-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC 2313549327 SZKKMDXPTPZFNY-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@H](c3ccc(OC)cc3)C2)cc1 2314952254 YJNZDUMLURBCKI-QHCPKHFHSA-N 470.554 4.920 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(CC=Cc2ccccc2)CC1 2330189197 YIMNQRUGJQCYQS-UHFFFAOYSA-N 479.625 4.650 10 10 JJCE O=C1Nc2ccccc2/C1=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 3646619 ZSHYBQQROFESHU-ODLFYWEKSA-N 450.336 4.519 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 15046569 YDSKSPFTCTZMLU-HIPMGEKLSA-N 496.532 4.951 10 10 JJCE O=C(Nc1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2s1)C1CCCCC1 15870232 SBTHCBNFSGBLGI-UHFFFAOYSA-N 473.605 4.621 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)O 95926301 ATGFLGXHLYDLJD-ATVHPVEESA-N 476.601 4.552 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4sc(C)nc4c3)C2)sc2c1CCCC2 170580021 JZSSRWAYWKVRSJ-CQSZACIVSA-N 483.615 4.713 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCCOC(C)C)cc1 205961022 IYFAPMCOSMRRLH-OQKWZONESA-N 464.591 4.735 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)SC1=S 206718104 IQZYGDJIWZODCL-XMHGGMMESA-N 451.610 4.807 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 207316707 DLBBRNPMVBOPHN-LFIBNONCSA-N 470.601 4.645 10 10 JJCE O=[N+]([O-])c1ccc(N=Nc2sc(N3CCOCC3)nc2-c2ccc(OC[C@H]3CO3)cc2)cc1 254616294 NGIPFJWRIGNBDR-IBGZPJMESA-N 467.507 4.748 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526302533 RKHRYPSINRMEQJ-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526325439 CQHZAQGISPYUST-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526375895 FEFKTPSBRSNHIU-RUZDIDTESA-N 477.513 4.961 10 10 JJCE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 1084147040 JKNNAFZIYODMBU-UNOMPAQXSA-N 451.885 4.895 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](C)C(=O)O)C1=O 1858588538 KYINRRIAEJSZLR-HRRMIQFSSA-N 477.917 4.804 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425593 HCICARNGLUCTKO-UHFFFAOYSA-N 488.544 4.621 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079003788 GJMCXQVMMBLSBP-LBPRGKRZSA-N 454.308 4.555 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079024019 XPZYGBWDOOSHHC-QGZVFWFLSA-N 482.362 4.975 10 10 JJCE CCOC(=O)c1sc(NC=C2C(=O)N(c3ccc(C)cc3C)N=C2C)c(C(=O)OCC)c1C 2296740123 FTPUCZHWXUXUIO-UHFFFAOYSA-N 469.563 4.745 10 10 JJCE CCCOC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 2297465513 QTHXCOWOXQKRQX-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nnc1-c1ccc(C(C)(C)C)cc1 10802252 SAEYLWPWHFCKLQ-UHFFFAOYSA-N 493.677 4.712 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643840 UJDDTMOQAJLNAM-PLXFJCCSSA-N 451.636 5.000 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1 33778541 LAFOHQMWTIAMOP-UDWIEESQSA-N 495.651 4.891 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1 35131461 DFZSPYYUOSNLDT-JDQAAXRKSA-N 474.586 4.627 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCc1nc(-c2ccccc2)cs1 40324665 RHMCUSUZGBNHAS-BOPFTXTBSA-N 471.654 4.779 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 96450540 VGDROKVHOGTHFJ-SZRLJQQQSA-N 496.614 4.710 10 10 JJCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4C)c(Br)c3)C(=O)N=C2S1 101399760 YGGKAFOTYOTZTL-GICBFTDPSA-N 469.364 4.976 10 10 JJCE CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 102464999 PVFJTRARZQZCMZ-GQZADCKHSA-N 474.409 4.796 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1c(C)cccc1C 103704132 KRPZAWZPWQRPPA-GBEVANGZSA-N 463.559 4.937 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 206457243 DGKBKWQJYAXLCA-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 207317124 KHXNBJHFOPJNNK-LDADJPATSA-N 482.562 4.723 10 10 JJCE CCCCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(CC)cc1 586263438 FCXWRXRCXYUZSP-UHFFFAOYSA-N 475.566 4.937 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1cc(C)c(C)cc1OC 1857996891 MBJFUHJXXJYGTA-UHFFFAOYSA-N 473.526 4.735 10 10 JJCE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865933195 ZTMRCVDQTKMLDQ-VLIAUNLRSA-N 491.817 4.575 10 10 JJCE CNC(=O)COc1cn(Cc2ccccc2F)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871019364 OKDDBDFPZZFHSB-UHFFFAOYSA-N 486.547 4.516 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424397 DUICSKYHPGUWGP-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650720 SFTVCAKWHUEKAY-UHFFFAOYSA-N 484.604 4.656 10 10 JJCE CN[C@H](c1ccc(N(C)C)cc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2106851408 SWLRWJXNXPBDTK-XMMPIXPASA-N 452.643 4.573 10 10 JJCE CN(CC1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1)C(=O)OC(C)(C)C 2163173004 VTFYPWXIOTVCEI-UHFFFAOYSA-N 474.646 4.645 10 10 JJCE CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C 2294229249 AYAJAFOCFVIILT-UHFFFAOYSA-N 473.598 4.805 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=C(Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 2297466350 WSPAZTWHTDDRER-UHFFFAOYSA-N 463.541 4.730 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2297560507 JQIZWPJVGKYBAX-UHFFFAOYSA-N 488.308 4.993 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Br 2313558060 RRYZVHJJSJERHN-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314413693 FDBSKOJAQALRAR-QGZVFWFLSA-N 478.643 4.657 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414936 RJLLWLSIXUIOCV-UHFFFAOYSA-N 470.664 4.775 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)c1 2314506952 HLQBUBJCQKDPMM-UHFFFAOYSA-N 465.600 4.961 10 10 JJCE COC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2314741248 WXKWSJFPVBXFCA-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831717 QKMCIAKOSFDWLA-UHFFFAOYSA-N 471.560 4.701 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)ccc1O 2323882396 VTKAVZFFRLOTFF-IBGZPJMESA-N 454.617 4.829 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2509082 UCGLMXKTLMGAMO-ZIPFOMIPSA-N 486.018 4.695 10 10 JJCE O=C(CCc1nc(-c2ccncc2)no1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 14348746 CSWJMHJGHNVTLC-AREMUKBSSA-N 450.498 4.829 10 10 JJCE COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)[C@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 101016771 HHFJQLQARYXSPS-XCZPVHLTSA-N 490.003 4.937 10 10 JJCE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 102975736 LPVYRKRHRBEQIE-GZQZNAIASA-N 476.532 4.708 10 10 JJCE Cc1cc(CCNC(=O)Cc2csc(NC(=O)c3cccs3)n2)c(C)n1-c1ccccc1 746430594 JOSCFAFORJXTJQ-UHFFFAOYSA-N 464.616 4.766 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Cn2ccccc2=O)o1 1087055198 NBXGGSBHQAKLKP-MHZLTWQESA-N 450.494 4.868 10 10 JJCE CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)[C@H](C)Oc1ccc(N)cc1 1860083255 JKMPAMAIOGKKCK-HNNXBMFYSA-N 454.548 4.979 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865028415 UMFOGVXOUZFDOB-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE Cc1nc2ccc(N3C[C@H](C(=O)Nc4ccc(Oc5ccc(N)cc5)cc4)CC3=O)cc2s1 1866258676 FVHWPDWOJGTCQA-MRXNPFEDSA-N 458.543 4.971 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CCCC2 1866258704 GTYSPYBDTCVEJN-CQSZACIVSA-N 483.615 4.713 10 10 JJCE Cc1ccc(C(C)(C)CCC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1868136319 QXHWUFALBCXUTG-UHFFFAOYSA-N 468.553 4.583 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3nc(-c4ccccc4)oc3-c3ccccc3)CC2)cc1 1871284745 MNRQBMDVLZFGCQ-UHFFFAOYSA-N 475.570 4.528 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420468 ZONVOKLHTVXZII-OAQYLSRUSA-N 477.511 4.743 10 10 JJCE CCc1c(C)sc2nc(C(=Cc3ccc(N4CCCCC4)cc3)C(=O)N3CCOCC3)nc(O)c12 2040463604 GPQXFITYFVHSJE-UHFFFAOYSA-N 492.645 4.657 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079993498 SONJUUQESPBGAM-KRWDZBQOSA-N 486.350 4.747 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297345036 KACXODDSBZNIOR-UHFFFAOYSA-N 497.558 4.512 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 2313561117 VRMQGEBPWREMQU-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414342 WPRCTVCLCXSMKL-WIHSUSGWSA-N 470.664 4.993 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1C 2314767413 GKPMQGKFOBYXMY-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314836302 CNLMCXZFQKDEMT-LLVKDONJSA-N 452.479 4.639 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)O 2314931670 HHXRMBRZXSPXDG-UHFFFAOYSA-N 467.927 4.747 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139703 JBHQYRHIXIYYGE-UHFFFAOYSA-N 469.969 4.792 10 10 JJCE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)cc1 20356427 RAWWFCDJYNCYJD-SLWLXCFBSA-N 451.577 4.802 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S 40066450 SLPQHGZRKWBPQB-DKNZLLBESA-N 466.632 4.660 10 10 JJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC(=S)N1C[C@@H]1CCCO1 210032904 KRRRZIITMRIQHS-OZNZCJATSA-N 491.594 4.648 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@H]1c1ccc(N(C)C)cc1 526479451 CYNHVFHEIXVEJJ-RUZDIDTESA-N 488.540 4.614 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(F)cc1 1860747131 WEBSLXCKCIZRHH-UHFFFAOYSA-N 486.521 4.634 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862135226 DAHHIFGSZNFWPJ-GDLZYMKVSA-N 495.664 4.902 10 10 JJCE CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870635612 IWAPRDRJJPFZGT-UHFFFAOYSA-N 485.987 4.571 10 10 JJCE CCCNC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871134787 LEFIWQZEAJYXQD-UHFFFAOYSA-N 486.572 4.750 10 10 JJCE CC(C)OC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873979612 NUBMNFRNDYDCKT-UHFFFAOYSA-N 452.466 4.532 10 10 JJCE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(C(=O)OC)c1I 2079006658 GIKFBQNKYLOPEH-AWEZNQCLSA-N 454.308 4.555 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2295916654 VWZDTZHYRYPGHC-UHFFFAOYSA-N 454.573 4.567 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2296882381 RSOUTWHIVWJWGV-UHFFFAOYSA-N 477.991 4.994 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4C)c(Br)c3)C(=N)N2O1 2297347597 LMZYLJADBKXZIQ-UHFFFAOYSA-N 482.334 4.666 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1OCCC(=O)O 2314934608 IQJNTFRYMVNHQJ-UHFFFAOYSA-N 471.556 4.547 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 14475645 DEXMDWCHDHHQBO-YZIHRLCOSA-N 491.569 4.948 10 10 JJCE 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COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868679891 BFULZIJIGADDHX-PXJZQJOASA-N 491.676 4.685 10 10 JJCE CCC(=O)Nc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873949310 LRLZBCWMLZJCCC-UHFFFAOYSA-N 491.551 4.562 10 10 JJCE Cc1ccc(O)c(Cn2nc(C(=O)OC(C)(C)C)c(I)c2C(F)(F)F)c1 2079186508 VQFMAGYXVRBMGD-UHFFFAOYSA-N 482.240 4.524 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)cc1C 2080054842 WHRHIPJLCAJMNM-HNNXBMFYSA-N 460.262 4.950 10 10 JJCE CN1CCCc2cc([C@@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163109265 XMCXMZMWLJXVOH-RUZDIDTESA-N 465.638 4.662 10 10 JJCE CN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 2297467778 NXISTZFJEPAROZ-UHFFFAOYSA-N 464.355 4.625 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1cccc(C)c1 2297499225 HUBHNGOJLZOWHM-UHFFFAOYSA-N 494.034 4.962 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2313557459 DDANLRWFYRXDEH-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE 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O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 59679049 BWMPDQVBIIKLQI-PDGQHHTCSA-N 470.710 4.560 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 109939119 GQTGCFZLOKFRPS-FQEVSTJZSA-N 464.997 4.697 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526624977 OLNVDCAWNSHYDP-SANMLTNESA-N 472.541 4.534 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 1084042872 FJEAQVDKUVEUQK-HMAPJEAMSA-N 497.576 4.538 10 10 JJCE Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccccc1 1084508222 RGBDTGSQHCSAFU-HAHDFKILSA-N 453.473 4.804 10 10 JJCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705811647 HOSWZDRIXKEYGV-UHFFFAOYSA-N 489.668 4.949 10 10 JJCE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1O 1705817742 RABOSEVBEOKBIR-UHFFFAOYSA-N 455.603 4.701 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1c(C)cc(OC)cc1C 1857998113 WKEBMCXBEHVAFZ-UHFFFAOYSA-N 473.526 4.735 10 10 JJCE CCOC(=O)c1c(NC(=O)CN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866217865 RAOMTOOBYBRUPG-UHFFFAOYSA-N 496.972 4.717 10 10 JJCE Cc1cc(Br)c2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866454472 SHZLQRKEGRGLNU-UHFFFAOYSA-N 487.309 4.627 10 10 JJCE CNC(=O)COc1cn(Cc2ccccc2C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015441 GXBWXSIIFZUBPW-UHFFFAOYSA-N 482.584 4.686 10 10 JJCE CCCCOCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164235 RTYJIEPGRYTKAG-UHFFFAOYSA-N 486.616 4.566 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873167643 QNORBAOQIKLQKM-UHFFFAOYSA-N 497.643 4.941 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1O 1952828702 DFTWKHSWIMDQIM-QPPBQGQZSA-N 474.469 4.697 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CO)c2I)C2(C)CC2)cc1C 2079992706 HZKPDJIXKFGSCA-LJQANCHMSA-N 466.363 4.959 10 10 JJCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Cl 2294095091 IQASKLKSWGSKKS-UHFFFAOYSA-N 484.133 4.821 10 10 JJCE 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O=C1N=C(O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N1c1cccc(Cl)c1 2826771 CMTUIWHISZAAFQ-UYRXBGFRSA-N 482.901 4.614 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15046305 NPMJSMQTKNZVGC-OKHBPPCESA-N 465.369 4.817 10 10 JJCE Cc1ccc(OCCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1 33349826 QFZJLYHCCNZBSA-BWAHOGKJSA-N 451.526 4.880 10 10 JJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)c(OC)c2)SC1=S 33431395 YUVBGQVMZNJTGZ-GXANDWEQSA-N 499.610 4.560 10 10 JJCE O=C(O)c1cccc(-n2cccc2/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c1 34388635 CSSAYQKDDVFGIT-PDGQHHTCSA-N 451.891 4.501 10 10 JJCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989799 XWVOGPXHGPPJSS-YAFZODKBSA-N 484.691 4.674 10 10 JJCE O=C1[C@@H]2ON(Cc3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1C1CCCCC1 43254199 JYHMXYGDUORSPD-KCZVDYSFSA-N 475.372 4.874 10 10 JJCE CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccc(N(C)C)cc1 54617075 SFPXWBZDUBPGAI-JOCHJYFZSA-N 478.622 4.782 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCC(C)C)[C@H]3C2)cc1 96457187 RZOVCWUBYABFHV-ISKFKSNPSA-N 475.555 4.744 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2ccc(Cn3cnnc3)cc2)cc1 205965592 NSGXGZJOOYJVOV-XIEYBQDHSA-N 482.519 4.611 10 10 JJCE CC(C)[C@@H]1C[C@H]([C@H](C[C@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O 255963754 AZMFFFCHYNXWLN-NXNFSMPISA-N 456.543 4.505 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526184161 ASRQDWNQNXZXEM-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CCNC(=S)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860667992 QYQBDBSPRPNUHL-GOSISDBHSA-N 473.664 4.672 10 10 JJCE CCC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862254814 ZUXFNLGGAZNMRK-MHZLTWQESA-N 487.600 4.735 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865860008 GFJFBVRNXFBFBL-QFIPXVFZSA-N 470.525 4.537 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)C(=O)NC2CCCC2)sc2c1CC[C@@H](C(C)(C)C)C2 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2297366782 KKIRUFFSDICSQP-UHFFFAOYSA-N 466.378 4.881 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cccc(OC)c5)c(C)c34)CC2)cc1 10013133 YXIIVNXMRWGSJH-UHFFFAOYSA-N 489.601 4.596 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(c5nc6cc(C)c(C)cc6nc53)C4(C)C)CC2)cc1 33371284 CQTUVSUHMSAVDE-XZWHSSHBSA-N 484.644 4.933 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC)nc3c(C)cccn3c2=O)SC1=S 33492901 QBVAIZRQIYKIIG-CQUHBBLWSA-N 458.653 4.852 10 10 JJCE N=C1/C(=C\c2cccc(OC(=O)c3ccc(F)cc3)c2)C(=O)N=C2SC(c3cccs3)=NN12 96569924 ZTAKUHCUVVVSGU-NHJURWSASA-N 476.514 4.774 10 10 JJCE Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(C)n1-c1cccc(Br)c1 108785233 STVUBLWIOCVOSQ-SFHVURJKSA-N 473.396 4.556 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526469132 PUUUOENVWQYQRT-XMMPIXPASA-N 458.514 4.605 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526503213 BELSZWLGCALQBI-RUZDIDTESA-N 476.529 4.628 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526589008 ZNBHMDFPCGXLQE-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE COc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)o2)cc1 728837064 LMVQUGIHMLACBR-UHFFFAOYSA-N 461.484 4.940 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 1084584684 ZZADXHLFDIGLQC-ZHZULCJRSA-N 463.287 4.908 10 10 JJCE COC(=O)c1c(NC(=O)Cc2csc(-c3cnccn3)n2)sc(C)c1-c1ccc(C)cc1 1865785396 FDADSVKHVGLYQP-UHFFFAOYSA-N 464.572 4.913 10 10 JJCE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868708728 UVVZIUSPUQQZEV-SVBPBHIXSA-N 497.655 4.988 10 10 JJCE COCCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420390 LHOSQMPWJCARGF-UHFFFAOYSA-N 487.600 4.967 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(C(C)(C)C)c3)n4C)CC2)cc1 1873650147 DWPNUMFWIAEWHA-UHFFFAOYSA-N 498.631 4.853 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284092214 WYDHAPYENQOCRH-RUZDIDTESA-N 465.638 4.783 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 2293163804 CDNAVVBCIHGGDT-UHFFFAOYSA-N 499.936 4.865 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(Br)cc(OC)c3O)SC2=S)cc1 2297328052 DPXBWTDGMLJTOO-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 2297334651 LYQJKVHKVQOEGD-UHFFFAOYSA-N 486.174 4.596 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 2297347565 IOPUMMYNQOFVSA-UHFFFAOYSA-N 486.297 4.626 10 10 JJCE CCOc1cc(Br)cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)c1O 2297559786 IORXDRPPZPVIKQ-UHFFFAOYSA-N 464.406 4.997 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 2313561218 ZIYWMPXNYPKOAE-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)NCc1ccccc1 2314837376 ROEPXRXKPKJEDS-UHFFFAOYSA-N 469.588 4.673 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)N(C)C)cc1 2323879893 OGAINVYPIFIGMK-INIZCTEOSA-N 493.079 4.870 10 10 JJCE C[C@@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc2NC1=O 11858049 JNUMNQHLHFWQPM-ZDUSSCGKSA-N 457.577 4.628 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O 14459786 FHHKKTQPKSCQDQ-DFIYOIEZSA-N 462.571 4.706 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc(OC)c1O 16926494 KCYJMSVYVCWNFI-JXAWBTAJSA-N 467.609 4.816 10 10 JJCE Cc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C(O)=NC2=S)c1 33316176 YLAMHOYEPAPBLC-STZFKDTASA-N 472.522 4.944 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1Br 33400599 KRAOZZSVCBGNRN-QPEQYQDCSA-N 451.729 4.783 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCC)C2=O)cc1OC 40888450 XETNANSFHUSSQE-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE COc1cccc(-c2cc(OCC(=O)O)nc(Nc3ccccc3C(=O)c3ccccc3)n2)c1 73700883 NDDRRHHDLUASJM-UHFFFAOYSA-N 455.470 4.590 10 10 JJCE CC(=O)Nc1cccc2cccc(N/C=C3/C(=O)N=C(S)N(c4ccc(Cl)cc4)C3=O)c12 103097413 RFQUCJFINBYRLB-ATVHPVEESA-N 464.934 4.607 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 526632422 MEZWSMPCDWAFIG-JOCHJYFZSA-N 466.559 4.897 10 10 JJCE C[C@H]1Oc2ccc(N[C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc2NC1=O 913099074 GMLGKEMRQHRPNB-VFNWGFHPSA-N 455.474 4.565 10 10 JJCE Brc1cccc(-c2nnc(N3CCCC3)n2CCCSc2nccs2)c1 1538960339 ZCLDXEDBNZMMGD-UHFFFAOYSA-N 450.431 4.947 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)C1 1749788234 ZYRMMKVLVUYIOR-NRFANRHFSA-N 484.595 4.703 10 10 JJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(C)cc4C)sc3C)ccc21 1859572504 MEJLFWFZLWTRTP-UHFFFAOYSA-N 455.605 4.835 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762680 NMINTUBFIBYXCK-UHFFFAOYSA-N 496.585 4.562 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](C)[C@@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866261701 BEWRCIIEZCQSCX-WDEREUQCSA-N 468.369 4.958 10 10 JJCE CCCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871119497 RDBUNHHWMHTMOL-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE COCCCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420299 KVSXXQXOSNGBRP-UHFFFAOYSA-N 473.573 4.640 10 10 JJCE O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 2293152659 CMMANRANYLCHFH-UHFFFAOYSA-N 498.563 4.768 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 2293727272 SCFVAQAQOGGHAS-UHFFFAOYSA-N 456.498 4.639 10 10 JJCE O=C(CN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1ccc(F)cc1 2296538396 MGNROAZCBTYTOB-UHFFFAOYSA-N 495.601 4.715 10 10 JJCE CN1C(=O)C(=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S 2296731417 VTKNOGVHHDDXGD-UHFFFAOYSA-N 451.573 4.615 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C 2297357806 ZXUAEBWTYRFEBD-UHFFFAOYSA-N 490.943 4.898 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C(=O)N=C2S1 2297360126 MLTYXQXJOHASOG-UHFFFAOYSA-N 488.978 4.527 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2297469532 AWCNJQAZHSYJCB-UHFFFAOYSA-N 478.940 4.949 10 10 JJCE CC(C)[C@@H](C(=O)NC(C)(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297579968 BYWRTOQZGATABY-HNNXBMFYSA-N 455.443 4.590 10 10 JJCE Cc1ccc(COc2ccc(C=C3SC(=S)N(CC(=O)OCC(C)C)C3=O)cc2)cc1 2314740999 RIEITZAQOUINTI-UHFFFAOYSA-N 455.601 4.974 10 10 JJCE COc1ccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)cc1 33424561 ASKWKXPNPZOWFQ-LDADJPATSA-N 480.405 4.747 10 10 JJCE Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)n2)c1 65130992 NRQDDMDIKNPQAV-UHFFFAOYSA-N 496.615 4.706 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226690315 SYSWAMAKDPHWER-IMWIBFENSA-N 470.591 4.524 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677734 ZWXNOLLZDFDUQP-XQNSMLJCSA-N 477.605 4.833 10 10 JJCE CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867869160 VZYFOBVUNXMFJV-SVBPBHIXSA-N 492.708 4.902 10 10 JJCE CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871508410 AVCBIDKCXSUITE-UHFFFAOYSA-N 497.603 4.596 10 10 JJCE CCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873420970 AEBCSLUIMRYOJO-UHFFFAOYSA-N 486.616 4.555 10 10 JJCE CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)[C@H]1c1ccccc1 1891742727 HXCUQZHZDANZQO-LNNYYZMHSA-N 465.597 4.902 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1ccccc1C 2293571206 WSWCWHSOCMBZBQ-UHFFFAOYSA-N 480.405 4.713 10 10 JJCE COc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C2SC(=S)NC2=O)c1 2297335470 FEBVYWISKGYMDR-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE CCOC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2313617638 VCLMOLLOQJRGOC-UHFFFAOYSA-N 493.393 4.679 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O 2314768750 MPKBVLRCDIBUQS-UHFFFAOYSA-N 477.405 4.702 10 10 JJCE COc1ccc(C)cc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331592511 SEJAMHLWKBXCAV-UHFFFAOYSA-N 470.616 4.878 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2Cl)N3)CC1 14477572 XQGJUWNQPIJFCY-PMAPCBKXSA-N 478.445 4.756 10 10 JJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15045941 HUSSKWXPHSIMPQ-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(O)c(Br)c2)C(O)=NC1=S 33912966 DTZOLYXQXLHEBW-GHXNOFRVSA-N 496.180 4.897 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 39770831 CYTLIYRWHWNUFP-UHFFFAOYSA-N 495.626 4.880 10 10 JJCE CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)COc2cccc3ccccc23)cc1 39919997 JUGLJPYNTRRBTB-MHZLTWQESA-N 466.541 4.583 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)OC)C1=O 40938690 IUFMNSRGBXDDPT-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)cc1 83318141 QLKYPFPLYJSSND-CJLVFECKSA-N 487.468 4.868 10 10 JJCE COc1cccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1OC 205959720 KJGQVIZLDGKENS-CJLVFECKSA-N 458.474 4.749 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526220300 YHSFKBDARIATNX-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526404894 VVGBBGPAHCYMDJ-XMMPIXPASA-N 463.486 4.571 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(F)c1O 687752799 RCQCKJLLIBIKSA-VWLOTQADSA-N 453.441 4.899 10 10 JJCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2ccc(OCCCc3ccccc3)c(OC)c2)cc1 1865671111 KQCNQZHZAJRQQP-HKOYGPOVSA-N 456.542 4.975 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5cc6cccc(C)c6nc54)nc(C)n3)CC2)cc1 1869285263 VAARTOXDXKFIMF-UHFFFAOYSA-N 466.589 4.671 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3CC(C)C)CC2)cc1 1870620954 APRPFRCBWWXYEK-UHFFFAOYSA-N 479.596 4.553 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(F)(F)F)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421447 YQNGZGITQVPDFT-UHFFFAOYSA-N 496.533 4.867 10 10 JJCE CCCCN(CCCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1873545748 OTWVOYNQXQSLKJ-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 2040419450 DEHVQIUPCIJDGW-UHFFFAOYSA-N 482.483 4.599 10 10 JJCE CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccs1 2040465749 GUCXPFVUYZDUEP-UHFFFAOYSA-N 468.538 4.950 10 10 JJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C1(C)CC1 2079600456 PQPWGJRCMMTGIH-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNCc1cc(Cl)cc(Br)c1O 2159033917 KDJSZNGQCXKLOR-KRWDZBQOSA-N 469.754 4.933 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294095522 VKECTPIVOZKEOF-UHFFFAOYSA-N 470.710 4.560 10 10 JJCE Cc1ccc(C)c(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2297309469 QOYNXWHJHJHLAT-UHFFFAOYSA-N 483.524 4.592 10 10 JJCE CC(C)N1C(=O)C(=CNc2cc(Cl)c(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O 2297454780 NWYYMXZFMUWXIA-UHFFFAOYSA-N 456.713 4.935 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2318756641 QDUYIEJQISENEB-UHFFFAOYSA-N 452.326 4.621 10 10 JJCE Cc1ccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326945185 HPOWNXXXDPBELJ-UHFFFAOYSA-N 493.610 4.654 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc(Br)ccc2O)cc1 2332125563 OUKDLSASMYDRAO-UHFFFAOYSA-N 463.331 4.993 10 10 JJCE Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459690 NKFRXZZQZVINHK-LUJYGJGBSA-N 492.670 4.908 10 10 JJCE Cc1nc2c(cc(OCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c3ccsc32)s1 109181225 CVPIQPGYSHYUCE-OAHLLOKOSA-N 467.616 4.912 10 10 JJCE COc1cc2sc(/C=C\c3ccccc3[N+](=O)[O-])[n+](CCCS(=O)(=O)O)c2c2sccc12 214727868 NSGBGYKAXUDFJD-FPLPWBNLSA-O 491.592 4.769 10 10 JJCE COCCN(CCOC)c1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-] 256018011 CXYCUNGASNKFIA-UHFFFAOYSA-N 451.487 4.643 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526236401 LNFCDLJTXUAJNO-HSZRJFAPSA-N 463.486 4.571 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526380020 JXZRQAXCDPMDJV-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526570605 DHMLRZRTHYRASF-VWLOTQADSA-N 490.512 4.521 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2Cc2ccc(C)cc2)cc1 1862374479 UPKAAKVXPLLBJD-UHFFFAOYSA-N 496.611 4.886 10 10 JJCE CC(C)(C)OC(=O)N(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccncc1 1868175271 IRHFMRIVKZYZJK-UHFFFAOYSA-N 485.540 4.623 10 10 JJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCOCC2(C)C)n1 1868340778 IDNWLWAEZVDRIX-UHFFFAOYSA-N 470.573 4.908 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868687804 IOAFBWOVFZYQHX-BHBYDHKZSA-N 491.676 4.829 10 10 JJCE CCOC(=O)COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871146933 ISABZFNKQZZGCY-UHFFFAOYSA-N 493.604 4.961 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873170391 XTTVGMDTYZRVSE-UHFFFAOYSA-N 495.664 4.786 10 10 JJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2297458026 GSGVRKDVFKMHGR-UHFFFAOYSA-N 494.414 4.996 10 10 JJCE O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccccc1 2297462225 OTDUIQIFHBAXNW-UHFFFAOYSA-N 482.901 4.973 10 10 JJCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)C(=O)O 15045043 XQPMTQKQZSOJER-TYYMKKSVSA-N 482.627 4.705 10 10 JJCE C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n23)CCN1Cc1cc(Cl)ccc1O 34708007 PEAATFJRLQCOMI-MRXNPFEDSA-N 474.952 4.607 10 10 JJCE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(CC)CC)cc1)c1ccccn1 54120928 NDURREMRROSGKJ-RUZDIDTESA-N 477.605 4.586 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@@H]32)cc1O 226673137 ZFENHQYUHOMORS-BUEREQSYSA-N 474.582 4.979 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526154966 BLAFHHYBTJKCAY-NRFANRHFSA-N 498.329 4.935 10 10 JJCE COc1ccc(-c2csc(NS(=O)(=O)c3ccc(OCC(F)(F)F)cc3)n2)cc1OC 727242575 CGOLXPWHMOUGRA-UHFFFAOYSA-N 474.482 4.569 10 10 JJCE COc1cc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 1857944116 CAQZDEOVGBQMAE-UHFFFAOYSA-N 460.574 4.583 10 10 JJCE CCCc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(OC)cc1 1862321788 AILJPUYOCCVOAW-UHFFFAOYSA-N 465.509 4.861 10 10 JJCE COC(=O)c1c(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866208756 AQMFULXBDJUGTD-UHFFFAOYSA-N 471.600 4.712 10 10 JJCE CCN(CC)CCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170796 QVGDHMPGYYXPOV-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)cc1C 2079983656 FDHPQKVUOCTGOF-FQEVSTJZSA-N 466.363 4.959 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 2297310371 IZNLQOKOGJZVPL-UHFFFAOYSA-N 468.560 4.641 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4nc5ccccc5s4)c3C)C2=O)cc1 2297357778 DKWFWVVOWLDHAC-UHFFFAOYSA-N 456.527 4.679 10 10 JJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1 2297467679 JPWKQXZFWFNACB-UHFFFAOYSA-N 459.531 4.753 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836648 HYBBQWNHPGSPLV-JTQLQIEISA-N 481.368 4.522 10 10 JJCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837095 ODOFHXOMHKUXGK-NSHDSACASA-N 492.376 4.586 10 10 JJCE COc1cccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1OC 2323886532 GGNNKFCPGBYWEY-IBGZPJMESA-N 454.617 4.742 10 10 JJCE CCCCCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945374 CNSBELFBLZVBPY-UHFFFAOYSA-N 488.631 4.831 10 10 JJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc12 3649666 UJFNBDWHOASAAU-RUDMXATFSA-N 452.352 4.794 10 10 JJCE CC(C)Nc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641779 JMDPSEJTIJDDLE-UHFFFAOYSA-N 496.567 4.910 10 10 JJCE Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14458106 CRWYZXGKKYXQKD-IFXCNKOCSA-N 452.620 4.896 10 10 JJCE COc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1Cl 27521030 OFMOLJPTHJWZFD-HMAPJEAMSA-N 467.928 4.963 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)c1O 38160318 FWUIJYCOXMTLAD-SXGWCWSVSA-N 459.296 4.793 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1c[nH]c2ccccc12 103040702 GUOBNOYZBZRIOP-KGENOOAVSA-N 467.591 4.647 10 10 JJCE O=C(NCc1ccco1)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586609684 KVFNRMIHIFRRQP-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c2ccccc21 1670621337 RCIOERCQNNGSBV-VGOFRKELSA-N 455.002 4.873 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865028180 RGMIWRGXHJYARG-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE CC(C)(C)OC(=O)N[C@H](CNCc1cc(Cl)cc(Br)c1O)CC(F)(F)F 2117335787 RFBRDRJSBYQGDI-NSHDSACASA-N 461.706 4.743 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2205549664 QJHNIQAQGNZJBT-MZYLBHOOSA-N 465.638 4.960 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 2323766900 PARFLMMLGRVHNA-QGZVFWFLSA-N 454.617 4.896 10 10 JJCE CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc(Br)cc3)C(=O)N=C2S1 27531192 DPPWTOZOOOFGPM-YHBINRDGSA-N 499.390 4.936 10 10 JJCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 33332639 YTWUFFJHMUAVNK-WSDLNYQXSA-N 482.964 4.686 10 10 JJCE CC(C)[C@@H]1C[C@@H]([C@H](C[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O 72194504 AZMFFFCHYNXWLN-SXYSDOLCSA-N 456.543 4.505 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 102832602 WCMWSUOCBJFKEN-QUYZQLMHSA-N 495.651 4.534 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)c1C 213165269 YOVUZYKZCCKJND-UNOMPAQXSA-N 465.600 4.961 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526139711 FCZLSHMKHZSCNO-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526229403 VPOLIUDOTLJGLH-AREMUKBSSA-N 490.556 4.844 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526350779 GLKYDJCGDPPOIG-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526404893 VVGBBGPAHCYMDJ-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526621769 BSZXGNHOIIBOIG-HHHXNRCGSA-N 486.568 4.924 10 10 JJCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1705721615 MUYYIHXHGNYWRC-UHFFFAOYSA-N 460.626 4.670 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1O 1860084565 ULPHMBGRMDFNGB-QGMBQPNBSA-N 451.953 4.867 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C=C(C)C)C2)sc(C)c1-c1ccc(C)cc1 1860660173 NNPVRUCYIDUENS-IBGZPJMESA-N 454.592 4.962 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170428 ZLKATTSFHQMHAU-KBMIEXCESA-N 468.601 4.938 10 10 JJCE CCCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1Cc2ccccc2C1=O 1874179744 NPXVJZGCLSIORQ-HSZRJFAPSA-N 452.510 4.615 10 10 JJCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2F)cs1 1891503979 LIOGETTYEUQMPV-UHFFFAOYSA-N 461.309 4.660 10 10 JJCE CN(C)Cc1cc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952352906 FEXZSFCNCQZTAF-NDEPHWFRSA-N 474.557 4.682 10 10 JJCE COc1cc(Cl)cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952944507 CSOOPOYJISGOAM-LVXARBLLSA-N 479.916 4.893 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1CCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163169001 GEASHRDRXQLJBR-GOSISDBHSA-N 474.646 4.693 10 10 JJCE Cc1cccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)c1 2314832111 ZTNYJOYRGSEWMM-UHFFFAOYSA-N 456.589 4.807 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)C(=Cc4ccccc4)SC3=S)on2)cc1 2314913618 DYRYOBXVGFYNSM-UHFFFAOYSA-N 463.584 4.558 10 10 JJCE Cc1ccc(CN(C)CCCCCCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2352667337 XJKWNVQLLIUWGM-UHFFFAOYSA-N 459.384 4.752 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1O 14456934 JJMMWJJJPZLNSW-RLSLOFABSA-N 454.592 4.838 10 10 JJCE Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)C(O)=NC2=S)c1 33323115 GOLRSTQXTYKIHL-HMAPJEAMSA-N 472.522 4.944 10 10 JJCE Cc1ccc2nc(NC3CCCC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33781650 DQSVYWLVNRHJPG-NDENLUEZSA-N 494.617 4.898 10 10 JJCE CC(=O)Oc1cccc2c1N1[C@H](C(C)=O)[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2 35780113 WIWMACOIHUNZNJ-UODIDJSMSA-N 477.516 4.634 10 10 JJCE biogenic CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 95536011 YSPVMOZUDSVJQF-XJEZJLPISA-N 481.936 4.955 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3c(C)nn(Cc4ccc(C)cc4)c3C)CC2)cc1 108432741 CEEQZQFFEJRLDH-CCEZHUSRSA-N 458.606 4.617 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526386696 CPLJYXLVKSXRAK-NDEPHWFRSA-N 498.627 4.570 10 10 JJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526501356 OMXQWLBSDBEYID-XMMPIXPASA-N 478.932 4.645 10 10 JJCE Brc1cccc(-c2nnc(N3CCSCC3)n2CCCSc2nccs2)c1 1649538749 VGEZFSLCYZDIAL-UHFFFAOYSA-N 482.498 4.900 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4C(C)C)n4ccccc34)CC2)cc1 1858226632 CKZRHBUHONIABH-UHFFFAOYSA-N 497.599 4.681 10 10 JJCE Cc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCN(C)CC3)n2)c1 1859832986 WJPNGYOPXBMEMW-UHFFFAOYSA-N 489.579 4.723 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014313 RTHKJIDAKRPUAE-QHCPKHFHSA-N 496.567 4.561 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164895 XNIAYYRGHAKSQG-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE CCCCOCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1873887120 MLQAIVQLSZYOII-MUUNZHRXSA-N 488.632 4.501 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 2041044407 SLHRKNNHAFUFOX-LJQANCHMSA-N 465.552 4.852 10 10 JJCE CCc1nnc(NC(=O)CCCN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)s1 2297350841 OGSUUHLUVFWUSG-UHFFFAOYSA-N 458.634 4.667 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2297467974 RUXKHLMPLAALBS-UHFFFAOYSA-N 451.861 4.929 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2701005 VBIFQJHZJCMSRD-PBTLCFMXSA-N 452.897 4.573 10 10 JJCE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 34847460 XMYKYEHXCHHXSG-RGVLZGJSSA-N 478.643 4.781 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 39836105 SRFVLIQOKMVZEY-LDADJPATSA-N 451.573 4.633 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)cc1 71810273 CEXHFDBRDXLFDQ-NDEPHWFRSA-N 485.540 4.889 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)sc2c1 208741838 ZHNCUNWVNUWHMY-WOJGMQOQSA-N 469.613 4.843 10 10 JJCE O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(O)c(O)c1 236568192 NHYSWWNDRTZDGL-UHFFFAOYSA-N 465.923 4.638 10 10 JJCE Oc1c(Br)cccc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707887267 RQHLLOOKPXLBJB-UHFFFAOYSA-N 467.407 4.716 10 10 JJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 1858593905 CXNCOUCVKHAIPD-UDWIEESQSA-N 468.673 4.878 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(Cl)ccn2)sc(C)c1-c1ccc(F)cc1 1860746982 NWXWUDGWEFXWJW-UHFFFAOYSA-N 461.902 4.665 10 10 JJCE Cc1ccc(Cl)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866430077 OITONXYZYHQDJC-JOCHJYFZSA-N 467.013 4.513 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)ccc(OC)c3c2=O)sc(C)c1-c1ccc(C)cc1 1866452575 SFRRZDBVQCGMDL-UHFFFAOYSA-N 492.553 4.930 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccc(F)cc3)CC2)cc1 1870611552 PIVNGIVZBZSNDN-UHFFFAOYSA-N 491.607 4.712 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCOCCO)cc1OCc1ccccc1 1870896854 NXOCONTZDJIPCQ-UHFFFAOYSA-N 485.584 4.792 10 10 JJCE CCN1C(=O)C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422686 JYSDUSLBRRBIDB-UHFFFAOYSA-N 464.909 4.868 10 10 JJCE CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650242 NDQTVVVZCXHYPV-UHFFFAOYSA-N 484.604 4.656 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccccc3C(C)(C)C)cc1C2=O 1873917680 TYKXWBYCXDTHAX-UHFFFAOYSA-N 499.519 4.862 10 10 JJCE CCc1c(C)c2ccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2oc1=O 1874016591 GWDGLJNCMYHUQT-UHFFFAOYSA-N 481.504 4.765 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2053515934 QRBHDTGTRYDQSO-UHFFFAOYSA-N 470.664 4.631 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CCN(Cc2ccccc2)C(C)(C)C1 2199895535 HWIRKQNELONEAL-MUUNZHRXSA-N 466.670 4.920 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314413631 CREJOTXQWFIQJB-HNNXBMFYSA-N 456.637 4.747 10 10 JJCE COc1cc(N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)c(OC)cc1Cl 2321629413 DQMYKFATPMIPOR-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=Cc2cc(OC)c(OC)c(OC)c2)cc1 2332115168 VEWWVPGDLQYDTL-UHFFFAOYSA-N 474.513 4.564 10 10 JJCE N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 32964242 UOAAFAZPUDCKAZ-DMNVVODESA-N 461.934 4.829 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OCc1ccccc1F 33315682 HLRWKTXKAXVYNC-MOSHPQCFSA-N 460.461 4.916 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 33332645 VUTKIPBAXXBPPC-LFVJCYFKSA-N 486.499 4.720 10 10 JJCE O=C(Nc1ccc(N2CCCN(Cc3ccccc3O)CC2)nc1)c1ccc(C(F)(F)F)cc1 34681626 WBGFENPTADZESD-UHFFFAOYSA-N 470.495 4.771 10 10 JJCE CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccc(N(C)C)cc1 54617080 SFPXWBZDUBPGAI-QFIPXVFZSA-N 478.622 4.782 10 10 JJCE CC(=O)N(C)c1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 105571028 MDTKSZMWDBJNPL-NZXNHFJFSA-N 477.506 4.576 10 10 JJCE Cc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c(C)n1-c1ccc2c(c1)OCCO2 109518350 SYWGLUQZFOGQGK-UHFFFAOYSA-N 479.540 4.529 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 208277339 BBMDMIGVFBXFLO-XPFMCRKWSA-N 453.633 4.914 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)ccc1O 210757834 XXFXVSFUBLIFPG-GHRIWEEISA-N 477.633 4.648 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526284855 SIFMLRGZQOKLED-XMMPIXPASA-N 470.529 4.703 10 10 JJCE CC(=O)N1Cc2ccc(NC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2C1 1629311330 FKWBWBLIJJCZBE-UHFFFAOYSA-N 452.352 4.971 10 10 JJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705525858 WWYCGEPPEYDQEG-QHCPKHFHSA-N 472.637 4.507 10 10 JJCE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(CC)CC)cc1 1705613413 HBEKWFUCFWPAHU-QHCPKHFHSA-N 494.684 4.747 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(OC)c2)sc(C)c1-c1ccc(OCC)cc1 1860748247 UMRLWYPMTLVQFA-UHFFFAOYSA-N 482.558 4.885 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873162211 KQUQTKCVFOFNEV-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424699 JVUNHYGKJYZEMT-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE COc1ccc(C=C2SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1OC 2296321145 BKSQMAOUEKUQDM-UHFFFAOYSA-N 477.508 4.515 10 10 JJCE CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)NC1=S 2313656645 RHIZDSRUSXCBSC-UHFFFAOYSA-N 458.370 4.643 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 2314505985 AHUNCDQXLLFMCF-UHFFFAOYSA-N 495.626 4.731 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 15046627 RCCMRDQBZQHNAM-HJPCULJESA-N 466.506 4.942 10 10 JJCE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1 33316829 HBNJIWDMWRICGS-STZFKDTASA-N 474.444 4.698 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(O)=NC2=S)cc1 33334245 GWBYODUAGHKVDL-BKUYFWCQSA-N 489.553 4.781 10 10 JJCE COc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 33420632 USNHEGOFXRUJPK-UYRXBGFRSA-N 482.359 4.920 10 10 JJCE COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)c1 59183927 BOFVHGGTDCXQIH-WOJGMQOQSA-N 457.269 4.501 10 10 JJCE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3cc(C)c(C)cc3C)c(OC)c2)SC1=S 206831668 LCDOQUQVFUWKQW-XKZIYDEJSA-N 485.627 4.964 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526375994 FXDGRJQWLPGFNY-XMMPIXPASA-N 463.486 4.571 10 10 JJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705510473 QHMDANPXDVCXKP-DEOSSOPVSA-N 486.664 4.849 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(c4cc(-c5ccccc5)ncn4)CC3)cccc21 1859707282 OHENHJGZOUJLCD-UHFFFAOYSA-N 488.547 4.774 10 10 JJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nc3c4ccccc4nn23)cc1 1860380646 XXTLDEXAFJKVMU-UHFFFAOYSA-N 493.567 4.529 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)c2)c1 1860887118 BKNHYETXGKLNLO-QHCPKHFHSA-N 456.590 4.856 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 1860923251 MIZCZXOBXYISFP-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE COCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870867007 BIVBOQCPFUZWRG-UHFFFAOYSA-N 493.604 4.961 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873166027 YZZGNZBQQOBLDE-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(CN)c2I)C2(C)CC2)cc1C 2079845572 SXVUCCBUQSKGCE-HNNXBMFYSA-N 461.294 4.596 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 2296537363 GRRPJYNPSSPTIV-UHFFFAOYSA-N 494.554 4.514 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 2296714206 ISGFVBOBYPNSEZ-UHFFFAOYSA-N 491.638 4.884 10 10 JJCE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 2297309982 DOZLITTWRUHQOT-UHFFFAOYSA-N 499.498 4.534 10 10 JJCE Cc1ccccc1C1=NN2C(=N)C(=Cc3c(C)nn(-c4ccccc4)c3Cl)C(=O)N=C2S1 2297310194 FIHRUGHZFNVWJR-UHFFFAOYSA-N 460.950 4.810 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2297320243 IUVTZZNGYGVDBS-UHFFFAOYSA-N 484.599 4.794 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2313558275 WYFIINVMYNKOTO-UHFFFAOYSA-N 467.884 4.562 10 10 JJCE COCCCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314509707 XETDRDDPWYVMIE-UHFFFAOYSA-N 495.626 4.650 10 10 JJCE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OC(C)C)c(OCC)c2)SC1=S 2314761442 SUHBGSAGFDLQFV-UHFFFAOYSA-N 451.610 4.807 10 10 JJCE CCN1C(=O)/C(=C\c2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S 33536063 QDHFNPXPWWPLHY-MHWRWJLKSA-N 451.928 4.928 10 10 JJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990201 JIKSLRXYJHPBMV-MOSHPQCFSA-N 472.680 4.676 10 10 JJCE Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933438 PKLRZKUQIWHKDL-VOTSOKGWSA-N 484.950 4.686 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526625777 WWWLLYNAARBXOJ-MHZLTWQESA-N 486.568 4.924 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858591368 HUDUSHWOPWVFPT-NHXNDTTKSA-N 452.326 4.615 10 10 JJCE CCCC[C@@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267425 GOLLZFOKOQZCQB-JOCHJYFZSA-N 497.576 4.999 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@@H]4C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245241 BCCRUHMQNQIWGM-PMACEKPBSA-N 494.039 4.746 10 10 JJCE CCCN1C(=O)C(NCCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168600 BFPUIPHVUPONKM-UHFFFAOYSA-N 481.600 4.683 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1873169529 OTWWNRNIYQINOW-CPJSRVTESA-N 476.665 4.684 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080051619 BAIVSNFUNYALNE-QGZVFWFLSA-N 498.361 4.676 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296056341 CZXRYRBYCAHHOT-UHFFFAOYSA-N 473.945 4.981 10 10 JJCE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1C(=O)c1ccccc1I 2297453565 KFPSCIDQJLVFFN-UHFFFAOYSA-N 485.755 4.986 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 2314817634 AKPNUFRSRGXNGN-UHFFFAOYSA-N 490.610 4.845 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314836204 BLXCVBKHSDXXNI-LLVKDONJSA-N 452.479 4.639 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc([N+](=O)[O-])c1O 2321753987 UGKPMZSKSNGMBB-UHFFFAOYSA-N 456.423 4.734 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cccc(Br)c2O)[nH]1 2362655457 XUNMBBZPHBKGHR-HNNXBMFYSA-N 456.406 4.867 10 10 JJCE C/C(Nc1cc([N+](=O)[O-])ccc1O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 4395085 NPEOAPLOQLMKRP-DHDCSXOGSA-N 463.397 4.561 10 10 JJCE C[C@@H](NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 12528920 LDTFWEGIMWNJAQ-PLVCPGIGSA-N 473.569 4.630 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33474127 UVVARKOMLYDZHV-XDJHFCHBSA-N 470.664 4.775 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1nc2ccccc2s1 40324211 RUAJOPIDEOKQRZ-AQTBWJFISA-N 488.059 4.900 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210742546 ABHGBQPTFVWLGT-RCCKNPSSSA-N 486.615 4.810 10 10 JJCE O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 727996863 XDSODRRKGDEWSU-UHFFFAOYSA-N 496.350 4.883 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678660 XFLAELGEWGDZEX-HYARGMPZSA-N 474.513 4.564 10 10 JJCE Cc1ccccc1-c1ccc2[nH]cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866477043 VXGOHIXHCOERLS-MHZLTWQESA-N 491.595 4.822 10 10 JJCE CCCC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868684941 YKGCFDQXRRTPLE-CPJSRVTESA-N 486.056 4.866 10 10 JJCE CC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868702156 NFQDDAKQVQXCDY-LOSJGSFVSA-N 486.056 4.722 10 10 JJCE CCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871568194 UPOKORSYBDRTLV-UHFFFAOYSA-N 496.059 4.936 10 10 JJCE Cc1ccc(CNC(=O)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)c(O)c1Br 1905134343 LZZOSYYSBWTTDV-UHFFFAOYSA-N 477.399 4.907 10 10 JJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 2294094873 BNUUQJSXMMXUFY-GFCCVEGCSA-N 477.742 4.946 10 10 JJCE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2296538408 NGVSSRPDHRTXBO-UHFFFAOYSA-N 479.627 4.742 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296700327 XWEAXNFJJGPVOK-UHFFFAOYSA-N 478.643 4.736 10 10 JJCE Cc1ccc(C(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326954653 OPCZOZCKSBLLSN-UHFFFAOYSA-N 478.595 4.899 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 23304318 YVVPILGKJOBULL-UHFFFAOYSA-N 473.617 4.813 10 10 JJCE O=C1/C(=C/c2cccs2)SC(=S)N1CCCCCC(=O)N(CCO)c1ccccc1 35001848 FHPURJWYYRGXKB-MNDPQUGUSA-N 460.646 4.535 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1 38732527 ZBWXAHBPXVQQOV-STZFKDTASA-N 483.659 4.872 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 59378570 UWDLMKADOVZDQU-RCCKNPSSSA-N 469.632 4.980 10 10 JJCE Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(N3CCOCC3)cc2)c1 108804454 HCVCEUDOFCLCOJ-UHFFFAOYSA-N 452.558 4.614 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c1 526157412 GQMXMQCPSPCTGL-VWLOTQADSA-N 458.514 4.590 10 10 JJCE O=C(O)Cc1sc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)nc1-c1cccs1 1858004088 JDSUFFCBNKTSPZ-UHFFFAOYSA-N 464.590 4.621 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2)sc(C)c1-c1ccc(F)cc1 1860747072 SDOAJAOXZJIQRR-UHFFFAOYSA-N 462.449 4.895 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](N)CC(C)C)sc(C)c1-c1ccc(Br)cc1 1865917909 MDNPZIFDJABERY-OAHLLOKOSA-N 453.402 4.975 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(CN)c2I)cc1C 2079956997 ITSSKGLTRODDIU-IBGZPJMESA-N 453.368 4.782 10 10 JJCE CN1CCCc2cc([C@@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163155665 ZBEUGNULRMIUIE-LEAFIULHSA-N 465.638 4.913 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 2293273314 CUDDYXXYXSGCLZ-UHFFFAOYSA-N 472.541 4.621 10 10 JJCE COc1ccc(NC[C@H](O)Cn2cc(C=C3C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 2296303796 GTDZTLWJHAUDHU-DEOSSOPVSA-N 480.568 4.929 10 10 JJCE CCOCCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296706123 ZMVMGASZINSGTG-UHFFFAOYSA-N 473.019 4.885 10 10 JJCE Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)cc1 2296709068 MVNDBWNXNOMWGJ-UHFFFAOYSA-N 464.616 4.533 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)N1CCN(c2ccccc2)CC1 2296881794 ASQHOBJCUQEJEU-UHFFFAOYSA-N 485.700 4.859 10 10 JJCE COc1ccc(C=C2C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)cc1OC 2297630500 WWZGAHZWWHNMAZ-UHFFFAOYSA-N 450.564 4.539 10 10 JJCE O=C1C[C@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314832334 FNOAYGKKBUKBJS-HNNXBMFYSA-N 496.919 4.892 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640893 HGTMRTMLQHKKCY-ZYLNGJIFSA-N 484.618 4.714 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461030 PXNVTORGQHRGAU-VWKPWSFCSA-N 463.397 4.670 10 10 JJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469139 RTGWGBLORGYGOY-SDMYACPNSA-N 470.591 4.524 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 14475664 MOGDSCLJPDZRTK-AXHZCLLHSA-N 463.515 4.928 10 10 JJCE CN(C)c1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1Br 33334465 XEGKQHCMSRBVGM-DXIKEOKKSA-N 453.365 4.819 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 33383392 XONWRYZKNVVAAV-CYVLTUHYSA-N 490.519 4.900 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33467410 LMXQQOBTHNGPPM-JXAWBTAJSA-N 456.637 4.686 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 83327790 LKSYYEMDAMMJDW-XQNSMLJCSA-N 487.468 4.868 10 10 JJCE C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1 586659368 FIQFWZRIMLPSPO-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860562568 ZDZSBMILKSFZCD-DTQAZKPQSA-N 473.488 4.761 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)sc(C)c1-c1ccc(OCC)cc1 1860645799 FJRJMZAAQJPGRH-LJQANCHMSA-N 484.618 4.886 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016562 SLVMUBPVTOHIRY-JOCHJYFZSA-N 488.588 4.515 10 10 JJCE COCCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420084 IOLTZACFEZKINC-UHFFFAOYSA-N 493.991 4.985 10 10 JJCE CCOCCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425516 CFRLIYQMTOUGBL-UHFFFAOYSA-N 486.616 4.779 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079060496 HXKYXLARBARPAQ-HNNXBMFYSA-N 478.277 4.861 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163154451 SDOSMYHYYPEYNI-AHWVRZQESA-N 466.670 4.745 10 10 JJCE CCCCCCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 2296091636 YLITUIWNNSXKAH-UHFFFAOYSA-N 465.981 4.945 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C(=Cc3ccc(Cl)cc3)O4)CC2)cc1 2297384418 XRALBEMPTFXVLZ-UHFFFAOYSA-N 489.959 4.683 10 10 JJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 2313624407 RUUAUDJTJDUUKC-UHFFFAOYSA-N 477.879 4.737 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314936548 ZJVPYPPDHULAIU-CQSZACIVSA-N 471.556 4.546 10 10 JJCE Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(N(C)C)cc2)c1 15834273 JTVRVXLXBCVJSO-VWLOTQADSA-N 491.595 4.584 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)cc1 16911430 XIZAPYXKRHAROR-HMMYKYKNSA-N 456.589 4.792 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(F)c4)C(=S)N=C3O)c2C)c([N+](=O)[O-])c1 33447046 ZMLGSPBMUJASTB-GRSHGNNSSA-N 494.504 4.822 10 10 JJCE CCCc1nnc(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(Cc3ccccc3)C2=O)s1 39793650 RSISQKBCYXTIPY-CZIZESTLSA-N 494.667 4.986 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 39861759 WKWYSZDFNZJCGN-VCHYOVAHSA-N 496.478 4.657 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 40324030 NWQMPJAHWVDNBS-MOSHPQCFSA-N 478.599 4.507 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1Br 40940090 GWZFKKSTOLOPAN-OVCLIPMQSA-N 483.796 4.657 10 10 JJCE Cc1nc(COc2ccccc2/C=C\C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 210873686 QEYPTIYURRGIPY-ADYPVZHUSA-N 463.603 4.758 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526367480 PWUGESYNNTYCBV-AREMUKBSSA-N 473.573 4.893 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(N(C)C)cc2)c1 526478960 KBOMWXKQRQWEAD-VWLOTQADSA-N 472.541 4.995 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526625981 SQFIABXTAABWRN-AREMUKBSSA-N 456.542 4.834 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCSc1nccs1 1705481782 MQBXKGIEKXVDPF-CQSZACIVSA-N 492.468 4.813 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)N(C)C)cc1 1858594345 VRLZRHOJBDGMIP-PYJSORCASA-N 450.988 4.992 10 10 JJCE CCC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867893723 UDNHWROBLRUWSM-SVBPBHIXSA-N 478.681 4.611 10 10 JJCE CCN(CC)CCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166172 FJXXTFJGBBUJSZ-UHFFFAOYSA-N 484.644 4.614 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(F)c(F)c4F)c4ccccc34)[C@H]21 1873911809 MEHHWWLPXWXUST-SANMLTNESA-N 490.485 4.844 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2c(O)cc(O)cc2O)C1 1952457212 PTZXJRHZAAKINX-OYHNWAKOSA-N 475.497 4.590 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1ccc(F)cc1 2294253357 FIZIVFDZYUXVGF-UHFFFAOYSA-N 460.317 4.755 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1 2296398128 VNWOIVHPEFPQHH-UHFFFAOYSA-N 451.525 4.909 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1Cc1ccccc1 2296968873 RRIYQQBZNVMVIK-UHFFFAOYSA-N 457.534 4.960 10 10 JJCE COc1ccc(NCN2C(=O)C(=Cc3cccc(I)c3)SC2=S)cc1 2313501810 FZIFHTBPBJTHIX-UHFFFAOYSA-N 482.368 4.571 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2314837600 UQUDFHAHSVPHLU-CYBMUJFWSA-N 461.406 4.986 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 2314837947 YULMISQBZKOLEJ-HNNXBMFYSA-N 453.545 4.770 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1OC 2323880061 NQCOUYOUQPWDHA-LJQANCHMSA-N 472.632 4.607 10 10 JJCE CC[C@@H](C(=O)OCC(C)C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945453 YTXXLDWDVHKDQP-SFHVURJKSA-N 488.631 4.858 10 10 JJCE O=C(O)c1ccc2nc(N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)sc2c1 15221143 AZAPUCWULWSKFY-UNOMPAQXSA-N 470.466 4.737 10 10 JJCE COc1ccc(/N=N/c2ccc(C(=O)OC[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@@H]43)cc2)cc1 32603309 RHNFEUWGIMSCRG-BHGVFKRMSA-N 498.532 4.664 10 10 JJCE COc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1OCc1ccc(Cl)cc1Cl 33309084 LBDXUUYXOJQKMA-APSNUPSMSA-N 484.382 4.867 10 10 JJCE Cc1ccc(C)c(-n2nc(C)c(/C=C3/CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2Cl)c1 40161573 FFIKJCSPBSXSQO-WJDWOHSUSA-N 460.921 4.803 10 10 JJCE Cc1occc1C(=O)NC1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 727332332 FMAJGUZBALZHDO-UHFFFAOYSA-N 453.970 4.612 10 10 JJCE CCCCNC(=O)[C@@H](C(C)C)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156794 HLFLSFNOMNAZHW-RBFDBLARSA-N 455.443 4.591 10 10 JJCE Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860504433 ZIMOXXSSGAQQSG-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE Cc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc1Br 1860721613 YCFNFZRKQVCNKH-UHFFFAOYSA-N 462.569 4.607 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n(-c4ccccc4)n3)CC2)cc1 1862376759 HLHLCIAZBLOKAO-UHFFFAOYSA-N 452.558 4.819 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862376959 LZHKACMZSSFBGZ-UHFFFAOYSA-N 482.584 4.827 10 10 JJCE CCCCC[C@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873167106 SBNAADHUWMIDEH-QFIPXVFZSA-N 451.611 4.769 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873420839 XAELVSUEHLMSHC-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079027675 XVFQMINEUXWGOZ-INIZCTEOSA-N 468.335 4.585 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)ccc1C 2297313905 LKYBOTWSOCNPPH-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE O=C1C(=Cc2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297578851 XQHKQRWFZFYAFN-UHFFFAOYSA-N 484.298 4.851 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C)o3)C2=O)cc1 2313549364 UQCNIDOYKGVPDD-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)c1ccc(Br)cc1 2314755008 NAAACYVPPNLLCX-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)SC1=S 2331592357 AOLKXKMICMHXGU-QGZVFWFLSA-N 454.617 4.800 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141396 VLNWVUBPTSAGOW-UHFFFAOYSA-N 472.541 4.860 10 10 JJCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)cc2)cc1 8984845 NCAUQWZFVSMEDR-HAHDFKILSA-N 457.442 4.629 10 10 JJCE O=C(c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCc2ccccc21 17192405 LQQYIPQKDPCKOB-UHFFFAOYSA-N 464.500 4.529 10 10 JJCE COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c(OC)c1 59595107 HEEQDHLSOQDKIA-UDWIEESQSA-N 495.988 4.596 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 96569859 DCWORWUOYNFROM-ADKREUBMSA-N 478.574 4.737 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccccc12 103040523 UBUAZSNHIAAGAT-DEDYPNTBSA-N 470.019 4.772 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc2c(Br)cccc2[nH]1 726568006 YGJLUNKROFFETQ-UHFFFAOYSA-N 464.310 4.931 10 10 JJCE CC[C@@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1858135407 REMOVQYZDBRUID-KRWDZBQOSA-N 461.400 4.699 10 10 JJCE CCN(CC)c1ccc(/C=c2\sc3nc(C(c4ccccc4)c4ccccc4)nn3c2=O)cc1 1860791126 XCELJZRGXYYPGL-CLCOLTQESA-N 466.610 4.725 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCNC2)sc(C)c1-c1ccc(Br)cc1 1865974064 PVHWJIDLOBCESP-AWEZNQCLSA-N 451.386 4.601 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CC(C)C)C2=O)cc1 1873424875 XQCOXDGQJPRETP-UHFFFAOYSA-N 458.518 4.850 10 10 JJCE CCOCCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425511 BXHPPJPTTKNMNI-UHFFFAOYSA-N 488.544 4.621 10 10 JJCE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1962925092 CHXLRAVDKAWUDE-VWLOTQADSA-N 488.584 4.710 10 10 JJCE CCOc1c(Br)cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 2040446776 LFHAOPGQYIQFNV-UHFFFAOYSA-N 494.388 4.960 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)N=C2S1 2296397875 DJDYRCBUGQUZCE-UHFFFAOYSA-N 480.550 4.820 10 10 JJCE COCCN1C(=O)C(=Cc2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 2296540262 JLLYOFSVPDYCGQ-UHFFFAOYSA-N 453.541 4.808 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1 2297348179 PPHBPUGCSPOYSM-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1cccc(C)c1 2297365288 MAPNNRXBTCYEGO-UHFFFAOYSA-N 499.390 4.984 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)O 2314933740 CXXKGQZWJNHDTF-OAHLLOKOSA-N 457.573 4.960 10 10 JJCE CCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33459295 DOMULTHXSHPWHS-AQTBWJFISA-N 456.637 4.605 10 10 JJCE COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=S)cc1 33682877 QXJQRSQJJSNUKR-AQTBWJFISA-N 456.545 4.649 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066488 FDYLATUHLFOOML-OFNOZLENSA-N 496.658 4.669 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475552 IWZIGXRGUNRLAK-XDHOZWIPSA-N 477.429 4.769 10 10 JJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 205967408 CFKFERSOIUEXLG-XQNSMLJCSA-N 486.484 4.527 10 10 JJCE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1084394911 RYBARVWMWOXUKB-MOSHPQCFSA-N 491.931 4.543 10 10 JJCE CCCCc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)CC2=O)cc1 1352682527 FPIXAIHGWYMBKQ-QGZVFWFLSA-N 454.592 4.748 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3ccc4ccc(OCc5ccccc5)cc43)CC2)cc1 1860224979 KQPQMVARTDIFPL-UHFFFAOYSA-N 455.558 4.578 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)nc1 1860344941 JCGNJUBTWPECDZ-UHFFFAOYSA-N 469.932 4.652 10 10 JJCE CC[C@@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862119720 VJWOIBRLWRKZIT-GDLZYMKVSA-N 471.601 4.610 10 10 JJCE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194922226 FMQGHOLVNNQDTC-IFMALSPDSA-N 478.678 4.662 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1 2294094904 CWGFABJXVLUPFV-UHFFFAOYSA-N 492.535 4.563 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 2296881782 ABPIYVPRZQXCFF-UHFFFAOYSA-N 460.602 4.847 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c1 2297305800 VGTWSQSVHGNHLV-UHFFFAOYSA-N 473.598 4.941 10 10 JJCE Cc1cccc(COc2ccc(Br)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2297578090 PKTHAQBHGYRXBH-UHFFFAOYSA-N 478.389 4.622 10 10 JJCE COc1ccc(OC)c(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1 2331595207 ZRWOIDBLAKXIFW-UHFFFAOYSA-N 486.615 4.579 10 10 JJCE C[C@H]1Oc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3)cc2N(C)C1=O 11858052 QTILBUBUBJPFKD-CQSZACIVSA-N 471.604 4.652 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 33519424 CJKWZVNRPLQZEA-YZYPPFLQSA-N 464.616 4.787 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 96475761 QPMZLKOBPOZGIP-HINGXDCCSA-N 485.547 4.829 10 10 JJCE CCCc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(c3ccccc3)C2=O)s1 211939353 OBUOVSRRWBQMPX-ZPHPHTNESA-N 480.640 4.991 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526154199 WIIUHFYBKZZERU-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OC(C)C)cc1 586257165 VQFJKEUBSKBKTD-UHFFFAOYSA-N 463.555 4.855 10 10 JJCE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Br 1084419117 SZODCLRAJZGMNF-ATVHPVEESA-N 465.303 4.992 10 10 JJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 1087859451 ZUIXMCFPTJJVEL-SDNWHVSQSA-N 493.611 4.502 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCOC(C)C)CC1 1705979863 BNRIEXZIZNBVMI-UHFFFAOYSA-N 492.668 4.616 10 10 JJCE O=C(CCNCc1ccccc1C(F)(F)F)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860711098 RLLSGXVVUGVCQC-UHFFFAOYSA-N 452.432 4.599 10 10 JJCE CCOc1ccc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1OC 1861868134 BHSOWZLJHXABRV-UHFFFAOYSA-N 486.572 4.608 10 10 JJCE CNC(=O)COc1cn(CCc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015274 YSGRSHBPHPXIOX-UHFFFAOYSA-N 482.584 4.572 10 10 JJCE CCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421519 BZFZCJPSZWXSIF-UHFFFAOYSA-N 456.546 4.655 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080023882 FLZXLRARYZCHTK-QGZVFWFLSA-N 483.394 4.842 10 10 JJCE CN(Cc1cc(O)nc2ccccc12)C(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2296885296 NMWQOJPQUCWVJL-UHFFFAOYSA-N 498.029 4.844 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1Cl 2297314540 CGEQVQANXRZXQY-UHFFFAOYSA-N 455.923 4.583 10 10 JJCE N=C1C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2297468258 NFBUFHDPBAABIF-UHFFFAOYSA-N 480.528 4.891 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCSCc1ccc(C)cc1 2297559547 KDPUWPNEVNFONG-UHFFFAOYSA-N 474.582 4.777 10 10 JJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2313548892 IFHIGASWUGMNIO-UHFFFAOYSA-N 455.297 4.958 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)ccc1Cl 2313549465 XAONLIWBHGIBMU-UHFFFAOYSA-N 478.888 4.670 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314415023 UVVARKOMLYDZHV-UHFFFAOYSA-N 470.664 4.775 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314837191 PLBHXLSAXKWXSN-LLVKDONJSA-N 452.479 4.639 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(c3ccccc3I)C2=O)cc1 33314422 LEWMKONBTZTWMH-GDNBJRDFSA-N 453.326 4.706 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)c1O 36551238 BTXSYNVSALDCOG-DYLHXGEVSA-N 474.582 4.979 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1C 206297851 FFUKVBWGPCOLJM-HYARGMPZSA-N 491.594 4.524 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526328614 PSKWQRRYUBYICZ-RUZDIDTESA-N 490.556 4.844 10 10 JJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccc(C(=O)OC)cc3)C2=O)cc1 1084102180 HHTVQMXBMOFFOL-ZHZULCJRSA-N 455.605 4.590 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCn3ccnc3)C2=O)ccc1OCc1ccccc1 1858590941 PTCNSASCQAMAQV-PXLXIMEGSA-N 465.600 4.762 10 10 JJCE CCc1sc(NC(=O)[C@@H](N)[C@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865950044 GCRMJIFSXWTYMC-DIFFPNOSSA-N 453.402 4.839 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421131 IKRRXPJQXAPADM-UHFFFAOYSA-N 456.590 4.546 10 10 JJCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc(Br)cc1 2053511828 KTSYOJAPOGDWFA-UHFFFAOYSA-N 450.339 4.628 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2053525639 OXBDEOPDFATWSM-AWEZNQCLSA-N 453.614 4.845 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540816 XKZWAGUBFZEZSU-QZTJIDSGSA-N 484.691 4.958 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2cccc(OCC(=O)O)c2)SC1=S 2314927061 YLNUUCVOWJOECM-UHFFFAOYSA-N 465.593 4.557 10 10 JJCE CCOC(=O)c1sc(N2N=C(C)/C(=C/c3c(OC)ccc4ccc(OC)cc34)C2=O)nc1C 33337524 IUZUXIVDTALHIR-ATVHPVEESA-N 465.531 4.605 10 10 JJCE COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 33535018 SKNGTYBHKPWKBP-YBFXNURJSA-N 452.869 4.528 10 10 JJCE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)CC1 35518927 HRAMWQQXOIKASW-BOPFTXTBSA-N 454.404 4.617 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=S)N=C2O)c(Br)cc1O 38181962 KBNHNAPIESLYAY-ZSOIEALJSA-N 475.364 4.842 10 10 JJCE CN1C(=O)/C(=C\c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 102855953 STOQSPIPXQUGHR-WQMJKPAKSA-N 491.805 4.616 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)NCc2ccccc2)C1=O 210759190 WOVHFKRMTWJJOM-LTGZKZEYSA-N 454.617 4.773 10 10 JJCE C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C1 586660488 UVBWFHSIOKQUHZ-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OCC 1858594359 VZXXYYYBVLJXDP-KMUCBOENSA-N 486.659 4.997 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1860760662 BXJADKCUFZZPNV-INIZCTEOSA-N 450.560 4.943 10 10 JJCE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865933197 ZTMRCVDQTKMLDQ-XOBRGWDASA-N 491.817 4.575 10 10 JJCE CC(C)C[C@@H](CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1868153501 MWWATRIBCDZQFG-IBGZPJMESA-N 486.543 4.876 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423661 HFXIELJJTBRTBS-KRWDZBQOSA-N 471.557 4.871 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(F)cc4F)c3)CC2)cc1 1874722438 XJIDXPUNIUBBRJ-UHFFFAOYSA-N 493.554 4.550 10 10 JJCE CN(C)c1ccc(C=C2CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@@H]3c2ccc(N(C)C)cc2)cc1 2042453371 FWVCPSHQUCTEGN-RBJSKKJNSA-N 474.605 4.806 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1nc(-c2ccccc2)cs1 2297306805 HRBGXQHLPVUWJC-UHFFFAOYSA-N 495.607 4.769 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(OCC)c(OC)c3)C2=O)cc1 2297578034 XXOFAZZPMUZOSK-UHFFFAOYSA-N 462.424 4.619 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313559767 RLHTVXCAMPTSBN-UHFFFAOYSA-N 494.345 4.532 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(Cn3cnnc3)cc2)cc1 2313682917 NSGXGZJOOYJVOV-UHFFFAOYSA-N 482.519 4.611 10 10 JJCE CCOC(=O)c1cccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)c1 2314731971 KSRIJEPYYCLHBM-UHFFFAOYSA-N 494.388 4.746 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 2314829025 YSABZXJGTKBLLP-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935041 MMJVPZGSIIECSK-KRWDZBQOSA-N 473.572 4.742 10 10 JJCE CCCC1=NN(Cc2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2332139714 KDXWOMBWINQGHE-UHFFFAOYSA-N 477.605 4.914 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 8646926 PEUIHLVPSKCEPW-MHZLTWQESA-N 488.544 4.776 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1O 14457112 ZFENHQYUHOMORS-FYQCMVGJSA-N 474.582 4.979 10 10 JJCE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 211953663 DTMXHKAAJXDTBP-CXUHLZMHSA-N 452.479 4.554 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)C(C)C 586257051 AMGQOELXRPRHNW-UHFFFAOYSA-N 469.946 4.728 10 10 JJCE CC(=O)N1Cc2ccc(NC(=O)c3cc(C)n(-c4ccccc4Br)c3C)cc2C1 1445218772 GGDAFIDUWIOECW-UHFFFAOYSA-N 452.352 4.971 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)Cc3ccncc3)CC2)sc(C)c1-c1ccc(C)cc1 1860633547 UGBAUORDVKPHSY-UHFFFAOYSA-N 491.613 4.633 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc(Br)c1O 1865666744 VMBGEUFJPNWBAH-QPEQYQDCSA-N 455.230 4.820 10 10 JJCE CC(C)OC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870909469 SWCSKEUYTOVVFN-VWLOTQADSA-N 491.588 4.713 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420354 ZIWOSIRPWWVRKC-VWLOTQADSA-N 485.584 4.864 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c(C)c1 1873421397 VRDNPEKVGULRMD-UHFFFAOYSA-N 470.617 4.855 10 10 JJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952661587 WHKBQZDIQJLYHY-QHCPKHFHSA-N 476.485 4.991 10 10 JJCE CN1CCc2cc([C@@H](N)CC3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163146894 WOMMIDNCJUHTHX-DEOSSOPVSA-N 464.654 4.628 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 2297313809 GJLGYSHAYROSIX-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 2297317948 NOBASNJMYCEVIK-UHFFFAOYSA-N 476.001 4.783 10 10 JJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2313560927 LWGNNFVQLQGOAW-UHFFFAOYSA-N 477.314 4.695 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)ccc1Br 2313631633 TXJHEVFIEQTGPF-UHFFFAOYSA-N 492.373 4.827 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414221 SSFWJMKOIOKNBW-HWOWSKLDSA-N 456.637 4.685 10 10 JJCE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 2314765129 VOCSGNXHSKBBAT-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3CC)C2=O)ccc1O[C@@H](C)C(=O)O 2314935883 SLUSEIYSJHIZCS-AWEZNQCLSA-N 457.573 4.905 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)c(Br)cc1O 1116206 AOWPKBGMNXADEL-OQLLNIDSSA-N 459.296 4.623 10 10 JJCE CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCC(=O)O)[C@@H]3c2ccc(N(C)C)cc2)cc1 8431620 FWVCPSHQUCTEGN-FSQXKKOXSA-N 474.605 4.806 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)NCc1ccccc1 13915575 NEKZULUNNIXRGL-LFVJCYFKSA-N 469.541 4.587 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(F)cc3)CC2)cc1 20289512 UTXOTSVKKNOUMG-BCHFMIIMSA-N 467.610 4.507 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4cn[nH]c4-c4ccccc4)S3)CC2)cc1Cl 33332424 ZKLPMWFRZKUSCN-FYJGNVAPSA-N 463.994 4.831 10 10 JJCE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 33869557 WBXRHMAHEFKXST-UDWIEESQSA-N 478.643 4.781 10 10 JJCE O=C(/C=C\c1ccccc1)Oc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 102856329 IAZXIOZZUXOLNE-JALCEEBXSA-N 451.569 4.686 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 102989755 PYXSJVMEKWLIHG-CPNJWEJPSA-N 482.631 4.624 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc2oc(=O)ccc2c1 103040519 GUXNMHYNBALXFA-LDADJPATSA-N 470.959 4.676 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1O 226716565 GAXQHAXTKGFLAM-YDIMBITNSA-N 454.592 4.838 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526226603 IDHUSOOBEBXYMJ-VWLOTQADSA-N 493.512 4.580 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4c(C)cc(OC)cc4C)n4ccccc34)CC2)cc1 1858353828 PSNJXLZXKBWXFD-UHFFFAOYSA-N 470.573 4.598 10 10 JJCE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1868164102 CEQVMIZBCDSNCX-UHFFFAOYSA-N 487.562 4.787 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@H](C)COC[C@H]2C)n1 1868228767 WJAJKDDUXWWRAE-IAGOWNOFSA-N 456.546 4.733 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2163125982 HMWOXFUQDXIOKR-YPGOJHLTSA-N 474.646 4.548 10 10 JJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)cc1 2294106378 AIZOKGVADHVKNK-UHFFFAOYSA-N 478.913 4.886 10 10 JJCE CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297455765 REBPMQVGJFLAFX-UHFFFAOYSA-N 461.305 4.544 10 10 JJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1 2297470114 CFLRRMGSEQBVQS-UHFFFAOYSA-N 469.570 4.965 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC3CCCCC3)C2=O)ccc1OCC(=O)OC 2297561650 RCXJFPXBFVQWJX-UHFFFAOYSA-N 463.621 4.809 10 10 JJCE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 2313548621 ACISQXUBHHORAX-UHFFFAOYSA-N 450.878 4.628 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473023 QZCJTAFRBCZBHC-FIEAQMJYSA-N 453.926 4.984 10 10 JJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 33335083 UTOFNPYFPSPHJU-XQNSMLJCSA-N 474.542 4.643 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)cc1OC 40888454 XZIOKMRWEQLVCJ-UNOMPAQXSA-N 451.610 4.665 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)N(c3ccccc3)C2=S)c(C)c1 59391092 HIMFAPZXOPAGKM-MOSHPQCFSA-N 456.523 4.780 10 10 JJCE Cc1ccc([C@H](CCN/C=C2/C(=O)N=C(S)N(C3CCCCC3)C2=O)c2ccco2)cc1 103115562 MMAQPGHSTRHRQU-CVVHJZTLSA-N 451.592 4.571 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526395903 SQBWJRWFXHHPIJ-SANMLTNESA-N 487.556 4.785 10 10 JJCE CCN(CC)Cc1nc(C2(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)CCCC2)no1 743892075 GGAYYQUNFWFVDC-UHFFFAOYSA-N 465.598 4.527 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CC4CCCCC4)CC3)cccc21 1860600656 YLSLWAXUPLEXPT-UHFFFAOYSA-N 458.558 4.610 10 10 JJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865680046 UJXYZPJHQNRKTJ-RGVLZGJSSA-N 464.905 4.906 10 10 JJCE CCOCCOC(=O)COc1cn(CC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119251 OMKHTAYHMRJRRA-UHFFFAOYSA-N 493.604 4.819 10 10 JJCE COc1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C(=O)O)cc(O)c1O 1952151782 IMEKIXAMIAPFCT-XMMPIXPASA-N 477.513 4.797 10 10 JJCE CCCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(-c4ccccc4)o3)SC2=S)s1 2314487208 FOQDEKCVBKZQHK-UHFFFAOYSA-N 470.601 4.591 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N(c4ccccc4C(N)=O)C3=O)o2)c([N+](=O)[O-])c1 2314539211 NDDHSWIGFHJZIL-UHFFFAOYSA-N 465.512 4.668 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCc1ccccc1 2314764787 MIYFRUKKNUXXEB-UHFFFAOYSA-N 490.606 4.863 10 10 JJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)SC1=S 2314768268 KCQAYZNFBDOHOR-HXUWFJFHSA-N 457.573 4.598 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)SC1=S 2314769791 VIJIEESILDMIFO-OAQYLSRUSA-N 471.600 4.988 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1OCC(=O)O 2314932761 PLQHQFXQGBYFRK-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526144741 JNNOLHZKKCULAN-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3OCC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526185734 ULMVJCFHYKDFSV-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)sc2C1 1860745142 AAFCJXZPOYZDGH-CQSZACIVSA-N 487.581 4.647 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2Cl)sc(C)c1-c1ccc(F)cc1 1860758314 DOCDOKCUIUDLKU-UHFFFAOYSA-N 474.941 4.948 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Cl)cc1 1866017653 KGTCFRMVPRVBAX-SFHVURJKSA-N 458.967 4.768 10 10 JJCE CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1868027261 BMIFEQACPKTBDX-UEVZPOJISA-N 451.611 4.517 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCOC(C)C)C2=O)cc1 1873420704 UJGFKBMONJROKA-UHFFFAOYSA-N 461.537 4.850 10 10 JJCE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2204745050 RSGLKBFNVGEDEI-QGZVFWFLSA-N 474.646 4.692 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 2297328759 XGYKBAHBDGMRIF-UHFFFAOYSA-N 497.916 4.738 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 2297468377 IEHDPXUGXBKAFC-UHFFFAOYSA-N 483.553 4.645 10 10 JJCE CCCSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 4789677 RUQCABKICPAEPF-PTGBLXJZSA-N 451.592 4.809 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C 20236195 MMPIVUFNAGHQPW-BVZJYVBKSA-N 481.936 4.874 10 10 JJCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4C)n3)CC2)cc1 33309939 OLAXUDQZZGKXLT-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CC)Cc3ccccc3)C2=O)cc1 33417558 DVVHVKBIBUZFFU-LTGZKZEYSA-N 454.617 4.725 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 33420995 XHROSAOGFJDRGF-MTJSOVHGSA-N 461.405 4.820 10 10 JJCE Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccco4)SC3=S)s2)c1 35640597 AYSPDHLDRKMPQY-PDGQHHTCSA-N 469.613 4.865 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCc1cc(-c2ccccc2)no1 40324275 NPFWLVXDRQOYTE-NDENLUEZSA-N 484.002 4.903 10 10 JJCE O=C1CSc2ccc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc2N1 917633879 GIJCJMHWOVDFKZ-HXUWFJFHSA-N 457.515 4.890 10 10 JJCE O=C1N/C(=C/c2c(Cc3ccccc3)nn(-c3ccccc3)c2O)C(=O)N1Cc1cccc(Cl)c1 1082767177 PSIYRZUTUYPOEZ-LFVJCYFKSA-N 484.943 4.915 10 10 JJCE COc1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 1084033642 UYKOYJVWMHFLIR-VBKFSLOCSA-N 472.353 4.624 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860760889 GZUSMZYMNVZIPZ-UHFFFAOYSA-N 468.550 4.563 10 10 JJCE CC(C)CC1=NN(c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2)C(=O)C1 1866192515 XRBMQIMOEVRJBQ-HHHXNRCGSA-N 489.664 4.848 10 10 JJCE C[C@H]1COC[C@H](C)N1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868563890 ITQKRRPMSWXTHV-ROUUACIJSA-N 491.551 4.671 10 10 JJCE CCNC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971420 FZCHSIANWKUGRV-UHFFFAOYSA-N 482.584 4.767 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c([N+](=O)[O-])c1 1873424493 QGPJBIVAFAUSKM-UHFFFAOYSA-N 474.517 4.611 10 10 JJCE CCN1CCc2cc([C@@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163130101 DWFKUWKFVXPVMX-NAKRPHOHSA-N 465.638 4.913 10 10 JJCE CC(C)(C)OC(=O)NC1([C@@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)CC1 2163152367 SFCHZLNPYOHVQO-VWLOTQADSA-N 464.654 4.846 10 10 JJCE COc1ccc(CCN2C(=O)C(=CC3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1OC 2296540221 BOCQJGIBWYVJBZ-OAHLLOKOSA-N 453.585 4.855 10 10 JJCE COc1ccc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1Cl 2297298915 OFMOLJPTHJWZFD-UHFFFAOYSA-N 467.928 4.963 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 2297347630 OWCMUQVNTPNHNB-UHFFFAOYSA-N 482.334 4.795 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 2297554691 SFSYHZQMQIEQFR-UHFFFAOYSA-N 477.655 4.573 10 10 JJCE COc1cc(OC)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1Br 33436487 FWXAGNJSKLUJOU-WOJGMQOQSA-N 464.406 4.910 10 10 JJCE COc1ccc(CC2=NN3C(=N)/C(=C\c4ccc(-c5ccc(F)cc5)o4)C(=O)N=C3S2)cc1OC 33561178 HMIOKVUJHILPRM-URLWSPITSA-N 490.516 4.965 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)c1C 39835783 QHSGOCNTJOHRJT-LDADJPATSA-N 451.573 4.713 10 10 JJCE CN(C)c1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 39919757 ALYKZYOMWAUTKC-QHCPKHFHSA-N 485.371 4.736 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 40937946 YZQXEXYICDUVQM-LDADJPATSA-N 492.416 4.792 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526468351 DFEUFIYJDVLQOJ-VWLOTQADSA-N 488.540 4.614 10 10 JJCE O=C(N[C@@H](C(=O)O)c1c(O)cccc1Br)OCC1c2ccccc2-c2ccccc21 642884465 JDMWADILSNQXAV-OAQYLSRUSA-N 468.303 4.819 10 10 JJCE Cc1ccc(CN(Cc2nc(O)c3cnn(-c4ccccc4)c3n2)c2ccc3c(c2)OCCO3)s1 728927574 DYVXTRPRKRJIQP-UHFFFAOYSA-N 485.569 4.869 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)cc2)CC1 1138228714 ITGPDMYFMXQQEC-UHFFFAOYSA-N 454.014 4.527 10 10 JJCE CC(=O)N1CCC(N(Cc2ccc(N(C)Cc3cccs3)cc2)Cc2cncs2)CC1 1205960517 SHWZAUGFGLRXNB-UHFFFAOYSA-N 454.665 4.854 10 10 JJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 1860087504 BUDZHBSLXHQWMB-UDWIEESQSA-N 458.605 4.964 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc(F)ccc2F)sc(C)c1-c1ccc(C)c(C)c1 1860748525 DWMZNGDDDWCTMP-UHFFFAOYSA-N 458.486 4.982 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CC[C@H](C)C2 1866279223 QWJOALNLZGCXNT-ZWKOTPCHSA-N 495.645 4.641 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)C(C)C)CC2)cc1 1868691316 JLQNAKPEAQMKCU-IAPPQJPRSA-N 479.665 4.623 10 10 JJCE CCCC[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868954558 RJGGKATVJIAZCB-RUZDIDTESA-N 486.056 4.695 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873167499 KJOZCMNXFQCXKX-CJFMBICVSA-N 476.665 4.684 10 10 JJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952661586 WHKBQZDIQJLYHY-HSZRJFAPSA-N 476.485 4.991 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(NCc2cc(Cl)cc(Br)c2O)C1 2182453388 ULHXYVBLOWYVDL-OALUTQOASA-N 463.775 4.779 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 2293682600 HQQKYJRIBKVWNK-UHFFFAOYSA-N 451.331 4.687 10 10 JJCE N=C1C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2296055633 QNWUWNKDSFYPCI-UHFFFAOYSA-N 492.564 4.783 10 10 JJCE Cc1ccc(CN[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(O)c1Br 2352943449 UDJRNRHXBGNGFB-YZGWKJHDSA-N 459.384 4.742 10 10 JJCE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Br 1083940542 MTZMNWLJAOBUBV-RGEXLXHISA-N 479.330 4.722 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865029222 IUBPNBPBOJFBCA-HSZRJFAPSA-N 490.604 4.579 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079021619 FZBWGLVQFXIHJH-QGZVFWFLSA-N 482.362 4.975 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)CN1C(=O)OC(C)(C)C 2163089300 JPNGTDXSXQMSCM-MSOLQXFVSA-N 474.646 4.644 10 10 JJCE Cc1cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294011042 ZTUXWDNFOFFXIZ-UHFFFAOYSA-N 477.498 4.968 10 10 JJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296851517 MSZBZTNHJAIZSV-UHFFFAOYSA-N 493.610 4.948 10 10 JJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1C 2297468431 PBTVRJVFXXJHSZ-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE COc1ccc(C=C2SC(=S)N(CNc3ccccc3Br)C2=O)c(OC)c1 2313501776 ATDZDMQTHOHXFW-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE O=C1C(=Cc2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314400682 QGJBIBKWNGVHBE-UHFFFAOYSA-N 494.617 4.615 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@H](c3ccccc3O)C2)cc1 2314951966 OVIAJHSUJLQYEU-NRFANRHFSA-N 456.527 4.617 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 206854939 KFDSFKHNQKPKEC-LTGZKZEYSA-N 471.600 4.773 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1OCC(=O)O 210452502 FNOLAFOAXADDKS-JAIQZWGSSA-N 451.525 4.718 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)s1 211940270 AAXDTPJBPUYUHD-QGOAFFKASA-N 488.660 4.788 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526327215 DYPNPOLPKHPFOY-VWLOTQADSA-N 493.512 4.580 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526333926 SMRLNRVGJHVTJW-RUZDIDTESA-N 474.513 4.902 10 10 JJCE CC(C)(C)c1ccc(S(=O)(=O)N(CCF)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586252346 ILKMKJXUCFYKNR-UHFFFAOYSA-N 465.546 4.924 10 10 JJCE O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 725442208 JAVBRRFMDWBECP-IMWIBFENSA-N 491.525 4.920 10 10 JJCE CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1084650411 DANJIQYWKSDADQ-ATVHPVEESA-N 457.324 4.521 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccc(C(C)C)cc4)c(O)n3)CC2)cc1 1858516884 AOYOCRLMACEJDA-UHFFFAOYSA-N 492.645 4.731 10 10 JJCE CCCOC(=O)[C@@H](CC)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827200 UTOSUNUQCPKIAL-HNMKQIAWSA-N 474.604 4.612 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668397 VEWWVPGDLQYDTL-HYARGMPZSA-N 474.513 4.564 10 10 JJCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079125384 QROYMAROAPXHAN-QGZVFWFLSA-N 470.351 4.876 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCCC3)nc12 2296724073 GMBBAKDEUXZJRK-UHFFFAOYSA-N 497.045 4.658 10 10 JJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br 2313560047 HKBADPHQMJOBHS-UHFFFAOYSA-N 478.346 4.865 10 10 JJCE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(O)c(Cl)c2)C(O)=NC1=S 38170755 KHOHKBIVOSUQTO-GHXNOFRVSA-N 451.729 4.788 10 10 JJCE CCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 40927923 SXGKCEAEQUJBIL-RVDMUPIBSA-N 458.399 4.694 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C2=O)c1C 103872267 PTJLCWXONWIUHR-UYRXBGFRSA-N 464.319 4.523 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1 210734545 CVIJMVMTYWAHFB-XDJHFCHBSA-N 455.561 4.995 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526325438 CQHZAQGISPYUST-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1 526478697 HVRZDSFFDBOFOX-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE O=C1C[C@@H](Nc2ccc(N3CCOCC3)c(F)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 728062310 IEBGZNKKRHHLMH-HSZRJFAPSA-N 473.508 4.822 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)ccc1Cl 1083924009 XAONLIWBHGIBMU-LDADJPATSA-N 478.888 4.670 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)c(C)s1 1859573559 MESMSBLVRRVVOJ-UHFFFAOYSA-N 477.995 4.856 10 10 JJCE CCN(CC)c1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1 1860715382 HKZUPDGUMKDMQE-UHFFFAOYSA-N 454.796 4.773 10 10 JJCE CCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164979 BPJDITJANRACQG-UHFFFAOYSA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(CCCN(C)C)C2=O)cc1 1873166342 MHEGAZMPZYTXCD-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 1891688004 WJZNZOMUHADTAX-BDYUSTAISA-N 481.644 4.854 10 10 JJCE O=C(N[C@@]1(c2c(O)cccc2Br)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952859078 NEWMSKAZOYVDNO-CLOONOSVSA-N 494.341 4.993 10 10 JJCE COc1ccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c(O)c1 2079703138 YUEXLKSDZWMUBM-UHFFFAOYSA-N 452.214 4.537 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)F)c(CO)c2I)cc1C 2079843943 JMTRPPUWPISFJU-MRXNPFEDSA-N 462.278 4.630 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080047432 FAGJKSZZZAATNL-KRWDZBQOSA-N 498.361 4.676 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCCN(Cc4ccccc4)CCC3)ccc(N)c2C1 2096283520 KJBHNGVAOHBYSR-UHFFFAOYSA-N 450.627 4.664 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2c(O)cccc2Br)C[C@H]1C(F)(F)F 2279240061 GRSMURBXCNPANI-NHYWBVRUSA-N 453.299 4.575 10 10 JJCE CCOC(=O)C(=C(C)NCc1ccccc1)c1c(O)cc(Br)c(O)c1Br 2295927370 DQJTVJPRMLVSTP-UHFFFAOYSA-N 485.172 4.707 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N2O1 2297347672 RWXSDLLNQMFSBB-UHFFFAOYSA-N 451.910 4.865 10 10 JJCE COCCN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S 2297349621 QIKYZWBXSNFHLX-UHFFFAOYSA-N 464.952 4.675 10 10 JJCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1 2297364775 YBNAFIMLXZHNTP-UHFFFAOYSA-N 459.310 4.736 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1 2313549533 YQKFWXLURZXTKN-UHFFFAOYSA-N 456.498 4.557 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 15044427 VPRMOROPWZNZFV-HKWRFOASSA-N 484.599 4.794 10 10 JJCE COc1ccc(-n2c(-c3ccncc3)nn(CN(C)Cc3ccc(N(C)C)cc3)c2=S)cc1 16874541 YAZHJUYKNPZBHT-UHFFFAOYSA-N 460.607 4.629 10 10 JJCE CCCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33896684 DEUDDIUSIOUKHE-XLNRJJMWSA-N 466.563 4.566 10 10 JJCE COc1ccc(-c2cc(OCC(=O)O)nc(Nc3ccccc3C(=O)c3ccccc3)n2)cc1 73700889 GICGOFIIZDPTRF-UHFFFAOYSA-N 455.470 4.590 10 10 JJCE Cc1nn2c(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470302 NORFFZLBPWWQGJ-IXLJKPNMSA-N 483.582 4.628 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)ccc1OCCC(=O)O 210464066 YUTKXULESUVKDM-ZHZULCJRSA-N 473.572 4.743 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526391593 GCAXCYVOVNANGM-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cccc(OC(C)C)c5)[nH]c4c3)CC2)cc1 1861868036 MKGGNSOAGNGKCF-UHFFFAOYSA-N 470.573 4.988 10 10 JJCE CCCCc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)cc1 1873650830 XYVKMFWSLGKGMA-UHFFFAOYSA-N 498.631 4.898 10 10 JJCE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=C2SC(=S)N(CCCN(C)C)C2=O)cs1 2042449597 NCGLDTPIRGBMTR-UHFFFAOYSA-N 474.677 4.597 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1 2293559157 APLPSFDYBMVESI-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640889 HGTMRTMLQHKKCY-WZOHSFFVSA-N 484.618 4.714 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459028 FWGYBNNNXZIFLU-WZOHSFFVSA-N 454.592 4.792 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc4ccccc4c2)N3)CC1 14475245 IZPQJUAHBMZNOS-OASJLCFRSA-N 459.615 4.602 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 15046421 CTXSQRKKRMBYTF-UEMWTREESA-N 466.506 4.942 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1O 20689964 JJMMWJJJPZLNSW-FHAGJXEFSA-N 454.592 4.838 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 34848176 JZPCUWPKMREXAB-UOBPLZBXSA-N 478.643 4.923 10 10 JJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc21 40839854 MNBRHNQFUWQOOF-HNENSFHCSA-N 486.018 4.793 10 10 JJCE NS(=O)(=O)c1ccc(N=Nc2sc(=S)n(Nc3nc4ccccc4s3)c2O)cc1 585657652 MINHCKBMYMUHNS-UHFFFAOYSA-N 464.579 4.532 10 10 JJCE CC(C)CCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586620081 GQUSTDWRPAGIKK-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE CC1=NN(c2c(F)c(F)c(Br)c(F)c2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 1084418245 NPOILJJPRWDQRH-XYOKQWHBSA-N 456.237 4.878 10 10 JJCE CCc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347379 NFOUMHWXBZSVMB-MUUNZHRXSA-N 464.569 4.989 10 10 JJCE C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867703393 MNCPBFGVTMEVJL-UZUQRXQVSA-N 491.463 4.521 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873170530 DDMZKVCLOLYLAB-XMMPIXPASA-N 490.003 4.796 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c(C)c1 1873425746 FJDFPRURUBSJLA-UHFFFAOYSA-N 479.584 4.869 10 10 JJCE CCOc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873897268 ZAHCESFPZUIOJJ-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S 2040479937 DFDSVGAMAPEFRU-INIZCTEOSA-N 459.545 4.578 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)cc1C 2080052391 MTFACEQMCZXEBM-CQSZACIVSA-N 476.261 4.835 10 10 JJCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(CCCCC(=O)O)C3=O)cc2)cc1 2314548584 AIOCXQBTMCAMGX-UHFFFAOYSA-N 497.594 4.770 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)Nc1nccs1 2314828726 WRFCPYLHULDRRV-UHFFFAOYSA-N 453.570 4.775 10 10 JJCE COc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c(OC)c1 2332140626 XDWXQJRSCXCYFN-UHFFFAOYSA-N 455.230 4.815 10 10 JJCE Cc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)c1 16922796 YHUGGXXGNJZWJO-PDGQHHTCSA-N 478.542 4.922 10 10 JJCE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 39793863 HNPXCMVZONSDFR-MTJSOVHGSA-N 498.557 4.846 10 10 JJCE CC(C)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101993364 CJBWOCOFPGOMDQ-SGNDLWITSA-N 483.495 4.644 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526353758 LGWBVNDFHNVUPQ-DEOSSOPVSA-N 488.540 4.614 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526437122 YESPUXOUZJZLPC-RUZDIDTESA-N 475.497 4.765 10 10 JJCE CN(C)CCOC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1081156758 CQSASHUHUQDOBB-LDADJPATSA-N 480.533 4.830 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)c1 1084206347 JBEKHCPIOXGGJR-PDGQHHTCSA-N 465.303 4.992 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(Cl)ccc3Cl)c3ccccc3)CC2)cc1 1862258669 IJDNOFZDJYQVBX-XMMPIXPASA-N 498.410 4.822 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016488 QJQDOKRKSZIWAS-DENIHFKCSA-N 490.604 4.668 10 10 JJCE C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867336735 XGXVVDMCGZWBME-RNWIMVQKSA-N 498.671 4.881 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873166142 DNLNLPXFOFNBOK-UHFFFAOYSA-N 457.574 4.628 10 10 JJCE CCN(CC)CCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169414 NLIVJVMJCOHNQL-UHFFFAOYSA-N 498.671 4.922 10 10 JJCE COCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420604 RMYQSKXOBKRCMT-UHFFFAOYSA-N 457.574 4.939 10 10 JJCE O=C(N[C@@]1(c2ccc(Br)cc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952757914 VEZMJSXOPYWGFU-PXDATVDWSA-N 494.341 4.993 10 10 JJCE CC[C@@H](NCc1csc(CNC(=O)OC(C)(C)C)n1)c1cc(Br)ccc1O 2286733227 ABCSDQODUCXSCM-OAHLLOKOSA-N 456.406 4.877 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCC1 2294229416 RRNOJVJBIUXOKE-UHFFFAOYSA-N 472.408 4.814 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2296882435 VBIFQJHZJCMSRD-ZDUSSCGKSA-N 452.897 4.573 10 10 JJCE O=C1C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2297469149 ZWJGBMYQWKDROL-UHFFFAOYSA-N 479.514 4.620 10 10 JJCE O=C1C(=Cc2cc(Br)ccc2O)SC(=S)N1Nc1nc2ccccc2s1 2314818761 LGFNKWYVPJWYDL-UHFFFAOYSA-N 464.391 4.993 10 10 JJCE COc1cccc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1OC 2323886534 GGNNKFCPGBYWEY-LJQANCHMSA-N 454.617 4.742 10 10 JJCE COc1ccc(OCCCn2cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)cc1 20236418 GYGRCYQZKLLQAD-OWJZXNPYSA-N 456.502 4.569 10 10 JJCE Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)cc1 33424208 FIZWQMRTEXCPMU-ODJOWLHGSA-N 457.471 4.831 10 10 JJCE CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33458872 MEQATBHILSOCML-FYJGNVAPSA-N 480.659 4.512 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4cccc(OC)c4O[C@H]3C)SC2=S)cc1OC 33514446 WWCVWVSPNSIUAG-WXUSHSQQSA-N 483.611 4.864 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066413 VRPFLHFNLVILBU-QAIWHXNASA-N 480.659 4.703 10 10 JJCE COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 96468455 UYMVSYOUESEZMU-IKFXFJJLSA-N 467.909 4.565 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 210695031 IAXRPBRPIACTSZ-SFQUDFHCSA-N 466.506 4.944 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 213176310 YDTAFXHWYGTSCD-LUJRCDHRSA-N 451.573 4.795 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc4ccccc4c2)N3)CC1 226843770 IZPQJUAHBMZNOS-ONBPZOJHSA-N 459.615 4.602 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526226668 JCHNEDAANGXGQD-RUZDIDTESA-N 460.530 4.836 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526568818 VOTGDCWSUYXYPE-XMMPIXPASA-N 474.513 4.758 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526623342 DNHFOMSLAFPKSM-HSZRJFAPSA-N 465.889 4.524 10 10 JJCE CCOC(=O)c1c(NC(=O)CNc2nnc(C(F)(F)F)s2)sc(C)c1-c1ccccc1 821217497 JYGRPNFBLSLVNT-UHFFFAOYSA-N 470.498 4.821 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1O 1193292979 DSXJIRVECZTLGP-QGZVFWFLSA-N 452.942 4.603 10 10 JJCE Cc1ccc(CN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168301 QICZWVAVMCANNG-UHFFFAOYSA-N 493.611 4.559 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168944 QURUNVWVSOKHOJ-GOSISDBHSA-N 487.600 4.780 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873169531 OTWWNRNIYQINOW-NBGIEHNGSA-N 476.665 4.684 10 10 JJCE CCc1c(C)c2ccc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874016211 CKGULHBBZPOXFV-MRXNPFEDSA-N 481.504 4.845 10 10 JJCE CCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2296547595 INBDPJLIJLKNFX-UHFFFAOYSA-N 490.654 4.567 10 10 JJCE O=C1NC(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2297057016 GIVBFEAAAYPMEZ-UHFFFAOYSA-N 455.514 4.660 10 10 JJCE Cc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2297469239 NSKLBYYWWAIRHO-UHFFFAOYSA-N 483.553 4.515 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c(Cl)cccc2Cl)N3)CC1 14546736 KEQMGSLSEAZXFF-HKARXFIJSA-N 478.445 4.756 10 10 JJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15047537 FJNIKWUAPCFTOU-GQFJFNLSSA-N 451.573 4.795 10 10 JJCE COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN32)c(OC)c1 20071364 DHWMBGRZPZNBEO-QFQXNSOFSA-N 462.502 4.669 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1 33323852 SNEWHWBQYLGZIO-XJWHVNBWSA-N 468.922 4.597 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccco1 33458489 QRLSKTPZVHEVIS-XDHOZWIPSA-N 455.513 4.892 10 10 JJCE Cc1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459692 NKFRXZZQZVINHK-GNFOSXPUSA-N 492.670 4.908 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3C(F)(F)F)c3ccco3)CC2)cc1 38598198 BUYGFRLCKFLTJY-JOCHJYFZSA-N 473.495 4.600 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54311062 YUGMKYXOLPOVEE-OFVILXPXSA-N 486.678 4.639 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)sc2c1 208741720 HFRLBMHLQMBVGJ-GZTJUZNOSA-N 455.586 4.535 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526353447 QCCATXXDHTVEEI-VWLOTQADSA-N 488.540 4.614 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCSc2nccs2)CC1 1359385718 JFVBFPZAZFCFOP-UHFFFAOYSA-N 484.695 4.550 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678385 JWTLCJWMJTVXIP-LPYMAVHISA-N 476.504 4.690 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(OC(=O)c3ccccc3)cc2)N2CCCCC2)cc1 1866003611 KOABDODQPXOKFV-HHHXNRCGSA-N 471.601 4.929 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)cc1 1866010637 PJTVSBZVQQWICH-UHFFFAOYSA-N 484.021 4.940 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCCN2)sc(C)c1-c1ccc(Br)cc1 1866038859 FQGCXADNSYFORC-OAHLLOKOSA-N 451.386 4.743 10 10 JJCE CCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870955611 PFHHTKSWYLWRKB-HXUWFJFHSA-N 462.594 4.908 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccs4)c4ccccc34)[C@@H]21 1873863526 YBHYYFIQWDGKQD-AREMUKBSSA-N 470.598 4.556 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2079846947 LHIODNCECXJTDY-KRWDZBQOSA-N 472.367 4.627 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079954848 RRNQVNXTPRZNBB-LJQANCHMSA-N 482.362 4.939 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2080011929 HWJNWFSHTGBXNE-LJQANCHMSA-N 496.345 4.646 10 10 JJCE CCN[C@H](c1ccc(N(C)C)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106851224 QXZYQXYLDAVHOK-SQHAQQRYSA-N 452.643 4.573 10 10 JJCE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819080 CDTSMNBIGMMTEU-YLWPKOSRSA-N 498.572 4.681 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(Br)cc32)SC1=S 2296713449 CDUBKZUBUMMBDV-UHFFFAOYSA-N 453.427 4.967 10 10 JJCE Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C=Cc3ccc(Br)cc3)cc12 2297332711 UJFNBDWHOASAAU-UHFFFAOYSA-N 452.352 4.794 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 2297336337 ZWTYNKPGVYDPOQ-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1Cl 2297347578 JVMZZZLMMAAGMW-UHFFFAOYSA-N 467.909 4.647 10 10 JJCE O=C1C(=CN2CCCCC2)SC(=S)N1c1cc(Br)cc(Br)c1 2313609791 NHPDSJQJRYYILY-UHFFFAOYSA-N 462.232 4.904 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2314413739 GGHQSRUYJLYOFJ-UHFFFAOYSA-N 494.642 4.988 10 10 JJCE COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1OCC(=O)O 16915533 OCOJBEQMOQYBEY-FRKPEAEDSA-N 453.303 4.548 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)ccc1OCc1ccccc1F 33316166 JHOWAYSICPNQPN-ZDLGFXPLSA-N 490.443 4.649 10 10 JJCE COc1cccc2c1O[C@@H](C)C(/C=C1/SC(=S)N(Cc3ccc4c(c3)OCO4)C1=O)=C2 33523538 NYNCGRQWSUJBBJ-NPNVKNKFSA-N 453.541 4.533 10 10 JJCE CCCCN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 34877946 FSUVJBKMTTVPJG-VXPUYCOJSA-N 454.573 4.627 10 10 JJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccccc1N1CCOCC1 526501354 OMXQWLBSDBEYID-DEOSSOPVSA-N 478.932 4.645 10 10 JJCE CCc1ccc(S(=O)(=O)N(C(=O)C=C(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586265664 IJJKWAYVCZQDGW-UHFFFAOYSA-N 473.550 4.713 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 731401341 MOQQSWPEILXPKO-DEOSSOPVSA-N 497.617 4.533 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084070058 WZUOTYFZVYHCBD-OAQYLSRUSA-N 454.486 4.811 10 10 JJCE C/C(=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1OC(F)F 1533992248 MKUFRDZNXLSUJJ-MNDPQUGUSA-N 455.549 4.540 10 10 JJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344933 INVIXXWXODATFO-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864017656 QYDGCUDPZAMUBN-HSZRJFAPSA-N 490.604 4.545 10 10 JJCE C[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866695200 VKDXIORKNJJPLF-CVEARBPZSA-N 474.944 4.752 10 10 JJCE COCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170873 VEMKCFABDZNTMI-UHFFFAOYSA-N 477.992 4.654 10 10 JJCE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 2040520525 NIHBRKGFBMKJCS-UHFFFAOYSA-N 476.627 4.954 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079032268 ZWDYDIADPOIVKO-MRXNPFEDSA-N 468.335 4.887 10 10 JJCE CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C 2293163907 OOXVBQYGTNUZTB-UHFFFAOYSA-N 476.495 4.822 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 2296728778 PUKJVUQLNLLGSH-KDURUIRLSA-N 458.587 4.927 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1Cl 2296923999 MCNUDUJFRYNHTF-UHFFFAOYSA-N 451.885 4.861 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 14475642 SGPCBMCCHDUNDU-ZYLNGJIFSA-N 493.541 4.936 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccccc1C 20154723 LPRFWGCOWQNMPW-IHVOSJJMSA-N 496.614 4.791 10 10 JJCE Cc1ccccc1OCCOCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O 27531715 HOADFPODVXXQBQ-XSFVSMFZSA-N 464.008 4.954 10 10 JJCE COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1cccc2ccccc12 34736994 VGKMARAWESXTNU-LFVJCYFKSA-N 460.555 4.730 10 10 JJCE CCN(Cc1ccccc1)c1ccc(C=c2sc3nc(-c4ccc([N+](=O)[O-])cc4)cn3c2=O)cc1 254749617 UYCHCOUESMCNAH-UHFFFAOYSA-N 482.565 4.905 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526368455 SNRXQPRKSURTSS-RUZDIDTESA-N 473.573 4.893 10 10 JJCE Oc1cccc2c1[C@@H](Nc1cc(I)cc(I)c1)CC2 690396370 RIUSTTKZBOJRLS-ZDUSSCGKSA-N 477.083 4.701 10 10 JJCE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1ccccc1Cl 1082758496 NPKFTEAKXPHTCL-HYARGMPZSA-N 490.972 4.977 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868701049 XPVRTFHMSPQFQL-LBNVMWSVSA-N 483.628 4.598 10 10 JJCE Cc1ccc(C)c(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873167654 QWRVFZSDAWOHOS-UHFFFAOYSA-N 498.671 4.922 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168249 OGLCICCZAYDUBJ-QHCPKHFHSA-N 484.644 4.867 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccccc4O)c4ccccc34)[C@@H]21 1873858486 AVJFIAVJIQZYQV-HHHXNRCGSA-N 466.541 4.523 10 10 JJCE CC[C@H](C)OC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1874000069 RECPPXRVFBNAGS-INIZCTEOSA-N 466.493 4.922 10 10 JJCE CCN[C@H](c1ccc(N(C)C)cc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268801036 PMUDUGRCQMJQMB-XMMPIXPASA-N 453.627 4.857 10 10 JJCE CC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2293520682 JITGTSXQZLWEDI-UHFFFAOYSA-N 465.545 4.734 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)c1 2296539142 FIXMLAKARUDZJK-UHFFFAOYSA-N 491.638 4.884 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296664627 RWBSKTKSSIZQDB-LLVKDONJSA-N 474.412 4.642 10 10 JJCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2297451610 CNQNSJZWRAKGCN-UHFFFAOYSA-N 460.559 4.823 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4)cc3)C2=O)c1 2313556945 OZZKMHXFAJKHJG-UHFFFAOYSA-N 456.498 4.817 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)NCc1ccccc1 2314828394 STYMUBBDVMMQKM-UHFFFAOYSA-N 474.607 4.783 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 2314831294 HWMCFBJQNDXTNM-UHFFFAOYSA-N 482.505 4.737 10 10 JJCE COC(=O)c1c(NC(=O)C=Cc2cnc(OC)nc2)sc(C)c1-c1ccc(Br)cc1 2330050128 DAOGAWRFIIPSIZ-UHFFFAOYSA-N 488.363 4.723 10 10 JJCE CC1=C(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@@H]1C 3186190 VOPODFGYHLCNAT-IIMQCXAKSA-N 451.529 4.505 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471392 PSSVCHLUKGFNNV-DWKCODDLSA-N 453.926 4.984 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 16455636 YRCPCOMMPPZUPA-DEOSSOPVSA-N 471.891 4.676 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccccc3F)CC2)cc1 20289453 YTKBPGLHBHYEMG-HOYKHHGWSA-N 453.583 4.578 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33723707 VUNSPPXFKQUZNJ-QLENYVDCSA-N 456.637 4.747 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 39836151 AHUNCDQXLLFMCF-HMMYKYKNSA-N 495.626 4.731 10 10 JJCE O=C(C1=CN(c2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1 65096284 HDFNSCILYUJIBL-UHFFFAOYSA-N 472.872 4.628 10 10 JJCE CC(=O)N(c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1)C1CC1 1310820279 SWQKEFJIOOCVSV-GOSISDBHSA-N 458.509 4.594 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCCCC2)cc1 1860714989 HKFPVUREMMHUFC-UHFFFAOYSA-N 466.807 4.917 10 10 JJCE CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 1862360958 NFEWTUZFIGQDLJ-UHFFFAOYSA-N 482.584 4.909 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873169269 HVJCNGZZRHRGMN-UHFFFAOYSA-N 488.676 4.996 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 2297341010 CJQYHTQBSFSGBH-UHFFFAOYSA-N 496.614 4.710 10 10 JJCE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC 2314761516 VGHGNHQATFCOKO-UHFFFAOYSA-N 488.425 4.703 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCCc3ccccc3)nc12 33723226 STGBZYQQFHEBRM-LTGZKZEYSA-N 490.654 4.801 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S 40938082 DCZZXKSKBTUCFV-QNGOZBTKSA-N 471.600 4.819 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 59397693 SCEGFEBTUKRJII-CHHVJCJISA-N 451.323 4.777 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)N(C)Cc4ccco4)[C@H]3C2)cc1 97946779 YJRKSNHVRWXLPG-ILBGXUMGSA-N 499.533 4.833 10 10 JJCE CC(C)[C@@H]1C[C@H]([C@H](C[C@@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O 255963752 AZMFFFCHYNXWLN-CRSSMBPESA-N 456.543 4.505 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1F 731363250 ADMNHSCHPZSJHP-QHCPKHFHSA-N 472.992 4.983 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(Cl)c3)c3nnc(C(C)C)o3)CC2)cc1 1858122512 IZMRNLJQWJHAME-JOCHJYFZSA-N 468.985 4.726 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc(OC)c1OC 1858593957 FUBLLXLYIIJVOS-OMNSNBSWSA-N 484.643 4.751 10 10 JJCE COc1ccc(N2CCN(C(=O)COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C)CC2)cc1 1860268636 YVILWDRFJXJLLX-UHFFFAOYSA-N 484.552 4.505 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2OC)sc(C)c1-c1ccc(OCC)cc1 1860748107 MFZCPRWMCFOEPP-UHFFFAOYSA-N 482.558 4.885 10 10 JJCE COc1ccc(/C=C(/C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1OC 1865914345 XQIXYYOXJQCDAO-PDUUCECCSA-N 496.611 4.950 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868710584 GHWQCGWWZPVMRJ-AHKZPQOWSA-N 497.655 4.906 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873165655 OLZZCTPGOYNEJN-NTKDMRAZSA-N 463.622 4.767 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873168056 HUDUHUODZDRCPK-CPJSRVTESA-N 485.632 4.629 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170831 SIWRLSXYJCWOJW-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE CN(Cc1ccc(I)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2054254486 BBNLQUYTXPUKJQ-UHFFFAOYSA-N 452.336 4.952 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2080000109 PFIUWXBVOVTMHL-QGZVFWFLSA-N 454.308 4.527 10 10 JJCE CCN(CC)c1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1 2205546352 HBGNUJXRDKCYKT-AREMUKBSSA-N 466.670 4.744 10 10 JJCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cc(Cl)cc(Cl)c2O)C1 2259378568 SWHVDQODGPKKOI-UHFFFAOYSA-N 490.428 4.645 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc12 2294094876 BOLISTACNLOSFB-UHFFFAOYSA-N 465.303 4.667 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 2297344704 XTJPBJMNDUPAIK-UHFFFAOYSA-N 478.574 4.962 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNC(=O)Nc1cccc2ccccc12 2297512642 ZRBUODDPGKTGMQ-UHFFFAOYSA-N 496.308 4.873 10 10 JJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 2313560223 NCRNBGOFNCHHFN-UHFFFAOYSA-N 478.346 4.865 10 10 JJCE Cc1[nH]c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc1Cc1ccccc1 9946846 QWIJLVSZWDIXSL-UHFFFAOYSA-N 467.550 4.815 10 10 JJCE COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59567170 CGIANMWGIOWSNA-UHFFFAOYSA-N 486.433 4.550 10 10 JJCE COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205959303 DVIBUCNBZMCOET-LFVJCYFKSA-N 489.503 4.767 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1 226658741 UJDDTMOQAJLNAM-MVERNJQCSA-N 451.636 5.000 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 914840501 HFEXQNROSNJHPG-UHFFFAOYSA-N 466.538 4.856 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873424994 ONHZTFLNYYXPBN-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1875214364 PQDJXPJINDCLMK-UHFFFAOYSA-N 498.631 4.663 10 10 JJCE Cc1ccc(C)c(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 2293128222 BMMUDTPIUHGKKP-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 2297454098 LJUKBIVLFSPBDG-UHFFFAOYSA-N 455.514 4.827 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OC)c([N+](=O)[O-])c1 2313510848 ZFOIODWFFGRIGO-UHFFFAOYSA-N 463.273 4.787 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 2314831089 CHRFRNGJSBKMFJ-UHFFFAOYSA-N 476.664 4.727 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O 2314931459 FRCIAOLQTKJGCW-OAHLLOKOSA-N 463.964 4.996 10 10 JJCE Cc1c(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(Cl)nn1-c1ccccc1 1098638 UNACCRAEAXQVST-HUMIGVHUSA-N 452.952 4.563 10 10 JJCE COc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(O)c1 34683507 FHAGSFPURRJCBZ-UHFFFAOYSA-N 452.501 4.990 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)c1 39835756 VQFXOXMIHPDRJB-LDADJPATSA-N 451.573 4.713 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1 170549579 BLMKBABPWHBONH-UHFFFAOYSA-N 477.995 4.527 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)CC2)cc1 248123525 GIIUDWNIIFQKCV-UHFFFAOYSA-N 462.937 4.757 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526201190 QDEKWBTUBWGMMD-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE Oc1cccc(Br)c1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706863892 XVVZRTKGMSUKBV-UHFFFAOYSA-N 467.407 4.716 10 10 JJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1084635453 IFHIGASWUGMNIO-LGMDPLHJSA-N 455.297 4.958 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCSc2nccs2)[C@@H](C)C1 1596172523 ROMHABOUPBXRBW-SFHVURJKSA-N 498.722 4.939 10 10 JJCE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1ccccc1C(F)(F)F 1858687793 RZMJJSOZLOPOBW-CYBMUJFWSA-N 460.412 4.700 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(Oc4ccccc4)ccc3[nH]2)c2nccn2C)cc1 1866537152 XUUUJHWCQWKKSW-MHZLTWQESA-N 493.567 4.639 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873167505 KNVFPVXDJYKDFZ-UHFFFAOYSA-N 488.676 4.996 10 10 JJCE CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C2=O)cc1 2059061552 IFRIXCAKNJASQP-DXEVYPJMSA-N 456.633 4.923 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2079846948 LHIODNCECXJTDY-QGZVFWFLSA-N 472.367 4.627 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2CN=[N+]=[N-])cc1I 2124514986 HXUCHEWXPLUFTF-LBPRGKRZSA-N 471.299 4.553 10 10 JJCE CC(C)(C)OC(=O)NCC1(NCc2ccc3c(c2)CCCO3)CCN(Cc2ccccc2)CC1 2187397601 APJQBZKXWKDTGP-UHFFFAOYSA-N 465.638 4.661 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1 2294204901 QXNNSBOSHDRNKI-UHFFFAOYSA-N 497.916 4.738 10 10 JJCE CCOC(=O)c1c(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)sc2c1CCC2 2297459391 BUGUENGYFITOOU-UHFFFAOYSA-N 474.380 4.895 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2314739948 CFPIEPQNKGZHKX-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=CC=Cc2ccccc2)SC1=S 2314831309 ICYPZTJQZMJQPI-UHFFFAOYSA-N 474.648 4.766 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)cc1OCC 2323775082 YMQUSBIMTWJCSL-UHFFFAOYSA-N 458.561 4.836 10 10 JJCE CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469143 RTGWGBLORGYGOY-XHGXUTKZSA-N 470.591 4.524 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 15036049 HMVFFFBSKVNBLK-PDGQHHTCSA-N 454.573 4.522 10 10 JJCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 15046563 IUEXZGXKYQFWCU-JWHLFPLYSA-N 482.505 4.648 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccccc4)cs3)CC2)cc1 21656641 RSSQIKWPPMXGNY-UHFFFAOYSA-N 458.587 4.636 10 10 JJCE Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)nccn3n2)cc1C 33266658 JUNFDKRBPZKCOR-UHFFFAOYSA-N 482.632 4.612 10 10 JJCE O=C1N=C(O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 33316842 KXAONCCIGNRIPU-NDENLUEZSA-N 461.405 4.820 10 10 JJCE COC(=O)c1ccc(C(=O)OC)c(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 54620958 HXHWKBHCJAHWPD-JOCHJYFZSA-N 460.461 4.854 10 10 JJCE Cc1ccc(O)c(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210498967 YHUGGXXGNJZWJO-LDADJPATSA-N 478.542 4.922 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526589012 ZNBHMDFPCGXLQE-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1265565837 CCKRWIXEUHAKFT-CMPYXILNSA-N 455.299 4.832 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2C)sc(C)c1-c1ccc(Cl)cc1 1860747024 PWLXCYJVGAKIHW-UHFFFAOYSA-N 457.939 4.834 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009795 DVEUSJPCPMEABS-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(N(C)C)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866502473 LLIQNZZJRADNLD-UHFFFAOYSA-N 475.570 4.978 10 10 JJCE CCN(CC)CCCN1C(=O)C(NC2CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165518 MJISCMFCPSCWMG-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166684 WLZYZEUPNJFVFV-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873168476 WMXRKRNKYVCQEF-LJQANCHMSA-N 471.601 4.813 10 10 JJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC(C)C)cc2)C1=O 1873170114 OIYGDGCZXFVJQI-UHFFFAOYSA-N 485.584 4.549 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(C)C)c(C(=O)O)c2I)cc1C 2079955422 AMPGRGFIUWRVEI-KRWDZBQOSA-N 456.324 4.877 10 10 JJCE O=C(Cn1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 2293835827 XJMVZQJKVXNXLS-UHFFFAOYSA-N 487.606 4.952 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F 2294353264 NKZILFSWQOZCHC-UHFFFAOYSA-N 466.509 4.598 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1Cl 2297470409 RFIIHUMQMBWBAC-UHFFFAOYSA-N 481.887 4.938 10 10 JJCE CC1=NN(c2c(F)c(F)c(Br)c(F)c2F)C(=O)C1=Cc1ccc(N(C)C)cc1 2313501692 NPOILJJPRWDQRH-UHFFFAOYSA-N 456.237 4.878 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CNc3ccc(I)cc3C)C2=O)o1 2313503170 WLRXYXVERFHOOV-UHFFFAOYSA-N 470.357 4.772 10 10 JJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C(=O)NC1=S 2313656552 DAHMXURDWNAJHC-UHFFFAOYSA-N 482.403 4.656 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 10910051 GWQNMPWPXIOBKM-HHHXNRCGSA-N 486.593 4.849 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccccc1C(F)(F)F 15037763 VDXWRJIFLWOQSQ-WJDWOHSUSA-N 452.479 4.641 10 10 JJCE Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 33315761 LPSIOLZZDJSMHY-SRZZPIQSSA-N 494.504 4.816 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)ccc1O 36551206 UAQOSJDXLCJSGI-NOMHHCBYSA-N 474.582 4.979 10 10 JJCE CCCCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 54454469 NAQKSTULMCGWIA-QHCPKHFHSA-N 472.651 4.541 10 10 JJCE O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 109868520 FTFGQYFBLVQDIX-MUUNZHRXSA-N 477.520 4.836 10 10 JJCE O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)SC1=S 205771344 NNWYOPSOWBTXAM-HTXNQAPBSA-N 480.652 4.913 10 10 JJCE CCc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586264337 PFAPDWNGPHCJKK-UHFFFAOYSA-N 475.566 4.792 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4C)o3)C2=O)c1 1083922003 CKAJHMPTPLVZOO-UNOMPAQXSA-N 465.303 4.992 10 10 JJCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705811683 IPXKMXCEOHACLS-CTNGQTDRSA-N 469.655 4.577 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)sc(C)c1-c1ccc(OCC)cc1 1860762300 BANALBWAVFXURD-DNVCBOLYSA-N 472.607 4.932 10 10 JJCE CC[C@@](C)(NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861963081 NOIFFIFXDGUDNS-HSZRJFAPSA-N 498.838 4.903 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862210094 ZJEQAZVSBGQRMW-BKMJKUGQSA-N 495.664 4.610 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCC(C)C)CC2)cc1 1870355027 VRWPGIXEDBKMJM-UHFFFAOYSA-N 455.643 4.650 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170450 ZXXBLHORHBBXSW-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE COc1ccccc1-c1ccc(N2CCC(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)CC2)nn1 1891073111 HLQBSZBSPYYCLX-DHLKQENFSA-N 497.643 4.674 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1 2040526827 DFZSPYYUOSNLDT-QZTJIDSGSA-N 474.586 4.627 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2078994057 KXROLFQEXXOFFP-QGZVFWFLSA-N 468.335 4.801 10 10 JJCE CN(C)c1ccc([C@](C)(CO)N2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 2235408973 XRGFTOBFURDELS-HKBQPEDESA-N 499.655 4.917 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccccc2Cl)c1C 2294034629 NSPRFPULOPZELK-IBGZPJMESA-N 454.954 4.599 10 10 JJCE Cc1ccc(CN2N=C(c3ccccc3)C(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)cc1 2332141154 JQKZOGOCOZRRFP-UHFFFAOYSA-N 455.470 4.505 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccc(Cl)cc1 2332141458 WSBITUAFVNXSIW-UHFFFAOYSA-N 461.861 4.854 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14460992 FBYZAAKFCHKDAJ-WHSLLNHNSA-N 463.397 4.668 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@H]32)ccc1O 20692978 UAQOSJDXLCJSGI-GNMOFYLKSA-N 474.582 4.979 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc4ccccc4c3)c3ccco3)CC2)cc1 38598143 SGNGNAJASXFBHN-SANMLTNESA-N 455.558 4.735 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)[C@H](c3ccccc3O)C2)cc1 206358424 URZFBKNFPXHJLE-YQNSVDCASA-N 471.538 4.928 10 10 JJCE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 383272341 OXRUKPFSTPHGFY-NRFANRHFSA-N 450.627 4.520 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526277108 KLQMCXSHOMKHJS-RUZDIDTESA-N 472.541 4.995 10 10 JJCE O=C(Nc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)[C@H]1CCCO1 917636572 CLOHCWKFGIIORO-BJKOFHAPSA-N 483.528 4.964 10 10 JJCE CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 1642549102 SAZFVVBEPGBJGU-IBGZPJMESA-N 450.608 4.824 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016490 QJQDOKRKSZIWAS-SIKLNZKXSA-N 490.604 4.668 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CC[C@H](C(C)(C)C)C2 1866047316 CFKNRNVEHCVWNK-MSOLQXFVSA-N 468.619 4.673 10 10 JJCE CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2040481290 NBPCKIHCOWVKJF-UHFFFAOYSA-N 490.604 4.795 10 10 JJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)oc12 2053528064 QBVGJLLXYAPECW-UHFFFAOYSA-N 486.553 4.597 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2296882098 IVNZKITXBSOBQB-LJQANCHMSA-N 466.496 4.882 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 2297319073 LFKWHOZPEUOXAL-UHFFFAOYSA-N 488.135 4.933 10 10 JJCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2297467982 VJDZQRNGHCPJMO-UHFFFAOYSA-N 454.559 4.719 10 10 JJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297511634 UGXKCELMPUTHPF-UHFFFAOYSA-N 480.977 4.537 10 10 JJCE O=C1C(=CNNc2nc3ccccc3s2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 2297732998 ZBZCKNDXKOPCSY-UHFFFAOYSA-N 460.466 4.672 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1C 2313548889 IDDDEYXJHMFUFD-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE O=C(C=Cc1ccco1)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 2329399258 DKCFNAMJEWHAJU-UHFFFAOYSA-N 492.487 4.996 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33474125 UVVARKOMLYDZHV-CYVLTUHYSA-N 470.664 4.775 10 10 JJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 35387250 NSKLBYYWWAIRHO-XTOVRFJNSA-N 483.553 4.515 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 64928973 VGKDRNWGIBMPPU-JOCHJYFZSA-N 461.585 4.662 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 210498120 JKNYSPFDRGYJHA-SFQUDFHCSA-N 492.525 4.606 10 10 JJCE O=C(O)CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S 210605240 LGKXVVADZDWYAF-NHQRWSAVSA-N 467.568 4.762 10 10 JJCE COc1cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1OC(C)C 213809466 QYQLKKRAINQMET-UITAMQMPSA-N 478.511 4.667 10 10 JJCE CCOC(=O)c1sc(N=N[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)nc1C 1084390018 XLPHGAGXLFQHOA-INIZCTEOSA-N 468.564 4.935 10 10 JJCE CCOC(=O)c1c(NC(=O)c2cc[n+]([O-])cc2)sc(C)c1-c1ccc(Br)cc1 1866045103 VYKJZSJZMWVUAM-UHFFFAOYSA-N 461.337 4.548 10 10 JJCE CC[C@](C)(NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868729827 UFPGFPVETFRXFC-LJAQVGFWSA-N 479.665 4.695 10 10 JJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccccc2)C1=O 1873167392 FHJXNHYCJNKACL-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419008 LAHDCTCFJFKVJE-UHFFFAOYSA-N 492.535 4.610 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(Br)cc5)nc4c3)CC2)cc1 1873506690 OVHRRTRPTZRZIC-UHFFFAOYSA-N 491.389 4.963 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C(C)C)cc3)n4C)CC2)cc1 1873650745 UGBCUJKCYYQXPM-UHFFFAOYSA-N 484.604 4.679 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1O 1952828705 DFTWKHSWIMDQIM-ZJSXRUAMSA-N 474.469 4.697 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2078994053 KXROLFQEXXOFFP-KRWDZBQOSA-N 468.335 4.801 10 10 JJCE O=C(O)c1ccc(Cl)c(-c2ccc(C=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 2297498982 ADNVHGRPCNGCAL-UHFFFAOYSA-N 484.942 4.844 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1Br 2314732780 YANJRJGNWMTEFD-UHFFFAOYSA-N 450.335 4.562 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)c1ccc(Br)cc1 2314764838 NPCVRBPDKJULMP-UHFFFAOYSA-N 498.221 4.758 10 10 JJCE CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1 33148388 CFLSVTXNWURTCW-QNPCYTEQSA-N 473.558 4.758 10 10 JJCE COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 59396608 ONPKXJPGPSMRGR-PXNMLYILSA-N 452.351 4.578 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 59861978 BVIDHWRBAXAFRT-XDHOZWIPSA-N 477.429 4.769 10 10 JJCE COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O 83318970 OVKNOZDHBOYAPQ-XFFZJAGNSA-N 498.102 4.866 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 113865996 FRTYABBVQGPJJW-JWGURIENSA-N 489.582 4.541 10 10 JJCE CN1C(=O)/C(=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2cc(Br)ccc21 197778269 ROVUQMHMQVQURH-CCEZHUSRSA-N 465.781 4.855 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 206718672 UMYIFJNNWPDYDZ-FMQUCBEESA-N 460.621 4.528 10 10 JJCE COCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 213199782 WECNXRRVXFZVAL-ZHZULCJRSA-N 495.626 4.650 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526352027 UNQKASJCDJPQJJ-RUZDIDTESA-N 489.524 4.976 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526354371 XXXIPDRJAZGERK-OAQYLSRUSA-N 451.862 4.595 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2)[C@@H]1c1ccc(N(C)C)cc1 526527538 PDJNTICRJDMQIZ-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526542854 UQPVRHBNVBVEIL-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C(C)=O)[C@H]1c1ccc(O)c(O)c1 526614415 GXGQBBRFEHZKPE-DEOSSOPVSA-N 475.497 4.765 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1N=Nc1cccc(-c2cccc(-c3nn[nH]n3)c2)c1O 606503351 KWJKFQSAMABKBG-QFIPXVFZSA-N 466.505 4.731 10 10 JJCE in-man CCCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1083860629 NALYRQIUCNBXIC-LGMDPLHJSA-N 471.351 4.911 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 1083940803 FPJZUYKHQPBTGS-ZDLGFXPLSA-N 498.869 4.872 10 10 JJCE CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Cl 1084306578 SOTDKVOUCMRAMZ-AQTBWJFISA-N 478.888 4.752 10 10 JJCE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)c(F)c1 1705868137 CIJLFJWVAYQFRO-UHFFFAOYSA-N 479.629 4.647 10 10 JJCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 1860084022 LIVGISIOEWLBBV-MKMNVTDBSA-N 450.954 4.980 10 10 JJCE CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(Cl)cc12 1860266647 KECOPWVWFYCZAM-KRWDZBQOSA-N 484.980 4.524 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cccc(C(C)(C)C)c3n2)c2nccn2C)cc1 1866517367 PYFIFIZNNSNNCW-HSZRJFAPSA-N 457.578 4.557 10 10 JJCE CCCN1C(=O)C(NCCc2cn(C)c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162041 DBVXCUSOKGXHBK-UHFFFAOYSA-N 480.612 4.908 10 10 JJCE CCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162420 UORCHEWWORSLGR-UHFFFAOYSA-N 471.601 4.815 10 10 JJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)c1 1873419691 ABGZBFOVLQWKTA-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE C[C@H](N1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O)C12CC3CC(CC(C3)C1)C2 1874017737 UUVCUZCFKSIQJN-NTGFOTNXSA-N 496.607 4.854 10 10 JJCE COc1ccc2nc(N3CCC(C(=O)NCc4ccc(N5C[C@H]6CC[C@H]5C6)cc4)CC3)sc2c1 1891595439 PSUZOZLDJQFATM-UGKGYDQZSA-N 476.646 4.826 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951869682 DRHUREFQYKIKNN-SFHVURJKSA-N 487.144 4.534 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2040470223 MHPHXJSCBZGODN-LJQANCHMSA-N 471.600 4.533 10 10 JJCE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296731293 LRDWWFDWWWFJIH-UHFFFAOYSA-N 481.624 4.937 10 10 JJCE Cc1ccc(Sc2oc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Br)cc1 2297310610 BSSUUYSLJCEFIH-UHFFFAOYSA-N 470.391 4.788 10 10 JJCE Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 2297357799 PRGSAAUOMQBULL-UHFFFAOYSA-N 470.525 4.505 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)N(c2ccccc2)C1=O 2313559928 BSIUMNJHCMWAFF-UHFFFAOYSA-N 498.276 4.560 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 2314837670 VPVGIMNICIKRHO-GFCCVEGCSA-N 466.506 4.942 10 10 JJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cccc(Br)c2)C1=O)C(=O)O 2314932564 WNYAWFNJKOGLSZ-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c(OC)c1 2321647272 ZUUPPACFTHLDIL-UHFFFAOYSA-N 451.982 4.781 10 10 JJCE COc1ccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1OC 2323882300 MCCDUXDGMGQQSH-IBGZPJMESA-N 454.617 4.742 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)c2C)c1 8643932 TZWBQKWTZGQCGZ-SANMLTNESA-N 461.587 4.774 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)NCc1ccccc1 15037136 STYMUBBDVMMQKM-HAHDFKILSA-N 474.607 4.783 10 10 JJCE CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 33394401 LVQIOAHGZTVVGG-FYJGNVAPSA-N 471.600 4.737 10 10 JJCE CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 102975739 LPVYRKRHRBEQIE-JQFNYASXSA-N 476.532 4.708 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(O)c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 108420140 UJQJLSNGAFFKQJ-JVBWRSBESA-N 492.539 4.829 10 10 JJCE CCCCN(C)C(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917637775 GJZZIVSKVDUXNP-XMMPIXPASA-N 475.593 4.704 10 10 JJCE COc1c(Br)c(C(=O)Nc2cccc(N(C)C)c2)c(Br)c(OC)c1OC 1859468041 MKLNGYGFQQWLMC-UHFFFAOYSA-N 488.176 4.556 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861963049 NAGYBNWYGTTXAZ-UHFFFAOYSA-N 484.811 4.513 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2C)cc1OC 1865675411 GJYNNVDCIKTQLI-PXLXIMEGSA-N 481.568 4.663 10 10 JJCE COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)CC1=O 1865924604 ZPTBZGGOEVZKNM-HNNXBMFYSA-N 451.910 4.715 10 10 JJCE CCCCOCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870351903 VVMAJSKWYZWVEA-UHFFFAOYSA-N 499.696 4.811 10 10 JJCE CCN1C(=O)C(=Cc2cc(Cl)c(OC(=O)c3cccc(OC)c3)c(OC)c2)SC1=S 2293794958 SHDDEKQSOGZJOD-UHFFFAOYSA-N 463.964 4.798 10 10 JJCE CN1CCN(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)CC1 2314489463 QBECNTFMKYRDKX-UHFFFAOYSA-N 454.404 4.617 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 2323866086 PGTGHLDTLPYTJE-GOSISDBHSA-N 471.600 4.771 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 15036071 YZYPFGGAUUCGMZ-ZSOIEALJSA-N 467.355 4.532 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15047178 ZLAAWWWKPZEOSZ-GQFJFNLSSA-N 479.583 4.573 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCC2)SC1=S 39989987 HFZWTJCNLRAXRD-HKWRFOASSA-N 472.680 4.820 10 10 JJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 72413287 IZGJEIHZKUIKNQ-VWLOTQADSA-N 489.547 4.860 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526180033 YZFXEXGQHQIGPN-NRFANRHFSA-N 471.868 4.965 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526258481 YBCNHXKNJWIOIL-QHCPKHFHSA-N 463.461 4.861 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 526508967 CZJCFONLPIYNIO-VWLOTQADSA-N 474.513 4.821 10 10 JJCE CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C1=O 1084635454 IFHJHUCWMJPEDR-MFOYZWKCSA-N 486.753 4.587 10 10 JJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](c1ccco1)N(C)C 1705606274 ZABIRHOGHHYBNI-XMMPIXPASA-N 456.594 4.708 10 10 JJCE CCc1sc(NC(=O)[C@H](C)[C@H](C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866261819 FAPNKEUZEFLTTM-MNOVXSKESA-N 468.369 4.822 10 10 JJCE CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650275 OZQUIDHUILPKKR-UHFFFAOYSA-N 484.604 4.656 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1900167466 XIHIAJLNDZILQO-QHCPKHFHSA-N 476.573 4.763 10 10 JJCE CN(C)Cc1cc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952213939 ODNKOENGAHZKGN-RUZDIDTESA-N 474.557 4.898 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080022489 KYPQKIKLUGGNHX-QGZVFWFLSA-N 484.334 4.803 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 2175028252 YVKYSJIORQLRSR-CZUORRHYSA-N 459.812 4.981 10 10 JJCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1 2293415050 NULRKEWOYHEYQE-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)ccc1Cl 2297499252 KJESMXIMZJBMPA-UHFFFAOYSA-N 464.952 4.845 10 10 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CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(F)(F)F)CC1 1760597116 DJBPUYUCBNZUDN-UHFFFAOYSA-N 488.558 4.754 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(Br)cc1 1857996945 QENPEZAZUAKWJS-UHFFFAOYSA-N 494.342 4.873 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)sc(C)c1-c1ccccc1 1860747334 FGXBHOKXOISUTE-UHFFFAOYSA-N 498.557 4.503 10 10 JJCE CSCC[C@H](NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811061 CPJLUVRGRGUUHD-XGAHLHMBSA-N 498.604 4.742 10 10 JJCE Cc1ccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871157984 MZNSSIWMUGHSGL-UHFFFAOYSA-N 498.583 4.522 10 10 JJCE O=C(N[C@@]1(c2cc(F)cc(F)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952912745 FGXDEYHYSLHALJ-NBGIEHNGSA-N 451.425 4.509 10 10 JJCE Cc1ccc([C@@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(O)c1 2084896731 HCPIPCQBAOENJA-QGZVFWFLSA-N 451.608 4.549 10 10 JJCE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2112858711 KZJATXZXJVCVBJ-OAQYLSRUSA-N 450.627 4.663 10 10 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CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2533229 XGQCSUCQXKXJIR-QURGRASLSA-N 497.617 4.963 10 10 JJCE Cc1nc2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c(O)c1Cc1ccc(Cl)cc1 8592919 MCDQXVFAEOXYBT-UHFFFAOYSA-N 455.345 4.613 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 20712309 XIHDQSZIXUWARO-YVHKJVDXSA-N 465.402 4.841 10 10 JJCE CCOc1cc(OCC)c(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1Br 33409254 DNTVTCKEYMSTJT-GDNBJRDFSA-N 475.364 4.918 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526153996 SQSXLNJZWUTVSG-NRFANRHFSA-N 468.303 4.926 10 10 JJCE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526567624 OVOHPTTZRJSTML-VWLOTQADSA-N 489.524 4.657 10 10 JJCE COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 729278814 WBNLGNPGFSMDJX-LBPRGKRZSA-N 461.287 4.981 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1-c1ccccc1 1860747593 PJQSRWHMRKPGJJ-UHFFFAOYSA-N 467.503 4.694 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)C[C@H](CNC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1865983340 MJDAAYINMQJLCL-HXUWFJFHSA-N 455.480 4.651 10 10 JJCE Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867900555 ABZJBCOGZOPULL-VMPREFPWSA-N 498.671 4.876 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccccc5C4)nc(Cc4ccccc4)n3)CC2)cc1 1867945262 IYCHCFNWOAWJLK-UHFFFAOYSA-N 491.639 4.965 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868710587 GHWQCGWWZPVMRJ-XNMGPUDCSA-N 497.655 4.906 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3cccc(C)c3)CC2)cc1 1870436226 PYGLFVWTLRKRPG-UHFFFAOYSA-N 475.633 4.571 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1cc([N+](=O)[O-])ccc1O 1952829525 MLCMAOJLDDEUAN-HYBUGGRVSA-N 474.469 4.697 10 10 JJCE CC(C)[C@@H](CCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2163087402 NCUUKDYAZKDLRE-OAQYLSRUSA-N 476.662 4.938 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(NC(C)=O)cc4)cc3)C(=O)N=C2S1 2297347337 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JSQHMPBIQTYXAD-UHFFFAOYSA-N 470.573 4.598 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)[C@H](C)C(=O)N2 1859572842 KZEWAWDNUSLLIF-VIFPVBQESA-N 478.939 4.537 10 10 JJCE Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1860279718 AGADMHOENIFMMV-UHFFFAOYSA-N 469.493 4.827 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)cccc21 1860589392 DZKXGNDKOANJPW-UHFFFAOYSA-N 486.955 4.535 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748797 MEZTVNMXDAOVPF-UHFFFAOYSA-N 464.543 4.907 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862211415 GRVFEEONWITNRL-WXVAWEFUSA-N 495.664 4.610 10 10 JJCE CCOC(=O)c1c(NC(=O)CCC(=O)c2ccc(Br)cc2)sc2c1CCC2 1865944391 KKCDSRDOBQPXRV-UHFFFAOYSA-N 450.354 4.778 10 10 JJCE CCc1sc(NC(=O)CCc2cncnc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866149048 YGUBZJLVUQOKEQ-UHFFFAOYSA-N 474.380 4.888 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873166131 DGJNNPIVDTXOSV-QHCPKHFHSA-N 490.003 4.796 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418692 VBBXIFYKFRIXCP-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE CCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873420503 NRAPTVKCBBAJHP-UHFFFAOYSA-N 473.573 4.640 10 10 JJCE CCCOc1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1873506905 UQMSCVXASIRUEY-UHFFFAOYSA-N 470.573 4.990 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(C)c(C)c4)c3)CC2)cc1 1874730579 UXJCOARODNVKDZ-UHFFFAOYSA-N 486.612 4.855 10 10 JJCE CCN(CC)c1ccc([C@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2163144791 AJVALHJSJXCELE-LBNVMWSVSA-N 466.670 4.963 10 10 JJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2293332635 USCHEGWTLRUPFS-OAHLLOKOSA-N 458.470 4.825 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296703991 GSOCQYDGMFBVPQ-UHFFFAOYSA-N 490.654 4.703 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2296714400 VQHRIWJJGHIWFW-UHFFFAOYSA-N 497.480 4.984 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OCCOc1ccc(OC)cc1 2297500090 JBFVGMRFYIRLAR-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccccc1C(F)(F)F 2314828669 VDXWRJIFLWOQSQ-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)C=Cc2cccc(Br)c2)N2CCCCC2)cc1 2329590689 SRAYOSPCPJXKSU-HSZRJFAPSA-N 456.428 4.872 10 10 JJCE CC[C@](C)(NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330441359 ZMYDGPDSGHGSOZ-VWLOTQADSA-N 490.431 4.649 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11858044 VIESSWGVELEBNR-UHFFFAOYSA-N 471.604 4.572 10 10 JJCE COC(=O)c1cc(C2(c3ccccc3)C(=O)c3ccccc3C2=O)c(C(=O)OC)c2ccccc12 59370502 YGCDZICQSDTBDP-UHFFFAOYSA-N 464.473 4.778 10 10 JJCE CCN(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](C)Cc1ccc(OC)cc1 731404307 ABSIJCXAOJZWRN-SFHVURJKSA-N 461.553 4.928 10 10 JJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 1083974967 LWGNNFVQLQGOAW-BKUYFWCQSA-N 477.314 4.695 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Sc4ccccc4C)cc3)cc2)CC1 1632946036 URKRSMUACSTSEA-UHFFFAOYSA-N 459.615 4.745 10 10 JJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427420 MFJGNABYIPYVCI-UHFFFAOYSA-N 498.627 4.697 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCc4cccs4)c4ccccc34)[C@H]21 1873881923 MJXGCSNVOPTKHE-MHZLTWQESA-N 484.625 4.599 10 10 JJCE COc1ccc(/C=C2/C(=N)N3N=C(C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)SC3=NC2=O)cc1OC 2059072242 WWZGAHZWWHNMAZ-XFWHAORKSA-N 450.564 4.539 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)cc1C 2080053829 LDMJIXHZNFFAIY-OAHLLOKOSA-N 480.268 4.711 10 10 JJCE CN1C(=O)C(=Cc2cc(Br)ccc2OCCOc2ccccc2)SC1=S 2293215415 RPCADZIGIZBPER-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2293406576 VKBZVMJWICQYPW-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 2294082202 PWDUBRZDCNDFJV-UHFFFAOYSA-N 482.964 4.686 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC(C)C 2294095118 KAIWXRLIOIEHLE-UHFFFAOYSA-N 487.350 4.528 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc2c(c1)OCO2 2296755610 RDVOGAOACUZEEK-UHFFFAOYSA-N 460.964 4.689 10 10 JJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296933352 HOJZPRLMOMWOHW-UHFFFAOYSA-N 491.975 4.873 10 10 JJCE Cc1c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccccc1 2313558037 RGBDTGSQHCSAFU-UHFFFAOYSA-N 453.473 4.804 10 10 JJCE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314837478 SQVWTBKSTAEUGG-KRWDZBQOSA-N 498.626 4.830 10 10 JJCE Cc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3Cl)nnn2-c2ccc(N)cc2)cc1 11730804 BLAKVCJCISJOIW-UHFFFAOYSA-N 459.358 4.965 10 10 JJCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 16907851 CQDBBIXSGGRMCD-MHWRWJLKSA-N 464.362 4.708 10 10 JJCE CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)c1ccccc1F 37403568 GPXSPMHQPXANLG-GOSISDBHSA-N 464.603 4.841 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 59302058 DUQVPODSFDFNRE-PDGQHHTCSA-N 486.778 4.725 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)cc1 210438505 XIZAPYXKRHAROR-HKWRFOASSA-N 456.589 4.792 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(Cl)c2Cl)N3)CC1 226844536 JOPBITQMUYGSLO-DGGJZMOXSA-N 478.445 4.756 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526261790 QUECCDUCRNICBJ-RUZDIDTESA-N 475.497 4.765 10 10 JJCE CCCCN(C)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586713116 UOWLJJFIQFPBQX-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586713235 VJWQUMHFQRCNDK-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 1084561286 WFRXBNPIKJECBT-QPEQYQDCSA-N 484.133 4.821 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCc1ccccc1 1860345017 NRKGXQUJILKJFR-UHFFFAOYSA-N 476.580 4.713 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCOCC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867999847 NHCMIDGZAQJGQS-UHFFFAOYSA-N 487.648 4.613 10 10 JJCE CCOc1ccc(C)cc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873930158 KEQUGLOTJITAMB-UHFFFAOYSA-N 478.552 4.920 10 10 JJCE Cc1ccc([C@H](n2nc(C(C)(C)C)c(CO)c2I)C(C)(C)C)c(O)c1 2079034770 RVJTZYSWUAMJBS-KRWDZBQOSA-N 456.368 4.927 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079993699 VYFUZKUWCIFEOR-KRWDZBQOSA-N 484.334 4.501 10 10 JJCE CC[C@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OCc2ccccc2)C1 2088174730 KZVLMNVLBIPAHN-QFIPXVFZSA-N 465.363 4.965 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 2314835589 MGXKTFPXYCNLBC-UHFFFAOYSA-N 483.398 4.898 10 10 JJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2304303 UQDOFJOVCJNODR-QZQOTICOSA-N 483.590 4.573 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 13639308 LHXUYGXJGVTVRO-QUZFRVLNSA-N 489.435 4.733 10 10 JJCE CSc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14552235 WPKZKIAVIHRAQO-COFNMNJVSA-N 456.633 4.692 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(I)cc3)N=C2C)cc(Cl)c1O 16688251 CHRKTNVPEOGITB-NVNXTCNLSA-N 482.705 4.855 10 10 JJCE COCCNc1nnc(SCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)s1 23635512 HRUWKTUEDNOCCT-UHFFFAOYSA-N 481.441 4.741 10 10 JJCE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)C[C@@H](C)CC(C)(C)C)c(OS(=O)(=O)CC)c1 34921503 WHCYCJFEODMNEP-OAQYLSRUSA-N 497.746 4.614 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 40888990 CHNZMWSTHIHZCW-STZFKDTASA-N 450.585 4.844 10 10 JJCE CCc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2OC)cc1 103704126 XNQHKMTZKMYWJT-SUYASHRRSA-N 463.559 4.882 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 211953723 DUMKZLJKWOBHTB-RQZCQDPDSA-N 482.505 4.563 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 213163877 NJIXTJAPPPCZBS-HKWRFOASSA-N 495.626 4.731 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC(C)=O)c(OC)c1)N2 226743342 CYLGDZYOSVDCTC-UMTXDNHDSA-N 477.605 4.519 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526620350 YLIXQLFWLQORFS-JOCHJYFZSA-N 473.403 4.590 10 10 JJCE CN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)C(=O)N(c2ccccc2)C1=O 1084034979 BSIUMNJHCMWAFF-AQTBWJFISA-N 498.276 4.560 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CC[C@@H](C(C)(C)C)C2 1866047317 CFKNRNVEHCVWNK-QZTJIDSGSA-N 468.619 4.673 10 10 JJCE CC[C@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1869282555 HXWQPAPVGXGZEV-QFIPXVFZSA-N 461.585 4.997 10 10 JJCE CCCCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1 1869970826 RCFCRSPGEQCBLM-UHFFFAOYSA-N 462.598 4.511 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCc4ccccc4)cn3CCC(C)C)CC2)cc1 1870693335 UBEUCBUBNTZKBP-UHFFFAOYSA-N 489.660 4.847 10 10 JJCE C[C@@H](O)Cn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871196705 CJIROSMJJMAOTG-OAQYLSRUSA-N 498.583 4.602 10 10 JJCE CCCCC[C@@H](CC)N1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164660 LONVVRSICNFTKL-HSZRJFAPSA-N 464.654 4.684 10 10 JJCE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873423257 AOHGZUBWLAFWKA-UHFFFAOYSA-N 485.584 4.800 10 10 JJCE Cc1c(C)c2ccc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2oc1=O 1874179732 MUFRBSLJLMYPRA-UHFFFAOYSA-N 467.477 4.511 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2C)cc1 1874187952 KMJDUNYAUSOMPJ-UHFFFAOYSA-N 466.588 4.912 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079035417 DKDMOLAMNDHULI-CYBMUJFWSA-N 482.240 4.553 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079873168 LHFISIPKLONPDB-INIZCTEOSA-N 459.287 4.864 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2196843174 PQEJFAKPSUBYSP-FQRUVTKNSA-N 476.662 4.510 10 10 JJCE N=C1C(=Cc2cccn2Cc2cccc3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 2293152620 SYQRSPOACIIJRI-UHFFFAOYSA-N 453.449 4.871 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 2297458158 BWUGSGADDSXTPC-UHFFFAOYSA-N 498.358 4.762 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)c1 2297462823 NMRSAALOOLJJDX-UHFFFAOYSA-N 464.525 4.926 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 2297500033 GMHAEMJNAKAGIL-IBGZPJMESA-N 462.509 4.762 10 10 JJCE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)s1 2314578682 YIVTZGIIXQGVBE-UHFFFAOYSA-N 464.663 4.579 10 10 JJCE C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1O 20069340 FWLYOJOWJGWTGG-PQNGQFLHSA-N 479.330 4.596 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)c1O 20694025 HDFKNRIDOXPGAV-KHCICDEESA-N 454.592 4.792 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 33740287 HEBHOVHLLDPROK-WQRHYEAKSA-N 457.269 4.501 10 10 JJCE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 34988708 OLBYSRONPXIEDQ-UHFFFAOYSA-N 454.280 4.639 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 39874950 NJPQPDGPKNKNQW-YVLHZVERSA-N 457.577 4.974 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3nc(-c4ccccc4)cs3)C2=O)cc1 40324676 WGGOIOIVEPMJHY-MOSHPQCFSA-N 495.651 4.726 10 10 JJCE O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O)Nc1ccc(F)cc1 54201723 CODOCYKNDZACRT-GGAORHGYSA-N 488.544 4.709 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 210719779 NLCGYUJDFMEPGG-XMHGGMMESA-N 472.563 4.623 10 10 JJCE C[C@H](NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O 389304157 KLMODLGROHMSJA-INIZCTEOSA-N 459.587 4.614 10 10 JJCE CCOc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1O 1858593869 BDJMCDXYKYBWDH-QTKYHAHDSA-N 454.617 4.829 10 10 JJCE Cc1cc(O[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1860273848 JCXMASFAMIDJFF-IBGZPJMESA-N 487.552 4.538 10 10 JJCE CC(C)(C)c1ccc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c2c1 1866435880 BAEAGIUEESJDTB-UHFFFAOYSA-N 450.494 4.853 10 10 JJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@H](c3ccco3)C2)n1 1868254173 GODFPQISBQWEMF-SFHVURJKSA-N 494.551 4.771 10 10 JJCE CCCC[C@@H](NC(=O)/C=C(\CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868666521 OUGRNJNYIYLPAN-MTEPZQBTSA-N 493.648 4.521 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)C)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 1869969368 MDITUJYOQBQYGX-UHFFFAOYSA-N 489.407 4.504 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1ccccc1F 1871247572 QQTDYDLUOTUIGT-UHFFFAOYSA-N 459.521 4.914 10 10 JJCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873164547 HAMIYVIHCCBBPV-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873168367 SKAFUZIVHNBYIU-GOSISDBHSA-N 457.574 4.771 10 10 JJCE C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016962 JCNJKMOCHFUORW-INIZCTEOSA-N 493.515 4.853 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053513292 LQJRWSJCMXLKCM-UHFFFAOYSA-N 452.897 4.574 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 2293682614 NIUKNKRNMJZCOU-UHFFFAOYSA-N 458.503 4.627 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1 2294253421 PAGLNMVFJDQKIF-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1 2296928057 OSVIVGFCTRWVII-UHFFFAOYSA-N 487.943 4.578 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 2314563116 BSLFCQSRBBFBLH-UHFFFAOYSA-N 499.639 4.934 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 2314932709 OQDRLXXYELVMOC-WMLDXEAASA-N 457.573 4.900 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(N4CCN(C(=O)c5ccco5)CC4)c1c23 9642233 UFTSZYLIDQZLBB-UHFFFAOYSA-N 496.567 4.975 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 20704224 NKTBKHHHPLFBEN-YVHKJVDXSA-N 459.955 4.859 10 10 JJCE COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 49593239 URJBPYYGKPJLOS-KQVBYIFQSA-N 456.955 4.932 10 10 JJCE COc1cccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)c1OC 59860690 PCSPSJNCRBGKTL-GXDHUFHOSA-N 459.296 4.590 10 10 JJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)c(F)c1F 687756162 XGBMBIRNYVPQNB-GOSISDBHSA-N 457.404 4.864 10 10 JJCE CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c2ccccc21 1670621335 RCIOERCQNNGSBV-HTAPYJJXSA-N 455.002 4.873 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)CC4CCCCC4)CC3)ccc21 1860599706 CMAIYJUNMIHWAZ-UHFFFAOYSA-N 458.558 4.610 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678554 RXRLSTFFZBLLET-HYARGMPZSA-N 458.514 4.864 10 10 JJCE COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)CC1=O 1865924605 ZPTBZGGOEVZKNM-OAHLLOKOSA-N 451.910 4.715 10 10 JJCE Cc1cc(Br)cc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866461166 OPIUYCMSPKQZRZ-UHFFFAOYSA-N 487.309 4.627 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C)n1 1868387236 WFTJYWHINQQHNF-INIZCTEOSA-N 478.556 4.795 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079979190 MFBAAUIXOCAITO-IBGZPJMESA-N 480.346 4.864 10 10 JJCE CN1CCc2cc([C@@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106854259 ATPPNUKOMNSEQJ-SQHAQQRYSA-N 451.611 4.523 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1C 2296053636 QRCBXLUQCZUBJB-UHFFFAOYSA-N 483.553 4.645 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)ccc1O 2314831025 ASGDDQGXPUCEMI-UHFFFAOYSA-N 456.589 4.719 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837295 QQRCCSXBAKLTIM-LLVKDONJSA-N 481.477 4.842 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1OC 2323679829 DRIDGGFPUJLCAR-QGZVFWFLSA-N 487.599 4.910 10 10 JJCE O=C(O)c1cccc(N2C(=O)/C(=C3\C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)c1 1809246 MPCCPOXXPVCGFT-QZQOTICOSA-N 472.547 4.708 10 10 JJCE COc1ccc(/C=C2/N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1OC 2437166 NYKGTTULJIWEFJ-MHWRWJLKSA-N 470.348 4.757 10 10 JJCE CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672278 ZMVMGASZINSGTG-FMQUCBEESA-N 473.019 4.885 10 10 JJCE COc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc(Br)c1O 15016195 QQQRZBIDFUXRCM-DHDCSXOGSA-N 453.745 4.923 10 10 JJCE CCN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N(CC)C1=S 27533475 NPRLPLCPGVVMAJ-UHFFFAOYSA-N 469.969 4.861 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(O)=NC2=S)cc1Cl 59109214 MTRRBVALOZCZFM-LTUPMRBCSA-N 457.983 4.917 10 10 JJCE COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 205959258 QHFZXEGSRZWJRP-JJIBRWJFSA-N 471.513 4.627 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208272950 SSSLJCQUWRTBGA-FYJGNVAPSA-N 480.659 4.877 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1 210498832 IAGBXULMIZJKBF-SFQUDFHCSA-N 464.515 4.614 10 10 JJCE CC(=O)N(C)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1 1147742130 YDGNFOVOESZZEF-UHFFFAOYSA-N 454.368 4.769 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1OC 1858587277 SCRVVCTVYUGAMC-RCCKNPSSSA-N 459.589 4.773 10 10 JJCE CCCCC(=O)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858891057 FTVBWCRRHRBXRN-UHFFFAOYSA-N 456.498 4.879 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864006978 BZFRAVZMEZSGMT-NTKDMRAZSA-N 490.604 4.762 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864009797 DZQASGRAXYMIAR-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE CCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168877 NTSFKCARPLNLKU-UHFFFAOYSA-N 467.573 4.640 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420256 WSLHCROPZXAXGQ-VWLOTQADSA-N 484.600 4.531 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNCc1cc(Cl)cc(Br)c1O 2159033918 KDJSZNGQCXKLOR-QGZVFWFLSA-N 469.754 4.933 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCCOc3ccc(Cl)cc3)C2=O)cc1 2296110573 TUAMYICFXSYSOX-UHFFFAOYSA-N 477.948 4.839 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 2297302807 KSHMYUQHXFWLEG-UHFFFAOYSA-N 466.896 4.918 10 10 JJCE Cc1ccccc1C1=NN2C(=N)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1 2297310240 WSYCYEOTIYTKPW-UHFFFAOYSA-N 456.483 4.621 10 10 JJCE CSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N12 2297333808 UGEPYUSIUPNZLH-UHFFFAOYSA-N 462.965 4.560 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2297554689 RYVXARJHKGPRLC-MRXNPFEDSA-N 477.991 4.992 10 10 JJCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 2313547888 FRDGEKOVRMHYQO-UHFFFAOYSA-N 487.350 4.611 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2313562400 QPLDEEYUWHNPLU-UHFFFAOYSA-N 486.778 4.725 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 2314836315 CTXSQRKKRMBYTF-GFCCVEGCSA-N 466.506 4.942 10 10 JJCE CCCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 27515568 XCOOEORHBVWEGY-OQKWZONESA-N 466.563 4.566 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32035757 NUFKXCZSNJTBJV-XHPQRKPJSA-N 472.539 4.978 10 10 JJCE O=C1/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1C[C@@H]1CCCO1 35189938 SWEMPJNLHYGITJ-CVTQAYBASA-N 471.003 4.637 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 108877805 HYZFLBZVNOPHHI-UHFFFAOYSA-N 467.522 4.652 10 10 JJCE CCc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347346 KOJAPUCXBFDDHO-NDEPHWFRSA-N 464.569 4.989 10 10 JJCE CCc1nc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)sc1C 1860347396 NWTCNYRCVHPRPC-VWLOTQADSA-N 485.613 4.754 10 10 JJCE CCCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421962 YUEMSKQEFAREJR-UHFFFAOYSA-N 453.546 4.963 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(CN)c2I)C(C)(C)C)cc1C 2079843098 CPGIVMBQPCMORA-HNNXBMFYSA-N 463.310 4.842 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C 2294095127 KLJDFOVPZPGMOU-UHFFFAOYSA-N 493.741 4.565 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 2296711347 PERMIENVUHUEGE-UHFFFAOYSA-N 459.390 4.587 10 10 JJCE COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC 2297352339 VXEWBKBMAROXEI-UHFFFAOYSA-N 471.513 4.527 10 10 JJCE CCOC(=O)c1c(NC(=O)CCN2C(=O)C(=Cc3ccco3)SC2=S)sc2c1CCCC2 2297477482 XWXVXDKQVXGPIY-UHFFFAOYSA-N 490.628 4.627 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 2313541191 ZYQLJDTXDMYMOE-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2314509813 ZBYNROXQHBBGCJ-UHFFFAOYSA-N 481.599 4.805 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O 14457219 GILVLWOXYMGTDR-WOVHNISZSA-N 462.571 4.706 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 14550695 ZMVKHYMOXRERFL-UMFSSWHCSA-N 475.570 4.942 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C(C)C)cs4)sc3C)CC2)cc1 33290150 QPQCBCNPKONPQO-UHFFFAOYSA-N 477.677 4.823 10 10 JJCE CN1CCN(c2ccc(/C=C3/N=C(SCc4ccc(Cl)c(Cl)c4)NC3=O)cc2)CC1 33372096 HGWSBFOWHQVQBG-DEDYPNTBSA-N 461.418 4.505 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 33470604 ASWNOMBCFBZTHC-OBGWFSINSA-N 456.637 4.831 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NC3CCC(C)CC3)nc12 33529862 RPOCDIRGZDNIAI-DEDYPNTBSA-N 494.642 4.988 10 10 JJCE C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 39858257 WFMDJGUIRVKERJ-ZDUSSCGKSA-N 450.288 4.631 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)o4)s3)CC2)cc1 65004833 RIGOCPILMJNKFA-UHFFFAOYSA-N 473.620 4.580 10 10 JJCE O=C(N[C@H](C(=O)O)c1c(O)cccc1Br)OCC1c2ccccc2-c2ccccc21 642884464 JDMWADILSNQXAV-NRFANRHFSA-N 468.303 4.819 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(Cl)ccn1 1860345039 PMBSYKWYYALEIT-UHFFFAOYSA-N 469.932 4.652 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862374535 REGWWWSZGJKMPU-UHFFFAOYSA-N 488.538 4.848 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O 1873164758 QTWOENSCPJEVQR-UHFFFAOYSA-N 480.612 4.908 10 10 JJCE Cc1ccccc1OCCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2296065493 MRHINUNVSZCVMM-UHFFFAOYSA-N 497.580 4.905 10 10 JJCE CCOC(=O)c1sc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)c(C(=O)OCC)c1C 2297456434 GHIGOZGVGGGOSW-UHFFFAOYSA-N 475.954 4.782 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c(Br)c1 2313558539 DDNYIYLFGBNWJG-UHFFFAOYSA-N 485.334 4.988 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314509135 SHLUVLNSFVPPEL-UHFFFAOYSA-N 469.563 4.936 10 10 JJCE COC(=O)c1ccc(Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326945446 WUHJQEYRTXFUBF-UHFFFAOYSA-N 494.594 4.542 10 10 JJCE CCCC1=NN(c2ccccn2)C(=O)C1=Cc1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 2332139284 OSUNCBYFJXYETI-UHFFFAOYSA-N 478.593 4.704 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141006 CASAVNMQUXFOJE-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(Br)cc2O)[C@H]1C(F)(F)F 2370312505 NAYDIQGFOAKKKT-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE CCOc1cccc(CN2CCC([C@H](Cc3ccc(F)cc3)N(C)Cc3cn(C)nc3C)CC2)c1O 12219267 NAPJMWAVMWHYNU-MHZLTWQESA-N 494.655 4.927 10 10 JJCE COc1cc(NC(=O)c2cccc3c(Br)cccc23)c(N2CCOCC2)cc1OC 20496292 WUULXBFYCYJPKI-UHFFFAOYSA-N 471.351 4.708 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 33723218 OEHJGWMSYCMERM-XMHGGMMESA-N 468.648 4.829 10 10 JJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990092 JZANSNFLWODUTH-JHDSZEHQSA-N 484.691 4.819 10 10 JJCE COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 205970356 IJRBJLJZACDXQK-XQNSMLJCSA-N 486.484 4.527 10 10 JJCE Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 210659861 BEQTVCUXUVSOHF-RCCKNPSSSA-N 498.626 4.859 10 10 JJCE O=[N+]([O-])c1ccc(N=Nc2sc(N3CCOCC3)nc2-c2ccc(OC[C@@H]3CO3)cc2)cc1 254616295 NGIPFJWRIGNBDR-LJQANCHMSA-N 467.507 4.748 10 10 JJCE CC(=O)N1CC[C@@H](NCc2cc(Br)cc(Br)c2O)c2ccccc21 1461353092 CRNUUSYSOLQYKS-MRXNPFEDSA-N 454.162 4.505 10 10 JJCE COCCN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1614472781 IXIDQRIDUYJOEL-OZXSUGGESA-N 476.617 4.879 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCC(C)CC2)cc1 1705479807 LVLDGQINTOHWNA-IBGZPJMESA-N 495.469 4.789 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1 1860076549 IQIFZSSJAHXYBQ-KGENOOAVSA-N 454.617 4.956 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(O)cc4)c4ccccc34)[C@H]21 1860345034 OTFWARMYPYXJOI-MHZLTWQESA-N 466.541 4.523 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868710586 GHWQCGWWZPVMRJ-VPUSJEBWSA-N 497.655 4.906 10 10 JJCE CCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870943426 OSCPTRBHJTVYKN-UHFFFAOYSA-N 462.594 4.908 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421177 KPEVKVJXAQFXSW-UHFFFAOYSA-N 462.981 4.501 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(F)c(C)c4)cc3)CC2)cc1 1874749169 GZMZEOQZPHQELG-UHFFFAOYSA-N 489.591 4.719 10 10 JJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 2294118683 OOWSJPSYSSDHEV-LBPRGKRZSA-N 477.742 4.946 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296713433 BKHNPDFWAWVSDE-AWEZNQCLSA-N 495.464 4.736 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296731203 DMOVWSSLEZYKAN-UHFFFAOYSA-N 488.679 4.621 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Cl)c1OC 2297335134 MSVIJNUANTYOAL-UHFFFAOYSA-N 489.233 4.696 10 10 JJCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 2297458336 RYXKZJIRTNQUKS-UHFFFAOYSA-N 484.386 4.780 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1nc2ccc(Cl)cc2s1 2314563111 ARUHFQITWPHWCU-UHFFFAOYSA-N 463.968 4.929 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC)C(=O)O 2314931715 HVDFWKBEKLWFHT-OAHLLOKOSA-N 463.964 4.996 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2c(O)cccc2Br)[nH]1 2362649043 JNTPISOEFNCMOH-INIZCTEOSA-N 456.406 4.867 10 10 JJCE CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(O)=NC2=S)c1 1203779 PXBRUFKBALWIFS-CPNJWEJPSA-N 463.471 4.925 10 10 JJCE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 20356424 XBVVMUQIMAIVRP-KPQRNUFCSA-N 489.601 4.515 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33781134 LQKOSACZHBBPGJ-CPNJWEJPSA-N 468.648 4.891 10 10 JJCE CCC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)[nH]c2ccccc12 34236867 DHRJCOZCWPPSIT-RCCKNPSSSA-N 472.545 4.867 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)c(OS(=O)(=O)CC)c1 37420560 INGLWKCAKBDBBV-UHFFFAOYSA-N 493.645 4.911 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCCCC2)SC1=S 39989953 MVFGOZPFGLXDTB-HKWRFOASSA-N 472.680 4.820 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c1C 59109482 MRXUYCDCQXDZGC-BKUYFWCQSA-N 458.474 4.813 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 103750330 GPRPILFUHBVNID-SWGFWHAOSA-N 459.936 4.796 10 10 JJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC(=S)N1C[C@H]1CCCO1 210032937 KRRRZIITMRIQHS-VVJWVBNBSA-N 491.594 4.648 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526371047 ADEZAOFREBDZHP-AREMUKBSSA-N 488.540 4.772 10 10 JJCE O=C1C[C@H](Nc2cc(F)cc(N3CCOCC3)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 748324087 HVKXILNNOHPZCB-DEOSSOPVSA-N 473.508 4.822 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1[N+](=O)[O-] 1860084104 DMYDFGGTCUEHKA-OVCLIPMQSA-N 451.323 4.772 10 10 JJCE CCc1sc(NC(=O)[C@@H](N)CC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1865917934 MPRSRPRWKUMZDJ-AWEZNQCLSA-N 453.402 4.839 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1873170030 LWELYGYIPBVHHY-UHFFFAOYSA-N 471.601 4.699 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080051618 BAIVSNFUNYALNE-KRWDZBQOSA-N 498.361 4.676 10 10 JJCE CC(C)(C)OC(=O)N[C@@]1([C@H](O)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163096015 VYYPTUYFXVDZKP-NAKRPHOHSA-N 465.638 4.880 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 2296808066 OZSXWRIUYLSTBP-UHFFFAOYSA-N 450.524 4.730 10 10 JJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1C 2313548099 LOZWWLISGQZHCL-UHFFFAOYSA-N 457.324 4.520 10 10 JJCE Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)C(=Cc4ccccc4)SC3=S)s2)cc1 2314578392 NQFDBOGKVUTTOS-UHFFFAOYSA-N 498.680 4.979 10 10 JJCE CCOc1ccc(C=CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 2331530125 BMIFEQACPKTBDX-XMMPIXPASA-N 451.611 4.517 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc1)CC[C@@H](C)C2 9151455 URQWFZPQZAIKAR-JOCHJYFZSA-N 488.651 4.992 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33467417 JIIGWEOJGOJZGG-SILNSSARSA-N 478.643 4.659 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 34877944 FSUVJBKMTTVPJG-FMQUCBEESA-N 454.573 4.627 10 10 JJCE COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC 37243312 AMNWFVMQWGBSIP-PFBJBMPXSA-N 479.532 4.726 10 10 JJCE biogenic COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(CCCCC(=O)O)C3=O)cc2)cc1 210607995 AIOCXQBTMCAMGX-FNEDYENRSA-N 497.594 4.770 10 10 JJCE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1c(F)cccc1F 1082764186 GHKKLTBTFYYRPP-LPYMAVHISA-N 492.507 4.601 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)C1 1595967807 HAQBIYOIAKNNSP-QHCPKHFHSA-N 494.709 4.799 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)N(CCc1c[nH]c2ccccc12)c1ccc(N)cc1 1857991904 JRBXGHBRYOXOCO-UHFFFAOYSA-N 455.967 4.850 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425855 NXJIWYYRZZAZBG-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE CCCCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650378 PGWMWKYQDSOAJN-UHFFFAOYSA-N 484.604 4.819 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3(Oc4ccc5c(c4)OCO5)CCCCC3)cccc21 1874179144 PQAASZMDSBKTCH-UHFFFAOYSA-N 469.493 4.911 10 10 JJCE CCN1CCc2cc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]3C(=O)O)ccc21 1952921349 WOEOSEQUMUHQJC-SVEHJYQDSA-N 468.553 4.908 10 10 JJCE O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc2c(c1)OCO2 2053510916 WRWJBYGDHPMUEQ-UHFFFAOYSA-N 452.469 4.989 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)c1 2294216945 SHSVTGNPGKCPIA-UHFFFAOYSA-N 473.392 4.684 10 10 JJCE Cc1ccc(-n2cccc2C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)c1 2297346646 CRCANMJVKFJUQS-UHFFFAOYSA-N 455.543 4.792 10 10 JJCE CCN(CC)c1ccc(C=C2C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)cc1 2297365915 IFBCOXKVLMRAHU-UHFFFAOYSA-N 479.631 4.922 10 10 JJCE COC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2297458016 CMVOBYALBXTOFG-CYBMUJFWSA-N 492.416 4.791 10 10 JJCE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccccc1Cl 2314487319 PSZKIYWDIHYHKW-UHFFFAOYSA-N 483.796 4.609 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O 2314836565 GTTYXBORWFERTG-OAHLLOKOSA-N 452.557 4.560 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O 14459789 FHHKKTQPKSCQDQ-ZYLNGJIFSA-N 462.571 4.706 10 10 JJCE Cc1ccc(C)c(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1 20210614 LCDJXKKIPPVPQL-CXJFQJJYSA-N 455.543 4.792 10 10 JJCE O=C(CSc1nccn1-c1cccc(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 22158217 AUABYBQJBMYYTE-UHFFFAOYSA-N 457.486 4.518 10 10 JJCE O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccccc1 33293920 OTDUIQIFHBAXNW-ODLFYWEKSA-N 482.901 4.973 10 10 JJCE COc1cccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)c1O 34683895 MOOLZFVKHSNXDO-UHFFFAOYSA-N 466.603 4.569 10 10 JJCE O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCCC1 59417306 MAFIFNZXNFKZMS-FSSWDIPSSA-N 477.944 4.553 10 10 JJCE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 728745779 LJTAEWDLGRHAAX-PWRODBHTSA-N 480.628 4.565 10 10 JJCE CCOc1ccc(S(=O)(=O)Nc2c(NC)cc(C(=O)O)c(Nc3ccccc3)c2F)cc1 1857998073 UIHQRUTYNUDVKU-UHFFFAOYSA-N 459.499 4.509 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846403 SOKNLCPXXXZFOD-KAYWLYCHSA-N 479.665 4.767 10 10 JJCE CCCCCCOc1cn(CCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672379 RKYGNCXMEAVHBM-UHFFFAOYSA-N 455.643 4.938 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccccc5OC(C)C)[nH]c4c3)CC2)cc1 1873506826 RLTRNYBBDITJNQ-UHFFFAOYSA-N 470.573 4.988 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC 2297233430 JHFHPVORXGTGQS-UHFFFAOYSA-N 486.615 4.810 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCOCCOc1cccc(C)c1 2297306663 XGTUCIHZOJBBBI-UHFFFAOYSA-N 473.616 4.699 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccc(C)c(Cl)c4)nc(N4CCCC4)n3)CC2)cc1 9490054 XQJTXULAAVMAKW-UHFFFAOYSA-N 480.016 4.512 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](CC)(c4ccccc4)C3=O)c2C)cc1 14266545 YMTTZGFRHHIEJY-MHZLTWQESA-N 459.546 4.533 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 20235899 UAYDQOVUOHYWKV-JOPZDBJVSA-N 481.936 4.955 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)sc2c1CCCC2 20627723 FWVJUKKOUXWYOV-GFCCVEGCSA-N 464.946 4.588 10 10 JJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990343 ZUOZWGKXUVTFLA-IEOAWGNMSA-N 472.680 4.819 10 10 JJCE O=C(O)CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S 40937824 HBRYDJNDDJNLNZ-BOPFTXTBSA-N 478.389 4.704 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4c(F)cc(F)cc4F)c(C)s3)cc2C[C@@H]1C 729110409 FXQPWWZDPYDUJX-JTQLQIEISA-N 481.521 4.634 10 10 JJCE Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)ccc1Br 1084182473 ZUGYYBXRUZWCCE-MOSHPQCFSA-N 484.394 4.960 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1456079237 XRJPAJNPMKXOTD-SEYXRHQNSA-N 455.299 4.832 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)sc(C)c1-c1ccc(C)cc1 1860629550 SQDQOTFFIUVYGJ-UHFFFAOYSA-N 477.586 4.704 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cccc21 1861853206 UGLGRJJQJNUTNU-UHFFFAOYSA-N 458.945 4.966 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCOc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164488 DSZJNGWJKDLGSX-LJQANCHMSA-N 457.574 4.641 10 10 JJCE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873423388 CNIFSXISLBNJLM-UHFFFAOYSA-N 488.544 4.859 10 10 JJCE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1cccc(O)c1O 1951961301 GUYLJDOTCLJOJP-QFIPXVFZSA-N 461.514 4.757 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079007558 VHBVPDHEGZVSEZ-GOSISDBHSA-N 466.319 4.555 10 10 JJCE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](N)c1ccc(N2CCCCC2)cc1 2106866684 XGRJUEWNJLQKCY-VWLOTQADSA-N 452.643 4.704 10 10 JJCE CN1CCCc2cc([C@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163109266 XMCXMZMWLJXVOH-VWLOTQADSA-N 465.638 4.662 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2296398096 SIMCELPAASCCCY-UHFFFAOYSA-N 483.499 4.916 10 10 JJCE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2296545926 BEZPBQKTHYUBSF-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE CCCCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)s1 2296882408 TWDDLGYTGWHOJS-UHFFFAOYSA-N 460.650 4.809 10 10 JJCE Cc1ccccc1COc1ccc(Br)cc1C=C1C(=O)NN(c2ccccc2)C1=O 2297463157 METCZUXBFMJMPY-UHFFFAOYSA-N 463.331 4.798 10 10 JJCE Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=N)N2N=C(c3cccs3)SC2=NC1=O 2297499938 XOTYHMVGWQLTCY-UHFFFAOYSA-N 452.952 4.563 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1c(C)nn(-c2ccccc2)c1C 2297533739 RSLMKFMSSGPRNK-UHFFFAOYSA-N 450.340 4.970 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 2313683116 SBFWVXBNVKNOTC-UHFFFAOYSA-N 463.277 4.553 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NCCc3ccccc3)nc12 2314414224 STGBZYQQFHEBRM-UHFFFAOYSA-N 490.654 4.801 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4cccnc4)S3)[C@H](c3ccccc3O)C2)cc1 54201398 OVIAJHSUJLQYEU-DHJMFLCTSA-N 456.527 4.617 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 210695886 USOIEXNCXJTAED-LICLKQGHSA-N 482.505 4.650 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc4ccccc24)N3)CC1 226705255 OEMAUOSXKADPAZ-LSCGWGKXSA-N 459.615 4.602 10 10 JJCE N=[S@](=O)(O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)o2)cc1 1084534765 GIQQSJSPKNJPRU-XSFVSMFZSA-N 487.493 4.645 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)c(C)s1 1859574587 WCPYVGMGXLYROH-ZDUSSCGKSA-N 457.577 4.600 10 10 JJCE O=C(O)c1cccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)SC2=S)c1 1860824989 HECZVYAGCXCJSK-MKMNVTDBSA-N 484.780 4.908 10 10 JJCE CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862211414 GRVFEEONWITNRL-CUNXSJBXSA-N 495.664 4.610 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868938993 JSSWTOHIUJWWBN-MUAVYFROSA-N 497.655 4.988 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccc([N+](=O)[O-])cc54)nc(C(C)C)n3)CC2)cc1 1869088933 QQFKKRGPBZIWJQ-UHFFFAOYSA-N 474.565 4.538 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970815 QRGKFWHVBNMIRP-UHFFFAOYSA-N 483.016 4.631 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3)cccc21 1874017353 PLSVSIJWFSVALW-CYBMUJFWSA-N 479.319 4.760 10 10 JJCE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 2296560032 WBWCGUYIZBLOIX-UHFFFAOYSA-N 485.540 4.554 10 10 JJCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 2297467821 OCCPHNJDUKZSOB-UHFFFAOYSA-N 461.469 4.674 10 10 JJCE COc1ccc(C=C2SC(=S)N(CNc3ccccc3Br)C2=O)cc1OC 2313501990 SBVPIXHYOQHHAP-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2314414331 WGXKZPTWBYAVTL-UHFFFAOYSA-N 464.616 4.698 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)OCC)C2=O)cc1OC 2314755010 NCHNGLJGLZDXHR-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147689 RHHNPRQUMZWITJ-UHFFFAOYSA-N 472.541 4.865 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc(OC)c1OC 1425099 WLOXQRPHBRSFIP-NVMNQCDNSA-N 464.996 4.945 10 10 JJCE CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15038154 QPWPKADHXUGYID-PDGQHHTCSA-N 462.980 4.674 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33474122 RJLLWLSIXUIOCV-MNDPQUGUSA-N 470.664 4.775 10 10 JJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 36557536 FHOPMMGBFLXLCQ-ZYLNGJIFSA-N 477.542 4.952 10 10 JJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989883 ZBSKNENBPDQDRU-JCMHNJIXSA-N 492.670 4.830 10 10 JJCE CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccccc2OC)SC1=S 101429007 TXVGHCCKEWKODY-HMMYKYKNSA-N 459.589 4.773 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nccs1 211946832 JATUPSHMATVVNB-SFQUDFHCSA-N 459.618 4.695 10 10 JJCE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccccc2O)cc1Cl 248164272 QOIMQELUCUOROX-GIRPNKPCSA-N 496.991 4.598 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)c1 526464972 YSMJEMZDCCFHIW-OAQYLSRUSA-N 451.500 4.783 10 10 JJCE CCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871523938 KJWQZCCPGGQKBP-UHFFFAOYSA-N 482.032 4.628 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCCOC(C)C)C2=O)cc1 1873166886 JUSUWKIWBZQCKQ-UHFFFAOYSA-N 489.591 4.918 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 2297301744 GAKFKIMLKHQMJT-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 2297347589 KXNDGIFDCSKEMH-UHFFFAOYSA-N 461.518 4.692 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1 2313502039 KKPGVSRFKLCOAI-UHFFFAOYSA-N 486.615 4.932 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314832094 ZKXTZGGPPFOZSI-UHFFFAOYSA-N 493.610 4.965 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)O 2314935871 SIJPNQDBFYUHAD-OAHLLOKOSA-N 457.573 4.960 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1OC 2321689125 JZMJQOXRMQZGAU-UHFFFAOYSA-N 451.982 4.781 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 14471862 BQKVEJUXVDZPDL-FBLLAGFSSA-N 461.543 4.900 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33474123 RJLLWLSIXUIOCV-KNTRCKAVSA-N 470.664 4.775 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1 59336702 SSWTYRNXHZVKGV-HMAPJEAMSA-N 456.498 4.557 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@H]([C@@H]2SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S 606672025 KUQNBMNICUXVFU-KNCCTNLNSA-N 472.682 4.967 10 10 JJCE COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 727243854 GNUKQDLTZINUBF-UHFFFAOYSA-N 457.964 4.920 10 10 JJCE O=C1C[C@@H](Nc2cc(F)cc(N3CCOCC3)c2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 748324089 HVKXILNNOHPZCB-XMMPIXPASA-N 473.508 4.822 10 10 JJCE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1705718983 GZXOITRYGWTIOO-UHFFFAOYSA-N 451.659 4.670 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864009583 BIDGEOFGLDRNOO-QHCPKHFHSA-N 490.604 4.545 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 1865676229 XZZIHOKLDMEQGN-CJLVFECKSA-N 456.498 4.573 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)CC2)cc1 1872884307 QBPRTOPCWYBAPR-UHFFFAOYSA-N 455.480 4.687 10 10 JJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873424799 WWFJTCBKLJXERG-UHFFFAOYSA-N 471.557 4.729 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(C)cc4)c3)CC2)cc1 1874730828 YSGWEOSLZHVDFN-UHFFFAOYSA-N 472.585 4.547 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079856559 UZTISAHMNFAIPX-QGZVFWFLSA-N 498.361 4.676 10 10 JJCE CC(C)(C)OC(=O)NC(C)(C)c1csc(=NCc2cc(Br)cc(F)c2O)[nH]1 2282791755 JJEZJDQBDMJFJI-UHFFFAOYSA-N 460.369 4.544 10 10 JJCE O=C(Cn1cc(C=C2C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCOCC1 2293894407 JDGRFDQKBUEWJP-UHFFFAOYSA-N 463.537 4.719 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2295157390 WPQFEMMCHIHOHW-UHFFFAOYSA-N 481.408 4.521 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2296881620 ROBWGRGBYTYGNR-CYBMUJFWSA-N 486.354 4.773 10 10 JJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 2313683567 DZCPNXIFSWZURO-UHFFFAOYSA-N 459.477 4.758 10 10 JJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 2313683674 QKNJUGFCCYPDDM-UHFFFAOYSA-N 459.477 4.758 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 1148152 MZEGQCZARRMPMR-NVVUQHMZSA-N 466.584 4.951 10 10 JJCE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)COc1ccccc1Cl 19855495 HVOVHGDARMKPCL-UHFFFAOYSA-N 462.937 4.736 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 20235834 BNBZUFJRCBPRKP-ZWCAKHMGSA-N 467.909 4.647 10 10 JJCE C/C=C\C(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 33406475 BMQIGURNACNDBF-FPLPWBNLSA-N 489.640 4.772 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3C(=O)O)c1C2=O)c1ccccc1 39899527 HINYDCISPSXVAD-UHFFFAOYSA-N 490.471 4.665 10 10 JJCE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c1C 96640273 SQFROJSRZDDJCM-JMIUGGIZSA-N 477.517 4.911 10 10 JJCE Brc1cccc(-c2nnc(N3CCCOCC3)n2CCCSc2nccs2)c1 1507511505 VWGRXFBNMKWHRA-UHFFFAOYSA-N 480.457 4.573 10 10 JJCE Cc1ccc(CCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860514709 SYAPQUWGJZUFKJ-UHFFFAOYSA-N 489.531 4.989 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 1860590109 QFQKAMFJGXQGCV-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4cc(C(F)(F)F)ccc4c3=O)cccc21 1866080889 SNUKCIHGZHQTEK-UHFFFAOYSA-N 462.383 4.575 10 10 JJCE CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867869158 VZYFOBVUNXMFJV-RRPNLBNLSA-N 492.708 4.902 10 10 JJCE CCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868669815 DIMCJEWEFMHQTG-PCOPNOGXSA-N 489.660 4.739 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc54)nc(C(C)C)n3)CC2)cc1 1869099854 JDKLHAOKQVXRMF-UHFFFAOYSA-N 489.620 4.647 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2053513336 NGRCXIWBISUIHZ-INIZCTEOSA-N 460.533 4.864 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)cc1C 2080001490 JLJXSOVZMXOLJR-QGZVFWFLSA-N 452.336 4.920 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314935837 SDSSNOBEAHOEND-GFCCVEGCSA-N 463.964 4.996 10 10 JJCE COc1ccccc1NC[C@@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 13572796 ZNRSYRVKMKUKES-TXUMJUCDSA-N 480.568 4.929 10 10 JJCE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OCC 13914837 JOOSTKPTFWSXFG-ODLFYWEKSA-N 476.451 4.852 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3cc(Cl)c(OC)cc3OC)C(=O)N=C2S1 32964186 GRXUODWEUHBLAJ-KLOJRHMOSA-N 471.970 4.957 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33468439 YVWXCMKJQJCLMH-PGMHBOJBSA-N 490.654 4.785 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)c2ccccc21 40846643 WWSDFYWLRVJHPX-MRCUWXFGSA-N 479.627 4.838 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2 226727265 PXNVTORGQHRGAU-XFQAVAEZSA-N 463.397 4.670 10 10 JJCE COc1ccc(N2CCN(C(=O)CNc3ccccc3Oc3ccccc3Cl)CC2)cc1 248147155 SVRWXHCEEYGTBZ-UHFFFAOYSA-N 451.954 4.902 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526389182 ZEHQWKJDNVHDQB-NDEPHWFRSA-N 498.627 4.570 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OCC 1860825175 QVWOBDGTELLTSV-DEDYPNTBSA-N 457.573 4.974 10 10 JJCE Cc1ccc(CCC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860848769 ZXHZJPTZYQPTEK-UHFFFAOYSA-N 470.617 4.595 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(C3CC3)C2=O)cc1 1873162161 IPMVBOQUJFGSNQ-UHFFFAOYSA-N 459.977 4.822 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2078995268 UNBITYYHJVCQSC-GOSISDBHSA-N 466.319 4.555 10 10 JJCE Cc1ccc(Cn2nc(C(=O)OC(C)(C)C)c(I)c2C(F)(F)F)c(O)c1 2079183191 MVHUEIADPXXFCD-UHFFFAOYSA-N 482.240 4.524 10 10 JJCE CCOc1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1OC 2296673582 ZMHVVAHULXDVOW-UHFFFAOYSA-N 457.983 4.540 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 2297344675 GWOIQBMECJWPOB-UHFFFAOYSA-N 480.521 4.863 10 10 JJCE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 2314485839 DTMXHKAAJXDTBP-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE COc1cc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc(Br)c1O 2318684001 MBJZOFICLWXDAD-UHFFFAOYSA-N 485.469 4.674 10 10 JJCE Cc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)sc2c1 39874911 QSHJIIJEEWSXKH-BOPFTXTBSA-N 457.577 4.974 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)CC2)cc1 110360802 SBFGWIMSJVDTOP-VAWYXSNFSA-N 468.960 4.780 10 10 JJCE C/C(NCc1ccc2c(c1)OCO2)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205951879 HGSOYWRYBVBKKX-XQNSMLJCSA-N 468.538 4.840 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526327596 IXNBECOXDUBIQH-AREMUKBSSA-N 490.556 4.844 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526328995 RMZFMHDNQUFDKJ-XMMPIXPASA-N 463.486 4.571 10 10 JJCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705721510 FQACAYMYEFDUOB-HSZRJFAPSA-N 474.653 4.917 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1OC 1858590061 VUJQEJYDBXTFDZ-KGENOOAVSA-N 459.589 4.555 10 10 JJCE CCc1sc(NC(=O)C2CCN(C(C)=O)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860626522 MFLWDSQFIMUSTF-UHFFFAOYSA-N 493.423 4.724 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2)sc(C)c1-c1ccc(Br)cc1 1866235139 ZWRPOWFYGHCBDP-GOSISDBHSA-N 485.403 4.926 10 10 JJCE Cc1c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2c(Cl)cc(Cl)cc12 1866297154 WAUZLVXAUSPMAY-HXUWFJFHSA-N 485.371 4.727 10 10 JJCE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2079007782 YYWDQDBMIMQTDY-QGZVFWFLSA-N 454.308 4.713 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)cc1I 2180959376 CCPUCFWVGBHJMZ-CYBMUJFWSA-N 485.326 4.943 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1cccc(OC)c1 2293692906 LOLDXQDMBBESMB-UHFFFAOYSA-N 465.980 4.694 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314837049 NPMJSMQTKNZVGC-LLVKDONJSA-N 465.369 4.817 10 10 JJCE Cc1ccc(NC2=NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)S2)cc1Cl 6859940 KZBDMLUKFHOOQO-FRKPEAEDSA-N 481.755 4.957 10 10 JJCE CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1=O)=C\c1ccccc1 15051084 JAFPCZCRYRQDOA-BEUYGYBQSA-N 468.987 4.820 10 10 JJCE N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 33774609 LIYWGROEKWCGPQ-HRIUQOHOSA-N 462.512 4.568 10 10 JJCE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 83326862 SONSHLWWRZZSCP-MHWRWJLKSA-N 476.794 4.778 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4cccnc4)S3)[C@@H](c3ccccc3O)C2)cc1 206360177 OVIAJHSUJLQYEU-GWJNGDFSSA-N 456.527 4.617 10 10 JJCE CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2N2CCOCC2)cc1 526502758 YJXJQVKTMKOJRD-DEOSSOPVSA-N 461.587 4.708 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 1614240073 FUWSVVGKVVBTRJ-KOEWNKMCSA-N 457.573 4.900 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 1866023459 UTOZTINCZPHQEP-MHZLTWQESA-N 475.548 4.706 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867971651 DWDUNJXJTZCENU-SZPZYZBQSA-N 457.622 4.961 10 10 JJCE CCC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868946715 OHLYYRRZPOVEKB-HOFKKMOUSA-N 497.655 4.988 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423135 GLFCJWXTKWSOHR-UHFFFAOYSA-N 495.583 4.582 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)cc2O)C1 1952451947 DFUSMDCZMSMDQJ-UPCLLVRISA-N 459.498 4.885 10 10 JJCE COc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1952794786 QGXPCHIEYQSXDR-WIOPSUGQSA-N 459.498 4.798 10 10 JJCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)CC1 2053515723 HIJFHRJUMZJJQF-GOSISDBHSA-N 490.654 4.893 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(CO)c2I)cc1C 2079984931 MGTVNYVKNPKGOG-LJQANCHMSA-N 454.352 4.815 10 10 JJCE COCCNCc1cc(F)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)c1 2095883771 RBVIBQNKZKQELA-UHFFFAOYSA-N 453.577 4.839 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c1 2225801003 RNBRCHMSCFSRBG-UONOGXRCSA-N 471.299 4.599 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1Cl 2296932811 NOQWIHJBZWVJCP-UHFFFAOYSA-N 484.339 4.849 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 2297344702 XACMCSMCFRLRAD-UHFFFAOYSA-N 468.560 4.785 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297469686 QYXPSVJILGYEMY-UHFFFAOYSA-N 473.533 4.931 10 10 JJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)o2)ccc1Cl 2313549311 SOTDKVOUCMRAMZ-UHFFFAOYSA-N 478.888 4.752 10 10 JJCE CC[C@@H](C(=O)OC(C)C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945436 UPJQZOVEKGDJOK-KRWDZBQOSA-N 474.604 4.610 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OC(=O)c1ccc(F)cc1 16349478 OTFRQSQQMOVVTL-MOSHPQCFSA-N 474.444 4.869 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N12 20114754 SATBZJJHTRRWLP-ATNGQLTKSA-N 455.521 4.821 10 10 JJCE Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)n1 33323585 SCGFOKVTZHPQOE-NTEUORMPSA-N 482.450 4.834 10 10 JJCE COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(F)c4)C(=S)N=C3O)c2C)c1C 33761663 OMCNSPLDROAWKJ-MTJSOVHGSA-N 491.544 5.000 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 210745212 VGLLJYYFPCWTJH-LTGZKZEYSA-N 498.626 4.969 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526327465 GVIZDFTXYYVJHH-VWLOTQADSA-N 477.513 4.961 10 10 JJCE C[C@H](Nc1cc(I)cc(I)c1)c1ccc(F)cc1O 690417143 ODLLDRQPQRKHGS-QMMMGPOBSA-N 483.062 4.914 10 10 JJCE O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 725442207 JAVBRRFMDWBECP-IECBHUPTSA-N 491.525 4.920 10 10 JJCE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 727476484 WYVPFURKCWWATB-QHCPKHFHSA-N 485.053 4.551 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1 1084261461 FVCTUYKUAYSNBR-JCMHNJIXSA-N 470.525 4.948 10 10 JJCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 1858594203 PODNFNJCBVPWGM-HDAJJNEKSA-N 477.995 4.761 10 10 JJCE CCCN(CCC)C(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347223 CNFKMOKUPGUSKJ-MHZLTWQESA-N 458.606 4.827 10 10 JJCE CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679551 SLERGNABSBZNQX-RIYZIHGNSA-N 462.289 4.865 10 10 JJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C(C)(C)C 2079635739 KFNQLMMNBDUXNJ-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE CN(C)c1ccc([C@@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2106795311 GELRQGBGQXEHDM-DEOSSOPVSA-N 453.627 4.736 10 10 JJCE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(N2CCCCC2)cc1 2106826266 ROKMOODUGDJTSU-JWQCQUIFSA-N 453.627 4.736 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 2293261701 AXDRJKRUCSFASN-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE Cc1cccc(OCCOc2cccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 2293264718 MAWXSZSIVDENSD-UHFFFAOYSA-N 474.464 4.634 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2293500037 IOVWIEPTDOTTLO-UHFFFAOYSA-N 484.965 4.754 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541868 BVXINOAOHQDTML-QZTJIDSGSA-N 484.691 4.877 10 10 JJCE CCOC(=O)COc1c(C=C2SC(=S)N(c3c(C)cccc3CC)C2=O)cccc1OC 2297366693 JMJAWKPZQAKDEI-UHFFFAOYSA-N 471.600 4.914 10 10 JJCE Cc1cccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 2313558542 DFJWHTWWZOOZDL-UHFFFAOYSA-N 469.541 4.968 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2314413621 CJKWZVNRPLQZEA-MRXNPFEDSA-N 464.616 4.787 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(Br)c2O)[C@@H]1C(F)(F)F 2370320173 MEFNRHSEZDLODU-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S 38704475 NNWYOPSOWBTXAM-ZPHPHTNESA-N 480.652 4.913 10 10 JJCE O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O)Nc1ccccc1 54201710 LZWNSYDDUHGYDI-GMAHTHKFSA-N 470.554 4.570 10 10 JJCE CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Br 59198122 DUQRJSXOKQWWOB-ZROIWOOFSA-N 493.155 4.784 10 10 JJCE COc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 95927071 ZIQOYKMLRBPOIC-JCMHNJIXSA-N 491.594 4.941 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210743261 WGXBAOFHILEANU-DEDYPNTBSA-N 472.588 4.507 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)N(c3ccccc3)C2=O)cc1 1084415569 LBVGYFLEJVSGFU-AQTBWJFISA-N 498.276 4.776 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cccc21 1860598323 AJEJWHLPFCCGPM-UHFFFAOYSA-N 496.607 4.856 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162314 PNBVYUUIMWPLJH-SFHVURJKSA-N 459.565 4.944 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420710 UOWJCRAOLBGIBJ-UHFFFAOYSA-N 483.572 4.587 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(F)c(C)c4)c3)CC2)cc1 1874731409 KYPVGDNGLGDVPV-UHFFFAOYSA-N 490.575 4.686 10 10 JJCE CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079938161 CYPAXVKDOWOQQW-KRWDZBQOSA-N 468.335 4.685 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2193313282 IEGWCQPZOLOGNJ-DRPJVOAASA-N 463.775 4.776 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C 2296943150 AEIPOAGCZLMPTK-UHFFFAOYSA-N 490.976 4.819 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)SC1=S 2297303375 AIZIUORFVVXUMS-UHFFFAOYSA-N 498.807 4.967 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 2313541074 PRJXLOONEBSJDO-UHFFFAOYSA-N 476.916 4.984 10 10 JJCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1Cl 2313560243 NUUPECOLZYERFM-UHFFFAOYSA-N 491.931 4.543 10 10 JJCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(C(C)C)cc4)n3)cc21 11857566 VTUFARJFBDLUFI-UHFFFAOYSA-N 471.604 4.870 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Nc2ccccc2OC)C(C)C)c(OS(=O)(=O)CC)c1 37403587 XINDAJLCMQNBNX-UHFFFAOYSA-N 477.627 4.712 10 10 JJCE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccccc4C)s3)=NC2=O)cc1 206386595 KVVBWNBJXIMHDI-GZTJUZNOSA-N 497.627 4.668 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 207316946 ICTCWKNYNXOTOX-WOJGMQOQSA-N 464.572 4.502 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526352382 XDOQUEIFTZZECT-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE C[Si](C)(C)CCOC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 575124354 HYMXJBZQBUNRQZ-LDADJPATSA-N 490.635 4.937 10 10 JJCE COc1ccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1NC(C)=O 917636507 BNAZKODJKQBJEM-JOCHJYFZSA-N 457.490 4.813 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1O 1193292978 DSXJIRVECZTLGP-KRWDZBQOSA-N 452.942 4.603 10 10 JJCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705721511 FQACAYMYEFDUOB-QHCPKHFHSA-N 474.653 4.917 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1OCC 1858589179 KAMGWIHVZICAAT-SFQUDFHCSA-N 464.590 4.898 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)cccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866054027 HWZLXVZQKRZGCF-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868690381 VMVDGANAEIVOEV-WUFINQPMSA-N 491.676 4.829 10 10 JJCE Cc1cccc(Cn2cc(OCCO)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)c1 1870790438 ZFXPMWQBQDCPMC-UHFFFAOYSA-N 455.558 4.932 10 10 JJCE CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C=Cc1cc(C)n(-c2ccc3c(c2)OCO3)c1C 2042446827 DDZAASHCWCRVIS-UHFFFAOYSA-N 474.517 4.918 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080043141 QBJGOAQOSBTLJR-CQSZACIVSA-N 494.251 4.615 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2124540586 JOCRCIMBVIHWHO-GBXCKJPGSA-N 457.575 4.522 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2293139915 JPOWUACAJGAART-UHFFFAOYSA-N 492.416 4.792 10 10 JJCE O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O 2297322305 OSOUDZJOGKOIDZ-UHFFFAOYSA-N 462.141 4.837 10 10 JJCE CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cccc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297632327 CGRKSVQDDUOREC-UHFFFAOYSA-N 490.635 4.736 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314507285 ITFMTEOSSKZQBT-UHFFFAOYSA-N 451.573 4.633 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)NCc1ccccc1 2314837336 RBTJZJUYUYPZCA-UHFFFAOYSA-N 469.588 4.673 10 10 JJCE CC[C@](C)(NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329560774 RZOCZXDESQWBKL-PMERELPUSA-N 489.660 4.739 10 10 JJCE Cc1ccc(CNC(=O)c2snc(C)c2NC(=O)OC(C)(C)C)c(O)c1Br 2380725195 IODLGBSSCCXMCX-UHFFFAOYSA-N 456.362 4.505 10 10 JJCE Cc1oc(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)nc1CS(=O)(=O)c1ccccc1 9212198 SFALFAPPGHDKEH-UHFFFAOYSA-N 489.597 4.620 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1Cl 20236482 UFDIORQWAWGPRK-UHHRIPFMSA-N 467.909 4.647 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C 102396170 OQIUCNXCCPVIPN-DEDYPNTBSA-N 479.583 4.532 10 10 JJCE CC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(N(C)C)cc1 209940607 OWVXJVVFHAFLJH-OVCLIPMQSA-N 451.741 4.593 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526326797 BPWNNEVIMIJTOM-SANMLTNESA-N 490.556 4.844 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526406869 NRXUXRJWXSUBSC-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O 1083990560 JAFKOLOZZODKGW-HMAPJEAMSA-N 490.541 4.635 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCSc1nccs1 1705483521 WVERRMKBHAWXQN-AWEZNQCLSA-N 462.442 4.804 10 10 JJCE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1noc(CC)n1 1705711907 UZBKANZYJNUZQM-UHFFFAOYSA-N 459.598 4.943 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1705730938 QJXJJRPONLSDLW-QFIPXVFZSA-N 489.542 4.713 10 10 JJCE Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860549352 BIJQVBYZHUUPSJ-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867985852 YVFBQCLVDPKZAD-FQEVSTJZSA-N 461.585 4.997 10 10 JJCE O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179514 IASOHGALPBNPIQ-UHFFFAOYSA-N 457.873 4.737 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(F)cc4F)c3)CC2)cc1 1874736951 CMBMWWJXHWLAJQ-UHFFFAOYSA-N 480.511 4.588 10 10 JJCE O=C(N[C@H](CC1(Cc2ccc(O)c(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952090489 OYEPVJINGUSEJY-HSZRJFAPSA-N 473.525 4.803 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2234533338 FENRFKVWLHPHEN-GDZNZVCISA-N 459.812 4.933 10 10 JJCE CCCN(CCC)C[C@H](O)Cn1cc(C=C2C(=O)N(c3ccccc3)N=C2C)c2ccccc21 2297359501 YMBMLYIRQXNBDM-DEOSSOPVSA-N 458.606 4.930 10 10 JJCE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2297467773 NEUQGLOCJLANFR-UHFFFAOYSA-N 497.580 4.824 10 10 JJCE CCCOc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccccc2)C1=O 2314764936 PRNFNQISOUHMOV-UHFFFAOYSA-N 477.405 4.784 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=S 2314927075 YTGHFVWRHDZYML-UHFFFAOYSA-N 465.593 4.557 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 2326945383 FWFNRCXRYLHGOS-UHFFFAOYSA-N 454.548 4.895 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)c3ccccc3)c3ccccc23)SC1=S 2326954599 BJXQTDJLQHWKHC-UHFFFAOYSA-N 464.568 4.590 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)c2C)c1 22224545 VDYJGWCZQKBVMQ-VWLOTQADSA-N 483.540 4.744 10 10 JJCE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)OCC)cc3)N=C2C(F)(F)F)cc1OC 35175005 UECXZBGXTQTSAI-QGOAFFKASA-N 474.435 4.785 10 10 JJCE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990449 RIGTVHOPWKEBCU-BFURNPMBSA-N 472.680 4.532 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCCC(C)C)c(OC)c2)SC1=S 40938222 FXFDFNIELZSVEJ-XMHGGMMESA-N 451.610 4.665 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4csc(C)n4)ccc3C(C)C)CC2)cc1 65060169 VAUYDUDNPMRCJC-UHFFFAOYSA-N 471.648 4.761 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@@H]1c1ccc(N(C)C)cc1 526479452 CYNHVFHEIXVEJJ-VWLOTQADSA-N 488.540 4.614 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 526508966 CZJCFONLPIYNIO-RUZDIDTESA-N 474.513 4.821 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCC(C)C)CC1 1359374527 GLYUPKPPNUTKKP-UHFFFAOYSA-N 494.709 4.800 10 10 JJCE CCOc1cccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1O 1858594113 LRYXGOMXSZNEGG-RCCKNPSSSA-N 454.617 4.657 10 10 JJCE CCOC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)cc1 1860749164 VLWMBRSRBNEDJR-UHFFFAOYSA-N 480.542 4.572 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCOCCO)cc1OCCc1ccccc1 1871141786 GEAUJRBQSOAXSK-UHFFFAOYSA-N 499.611 4.834 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168457 WFZCFHOHJCFTNU-OFVILXPXSA-N 469.585 4.704 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079041471 VGEDHZXLKBWONT-CYBMUJFWSA-N 482.240 4.854 10 10 JJCE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C 2294244464 MKSWMWYSSSZAJK-UHFFFAOYSA-N 487.581 4.549 10 10 JJCE Cc1cccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 2296398052 PYMNDUIUCOVGTQ-UHFFFAOYSA-N 463.921 4.504 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(Br)c1 2296756173 GICHELCGFVMJDJ-UHFFFAOYSA-N 453.408 4.741 10 10 JJCE COc1cc(C=C2C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1OC(=O)c1ccco1 2297499563 MHGIUQNNWSYVMF-UHFFFAOYSA-N 489.484 4.951 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 2297554561 GZLAQIYKGWRGJJ-UHFFFAOYSA-N 454.661 4.925 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 2313548831 GUUNMVHGJUKPCH-UHFFFAOYSA-N 476.916 4.984 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934060 GAGTWSYXXQCINF-CQSZACIVSA-N 457.573 4.905 10 10 JJCE O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1cccc2ccccc12 15056198 CSPCWZUTHIBAQC-ODLFYWEKSA-N 454.960 5.000 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N4C[C@@H](C)C[C@H](C)C4)c4ccccc4n3)CC2)cc1 23432737 MXZRSDKGFUGQMG-SFTDATJTSA-N 458.606 4.688 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 33351528 ZOJDDEFRFVLYSE-QGOAFFKASA-N 458.653 4.852 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=S)N=C2O)c(Br)cc1O 34240788 LMTRVWFCCDWXNG-ZSOIEALJSA-N 475.364 4.842 10 10 JJCE COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(OC)c3O)CC2)c1 34683421 LORWOSUYVOKYNV-UHFFFAOYSA-N 464.537 4.860 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 40564519 KLESTBLDEYRJTJ-XGHPXPSOSA-N 478.573 4.571 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 96592690 BZJLTKLMZMLKTQ-JWGURIENSA-N 492.959 4.966 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 250897035 PSSVCHLUKGFNNV-FXKZBUDASA-N 453.926 4.984 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526623558 AMIVZPHJSBHVOV-RUZDIDTESA-N 460.505 4.664 10 10 JJCE COc1cccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860345015 NJBHKHBQKOEPQE-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)c1 1860893876 PUHCPQLLEBIPEH-QHCPKHFHSA-N 456.590 4.856 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(Cl)ccc3Cl)c3ccccc3)CC2)cc1 1862258668 IJDNOFZDJYQVBX-DEOSSOPVSA-N 498.410 4.822 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679744 DPUQCFKWQYBFQR-CIAFOILYSA-N 478.932 4.902 10 10 JJCE CCc1sc(NC(=O)/C=C/c2cncnc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866150110 XQJOCWKINAGQAC-RUDMXATFSA-N 472.364 4.969 10 10 JJCE CCOc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccc(N)cc4)cc3)c(=O)cc2C)cc1 1866286407 LZNLRCAYYVJQQI-UHFFFAOYSA-N 456.502 4.566 10 10 JJCE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)c1 1873422702 KSGOJRQIMGQBNF-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE Cc1ccccc1-n1ncc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-n1cccc1 1874179398 BYINGEJHIVPBQW-UHFFFAOYSA-N 472.504 4.999 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1 2040526826 DFZSPYYUOSNLDT-HDICACEKSA-N 474.586 4.627 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCCN2C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163154454 SDOSMYHYYPEYNI-RSXGOPAZSA-N 466.670 4.745 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284092215 WYDHAPYENQOCRH-VWLOTQADSA-N 465.638 4.783 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1 2293175801 VEIZVUCIZZWEMC-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2cccc(Cl)c2)c1C 2294034584 HECFYDYZBKXMSY-NRFANRHFSA-N 454.954 4.599 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 2296753937 DCWORWUOYNFROM-UHFFFAOYSA-N 478.574 4.737 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)c1 2296849558 QYDINDMAIOZLPT-UHFFFAOYSA-N 475.551 4.790 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](CC)C(=O)O 2314935717 RLOILMPVMOUXJE-MRXNPFEDSA-N 461.536 4.872 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H](O)CN(C)Cc2ccccc2)c2ccccc12 13576218 AASCVVRBCAYONM-GPMZVODXSA-N 478.596 4.940 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@H]2C=CC[C@@H]21 14544139 SPSWLRMKYKXXNU-BCQCSXDESA-N 476.598 4.696 10 10 JJCE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1 15774387 GFLJAQRCDHNBSP-CJLVFECKSA-N 464.363 4.925 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 33322017 CCIKHXAXHNIHDA-DHDCSXOGSA-N 474.256 4.632 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 33431089 HTQBUHVEIZUCOC-MKQFKDDOSA-N 499.610 4.560 10 10 JJCE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33444749 SJTYUDHYZMEPJG-BYFYWULKSA-N 470.664 4.712 10 10 JJCE O=c1c2cc(I)ccc2nc(/C=C\c2cccnc2)n1Cc1ccccc1 33458094 JXCZQPIRZPSLHQ-FLIBITNWSA-N 465.294 4.615 10 10 JJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)Nc5ccc(OC)cc5OC)cc34)CC2)cc1 65001938 WKZJSAZDPADOLF-UHFFFAOYSA-N 498.583 4.840 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526290171 SKZPBADMYJNXSS-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(NC(C)=O)cc2)[C@@H]1c1ccc(O)c(O)c1 526335456 JMNNUUYGBGSWEJ-XMMPIXPASA-N 490.512 4.521 10 10 JJCE C/C(=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1OC(F)F 1465950814 CDYSKNLXMBEKND-VHUCWBOISA-N 450.913 4.831 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865026840 BJXKDMAQNWZBLV-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE CCCC[C@@H](NC(=O)[C@@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868834421 CPEWZAGFLSQQNP-LOSJGSFVSA-N 486.056 4.866 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170297 URIJGCIEMFONPS-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE CCOc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OCC 1873983623 UTNDLISQIXOUHH-UHFFFAOYSA-N 454.482 4.764 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)C(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)cc1 2053515616 CESUGNHAYFGNMZ-UHFFFAOYSA-N 474.542 4.956 10 10 JJCE CC1(c2nn(Cc3cc(Br)ccc3O)c(I)c2C2CC2)CC1 2079798714 JNQNTSYGTJQTAH-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)=NC2=O)cc1 2296145111 SGUYCDQTDRLNPG-UHFFFAOYSA-N 450.564 4.685 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccc(I)cc3)C2=O)cc1 2296738345 HRYWVRPIYIZTBG-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE Cc1cc(I)cc(C=C2SC(=S)N(C3CCCCC3)C2=O)c1O 2297305930 MNOWHZBOSQFZJC-UHFFFAOYSA-N 459.374 4.839 10 10 JJCE Cc1ccc(OCCCn2cc(C=C3C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1C 2297365699 MGSLSFDEVQCICO-UHFFFAOYSA-N 457.559 4.976 10 10 JJCE CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 2297561776 YSNOEZYZGUQINB-UHFFFAOYSA-N 450.903 4.634 10 10 JJCE CCOc1cccc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1O 2318683996 LRYXGOMXSZNEGG-UHFFFAOYSA-N 454.617 4.657 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 1236986 GPMMOGJZHSUYDI-RTNVFWHRSA-N 459.390 4.942 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)c1 20705895 ZUIOAQHCRKHKDE-DRSNIGMVSA-N 459.955 4.859 10 10 JJCE O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 71875296 TUFMDDDYTHWEBS-UHFFFAOYSA-N 491.528 4.539 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865035253 PFKLFJAHAQNQQX-QFIPXVFZSA-N 484.641 4.636 10 10 JJCE Cc1ccc(C(=O)CCC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1867089916 GFGNEJWPDUMKFJ-UHFFFAOYSA-N 496.563 4.575 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3ccccc3C)c3ccccc3)CC2)cc1 1868952601 LBAVIPHQOXCEPL-LJAQVGFWSA-N 485.628 4.533 10 10 JJCE CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179661 JXBBJSNUMFNTHC-HNNXBMFYSA-N 467.477 4.537 10 10 JJCE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCC 1875212500 YXKYULMYJXVJGI-UHFFFAOYSA-N 478.641 4.805 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2293185154 PNQQWBFSLHIBBZ-UHFFFAOYSA-N 452.511 4.833 10 10 JJCE O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1c1ccccc1 2293606094 AJRQTLKWNVLECE-UHFFFAOYSA-N 453.566 4.860 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)S1 2293618947 CASPRWQRDBHTRV-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1 2297310247 YKYWSAZSMLHYBN-UHFFFAOYSA-N 470.510 4.595 10 10 JJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 2297533905 KXSABOUGLKKBOC-UHFFFAOYSA-N 478.313 4.593 10 10 JJCE Cc1ccc(O)c(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2314937092 YHUGGXXGNJZWJO-UHFFFAOYSA-N 478.542 4.922 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475646 IPWYCTZWFPAMLP-GLDPYIMESA-N 469.563 4.738 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 15038028 RKZYENIUWXHFDR-RGEXLXHISA-N 468.600 4.912 10 10 JJCE CCOc1ccc([C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C(C)C)cc1OCC 97553912 DFSOYULQKUHNNQ-SPNSGGJLSA-N 452.595 4.847 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)ccc1OC 103548082 APCRSWFJRRMCMO-CPNJWEJPSA-N 472.335 4.734 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 211950585 NGSSHFXULYTDSS-PXLXIMEGSA-N 482.627 4.738 10 10 JJCE O=C(NCc1cc(F)cc(NCc2cc(Cl)cc(Br)c2O)c1)C(F)(F)F 708073587 SIZNWVPDRDJDLA-UHFFFAOYSA-N 455.633 4.738 10 10 JJCE C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611861 UTLPCGLTFMZTRK-HNNXBMFYSA-N 482.369 4.950 10 10 JJCE O=C1/C(=C/c2cccc(I)c2)SC(=S)N1CNc1cccc(F)c1 1084462782 FOGYJRJGPZYSDC-NVNXTCNLSA-N 470.332 4.701 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c(Br)c1 1084479167 DZIFFLKQLPTZGC-GZTJUZNOSA-N 469.266 4.823 10 10 JJCE Cc1cc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)ccc1F 1868141742 CCZHSCWACRHPRD-QFIPXVFZSA-N 486.543 4.794 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(F)c(C)c5)[nH]c4c3)CC2)cc1 1872798002 DDXMVGPLRWSWLM-UHFFFAOYSA-N 458.537 4.572 10 10 JJCE CCCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873420687 TTWCVDUFFATXCL-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)c1 1873422061 DJKADKBXOJEZLM-UHFFFAOYSA-N 469.541 4.625 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2078982955 WMAHGODVUUKXEA-GOSISDBHSA-N 468.335 4.801 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079007306 QPXSGGYQIKHVGG-SFHVURJKSA-N 468.335 4.801 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(CN)c2I)C(C)(C)C)cc1C 2079982830 YIGWGNIJQWFBLP-SFHVURJKSA-N 453.368 4.782 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C=O)c2I)cc1C 2080054456 QJLIJCGQSYNIGM-INIZCTEOSA-N 460.262 4.950 10 10 JJCE C[C@H](NC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192611338 MTAGIIHYNMPDJG-LBPRGKRZSA-N 482.318 4.835 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)ccc1Br 2294581508 XUBOKCMYWMEKBH-UHFFFAOYSA-N 457.324 4.812 10 10 JJCE CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OC)cc3)ccc21 20730731 DCIOPCMYASQABC-UHFFFAOYSA-N 496.721 4.779 10 10 JJCE Cc1cc(/C=C2\N=C(S)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33352239 RXNNYJATMMGWEV-NDENLUEZSA-N 450.545 4.910 10 10 JJCE CCOc1c(Cl)cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1Cl 33456152 LIAWXIIZRJKYHG-MLPAPPSSSA-N 450.234 4.807 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC 34690392 ZHYUNTCSPSNLJC-ATVHPVEESA-N 462.980 4.684 10 10 JJCE Cc1cccc2cc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3CCOCC3)nc12 40562481 SZOYFUSHALVDOX-HKWRFOASSA-N 453.633 4.914 10 10 JJCE COc1ccc(-c2c3c(nc4sc(C(=O)Oc5ccccc5)c(N)c24)CCN(C)C3)cc1OC 40570143 SMKINIHHJWDBEG-UHFFFAOYSA-N 475.570 4.770 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccccc3OC)C(=O)N=C2S1 102882555 TWNRHBUPFJACEE-YYNBOACMSA-N 464.547 4.572 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526257896 STHUFJCWQCJQGS-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE COc1ccc(F)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687756261 JHAAFWDQPPMWDD-FQEVSTJZSA-N 451.450 4.594 10 10 JJCE CC(C)(C)C1CCC(CC(=O)NCCc2ccc(O)c(O)c2)(N2Cc3ccccc3C2=O)CC1 1860216758 BUNPCPMXBLJWNT-UHFFFAOYSA-N 464.606 4.778 10 10 JJCE CCc1nc(N2CCC(c3nc(C)c(C)s3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869125560 MRUZKDIHUIXGDI-UHFFFAOYSA-N 492.693 4.832 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cccc(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425998 QSCQMZYSZYVGIF-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE COc1cc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c(OC)cc1Cl 1873988082 CQGOUNNQMFEAAS-UHFFFAOYSA-N 460.873 4.638 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1ccc(Cl)c(Cl)c1 2296136223 VSWGDWWOHWAIEW-UHFFFAOYSA-N 458.276 4.649 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(Br)o3)SC2=S)cc1OC 2297554696 SQJFVYNLNYDAID-UHFFFAOYSA-N 454.367 4.503 10 10 JJCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2Cl)c1C 1053629 NSPRFPULOPZELK-CVNFFVDQSA-N 454.954 4.599 10 10 JJCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC(C)C)cc4)n3)cc21 11858069 VGTRNCUHICOFET-UHFFFAOYSA-N 487.603 4.534 10 10 JJCE Oc1ccc(CNc2c(Br)cc(Br)cc2Br)c(O)c1 20504468 QBROHWVMYPADQO-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE CC(C)N1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 33624981 VAZCKCXNVHZFHB-LFIBNONCSA-N 457.964 4.750 10 10 JJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN23)cc(OC)c1OC 36059967 WYEGKJHZVZZVNK-BCHFMIIMSA-N 462.502 4.669 10 10 JJCE CCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 40852393 LSMGYPZTTCGOLP-HKWRFOASSA-N 471.604 4.596 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCCCC2)cc1 101077952 WGVQNKUHRMAXAZ-RCCKNPSSSA-N 467.367 4.794 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2 226721008 FBYZAAKFCHKDAJ-XFQAVAEZSA-N 463.397 4.668 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526381487 KANUFHRJLXJPBG-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526542855 UQPVRHBNVBVEIL-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE Cc1ccc(C)c(CN2N=C(c3ccccc3)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)c1 1865679368 JUPVXZZATVFRNX-XKZIYDEJSA-N 469.497 4.813 10 10 JJCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4c(Cl)cc(Cl)cc4C(=O)O)cc3C2=O)cc1 1865878736 QXSVGQGTJMNHMM-UHFFFAOYSA-N 499.306 4.749 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1866025924 FUTUHVFUPHLWRU-UHFFFAOYSA-N 488.500 4.764 10 10 JJCE CC(C)(C)c1ccc2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c2c1 1866518642 MEQKUPMKRCIUFQ-UHFFFAOYSA-N 450.494 4.853 10 10 JJCE CCC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696173 RSCCVQOMIMQADF-RRPNLBNLSA-N 479.665 4.767 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(CCCN(C)C)C2=O)cc1 1873421029 CQEMEMWERCETEU-UHFFFAOYSA-N 477.008 4.891 10 10 JJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951664495 ATTJTEUWEHKVQH-JOCHJYFZSA-N 462.458 4.745 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2296546126 OREUHRZVDCBBFO-INIZCTEOSA-N 464.616 4.725 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459138 NHFMTJGYFUJVNX-ISJBWFOZSA-N 462.571 4.706 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 14477532 XIHDQSZIXUWARO-DRSNIGMVSA-N 465.402 4.841 10 10 JJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15046781 KXNXXKNMKVIWML-ZSAINHDTSA-N 477.405 4.686 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=N)N12 20114746 OTTGBLVZXISTQX-OSIMKLFKSA-N 454.533 4.611 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 20706514 FWUMVHNYNMJDQU-JFNLIGNMSA-N 453.926 4.984 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NC3CCC(C)CC3)nc12 33489173 KBOAZWOHTBAVMQ-PDGQHHTCSA-N 456.637 4.603 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(CN2C(=O)COc3ccccc32)cc1 96465470 AVNFFFSZJROVCB-UHFFFAOYSA-N 488.499 4.640 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCc2ccc3c(c2)OCO3)cc1 205962706 UMDOOARBRLFQLJ-LFVJCYFKSA-N 498.564 4.848 10 10 JJCE Cc1cc(CCNC(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c(C)n1-c1ccccc1 728126517 FIKUZXZCFYVFKL-HSZRJFAPSA-N 458.566 4.778 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O 1084071593 UWDUNBQHAPBXHO-JJFYIABZSA-N 472.541 4.535 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CCCC2 1859479142 XQPFFYBFVDRNEZ-QGZVFWFLSA-N 454.592 4.666 10 10 JJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014012 LLDJJUNQDDJWDM-GAJHUEQPSA-N 496.567 4.560 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868834419 CPEWZAGFLSQQNP-DQEYMECFSA-N 486.056 4.866 10 10 JJCE CCOC(=O)CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870876362 IXEXOJVKPHNDDG-RUZDIDTESA-N 491.588 4.715 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccco1 2293410413 CVFJPCAVIXRITP-UHFFFAOYSA-N 451.525 4.909 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1 2293648369 AXZLGHUALPQMPM-UHFFFAOYSA-N 484.965 4.836 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 2294046423 LUDNBMVBJUUIFR-UHFFFAOYSA-N 456.546 4.551 10 10 JJCE O=C1C(=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296848561 FIYMPYTYIVVMDS-UHFFFAOYSA-N 471.563 4.888 10 10 JJCE O=C(NN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S)c1ccccc1O 2297463700 DPADXHSCORVESV-UHFFFAOYSA-N 498.589 4.791 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297506388 SXHBWOVJOGLXQI-UHFFFAOYSA-N 464.113 4.746 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 2313557521 FPJZUYKHQPBTGS-UHFFFAOYSA-N 498.869 4.872 10 10 JJCE COc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)c1 2313682943 OGQYWFFNOGCMCU-UHFFFAOYSA-N 458.474 4.749 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S 2314769799 VKPISRMOPLDTQX-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3O)o2)ccc1Cl 33316156 JZVYGOKAZMHRGP-BOPFTXTBSA-N 450.834 4.801 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3ccccc3Cl)C2=O)cc(OC)c1OC 33739418 XVBPLWWWUYQBCV-YVLHZVERSA-N 450.969 4.637 10 10 JJCE COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(OC)c3O)CC2)cc1OC 34683234 FRHFCSNCVUWGDT-UHFFFAOYSA-N 494.563 4.869 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39990111 SUGMRBGWAHXKIP-SJJRUYGKSA-N 486.707 4.922 10 10 JJCE COc1cc(/C=C2\SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)ccc1O 54201424 BFPQWWBOUXCZDP-CFKHXJFWSA-N 471.538 4.928 10 10 JJCE CCOC(=O)c1c(COc2ccccc2F)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393653 ZRTOZJYNMNKJAB-UHFFFAOYSA-N 477.536 4.902 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101525610 CFVMIJWFWKICMM-MFOYZWKCSA-N 461.477 4.525 10 10 JJCE COc1cc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(Cl)c1OC 206133318 SKZGAZRRTPYWNS-ZAGZISDZSA-N 458.986 4.644 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)Nc1ccccc1C(F)(F)F 210694931 WXQJVYFVUKOVOP-LFIBNONCSA-N 452.479 4.641 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 210695497 PPZRGWZPMPPPSG-LFIBNONCSA-N 481.477 4.844 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873425195 RHJNWNFTHQPIOB-UHFFFAOYSA-N 456.590 4.628 10 10 JJCE CC(C)(Cc1ccc(O)c(O)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952544232 AUZZZSQPQYXRGV-DEOSSOPVSA-N 461.514 4.658 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2053504425 FNNWTXLCUPCRNR-SFHVURJKSA-N 480.523 4.752 10 10 JJCE Oc1c(Br)cccc1Cn1nc(-c2ccccc2)cc1I 2070033802 GLBQONKZZLDITN-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE CC(C)(C)OC(=O)NC1([C@@H](O)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)CC1 2163094968 QCDYIQQKTNQNOR-VWLOTQADSA-N 465.638 4.880 10 10 JJCE COc1ccc(Br)c(CNCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1O 2211302329 BCTWPKUXPTUVQT-UHFFFAOYSA-N 481.387 4.622 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 2293127108 IYZRWSOXNHMGDF-HNNXBMFYSA-N 458.470 4.825 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 2293202319 YVDIRLYFEPFCDI-UHFFFAOYSA-N 494.573 4.581 10 10 JJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2296934972 UTOFNPYFPSPHJU-UHFFFAOYSA-N 474.542 4.643 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 2297347438 NDOAHZJBRASBPM-UHFFFAOYSA-N 469.950 4.970 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(Br)cc2O)[C@H]1C(F)(F)F 2370320286 NAYDIQGFOAKKKT-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 1206810 ZCKGIQWBOXREOW-FYJGNVAPSA-N 494.345 4.532 10 10 JJCE O=C1CCN(c2cc(Nc3ccc(C(=O)O)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3742054 SKOKSYNLUCUEJA-UHFFFAOYSA-N 453.454 4.650 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)COc3cccc(C)c3)CC2)cc1 9251219 IUHREZUYENNBRH-UHFFFAOYSA-N 499.567 4.730 10 10 JJCE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)o1 33316209 BDKALNCOPZEJMD-UNOMPAQXSA-N 461.430 4.987 10 10 JJCE CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 33337564 FPHFQSTWRJUZDK-UNOMPAQXSA-N 490.313 4.741 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 33417654 VKHYLPDDLYPAGV-HAVVHWLPSA-N 464.656 4.932 10 10 JJCE O=C1/C(=C\c2ccc(O)cc2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1 34222000 FURMULSOGSTHQZ-XSFVSMFZSA-N 479.355 4.903 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152232 YWVIMXRRCLXOQO-RGEXLXHISA-N 471.560 4.614 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 210745506 XYPQUQRKFLADGF-XMHGGMMESA-N 472.563 4.924 10 10 JJCE CC(C)NC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946231 XROFOZCMAAMXRW-UHFFFAOYSA-N 497.599 4.551 10 10 JJCE CCNC(=O)COc1cn(CCC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870975418 SEERFVAVVBBBKF-UHFFFAOYSA-N 462.594 4.765 10 10 JJCE CCCCOCCCN1C(=O)C(N[C@@H](C)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167999 FPFRUMQJXZBFQE-IBGZPJMESA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425895 JCMHHXNHSJEWJU-UHFFFAOYSA-N 487.510 4.530 10 10 JJCE COc1ccc([C@H](C)NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873938013 SYNLULRAMVHSDH-IBGZPJMESA-N 492.579 4.850 10 10 JJCE O=C(O)CC=C[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951695107 IGDGJSNYNJWBSE-GOSISDBHSA-N 459.498 4.579 10 10 JJCE O=C(Cc1cccc2ccccc12)NN1C(=O)C(=Cc2ccc(OC(F)F)cc2)SC1=S 2053623451 ZEHOYBVWIWSCAL-UHFFFAOYSA-N 470.522 4.916 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2079034795 SIDHBZWRFHKFDF-AWEZNQCLSA-N 470.351 4.975 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)c(C)c1 2314487925 UPSBZHVVMHOFHC-UHFFFAOYSA-N 477.405 4.572 10 10 JJCE CCCCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OC 2314768205 JXLXUASCCRKUSP-UHFFFAOYSA-N 488.425 4.703 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccc5ccccc45)cc3)C2=O)cc1 8711802 XPCJQNWWHOAQMJ-UQQQWYQISA-N 492.487 4.734 10 10 JJCE Cc1cccc(N2CCN(C(=O)c3cnn4c(O)c(Cc5ccccc5Cl)c(C)nc34)C[C@@H]2C)c1 9490864 DSHRRKGXQCRFGC-SFHVURJKSA-N 490.007 4.647 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(O)=NC2=S)cc1 33333694 NRNJDUCMNOYFPM-BOPFTXTBSA-N 482.901 4.978 10 10 JJCE CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 53363783 ZMOPZNPOFKJOMV-JYFHCDHNSA-N 460.530 4.809 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)o1 59861947 DGITVZZCZLZZSC-LDADJPATSA-N 461.430 4.987 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCc2c[nH]c3ccccc23)cc1 205963126 SKSZXHBQDHXTLT-NLRVBDNBSA-N 495.539 4.942 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 207317767 HFZPLBSHESXQMT-UDWIEESQSA-N 490.610 4.764 10 10 JJCE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 323359922 WMPYZCXHPWFRQN-FQEVSTJZSA-N 450.627 4.520 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526622849 PSMYGORCHFRABG-SANMLTNESA-N 489.524 4.659 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1C 1083889010 IDDDEYXJHMFUFD-GZTJUZNOSA-N 464.861 4.581 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2F)sc(C)c1-c1ccc(OCC)cc1 1860762519 IYDDWIRNEFUDOW-UHFFFAOYSA-N 484.549 4.693 10 10 JJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865925761 QUFHLLOOLAINLP-BDYUSTAISA-N 490.692 4.574 10 10 JJCE CCc1sc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865927421 UGVOHIIAVUWFII-CQSZACIVSA-N 493.423 4.722 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(CN)cc2)sc(C)c1-c1ccc(Br)cc1 1866012972 NUVUKQRPWJTHAF-UHFFFAOYSA-N 459.365 4.984 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](Oc5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869099809 IHIHNWLYDTYSLK-SANMLTNESA-N 487.648 4.983 10 10 JJCE COC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871720 XJWNGGVGIUPBFK-UHFFFAOYSA-N 469.541 4.804 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ccc3[nH]2)cc1 1873508465 KUYJYKJMGFIVCJ-UHFFFAOYSA-N 498.587 4.947 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CCC3)c(CN)c2I)cc1C 2079999567 KPTJANLPHYMGHI-LJQANCHMSA-N 453.368 4.782 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OC)cc1OC 2313510793 RMGLEOFAUREJSY-UHFFFAOYSA-N 472.335 4.734 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467269 HEOYLKXJQFXWOF-GCKMJXCFSA-N 481.401 4.546 10 10 JJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15045582 BMEHXZPXNJUQNL-MFVBVHDHSA-N 461.406 4.986 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3cccc(O)c3)C2=O)cc1 33373189 QINNRLBMTXTKFS-XSFVSMFZSA-N 456.589 4.801 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133693 WGCHWICWMQBCAY-BOPFTXTBSA-N 482.612 4.517 10 10 JJCE O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccccc1F 211955535 MVHXRSFDNCANEP-UDWIEESQSA-N 468.531 4.838 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526165918 PJCJNJFAHYDGTH-RUZDIDTESA-N 470.481 4.720 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(C)c(C)c4)cc3F)cc2)CC1 1556199195 DYOPVYYTAVINCB-UHFFFAOYSA-N 459.565 4.708 10 10 JJCE COc1ccc(OC)c(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1 1860084770 JZGQMAARVKIGPK-VGOFMYFVSA-N 451.982 4.781 10 10 JJCE CCCNC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871135360 YNBKSNDXEDUYDQ-UHFFFAOYSA-N 497.599 4.552 10 10 JJCE COCCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419790 AHCYOJJDNNFPKY-UHFFFAOYSA-N 463.965 4.894 10 10 JJCE Cc1ccc(CCNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873895226 IETZUGPLEDVUPH-UHFFFAOYSA-N 476.580 4.632 10 10 JJCE CN1CCc2cc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](F)C(=O)O)ccc21 1927493650 QXJZTJGDLVEOLK-DQEYMECFSA-N 460.505 4.681 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2079036653 ZSAVYHTZWHJALH-AWEZNQCLSA-N 496.267 4.943 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294034406 WVMHAENWBBLDNY-UHFFFAOYSA-N 498.579 4.796 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1C 2313562089 CTNSUXIXXRVKEK-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314413936 LXRUMJUKEMVPLD-UHFFFAOYSA-N 490.654 4.801 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1OC 2323790367 WBPSEACKOTWXMZ-UHFFFAOYSA-N 464.406 4.910 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc(OC)c1OC 2323882132 FUBLLXLYIIJVOS-LJQANCHMSA-N 484.643 4.751 10 10 JJCE CCN(CC)c1ccc(C=c2sc3nc([C@@H](C)Oc4ccc(Cl)cc4Cl)nn3c2=O)cc1 2326224881 QYNWWZLRLLBGSC-CQSZACIVSA-N 489.428 4.992 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2C)ccc1OCC(=O)N(CC)CC 2332139824 WVFZEWAXPJETKI-UHFFFAOYSA-N 483.996 4.788 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33467411 LMXQQOBTHNGPPM-NBVRZTHBSA-N 456.637 4.686 10 10 JJCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 33469814 GWPCRMCKGAOGRF-XSFVSMFZSA-N 482.675 4.773 10 10 JJCE C/C(=C1\SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)c1ccc(Br)cc1 34990279 BNBRFVDTSHSZDV-OQLLNIDSSA-N 450.335 4.649 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 83328859 JAEWZALLCLECMW-VHEBQXMUSA-N 486.018 4.793 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)CC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526573302 WDSZCMTYSSPRFG-RUZDIDTESA-N 474.513 4.902 10 10 JJCE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N(C)C)cc1C 1705711229 DYHABEBYDBMWGW-UHFFFAOYSA-N 457.420 4.861 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccccc1Cl 1865679635 XMQHHLLRYROPGH-UNOMPAQXSA-N 475.888 4.850 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866469920 HMYYUGIYWYJFCB-UHFFFAOYSA-N 472.884 4.526 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871665209 MFOGMKWHSDJPDC-UHFFFAOYSA-N 496.059 4.792 10 10 JJCE CCCCC[C@@H](CC)N1C(=O)C(NCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165247 KMRRBDIEXUXABF-JOCHJYFZSA-N 451.611 4.769 10 10 JJCE Cc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421304 QKJPPAXPYQUKGO-UHFFFAOYSA-N 477.008 4.810 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2040479927 DBLDZGGKSJHESJ-FQEVSTJZSA-N 451.525 4.982 10 10 JJCE CCN(CC)c1ccc([C@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2163144793 AJVALHJSJXCELE-LSYYVWMOSA-N 466.670 4.963 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1 2293344047 WCHHLCPMRLTQAT-UHFFFAOYSA-N 478.574 4.962 10 10 JJCE O=C(NN1C(=O)C(=Cc2nc3ccccc3[nH]2)SC1=S)c1ccc(OCc2ccccc2)cc1 2296883038 KLWGZRRHUIGJMZ-UHFFFAOYSA-N 486.578 4.688 10 10 JJCE CCCN1C(=O)C(=Cc2cc(C)n(-c3cc(C)ccn3)c2C)C(=O)N(c2ccccc2)C1=S 2297358681 XADHFYWICKRSFZ-UHFFFAOYSA-N 458.587 4.751 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2297364316 COIUEWSJYOQIDJ-UHFFFAOYSA-N 498.948 4.606 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297468284 WEBXRIWISHHBQC-UHFFFAOYSA-N 487.928 4.622 10 10 JJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)c1 2313560811 HNZNTCQVGVRSBP-UHFFFAOYSA-N 494.414 4.996 10 10 JJCE O=C1C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCO 2323676484 ZNNNBWHWENEJDR-UHFFFAOYSA-N 458.992 4.567 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)ccc1OCC(=O)N(CC)CC 2332139662 FQKFHROZWHLLTG-UHFFFAOYSA-N 477.605 4.751 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ncccn5)CC4)cc(NCc4ccccc4)c1c23 9641953 ZCEODINCBDPQOC-UHFFFAOYSA-N 488.551 4.768 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 14476974 WUSBHBODZKWDSQ-WJONJSRFSA-N 465.402 4.841 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1 34766689 RGCJXXPERCUOGC-QOAJVQELSA-N 471.970 4.794 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 206726837 QQIKMRZHBNDXMF-FYJGNVAPSA-N 463.584 4.558 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526617384 SZUKMEDZJUHNRH-QHCPKHFHSA-N 487.430 4.980 10 10 JJCE Cc1cc(C(=O)[C@@H](C)N2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccc(OC(F)F)cc1 727237086 AKXSESGAQCIPIA-HXUWFJFHSA-N 487.591 4.991 10 10 JJCE O=C(Nc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1)[C@@H]1CCCO1 917636579 CLOHCWKFGIIORO-ZEQRLZLVSA-N 483.528 4.964 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053578081 ZMDXBQZUSHKRNC-UHFFFAOYSA-N 476.532 4.710 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079957945 NRKHWYLOXATFLI-KRWDZBQOSA-N 469.367 4.668 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](NCc2cc(Cl)cc(Br)c2O)(C(F)(F)F)C1 2159808569 BVEPTZBXQXRTDP-MRXNPFEDSA-N 473.717 4.840 10 10 JJCE CN1CCCc2cc([C@@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163098968 ZBQDJYCWOZGBGK-LEAFIULHSA-N 466.622 4.946 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296939527 POJMBMGRLMTBDI-UHFFFAOYSA-N 491.975 4.873 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OC)c1 2297335131 ANKDJNMVANAZIG-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)c2C)cc1 8935915 JZTOXYAEQSXLNT-SANMLTNESA-N 481.499 4.654 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461309 MUXJFEALUSDAHB-SCYDXJQRSA-N 469.379 4.890 10 10 JJCE COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@H](C)O[C@H](C)C4)c23)cc1Cl 17418535 VKYLTUMTTHDGNC-OKILXGFUSA-N 458.942 4.970 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3ccc(OC(F)F)cc3OC(F)F)CC2)cc1 209669658 GBJGVBYLBGVORN-WMZJFQQLSA-N 468.447 4.650 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526630390 JPYIPRIJIMWSDH-RUZDIDTESA-N 490.556 4.844 10 10 JJCE CCS(=O)(=O)Nc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1 917632309 ADKUCXHGXLCLGE-QFIPXVFZSA-N 477.546 4.608 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)o1 1084383131 XSNWZBMYMMEDPH-ZHZULCJRSA-N 459.458 4.646 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccccc5[C@@H]4C(C)C)nc(C)n3)CC2)cc1 1869288022 XSMDYGVRPGCQAX-NDEPHWFRSA-N 457.622 4.880 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970753 PCVZYLKWBCZCAN-UHFFFAOYSA-N 488.979 4.508 10 10 JJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)c(O)c1 2079022872 LNWNAIJLIYHIRO-KRWDZBQOSA-N 453.368 4.647 10 10 JJCE CC1(c2c(C3CC3)nn(Cc3ccc(Br)cc3O)c2I)CC1 2079736373 VGXOUQWDQRNPPY-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 2313507495 PYFOKNYQJMTZGH-UHFFFAOYSA-N 468.297 4.605 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 2313543581 OVGAEYVNFHNSLX-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 2313549514 YBYIZXJAUARHKQ-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)N(C)C)cc1 2318684245 VRLZRHOJBDGMIP-SFHVURJKSA-N 450.988 4.992 10 10 JJCE COc1ccc(/C=C2/N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)cc1 1082577 KTYJATZNTXEAIR-DEDYPNTBSA-N 455.495 4.838 10 10 JJCE CCN1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 2494286 VUSYLZCRFKNPDP-UHFFFAOYSA-N 482.540 4.696 10 10 JJCE Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 21594557 YVPQQXPZFOAIMJ-UHFFFAOYSA-N 453.523 4.687 10 10 JJCE O=C1/C(=C\c2ccc(O)c(Br)c2)C(O)=NC(=S)N1c1cccc(Br)c1 34222102 AELDCQLGZHEKEM-SDQBBNPISA-N 482.153 4.589 10 10 JJCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C 102446191 BSNVWWVNTYZDTK-IOPUFQEFSA-N 469.570 4.965 10 10 JJCE Cc1ccc(CNc2c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 208273089 ZAXZHRGOHFAIGT-CIAFOILYSA-N 478.643 4.630 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 210694970 BYOZJRBPINWXQT-GZTJUZNOSA-N 482.505 4.650 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(OC)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526230017 UQTWDOQCKAMKNA-XMMPIXPASA-N 493.512 4.580 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526297569 DHTUGSHEPUYRRA-OAQYLSRUSA-N 453.878 4.826 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@@H]1c1ccc(N(C)C)cc1 526480209 TZIZVIXHXHLXTD-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE CC[C@@](C)(NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409129 YDVLDZHAONJPIE-RPLLCQBOSA-N 485.072 4.648 10 10 JJCE CC[C@@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1869282554 HXWQPAPVGXGZEV-JOCHJYFZSA-N 461.585 4.997 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 1874016129 AQAOYDPQHVHULK-UHFFFAOYSA-N 489.462 4.553 10 10 JJCE CCN1C(=O)C(=Cc2cccc(OCCOCCOc3ccc(C)c(C)c3)c2)SC1=S 2293239052 JVTPLOJDLMSOPQ-UHFFFAOYSA-N 457.617 4.999 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1 2294204827 HXDDBSBIXIVUEG-UHFFFAOYSA-N 497.916 4.738 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)c1 2296938699 QFHIJAJSFKLJJD-UHFFFAOYSA-N 467.594 4.779 10 10 JJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2314509511 UVSUWRXGZZSCKF-UHFFFAOYSA-N 465.600 4.961 10 10 JJCE O=C(O)CCCCCNC(=O)CN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314827687 KGAGEFBAGVPHBT-UHFFFAOYSA-N 492.622 4.955 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314831205 FVNWOJZBDWMKRM-UHFFFAOYSA-N 471.560 4.614 10 10 JJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccccc2Br)C1=O)C(=O)O 2314931448 OIXACARKQJFSBC-NSHDSACASA-N 464.362 4.707 10 10 JJCE Cc1ccc(CN[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(O)c1Br 2352676429 PIELYQDVCKFRFY-IBGZPJMESA-N 459.384 4.744 10 10 JJCE CCOc1cccc(CN2CCC([C@@H](Cc3ccc(F)cc3)N(C)Cc3cn(C)nc3C)CC2)c1O 12219266 NAPJMWAVMWHYNU-HHHXNRCGSA-N 494.655 4.927 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 35638458 SFSYHZQMQIEQFR-KNKXVHGUSA-N 477.655 4.573 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3cccn3CCOc3ccc(Br)cc3)C(=O)N=C2S1 101397501 YDELABHUDZOCED-SLWLXCFBSA-N 486.395 4.749 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(NC(C)=O)cc3c2=O)sc(C)c1-c1ccccc1 1866440071 PXZABTSBSPVBHY-UHFFFAOYSA-N 475.526 4.562 10 10 JJCE CCCCc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871499472 WAUBXVUPVKSUNP-UHFFFAOYSA-N 489.668 4.783 10 10 JJCE CCOCCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872743826 NROCIJNDXLLDJF-UHFFFAOYSA-N 472.545 4.742 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873170870 UZHLXVAHXWYIOI-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1c(O)cccc1[N+](=O)[O-] 1953032070 WOAYLKCZRXLSKJ-CYFREDJKSA-N 474.469 4.697 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](CNCc2cc(Cl)cc(Br)c2O)(C2CC2)C1 1965955242 GISMMAQQCHULBQ-HXUWFJFHSA-N 459.812 4.935 10 10 JJCE CCc1c(C(C)(C)C)nn(Cc2ccc(Br)cc2O)c1I 2079714135 BNEFEWGLOHPTLO-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080052663 BSQRLOZARVNXPC-HNNXBMFYSA-N 480.268 4.711 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296543575 NKSINOVBGOHTIM-QGZVFWFLSA-N 478.643 4.923 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(OC(F)(F)F)c1 2297471322 XPSNJAJFZZXWKB-UHFFFAOYSA-N 490.463 4.847 10 10 JJCE Cc1ccc(-c2nnc3sc(CCCN4C(=O)C(=Cc5ccccc5)SC4=S)nn23)cc1 2297500605 DGXXPYWUTPCGJU-UHFFFAOYSA-N 477.640 4.995 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c(OC)c1 2313541614 QQGBYPNMQFDBHJ-UHFFFAOYSA-N 489.597 4.559 10 10 JJCE CCCCCOc1ccc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC 2314759891 GHLGGCRHOVEDRJ-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCc1cc(-c2ccccc2)no1 2314913656 NPFWLVXDRQOYTE-UHFFFAOYSA-N 484.002 4.903 10 10 JJCE CCOc1cccc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)c1O 2323882089 BDJMCDXYKYBWDH-IBGZPJMESA-N 454.617 4.829 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc(F)cc1 15039594 MJHQARJHUYHZJE-BOPFTXTBSA-N 450.944 4.805 10 10 JJCE COc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1OC 27515544 JIXYACKKOMKHQQ-JJIBRWJFSA-N 459.571 4.650 10 10 JJCE O=C(CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1cccc(Br)c1 33330924 TXTYMOHZDSIJFP-RFYPFHFPSA-N 459.390 4.845 10 10 JJCE Cc1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 33457576 LMMIENATFTZTGH-NDENLUEZSA-N 477.904 4.948 10 10 JJCE CCCCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OCC)c1C 44827045 KBCVHCSXEFEZKP-JXAWBTAJSA-N 469.563 4.909 10 10 JJCE Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nccn3n2)c(C)c1 64958864 ZCLVRFVPYJQFBI-QHCPKHFHSA-N 482.632 4.612 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(-c5ccc(C(=O)O)cc5)o4)C(=O)N=C3S2)c1 89269829 SNNNOSJMEFMQQP-ZKZDLDBDSA-N 486.509 4.651 10 10 JJCE O=C(O)CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 210420208 UWRHTKAMODYYLJ-YBEGLDIGSA-N 453.463 4.965 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226799373 HGTMRTMLQHKKCY-RNHFSVANSA-N 484.618 4.714 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526431198 BJXWAEJRLGWRMU-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)ccc1OCc1ccccc1 1858590337 KOWPWPVNNIYKLX-UOBPLZBXSA-N 489.640 4.682 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CC)cc1OC 1865675392 FMWLNDRYULTQHE-OQKWZONESA-N 463.578 4.919 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@H](C)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867977796 DBKLNILDCVPJGX-BGYRXZFFSA-N 494.039 4.746 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)[C@H](C)c4ccccc4)c3)CC2)cc1 1874727201 LHJMCHVBVVETAF-JOCHJYFZSA-N 471.601 4.832 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 1874739232 WZDWVXUYZOWBII-UHFFFAOYSA-N 493.003 4.892 10 10 JJCE COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)nn1 1891151741 XODOFUMKRYNZER-LSQMVHIFSA-N 497.643 4.674 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080030546 OGMJJCKAIBWAHB-SFHVURJKSA-N 469.367 4.564 10 10 JJCE O=c1c2cc(I)ccc2nc(C=Cc2cccnc2)n1CCc1ccccc1 2297368008 MYJQGLVWKYLKMV-UHFFFAOYSA-N 479.321 4.809 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O 2313560527 WNFBQGGWNJZAOK-UHFFFAOYSA-N 451.822 4.517 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)SC2=S)c1 2314539004 ITMRHLUJFFRUEC-UHFFFAOYSA-N 454.312 4.796 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314837987 ZLAAWWWKPZEOSZ-CQSZACIVSA-N 479.583 4.573 10 10 JJCE O=C1/C(=C\c2cc(Cl)cc(Br)c2O)C(O)=NC(=S)N1c1ccccc1F 59135857 OGQJVXCLIMPELW-POHAHGRESA-N 455.692 4.619 10 10 JJCE CCOC(=O)C1=NN(c2ccccc2)/C(=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)S1 109133208 BAKSRGYAYUGKRA-DAFNUICNSA-N 468.538 4.779 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OCC)[C@H]2c2ccc(O)c(O)c2)cc1 526239983 LEBKNFJKMVMQJR-XMMPIXPASA-N 477.513 4.961 10 10 JJCE COc1ccc(N2CCN(Cn3nc(-c4ccoc4C)n(-c4ccccc4)c3=S)CC2)cc1 884444350 HVHFPZPKJWLOII-UHFFFAOYSA-N 461.591 4.760 10 10 JJCE COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1 1860086023 DQWAWUIXJJAVJI-OVCLIPMQSA-N 452.326 4.781 10 10 JJCE CCc1sc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865927420 UGVOHIIAVUWFII-AWEZNQCLSA-N 493.423 4.722 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867110867 KZYJZLOIMMUECE-JJCDCTGGSA-N 498.579 4.888 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867660757 MPXNAZYPIFXUFY-HHHXNRCGSA-N 486.660 4.758 10 10 JJCE CCCc1nc(N2CCC(N3CCCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869224357 KNFMSIYSUHOMKR-UHFFFAOYSA-N 492.712 4.609 10 10 JJCE CCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164741 PXADALKGOYDEGC-UHFFFAOYSA-N 457.574 4.643 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4c4cc(OC)ccc34)CC2)cc1 1892028400 WNHQNGCBCSJABI-UHFFFAOYSA-N 456.542 4.981 10 10 JJCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2106868904 ZGSJWPLPOANJKW-PNTFMKQHSA-N 453.627 4.828 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 2294208549 ZQMBRMNKUNGDMX-UHFFFAOYSA-N 467.344 4.849 10 10 JJCE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 2297349678 XJUYLIXWPAQLRU-UHFFFAOYSA-N 494.432 4.884 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 2313557539 FVDSBUWSCNWEGH-UHFFFAOYSA-N 498.869 4.872 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCc1ccccc1 2314761109 PYEUWMKTZSHKTG-UHFFFAOYSA-N 471.600 4.819 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314831962 WODIWUMXVSFNGK-UHFFFAOYSA-N 498.626 4.969 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)cc3)SC2=S)cc1 2314928777 BIKGMIUEPOWZIV-HNNXBMFYSA-N 456.589 4.791 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3ccccc3Cl)c3ccccc3)CC2)cc1 2330455780 QZYZEPZWGMHQLN-MHZLTWQESA-N 490.003 4.568 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 20236208 XYAMUXCFIMBBHL-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4nc3Cc3ccccc3)CC2)cc1 33068790 WAVQEVYJVUPZNR-UHFFFAOYSA-N 484.625 4.670 10 10 JJCE CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(=O)c1cccs1 33333126 RTVCEKFIXQRTIX-GZTJUZNOSA-N 482.945 4.789 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 39835965 MSMLWANRBRJKGZ-SFQUDFHCSA-N 455.536 4.546 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 40938972 JTJZKNZULFGIMZ-MRCUWXFGSA-N 474.648 4.918 10 10 JJCE Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 109179714 QEYPTIYURRGIPY-VSRDTVRMSA-N 463.603 4.758 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)o2)ccc1Cl 1084351130 SFGKDMOBPAJRRK-PDGQHHTCSA-N 478.888 4.670 10 10 JJCE COc1ccc(N2CCN(C(=O)COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 1858082543 JWSDZXIJHUSJKA-UHFFFAOYSA-N 460.618 4.891 10 10 JJCE CC(C)CC(=O)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858892282 DWIONHOHUPQIFC-UHFFFAOYSA-N 456.498 4.735 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860344970 KZVOYXPKSJWOGS-NDEPHWFRSA-N 480.568 4.831 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860627928 SONHDTBAASIYMF-UHFFFAOYSA-N 454.592 4.714 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N2CCCc3ccccc32)sc(C)c1-c1ccc(F)cc1 1860747124 VTFUYENPFDEYEM-UHFFFAOYSA-N 466.534 4.957 10 10 JJCE CCc1sc(NC(=O)[C@H]2CCCCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866039227 WORQTZAUYGOUOC-CQSZACIVSA-N 451.386 4.607 10 10 JJCE CC(C)OCCOc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870995519 IHCXRCWMXNQYPW-UHFFFAOYSA-N 464.610 4.569 10 10 JJCE CCN(CC)CCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165488 LEWMILLSCDSVLQ-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c(C)c1 1873427137 DMHTXHXNISONBI-UHFFFAOYSA-N 482.628 4.997 10 10 JJCE Cc1cccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 2293993125 GTUZRWFZWNEVSV-UHFFFAOYSA-N 474.900 4.842 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 2294728329 PBDPUHAHEJKGDX-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE COc1cc(Br)c(Br)c(C=C2SC(c3ccccc3)=NC2=O)c1O 2295494460 YBEGTIQWWOMMRS-UHFFFAOYSA-N 469.154 4.987 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2297345057 MVMQFUFBAAXZMA-UHFFFAOYSA-N 496.614 4.710 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)cc3)C(=O)N(c3ccccc3)C2=S)cc1 2297559035 FLACDBRPEQXRTM-UHFFFAOYSA-N 458.539 4.842 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 2297577744 WVKXGQUZPRVHLP-UHFFFAOYSA-N 462.980 4.587 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1 2313538522 MXMXTAVZXWHKTK-UHFFFAOYSA-N 497.379 4.710 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N12 32945422 VPNCDFRUSVJQIP-ATNGQLTKSA-N 455.521 4.821 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2c1 38732303 UMXVKPSTNHJZLP-QNGOZBTKSA-N 453.633 4.914 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413188 VGJFGQSRRAGQKI-RUZDIDTESA-N 461.949 4.975 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 102995124 USTDIIXFVQLJRU-VUODPORTSA-N 451.573 4.795 10 10 JJCE COc1cc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)ccc1OCc1c(C)noc1C 108898627 GPONJOLHTHIAGJ-UHFFFAOYSA-N 490.604 4.663 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 209559755 OTIYPCNETYBIBF-QNGOZBTKSA-N 456.498 4.639 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3ccccc3OCc3csc(C)n3)CC2)cc1 209667172 HLIDKAFMFCIFGB-JYRVWZFOSA-N 463.603 4.791 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 213177449 HLQBUBJCQKDPMM-UNOMPAQXSA-N 465.600 4.961 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)cc2OC)[C@H]1c1ccc(O)c(O)c1 526330690 TVDNEBJNAKUKNX-DEOSSOPVSA-N 493.512 4.580 10 10 JJCE CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2N2CCOCC2)cc1 526501870 QSJVUUQPROQBAG-SANMLTNESA-N 473.548 4.786 10 10 JJCE Clc1cc(Cl)cc(-c2nnc3ccc(NCc4ccc(N5CCOCC5)cc4)nn23)c1 726967244 KNKGZGPFOCRCDE-UHFFFAOYSA-N 455.349 4.547 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 731401342 MOQQSWPEILXPKO-XMMPIXPASA-N 497.617 4.533 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1OC 1858588039 NIFZFQCBTBIQCM-XNHPLOEXSA-N 457.573 4.901 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CC[C@H](C)C2 1865770621 AKVCLBVXHZDANZ-YJBOKZPZSA-N 468.619 4.912 10 10 JJCE CCC[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839169 MIZALMHLIGRWQO-OSPHWJPCSA-N 486.543 4.703 10 10 JJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1O 1951863928 SXDZWFOPYFPQAG-HSZRJFAPSA-N 476.485 4.991 10 10 JJCE CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294094852 AGILDBFVGWJULL-OAHLLOKOSA-N 456.926 4.809 10 10 JJCE CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 2294253393 MBRWSHBRZOJBAJ-UHFFFAOYSA-N 495.354 4.743 10 10 JJCE CC(C)Oc1ccc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 2297336420 HIGXPLLEJBSNNZ-UHFFFAOYSA-N 452.816 4.812 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 20701874 KUIPQBYSRUHPOM-XOTWJMMUSA-N 495.428 4.983 10 10 JJCE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 23190932 ASSLOZRUXVSSMR-OQKWZONESA-N 498.633 4.751 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCc1ccccc1 34866690 MIYFRUKKNUXXEB-QJOMJCCJSA-N 490.606 4.863 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)cc2Cl)cc1 49589784 LOBGMZACVANQQZ-SPXSAIPKSA-N 469.950 4.973 10 10 JJCE CCCCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310893 QEUIPJPNGNJTHX-RUZDIDTESA-N 486.678 4.931 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1 65023849 HMGSYCJWWLIEPS-UHFFFAOYSA-N 457.622 4.831 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OCC)cc1)C[C@H](c1cccc(OCC)c1O)N2 65298394 ZTCRDAIDCZBYRR-HSZRJFAPSA-N 481.593 4.662 10 10 JJCE biogenic CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 96591841 NIUKNKRNMJZCOU-UVYYMYQDSA-N 458.503 4.627 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1 526159430 YQRDJOVAHXXIMA-VWLOTQADSA-N 475.497 4.715 10 10 JJCE Cc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526389404 QWVBTHZXBWSZFZ-NDEPHWFRSA-N 482.628 4.870 10 10 JJCE CCCCN(C)C(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586708299 KZCFUHXKDPHOAJ-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)o2)ccc1Br 1083988336 MZTQOAAMTVDUCJ-ATVHPVEESA-N 451.276 4.684 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc5ncccc45)c4ccccc34)[C@H]21 1860347480 RFXDEIJIFJQWLI-LJAQVGFWSA-N 487.563 4.975 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)ccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866418879 DGORJQPSCIGOQO-UHFFFAOYSA-N 462.527 4.921 10 10 JJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(O)c(O)c(O)c1 1951591120 HGVBPEHKEUHCIT-OAQYLSRUSA-N 463.486 4.638 10 10 JJCE Cc1cc(C(=O)COC(=O)C=Cc2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCCO2 2042441936 DYMBYPHAAMAKGM-UHFFFAOYSA-N 474.538 4.914 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079036978 AZYOEQIZNSLHDE-CYBMUJFWSA-N 480.224 4.608 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2079845153 QORDUMUBGGCMFF-KRWDZBQOSA-N 471.383 4.594 10 10 JJCE COc1ccc2ccc(OC)c(C=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2c1 2293986863 AVNLTDULNHAISN-UHFFFAOYSA-N 462.527 4.840 10 10 JJCE Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)C2=CNCCc2cnc[nH]2)cc1 2294317193 QTBRYJPNTSDJFD-UHFFFAOYSA-N 474.615 4.539 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2297347530 FDYIMZQSOQDPFO-UHFFFAOYSA-N 467.909 4.565 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3cccnc3)C2=O)c(Br)cc1OC 2297349404 JABLINDELBPREO-UHFFFAOYSA-N 465.394 4.653 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCC(=O)OCCC)C2=O)c2ccccc21 2314760883 MSMXXBPDNOORCK-UHFFFAOYSA-N 460.621 4.528 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)cc1 2321631257 LAUDWTPJPOVFJV-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE CC(C)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Br)ccc1O)N2 9543080 XUMNOAWFUBDHSU-FQEVSTJZSA-N 486.410 4.608 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O 14456931 JJMMWJJJPZLNSW-WZOHSFFVSA-N 454.592 4.838 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 33470602 ASWNOMBCFBZTHC-SDXDJHTJSA-N 456.637 4.831 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33723713 CREJOTXQWFIQJB-BRYHAGSVSA-N 456.637 4.747 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1 35147940 BKASCLKUPRNZSM-MBTIHVDPSA-N 485.569 4.801 10 10 JJCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)ccc1Br 59109222 BMTSRJNKURULKP-FUDBJYBQSA-N 486.366 4.862 10 10 JJCE O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 65096311 NNHBQKAVQWVGNJ-UHFFFAOYSA-N 470.444 4.504 10 10 JJCE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1 102464375 KQTNOYMCMPHZGB-RIHJCCTQSA-N 493.614 4.761 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 213190398 BDYBDXGRAUSAHX-RGEXLXHISA-N 499.589 4.562 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2 250150690 BQQGDZHWSLUCAG-YPCDYVTLSA-N 462.571 4.745 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1F 731363244 ADMNHSCHPZSJHP-HSZRJFAPSA-N 472.992 4.983 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1O 1654569037 AFRAOKXQXCINHJ-XUZZJYLKSA-N 455.913 4.928 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccc(F)cc1 1860747050 QZCUWIXHASJTMZ-UHFFFAOYSA-N 485.493 4.833 10 10 JJCE CCc1sc(NC(=O)[C@@H](N)[C@@H](C)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1865950045 GCRMJIFSXWTYMC-GTNSWQLSSA-N 453.402 4.839 10 10 JJCE CCc1ccc(Nc2nc(=NCc3ccccc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584436 XCPSKUOVBGUFOI-UHFFFAOYSA-N 495.631 4.547 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1F 2297347501 BWYSVESSRNPIKA-UHFFFAOYSA-N 486.297 4.626 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(-c4nc(-c5ccc(F)cc5)no4)c3)CC2)cc1 33279070 QACTWSZJSMKBKJ-UHFFFAOYSA-N 458.493 4.514 10 10 JJCE COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33432017 JXMVFSPUQDATHB-QPVCMDDMSA-N 469.584 4.552 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 33932035 SEVYZBKEPIUCLW-DEDYPNTBSA-N 486.615 4.559 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)C2CCC2)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423659 XALKQAOXOQXTEK-UHFFFAOYSA-N 488.650 4.846 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39835892 BWLWHAPYEYKXDH-QGOAFFKASA-N 451.573 4.715 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705730928 QJXJJRPONLSDLW-JOCHJYFZSA-N 489.542 4.713 10 10 JJCE C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347269 GPJAZTSEXGWIAC-JRPXNJEYSA-N 492.623 4.926 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C=C/c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1862142126 QNCXAQKZAKMEKI-ZOYLIWTNSA-N 490.003 4.568 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1862311117 UTIFCKTUPBGCGC-UHFFFAOYSA-N 480.612 4.937 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868865544 KSKSOADXNQQNFN-UZUQRXQVSA-N 492.447 4.595 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2079005357 KAFVSTOTWFWUNW-MRXNPFEDSA-N 466.319 4.641 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2080047615 HFPAHLSAKNDIEX-INIZCTEOSA-N 490.288 4.924 10 10 JJCE CCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCC2)cc1 2163143285 LBYHBLJXDKHNOD-AREMUKBSSA-N 466.670 4.964 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc4c(cc3Br)OCO4)SC2=S)cc1 2293456913 AIZRLNJNQYYVSQ-UHFFFAOYSA-N 450.335 4.592 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 2296728779 PUKJVUQLNLLGSH-OALUTQOASA-N 458.587 4.927 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 2321663715 CNQSXPIFAOEFIZ-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(C[C@H](C)O)C1=O 2323701752 PTYSPFSYVSZLEI-VIFPVBQESA-N 463.934 4.712 10 10 JJCE COc1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)cc(OC)c3O)C2=O)cc1 2332124689 FMKBDRYRQABFSJ-UHFFFAOYSA-N 471.229 4.520 10 10 JJCE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cccc(Br)c2O)[nH]1 2362656155 XUNMBBZPHBKGHR-HNNXBMFYSA-N 456.406 4.867 10 10 JJCE C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(OC)cc3)c(OC)c2)SC1=S 33430213 JEYHZKWEQFCDGK-JWGURIENSA-N 471.600 4.939 10 10 JJCE O=C(O)CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 33808719 LRJQMJPGKPDOEO-HMMYKYKNSA-N 478.599 4.781 10 10 JJCE CN(C)c1ccc(CN2CCCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)cc1 34682099 CEVABUWGUXLUMO-UHFFFAOYSA-N 480.563 4.782 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 34736449 PTVLNSCWAPLOCX-QURGRASLSA-N 482.627 4.665 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O 96462433 CZTQIITVUHTTTP-LICLKQGHSA-N 480.864 4.863 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)CC1 226748133 MCQFLKVBDSIDTP-ZFGGDYGUSA-N 453.564 4.842 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526372317 JGXOMCRFXCHWNT-SANMLTNESA-N 488.540 4.772 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)NCCc1cc2ccccc2[nH]1 1081155292 ATHVVCQTWFRNQC-DEDYPNTBSA-N 470.019 4.772 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)C1 1741014661 NEYCQKBJAYIDEC-QGZVFWFLSA-N 491.086 4.542 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 1858589152 PARFLMMLGRVHNA-LBSLPOPVSA-N 454.617 4.896 10 10 JJCE Cc1ccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCOCC3)n2)cc1 1859832855 PTAKAXWKGITELL-UHFFFAOYSA-N 476.536 4.808 10 10 JJCE CCC[C@H](NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868710585 GHWQCGWWZPVMRJ-BDYUSTAISA-N 497.655 4.906 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)c1 1873418411 HJNHTVYBEUOTOI-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE O=C(NOCCCNCc1ccc(F)c(F)c1O)OCC1c2ccccc2-c2ccccc21 1937207300 AQOVFMPJBAWDJV-UHFFFAOYSA-N 454.473 4.620 10 10 JJCE COc1cc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc(O)c1O 1952155352 KUINWPRVGJHYDG-INIZCTEOSA-N 477.513 4.594 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079037739 OEQPTODUKSAEFC-CYBMUJFWSA-N 480.224 4.608 10 10 JJCE CCOc1ccc(C=CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 2331530124 BMIFEQACPKTBDX-DEOSSOPVSA-N 451.611 4.517 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F 2332141143 KCPOOCGRYCJCOD-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)c1O 14459700 RWVPUVLNAPGXJR-YDIMBITNSA-N 454.592 4.648 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1 27531773 MBRDIMDIKZEEFJ-SFQUDFHCSA-N 480.405 4.747 10 10 JJCE CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 33436306 KZLMHDUDTJEVCT-RCCKNPSSSA-N 486.615 4.723 10 10 JJCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nccn4nc(-c5ccccc5Cl)cc34)C2)cc1 64959010 VIIQLSVWALBWMG-HXUWFJFHSA-N 489.023 4.649 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 72413683 RBLKBAPGBAVEHE-GOTSBHOMSA-N 472.570 4.530 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1 105263650 FFYFSDHXLSCABP-AREMUKBSSA-N 472.566 4.605 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)cc2OC)[C@@H]1c1ccc(O)c(O)c1 526330691 TVDNEBJNAKUKNX-XMMPIXPASA-N 493.512 4.580 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1125187663 HCVWLJXOIRSRTQ-WZDYWLCFSA-N 451.336 4.515 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(F)cc1 1860655377 OKRHTIWPYZAVTF-AWEZNQCLSA-N 486.487 4.779 10 10 JJCE CC(C)CCOC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826183 CFHUCFOYUGZAJJ-RBYWHNRPSA-N 488.631 4.858 10 10 JJCE CCCC[C@H](NC(=O)c1c(C)ccc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861904413 DOAVJIMGPKZWLP-SANMLTNESA-N 473.617 4.794 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861963230 QUUYAUSQXOYUMW-IBGZPJMESA-N 496.822 4.609 10 10 JJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014015 LLDJJUNQDDJWDM-UZUQRXQVSA-N 496.567 4.560 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 1865666088 CBXSCBACAPTEBG-QPEQYQDCSA-N 455.230 4.507 10 10 JJCE CCCCc1ccc2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866435268 KTMXCKIRRUERSB-HHHXNRCGSA-N 474.649 4.894 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868852136 MXEBMAOVSFYQQM-FTJBHMTQSA-N 483.628 4.598 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1OC 1873425020 YOTMBRKXMYDUQN-UHFFFAOYSA-N 473.573 4.959 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)cc1 1873506448 HWWAYZUXVSKYJM-UHFFFAOYSA-N 477.609 4.769 10 10 JJCE CCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649903 BKFZNCSKODWUAH-UHFFFAOYSA-N 484.604 4.737 10 10 JJCE Cc1cc(C(=O)COC(=O)C=Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(OC(F)F)cc1 2042439607 AWMJWOSARJBVBH-UHFFFAOYSA-N 469.440 4.864 10 10 JJCE CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079939541 PLGDJOSQJRDMNT-SFHVURJKSA-N 468.335 4.685 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)cc1C 2080030366 LTPQXPRMNBYAFX-CQSZACIVSA-N 466.241 4.887 10 10 JJCE Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287600255 ZOAXQKFQSUAOLE-HKUYNNGSSA-N 475.630 4.695 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540716 JLFXVGSQELOSEU-IAGOWNOFSA-N 484.691 4.877 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(CCC(=O)OCCC)C2=O)cc1OCC 2314761080 PCCSVHRZFXVBAK-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323865536 PYQFBNPVEYYUKR-OAHLLOKOSA-N 452.326 4.615 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329495814 UFGVNOOGZINRRH-SFHVURJKSA-N 466.537 4.571 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)cc(Br)c1O 2332110988 VTSZJYJGWJKNRD-UHFFFAOYSA-N 485.256 4.911 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 27501228 RTHXSOWQONIRTR-YBEGLDIGSA-N 487.693 4.522 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1 32964258 QLKIOPFTKQJNLS-FNKNWIJASA-N 455.543 4.852 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 39836062 XNOHCFSIHMUXPA-LDADJPATSA-N 451.573 4.633 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc(Cl)c1O 59861347 TXSNHMVVWGWOIT-WUXMJOGZSA-N 479.714 4.940 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1F 103387286 JMWOGLIGVGOSJM-OEAKJJBVSA-N 462.481 4.518 10 10 JJCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCCCC1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 105493145 MAFIFNZXNFKZMS-VSKRKVRLSA-N 477.944 4.553 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C/C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)c2C)cc1 108599874 MEPXLDGPLZEJMR-LBKOFNPBSA-N 451.592 4.665 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c1 526587327 OGNVWXSZTJTFLQ-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008476 KYTJFWAVJQCQSG-JOCHJYFZSA-N 496.995 4.636 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873164101 MFPKUMSTRUTPTG-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873165604 RDBRHHVIAOKXMZ-UHFFFAOYSA-N 475.564 4.528 10 10 JJCE CC(C)(C)OC(=O)N(CCNCc1cc(Br)cc(F)c1O)OCc1ccccc1 1928093293 ABRWGTCKKJBPDT-UHFFFAOYSA-N 469.351 4.752 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2296709466 UWYIVUWITZGPOP-UHFFFAOYSA-N 468.604 4.681 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)SC2=S)cc1 2297452739 DOEGVIBQDARIFN-UHFFFAOYSA-N 467.524 4.922 10 10 JJCE C[C@@H](C(=O)O)N1C(=O)C(=C2SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2313617648 WSKRUZNUXFQXAF-VIFPVBQESA-N 479.366 4.589 10 10 JJCE O=C(O)CCCCCCCCCCN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)SC1=S 2314646775 NNWYOPSOWBTXAM-UHFFFAOYSA-N 480.652 4.913 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329514693 YRIPKXLPBHPRQO-DEOSSOPVSA-N 480.564 4.961 10 10 JJCE COc1cccc(OCCCn2cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)c1 20236425 IRRZXPOVPGRGKV-NDMCFCFYSA-N 456.502 4.569 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1O 20692690 NSRINMXZOQSNGX-FHAGJXEFSA-N 454.592 4.838 10 10 JJCE CCCCn1cnc2sc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2c1=O 96465623 LSDKJACTWSDHQT-UHFFFAOYSA-N 471.538 4.594 10 10 JJCE COc1ccc(O)c(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)c2cccc(F)c2)[C@H]3OC)c1 208240827 LLNYGEOPRZMDPU-RRPNLBNLSA-N 490.575 4.573 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cc(Cl)cc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526408292 OHIQFBCEDVSELW-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE CC(C)[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 707553339 WVGLZSLQDBPCOF-AREMUKBSSA-N 464.654 4.909 10 10 JJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1C 1083912980 XQMUSWPHFVSVFZ-LFIBNONCSA-N 457.324 4.520 10 10 JJCE CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=S 1084576633 IRTCTMAWLFIIAZ-MHWRWJLKSA-N 451.773 4.759 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1359352678 GOQUECWVGQDCAY-UHFFFAOYSA-N 480.701 4.598 10 10 JJCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CC(C)C)C1 1705930330 KYLNYEGGQQBBBU-HSZRJFAPSA-N 495.693 4.826 10 10 JJCE CCOc1cccc(CNCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O 1860711029 JJUWRRWLVYGDHZ-UHFFFAOYSA-N 450.379 4.947 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc(C)c1-c1ccc(OCC)cc1 1860762394 FHDYQYXJMWCBNO-UHFFFAOYSA-N 480.586 4.596 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C3CCCCC3)s2)sc(C)c1-c1ccc(C)cc1 1860767551 XCNAPUCXAFXUGR-UHFFFAOYSA-N 498.630 4.717 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2OCC)sc(C)c1-c1ccc(OCC)cc1 1860767853 KTQVIZKRFQDUPD-UHFFFAOYSA-N 497.573 4.670 10 10 JJCE CCc1sc(NC(=O)C(C)(C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865995419 CAKVJEUQSBWPOL-UHFFFAOYSA-N 454.342 4.576 10 10 JJCE CCOC(=O)c1c(NC(=O)CNC(=O)c2ccc(N)cc2)sc(C)c1-c1ccc(Cl)cc1 1866102055 XBVLKUXBGZDWCG-UHFFFAOYSA-N 471.966 4.504 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(NC(C)=O)cc3[nH]2)sc(C)c1-c1ccccc1 1866519923 DYXCLHWKZBCHJY-UHFFFAOYSA-N 475.526 4.562 10 10 JJCE CC[C@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866721559 UNWZEHZHSVTGRQ-RPWUZVMVSA-N 480.564 4.879 10 10 JJCE CCC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867112988 JNXCYPUZPPZLQZ-BVZFJXPGSA-N 498.579 4.888 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)OCC2(C)C)n1 1868274557 DTNHTOOQSWBVJC-INIZCTEOSA-N 456.546 4.562 10 10 JJCE CCc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970966 VNYRUUYTNVESDS-UHFFFAOYSA-N 490.652 4.502 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424991 OLQDHFQDLXJXOS-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE CCN[C@@H](c1ccc(N(C)C)cc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268801033 PMUDUGRCQMJQMB-DEOSSOPVSA-N 453.627 4.857 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 2293225760 RYSDPYWIJZHCGV-UHFFFAOYSA-N 461.330 4.706 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCc1ccc(Br)cc1 2293323921 WCGVNPUBVPURCN-UHFFFAOYSA-N 450.379 4.868 10 10 JJCE CC(C)=CCCC(C)=CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819167 SCMMKUFWRJCKPM-SANMLTNESA-N 496.556 4.913 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 2297448110 UDYWTUSKMCDULA-MRXNPFEDSA-N 454.617 4.930 10 10 JJCE Cc1c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccccc1F 2313558220 VWNSHPIBWAZABK-UHFFFAOYSA-N 471.463 4.943 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Br)c1O 2332106995 CGNPEILJHBZKHI-UHFFFAOYSA-N 466.129 4.732 10 10 JJCE CN(CCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)S(=O)(=O)c1cccs1 11967597 LTSHOUQUUIKAAU-SANMLTNESA-N 494.638 4.913 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CNCc2ccccc2)c2ccccc12 13574552 HFIKYBCDMVMSNC-SDEVNZIBSA-N 464.569 4.598 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC 15046566 YDSKSPFTCTZMLU-XACIZNRCSA-N 496.532 4.951 10 10 JJCE O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 18051568 GUUXULAZZXWBPF-BYYHNAKLSA-N 455.499 4.735 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 33422975 QYDINDMAIOZLPT-CPNJWEJPSA-N 475.551 4.790 10 10 JJCE CC(C)c1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1-c1ccccc1 59909327 UVDLSSAMEKQQNY-UHFFFAOYSA-N 482.565 4.897 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)c(Cl)c1 103919988 OSFKAPIOVWKCEX-YBFXNURJSA-N 463.277 4.553 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 727476574 YJFAPIGTWDCHDO-HSZRJFAPSA-N 455.002 4.844 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3Nc3cccc(C)c3C)cc2)CC1 1296399007 GHCPYTTYBHBFPX-UHFFFAOYSA-N 456.590 4.646 10 10 JJCE CC(=O)N1CCN(c2ccc(CNc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 1651824071 BZCQGISIZWLJHU-UHFFFAOYSA-N 456.852 4.548 10 10 JJCE CC[C@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1858135408 REMOVQYZDBRUID-QGZVFWFLSA-N 461.400 4.699 10 10 JJCE CCN1N=C(c2ccccc2)/C(=C/c2cc(Br)cc(Br)c2O)C1=O 1865672861 OCNKIPYDVRNNSD-ZROIWOOFSA-N 450.130 4.567 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873164303 VBNGKUWWGAWGPE-UHFFFAOYSA-N 494.570 4.741 10 10 JJCE CCCOc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1873506423 HKTUCAUBESFYSV-UHFFFAOYSA-N 470.573 4.990 10 10 JJCE CC[C@H](C(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951901136 IJAFVCIBUGTJED-GAJHUEQPSA-N 461.514 4.658 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1ccc(Cl)cc1Cl 2296397908 GQDZRJWHQGRWAD-UHFFFAOYSA-N 458.276 4.649 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540715 JLFXVGSQELOSEU-CALCHBBNSA-N 484.691 4.877 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1cccc(Br)c1 2296808075 PLMHSPJZBSFDQY-UHFFFAOYSA-N 451.367 4.662 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2297321085 IECNLXRLFZOUJH-UHFFFAOYSA-N 466.950 4.859 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc(OC)c1OC 2313503045 GTZNOVQWRYYGEQ-UHFFFAOYSA-N 495.420 4.746 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1F 2313561219 ZJIKGBHVUAAJCR-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O 2313609002 CPALBRCBGKWUNN-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2434632 YNCQCCZTYGCUNE-MBVGAYPFSA-N 462.538 4.752 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1 15043743 CVIJMVMTYWAHFB-CYVLTUHYSA-N 455.561 4.995 10 10 JJCE COc1ccc(C)cc1-n1cccc1/C=C1\C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O 20210916 RVPFWCLVCTYFCZ-OPATVOHWSA-N 485.569 4.801 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 20235860 UYMVSYOUESEZMU-JUWLHOMFSA-N 467.909 4.565 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526274900 YPTKHGYMNMBTPI-JOCHJYFZSA-N 471.868 4.965 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526351696 QRCGYDLYLKCDFK-VWLOTQADSA-N 489.524 4.976 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526371048 ADEZAOFREBDZHP-SANMLTNESA-N 488.540 4.772 10 10 JJCE Oc1nc(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nc2c1cnn2-c1ccccc1 728927464 BOZOMWQGBPBMBW-UHFFFAOYSA-N 471.542 4.561 10 10 JJCE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCSc1nccs1 1705836139 HBKVTLSOZLMMQV-UHFFFAOYSA-N 450.431 4.969 10 10 JJCE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592021 GKOYTPGYEDTHCX-DREKTBMASA-N 464.790 4.653 10 10 JJCE CCc1sc(NC(=O)c2cc(O)c(O)c(O)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865876410 JNWFUOQMNGJMLF-UHFFFAOYSA-N 492.347 4.896 10 10 JJCE COC(=O)c1c(NC(=O)CCCCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866100996 SLMUGRRTVGQQRY-UHFFFAOYSA-N 454.342 4.856 10 10 JJCE CCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868669814 DIMCJEWEFMHQTG-CGOMHOPZSA-N 489.660 4.739 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCc3cccs3)C2=O)cc1 1873163953 DVPGAWAQEITYDJ-UHFFFAOYSA-N 471.582 4.861 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CC(C)C)C2=O)cc1 1873169415 NMZYFYASZWCDEM-UHFFFAOYSA-N 481.600 4.539 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080000857 ZWJNNLFSUBPRSG-SFHVURJKSA-N 486.350 4.747 10 10 JJCE O=C(Nc1cc(Br)c(Br)c(Br)c1)c1ccc(O)c(O)c1 2151780535 QCHNIPYLYCBABS-UHFFFAOYSA-N 465.923 4.638 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 2294199305 PUBJJQRSIDRMTF-UHFFFAOYSA-N 485.279 4.926 10 10 JJCE CCc1ccccc1N1C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)NC1=S 2294229391 PGCNFBLKHXXMBR-UHFFFAOYSA-N 480.387 4.634 10 10 JJCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 2297467784 RPNWBUOTRRCJQR-UHFFFAOYSA-N 454.559 4.719 10 10 JJCE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(N(CC)CC)cc3)SC2=S)cc1 2313501984 QZUUPJBHTVPDTE-UHFFFAOYSA-N 469.632 4.980 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 2313557639 IFSHEZYKCAIHAB-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 2313562584 YCIVZMNGGSSAOS-UHFFFAOYSA-N 491.931 4.729 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2c(O)cccc2Br)[C@H]1C(F)(F)F 2370315603 UGOSFSOYFUDUMY-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2cccc(OCC(=O)O)c2)SC1=S 16926646 YLNUUCVOWJOECM-JXAWBTAJSA-N 465.593 4.557 10 10 JJCE CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S1 33314445 ZEXRBXAKDODSHM-RQZCQDPDSA-N 465.756 4.788 10 10 JJCE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)CC1 35519485 QBECNTFMKYRDKX-BOPFTXTBSA-N 454.404 4.617 10 10 JJCE C/C(NC1CC(C)(C)NC(C)(C)C1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205952112 NIQIYXAWCYLHPX-OQKWZONESA-N 461.566 4.519 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206468830 DHVCHCVTIUCLMF-OQKWZONESA-N 485.627 4.861 10 10 JJCE C[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 382655110 IKPXLOOFQBCSGD-HXUWFJFHSA-N 450.627 4.663 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526364147 ROJHYUBRJRENDO-VWLOTQADSA-N 476.529 4.628 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526506372 LBXPXGXVPNREQQ-SANMLTNESA-N 473.573 4.893 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c(C)s1 1859574784 JOLUQPRFKOURMO-UHFFFAOYSA-N 471.604 4.774 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccc(C)cc1 1860652534 NKXXWWDHJJNWSJ-HXUWFJFHSA-N 477.586 4.704 10 10 JJCE CCCOC(=O)c1cccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)c1 1860749212 YEEXCMZXSAMHFX-UHFFFAOYSA-N 494.569 4.963 10 10 JJCE CC(C)(C)OC(=O)NC1(c2csc(=NCc3cc(Cl)cc(Br)c3O)[nH]2)CC1 2232522378 SHQQTAHHBXOABY-UHFFFAOYSA-N 474.808 4.812 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1Cl 2296397900 GHUUQHVALIMYIM-UHFFFAOYSA-N 463.921 4.731 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2296537563 XRCIGYRXGMHPNP-KRWDZBQOSA-N 490.002 4.948 10 10 JJCE CCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296541861 BHJCOYDHTAIBJM-UHFFFAOYSA-N 464.616 4.535 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296846573 YHLNPDCJYSRAHA-UHFFFAOYSA-N 470.664 4.773 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)o2)cc1Cl 2297345563 HXCTVQSLJWUURS-UHFFFAOYSA-N 490.994 4.556 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)SC1=S 2331594867 LHOHCYDQOHHBHU-UHFFFAOYSA-N 462.543 4.840 10 10 JJCE COc1cc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 20070982 WYEGKJHZVZZVNK-NIYFSFCBSA-N 462.502 4.669 10 10 JJCE CCN1CCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)n2-c2ccc(OC)cc2)CC1 23424991 HHAVUERJZGWLGZ-UHFFFAOYSA-N 451.998 4.903 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 33424319 NHSXCJCPKBJXHH-VKXGLNTFSA-N 482.587 4.572 10 10 JJCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 39989651 OCQXXWBABILKHD-RHTHQAGFSA-N 478.643 4.611 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccccc4O)S3)[C@@H](c3ccccc3O)C2)cc1 54201407 NRJDACDHMUNDBF-ZPZBNPFISA-N 471.538 4.928 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 96450537 KWUYNDJJTUIJRW-SZRLJQQQSA-N 496.614 4.710 10 10 JJCE CCC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 102855876 LTBTVDPLYUMVHW-RZXPCSSPSA-N 467.827 4.509 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1F 211955610 FISOGQCCYHGMBF-CIAFOILYSA-N 498.557 4.846 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 250214763 DEXMDWCHDHHQBO-IPVFLDMMSA-N 491.569 4.948 10 10 JJCE O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3cccc4ccccc34)c(O)ccc2c1 263598147 HOQKGCIZHZIZQS-UHFFFAOYSA-N 458.473 4.607 10 10 JJCE CC(=O)N[C@@H](C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1)C1CCCC1 1357976574 YDDQLSJFDOQMDH-JOCHJYFZSA-N 454.571 4.990 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 1772759688 YULMISQBZKOLEJ-SSLXIERGSA-N 453.545 4.770 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1OCC 1858589325 NLZOLSGZXPVTJS-XSFVSMFZSA-N 458.561 4.836 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(OC(F)(F)F)cc1 1860657361 IKWXSVWNBBMNFZ-UHFFFAOYSA-N 467.669 4.825 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873168475 WMXRKRNKYVCQEF-IBGZPJMESA-N 471.601 4.813 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873168953 REGBBYFBBCZDKJ-UHFFFAOYSA-N 485.632 4.842 10 10 JJCE Oc1c(Br)cccc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079834925 VBYKYDGTLDBESQ-UHFFFAOYSA-N 487.057 4.900 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)cc1C 2080029716 CCUPMOHXWFPOCV-CQSZACIVSA-N 464.225 4.641 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNCc1cc(Br)ccc1O 2194004245 XVMLARMZAUUCNN-MRXNPFEDSA-N 453.402 4.840 10 10 JJCE Oc1c(Br)cc(Cl)cc1CNCCc1cccc(I)c1 2289541519 SLPFKPDCAMYTRP-UHFFFAOYSA-N 466.544 4.745 10 10 JJCE Cc1ccnc(-n2c(C)cc(C=C3NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 2294143785 INNYEIRKVDJMOC-UHFFFAOYSA-N 465.351 4.653 10 10 JJCE Cc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1C 2296020933 IEOPFQKVGUHEFN-UHFFFAOYSA-N 497.551 4.982 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccc(Br)cc1 2296808019 LCTYZGXMNCGCBG-UHFFFAOYSA-N 451.367 4.662 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)cc4C)N=C3C)cc2)cc1 2297451635 NXCLLMMVOBXIRV-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE O=C1C(=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2N1CN1CCCCC1 2313617646 WQMHAQDVHIZSSK-UHFFFAOYSA-N 470.019 4.906 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1O 2314769724 UPJXHQZIWINIOF-MRXNPFEDSA-N 494.388 4.581 10 10 JJCE CC[C@H](C)OC(=O)[C@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945429 RHYYKQRHKSGEGW-GJZGRUSLSA-N 474.604 4.610 10 10 JJCE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C(F)(F)F)cc(OC)c1OC 2332114928 GCBSUMHGHKKBFS-UHFFFAOYSA-N 454.832 4.710 10 10 JJCE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 20759481 WPKZKIAVIHRAQO-VDEVERMRSA-N 456.633 4.692 10 10 JJCE CC(=O)N(c1nc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1)c1ccccc1F 28334682 GXZDAFDCTILGMB-SDNWHVSQSA-N 452.555 4.705 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)CC(C)C)c(OS(C)(=O)=O)c1 37422953 IJMDHIYBPBISCZ-UHFFFAOYSA-N 464.603 4.585 10 10 JJCE C/C(=C1/SC(N2CCN(c3ccccc3F)CC2)=NC1=O)c1ccc(Br)cc1 39870381 HCDWHIKVTNBDJP-RGEXLXHISA-N 460.372 4.771 10 10 JJCE O=C(NN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)c1ccc(Br)cc1 40928646 NAAACYVPPNLLCX-ZROIWOOFSA-N 453.770 4.649 10 10 JJCE CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 1084312755 PKQRJKVQHYJILD-UCQKPKSFSA-N 485.540 4.832 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1Br 1084485885 RNBSCVJLAGBUIR-VBKFSLOCSA-N 498.377 4.827 10 10 JJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@@H](c3ccco3)C2)n1 1868254172 GODFPQISBQWEMF-GOSISDBHSA-N 494.551 4.771 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(Cl)c(C)c3)n4C)CC2)cc1 1873650849 YTSHSVCJLVKWFO-UHFFFAOYSA-N 490.995 4.518 10 10 JJCE CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1873997884 SADQJWFFSGDXOS-MRXNPFEDSA-N 466.493 4.922 10 10 JJCE O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017641 UCZFRZZEZVCRPK-UHFFFAOYSA-N 496.588 4.712 10 10 JJCE CCOc1cccc(C(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)c1 1874736912 AIFWFNKRPBSKIA-UHFFFAOYSA-N 488.584 4.708 10 10 JJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(C)cc3)ncnc21 1875206978 KGTDMJHOEWYZPW-UHFFFAOYSA-N 498.631 4.733 10 10 JJCE Cc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079261201 ZGBLDVJJVCUNQW-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)cc1C 2080035431 FKYBOWABPWLBMK-CYBMUJFWSA-N 480.224 4.527 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)(F)F)c(N)c2I)cc1C 2080047458 FMJSOMSALFIUOU-CYBMUJFWSA-N 453.246 4.657 10 10 JJCE CC(C)(C)OC(=O)N[C@]1([C@H](O)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163096013 VYYPTUYFXVDZKP-LEAFIULHSA-N 465.638 4.880 10 10 JJCE O=C1C[C@@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 2296741743 QDZYAHHBKWDCSG-OAHLLOKOSA-N 463.367 4.527 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2296882393 SGFZMSYVLVUOLX-IBGZPJMESA-N 466.496 4.882 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2C)c(Br)cc1OCC(=O)O 2297505571 DALYITIKOFITFF-UHFFFAOYSA-N 493.741 4.771 10 10 JJCE COc1cc(C=C2C(=O)N(C)N=C2C(F)(F)F)ccc1OC(=O)c1ccc(Cl)cc1Cl 2332133924 QORSQJIAITZSJL-UHFFFAOYSA-N 473.234 4.995 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1 14550777 QBSQICAKDRXVHQ-HFMPRLQTSA-N 453.564 4.986 10 10 JJCE NC(=O)c1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 39869844 FKJDEALBMLERMR-WOJGMQOQSA-N 468.332 4.890 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(Br)cc4)c3)C(=O)N=C2S1 103473279 SMXSWBRHKYGORL-HORDIMCOSA-N 499.390 4.936 10 10 JJCE O=C1/C(=C/NCCCNC2CCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 105960023 GSTQCFJEGUXFEH-DYTRJAOYSA-N 459.619 4.833 10 10 JJCE COc1cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1OC 107980428 OTWINALLWNAGGA-UTCJRWHESA-N 484.902 4.542 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)ccc1C(=O)OC 205940514 LOCHJAMUJJWYFE-KGENOOAVSA-N 492.557 4.758 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnn(CC(C)C)c1C 1705574328 AURSLHZAAMNNNU-UHFFFAOYSA-N 479.632 4.635 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(Cl)cc3)C2=O)cc1 1858590929 OYEOYNMJPUMOTB-DEDYPNTBSA-N 475.035 4.989 10 10 JJCE CNC(=O)COc1cn(CCc2ccc(C)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016114 QLESXRQEEMTXGM-UHFFFAOYSA-N 496.611 4.880 10 10 JJCE CCc1ccc(NS(=O)(=O)C2=NC(c3ccc(C)cc3)=S=C2c2ccc(F)cc2)cc1[N+](=O)[O-] 1871281763 AROWTYHJOSICPB-UHFFFAOYSA-N 497.573 4.891 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccccc4Cl)cc3)CC2)cc1 1874749524 WSTBHVPMMSVJNH-UHFFFAOYSA-N 492.019 4.925 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1Cl 2294124672 UDUSJSDJPNPLLM-UHFFFAOYSA-N 490.899 4.592 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C2=O)cc1 2296398047 PPQZFEOYDWDCST-UHFFFAOYSA-N 479.536 4.949 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314832021 XYPQUQRKFLADGF-UHFFFAOYSA-N 472.563 4.924 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314933738 CXXKGQZWJNHDTF-HNNXBMFYSA-N 457.573 4.960 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 2314934443 HVNAYNIYIOOKTL-OAHLLOKOSA-N 457.573 4.901 10 10 JJCE CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323812481 RVCNNHISEDTMPB-KRWDZBQOSA-N 457.573 4.729 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032832 SAWXJXVYFJHNSD-HYARGMPZSA-N 493.610 4.896 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 210714947 VHWFEFABQWWMKT-CPNJWEJPSA-N 460.552 4.550 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)c1O 1654723131 UOCFGEWWAFYRQG-PZJWPPBQSA-N 462.949 4.880 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCCC1 1705574837 OSOQTWSGHCQZQI-UHFFFAOYSA-N 468.649 4.690 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(C)c4)n(Cc4ccccc4)n3)CC2)cc1 1862333646 BFJQNMNQKZJVIF-UHFFFAOYSA-N 496.611 4.886 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2Oc3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866223893 LVXPTECDLLPVIW-IBGZPJMESA-N 486.343 4.855 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(F)ccc(F)c3[nH]2)sc(C)c1-c1ccccc1 1866498909 FLZHVSZPOWUZPW-UHFFFAOYSA-N 454.454 4.882 10 10 JJCE COc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c(OC)c1 1871287215 KQEZOKFCEFIZBW-SRZZPIQSSA-N 486.615 4.579 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873166797 HRDXOPOFSKWRCU-UHFFFAOYSA-N 496.655 4.837 10 10 JJCE CC(=O)NCCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422250 NGDWEHFGYPNGHG-UHFFFAOYSA-N 492.579 4.575 10 10 JJCE Oc1ccc(Br)cc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079834714 PMEJXGKJXKMSRJ-UHFFFAOYSA-N 487.057 4.900 10 10 JJCE Cc1c(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296700132 AANHEBGVSCOHTO-UHFFFAOYSA-N 486.416 4.653 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2296731193 CCWOZRFXYXLCLB-UHFFFAOYSA-N 457.964 4.751 10 10 JJCE CCCCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC)c1C 2296800801 WURWTJUDTFYEAI-UHFFFAOYSA-N 455.536 4.519 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCCOc1ccccc1 2297347506 CGTODIWQXQCBRD-UHFFFAOYSA-N 467.909 4.647 10 10 JJCE CCCCc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650366 CFIHSDIFJAPFJH-QGZVFWFLSA-N 473.572 4.808 10 10 JJCE COc1cccc(C=C2SC(=S)N(c3ccc(I)cc3)C2=O)c1 2318755952 DSDHEOMUYSPXIK-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCOCC4)=NC3=O)oc12 33905089 QBVGJLLXYAPECW-PXLXIMEGSA-N 486.553 4.597 10 10 JJCE CCOC(=O)c1ccc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OCC)cc1 1860745685 CFPWXNWKJLXWEY-UHFFFAOYSA-N 498.532 4.793 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748504 COJNNXDQUYNLTQ-UHFFFAOYSA-N 482.558 4.721 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)n(-c4ccccn4)n3)CC2)cc1 1862361652 WGWNKPNJOOIVOH-UHFFFAOYSA-N 473.964 4.559 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(C(=O)O)c2I)cc1C 2079992399 CPIZWBXUBRWJHD-GOSISDBHSA-N 466.319 4.775 10 10 JJCE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163096014 VYYPTUYFXVDZKP-LSYYVWMOSA-N 465.638 4.880 10 10 JJCE CN(C)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](C)(CO)c1ccc(N(C)C)cc1 2227143063 GOOGWGUEVOBOTQ-PMERELPUSA-N 487.644 4.773 10 10 JJCE CN(C)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@](C)(CO)c1ccc(N(C)C)cc1 2227143064 GOOGWGUEVOBOTQ-SSEXGKCCSA-N 487.644 4.773 10 10 JJCE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2296397932 ICFSXTHRXAQWLT-UHFFFAOYSA-N 483.499 4.834 10 10 JJCE O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296713482 DOUQKYLTTXTXEA-LLVKDONJSA-N 474.412 4.642 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCCC)C1=O 2314414644 HJXOSPIEDJKKJG-UHFFFAOYSA-N 458.653 4.996 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1805178 XCTMUWMKPHBVIO-MLJKTZRHSA-N 452.351 4.774 10 10 JJCE Nc1ccc(NC(=O)COc2c(Br)cc(Br)cc2Br)cc1 20518879 KYOMSWALCZPTMN-UHFFFAOYSA-N 478.966 4.574 10 10 JJCE Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1Cl 33334152 NQYZSEQVRUQNIZ-DEDYPNTBSA-N 464.905 4.935 10 10 JJCE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 33349119 SFRQAQGHFPXEGZ-AXQYZSHJSA-N 485.363 4.594 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 33417515 ZXUDWYRTTAQJKC-LDADJPATSA-N 462.980 4.587 10 10 JJCE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33796002 WXKDFQDTHWSZRV-SFQUDFHCSA-N 471.007 4.571 10 10 JJCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39989783 RJDDWXWDPRCSMI-FTGDVKAGSA-N 496.658 4.525 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1C[C@H]1CCCO1 59109227 KSPXYCGKTJCTNN-NPBUNYCVSA-N 472.339 4.553 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12 102471240 QWRUTYIIFCCAHA-SILNSSARSA-N 469.570 4.967 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1 103403565 DMXPHDFLFGNAQU-XSFVSMFZSA-N 454.573 4.816 10 10 JJCE CCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)s1 211939523 FOQDEKCVBKZQHK-LFIBNONCSA-N 470.601 4.591 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 248031444 IFRSTIPVVUNLPO-XMMPIXPASA-N 461.631 4.738 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c1 526160033 VWFBPOCICJLSRN-AREMUKBSSA-N 488.540 4.598 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526354391 YETYZVBPHTXUFY-RUZDIDTESA-N 472.541 4.995 10 10 JJCE Cc1ccc(N2C(=O)[C@H](C[C@@H]3SC(=S)N(c4ccc(C)cc4)C3=O)SC2=S)cc1 1616047691 BLUFZBNPFSWDPJ-IRXDYDNUSA-N 458.655 4.860 10 10 JJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873423511 DJAACDSVIPCFEG-UHFFFAOYSA-N 485.584 4.658 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 2053508765 FCFQEKUGYQSJEK-CQSZACIVSA-N 478.573 4.571 10 10 JJCE COCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 2293188335 RVLXAHXWMUYXKB-UHFFFAOYSA-N 473.023 4.955 10 10 JJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1C 2297345123 SUBBPFONSABIHX-UHFFFAOYSA-N 452.561 4.522 10 10 JJCE CN1CCN(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)CC1 2314487311 HRAMWQQXOIKASW-UHFFFAOYSA-N 454.404 4.617 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)SC1=S 2314767475 HBRYDJNDDJNLNZ-UHFFFAOYSA-N 478.389 4.704 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(Cl)c(Cl)c3)C2=O)c1 2320656217 SZTAGQJHQJFQRV-UHFFFAOYSA-N 467.399 4.633 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)c1OC 33317047 YBFUWZQEUYRXEH-SXGWCWSVSA-N 459.296 4.590 10 10 JJCE Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 34258225 CTZPUGZRBWFPPO-CJLVFECKSA-N 493.357 4.677 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4cccnc4)S3)[C@@H](c3ccc(OC)cc3)C2)cc1 54201467 YJNZDUMLURBCKI-UOAMGUFGSA-N 470.554 4.920 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccc(O)c(O)c1 526408986 UUZKIRPNVWNBMD-QHCPKHFHSA-N 463.486 4.571 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526561354 HPQNBIMBQKEZDN-QHCPKHFHSA-N 495.915 4.612 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1OC 1858594161 NQCOUYOUQPWDHA-KWJZBXMYSA-N 472.632 4.607 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(Cl)n2)sc(C)c1-c1ccc(F)cc1 1860746803 FNMSOABLDJFTGE-UHFFFAOYSA-N 461.902 4.665 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3cccc(C(C)(C)C)c3n2)c2nccn2C)cc1 1866517368 PYFIFIZNNSNNCW-QHCPKHFHSA-N 457.578 4.557 10 10 JJCE CCc1ccc(COc2cn(CC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870464080 TXVSCBTUZZJWLB-UHFFFAOYSA-N 489.660 4.977 10 10 JJCE CCCCC[C@H](CC)N1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164661 LONVVRSICNFTKL-QHCPKHFHSA-N 464.654 4.684 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873418373 FUXLSKPLGSQFEF-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cc([N+](=O)[O-])ccc1O 1952829526 MLCMAOJLDDEUAN-RDPSFJRHSA-N 474.469 4.697 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079875092 OMRPOYHLLLSLRZ-HNNXBMFYSA-N 459.287 4.864 10 10 JJCE CCN[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2090038400 WXEJMPKBZZGKMQ-QHCPKHFHSA-N 453.627 4.992 10 10 JJCE CC[C@H](NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2161551633 YRPQOYSGLUOCMM-FZMZJTMJSA-N 455.315 4.899 10 10 JJCE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNCc2cc(Cl)cc(Br)c2O)CC1 2163265081 VMRXYROJXYAGRU-INIZCTEOSA-N 465.791 4.883 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)C(C)(C)CC3)ccc(N)c2C1 2239859189 VKSDWZJRVUSGMS-UHFFFAOYSA-N 474.646 4.788 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2296835641 DXTUISJJJQVOHB-SFHVURJKSA-N 480.523 4.752 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2297480321 NZIYOTQDTWFMTF-SFHVURJKSA-N 480.523 4.752 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 2313559263 VDFFELYSJYEADH-UHFFFAOYSA-N 494.519 4.774 10 10 JJCE CC[C@](C)(NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330537564 AJMSPJVKJNBETD-VWLOTQADSA-N 490.431 4.649 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(Cl)cc4)n4c3CCCCC4)CC2)cc1 8591321 AOKXIDRVJOGTNA-UHFFFAOYSA-N 464.997 4.901 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 8911342 WZUOTYFZVYHCBD-GHFCYRQVSA-N 454.486 4.811 10 10 JJCE CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15044497 GCWMLYVVJWRKPB-STZFKDTASA-N 486.615 4.897 10 10 JJCE N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 20356224 GKUZUBFSEIETHE-WQCWKDQBSA-N 457.968 4.757 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc(Br)c1OC 35211378 GJZJVPHNDRYXTH-CXUHLZMHSA-N 465.394 4.653 10 10 JJCE COc1ccc(N2CCN(C(=O)CCCc3c(-c4ccccn4)[nH]c4ccccc34)CC2)cc1 39846544 VDIQJZBNYUGRAX-UHFFFAOYSA-N 454.574 4.910 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)c3ccco3)CC2)cc1 49486433 KXALYBFVCHAQNO-JOCHJYFZSA-N 474.388 4.888 10 10 JJCE COc1ccc(O)c([C@@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1 64567432 ZRUOAZTUNHPFPY-DEOSSOPVSA-N 497.345 4.981 10 10 JJCE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nccn4nc(-c5ccccc5Cl)cc34)C2)cc1 64959012 VIIQLSVWALBWMG-FQEVSTJZSA-N 489.023 4.649 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccc(OCCC(=O)O)cc2)SC1=S 210501710 BBOYJRLUNKFHCL-KNTRCKAVSA-N 479.620 4.947 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 214757970 PXZPIQNFNOEADY-XMHGGMMESA-N 499.570 4.693 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226644461 GYLJOGKKEFABSV-IPVFLDMMSA-N 479.621 4.611 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526226698 KJQRWGOZIVGFPI-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 526478638 HPNLIOBIEPMRFP-OAQYLSRUSA-N 451.862 4.595 10 10 JJCE CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 731403605 PSYVFOMZZRTHBN-AABGKKOBSA-N 457.590 4.611 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(CS(C)(=O)=O)o2)sc(C)c1-c1ccc(C)c(C)c1 1865786388 NPEYPNSJDWBJQO-UHFFFAOYSA-N 461.561 4.517 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868834420 CPEWZAGFLSQQNP-JWQCQUIFSA-N 486.056 4.866 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164218 REBOIRZYPHMHOJ-UHFFFAOYSA-N 496.655 4.840 10 10 JJCE CCN[C@@H](c1ccc(N(C)C)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2106851222 QXZYQXYLDAVHOK-RPLLCQBOSA-N 452.643 4.573 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2293520663 ASFCABRHBNMMPA-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CC(C)(C)c1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2296136094 PWQRSJIIJWOTIR-UHFFFAOYSA-N 475.520 4.670 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4cccc(C)c4)cc3)C(=O)N=C2S1 2297334424 AACORDGRQCFNLJ-UHFFFAOYSA-N 492.601 4.889 10 10 JJCE Cc1ccccc1N1C(=O)C(=Cc2cc(Br)ccc2OS(C)(=O)=O)SC1=S 2297356981 PJQYBKQDQQUINA-UHFFFAOYSA-N 484.418 4.502 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NC3CCC(C)CC3)nc12 2314414183 RPOCDIRGZDNIAI-UHFFFAOYSA-N 494.642 4.988 10 10 JJCE COCCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 2314507927 NBLYVNJDWPUQLO-UHFFFAOYSA-N 495.626 4.650 10 10 JJCE CCOC(=O)c1cnc(Sc2cc(I)ccc2Br)s1 2338305132 CWYIAPGCEOSXGB-UHFFFAOYSA-N 470.151 4.838 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14471267 JWXUZIZOLGATRW-LZNNFJEDSA-N 489.981 4.532 10 10 JJCE O=C1C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 15050893 XQZXUKMSINVUKX-CRNMQVKPSA-N 496.919 4.892 10 10 JJCE CCn1c(N2CCCC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 39989650 OCQXXWBABILKHD-XESZTULISA-N 478.643 4.611 10 10 JJCE CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C 101391558 OMZKSYWJFZEWLS-VCHYOVAHSA-N 477.742 4.851 10 10 JJCE Cc1cc(C)c2c(c1)S[C@H](NC(=O)CN1C(=O)/C(=C/c3ccccc3Cl)SC1=S)N2 103040476 ZJNVFRKISTXNJI-SIBGDRKGSA-N 476.048 4.776 10 10 JJCE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705746289 RUPRHHOSORTSAG-LJQANCHMSA-N 465.907 4.873 10 10 JJCE CC(C)C[C@H](C(=O)N1CCn2c3c(c4ccccc42)CCC[C@H]31)N1C(=O)c2ccccc2C1=O 1858183500 FTCOQVZVRDBHSV-DNQXCXABSA-N 455.558 4.572 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc(Br)c1OC(C)C 1865671572 IYAKKMQGSZOBLI-JYRVWZFOSA-N 484.272 4.988 10 10 JJCE Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867332105 JTHFJJDZBQOHQY-FQLXRVMXSA-N 498.671 4.876 10 10 JJCE Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867825860 ZSUBSTMVSOCOOG-WDYNHAJCSA-N 498.671 4.876 10 10 JJCE CCOC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1871287264 NDRFFKJBWZNUIM-FYJGNVAPSA-N 498.626 4.738 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873164073 KTRBZZNOPLOQAX-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1C 1873421050 DKJTXJJAZNKAEH-UHFFFAOYSA-N 470.617 4.855 10 10 JJCE CC(=O)N(c1nc(C=C2SC(=S)N(CCCN(C)C)C2=O)cs1)c1cccc(C)c1C 2040496010 NITONQMUHBBUGW-UHFFFAOYSA-N 474.677 4.597 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NCc1cc(Cl)cc(Br)c1O 2169565982 ZQIIRIPRXGIKPI-AHQUFDAQSA-N 457.796 4.542 10 10 JJCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2180814618 XWLSCNSENHMSJT-CCLHPLFOSA-N 468.594 4.756 10 10 JJCE Cc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2293990265 LPSIOLZZDJSMHY-UHFFFAOYSA-N 494.504 4.816 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2294199234 HEYFDNQWMDTPNM-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1nccs1 2295924292 RBCCRQJSLYKDLI-UHFFFAOYSA-N 468.423 4.526 10 10 JJCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296717923 NIWDLKDUEOIFOW-CALCHBBNSA-N 482.675 4.711 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccc(C)cc1 2314736174 YLOKYUSRNQSIJX-UHFFFAOYSA-N 491.594 4.524 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)SC1=S 2314926256 DZTWUTFUMRYXJX-UHFFFAOYSA-N 452.554 4.707 10 10 JJCE Cc1cc(I)ccc1N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2321721500 RYKRVEJNFYFPMU-UHFFFAOYSA-N 453.326 4.711 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2323809262 RNDHTQIMILSHKN-HNNXBMFYSA-N 454.356 4.596 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14473537 FWUMVHNYNMJDQU-DWKCODDLSA-N 453.926 4.984 10 10 JJCE Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)C(=O)N=C3S2)c1 15227580 SZSILYZFYQIOMG-CYPXAJCBSA-N 457.471 4.831 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 20236243 QCIFLVRXNREMNS-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE COc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N2CCOCC2)cc1OC 20496360 AWWLIOVLWIWUQV-UHFFFAOYSA-N 460.889 4.845 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)OC 33337774 LYCYJYJJWOCAST-NVMNQCDNSA-N 481.954 4.835 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Sc3ccccc3)nc12 33534338 BXMAJOFIWHGJLQ-HUCUOGIVSA-N 495.651 4.534 10 10 JJCE CCNC(=O)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)[C@H](C)CC 37422924 VVKHOVYVBPJJJD-LJQANCHMSA-N 491.654 4.639 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)sc2c1 39875056 ITDXKHAPESQWHX-WJDWOHSUSA-N 475.642 4.987 10 10 JJCE CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 109468654 HLUXFCYWUWLIBG-UHFFFAOYSA-N 460.416 4.577 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526351858 VNDXLLIZVZOCMB-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 526631843 HZEGFVZXPKYAQC-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE O=C(CC1CCCC1)N1CCCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 730816723 DWXPPVJGIFGOME-RUZDIDTESA-N 487.604 4.849 10 10 JJCE COc1ccc(N2CCN(Cn3nc(-c4ccco4)n(C4CCCCC4)c3=S)CC2)cc1 798151191 CUZNCPIOPKAIIB-UHFFFAOYSA-N 453.612 4.968 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O 1772759390 GTTYXBORWFERTG-MJDDCBMWSA-N 452.557 4.560 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(COc4ccc(Cl)cc4)n4ccccc34)CC2)cc1 1858337041 NGIQIZZJFPTJFP-UHFFFAOYSA-N 476.964 4.538 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccccc2C(=O)O)cc1 1865673865 BFUNQHIARYSSPR-KGENOOAVSA-N 477.314 4.990 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2)sc2c1CC[C@@H](C)C2 1865770618 AKVCLBVXHZDANZ-CRAIPNDOSA-N 468.619 4.912 10 10 JJCE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867981065 AYPARVIIEGVUEV-UHFFFAOYSA-N 496.055 4.731 10 10 JJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)ccc3[C@H]2C)n1 1869218111 TXAUWOGDPWTSEP-OAQYLSRUSA-N 487.648 4.897 10 10 JJCE CC(C)OC(=O)c1ccc(CNC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872742770 AQHDDOSWOAVOHE-UHFFFAOYSA-N 456.546 4.791 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cc(Br)ccc1O 1951726043 AOPIUYNKNHMVGI-XMMPIXPASA-N 482.330 4.993 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498113 CLCKAGPWDOLDGI-UHFFFAOYSA-N 478.643 4.659 10 10 JJCE CCN[C@H](c1ccc(N2CCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163159696 CXTDHOAPIWFCAH-IZZNHLLZSA-N 466.670 4.963 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 2296550372 JYKILYPXHAUAAL-UHFFFAOYSA-N 480.387 4.688 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 2296583798 NFXXSEUATYBIKE-UHFFFAOYSA-N 467.890 4.648 10 10 JJCE CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296714230 LNYYHSWNALFQSI-UHFFFAOYSA-N 473.417 4.977 10 10 JJCE CCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21 2296714372 QFYKKZKYIUAHEM-UHFFFAOYSA-N 451.411 4.720 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1 2297469893 JXYHUSRHFQAFJK-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE O=C1C[C@@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 2314832335 FNOAYGKKBUKBJS-OAHLLOKOSA-N 496.919 4.892 10 10 JJCE CN(C)CCCNc1cc(N2CCN(C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 8603430 AENKLECMPIDNQO-UHFFFAOYSA-N 487.648 4.858 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCC)C2=O)cc1OCC 40938769 CNJVWCGYSDDYGJ-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE CSc1nnc(-c2ccccc2N/C=C2/C(=O)N(c3ccc4ccccc4c3)N=C2C)c(O)n1 103711961 OZFBMXRUMUTYOE-XSFVSMFZSA-N 468.542 4.838 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526236550 NMPXCDHYWLKKAH-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526291198 BVTABBUNQVHNNL-DEOSSOPVSA-N 477.513 4.961 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 1859573368 HTCISNZSKJJGNF-UHFFFAOYSA-N 463.968 4.503 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865028414 UMFOGVXOUZFDOB-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE CCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867405029 RRWUPYNMWCGSRW-LOSJGSFVSA-N 485.072 4.648 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccccc3)CC2)cc1 1870611710 WOGVDVWEAGBJFN-UHFFFAOYSA-N 473.617 4.572 10 10 JJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873420290 XUVKMTKKMUKLLO-VWLOTQADSA-N 483.568 4.668 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@]1(C)CNC(=O)OC(C)(C)C 2163172111 NBAIXPXSXZOROZ-QLXKLKPCSA-N 474.646 4.549 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2293188316 JGPQYLCSKFCSSL-UHFFFAOYSA-N 492.454 4.985 10 10 JJCE N=C1C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 2293488674 LIYWGROEKWCGPQ-UHFFFAOYSA-N 462.512 4.568 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2293559202 OAESRWZQBCWASH-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)o1 2313553247 XSNWZBMYMMEDPH-UHFFFAOYSA-N 459.458 4.646 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314769877 WLTLHAZERDOICU-KRWDZBQOSA-N 462.390 4.955 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CCN(C)C)C1=O 2323839474 SHZKPMDPSQFPNK-UHFFFAOYSA-N 476.977 4.893 10 10 JJCE CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2264532 AAEKODKPPAKIEC-CYXNTTPDSA-N 479.532 4.692 10 10 JJCE Cc1cccc(-n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1C 18248151 HGUAIRHWTFHOFI-UHFFFAOYSA-N 486.641 4.819 10 10 JJCE COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C 33741684 SNXHGCDEWDFDOL-WOJGMQOQSA-N 463.361 4.720 10 10 JJCE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)c(OS(C)(=O)=O)c1 37422555 UASZWUGUPBVXBX-UHFFFAOYSA-N 479.618 4.521 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1cccc(OCC)c1O)N2 48990333 DKDNVVGZGXIIHX-NRFANRHFSA-N 471.985 4.917 10 10 JJCE biogenic CN(C)c1ccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5F)CC4)c3c2)cc1 65002420 JMUHYPRMNKAPRG-UHFFFAOYSA-N 483.591 4.697 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccc(C)cc1 206292610 NNGKRCWSKDEVOL-LPYMAVHISA-N 491.594 4.524 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526188247 PDXGOUZIADCBJP-HSZRJFAPSA-N 463.486 4.571 10 10 JJCE CCCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(CC)cc1 586263616 IJCKNQAXJPLYOD-UHFFFAOYSA-N 461.539 4.546 10 10 JJCE COc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCCC1 920870414 FFCHURFRIXARFR-VQTJNVASSA-N 467.610 4.975 10 10 JJCE CC(C)(C)C(=O)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858890571 AUWRYAHMHROBQK-UHFFFAOYSA-N 456.498 4.735 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864006977 BZFRAVZMEZSGMT-DVECYGJZSA-N 490.604 4.762 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677561 QIKJOWGGAFANAD-CJLVFECKSA-N 463.578 4.837 10 10 JJCE COC(=O)c1c(NC(=O)/C=C/c2cnc(OC)nc2)sc(C)c1-c1ccc(Br)cc1 1866150187 DAOGAWRFIIPSIZ-RUDMXATFSA-N 488.363 4.723 10 10 JJCE CCCOC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234666 GJCYXAWHDAMLCX-UHFFFAOYSA-N 498.583 4.979 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC(=O)N(c4ccc5ccccc5c4)C3)cccc21 1871278952 DBYPRIGYWPEPSJ-IBGZPJMESA-N 460.489 4.607 10 10 JJCE CC[C@H](C)OC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872957815 IFQOTUPUTGVTMB-SFHVURJKSA-N 458.514 4.892 10 10 JJCE CCCCOC(=O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1873995885 HHBMOSDWYRJVOR-UHFFFAOYSA-N 466.493 4.924 10 10 JJCE COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 1892000315 DDWDAIAEIBSVQR-UHFFFAOYSA-N 473.359 4.713 10 10 JJCE O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)c1 1892149053 LODFEPUVTAZAJD-FPOVZHCZSA-N 479.558 4.854 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2079853108 CWXSHBDRGLCRGX-KRWDZBQOSA-N 468.335 4.701 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2106858124 SKOODJIVBLCYSQ-QTLGCAHFSA-N 453.627 4.828 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 2293039489 CHHVAXOEXIITSU-UHFFFAOYSA-N 454.573 4.785 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348159 NODOJWWLLVBXGE-UHFFFAOYSA-N 487.497 4.839 10 10 JJCE CC1CCN(C(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)CC1 2314487485 RGNNNWOTEOJWCN-UHFFFAOYSA-N 458.649 4.858 10 10 JJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(CCCCCCCCCC(=O)O)C1=O)C(=O)O 2314926370 HUCXZZZYCUQESK-INIZCTEOSA-N 479.620 4.945 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 2314934027 XRGRNYDBPXPWGR-UHFFFAOYSA-N 486.615 4.801 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)N(C)C)cc1 2323879894 OGAINVYPIFIGMK-MRXNPFEDSA-N 493.079 4.870 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147468 FZAOADYXDVXLSF-UHFFFAOYSA-N 478.932 4.902 10 10 JJCE Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 27808447 VBGMCDGUWZNNEZ-GOSISDBHSA-N 453.608 4.698 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751719 FCZHDRKQXWBPEM-MOSHPQCFSA-N 494.642 4.625 10 10 JJCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 54201755 VZXCZFGJSDYAEB-RPBOFIJWSA-N 497.624 4.931 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526351695 QRCGYDLYLKCDFK-RUZDIDTESA-N 489.524 4.976 10 10 JJCE CC(C)Oc1ccc(S(=O)(=O)N(c2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 586256304 GKRGOHKIRJMWPW-UHFFFAOYSA-N 463.555 4.853 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(C)C)CC1 1705730548 LCICXZJMIQPGHR-UHFFFAOYSA-N 476.669 4.912 10 10 JJCE CC[C@@H](Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)OC(C)C 1858851541 VVRGJPCDXFCLML-HXUWFJFHSA-N 487.512 4.610 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3cccc(Br)c3)cc2)c1 1860854644 DGUALWYDEOWKCB-UHFFFAOYSA-N 452.352 4.697 10 10 JJCE CC[C@](C)(NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867897033 PMAQKGFTNPJJGT-WNJJXGMVSA-N 478.681 4.611 10 10 JJCE COc1ccc(OCc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)o2)cc1 1871278950 DAHNUQMORVSZNW-UHFFFAOYSA-N 453.450 4.895 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5cc(C)ccc5C)[nH]c4c3)CC2)cc1 1872798025 FESQNBLQQZKCAK-UHFFFAOYSA-N 454.574 4.742 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCC(C)C)ncnc4n3Cc3ccccc3)CC2)cc1 1875214461 UEEWKVMEWGEYNI-UHFFFAOYSA-N 498.631 4.519 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2080008707 UWWOCWLUGDRPFO-INIZCTEOSA-N 468.335 4.805 10 10 JJCE CC(C)(C)OC(=O)NCCC1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163170431 WXVZKGJKSWUBKJ-UHFFFAOYSA-N 474.646 4.693 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@]1(C)CNC(=O)OC(C)(C)C 2163172113 NBAIXPXSXZOROZ-WGDIFIGCSA-N 474.646 4.549 10 10 JJCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2241049226 LEIAZJCNOAEIOP-GQGQLFGLSA-N 459.812 4.980 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3C(C)C)C2=O)cc1 2296103151 RSMNMIXWGXUVOX-UHFFFAOYSA-N 471.557 4.919 10 10 JJCE CCN(CC)c1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2296690831 YAMAFBOJZPWZNU-UHFFFAOYSA-N 455.027 4.979 10 10 JJCE COCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)cc2)SC1=S 2296701605 JXMVFSPUQDATHB-UHFFFAOYSA-N 469.584 4.552 10 10 JJCE COc1ccc(OCCOc2cccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1 2297310410 SIJUSHRRTVREQX-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3cccc(Br)c3)cc2)SC1=S 2314769243 OWMPCCNBONJUCK-UHFFFAOYSA-N 478.389 4.704 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)cc1 2323733442 NQCYWGNEQIAUQP-UHFFFAOYSA-N 480.405 4.616 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1OCC 2323770187 LONQUUHPFJSGRM-UHFFFAOYSA-N 456.633 4.994 10 10 JJCE CCN1CCN(c2cc(Nc3ccc4c(c3)OCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741964 ITRNQICETVUUBL-UHFFFAOYSA-N 468.513 4.653 10 10 JJCE CCCCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C 10013172 ZNBGCLHTVOWRCZ-UHFFFAOYSA-N 467.639 4.597 10 10 JJCE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cs1)c1cccc(C)c1C 12863034 GUKNROSAJZLPOY-YVLHZVERSA-N 475.617 4.511 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468502 QEFIMCBGTKFIDD-WOVHNISZSA-N 482.602 4.622 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 14475669 VPXPDMLFLDXHQE-IPVFLDMMSA-N 491.569 4.648 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2)c1 20071335 UFKCRTAIPXIATK-FQRUVTKNSA-N 462.502 4.669 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1/SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 96577890 ZQVVEGPXOYZNGS-HZHRSRAPSA-N 452.576 4.637 10 10 JJCE COCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 98002425 VSRPYEVMNIFSSX-WQRHYEAKSA-N 461.634 4.682 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 104023748 MFATVWKLGYOUHB-XYGWBWBKSA-N 490.585 4.831 10 10 JJCE CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 1083866624 KKWLRTSEIYWGHD-CPNJWEJPSA-N 465.303 4.667 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1OC 1084278541 JYPOZIDQMZPNAR-BOPFTXTBSA-N 495.329 4.676 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C=C(C)C)C2)sc(C)c1-c1ccc(C)cc1 1860660174 NNPVRUCYIDUENS-LJQANCHMSA-N 454.592 4.962 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(NC(C)=O)ccc3c2=O)sc(C)c1-c1ccccc1 1866438088 ORWRFMJDCZEATB-UHFFFAOYSA-N 475.526 4.562 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCc5ccc(N6CCCC6)cc54)nc(C)n3)CC2)cc1 1869295198 AIMPPFMRZWMYMA-UHFFFAOYSA-N 484.648 4.805 10 10 JJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873170324 VNRPTYRABKRRRJ-UHFFFAOYSA-N 452.558 4.508 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420227 KQBKPWGJXZTZKY-UHFFFAOYSA-N 461.537 4.850 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873420352 ZIWOSIRPWWVRKC-RUZDIDTESA-N 485.584 4.864 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(F)cc4F)c3)CC2)cc1 1874729154 HHFDQJYUMIILFE-UHFFFAOYSA-N 479.527 4.621 10 10 JJCE CCCCCCC(=O)Nc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874757013 CCNJKOSBPBHXNS-UHFFFAOYSA-N 451.611 4.999 10 10 JJCE COc1cc(Cl)cc(CNCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1O 1960170607 HDSBEGYUZJJKBZ-UHFFFAOYSA-N 452.938 4.683 10 10 JJCE CC1(c2nn(Cc3cc(Br)ccc3O)c(I)c2C(F)F)CC1 2079754041 UREZTSDWGAEZMU-UHFFFAOYSA-N 483.094 4.993 10 10 JJCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C(=O)O)c2Br)C(C)(C)C)c(O)c1 2079846921 KXXCAPOHSSPLHC-CYBMUJFWSA-N 451.239 4.712 10 10 JJCE CN[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCCC2)cc1 2163151083 DAYGDYZLLWIHSZ-SANMLTNESA-N 466.670 4.964 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2296056473 RBAMYZNSAQDGCG-UHFFFAOYSA-N 473.945 4.981 10 10 JJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 2297315361 RMOGKOXPAXDADB-UHFFFAOYSA-N 471.347 4.902 10 10 JJCE CCN(CC)C(=O)[C@@H](C(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580071 LADXTTAIAHTFBH-MRXNPFEDSA-N 455.443 4.543 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 2313553236 VYGNYYWMQMTICS-UHFFFAOYSA-N 493.357 4.976 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](C)C(=O)O)C3=O)o2)c(Br)c1 2314650582 POOLOJHEMPHRDW-SNVBAGLBSA-N 452.351 4.692 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 33315683 HIJZPSZIQHTSLK-IHRLJDSVSA-N 476.489 4.674 10 10 JJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33556197 MSZBZTNHJAIZSV-XSFVSMFZSA-N 493.610 4.948 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)SC1=S 206864856 JQFGUZBBIWWGKH-RGEXLXHISA-N 451.610 4.665 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 210696083 YSABZXJGTKBLLP-MHWRWJLKSA-N 452.479 4.641 10 10 JJCE COc1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1084415925 CWQDSPYELVPGGI-BOPFTXTBSA-N 472.353 4.624 10 10 JJCE Nc1ccc(OC(=O)Nc2ncccc2OCCC(=O)c2ccc(Br)cc2)cc1 1858693940 IIBDFAAFYZAGTM-UHFFFAOYSA-N 456.296 4.689 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cc2F)sc(C)c1-c1ccc(F)cc1 1860747148 WVTGEELZDUJENX-UHFFFAOYSA-N 462.449 4.895 10 10 JJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665802 MQVOXXAMMMQITH-HAVVHWLPSA-N 498.023 4.642 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4ccccc4C)n3)CC2)cc1 1869159551 UXHCDRZONNGTMX-OAQYLSRUSA-N 495.631 4.634 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873164156 OTSVCVGKJADENW-UHFFFAOYSA-N 469.516 4.896 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424228 MIEDCQXXLGRFML-QGZVFWFLSA-N 471.557 4.871 10 10 JJCE CCc1nn(Cc2cc(Br)ccc2O)c(I)c1C1CCC1 2079673462 ACMOTHALXKJKEH-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(N)c2I)C(C)(C)C)c(O)c1 2079855528 OBFXVAHITVFGBB-MRXNPFEDSA-N 457.356 4.717 10 10 JJCE CCN(CC)c1ccc([C@H](N)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106860209 ATJVJMKOMDUJHP-RPLLCQBOSA-N 452.643 4.702 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 2297307159 LNBROZFKIXKJAN-UHFFFAOYSA-N 492.601 4.889 10 10 JJCE O=C(O)c1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2323852203 RMNMUVUQWNDIPO-UHFFFAOYSA-N 452.326 4.688 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C=Cc3cccc(Cl)c3)c3ccccc3)CC2)cc1 2330354659 QNCXAQKZAKMEKI-MHZLTWQESA-N 490.003 4.568 10 10 JJCE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cc(Br)ccc2F)cc1 2332129762 KZZKAKZAUSMIIQ-UHFFFAOYSA-N 452.283 4.826 10 10 JJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141410 UESNVIBBAUGIRW-UHFFFAOYSA-N 491.887 4.863 10 10 JJCE COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 6581408 OVCZWKCRZMKEFB-LDADJPATSA-N 464.406 4.876 10 10 JJCE Cc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 33333320 SFRAROVBRVKZJH-JAIQZWGSSA-N 477.904 4.948 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33351723 BOLHRSXXEYEYLL-WOJGMQOQSA-N 485.034 4.817 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C[C@@H](O)COc2ccccc2Br)cc1 40316984 GZODQSKSUUALRV-HXUWFJFHSA-N 459.384 4.550 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1 526159429 YQRDJOVAHXXIMA-RUZDIDTESA-N 475.497 4.715 10 10 JJCE CCCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OCC)cc1 586254143 NOGPOJMPPKSIOC-UHFFFAOYSA-N 463.555 4.856 10 10 JJCE COc1ccc(N2CCN(c3nc(C)c(Cc4ccc(Cl)c(Cl)c4)c(O)n3)CC2)cc1 1858509645 QQFMLUPSISLAOD-UHFFFAOYSA-N 459.377 4.723 10 10 JJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679569 UESNVIBBAUGIRW-RGVLZGJSSA-N 491.887 4.863 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(F)c(C)c3)C(C)C)C(C)C)CC2)cc1 1868710790 HMTVCPXVYLIOIT-LBNVMWSVSA-N 497.655 4.762 10 10 JJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1890314093 TXRZHHDUDYPOMF-AVRDEDQJSA-N 458.528 4.622 10 10 JJCE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC=C1C(=O)N(c2ccccc2)N=C1C 2040470111 FDIATPXKEPTYMM-UHFFFAOYSA-N 456.502 4.675 10 10 JJCE CCCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)SC1=S 2042448472 QUGSCORLQJUNRU-UHFFFAOYSA-N 457.573 4.672 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080008629 UISIOMZVBGUORN-QGZVFWFLSA-N 484.334 4.501 10 10 JJCE COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 2296303775 BRIKUOQNOPGUIR-UHFFFAOYSA-N 465.962 4.587 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccccc1[N+](=O)[O-] 2296756186 IYTURJZLRVHXMF-UHFFFAOYSA-N 461.952 4.868 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348188 QPMZLKOBPOZGIP-UHFFFAOYSA-N 485.547 4.829 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 2297415363 KATZXUVMHFTSOJ-AREMUKBSSA-N 491.569 4.779 10 10 JJCE CCOC(=O)C=C(C)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(Br)ccc1O 2297511105 AZNYBBYHTYYUBB-FQEVSTJZSA-N 459.340 4.781 10 10 JJCE CC[C@H](C(=O)OCC(C)C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945452 YTXXLDWDVHKDQP-GOSISDBHSA-N 488.631 4.858 10 10 JJCE COC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S 1281921 DJRPJSJRILXYBN-QGMBQPNBSA-N 498.409 4.955 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccccc3Br)C2=O)c(C(=O)O)c1OC 16906172 XIBVTDVTMRVKMM-NTEUORMPSA-N 480.361 4.570 10 10 JJCE CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(Cl)ccc21 24713610 UHKMDBQTOQSZHN-UHFFFAOYSA-N 459.015 4.549 10 10 JJCE O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 40486518 NUXRHLKBNDIBRB-HXUWFJFHSA-N 466.837 4.854 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2 226725038 MUXJFEALUSDAHB-FXKZBUDASA-N 469.379 4.890 10 10 JJCE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNCc1cc(Cl)cc(Br)c1O 708190085 IOUUVYJPOYFBMF-AWEZNQCLSA-N 459.812 4.935 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c4c(nc5ccc(Cl)cc35)CCOC4)cccc21 1859616706 ZWIJVFSLIVKCBF-UHFFFAOYSA-N 468.896 4.989 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 1860747041 QMZUHSXUTBNQIW-UHFFFAOYSA-N 456.495 4.625 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(N3CCCCC3)ccc2[nH]1 1866548564 WARRBRAGTQAGHD-UHFFFAOYSA-N 477.520 4.546 10 10 JJCE CC[C@](C)(NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696324 JACCUNUJXVUOOW-UHSQPCAPSA-N 479.665 4.767 10 10 JJCE COCCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420590 RHDMHVMKWZYRNM-UHFFFAOYSA-N 471.557 4.525 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427233 IKKNXORZORXUSJ-UHFFFAOYSA-N 490.554 4.659 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(N)c2I)C(C)(C)C)c(O)c1 2080037833 ORTKJFSKQZZIDB-KRWDZBQOSA-N 455.340 4.687 10 10 JJCE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CCN(Cc2ccccc2)CC1 2180959936 CFRNJYGOHWPCHI-OAQYLSRUSA-N 470.618 4.627 10 10 JJCE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](N)c2ccc(N3CCCC3)cc2)C1 2268737194 DZXDCWBPPGHIMY-XMMPIXPASA-N 451.611 4.741 10 10 JJCE CCOC(=O)c1cccc(-c2ccc(C=C3SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c1 2293285404 INHKCIUCEFSLOG-UHFFFAOYSA-N 478.551 4.670 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 2296390085 JRPJPLHAWGNDRN-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 2296539329 OEWNWWRDATUEAD-UHFFFAOYSA-N 479.627 4.824 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3OCC)C2=O)cc1 2296881679 VTQGOQWTJFGCSB-UHFFFAOYSA-N 456.589 4.714 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 2297303503 XWNUIXOPSRPZCN-UHFFFAOYSA-N 477.991 4.692 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2297459878 NKIMQNGNCFBHKN-UHFFFAOYSA-N 492.509 4.719 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 2313549024 LJWHNJINZCOKPY-UHFFFAOYSA-N 479.330 4.722 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314828126 QNQVAXUJKJOKHW-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314836858 LDZCRMALHKLLLA-KRWDZBQOSA-N 482.627 4.705 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1Cl 2821260 FMMPCJXTEZNEOX-CIAFOILYSA-N 490.899 4.592 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc4ncnc(NC[C@H]5C[C@@H]6C=C[C@H]5C6)c4c3C)CC2)cc1 12099970 SGSYNIFPAPJQJJ-HSALFYBXSA-N 489.645 4.595 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1F 20236122 BWYSVESSRNPIKA-VQPMMNKFSA-N 486.297 4.626 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 33424257 QFJGEHSOHFRVNR-DZLJMLGJSA-N 457.471 4.717 10 10 JJCE O=C1/C(=C/c2c(N3CCCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33473037 QGJBIBKWNGVHBE-HKWRFOASSA-N 494.617 4.615 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526364146 ROJHYUBRJRENDO-RUZDIDTESA-N 476.529 4.628 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(C)C)CC1 1749828364 CMZYLKSTMXIBNX-UHFFFAOYSA-N 462.642 4.847 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 1860074735 IDVOCDYLHAINCD-VGOFMYFVSA-N 456.423 4.734 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1860083938 GUSNTSRUDLZRAW-VIZOYTHASA-N 451.869 4.571 10 10 JJCE O=C1/C(=C\c2cc(Br)cc(Br)c2O)C(C(F)(F)F)=NN1c1ccccn1 1865673081 UIHQVKDYVJEVTD-POHAHGRESA-N 491.061 4.661 10 10 JJCE O=C(Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1)c1cc(O)c(O)c(O)c1 1865876472 MUNSINQXKTWLNX-UHFFFAOYSA-N 467.279 4.505 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873163887 BHEOHLDNXUAOAY-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873419998 TZLYKLNUMCWZBX-XMMPIXPASA-N 455.558 4.774 10 10 JJCE O=C(OCc1ccccc1)N1C[C@@H](NCc2cc(Br)cc(F)c2O)C2(CCC2)C1 2089113394 HJWRCEAZDPVHHH-LJQANCHMSA-N 463.347 4.575 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1 2293556348 KOCPMMHQBFDHDE-UHFFFAOYSA-N 482.949 4.987 10 10 JJCE Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)OC(C)C)c1 2295355980 BSVFQJZUAPZJKB-IWIPYMOSSA-N 457.530 4.752 10 10 JJCE O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N(c4cccc(C(=O)O)c4)C3=O)o2)c1 2297616386 QAJXVBYWYLQGKG-UHFFFAOYSA-N 451.481 4.749 10 10 JJCE COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 2297734882 GVYMLRSTYIYYSB-UHFFFAOYSA-N 462.453 4.965 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1OC 2313548956 JYPOZIDQMZPNAR-UHFFFAOYSA-N 495.329 4.676 10 10 JJCE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)C(=O)O 15045040 XQPMTQKQZSOJER-RRMQHPPMSA-N 482.627 4.705 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(OC)c1 20236048 FOKLQEWCLGFPKP-VFWYHHDWSA-N 497.935 4.655 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)o1 33424357 WBYNTHSHYJOTRL-SCORJZKRSA-N 487.497 4.839 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OC(=O)c1cccs1 33446270 MBIQDVYJZPRNFI-XDHOZWIPSA-N 476.510 4.870 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)c1 33932701 ZAWVAUVLJJZEMF-GZTJUZNOSA-N 477.405 4.688 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccc(C(F)(F)F)cc3)c3ccco3)CC2)cc1 38620120 ITEXITNQRBZITC-JOCHJYFZSA-N 488.510 4.992 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C/c4cccs4)SC3=S)on2)cc1 40324394 ARXKNLKBYAEIGE-UNOMPAQXSA-N 469.613 4.619 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 102855869 DHUGPPDGACOIJP-LRFDDAOPSA-N 481.854 4.755 10 10 JJCE COCCCN1C(=O)/C(=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213197078 XETDRDDPWYVMIE-ZHZULCJRSA-N 495.626 4.650 10 10 JJCE C/C(=C\C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)c1cnccn1 1586926507 XUHOEWGUZNPGEP-WSYSLRRZSA-N 458.356 4.505 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c(OC)c1 1860085265 ZUUPPACFTHLDIL-VGOFMYFVSA-N 451.982 4.781 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873164582 IGLLASRCZPYRRD-UHFFFAOYSA-N 491.632 4.543 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(Cc3ccco3)C2=O)cc1 1873166708 FOYJUKHPBJCXBI-UHFFFAOYSA-N 469.516 4.896 10 10 JJCE COc1ccc([C@H](n2nc(C(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2080000108 PFIUWXBVOVTMHL-KRWDZBQOSA-N 454.308 4.527 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1 2296660076 CQJBMPXHOXABAC-UHFFFAOYSA-N 473.558 4.758 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 2296714192 FYBSGPPVGWKWAY-UHFFFAOYSA-N 473.417 4.896 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2cc(OC)ccc2OC)cc1 2313683165 SWSDHTIMGLAJFP-UHFFFAOYSA-N 473.529 4.858 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)cc3)SC2=S)cc1 2314932254 UZHRCPADEPNGOO-UHFFFAOYSA-N 456.589 4.792 10 10 JJCE CCN1N=C(c2ccccc2)C(=Cc2cc(Br)cc(Br)c2O)C1=O 2332131638 OCNKIPYDVRNNSD-UHFFFAOYSA-N 450.130 4.567 10 10 JJCE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1820413 MYFXTVMHNQPGSY-MHWRWJLKSA-N 488.681 4.732 10 10 JJCE CN(C)c1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3)C2=O)cc1 3167843 GARSCGQUNIZSSP-GZTJUZNOSA-N 495.411 4.628 10 10 JJCE O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)o2)cc1Cl 33319784 WETBJOIOAYPEBW-WJDWOHSUSA-N 452.875 4.970 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 96822637 YFRSWTSLBKGPAY-XQNSMLJCSA-N 470.525 4.758 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)Nc1ccc2oc(=O)ccc2c1 103040689 AGNCMMIJUBGXNN-WOJGMQOQSA-N 470.959 4.676 10 10 JJCE COc1ccc(OC)c(/C=C2\SC(=S)N(CNc3ccccc3Br)C2=O)c1 210997442 OALVIRZUDDNIDE-YVLHZVERSA-N 465.394 4.737 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526380021 JXZRQAXCDPMDJV-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CCOC(=O)c1cccc(N2NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 1084356173 CWRQVAUQSRILPU-BUVRLJJBSA-N 499.954 4.981 10 10 JJCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4cc(C)ccc4OC)sc3C)ccc21 1859572448 INHKHMIJPKPRKL-UHFFFAOYSA-N 471.604 4.535 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c[nH]nc3c2)sc(C)c1-c1ccc(OCC)cc1 1860748123 NGPACUFPXREFCJ-UHFFFAOYSA-N 492.557 4.752 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3cccc(C(F)(F)F)c3n2)N2CCCCC2)cc1 1866534262 UAWDNTNCEHNLIJ-QFIPXVFZSA-N 486.538 4.982 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C(F)(F)F)ccc3[nH]2)N2CCCCC2)cc1 1866557900 OUELHXSOOCJOTA-QHCPKHFHSA-N 486.538 4.570 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079857479 AVFQYVDOQORYNP-CQSZACIVSA-N 463.250 4.555 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080042416 HKFCBBIVVZTWDE-GOSISDBHSA-N 463.372 4.978 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)C[C@@H]1C(F)(F)F 2279240056 GRSMURBXCNPANI-IAQYHMDHSA-N 453.299 4.575 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287600256 ZOAXQKFQSUAOLE-IEBWSBKVSA-N 475.630 4.695 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1 2294208478 GMURYYUMLUVQGT-UHFFFAOYSA-N 496.928 4.528 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1 2297347735 XZXZFTNBLIOJER-UHFFFAOYSA-N 467.909 4.647 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1 2313560901 KRCZUNCUSSVCAP-UHFFFAOYSA-N 477.314 4.695 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2313577436 UXGJGZHOANRXPK-UHFFFAOYSA-N 451.519 4.713 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 15037748 IFMDQCUXEYDACG-WJDWOHSUSA-N 481.477 4.844 10 10 JJCE COc1cc(Br)c(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OC 33323893 ONXMVFWNKQVHLE-NVNXTCNLSA-N 459.296 4.590 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)N1CCC(C)CC1 39793801 NGSSHFXULYTDSS-JCMHNJIXSA-N 482.627 4.738 10 10 JJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(OC)c1 59198516 ABRWLNGNHNKJSE-PDGQHHTCSA-N 488.407 4.976 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3cc(Cl)ccc3OC)C2=O)cc1 95536427 GLOSGBGBGRHTHB-QGOAFFKASA-N 451.866 4.655 10 10 JJCE O=C1CN(Cc2cccc(F)c2O)CCOCCOc2ccccc2Oc2ccc(Cl)cc2N1 643589694 XTYCQYLPTLYUCO-UHFFFAOYSA-N 486.927 4.827 10 10 JJCE CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 917242922 BUFCSSHNJXMWMF-LJQANCHMSA-N 470.875 4.503 10 10 JJCE C/C(=C\C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)c1cnccn1 1586926506 XUHOEWGUZNPGEP-UKYUDJEDSA-N 458.356 4.505 10 10 JJCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864007505 OGYPMSOANLPICN-XMMPIXPASA-N 488.588 4.516 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869969961 BKFKLEVTDOWUTK-UHFFFAOYSA-N 497.043 4.593 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cc(Cl)ccc1O 1873908858 PCFOXLPXZIKMKO-UHFFFAOYSA-N 484.943 4.962 10 10 JJCE CCc1ccc(C(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874747064 RRMYXPILJSTXAJ-UHFFFAOYSA-N 472.585 4.872 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)c(O)c2O)C1 1952527089 ATZDZLJTBANPGO-OYHNWAKOSA-N 475.497 4.590 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2I)C2(C)CC2)c(O)c1 2079037782 OSWWDMVEFQEERU-CQSZACIVSA-N 464.225 4.723 10 10 JJCE CCN(CC)c1ccc([C@@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2163144792 AJVALHJSJXCELE-LEAFIULHSA-N 466.670 4.963 10 10 JJCE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 2297352751 SHDZSHRNFSWWHY-UHFFFAOYSA-N 489.601 4.515 10 10 JJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314837093 OCEVAFMNLKVRKI-LBPRGKRZSA-N 477.405 4.686 10 10 JJCE COc1ccccc1C=C1SC(=S)N(c2ccc(I)cc2)C1=O 2321616850 KKRVWRDPKBOMNF-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c(C)c1 14458104 CRWYZXGKKYXQKD-YPAYRVMASA-N 452.620 4.896 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1 33366099 BNUCCRZGYFWWCI-SMKDVUIYSA-N 455.543 4.770 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33796004 MXSQHTRMSKFBSE-LDADJPATSA-N 485.034 4.880 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)c2ccccc2Cl)C2CC2)c(OS(=O)(=O)CC)c1 37420549 ULIGWRFPRXGDEP-UHFFFAOYSA-N 465.015 4.720 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccc(Br)cc1 40940407 GGFHZABVTIGEDH-NTEUORMPSA-N 498.221 4.758 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3c(C)nn(Cc4ccc(C)cc4)c3C)CC2)cc1 209669917 CEEQZQFFEJRLDH-PFONDFGASA-N 458.606 4.617 10 10 JJCE CCCCN(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586672494 FWQPEFOYCJWTHD-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S 1084188331 PNGDWJTUZRJJHH-YBEGLDIGSA-N 458.370 4.643 10 10 JJCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C(=O)N(C)C)CCCC1 1705835700 RDRPYNKUJSJDII-UHFFFAOYSA-N 460.626 4.623 10 10 JJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858596699 YSOYFHFOHQEESA-JWMHTZDUSA-N 471.600 4.975 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862133535 GBRCARXZNNMKPF-HHHXNRCGSA-N 495.664 4.902 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)CC(F)(F)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952353644 NIHNSGLNEMULNG-MRXNPFEDSA-N 483.467 4.658 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)cc1C 2080023427 AYCXFRUPUAEGGC-KRWDZBQOSA-N 481.378 4.596 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080054610 SIVMTOHFMJKPRG-MRXNPFEDSA-N 484.334 4.587 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNCc2cc(Cl)cc(Br)c2O)C1 2205240174 JOWRBPTUPYIAGS-VLIAUNLRSA-N 459.812 4.935 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2293692903 JMYHZCZQDXQUND-UHFFFAOYSA-N 478.932 4.576 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)cc1 2296340282 DVVUYEHSNXFVQL-UHFFFAOYSA-N 497.620 4.869 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2297468930 YWSWZXCBAAYHOQ-UHFFFAOYSA-N 451.861 4.929 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314936547 ZJVPYPPDHULAIU-AWEZNQCLSA-N 471.556 4.546 10 10 JJCE N=C1/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12 3463223 MZZNLOSFPZKUOK-OEEDQDNFSA-N 496.508 4.858 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OC(C)C 40938426 GJBUVNLONDDZQA-GDNBJRDFSA-N 488.425 4.701 10 10 JJCE CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1OC 59861207 CCZNCRKTYYPKKX-YBEGLDIGSA-N 489.322 4.762 10 10 JJCE Cc1cc(/C=C\C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96892007 JHQZLPDFJTZPHH-FLIBITNWSA-N 471.557 4.713 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)cc1 526156846 CROXUAVDVZFSNL-VWLOTQADSA-N 458.514 4.590 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 1867774881 JDXDAFFBVCSEPI-NSOVKSMOSA-N 484.644 4.567 10 10 JJCE CCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870468412 DGBYTRBLXSTXDH-UHFFFAOYSA-N 475.633 4.948 10 10 JJCE CCN(CC)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421053 DNBHLOQCVDKVBB-UHFFFAOYSA-N 499.659 4.694 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1C 1873426168 QOAGQNMPYKLEDL-UHFFFAOYSA-N 479.584 4.869 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079957028 MFDZBTPYNZXOOY-GOSISDBHSA-N 468.335 4.720 10 10 JJCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccccc1C 2293403513 JRVAODROPHNDMZ-UHFFFAOYSA-N 485.363 4.594 10 10 JJCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 2297462307 WTPQFTZEPOVIPL-UHFFFAOYSA-N 462.483 4.628 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935226 NXXXWRPWWDFCIE-SFHVURJKSA-N 485.583 4.936 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N(CCCO)C1=O 2323678070 IZONYEZMWMPZRU-UHFFFAOYSA-N 463.934 4.714 10 10 JJCE CS(=O)(=O)Oc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 3000445 AMALLZDKZAKHGL-OVCLIPMQSA-N 460.385 4.738 10 10 JJCE Cc1ccc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c(C)c1 27549660 DWYQNAPKWFYNOM-AHMVSGTESA-N 488.491 4.943 10 10 JJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33723228 LXRUMJUKEMVPLD-RCCKNPSSSA-N 490.654 4.801 10 10 JJCE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990466 JUPORPYRFGOOEY-VKAFWAACSA-N 486.707 4.920 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=N)N12 104372844 OTTGBLVZXISTQX-WKWHHHHXSA-N 454.533 4.611 10 10 JJCE CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1 170564875 XMYCTWJPDYOPHC-UHFFFAOYSA-N 461.521 4.641 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1 526281524 LYAMQEBKPHELFL-DEOSSOPVSA-N 457.486 4.820 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526353445 QCCATXXDHTVEEI-RUZDIDTESA-N 488.540 4.614 10 10 JJCE C[C@@H]1CCCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)C1 917636473 GLJNUCSQNRKSSO-CJFMBICVSA-N 487.604 4.704 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 1084392515 VAUJLFBUPDLBNL-KQWNVCNZSA-N 486.524 4.729 10 10 JJCE CCc1nc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)sc1C 1860344791 GJNRBKODBFWRGX-UHFFFAOYSA-N 483.597 4.930 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccc(F)cc1 1860645993 IVPRWVRPWWEKFC-QGZVFWFLSA-N 460.571 4.872 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3C)c(C)cc2=O)sc(C)c1-c1ccccc1 1866283772 URLQGKAIXLNVGX-UHFFFAOYSA-N 473.554 4.925 10 10 JJCE COc1ccc(N2CCN(C(=O)CCCN(Cc3ccccc3)Cc3ccccc3)CC2)cc1 1866348783 IJZSIWFAORFONR-UHFFFAOYSA-N 457.618 4.826 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867343263 USDNTZNLGROYIN-UIOOFZCWSA-N 482.644 4.524 10 10 JJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873420289 XUVKMTKKMUKLLO-RUZDIDTESA-N 483.568 4.668 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccccc4Cl)cc3)CC2)cc1 1874739343 CABOTNYKICCLPP-UHFFFAOYSA-N 493.003 4.892 10 10 JJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3C)ncnc21 1875205184 NFXXHMTVZJTHLN-UHFFFAOYSA-N 498.631 4.733 10 10 JJCE CC(C)(C)OC(=O)NCC1(NCc2cccc(Cl)c2O)CCN(Cc2ccccc2)CC1 2067210532 TVQLJEWRSXVXMG-UHFFFAOYSA-N 460.018 4.695 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079047324 KVKDFCOKJADZPC-CYBMUJFWSA-N 464.250 4.773 10 10 JJCE CCc1c(C2CCC2)nn(Cc2ccc(Br)cc2O)c1I 2079834823 RWQDRLQGZMNTCM-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)O)c1I 2080011856 GYBLEQRLRVHVOY-CYBMUJFWSA-N 456.324 4.805 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 2296660122 ICRAQZWTHIJEMS-UHFFFAOYSA-N 492.959 4.885 10 10 JJCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C1 2296706716 LNIIMAPVYXMTKD-HDICACEKSA-N 490.654 4.578 10 10 JJCE COc1ccccc1OCCCn1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)c2ccccc21 2297347620 OCUQCBOSURVFNX-UHFFFAOYSA-N 456.502 4.569 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 2297458205 QLZZRONUHDKBPC-UHFFFAOYSA-N 482.949 4.987 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 2313553202 RLAXMVYFQMLFKG-UHFFFAOYSA-N 465.849 4.737 10 10 JJCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccs3)=NN12 2375375 BXDVXYLYEJSAHV-NSRJHJJVSA-N 474.567 4.873 10 10 JJCE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(Cc2ccc(Cl)cc2)C1=O 2452167 RQGOUZQOWIZOKS-CCEZHUSRSA-N 465.781 4.826 10 10 JJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 15047219 XSVJLIPQEBWDSK-RMENWYJGSA-N 468.600 4.911 10 10 JJCE CCn1c(CCc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)nc2ccccc21 15870584 NORJSOXIXHHSID-UHFFFAOYSA-N 463.588 4.647 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1cccc(Cl)c1 33326194 NTPOBGVBCBVMFQ-RIYZIHGNSA-N 453.770 4.649 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 33424338 FFUIOJTUYXTFGC-NCNWTYLVSA-N 493.545 4.862 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 39835882 LEJNWVDODKLVBI-XMHGGMMESA-N 463.584 4.939 10 10 JJCE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066827 SZSBYQOFTICSMT-MTJSOVHGSA-N 496.658 4.669 10 10 JJCE CN(C)c1ccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccc(F)cc5)CC4)c3c2)cc1 65002296 NFOHIZKFFPOWEC-UHFFFAOYSA-N 483.591 4.697 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526179547 WZSRMZSZFCAWDT-NRFANRHFSA-N 471.868 4.965 10 10 JJCE O=C(Nc1cccc(C(=O)NC2CCCC2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586705500 YYUQBPGDHXFPGC-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE C[C@H]1CCCN(C(=O)C2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)C1 917636478 GLJNUCSQNRKSSO-CPJSRVTESA-N 487.604 4.704 10 10 JJCE C/C(=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc(C(F)(F)F)cc1 1127182366 WUQAQQXWIYNYFB-MNDPQUGUSA-N 457.540 4.957 10 10 JJCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079952466 IWWWMWVUZCRFHO-QGZVFWFLSA-N 468.335 4.549 10 10 JJCE CN1C(=O)C(=Cc2ccc(OCCOc3ccc(Br)cc3)cc2)SC1=S 2293456934 HGHOCMVIEKDEPP-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE CCn1c(C=Cc2c(C)n(C)c3ccccc23)nc2ccc(I)cc2c1=O 2296691862 LDOQOHATDLAYSC-UHFFFAOYSA-N 469.326 4.992 10 10 JJCE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S 2314739972 OSACOBPFEFRKPH-INIZCTEOSA-N 450.585 4.842 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 2314769467 QWUXNFLWLDJWFX-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 14471528 YRUYYGDCSOSZCM-PLXFJCCSSA-N 475.570 4.942 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(C(=O)O)c1OC 16906175 OFCDSWGFBQZOSA-NTEUORMPSA-N 480.361 4.570 10 10 JJCE N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 18090906 YYPRUODBEQTTTK-MRKXPFMVSA-N 456.483 4.507 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33751731 QGGXSDPYAPQRBG-XDHOZWIPSA-N 464.616 4.535 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1cccc(C)c1 40937917 WDYPKHSKEUKAJS-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCc1ccccc1 40938592 PYEUWMKTZSHKTG-QNGOZBTKSA-N 471.600 4.819 10 10 JJCE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 102822949 JZLBNAFOCPGKDB-UDWIEESQSA-N 488.594 4.609 10 10 JJCE Cc1c(CCNC(=O)c2ccccc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 138774433 WXZLTMVNESGCJU-UHFFFAOYSA-N 476.573 4.968 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526376668 KGZCYSFISMZTSU-VWLOTQADSA-N 493.512 4.580 10 10 JJCE CC1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586659375 FQWJNOBXSLDQDH-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE CC(=O)c1nn(C)cc1OCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 1190283435 MFPFHQRHLUFPRJ-UHFFFAOYSA-N 453.848 4.964 10 10 JJCE CCCOc1cccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)c1 1858594266 RWEDKARRMITCOW-FNNTWHHHSA-N 456.633 4.988 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1cccc(OC(F)(F)F)c1 1860657539 LIXPNBCGUJZHQR-UHFFFAOYSA-N 467.669 4.825 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(Cc4ccccc4)n3)CC2)cc1 1862374378 PDTRFARNIXREMK-UHFFFAOYSA-N 470.548 4.709 10 10 JJCE CCOc1c(Br)cc(/C=C2/C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 1865671097 KBVGLSOUYNBZKW-GZTJUZNOSA-N 459.340 4.515 10 10 JJCE CC(C)Cn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871024154 YRNHJUULGNLWJZ-UHFFFAOYSA-N 476.606 4.703 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CCCCN(Cc2ccccc2)C1 1881472899 KFFFOUHJZMPCSY-MHZLTWQESA-N 452.643 4.531 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079027110 OCPXOIHWGWJBNZ-QGZVFWFLSA-N 480.346 4.729 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)c(O)c1 2079046689 CZNPAARXWDBZSQ-AWEZNQCLSA-N 467.273 4.615 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc(N)c2C1 2168786988 XVIKHXHLRYSGHO-YADHBBJMSA-N 462.638 4.520 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(Br)cc4)cc3)C(=O)N=C2S1 2293344058 YUBMLVPOTCFOQR-UHFFFAOYSA-N 499.390 4.936 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 2313558918 MXLCJNVJSKQTGI-UHFFFAOYSA-N 496.947 4.898 10 10 JJCE CC1CCN(C(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)CC1 2314485663 BFQXJZKASKSHOF-UHFFFAOYSA-N 452.601 4.730 10 10 JJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15039802 IWVADFOMTZQISN-MOSHPQCFSA-N 451.573 4.797 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526159281 WHMNPGRCYYFERN-SANMLTNESA-N 488.540 4.598 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526468301 CZLCYOMIFSZUBH-VWLOTQADSA-N 488.540 4.614 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526571604 LDQLENWPPBMJRY-XMMPIXPASA-N 490.512 4.521 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526633490 UDKKNWYUOGIEJM-VWLOTQADSA-N 490.556 4.844 10 10 JJCE O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)cc1 1858590977 RMNMUVUQWNDIPO-VIZOYTHASA-N 452.326 4.688 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873170061 NAKHSNUGSYBTGG-CJFMBICVSA-N 485.632 4.629 10 10 JJCE O=C(O)CC(F)(F)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952725659 CMMBTANHVQYELS-HSZRJFAPSA-N 483.467 4.658 10 10 JJCE Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 2297307211 SYLHJIBIQVJMLJ-UHFFFAOYSA-N 493.545 4.636 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 2313558723 IFMWNVFTSSORPL-UHFFFAOYSA-N 494.519 4.774 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccccc1C 2314736553 NWRMZVPPEMJFTG-UHFFFAOYSA-N 491.594 4.524 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2314827558 HMVFFFBSKVNBLK-UHFFFAOYSA-N 454.573 4.522 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)ccc1O 2314831783 RVSMTUMSSCNSGI-UHFFFAOYSA-N 456.589 4.719 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)SC1=S 16926626 BBOYJRLUNKFHCL-MNDPQUGUSA-N 479.620 4.947 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(F)cc1 20236139 IOPUMMYNQOFVSA-OWQXJLPTSA-N 486.297 4.626 10 10 JJCE Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 20356317 SHDZSHRNFSWWHY-GGOACEJESA-N 489.601 4.515 10 10 JJCE COc1ccc(CN2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 33316069 ZDAKKEDJWVSMNK-DEDYPNTBSA-N 451.529 4.796 10 10 JJCE Cc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F 34684010 HWMIMUHOFATTPL-UHFFFAOYSA-N 472.557 4.839 10 10 JJCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 59536098 GRGRIQJWLVJBFJ-MOSHPQCFSA-N 450.853 4.725 10 10 JJCE COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C 102469884 HZUNQRLLSVJOFP-FLBUBJMWSA-N 461.469 4.593 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4cccs4)SC3=S)sc2c1 208742377 ITDXKHAPESQWHX-LFIBNONCSA-N 475.642 4.987 10 10 JJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)c1 213162746 VQFXOXMIHPDRJB-PDGQHHTCSA-N 451.573 4.713 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccc(O)c(O)c2)c1 526155672 UVOLYQZHHLCEQN-NRFANRHFSA-N 468.303 4.926 10 10 JJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(C)c(C)cc1OC 586215126 SAXWAYSDBUEFBP-UHFFFAOYSA-N 463.555 4.693 10 10 JJCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1128383423 AXZRSGJEMWHLCT-IQGLISFBSA-N 454.014 4.729 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1858592838 YVEUUENWTRZZAV-UWZYDCLUSA-N 454.356 4.596 10 10 JJCE O=C(C[C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868171168 TXKWVLUJJMTJGK-NRFANRHFSA-N 453.494 4.756 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873165835 WWEHODWCABMXMJ-QFIPXVFZSA-N 471.601 4.950 10 10 JJCE CCN1C(=O)C(Nc2ccc(CC(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422806 QBJYZAXPVDALEP-UHFFFAOYSA-N 485.584 4.800 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2c(O)cc(O)cc2O)C1 1952457213 PTZXJRHZAAKINX-QRQCRPRQSA-N 475.497 4.590 10 10 JJCE CCN[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1O 2090038399 WXEJMPKBZZGKMQ-HSZRJFAPSA-N 453.627 4.992 10 10 JJCE Cc1ccc(C2=NC(=O)C(=Cc3cc(Br)c(O)c(O)c3Br)S2)cc1 2295491515 MTTVIEULRKSDBO-UHFFFAOYSA-N 469.154 4.992 10 10 JJCE CCCCOc1ccccc1C=C1SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 2296939570 XCOOEORHBVWEGY-UHFFFAOYSA-N 466.563 4.566 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2297559838 NQUMBLVVWUHSJI-UHFFFAOYSA-N 453.420 4.779 10 10 JJCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F 2297624793 PDYAQUCUMOBZSW-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE CCc1ccc(N2NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 2313466186 UNUQIJFRNGQDOU-UHFFFAOYSA-N 462.933 4.951 10 10 JJCE CCOC(=O)c1c(COc2ccc(F)cc2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393698 JVFZVTIUXOKDSA-UHFFFAOYSA-N 477.536 4.902 10 10 JJCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)N[C@H](C)c3ccccc3NS(C)(=O)=O)c2C)cc1 108599872 MEPXLDGPLZEJMR-LJQBUTKESA-N 451.592 4.665 10 10 JJCE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032861 AQMDZAXBEYFWQF-FYJGNVAPSA-N 479.583 4.506 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526468562 ZWVHQSLHMGUCBW-VWLOTQADSA-N 489.524 4.976 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1 1084101140 KXEBNULGGFCABK-STZFKDTASA-N 456.498 4.557 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986077 OCXIAIYDIFYQHW-FQEVSTJZSA-N 461.585 4.854 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)(C)C)CC2)n1 1868274301 BELBARSQOVGLNC-UHFFFAOYSA-N 483.616 4.726 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873163956 FDQBADRWLUTZMI-UHFFFAOYSA-N 462.553 4.559 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080026351 WJPQWTNTBTZZEB-CYBMUJFWSA-N 470.351 4.894 10 10 JJCE CCN1CCc2cc([C@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163064661 XXHMCWSRXNKIBE-LBNVMWSVSA-N 466.622 4.946 10 10 JJCE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 2296728780 PUKJVUQLNLLGSH-RTBURBONSA-N 458.587 4.927 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(Cl)c3)ccc21 15962030 LTBKCURGBORUAF-UHFFFAOYSA-N 473.086 4.644 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 16919512 SBGIJCHFSQZNAD-DEDYPNTBSA-N 457.573 4.961 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1OC 33315782 SSGSPRMRQWDPEI-XSFVSMFZSA-N 456.589 4.632 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 33436674 MZEGQCZARRMPMR-MJOZVEEZSA-N 466.584 4.951 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33529865 GGHQSRUYJLYOFJ-NDENLUEZSA-N 494.642 4.988 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 36550966 BQQGDZHWSLUCAG-ISJBWFOZSA-N 462.571 4.745 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1 47133656 YKNWNVHVDYEBFH-YVLHZVERSA-N 484.990 4.847 10 10 JJCE COCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 101394968 RVLXAHXWMUYXKB-ZHZULCJRSA-N 473.023 4.955 10 10 JJCE O=C1/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 102996728 BYNBOJQTMMPJTL-QGOAFFKASA-N 467.547 4.770 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865026841 BJXKDMAQNWZBLV-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE Cc1cc(C)c(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)c1 1871343580 WYSQLBPKXZKDKM-UHFFFAOYSA-N 458.605 4.876 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(N)c2I)cc1C 2080012265 MRLAWUABFFJIPL-QGZVFWFLSA-N 451.352 4.833 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C)C(=Cc3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1 2294400623 XDXXGVWISHWWHD-UHFFFAOYSA-N 456.454 4.600 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCOC)C2=O)cc1 2296725428 IJLDDKLUTPOEST-UHFFFAOYSA-N 465.600 4.786 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(NC(=O)c2ccccc2Br)C1=O 2296764722 DPFGWOIPAPQRCF-UHFFFAOYSA-N 459.390 4.942 10 10 JJCE CC(C)n1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2296938644 GMPLANXTYAZWLH-UHFFFAOYSA-N 452.308 4.651 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 2297500217 SWJFKILMEPEKPD-UHFFFAOYSA-N 495.875 4.882 10 10 JJCE CCCCOc1ccc(C=C2SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC 2314557654 WMJQICQZCQKKKP-UHFFFAOYSA-N 451.592 4.667 10 10 JJCE CC1=NN(Cc2cccc(F)c2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2332131657 PWIMBKDVVBQSCR-UHFFFAOYSA-N 468.120 4.858 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468528 WLGXUAZWHTWFAE-VHSZZVNMSA-N 496.629 4.868 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccccc4O)S3)[C@H](c3ccccc3O)C2)cc1 54201406 NRJDACDHMUNDBF-ZJVWCJDDSA-N 471.538 4.928 10 10 JJCE COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 101123561 BKHJRZGVRVPOSZ-PGMHBOJBSA-N 476.558 4.523 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526379336 AQMQKFJXPCWWHQ-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)CC)C2)sc(C)c1-c1ccc(OCC)cc1 1860647405 YTLLMDLNCDJHSE-SFHVURJKSA-N 472.607 4.886 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Br)cc1 1862313161 KMRQHRANQSZBFN-UHFFFAOYSA-N 497.437 4.948 10 10 JJCE COc1cc(Br)cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c1O 1865671745 BDLKPFMVGVFZNP-OVCLIPMQSA-N 466.129 4.732 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)cc2)cc1 1865876889 JZBHWXZFHYVTRW-UHFFFAOYSA-N 475.548 4.951 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@H](C)C(=O)NC2CCCC2)sc2c1CC[C@H](C(C)(C)C)C2 1866238466 YXBGLUSNLVCVMD-XHSDSOJGSA-N 462.656 4.955 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](C)[C@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866262147 LPQFBXUEWZJOBF-UWVGGRQHSA-N 454.342 4.568 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccccc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869188412 QUPHLJGAFBAZKH-RUZDIDTESA-N 487.648 4.687 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(Br)c4)c3)CC2)cc1 1872849119 LQGALFZKGPWEEQ-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE CCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167704 TXQYVNHGSJNXQJ-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE CCOCCCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422989 ZPRQUZGWICWLLD-UHFFFAOYSA-N 473.573 4.721 10 10 JJCE CC(=O)N(c1nc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cs1)c1cccc(C)c1C 2040446421 GUKNROSAJZLPOY-UHFFFAOYSA-N 475.617 4.511 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2CC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163130468 HUASLYRTIBWRSP-AOYPEHQESA-N 466.670 4.745 10 10 JJCE O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)SC1=Cc1ccc(O)cc1 2293665825 HYYTXXBHKAVBIR-UHFFFAOYSA-N 455.583 4.770 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cccc(O)c1 2296754961 WVSZERIXPBVHTQ-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 2297358307 AENYOZVMFIETRK-UHFFFAOYSA-N 472.497 4.566 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314836510 GFQLTEVETNSKJA-LLVKDONJSA-N 481.477 4.842 10 10 JJCE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194122 NSJDWQFKAAJMHG-HHHXNRCGSA-N 486.568 4.546 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)CC2)cc1 23235471 NSPWDRUQRWVDSW-UHFFFAOYSA-N 476.524 4.805 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(Br)cc1O 33740791 IGOKCIDDYCJLHC-WOJGMQOQSA-N 464.406 4.997 10 10 JJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 35405656 GPQKHFFINYUNFE-XMHGGMMESA-N 479.583 4.639 10 10 JJCE Cc1c(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)c(=O)n(-c2ccccc2)n1C 39983450 JLSJHNYFGBQDTK-ATVHPVEESA-N 486.416 4.653 10 10 JJCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066713 LOLKRNKLXLPPHY-STZFKDTASA-N 480.659 4.703 10 10 JJCE CCOC(=O)c1c(COc2cccc(F)c2)n(C)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393662 ZNICDLBHRTVOKM-UHFFFAOYSA-N 477.536 4.902 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526203612 IYJWZFKIVZWTDZ-NRFANRHFSA-N 471.868 4.965 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 526309900 WJWUWBVVYIQXRF-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE COc1cc(Br)cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 642884225 CPEWOPGLNWXDMV-OAQYLSRUSA-N 498.329 4.828 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc2c1CC[C@H](C)C2 1865928284 ZRHMHROGHYHISW-LZLYRXPVSA-N 454.592 4.598 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(CCCOc5ccccc5)[nH]c4c3)CC2)cc1 1872798048 GKNMNYAIOFEFAC-UHFFFAOYSA-N 470.573 4.546 10 10 JJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2040867071 QQHCIWOUJKIMQU-GFCCVEGCSA-N 486.354 4.773 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079047115 ICQMVWFNWPSGTF-CYBMUJFWSA-N 462.234 4.527 10 10 JJCE CN1CCCc2cc([C@H](O)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163098967 ZBQDJYCWOZGBGK-LBNVMWSVSA-N 466.622 4.946 10 10 JJCE Cc1ccc(C2=NN3C(=N)C(=Cc4ccc(-c5ccc(C(=O)O)cc5)o4)C(=O)N=C3S2)cc1 2293215431 XKESRJUTDWOHDN-UHFFFAOYSA-N 456.483 4.621 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1ccccc1 2297303228 ZRBGTOSDRAMIRT-UHFFFAOYSA-N 480.405 4.794 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1Cl 20236283 JVMZZZLMMAAGMW-UHHRIPFMSA-N 467.909 4.647 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccs3)S2)CC1 33335532 JTEWPYYXONZCFG-RCCKNPSSSA-N 492.626 4.846 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1 35131462 DFZSPYYUOSNLDT-SGASUCAWSA-N 474.586 4.627 10 10 JJCE Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1c(N)c(Oc3ccccc3)cc(O)c1C2=O 59301086 RRSWLXMYBJRLTR-UHFFFAOYSA-N 454.438 4.622 10 10 JJCE COc1ccc(/C=C2/SC(Nc3nnc(SCC(=O)Nc4ccc(C)cc4)s3)=NC2=O)cc1 206386011 ZABWTIMSDWJHNT-GZTJUZNOSA-N 497.627 4.668 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526155022 COBNPPTVCOGUQP-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE CC(C)C(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 526568083 RGOPGBFGQDAQAD-NRFANRHFSA-N 450.516 4.811 10 10 JJCE CCCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 1084376570 MMBZJKISBMSHLO-GHRIWEEISA-N 471.351 4.911 10 10 JJCE CC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347461 QKHLHDUWBJZYFB-MUUNZHRXSA-N 478.552 4.630 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(NC(C)=O)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866439413 CAZCMNYULISARY-UHFFFAOYSA-N 489.553 4.871 10 10 JJCE COc1cc2c(cc1OC)CN(C(=O)c1ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c1)CC2 1873507149 ZOQGGXBUSDVINM-UHFFFAOYSA-N 456.546 4.512 10 10 JJCE CCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1875207214 QSCZPCJRAQZQPX-UHFFFAOYSA-N 478.641 4.805 10 10 JJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1O 1951667396 PLUZNUPGUMJRBJ-NRFANRHFSA-N 462.458 4.745 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC(N=[N+]=[N-])CC2)c1 2124511537 DZGRFYQFVVDSQV-UHFFFAOYSA-N 471.299 4.553 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])cc1I 2225801155 SBGCXSQWHNTUDQ-KGLIPLIRSA-N 471.299 4.599 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1c(C)cccc1C 2297347529 FDDAIOMFTFKWJJ-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933383 VOQMBSYGWOFCBB-NSHDSACASA-N 483.489 4.972 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC)C(=O)O 2314933654 WVLLFUJWYRTAPA-KRWDZBQOSA-N 471.556 4.546 10 10 JJCE CC(=O)c1cccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1 2331594805 CQGADEZQEOVTQM-UHFFFAOYSA-N 468.600 4.764 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14475667 VPXPDMLFLDXHQE-YZIHRLCOSA-N 491.569 4.648 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4cccnc4)S3)[C@@H](c3ccccc3O)C2)cc1 54201399 OVIAJHSUJLQYEU-SGMQAHBGSA-N 456.527 4.617 10 10 JJCE COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1OC 100712871 UWIJXDXRDFCVLY-HHMPRKGLSA-N 458.518 4.583 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)N2CCCC2)CC1 108063684 MLOKQIMLQLFOSU-SANMLTNESA-N 457.574 4.679 10 10 JJCE O=C(O)CCCCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858590421 PPQUEHDRGIRNAZ-KPKJPENVSA-N 464.790 4.654 10 10 JJCE Cc1ccc(CCCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860599883 GQAXUIAZXPGQFW-UHFFFAOYSA-N 494.591 4.970 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)sc(C)c1-c1ccc(C)c(C)c1 1860749217 YLLYJFFZKRZRMT-UHFFFAOYSA-N 482.558 4.721 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865028202 RPDDHPMDTVGDDR-JOCHJYFZSA-N 496.995 4.589 10 10 JJCE C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867017880 SQDLMVJHEOKDHU-BCHFMIIMSA-N 494.591 4.954 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873166517 RIWMSPGOOZWDRM-DKLXNKCPSA-N 461.606 4.521 10 10 JJCE CCOC(=O)c1ccc(CN2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167110 SFKVHKWCYOHCEF-UHFFFAOYSA-N 485.584 4.549 10 10 JJCE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 2040517818 RLZITLWQQFOSOK-UHFFFAOYSA-N 490.654 4.519 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 2053574885 OMLURQRXMUIFJU-UHFFFAOYSA-N 485.496 4.565 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CCN(Cc2ccccc2)CC1(C)C 2194939222 WWNNFNVTSXGYHM-NDEPHWFRSA-N 466.670 4.777 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296167133 XPMFAVZVBPMSOV-UHFFFAOYSA-N 471.944 4.959 10 10 JJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 2296700304 WBRYBPRKRBLDCU-UHFFFAOYSA-N 472.544 4.824 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 2296712272 RDAFBTVHKAWLAA-UHFFFAOYSA-N 499.617 4.752 10 10 JJCE Cc1ccccc1C1=NN2C(=N)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 2297344688 PXPFSJOSMBXJIQ-UHFFFAOYSA-N 457.471 4.831 10 10 JJCE Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=C4SC(=S)N(C)C4=O)o3)cc2)cc1 2297578070 CFBZMYJZLXPBGY-UHFFFAOYSA-N 492.578 4.882 10 10 JJCE Cc1cccc(C(=O)N2C(=O)C(=Cc3ccc(I)cc3)SC2=S)c1 2297578848 VNJOIQNUKJWCFM-UHFFFAOYSA-N 465.337 4.641 10 10 JJCE COc1ccc2[nH]cc(CCNC(C)=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)c2c1 2313682930 NYNUOUBUWMGIPH-UHFFFAOYSA-N 495.539 4.942 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2ccc(F)cc2)cc1 2313682967 OREPHVTVJQTBKO-UHFFFAOYSA-N 459.521 4.700 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc(F)cc1 2314832077 ZCSVWAHCDLVKMV-UHFFFAOYSA-N 460.552 4.637 10 10 JJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314836859 LDZCRMALHKLLLA-QGZVFWFLSA-N 482.627 4.705 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3OCC)C2=O)ccc1O[C@@H](C)C(=O)O 2314935906 STNJEAIYWQPYLF-AWEZNQCLSA-N 473.572 4.742 10 10 JJCE CC(=O)Nc1ccc(C(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331594930 SSZGXUZJTMSYRP-UHFFFAOYSA-N 468.600 4.764 10 10 JJCE Oc1ccc(OC(F)(F)F)cc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2361044119 UJSJVIJDVAAXNO-UHFFFAOYSA-N 472.507 4.852 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461043 LJRSBYDULWTWGI-VBWKBDAESA-N 469.379 4.890 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 20235876 UWLFKBGMHBCCEX-PPTQLFOTSA-N 461.518 4.610 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 33408525 LASCAQOQZKGPDP-OQLLNIDSSA-N 478.382 4.933 10 10 JJCE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 34988710 MBSJDRAAOOLXTK-UHFFFAOYSA-N 454.280 4.639 10 10 JJCE Cc1ccccc1CSc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)s1 39885709 QHRQROQFDLYVJC-BOPFTXTBSA-N 498.680 4.979 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCCc1ccccc1 40888746 HNQUAHTXYOAMKT-HMAPJEAMSA-N 485.627 4.717 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1C 59302418 DPJPRBYUFIPADK-JAIQZWGSSA-N 491.931 4.729 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 83261413 SVIRNCDJIBZIFO-CJLVFECKSA-N 488.496 4.668 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S 210753212 ICYPZTJQZMJQPI-PSIVNPAISA-N 474.648 4.766 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526229009 PXPDQRDQIHNVDW-AREMUKBSSA-N 490.556 4.844 10 10 JJCE CCN(CC)Cc1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1860086982 TXNVELFZHIJFKT-RCCKNPSSSA-N 450.633 4.849 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccc(Cl)cc1 1860343560 GPTSNOOUXDIIAS-UHFFFAOYSA-N 468.944 4.544 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccccc1 1860651689 GUAZCHYHFMEQSP-FQEVSTJZSA-N 477.586 4.786 10 10 JJCE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccc(Cl)n1 1866565230 AGCJAUWMPNLMDJ-DEOSSOPVSA-N 495.922 4.620 10 10 JJCE CCCOc1cn(Cc2ccccc2Cl)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870654562 CFLDTDFIGJTYPP-UHFFFAOYSA-N 482.024 4.670 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418489 KXTDFYJRFOERPX-UHFFFAOYSA-N 491.595 4.947 10 10 JJCE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194922235 FMQGHOLVNNQDTC-RBBKRZOGSA-N 478.678 4.662 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 2293998783 DJFFCDUFQWMZSM-UHFFFAOYSA-N 495.601 4.596 10 10 JJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br 2294199210 FGGGUNMYRWFCLJ-LBPRGKRZSA-N 477.355 4.597 10 10 JJCE COc1ccc(OCCCOc2c(Cl)cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 2297347574 JNZOUOPVODNLBU-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE Cn1c(=O)n(C)c2cc(C=C3SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)ccc21 2297561097 KDDYCXNDTDNSSP-UHFFFAOYSA-N 494.823 4.699 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 2314487922 LHWFUVWWQJWDAT-QZTJIDSGSA-N 474.586 4.627 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccccc1 2314827584 IAPAJAMVIHDHBI-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 20238755 IVRHHSBWIYJXHQ-DJCXZETLSA-N 464.528 4.863 10 10 JJCE O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3cccc(Br)c3)cc2)SC1=S 40937807 OWMPCCNBONJUCK-GZTJUZNOSA-N 478.389 4.704 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)CC2)cc1 104673332 DGIBYZMGCJSULH-UHFFFAOYSA-N 456.468 4.815 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526378576 XRUAFMQPGIFMCV-VWLOTQADSA-N 460.530 4.836 10 10 JJCE Cc1cc(CCNC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccccc1 730670741 UJFPRIJEMJNMNO-UHFFFAOYSA-N 459.594 4.632 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 1865667455 XVFSQLCVAUMXAW-ZSOIEALJSA-N 469.257 4.898 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865866785 JAAYTGFQHYHAQP-MGBSGCIJSA-N 490.375 4.734 10 10 JJCE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685665 GGNCCQFVPPLKLF-SXOMAYOGSA-N 477.649 4.603 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccccc4Br)c3)CC2)cc1 1872848594 MPRUTVLIERDLHS-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE CCOCCCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169980 JXDZVZYCAKNZHK-DVECYGJZSA-N 463.622 4.769 10 10 JJCE COCCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419825 BFIIYSBNUXNOMC-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE CN(C)Cc1cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1951566814 BREWPNDSXROFSJ-XMMPIXPASA-N 460.530 4.508 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079007222 OZTNFGSSMILZNT-LJQANCHMSA-N 480.346 4.945 10 10 JJCE CC(C)(C)OC(=O)N1CCc2[nH]c(=NCc3cc(Cl)cc(Br)c3O)sc2C1 2198515919 HMXGZGHBNAIGTH-UHFFFAOYSA-N 474.808 4.592 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCSc1ccc(C)cc1 2293332595 HJEMEBYLGQZGIG-UHFFFAOYSA-N 460.555 4.636 10 10 JJCE CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 2294216889 MHSOJJPGHDPDMY-UHFFFAOYSA-N 458.967 4.702 10 10 JJCE COC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297465541 XYDIUXTUKYWLLC-ZDUSSCGKSA-N 477.991 4.690 10 10 JJCE COc1cc(C=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)cc1O 2297507634 KFSKOUNMSYYATC-UHFFFAOYSA-N 455.230 4.988 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314414259 UQGBQPSQKOLBNB-UHFFFAOYSA-N 494.642 4.625 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2321743497 UEJRIBJKDSTYCW-UHFFFAOYSA-N 451.342 4.952 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc(Br)c1O 2321745620 QPYGKZXWCFTEGG-UHFFFAOYSA-N 458.305 4.847 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)ccc1O 14459052 PEQOAMGXRPCSDI-FHAGJXEFSA-N 454.592 4.648 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 20235904 AUTBMRSTQHZGMZ-JUWLHOMFSA-N 467.909 4.565 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NC3CCCCC3)nc12 33490829 MLUFGLSCHJYVHP-PDGQHHTCSA-N 456.637 4.605 10 10 JJCE CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 96868529 RDEVZFDSJVMGGB-ZHZULCJRSA-N 473.485 4.698 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526146842 GZHAVSJQVGQDPC-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526155742 WTZQCYYJSYHCBP-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526444903 GBURCEXMKPCGRF-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4cccs4)[C@@H]3c3ccc(N(C)C)cc3)cc2)CC1 526602972 FFQVTGNCKGLYRG-SANMLTNESA-N 488.657 4.619 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O 1460795220 KVRAHCNOJGRYDD-CVEARBPZSA-N 450.885 4.526 10 10 JJCE CC(=O)c1cccc(NC(=O)[C@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 1641743441 MASPVSFXPHSQNG-KRWDZBQOSA-N 451.567 4.694 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)c1 1860073469 IHFQGYHOANZFJS-LHHJGKSTSA-N 453.419 4.508 10 10 JJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 1860087545 FVHHXHWSVNAGPD-OQKWZONESA-N 453.633 4.775 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)sc(C)c1-c1ccccc1 1860652289 MENQGAVTMPXGSQ-FQEVSTJZSA-N 477.586 4.786 10 10 JJCE CCN(CC)c1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c(C)c1 1860721104 GXUBGUPYBZMQDB-UHFFFAOYSA-N 454.796 4.691 10 10 JJCE CCCC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899266 DHHWRNGRFLCXKT-SXOMAYOGSA-N 478.681 4.693 10 10 JJCE C[C@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(Cc2ccccc2)n1 1868209287 VAHRLJFFCLGEOZ-IBGZPJMESA-N 490.563 4.812 10 10 JJCE O=C(N[C@H](CC1(c2ccc(O)c(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952101044 JFRJCLAKBHDTKQ-JOCHJYFZSA-N 459.498 4.511 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)c1 2296881539 NMSMRCSWLGNCTL-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 2297056610 LYLMIHKZXRFOET-UHFFFAOYSA-N 497.916 4.738 10 10 JJCE CCCOc1c(I)cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OC 2297350215 RECFVXMZXDOOEO-UHFFFAOYSA-N 476.314 4.895 10 10 JJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837870 XSVJLIPQEBWDSK-CQSZACIVSA-N 468.600 4.911 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314933717 CQNGKMGRQVEPPJ-LBPRGKRZSA-N 463.964 4.996 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 20210989 MKINIZQZHYFFTR-YCWTWADVSA-N 461.572 4.799 10 10 JJCE Cc1ccc(C)c(Nc2cc(N3CCN(CCO)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 20322448 ZKSPKXWLUGZRSO-UHFFFAOYSA-N 468.557 4.514 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCC4CCCCC4)c4ccccc4n3)CC2)cc1 23424119 JAGJANYFDHAHKJ-UHFFFAOYSA-N 458.606 4.880 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)/C=C/c1ccc(OC)cc1 33431558 SDOWANXAPLSQJB-PBSFTAHRSA-N 455.557 4.544 10 10 JJCE CCCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 39868894 QTCNJNVAELEMEC-LJQANCHMSA-N 499.460 4.678 10 10 JJCE CCN(CCc1c(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)[nH]c2ccccc12)C(C)=O 59089784 ZVTPUMVQKYERSU-ZHZULCJRSA-N 478.936 4.739 10 10 JJCE CCCSC1=N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 95925422 RUQCABKICPAEPF-NKFKGCMQSA-N 451.592 4.809 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1C 206835140 RFKFZIBREGWIMG-KGENOOAVSA-N 471.600 4.737 10 10 JJCE CCc1nnc(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(Cc3ccccc3)C2=O)s1 211917463 FHXITSVWPCLRRR-ZPHPHTNESA-N 480.640 4.596 10 10 JJCE Brc1cc(CNC[C@@H](c2ccccc2)N2CCOCC2)ccc1N1CCCCC1 1660846805 IKZAEZSXFLAOHY-DEOSSOPVSA-N 458.444 4.603 10 10 JJCE COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cc(Cl)cc(Br)c1O 1860715282 RIKVIFXJGLWYPQ-UHFFFAOYSA-N 462.171 4.897 10 10 JJCE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866982943 MCVRPRQBFKMCCW-DEOSSOPVSA-N 498.579 4.744 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873163944 DELRGAXBXFPTOO-UHFFFAOYSA-N 465.553 4.800 10 10 JJCE CCCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650579 UTJLSOCZZPEBME-UHFFFAOYSA-N 498.631 4.991 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccccc4C)c3)CC2)cc1 1874735661 QWVODLBXHTWYCD-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE CN(C)Cc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1O 1951780538 HLWGGOKXIZYNDF-IBGZPJMESA-N 474.557 4.551 10 10 JJCE CCOC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1Br 2079235109 NWNKIGTWBHTXMY-UHFFFAOYSA-N 461.156 4.614 10 10 JJCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(=O)OC 2079952259 FXWMDFVBMZHAAR-GOSISDBHSA-N 468.335 4.549 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C2(C)CC2)cc1C 2080009269 YHZJMUGODOJWDZ-GOSISDBHSA-N 466.363 4.743 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNCc1cc(Cl)cc(Br)c1O 2102798376 OHWJBPBDTIPJIU-GFCCVEGCSA-N 455.727 4.542 10 10 JJCE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163172256 OJWWVABBCRBYPI-GOSISDBHSA-N 474.646 4.788 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1Cl 2296397915 GYGDSUFAMNEIBE-UHFFFAOYSA-N 467.884 4.562 10 10 JJCE COc1cc(C=C2C(=O)NN(c3cc(Cl)ccc3OC)C2=O)ccc1OCc1ccccc1F 2296741750 RAABIAMQRYSJIH-UHFFFAOYSA-N 482.895 4.537 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2314506144 BDYBDXGRAUSAHX-UHFFFAOYSA-N 499.589 4.562 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccc(OCCC(=O)O)cc2)SC1=S 2314926107 BBOYJRLUNKFHCL-UHFFFAOYSA-N 479.620 4.947 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)c1 2323879663 RIEQAFPROAOISS-UHFFFAOYSA-N 454.617 4.570 10 10 JJCE Cc1ccc(C)c(CN2N=C(c3ccccc3)C(=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2=O)c1 2332141157 JUPVXZZATVFRNX-UHFFFAOYSA-N 469.497 4.813 10 10 JJCE COc1ccc(N2CCN(CCCNC(=O)C3=Cc4sc5c(c4CS3)CCCC5)CC2)cc1 20931385 ZUJMSLFPJFBGBA-UHFFFAOYSA-N 483.703 4.552 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N4CCCCCCC4)c4ccccc4n3)CC2)cc1 23431212 UVMFERGTVHWVGU-UHFFFAOYSA-N 458.606 4.976 10 10 JJCE COc1cccc(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1 33330939 AJJDUHYPDHDCSH-OEAKJJBVSA-N 485.496 4.824 10 10 JJCE CCN(CC)c1c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478222 CZPCYRXYDGHAKQ-AQRZYSDFSA-N 480.659 4.857 10 10 JJCE CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(N(C)C)cc2)nc1C 35002227 UWOLVVHCMKEOBM-HXUWFJFHSA-N 459.527 4.576 10 10 JJCE CCCc1nnc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)s1 39793646 QAWUJNLHHNGUBP-AQTBWJFISA-N 496.639 4.914 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3ccccc3OCc3csc(C)n3)CC2)cc1 108429524 HLIDKAFMFCIFGB-MDWZMJQESA-N 463.603 4.791 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526155510 QBCHJOXAYDYOCU-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526173426 KASXZXITSZLOSP-QHCPKHFHSA-N 451.450 4.701 10 10 JJCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 1084272540 FQTCJLHIWKIHEH-AQTBWJFISA-N 457.324 4.603 10 10 JJCE CCOc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347198 BHPBAMRYIRRWDT-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1 1862337946 BEPFWUXYPAGSKZ-UHFFFAOYSA-N 482.584 4.827 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(O)c(N)c2)sc(C)c1-c1ccc(Br)cc1 1866096626 YLUWLQZEWQYMTE-UHFFFAOYSA-N 461.337 4.813 10 10 JJCE CC[C@@](C)(NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867897030 PMAQKGFTNPJJGT-GGXMVOPNSA-N 478.681 4.611 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3CCC(C)C)CC2)cc1 1870616020 FDCNOQZJMUWJAD-UHFFFAOYSA-N 493.623 4.943 10 10 JJCE CCCCOc1cn(CCN2CCOCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871110408 JEOPHOPJEIDTDB-UHFFFAOYSA-N 476.621 4.715 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873168463 WHHDCHDMLKZNSF-LJQANCHMSA-N 487.600 4.650 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2CCC2)c1I 2078992722 SBCIGRDHOJRXDK-LJQANCHMSA-N 480.346 4.945 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C2(C)CC2)cc1C 2080052992 QYTVBHYKWKYIEM-OAHLLOKOSA-N 479.284 4.677 10 10 JJCE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296709087 SCWGWULFAXESKP-UHFFFAOYSA-N 498.633 4.751 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(C)c1 2313557828 MWSBJIYIDXVYIV-UHFFFAOYSA-N 474.488 4.778 10 10 JJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC(=S)N1C[C@H]1CCCO1 2314522474 KRRRZIITMRIQHS-LJQANCHMSA-N 491.594 4.648 10 10 JJCE C[C@@H]1C(=O)[C@H](C)[C@@H](c2c(O)cccc2Br)N[C@H]1c1c(O)cccc1Br 2300563 XEGCGRZCWIFNHZ-AKTMJFKJSA-N 469.173 4.850 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O 14458872 HUAJTCFMISEHKP-OREGWCPLSA-N 476.598 4.748 10 10 JJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15046784 KXNXXKNMKVIWML-UEMWTREESA-N 477.405 4.686 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 33457104 COIUEWSJYOQIDJ-UOSKESRZSA-N 498.948 4.606 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4OC)c3C)C(=O)N=C2S1 34895263 HEKIOWVJDJNMTG-JKGLIZDUSA-N 465.579 4.921 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCCc1ccccc1 206469074 HNQUAHTXYOAMKT-HYARGMPZSA-N 485.627 4.717 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1[N+](=O)[O-] 1860084578 VCMRKMSYQPQUPJ-VIZOYTHASA-N 451.869 4.571 10 10 JJCE CCc1sc(NC(=O)[C@@H]2CCCCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866039226 WORQTZAUYGOUOC-AWEZNQCLSA-N 451.386 4.607 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(F)c(F)c1 1873883717 LZAJRZUMQGFVHN-UHFFFAOYSA-N 470.479 4.881 10 10 JJCE CCN1CCc2cc([C@@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163123662 NWFPRDGEIAMXQH-RUZDIDTESA-N 464.654 4.628 10 10 JJCE C[C@H](c1ccccc1O)N(C)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2180814621 XWLSCNSENHMSJT-NFQMXDRXSA-N 468.594 4.756 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 2293934542 GYERXLZTPNRLGL-UHFFFAOYSA-N 492.557 4.758 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1 2297298391 HBLYZXUTGWWKTD-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 2297309342 HEBHOVHLLDPROK-UHFFFAOYSA-N 457.269 4.501 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352765 UJUPLRWSMVYWHZ-UHFFFAOYSA-N 489.601 4.727 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCc2cccnc2)cc1 2313683173 TUUOAIDTGBHMCN-UHFFFAOYSA-N 455.543 4.515 10 10 JJCE C[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414394 XVXYTXDNDIESNX-MRXNPFEDSA-N 494.617 4.614 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N=c3[nH]onc3-c3cc(C)ccc3C)C2=O)cc1 2314817647 GIUZVDVVFQHTDI-UHFFFAOYSA-N 492.626 4.704 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 14550790 OYRXBJKVYMHNBO-IMSXRSKXSA-N 453.564 4.842 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCCC3)nc12 33469391 GMBBAKDEUXZJRK-CPNJWEJPSA-N 497.045 4.658 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989565 GVRBZAZXQIRTGD-SJJRUYGKSA-N 486.707 4.829 10 10 JJCE CCCCC1(C)OC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C(=O)O1 59513144 KDZOQEOJAWALSQ-UHFFFAOYSA-N 486.433 4.694 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 210719746 LQECDZZDFOQEPV-HMMYKYKNSA-N 468.600 4.792 10 10 JJCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4CC)c(C)s2)cc1 1859574079 OIMSBTBCUQPAIZ-UHFFFAOYSA-N 471.604 4.617 10 10 JJCE C[C@@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)c1ccccc1 1860347532 UXWNONNUKSOVKD-GDJIYFAZSA-N 464.569 4.666 10 10 JJCE CC[C@](C)(NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866825348 MSXAKJBUBYDENX-LJAQVGFWSA-N 493.519 4.654 10 10 JJCE CCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870612267 UKUSTMOQGWWIEH-UHFFFAOYSA-N 453.627 4.714 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873164688 NKQATPYHLPDYNT-UHFFFAOYSA-N 487.600 4.651 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873168422 UYLMNIQUNSWMNE-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE COCCN1C(=O)C(Nc2cc(C)c(Cl)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420835 WYFSMOHIDMXDQE-UHFFFAOYSA-N 493.991 4.903 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426175 VDQTVQITEVEWIV-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 2053508998 KQKUDSWXDACLJK-UHFFFAOYSA-N 474.586 4.631 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079861441 KHPFXQIMBYNWPJ-OAHLLOKOSA-N 477.277 4.945 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079998866 DMZSARJBJVCFRC-GOSISDBHSA-N 481.378 4.812 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(NCc3cc(Cl)cc(Br)c3O)C2)C1 2280164850 MKGYTHUGJHNJFU-VEAWUBTESA-N 459.812 4.933 10 10 JJCE Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287600258 ZOAXQKFQSUAOLE-PKOBYXMFSA-N 475.630 4.695 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4cccs4)C3=O)c2C)ccc1Br 2296179653 OMHGCMUYDIYGFK-UHFFFAOYSA-N 498.402 4.889 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(F)(F)F 2296882274 MTAVFIHBODWXAQ-UHFFFAOYSA-N 480.489 4.664 10 10 JJCE COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2313682953 OJLQDQXFBDNMEQ-UHFFFAOYSA-N 473.529 4.858 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 2332139159 AUUXXSOZIUYNRS-UHFFFAOYSA-N 463.578 4.837 10 10 JJCE CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1=O 8891454 MJOYUWWZPQDZCZ-SANMLTNESA-N 499.489 4.875 10 10 JJCE CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)c(OC(C)C)c1 33291452 FKGLRISPWBXIPW-DEDYPNTBSA-N 472.383 4.544 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1 33456836 LXSVJQUQDZCQLW-OLXQSXLYSA-N 474.951 4.658 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)c1 39835897 HLQBUBJCQKDPMM-XDHOZWIPSA-N 465.600 4.961 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 96450473 CJQYHTQBSFSGBH-SCORJZKRSA-N 496.614 4.710 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 96450633 UFDXWQVRCNMFIO-GOPRIXMCSA-N 486.600 4.696 10 10 JJCE N=C1/C(=C\c2c(-c3ccccc3)nc3sc(C4CCCCC4)nn23)C(=O)N=C2SC=NN12 102470834 RIELBXOJJFUFGP-XTZGGVIGSA-N 461.576 4.754 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526190813 QRDFAMWFVOJAQE-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE CC[C@@](C)(NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867897031 PMAQKGFTNPJJGT-LITSAYRRSA-N 478.681 4.611 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCC(C)C)CC2)cc1 1870469206 JKXFXWRAWMFJCV-UHFFFAOYSA-N 475.633 4.804 10 10 JJCE COCCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419912 FBXOOWPXYSELFJ-UHFFFAOYSA-N 479.964 4.595 10 10 JJCE COCCCN1C(=O)C(Nc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420416 NVZMPKTUILLBEP-UHFFFAOYSA-N 457.574 4.939 10 10 JJCE O=C(O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951650122 LNICSOIKODQECX-NRFANRHFSA-N 463.486 4.638 10 10 JJCE CC(C)(C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951690927 RHFCTSPTNQLJFO-DEOSSOPVSA-N 461.514 4.658 10 10 JJCE CN(C)c1ccc([C@@H](NN)c2sc(Br)c(Br)c2Br)cc1 2238979010 ZPXVVVJXGIBPKY-LLVKDONJSA-N 484.055 4.654 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2294134097 SHDHFGYBODAZAO-UHFFFAOYSA-N 472.240 4.828 10 10 JJCE O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 2296160354 KUIYBVKIRXGJMS-UHFFFAOYSA-N 473.642 4.816 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 2296808129 VXYHXWUQKDFZEA-UHFFFAOYSA-N 480.550 4.676 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc(Br)cc4)c3)C(=O)N=C2S1 2297306525 SMXSWBRHKYGORL-UHFFFAOYSA-N 499.390 4.936 10 10 JJCE CC(C)Oc1cccc(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1 2321684642 BNSZBFACDNHBIY-UHFFFAOYSA-N 453.633 4.631 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(Br)ccc2O)[C@H]1C(F)(F)F 2370318271 UECAZVFWSIIVJP-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCC5(CC4)OCCO5)cc(Nc4ccc5c(c4)OCO5)c1c23 9780122 PALDVUATPHVLIY-UHFFFAOYSA-N 497.507 4.855 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461031 PXNVTORGQHRGAU-CKJXQJPGSA-N 463.397 4.670 10 10 JJCE CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892730 PIRMMIVYNMPGMY-KRWDZBQOSA-N 497.503 4.606 10 10 JJCE CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 727170792 YVRBGKVDJUXZBR-UHFFFAOYSA-N 487.021 4.919 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)C1 1286844113 DCDUSUDMYUFXHM-QGZVFWFLSA-N 491.086 4.542 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)cccc21 1860603221 AUFJARRDQUKPSR-UHFFFAOYSA-N 478.957 4.668 10 10 JJCE CCc1sc(NC(=O)c2ccc(O)cn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865963605 ZXIVXFCDMKGVDK-UHFFFAOYSA-N 461.337 4.880 10 10 JJCE CCOc1cccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952830627 YAHYPNNAIPALQA-WXVAWEFUSA-N 459.498 4.629 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2079021875 BIACLWUCZBUOFS-AWEZNQCLSA-N 468.335 4.729 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 2294133763 IHMCMYFBPREEGS-UHFFFAOYSA-N 476.916 4.984 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 2294593254 PDDBVJPOBQBTLM-UHFFFAOYSA-N 484.295 4.942 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@H](C)CC)C1=O 2296547608 LHXUHAAOUZZUOU-MRXNPFEDSA-N 458.653 4.629 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2297469122 NTRAUECPVFOOHM-UHFFFAOYSA-N 460.950 4.810 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1 2313548993 KXEBNULGGFCABK-UHFFFAOYSA-N 456.498 4.557 10 10 JJCE CCOC(=O)c1cccc(N2C(=O)C(=Cc3ccc(O)c(Br)c3)SC2=S)c1 2314732765 XCOVYAVLQJTEPC-UHFFFAOYSA-N 464.362 4.737 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)c1 2321629449 YXFVOTWGAXPLJN-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1ccc(N(C)C)cc1 15834369 IECAEXNYEBGYQB-RUZDIDTESA-N 491.595 4.584 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)sc2c1CCCC2 21348790 NLIUSVQYZMXKRU-CQSZACIVSA-N 460.983 4.757 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1OC 27572626 WUVSWKOZTCFTRQ-ALFOBDEZSA-N 479.558 4.719 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 33315634 GIJJPJOEPOYPMA-HAVVHWLPSA-N 498.535 4.590 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)ccc1OC 33323176 JNRNZJKFXLJVRU-GDNBJRDFSA-N 459.296 4.672 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454522 BXTVIDOZVFBRCN-KGENOOAVSA-N 480.659 4.593 10 10 JJCE CCCCOC(=O)c1ccc(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 33939702 YGOSBJVQBRYEAT-RGEXLXHISA-N 454.573 4.727 10 10 JJCE C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 39858258 WFMDJGUIRVKERJ-CYBMUJFWSA-N 450.288 4.631 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 54201754 VZXCZFGJSDYAEB-DQEYMECFSA-N 497.624 4.931 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccc(C)cc2)[C@@]12C(=O)Nc1ccccc12 503996146 TTXBHBPHACKKMI-MHTMXISKSA-N 478.548 4.566 10 10 JJCE biogenic COc1ccc(N2CCN(Cn3nc(-c4ccccc4)n(Cc4ccco4)c3=S)CC2)cc1 915795622 DSOATXOICSCORX-UHFFFAOYSA-N 461.591 4.511 10 10 JJCE CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c2)SC1=S 915838409 CXXROGRPYZQELH-GRSHGNNSSA-N 493.006 4.596 10 10 JJCE Cc1ccc2nc(Sc3ccc(/C=C4/C(=O)NC(=S)N(c5ccccc5F)C4=O)o3)[nH]c2c1 1084091356 DBOSFCZEAUIPSI-KAMYIIQDSA-N 478.530 4.586 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 1858592837 YVEUUENWTRZZAV-AHSSXEFNSA-N 454.356 4.596 10 10 JJCE CCOC(=O)c1c(NC(=O)c2csc3ncn(C)c(=O)c23)sc(C)c1-c1ccc(OCC)cc1 1860402349 OWNUIVSLCVECTC-UHFFFAOYSA-N 497.598 4.860 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncccc2C)sc(C)c1-c1ccc(OCC)cc1 1860747983 DWLCBCSHRIVQNH-UHFFFAOYSA-N 467.547 4.580 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCC(C)C)sc(C)c1-c1ccc(Br)cc1 1860758181 FKTJNZATJGEGTH-UHFFFAOYSA-N 481.412 4.764 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862338360 XBBZBMFLKJTOLG-UHFFFAOYSA-N 498.583 4.528 10 10 JJCE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C1CCn2c1nc1cc(C(=O)O)ccc1c2=O 2040461512 UCZFOBIJXYVXJB-UHFFFAOYSA-N 467.312 4.840 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079954595 OFFAXFPEDXDNJG-GOSISDBHSA-N 468.335 4.549 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C(C)(C)C)cc1C 2080035139 QOQCTGXBISJGRE-CQSZACIVSA-N 495.283 4.563 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)cc1OC 2296053635 QPIFBKYQGCWOER-UHFFFAOYSA-N 499.596 4.973 10 10 JJCE O=C1OC(c2ccc(F)cc2)=NC1=Cc1cccn1CCOc1ccc(Br)cc1 2297364328 PVQXJITYISEGBM-UHFFFAOYSA-N 455.283 4.813 10 10 JJCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c1)C(=O)O 2314930423 CWXWPTCVBCZYAF-NSHDSACASA-N 464.362 4.707 10 10 JJCE CN[C@H](C)c1cnc(Sc2cc(I)ccc2Br)s1 2316407060 PAQXGLGZNCVCGS-SSDOTTSWSA-N 455.184 4.942 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cccc(Br)c2O)[nH]1 2362656156 XUNMBBZPHBKGHR-OAHLLOKOSA-N 456.406 4.867 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)cc1 15044864 GTXWERUMEHAWAP-MNDPQUGUSA-N 476.664 4.727 10 10 JJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3ccc(Br)cc3)C2=O)c1 34138487 MWSBMRHFRGXBOL-LICLKQGHSA-N 465.394 4.737 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 39875029 DKWRYQYEGGEGOA-WQRHYEAKSA-N 485.612 4.544 10 10 JJCE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1Br 155784143 XWXDDKGZEHJRPR-UHFFFAOYSA-N 455.555 4.680 10 10 JJCE CCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 206468908 QZSLGJWARLNVIH-OQKWZONESA-N 485.627 4.861 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]32)cc1 253570819 ODAYRFNUUYUWNW-SMIHKQSGSA-N 497.522 4.818 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526157841 BLFXISNGQOUXFK-AREMUKBSSA-N 488.540 4.598 10 10 JJCE CC(=O)c1cc(F)cc(CN(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1O 1197728837 QAFSCXOZXQZKIF-UHFFFAOYSA-N 450.938 4.914 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356473 FTRBYUVXZLCNQM-WQMJKPAKSA-N 453.764 4.585 10 10 JJCE Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860549802 ZOHGJAHEKSFIMO-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE CCCC[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862139543 AMDZNMXTZITHMO-DSSBQZGFSA-N 477.649 4.856 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C(F)(F)F)ccc3[nH]2)N2CCCCC2)cc1 1866557899 OUELHXSOOCJOTA-HSZRJFAPSA-N 486.538 4.570 10 10 JJCE CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867869156 VZYFOBVUNXMFJV-KAYWLYCHSA-N 492.708 4.902 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOCCCC)C1=O 1873164638 KOSWXGBQFKCQNF-UHFFFAOYSA-N 451.611 4.771 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873169277 IEXYMIHHWIDIJY-UHFFFAOYSA-N 493.611 4.546 10 10 JJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425718 CLYKKCTWGOQIEV-UHFFFAOYSA-N 495.583 4.569 10 10 JJCE O=C(N[C@@]1(c2cc(Br)ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952773788 ACVSSBJANVJYMP-PXDATVDWSA-N 494.341 4.993 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079139220 RZTNIFJUKRDHMP-MRXNPFEDSA-N 454.308 4.713 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C12CCC2 2175028251 YVKYSJIORQLRSR-CJNGLKHVSA-N 459.812 4.981 10 10 JJCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 2302714968 BNZRUHKLJRNLLI-GOSISDBHSA-N 459.550 4.997 10 10 JJCE Cc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 2313559833 XAQWLMLOBMOBCQ-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc(F)cc1 2314831497 MJHQARJHUYHZJE-UHFFFAOYSA-N 450.944 4.805 10 10 JJCE CC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)cc1 2331592440 JVDMORUGNCYRRL-UHFFFAOYSA-N 468.600 4.764 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NCc4cccs4)c4ccccc34)C2=O)cc1 1132475 XYVCMJKNCLVJJV-LPYMAVHISA-N 498.564 4.834 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc1)CCCC2 9153306 LCEPLJOIOUELND-UHFFFAOYSA-N 474.624 4.746 10 10 JJCE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)COc1ccc(Cl)cc1 19855496 LJILISWLOUPRLA-UHFFFAOYSA-N 462.937 4.736 10 10 JJCE Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)n3n2)cc1 33274937 WEDOAAVAUICWIG-UHFFFAOYSA-N 482.632 4.612 10 10 JJCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35518787 MLSOIHBGAKIFQI-LTGZKZEYSA-N 492.626 4.603 10 10 JJCE CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 210031747 AOHCAQYWILSLGI-KGENOOAVSA-N 463.584 4.922 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 210967572 HVNAYNIYIOOKTL-KWPCUBQOSA-N 457.573 4.901 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526303461 YZFGRSMWNSIXMK-NRFANRHFSA-N 453.878 4.826 10 10 JJCE O=C(N[C@H](C(=O)O)c1cc(Br)ccc1O)OCC1c2ccccc2-c2ccccc21 642885051 XYXSXPICKXESAD-NRFANRHFSA-N 468.303 4.819 10 10 JJCE Cc1cccc(CNc2cc(I)cc(I)c2)c1O 690338725 JAXOCXWHTOTUBS-UHFFFAOYSA-N 465.072 4.522 10 10 JJCE CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c2ccccc21 1084183329 OIRSHTXORUYTSZ-GZTJUZNOSA-N 466.335 4.707 10 10 JJCE Brc1ccc([C@H](Cc2ccccn2)NCc2ccc(N3CCOCC3)cc2)cc1 1658336621 MLLICQPEFXQIEG-DEOSSOPVSA-N 452.396 4.754 10 10 JJCE CC[C@H](C)OC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827093 RHYYKQRHKSGEGW-GNVFRLJNSA-N 474.604 4.610 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)CCC(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 1865944466 QGWNPUAWEXXNTL-QHCPKHFHSA-N 486.454 4.821 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4[nH]3)cc2)cc1 1866171211 GLRDIKYMJFFLKF-UHFFFAOYSA-N 450.292 4.917 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(Cc3ccco3)C2=O)cc1 1873164397 ZWYRVPLPRPFMMD-UHFFFAOYSA-N 457.555 4.819 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CC(C)C)C2=O)cc1 1873423883 KKTRUUGKMWSCBO-UHFFFAOYSA-N 453.546 4.818 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cc5ccccc5n4C)c3)CC2)cc1 1874738787 CBHGQJMAQITFCG-UHFFFAOYSA-N 497.595 4.801 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)cc1C 2079999279 WDSZYWIGHSXHSM-IBGZPJMESA-N 450.320 4.890 10 10 JJCE COc1ccc(C(=O)Oc2ccc(C=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)cc2)cc1 2293202016 NCAUQWZFVSMEDR-UHFFFAOYSA-N 457.442 4.629 10 10 JJCE CCCCCC1=NN2C(=N)C(=Cc3ccc(-c4ccccc4C(=O)OC)o3)C(=O)N=C2S1 2293648575 TUDNNJGCNZWPHK-UHFFFAOYSA-N 450.520 4.933 10 10 JJCE CC[C@@](C)(NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330441358 ZMYDGPDSGHGSOZ-RUZDIDTESA-N 490.431 4.649 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461207 LBNVVMJNQACTNQ-ULYRPOKDSA-N 457.368 4.748 10 10 JJCE CN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)SC1=S 20220045 UKXRYYKMVQLGTI-YBEGLDIGSA-N 467.353 4.701 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 33317036 GNHSGEPAOHQVRY-WJDWOHSUSA-N 450.447 4.764 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33383657 INYVQNWPLNOJQV-BJMRFWQKSA-N 476.627 4.647 10 10 JJCE O=C(O)c1ccccc1C(=O)Nc1c(Cl)cc2c(c1Br)C(=O)c1ccccc1C2=O 39899510 RAMVFCLGJJFVRH-UHFFFAOYSA-N 484.689 4.828 10 10 JJCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989704 KUWDOKRFEGPRBC-JHDSZEHQSA-N 484.691 4.819 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OCC 40940689 WSRBXOLUIVWKBJ-ZHZULCJRSA-N 456.589 4.729 10 10 JJCE CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)C(O)=NC1=S 59182227 DCRIUEVAFUZGGD-RQZCQDPDSA-N 454.349 4.549 10 10 JJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 210894842 FSSUXLAXRQHJDS-LICLKQGHSA-N 482.505 4.610 10 10 JJCE CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccc(N=Nc2ccccc2)cc1)C(=O)O 255973625 GDWCICAVNWGMDQ-FCHUYYIVSA-N 466.538 4.819 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526553633 VCTPAJOTXBQAQD-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)cc1O 687752899 XENGIPCJWXPENQ-RUZDIDTESA-N 453.441 4.899 10 10 JJCE Cc1cc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)n1-c1ccccc1 746426175 MXAHTKWAICTYFH-UHFFFAOYSA-N 465.544 4.583 10 10 JJCE COc1ccc(-c2cc3nc(CN(Cc4ccccc4O)C[C@@H]4CCCO4)[nH]c(=O)c3s2)cc1 797688325 FTUZIAJMODTEGA-FQEVSTJZSA-N 477.586 4.547 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C(F)(F)F 1865678575 SOTGXTZOLJKQAW-ZSOIEALJSA-N 485.256 4.823 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 1866023473 VHMXSJWVPMQYJG-SANMLTNESA-N 477.520 4.907 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868696454 JLBYNGRSZWKVPE-CUNXSJBXSA-N 479.665 4.802 10 10 JJCE CN(CCN(Cc1ccccc1)c1cc2c(cc1Br)[C@H](N)C(=O)N2)Cc1ccccc1 1946821192 GBYJBOMPEKCCAE-DEOSSOPVSA-N 479.422 4.540 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3CCC[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2040469213 DBBZRSGMXKCRDJ-KRWDZBQOSA-N 470.664 4.712 10 10 JJCE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 2053494575 YBPMQJBWUJCIPL-UHFFFAOYSA-N 488.613 4.877 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2078999231 MFQMXNHHOWWGDW-MRXNPFEDSA-N 454.308 4.713 10 10 JJCE COC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1I 2079928637 IYUBPQPTMZBPDK-INIZCTEOSA-N 456.324 4.541 10 10 JJCE Cc1c(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)n(C)c2ccccc12 2205549972 QNURTPOAOZJUCN-QHCPKHFHSA-N 462.638 4.698 10 10 JJCE C[C@H](COCc1ccccc1)C[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2270552108 IYWWEVLCVGKMLR-OFVILXPXSA-N 453.627 4.987 10 10 JJCE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 2313621374 HZJHXCQUNIFPSJ-UHFFFAOYSA-N 451.617 4.725 10 10 JJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682367 BBHZZQIYQWLJKJ-UHFFFAOYSA-N 456.458 4.518 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc(OC)c1OC 2323882131 FUBLLXLYIIJVOS-IBGZPJMESA-N 484.643 4.751 10 10 JJCE CCCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 8713869 JXLXUASCCRKUSP-PTNGSMBKSA-N 488.425 4.703 10 10 JJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15045624 LPMDCMKJXQLMEM-NJPLLEPOSA-N 477.405 4.692 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N(C)C4CCCCC4)c4ccccc4n3)CC2)cc1 23431488 SAWACTXLRWTXIA-UHFFFAOYSA-N 458.606 4.975 10 10 JJCE CCC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)[nH]c2ccccc12 38172263 IECPWMDLJMMQCC-QGOAFFKASA-N 480.977 4.562 10 10 JJCE CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40066941 AHXDOVLQSPNOTK-MOSHPQCFSA-N 466.632 4.662 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 95547690 XAKWTTNQONCLNI-OYKKKHCWSA-N 456.546 4.551 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(CN2CCOCC2)c1 110738973 OXVVQQRUVSXLRT-NDEPHWFRSA-N 452.554 4.897 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526343456 JHOBMDZSNYSMGK-RUZDIDTESA-N 477.513 4.959 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)ccc(N)c2C1 702105328 CQDXNQNVZJSGNO-PIKZIKFNSA-N 462.638 4.520 10 10 JJCE Cc1cc(CCNC(=O)c2ccccc2SCC(=O)N2CCCC2)c(C)n1-c1ccccc1 746425315 HVKUMEFOKOGTIB-UHFFFAOYSA-N 461.631 4.781 10 10 JJCE O=C1N/C(=C/c2c(Cc3cccs3)nn(-c3ccccc3)c2O)C(=O)N1Cc1cccc(Cl)c1 1082766797 MSVVTPCAQGUFQO-HYARGMPZSA-N 490.972 4.977 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3ccc4nc(O)c(-c5ccccc5)cc4c3)CC2)cc1 1858118135 ADYFLYIAVBTNAH-UHFFFAOYSA-N 467.569 4.897 10 10 JJCE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccc1 1871196220 SJZYJDAWPGACLK-UHFFFAOYSA-N 498.583 4.604 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873166629 UAEIRDMMOAQUPV-SANMLTNESA-N 483.612 4.575 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(C3CCCC3)C2=O)cc1 1873167611 PIYGVAQISLBBCY-UHFFFAOYSA-N 474.649 4.582 10 10 JJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873167805 YIWYSMQOUFNMIO-UHFFFAOYSA-N 464.654 4.542 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168592 ASHMRNLNVKJHKZ-QGZVFWFLSA-N 467.573 4.639 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873170064 NAKHSNUGSYBTGG-NLFFAJNJSA-N 485.632 4.629 10 10 JJCE CN1CCc2cc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C(=O)O)ccc21 1952742429 KOKGYUYVIJVOEB-YWEHKCAJSA-N 454.526 4.517 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053513749 VGFVLUHLLIEBFX-INIZCTEOSA-N 476.532 4.564 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2078999734 UTZAJPCMQHYRQJ-KRWDZBQOSA-N 467.351 4.504 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079993700 VYFUZKUWCIFEOR-QGZVFWFLSA-N 484.334 4.501 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079998714 BYFHMLHWSNEMDM-GOSISDBHSA-N 484.334 4.501 10 10 JJCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2241049228 LEIAZJCNOAEIOP-WPUCRFQZSA-N 459.812 4.980 10 10 JJCE COCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 2293115895 GJWCPHBOMZJDBG-UHFFFAOYSA-N 452.605 4.610 10 10 JJCE CN(C)c1ccc(C=C2SC(=O)N(C[C@H](O)Cn3c4ccccc4c4ccccc43)C2=O)cc1 2297285933 JZADFPFBJZYURE-HXUWFJFHSA-N 471.582 4.958 10 10 JJCE COc1ccc(OCc2cccc3ccccc23)c(C=C2C(=O)NN(c3ccccc3)C2=O)c1 2297360195 VTYIQSHMWCPPIQ-UHFFFAOYSA-N 450.494 4.889 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 2313548978 KODCQVPYYIHMKW-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)NCc2ccccc2)C1=O 2314837778 WOVHFKRMTWJJOM-UHFFFAOYSA-N 454.617 4.773 10 10 JJCE CCCC[C@@H](NC(=O)C=C(C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329499737 BEXPGGGETNELSJ-HHHXNRCGSA-N 477.649 4.685 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2367057232 RDJFEGHXBIKDAC-BHIFYINESA-N 476.662 4.558 10 10 JJCE COc1ccc(C(=O)Nc2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)oc3ccccc23)cc1 9228440 DWSNLQDJMBQSDP-UHFFFAOYSA-N 485.540 4.665 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc(Br)c1O 38169701 BAHWDLGBNVSDJN-MLPAPPSSSA-N 481.755 4.878 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1 226833181 IPWYCTZWFPAMLP-YDIMBITNSA-N 469.563 4.738 10 10 JJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 250574779 FHOPMMGBFLXLCQ-FHAGJXEFSA-N 477.542 4.952 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526261791 QUECCDUCRNICBJ-VWLOTQADSA-N 475.497 4.765 10 10 JJCE Oc1c([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)ccc(Br)c1F 575303032 VCFUQVDLURDISC-MRXNPFEDSA-N 450.226 4.614 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCSCC(C)C)CC1 1596166471 TXWMSINSDNWTTI-UHFFFAOYSA-N 494.709 4.800 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 1772759687 YULMISQBZKOLEJ-MJDDCBMWSA-N 453.545 4.770 10 10 JJCE COc1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860344940 JAVUUFMENJTAKT-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1862310943 MIKAMWFIVQFDMK-UHFFFAOYSA-N 466.585 4.629 10 10 JJCE CCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421484 AMTLDWSQXRQAOA-UHFFFAOYSA-N 459.546 4.713 10 10 JJCE Cc1ccc(C(C)C)c(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 2296552176 RNHQPRAKAFZETP-UHFFFAOYSA-N 475.520 4.804 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c1 2296705117 RNHOYMKTWGKXSJ-UHFFFAOYSA-N 479.583 4.532 10 10 JJCE COc1cc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1Cl 2297470132 HREWUSGTGQRXEV-UHFFFAOYSA-N 490.010 4.704 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NC3CCCCC3)nc12 2314413906 LLTXKRQYXVWXFN-UHFFFAOYSA-N 468.648 4.891 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OCC 2314769265 WSRBXOLUIVWKBJ-UHFFFAOYSA-N 456.589 4.729 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(Cl)cccc2Cl)N3)CC1 14546735 KEQMGSLSEAZXFF-SAHWJRBASA-N 478.445 4.756 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 15039927 LQECDZZDFOQEPV-HKWRFOASSA-N 468.600 4.792 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 16906177 NJAGEGJGQNENFX-QGOAFFKASA-N 472.588 4.654 10 10 JJCE Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(O)=NC2=S)c1 33342727 RIZDGONQIHKFAD-MTJSOVHGSA-N 460.515 4.982 10 10 JJCE CN(C)N=Nc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccccc2)C(=O)/C=C/c2ccccc2)cc1 263625527 PRBZBDMKTXSLLA-YFUJDCJBSA-N 488.569 4.718 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526285006 RLJZJZDIERHEGX-QFIPXVFZSA-N 493.903 4.702 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526415083 ANLVUDMXRFTEGE-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccccc1)S(=O)(=O)c1ccccc1 586194452 LHXBGFAVLKYPTQ-UHFFFAOYSA-N 453.519 4.858 10 10 JJCE COc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1NC(C)=O 917636510 BNAZKODJKQBJEM-QFIPXVFZSA-N 457.490 4.813 10 10 JJCE C/C(=C/c1ccccc1)CN(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1458970130 WIVHLTBJUIAGHN-WANMUPLOSA-N 454.592 4.979 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc(OC)c1O 1865679726 CRSOGTDPJJISAR-WDZFZDKYSA-N 458.795 4.546 10 10 JJCE C[C@@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(Cc3ccccc3)n2)CCO1 1868208938 OGLBMMQBWUWCIC-LJQANCHMSA-N 490.563 4.812 10 10 JJCE CCOc1ccc(C(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874751130 UAHKWKPUZNUVSB-UHFFFAOYSA-N 487.600 4.741 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Br)c2O)C[C@@H]1C(F)(F)F 2279274585 JFHYCIFXJFJTGM-TZMCWYRMSA-N 453.299 4.575 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CNCc2ccc(F)cc2)c2ccccc12 2296203279 WATPQMAWQGUGBL-RUZDIDTESA-N 482.559 4.737 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560136 KTBQQTVVIZZPAT-UHFFFAOYSA-N 470.573 4.949 10 10 JJCE O=C(COc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1ccc(F)cc1 2314487217 OAWBNORJTZBACO-UHFFFAOYSA-N 468.531 4.838 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 2314563122 DKWRYQYEGGEGOA-UHFFFAOYSA-N 485.612 4.544 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314837299 QRPCENGFJDULML-LLVKDONJSA-N 452.479 4.639 10 10 JJCE CC(=O)Nc1cccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)c1 2321683209 AJMJVDDOARAALN-UHFFFAOYSA-N 451.342 4.952 10 10 JJCE CCN1C(=O)/C(=C/c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 34702102 LGCMVDLTQWHUBD-SXGWCWSVSA-N 461.477 4.525 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1OC(=O)c1ccco1 96450654 LJWIYKARCGCQOA-XJWHVNBWSA-N 498.586 4.863 10 10 JJCE CN(C)c1ccc(/C=C2\C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1Br 102464916 DRNHHXBDZBQUBL-BEBMFCDBSA-N 471.355 4.958 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(OCc2cscn2)c1 726565187 FPGKVDITCXWDQY-UHFFFAOYSA-N 459.518 4.722 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCn1ccnc1C 1705478429 BGIVEMCKZDHWNN-FQEVSTJZSA-N 455.610 4.796 10 10 JJCE CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1ccccc1Cl 1862307049 MYOOYSLCDXFVKA-UHFFFAOYSA-N 452.986 4.508 10 10 JJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C1=O 1866307150 HFUBNEBEDQEWNX-UHFFFAOYSA-N 497.595 4.583 10 10 JJCE CCOCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870908375 WGTQPDRRDZGMPG-UHFFFAOYSA-N 493.604 4.961 10 10 JJCE CCCCNC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870952424 VTGBIMGYSXDSSY-UHFFFAOYSA-N 492.620 4.536 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873167005 OAIHNSYKEVZBNF-UHFFFAOYSA-N 459.977 4.822 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1C 1873420986 ATNSCAIOQCNIJG-UHFFFAOYSA-N 470.617 4.855 10 10 JJCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2106868902 ZGSJWPLPOANJKW-BTZRARBUSA-N 453.627 4.828 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc(N)c2C1 2168786987 XVIKHXHLRYSGHO-VXKWHMMOSA-N 462.638 4.520 10 10 JJCE CN(c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O)C1CCCCC1 2296701574 DXCOGKAAYIUQGK-UHFFFAOYSA-N 490.654 4.865 10 10 JJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccc(-c2ccc(F)cc2)o1 2296928164 WMMCTGBVEYMRKO-UHFFFAOYSA-N 478.505 4.786 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)ccc1Br 2313549101 NHIVTTDZHDZFBE-UHFFFAOYSA-N 467.344 4.849 10 10 JJCE CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=S 2313609662 LDPCUJORZHCVJP-UHFFFAOYSA-N 460.386 4.767 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2314509791 YWOHPFKGXUUOHT-CYBMUJFWSA-N 455.536 4.626 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(O)c(Br)c3)SC2=S)cc1 2314732797 ZLTSMXGYDNZZEP-UHFFFAOYSA-N 464.362 4.737 10 10 JJCE CCCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105258 MQVOXXAMMMQITH-UHFFFAOYSA-N 498.023 4.642 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14458875 HUAJTCFMISEHKP-BERHBOFZSA-N 476.598 4.748 10 10 JJCE COc1ccc2ccccc2c1[C@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@H]2C=CC[C@@H]21 14544138 SPSWLRMKYKXXNU-BERHBOFZSA-N 476.598 4.696 10 10 JJCE Nc1ccc(CC(=O)Nc2c(Br)cc(Br)cc2Br)cc1 20504261 NITCQVSLVWFUFX-UHFFFAOYSA-N 462.967 4.738 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 33424312 IYSOCPQCIUQCAH-JKGLIZDUSA-N 493.545 4.992 10 10 JJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(OC)c1 59198324 FYOZDZFARJGXHY-WQRHYEAKSA-N 472.339 4.811 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)cc1 213179719 WTQALBODPATRCZ-AQTBWJFISA-N 451.573 4.579 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@@H]1c1ccc(N(C)C)cc1 526480688 NXCIOXGBJZHTOV-VWLOTQADSA-N 488.540 4.614 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1 1084210692 OBRGNGSXODEEMU-JCMHNJIXSA-N 470.525 4.948 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873167501 KJOZCMNXFQCXKX-NBGIEHNGSA-N 476.665 4.684 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169470 NRWYOHPHTGWYGY-SFHVURJKSA-N 481.600 4.681 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2079007392 SATHIJABPUENNN-LJQANCHMSA-N 450.320 4.971 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=O)c2I)c(O)c1 2079026827 JMBNVULUFVROAT-KRWDZBQOSA-N 450.320 4.755 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080029712 CBYQDPDJXLMOPF-SFHVURJKSA-N 467.395 4.956 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)cc1C 2080053254 SHRSTBMNHUJRJB-HNNXBMFYSA-N 476.261 4.835 10 10 JJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 2294092626 AFTSMAGAGWSXRW-AWEZNQCLSA-N 457.324 4.601 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1C 2296706814 WMUKRYAWUQFFSM-UHFFFAOYSA-N 493.610 4.922 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296728819 XEXNVVSSFLCAGS-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1 2296756160 FBYDDSQSTCBIST-UHFFFAOYSA-N 468.600 4.792 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 2296943143 YUOKVSNAVXPMKU-UHFFFAOYSA-N 451.567 4.750 10 10 JJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141033 DBJAMSGRZVCUAF-UHFFFAOYSA-N 491.887 4.863 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15044843 GQLMYVOZGNWUBO-HKWRFOASSA-N 487.647 4.691 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 33590874 FXPAQVKUNMCVAK-UOEVCUDDSA-N 494.642 4.623 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1 33591058 XXOFAZZPMUZOSK-SFQUDFHCSA-N 462.424 4.619 10 10 JJCE COCCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)ccc2c1=O 72043668 UXXUWTVZEBOZEP-UHFFFAOYSA-N 494.661 4.794 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1[N+](=O)[O-] 102838320 RFKAFIQYNUIXAF-XDHOZWIPSA-N 466.544 4.677 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 206872779 JMWACIJAAXNWRL-FMQUCBEESA-N 460.621 4.528 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)C1 1301651316 UKRDKYRNGLLKHX-KRWDZBQOSA-N 491.086 4.542 10 10 JJCE CCOC(=O)c1c(NC(=O)C(C)(C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865995390 AOQYXIUPUFFDJB-UHFFFAOYSA-N 454.342 4.712 10 10 JJCE C[C@H](NC(=O)CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)C1CCCCC1 1866249418 DTUHVXPZKQOHNP-NVQXNPDNSA-N 470.702 4.651 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c4c(n5ccccc35)C(=O)c3ccccc3C4=O)cccc21 1874017946 ZJAVTKYEBQCLDW-UHFFFAOYSA-N 496.478 4.742 10 10 JJCE Oc1c([C@@H](c2ccccn2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Cl)c2cccnc12 2059179295 KHEYTFVKXZEGSF-SANMLTNESA-N 488.975 4.625 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294204888 PCSSGPWHLIHJIK-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2297471514 XRQUUUVEHWJXSU-UHFFFAOYSA-N 493.589 4.981 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccccc3I)SC2=S)cc1 2297577722 USJLOYBJZWGMRD-UHFFFAOYSA-N 453.326 4.706 10 10 JJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)cc2)SC1=S 2314759892 GHWYRIQLPLHVIX-UHFFFAOYSA-N 455.601 4.853 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1OCC 2323775034 QIBXJYPVROXPNV-UHFFFAOYSA-N 457.573 4.657 10 10 JJCE COc1cccc(OCCCn2cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c3ccccc32)c1 6182028 ISIQKTOLQRBOEC-OMYHDSEFSA-N 458.543 4.896 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(SCc4cccc(F)c4)c(N)c3)CC2)cc1 9490106 OFDKLRSCRRMOKW-UHFFFAOYSA-N 451.567 4.671 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1O 14456954 OTMRBJRGZHHTKU-BCQCSXDESA-N 476.598 4.748 10 10 JJCE O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1Nc1nc2ccccc2s1 14904677 LGFNKWYVPJWYDL-ZSOIEALJSA-N 464.391 4.993 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 15044440 RAVJPNXNBIUJRT-RGEXLXHISA-N 472.563 4.924 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 59106184 AOQIJEWNDRJIEO-ZSOIEALJSA-N 463.259 4.502 10 10 JJCE CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 101123570 QXAYEKHVROLRKJ-RCCKNPSSSA-N 489.582 4.816 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NCCOc2ccccc2OC)cc1 205965483 XBLIUYZSUOZBKX-XIEYBQDHSA-N 475.520 4.536 10 10 JJCE Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 213811679 NPROIODQJDOGJR-KHPPLWFESA-N 484.522 4.674 10 10 JJCE O=C1[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3O)N(Cc3ccccc3)O[C@H]2C(=O)N1C1CCCCC1 247856300 JYHMXYGDUORSPD-TUNNFDKTSA-N 475.372 4.874 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526478958 KBOMWXKQRQWEAD-RUZDIDTESA-N 472.541 4.995 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCSc2nccs2)[C@H](C)C1 1596172522 ROMHABOUPBXRBW-GOSISDBHSA-N 498.722 4.939 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccccc1 1860664791 BNUOYDRNCJMHCO-OAQYLSRUSA-N 491.613 4.715 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C3CCCCC3)s2)sc(C)c1-c1ccccc1 1860766953 FTYLFENEFSTVDA-UHFFFAOYSA-N 498.630 4.799 10 10 JJCE Cc1ccccc1NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827098 RPGJZEIIRRVZMY-FYJGNVAPSA-N 493.610 4.654 10 10 JJCE Cc1cc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2cccc(Br)c2n1 1866277821 LHAMKSWEBTYTCZ-NRFANRHFSA-N 478.394 4.625 10 10 JJCE CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870980936 AMUUVCSCZDCMKO-UHFFFAOYSA-N 472.545 4.512 10 10 JJCE N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)=NN12 2059064148 AEGFMMXHZWIWST-ZCEWHARLSA-N 459.369 4.878 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079983493 CENSDECIUJUAES-GOSISDBHSA-N 480.346 4.864 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079998016 KZROGPXAVPYCPW-IBGZPJMESA-N 479.362 4.566 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCOc2ccccc2OC)cc1 2313683310 XBLIUYZSUOZBKX-UHFFFAOYSA-N 475.520 4.536 10 10 JJCE CCCCOc1ccc(C=C2SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC 2314557581 PWUXTLIHIOLRCK-UHFFFAOYSA-N 469.582 4.806 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1OC 2323678304 XLHIHHWEOHIZOM-SFHVURJKSA-N 487.599 4.910 10 10 JJCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1cc(Cl)ccc1O)Nc1ccccc1-3 8587510 FDTWZLPGMILFEG-JOCHJYFZSA-N 484.943 4.569 10 10 JJCE Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c(C)c1 8608558 BCJDTHOAEVWTPQ-AREMUKBSSA-N 463.647 4.760 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238966 AKCBIRUIAJESFY-JGKMOTJLSA-N 453.480 4.529 10 10 JJCE CCN(CC)c1c(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1CC 33478226 NTSQQPFEEXJCCY-CJLVFECKSA-N 494.686 4.729 10 10 JJCE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 34988706 MGQKWEJHJBDYQO-UHFFFAOYSA-N 454.280 4.639 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694672 DPRHICVTUPBPMU-UHFFFAOYSA-N 487.497 4.893 10 10 JJCE C/C(NCCSCc1nc[nH]c1C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205954728 COTNXVCZUAXPDP-OQKWZONESA-N 488.642 4.876 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cc(C)c(C)cc1C 206825968 PXOBVFADUHYSJE-MTJSOVHGSA-N 471.600 4.875 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)ccc1OCC(=O)O 210457844 IDPZKZAUOWRWRG-STZFKDTASA-N 486.615 4.801 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526228014 XOJSENBVJLEKRY-AREMUKBSSA-N 490.556 4.844 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526229405 VPOLIUDOTLJGLH-SANMLTNESA-N 490.556 4.844 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1cccc(Cl)c1 1865679248 CQYSFEXSWOTSMF-ODLFYWEKSA-N 461.861 4.854 10 10 JJCE COC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1865989901 NAMRBGHFBRNFBJ-UHFFFAOYSA-N 487.375 4.641 10 10 JJCE CCC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867893722 UDNHWROBLRUWSM-RRPNLBNLSA-N 478.681 4.611 10 10 JJCE CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162296 OMBWCCUEXUNWJI-UHFFFAOYSA-N 452.558 4.508 10 10 JJCE COc1cccc(O)c1[C@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952819940 BFQANQJHJLOJRG-CJFMBICVSA-N 459.498 4.798 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])c1 2124511880 HZZZQAGKSPJVOI-CQSZACIVSA-N 471.299 4.553 10 10 JJCE CCN[C@H](c1ccc(N2CCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163159694 CXTDHOAPIWFCAH-CLJLJLNGSA-N 466.670 4.963 10 10 JJCE COc1ccc(OCCCn2cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)cc1 2297347549 GYGRCYQZKLLQAD-UHFFFAOYSA-N 456.502 4.569 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)c1C 2313548258 QGBXSTSYDOGUOI-UHFFFAOYSA-N 457.324 4.520 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831345 IYKDBILSMBXUHN-UHFFFAOYSA-N 460.964 4.658 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NCC(C)C)nc12 33351584 SGCHVHHJVDQLDU-XSFVSMFZSA-N 478.643 4.515 10 10 JJCE CCCCCC1(C)OC(=O)C(=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 58834082 FHBTUVADEXHFEE-UHFFFAOYSA-N 453.447 4.594 10 10 JJCE CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 103450364 GUCXPFVUYZDUEP-LTGZKZEYSA-N 468.538 4.950 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526382706 ULPLSGDBKIIJIC-SANMLTNESA-N 490.556 4.844 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)c2)CC1 1296481399 NGPANXRKAXWTGI-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE Cn1ccc2ccc(NC(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)cc21 1860343481 CQBUJRRBXCQTFF-UHFFFAOYSA-N 473.536 4.705 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(C)ccc2OC)sc(C)c1-c1ccc(F)cc1 1860747057 RJOWXGHVAXHEKI-UHFFFAOYSA-N 470.522 4.934 10 10 JJCE CCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867405028 RRWUPYNMWCGSRW-JWQCQUIFSA-N 485.072 4.648 10 10 JJCE CCCC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867899265 DHHWRNGRFLCXKT-SVBPBHIXSA-N 478.681 4.693 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1 1872742334 UPHOYVJBGQYVCB-UHFFFAOYSA-N 456.546 4.793 10 10 JJCE COc1cc(Cl)cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1951626644 XQGBXLWXHGEPSV-NRFANRHFSA-N 453.878 4.719 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N(c2ccccc2)C1=O 2313560285 OWNOTIZORCDYHF-UHFFFAOYSA-N 451.276 4.718 10 10 JJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 2314929117 HLCVACBSKBITDC-LLVKDONJSA-N 453.463 4.963 10 10 JJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 2321646886 XPDHMZGRPXSNFU-UHFFFAOYSA-N 450.954 4.980 10 10 JJCE CCNc1cc(N2CCN(c3ccccc3OC)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612281 VQEXZTKUAPZMMR-UHFFFAOYSA-N 454.530 4.806 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 15035637 WRHXFSFHTLMKTE-YVLHZVERSA-N 482.505 4.650 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCC(C)CC2)SC1=S 33470203 GVAYHMXGCOOJHH-XSFVSMFZSA-N 472.680 4.676 10 10 JJCE O=C1N=C(O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Br)c1 34234854 PMTMACIICSWRIZ-WCIBSUBMSA-N 456.079 4.968 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCC[C@H](C)C2)SC1=S 39989684 WWGXNDDWMJUYCA-SMEDBKPVSA-N 472.680 4.676 10 10 JJCE CC(/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 47152395 YULMISQBZKOLEJ-NXDIWGBQSA-N 453.545 4.770 10 10 JJCE CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)n2nc(SCc3ccccc3)nc2N1 54642662 GFANNRFDFKHLPV-QFIPXVFZSA-N 463.607 4.877 10 10 JJCE O=C(CCCn1nnc(-c2ccccc2)n1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 109813707 KWNAQIGADTUIQY-HHHXNRCGSA-N 463.541 4.885 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526389180 ZEHQWKJDNVHDQB-MUUNZHRXSA-N 498.627 4.570 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526585496 BLQMIZUEEVKLTD-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1125187660 HCVWLJXOIRSRTQ-DMUBJSPUSA-N 451.336 4.515 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(CC(C)C)N=C2c2ccccc2)ccc1OCC(=O)N(CC)CC 1865677413 HUWOJSQAMUMCDJ-KQWNVCNZSA-N 477.605 4.618 10 10 JJCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccc(Cc5ccc(N)cc5)cc4)cc3C2=O)cc1 1865879164 RPOSICPVTXHQEH-UHFFFAOYSA-N 491.547 4.917 10 10 JJCE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866787988 LLZZJGDFGLLBHF-IBGZPJMESA-N 482.580 4.972 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4nc[nH]c4c3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873421082 GAUPNGXGIHNVKW-UHFFFAOYSA-N 497.599 4.978 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2080002893 FIIKEUHGZWPGLN-CQSZACIVSA-N 468.335 4.648 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080013220 ZTJVNYZKTVMDRS-GOSISDBHSA-N 498.361 4.892 10 10 JJCE CC(C)[C@@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 2194920318 AEFANAFVMXMPBB-LBNVMWSVSA-N 466.670 4.776 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 2294094902 CTSOQBTTXREELK-UHFFFAOYSA-N 472.240 4.828 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 2297321841 OAFMXHUAGSTPNU-UHFFFAOYSA-N 496.976 4.868 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(C(=O)OC)ccc1C(=O)OC 2313681711 LOCHJAMUJJWYFE-UHFFFAOYSA-N 492.557 4.758 10 10 JJCE CC(=O)Nc1cccc2c1C=C[C@H]1N2[C@H](C(C)=O)[C@@H](c2ccc(F)cc2)C12C(=O)c1ccccc1C2=O 2377434 DTWLJDCVEGCQOZ-ZONZVBGPSA-N 494.522 4.807 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)c2C)cc1F 8938090 JRLMSYNNHRPPMR-SANMLTNESA-N 499.489 4.793 10 10 JJCE Oc1ccc(CNc2c(Br)cc(Br)cc2Br)cc1O 20504490 ZGAWSDOXQDHTJE-UHFFFAOYSA-N 451.940 4.997 10 10 JJCE O=C(Cn1ccc2c(SCc3ccc(F)cc3)nccc21)NCc1ccc(N2CCOCC2)cc1 33298586 FRQJCPMJYNFEEE-UHFFFAOYSA-N 490.604 4.621 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 33323440 MVRDJPSMSFDYGS-BKUYFWCQSA-N 487.468 4.998 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 39835856 JQGHXOOSFHCRMW-HMMYKYKNSA-N 495.626 4.731 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152277 QIAJFTORZJIJPJ-RGEXLXHISA-N 471.560 4.701 10 10 JJCE CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O 53363791 ZMOPZNPOFKJOMV-OZXSUGGESA-N 460.530 4.809 10 10 JJCE Cc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)c1 96774228 HRSUPDNYOCLZMT-UHFFFAOYSA-N 495.579 4.511 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 102996766 CPTZPSZSLGYIKE-VLURKWGBSA-N 455.536 4.626 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2cc(OC)ccc2OC)cc1 205960911 PUIZMDQZRQYWHV-LFVJCYFKSA-N 488.500 4.758 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526381953 OYSJDNKOTPVLOE-RUZDIDTESA-N 490.556 4.844 10 10 JJCE C/C(=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccc(C(F)(F)F)cc1 1127182365 WUQAQQXWIYNYFB-KNTRCKAVSA-N 457.540 4.957 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)c1O 1192012020 FCRCDGXEJHPUFZ-UHFFFAOYSA-N 458.345 4.938 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(CCCO)C1=O 1858587944 IZONYEZMWMPZRU-NTUHNPAUSA-N 463.934 4.714 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1869135268 JBAVDDZAWRCMQK-DEOSSOPVSA-N 494.039 4.606 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422295 PKWFSOGPZNOUME-UHFFFAOYSA-N 456.502 4.665 10 10 JJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C1(C)CC1 2079599022 OAXDQKCCSKGDQI-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079954914 SNHJDDAAPDFJNK-SFHVURJKSA-N 482.362 4.939 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079985808 PJGJWPIHGVFVEH-IBGZPJMESA-N 480.346 4.864 10 10 JJCE Oc1c(Br)cc(Cl)cc1CNCc1cccc(I)c1 2119243170 USZMQYWMZIMDII-UHFFFAOYSA-N 452.517 4.703 10 10 JJCE CCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2CC 2163145931 RZCPLPPKBWHZCS-RUZDIDTESA-N 466.670 4.747 10 10 JJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2296646486 ACWOJJRAKHYJQD-UHFFFAOYSA-N 466.950 4.859 10 10 JJCE O=C1C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 2297577584 AYGNCWMKZVKVOT-UHFFFAOYSA-N 495.504 4.856 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314831784 RWCNQSXQPMMVQX-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33529803 JPOIOWYAYYJKSQ-QGOAFFKASA-N 468.604 4.599 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOCCOc1ccccc1 100314837 FEYXZLUMJQBHQU-NCELDCMTSA-N 472.541 4.976 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 1865944465 QGWNPUAWEXXNTL-HSZRJFAPSA-N 486.454 4.821 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)cc(OC)c3c2=O)sc(C)c1-c1ccccc1 1866472947 ANFCQBNHEKPIQT-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE Cc1c(C)c2ccc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874179308 XLMWISXUYPRPRA-MRXNPFEDSA-N 467.477 4.591 10 10 JJCE C[C@@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 1881515259 KCRKCAJDDOCYND-ZBLYBZFDSA-N 452.643 4.530 10 10 JJCE COc1cc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc(O)c1O 1952155353 KUINWPRVGJHYDG-MRXNPFEDSA-N 477.513 4.594 10 10 JJCE O=C(N[C@@]1(c2cc(Br)ccc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952773789 ACVSSBJANVJYMP-SQJMNOBHSA-N 494.341 4.993 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079038229 XFGYTABUGOYYJQ-CQSZACIVSA-N 466.241 4.969 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(CN)c2I)cc1C 2079956999 ITSSKGLTRODDIU-LJQANCHMSA-N 453.368 4.782 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2295916649 VCCIYXYOGDTBGO-UHFFFAOYSA-N 479.671 4.579 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccc(F)c2)SC1=S)c1ccc(OCc2ccccc2)cc1 2296883041 KUSDJCNDNNIWSH-UHFFFAOYSA-N 464.543 4.951 10 10 JJCE COc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1nccs1 2314489170 PDPVLGABRNTIAS-UHFFFAOYSA-N 489.644 4.703 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3C)SC2=S)cc1 2314831463 LQECDZZDFOQEPV-UHFFFAOYSA-N 468.600 4.792 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccc(O)c2)SC1=S 2314837192 PLBHXLSAXKWXSN-NSHDSACASA-N 452.479 4.639 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3CC)C2=O)ccc1O[C@H](C)C(=O)O 2314935884 SLUSEIYSJHIZCS-CQSZACIVSA-N 457.573 4.905 10 10 JJCE N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 20332263 MXMKBMYMKMTYKP-FLHDMAHXSA-N 458.543 4.629 10 10 JJCE CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 1086880440 ACHJDLRZMILRTK-DTQAZKPQSA-N 451.574 4.731 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4c(F)cccc4Cl)CC3)ccc21 1860590128 OBHLPLZRDJOXGA-UHFFFAOYSA-N 490.918 4.745 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016283 LIPPXHXPUCTPPD-UZUQRXQVSA-N 496.567 4.553 10 10 JJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865031190 BCZHLOGQLQCLSY-HSZRJFAPSA-N 496.567 4.514 10 10 JJCE CC[C@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867664277 JIOBVPRXZWVQLQ-NSOVKSMOSA-N 486.660 4.758 10 10 JJCE CCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870354021 XFAVJQSRKXYFOM-UHFFFAOYSA-N 455.643 4.794 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873165356 KYEGXWSODWHFFS-UHFFFAOYSA-N 499.611 4.937 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427728 YHWULFLIVDTNHY-UHFFFAOYSA-N 472.564 4.519 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@H](O)CNc2ccccc2)c2ccccc12 2296311820 IDNAHYRVBUHDDL-XMMPIXPASA-N 450.542 4.920 10 10 JJCE COc1cccc(OCCCn2cc(C=C3C(=N)N4OC(C)=CC4=NC3=O)c3ccccc32)c1 2297347566 IRRZXPOVPGRGKV-UHFFFAOYSA-N 456.502 4.569 10 10 JJCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 2297349259 APESCBZQAKIHEK-UHFFFAOYSA-N 497.623 4.703 10 10 JJCE COc1ccc(C=C2SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1OC 2313501974 PVFXYFGRSZQIOW-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)Nc1nccs1 15037026 WRFCPYLHULDRRV-ATVHPVEESA-N 453.570 4.775 10 10 JJCE Cc1cccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C 32964231 ZPFUCSYECTVDCI-CXJFQJJYSA-N 455.543 4.792 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccccc1C 96459399 SUBBPFONSABIHX-ONVPTEKUSA-N 452.561 4.522 10 10 JJCE COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2N=[N+]=[N-])cc1 503904142 ZTAXYCGZXSYIMV-NNRJALBFSA-N 491.544 4.641 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526372761 LTNTZTAOIYWNIN-RUZDIDTESA-N 458.514 4.764 10 10 JJCE CC(=O)N(c1ccc(F)cc1)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 1559634925 FDHIFKZKCICBQV-QFIPXVFZSA-N 455.555 4.854 10 10 JJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 1651560760 GZXXHSOQTFWYMP-NVXWUHKLSA-N 463.725 4.961 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1858121750 PHNWHAIUGUSLGR-NRFANRHFSA-N 486.435 4.785 10 10 JJCE Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860597178 SHDMKFPKMFJWQX-JLHYYAGUSA-N 478.548 4.661 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165973 YWDWGBTYZOSFOF-IBGZPJMESA-N 487.600 4.650 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(C)cc2O)c1I 2079035265 AUEDELQSDWRNFR-LLVKDONJSA-N 482.240 4.697 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(C=O)c2I)cc1C 2080030365 LTPQXPRMNBYAFX-AWEZNQCLSA-N 466.241 4.887 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(O)cc1 2294244398 DROQTAUFZYBKRQ-UHFFFAOYSA-N 486.380 4.938 10 10 JJCE O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2297460045 SISAINPNXKETAI-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15046681 PLBHXLSAXKWXSN-WIWNTQSISA-N 452.479 4.639 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1 20756419 QBSQICAKDRXVHQ-LGVFNWMJSA-N 453.564 4.986 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(N3CCN(c4ccccc4[N+](=O)[O-])CC3)=NC2=O)cc1 33424574 ZPPWJIAXNDKHHY-PGMHBOJBSA-N 450.564 4.685 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)c2C)c1 58361828 JYYJPRSHYAJWPL-VWLOTQADSA-N 465.550 4.605 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 59377310 LGNNETHOLZHMSE-RCCKNPSSSA-N 453.564 4.815 10 10 JJCE CCN(CC)c1ccc(/C=C/C(=O)NCCN2CCC(N(C)[C@H]3CCCC[C@H]3C)CC2)cc1 245257882 GBKLQKWGEDATFZ-PEXPBMJFSA-N 454.703 4.637 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526417500 UUCYLJMVYPCJFU-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 586203513 YVGGLLBSPZCWOD-UHFFFAOYSA-N 471.509 4.997 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@H]2C1 708125612 VVPNARWUEQXHGV-DUVNUKRYSA-N 459.812 4.933 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)ccc1OCc1ccccc1 1858589532 WVEJXWJKSFNOFV-QDDTUJKSSA-N 457.573 4.585 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(Cl)n2)sc(C)c1-c1ccc(OCC)cc1 1860748291 WTDKKTQUVNQVCJ-UHFFFAOYSA-N 487.965 4.925 10 10 JJCE Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865937951 RBSIESSHRHXMRZ-UHFFFAOYSA-N 464.315 4.859 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c2nccn2C)cc1 1865998044 SDFADZYNVSXICO-OETTXPGDSA-N 466.585 4.984 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2NC(=O)c2ccccc2)N2CCCCC2)cc1 1866045203 GBTNOVLWVUVENY-HHHXNRCGSA-N 470.617 4.962 10 10 JJCE C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867336733 XGXVVDMCGZWBME-IADCTJSHSA-N 498.671 4.881 10 10 JJCE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868708726 UVVZIUSPUQQZEV-KAYWLYCHSA-N 497.655 4.988 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868938992 JSSWTOHIUJWWBN-IADCTJSHSA-N 497.655 4.988 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(Cc3ccccn3)C2=O)cc1 1873167258 YLXMOQLRXPUFAF-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873421003 BTGFNEJMBKDDFU-UHFFFAOYSA-N 497.599 4.978 10 10 JJCE O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180536 CTDSLGBRQWJANJ-UHFFFAOYSA-N 458.473 4.569 10 10 JJCE Cn1ccc2ccc([C@]3(C(=O)O)C[C@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cc21 1952695696 KTDRYFONYKTOBH-LEAFIULHSA-N 452.510 4.812 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CCN(Cc2ccccc2)C2(CC2)C1 2194937713 LXVUIGFREVBTQV-MUUNZHRXSA-N 464.654 4.674 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1cccc(C)c1 2296537458 OALOOMXFNNQLRV-SFHVURJKSA-N 469.584 4.603 10 10 JJCE CC1=CN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(Br)c3)C(=O)N=C2S1 2297499541 LCYUYAUOFRTCRD-UHFFFAOYSA-N 474.361 4.897 10 10 JJCE O=C(O)CCNC(=O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314831892 VCZQEXDAOZXBNY-UHFFFAOYSA-N 478.595 4.565 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 2318683339 CKKORIYBJHDGJI-MCNSAMFCSA-N 472.676 4.960 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323812596 HUQYFCUAJOECIL-JOCHJYFZSA-N 491.590 4.868 10 10 JJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323829819 YSOYFHFOHQEESA-QVKFZJNVSA-N 471.600 4.975 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3c(F)cccc3F)CC2)cc1 9228434 SUGURZLTXFGQBM-UHFFFAOYSA-N 491.494 4.934 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)nc4ccccc34)CC2)cc1 16568248 AVITWHRSNLCUHI-UHFFFAOYSA-N 453.542 4.881 10 10 JJCE CCN(CC)c1ccc(/C=C/C(=O)NCCN2CCC(N(C)[C@H]3CCCC[C@@H]3C)CC2)cc1 20241360 GBKLQKWGEDATFZ-YIMAAMDWSA-N 454.703 4.637 10 10 JJCE CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc(I)c1OC 33343235 ZAPZXMGRWILKNI-OQLLNIDSSA-N 478.282 4.688 10 10 JJCE CCCOC(=O)CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 33621359 BLNGYPMJBHKLQU-FYJGNVAPSA-N 450.585 4.844 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S)c1ccccc1 33714077 DQQCEYXEQYJSKS-XLNRJJMWSA-N 476.579 4.691 10 10 JJCE CCSc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 39885916 PCOJSZBUYHHZRU-XFXZXTDPSA-N 471.054 4.534 10 10 JJCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1 101402704 BYNFFZVISOAIIZ-TWGBNTOESA-N 455.337 4.667 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)N3CCCCC3)C2=O)ccc1OC1CCCCC1 211948140 DXSSUYKFRVEUAR-RCCKNPSSSA-N 474.648 4.620 10 10 JJCE CN(C)c1ccc([C@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314457 GCNLNJLFBFFOKB-SANMLTNESA-N 499.592 4.610 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)c2ccco2)cc1 1858895713 VKCLGLLFFGSETL-UHFFFAOYSA-N 466.449 4.596 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1)c1cccc(F)c1 1860550942 BADCPEPUANISOY-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)sc(C)c1-c1ccc(F)cc1 1860746873 ILCDZXSSHPNJHC-UHFFFAOYSA-N 483.521 4.575 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccc(C)cc1 1860750442 NBRMVFNQGCBPPQ-UHFFFAOYSA-N 467.503 4.612 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCCCCO)cc1OCCCO 1871267605 JJXHQWWIHBGHAE-UHFFFAOYSA-N 465.594 4.518 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873164751 QGRIGLYTMCEZQQ-UHFFFAOYSA-N 487.600 4.781 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873165039 FEPXVNAIVPJYOU-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](CC)c2ccc(C)cc2O)c1I 2078992239 LPJYFCWBVKAIMK-AWEZNQCLSA-N 454.308 4.555 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)cc1C 2080011748 FLDQOEMJOYILGP-SFHVURJKSA-N 468.379 4.989 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(C=O)c2I)cc1C 2080029715 CCUPMOHXWFPOCV-AWEZNQCLSA-N 464.225 4.641 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2106858123 SKOODJIVBLCYSQ-PNTFMKQHSA-N 453.627 4.828 10 10 JJCE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194936902 GHBPNDVTEGSBCQ-FGZHOGPDSA-N 466.670 4.633 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 2296824180 XDEYBNBVZALCRN-UHFFFAOYSA-N 478.389 4.816 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)N(C)C)cc1 2323879768 DUBNNXODCHBRFJ-GOSISDBHSA-N 472.661 4.525 10 10 JJCE O=C1CCN(c2cc(Nc3ccc4c(c3)OCCO4)c3c4c(onc24)-c2ccccc2C3=O)CC1 2494278 IOYVTQWKVXFFQD-UHFFFAOYSA-N 467.481 4.723 10 10 JJCE Cc1[nH]c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1Cc1ccccc1 9946844 NNSFHPMLSBNCDB-UHFFFAOYSA-N 467.550 4.815 10 10 JJCE Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)NC1=S 59678495 JICULYPSYDKNNL-ODLFYWEKSA-N 493.972 4.585 10 10 JJCE Cc1cc(C)c2c(c1)S[C@@H](NC(=O)CN1C(=O)/C(=C/c3ccccc3Cl)SC1=S)N2 103040479 ZJNVFRKISTXNJI-CPYXBQISSA-N 476.048 4.776 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526559071 ZSIUNQGMGXOFPP-HSZRJFAPSA-N 469.440 4.841 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(C(=O)c4ccccc4Cl)CC3)c2)c1 1860851909 NCAVRHUPYDUABF-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015694 CYZCGMLHLOOMQT-JOCHJYFZSA-N 488.588 4.515 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 1866023472 VHMXSJWVPMQYJG-AREMUKBSSA-N 477.520 4.907 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866684948 XDLNAYMJMMWIHV-ISLYRVAYSA-N 480.564 4.961 10 10 JJCE CCc1ccc([C@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CC)n3)CCO2)cc1 1869130044 CSBDRDZRZDUEBD-AREMUKBSSA-N 487.648 4.515 10 10 JJCE CC(C)=CCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871062267 XRPYOZMJSZXFPN-UHFFFAOYSA-N 463.578 4.558 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425962 LFAMBTYIAFJXOU-UHFFFAOYSA-N 485.975 4.905 10 10 JJCE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1CCCc1ccccc1 2293760682 IPEZVSBIJXWIHO-UHFFFAOYSA-N 481.380 4.831 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1cccs1 2294746219 LUNICVKVCJQKAG-UHFFFAOYSA-N 470.391 4.569 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@@H](O)CNCc2ccc(F)cc2)c2ccccc12 2296203280 WATPQMAWQGUGBL-VWLOTQADSA-N 482.559 4.737 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3ccc(Br)cc3)C(=O)N=C2S1 2297306507 DPPWTOZOOOFGPM-UHFFFAOYSA-N 499.390 4.936 10 10 JJCE O=C1C(=C2SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc2N1CN1CCCCC1 2313621590 XSKWIFMCEAEYQG-UHFFFAOYSA-N 470.019 4.906 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314507656 KWMVZQYIGDEDON-UHFFFAOYSA-N 499.589 4.562 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(CC)C2=O)CC1 2314648106 OQCHZAXZAWDBOH-UHFFFAOYSA-N 469.632 4.544 10 10 JJCE CCCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650456 ICHHTQMDCOBGGZ-UHFFFAOYSA-N 482.675 4.636 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C(=O)O)c1OC 2314928918 DWTANCOHVNDWKL-UHFFFAOYSA-N 453.900 4.600 10 10 JJCE Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 8621577 KPCPGXIQDKTJRP-UHFFFAOYSA-N 481.527 4.912 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2CC=C[C@H]32)CC1 14467586 WANRWBHBCTWJKT-ULYRPOKDSA-N 458.389 4.913 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2CC=C[C@H]32)CC1 14467590 WANRWBHBCTWJKT-ZDPZECHZSA-N 458.389 4.913 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 33305942 WVMHAENWBBLDNY-XIEYBQDHSA-N 498.579 4.796 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33723735 INWDKCACZJQOHR-LCJWNIEWSA-N 478.643 4.657 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1 58822199 MXMXTAVZXWHKTK-MHWRWJLKSA-N 497.379 4.710 10 10 JJCE Cc1ccc(CN2C(=O)N/C(=C/c3c(Cc4cccs4)nn(-c4ccccc4)c3O)C2=O)cc1 1082756231 QDYGWFNXUFHUKH-HZHRSRAPSA-N 470.554 4.632 10 10 JJCE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 1655129004 MHWMHXPGLCAFHK-AWEZNQCLSA-N 455.407 4.911 10 10 JJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)oc2ccc(Br)cc12 1859707308 PKGQVMVILDGZAJ-UHFFFAOYSA-N 488.293 4.892 10 10 JJCE CCc1cc(C(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)nn1Cc1ccccc1 1860847714 RVSDRMNNXKZHHU-UHFFFAOYSA-N 481.600 4.742 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864006976 BZFRAVZMEZSGMT-CYFREDJKSA-N 490.604 4.762 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008477 KYTJFWAVJQCQSG-QFIPXVFZSA-N 496.995 4.636 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)N2CCCCC2)cc1 1865858961 BGOZWVCSEYOXRB-NRFANRHFSA-N 464.393 4.715 10 10 JJCE CC(C)OC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870908655 DYRRFSRJBFKJEA-UHFFFAOYSA-N 498.583 4.978 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)cc1C 2080052390 MTFACEQMCZXEBM-AWEZNQCLSA-N 476.261 4.835 10 10 JJCE Cc1ccc2c(c1)c(C=C1C(=N)N3C=CSC3=NC1=O)c(C)n2Cc1ccc2c(c1)OCO2 2297317068 HWRGWBDEMCWWEG-UHFFFAOYSA-N 456.527 4.812 10 10 JJCE CCc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 2297356667 LCXHKKAAWFJPPF-UHFFFAOYSA-N 478.574 4.745 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc(OC)c1OC 2297468612 RVCFDIWGFDWUFS-UHFFFAOYSA-N 456.568 4.692 10 10 JJCE CC1=CN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4F)c(Br)c3)C(=O)N=C2S1 2297499642 RJOQQASEBVFWCA-UHFFFAOYSA-N 486.322 4.974 10 10 JJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 2313683546 CFKFERSOIUEXLG-UHFFFAOYSA-N 486.484 4.527 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3nccs3)C2=O)ccc1OC1CCCCC1 2314485852 FBNDNYPMROYWDU-UHFFFAOYSA-N 489.644 4.703 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)s1 2314488673 MDTAPAJXOCIWBX-UHFFFAOYSA-N 488.660 4.652 10 10 JJCE CCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 2332114431 BUINZGGXYLNLAD-UHFFFAOYSA-N 459.340 4.515 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2665734 DEOVYKDJVFGFDP-FMQUCBEESA-N 486.018 4.697 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 27531805 WENCNILLDZEKGC-XSFVSMFZSA-N 494.034 4.962 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1/N=N/c1cccc(-c2cccc(-c3nnn[nH]3)c2)c1O 56898848 KWJKFQSAMABKBG-KQEYZTLISA-N 466.505 4.731 10 10 JJCE in-man O=C1/C(=C/c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccccc1 58951260 CNTXOQHXQIHNPR-KGENOOAVSA-N 484.537 4.829 10 10 JJCE C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1O 103561175 FWLYOJOWJGWTGG-AWRGLXIESA-N 479.330 4.596 10 10 JJCE CC(=O)c1ccc(NC(=O)[C@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 1653350099 ZGGHGLLVTSMHJS-KRWDZBQOSA-N 451.567 4.694 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@](C)(CC)O1 1705622899 YTFOHSQDKAAMEG-CUBQBAPOSA-N 475.637 4.786 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc(C)cs2)sc(C)c1-c1ccc(OCC)cc1 1860766388 XAYCPEUXSUCXBO-UHFFFAOYSA-N 473.576 4.641 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862211413 GRVFEEONWITNRL-AMGIVPHBSA-N 495.664 4.610 10 10 JJCE CCC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866613718 HOXAGQWFYWLZGU-RUZDIDTESA-N 491.547 4.790 10 10 JJCE CC/C(=C\C(=O)N[C@@H](CC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 1866689308 WQEOIGGYKWSLRP-XGAHLHMBSA-N 496.563 4.798 10 10 JJCE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873165036 FBXZDWFWFJVXPZ-UHFFFAOYSA-N 499.611 4.794 10 10 JJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C1CCC1 2079673730 SFNOQXWSOBUBJB-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080004070 VQWXNZFEBDGADU-GOSISDBHSA-N 484.334 4.501 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(=O)C=Cc1ccc(OC)cc1 2296538499 SDOWANXAPLSQJB-UHFFFAOYSA-N 455.557 4.544 10 10 JJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC(=O)O)C3=O)oc12 2314450711 MUBWXVDBZFXUHW-UHFFFAOYSA-N 491.550 4.580 10 10 JJCE Cc1ccc(O)c(C=C2SC(=S)N(c3ccc4c(c3)C(=O)c3ccccc3C4=O)C2=O)c1 2321721248 BVOOTQBRPVYRLD-UHFFFAOYSA-N 457.532 4.882 10 10 JJCE Cc1ccc(C(=O)O)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)c1 16922650 WEGPBRMONYLFSP-BOPFTXTBSA-N 492.525 4.525 10 10 JJCE Cc1ccc(-n2c(SCC(=O)NCc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 18971039 PBAQFQFNHHZJOF-UHFFFAOYSA-N 457.603 4.717 10 10 JJCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(C/C=C\c3ccccc3)CC1)c2Cl 33783815 MPSQXCIWZHDFFY-TWGQIWQCSA-N 470.956 4.587 10 10 JJCE O=C1/C(=C2\SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc2N1CN1CCCCC1 34880346 XSKWIFMCEAEYQG-VXPUYCOJSA-N 470.019 4.906 10 10 JJCE C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 103040882 MCEQQYNNIWERJB-PVGUKEHMSA-N 470.019 4.770 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccco2)SC1=S 208271692 AJYNVTCQKTZQJQ-XDHOZWIPSA-N 470.620 4.645 10 10 JJCE CC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 586669976 PYOUYWMYDXZEEY-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1OC 1865669572 QPUISQJPYSFKCP-XQNSMLJCSA-N 458.514 4.946 10 10 JJCE COCCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419802 AQSWQMSFBIEEGB-UHFFFAOYSA-N 494.389 4.695 10 10 JJCE Cc1cc(Br)c([C@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)s1 2194933350 YVRBZLKMODSXHF-KRWDZBQOSA-N 454.434 4.980 10 10 JJCE Cc1ccc(C2=NN3C(=N)C(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)cc1 2297342755 FIZWQMRTEXCPMU-UHFFFAOYSA-N 457.471 4.831 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1OC 2297349616 ILEQSSBQLTWFJZ-UHFFFAOYSA-N 482.627 4.665 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)sc2c1 2314563136 GKMVTUAJSUBKJG-UHFFFAOYSA-N 473.576 4.674 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(Cl)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 2332139723 KZMJGABQLOWAMN-UHFFFAOYSA-N 483.996 4.788 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 40562590 XGGVYCQTCIEQGX-STZFKDTASA-N 483.659 4.932 10 10 JJCE CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(O)=NC1=S 59182231 KPFZVTDVDYFFEN-GHRIWEEISA-N 453.951 4.861 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc(OC)c1OC 59862366 DFPUPYNOHZXFAY-ZSOIEALJSA-N 489.322 4.598 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 64872484 IIYNBTPIDJZLBE-UHFFFAOYSA-N 461.585 4.662 10 10 JJCE O=C1N=C(O)/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 83326569 AUKUKZUXYJIACZ-WZUFQYTHSA-N 456.079 4.968 10 10 JJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)cc(OC)c1OC 169681528 WYEGKJHZVZZVNK-SIBVEZHUSA-N 462.502 4.669 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 208278116 YFHYLXVNGOYGDW-PXLXIMEGSA-N 461.612 4.781 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2OC)c1 250378142 JPNTVUWFCMRXSR-FNZWTVRRSA-N 462.502 4.669 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526570032 CNDYXGQMFOJQTH-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE CCCCN(C)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586661537 KLJFVTVXIGLJJO-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705730915 QFMNZSGNUYCXID-CPJSRVTESA-N 463.626 4.807 10 10 JJCE O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860562408 QLPSXRVZFQFPMB-WUKNDPDISA-N 473.488 4.761 10 10 JJCE CCOc1c(/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cccc1OC 1865670433 ZPLMEGJEQYUVAV-HAVVHWLPSA-N 458.514 4.946 10 10 JJCE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868685664 GGNCCQFVPPLKLF-SVBPBHIXSA-N 477.649 4.603 10 10 JJCE COc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287682 UNFPHEPXTNCEGZ-UDWIEESQSA-N 456.589 4.570 10 10 JJCE CCCn1c(C(=O)Nc2cccc(C)c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650606 WPMFXQRVGYRXSB-UHFFFAOYSA-N 484.604 4.737 10 10 JJCE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2F)cs1 1891610743 NWJKCEYFZIDQEE-UHFFFAOYSA-N 465.381 4.816 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053513750 VGFVLUHLLIEBFX-MRXNPFEDSA-N 476.532 4.564 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078979138 HFCKWPVZSZKZSF-KRWDZBQOSA-N 468.335 4.801 10 10 JJCE CN1CCCc2cc([C@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163155664 ZBEUGNULRMIUIE-LBNVMWSVSA-N 465.638 4.913 10 10 JJCE CCN1C(=O)C(=Cc2ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S 2296727463 DHUGPPDGACOIJP-INIZCTEOSA-N 481.854 4.755 10 10 JJCE COC(=O)C=C1SC(N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)=NC1=O 2296887572 WMJBPIRHGNRHCD-HYBUGGRVSA-N 457.555 4.969 10 10 JJCE O=C(CN1C(=O)SC(=CC=Cc2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2297334469 NWAHKQMDEOLGDA-UHFFFAOYSA-N 494.528 4.693 10 10 JJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314837871 XSXZDRDCHFSWFL-GFCCVEGCSA-N 462.980 4.673 10 10 JJCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2cc(Cl)ccc2O)cc1 15834171 OIYSNTNYWPGDIM-HSZRJFAPSA-N 498.970 4.877 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 33424267 QWTBVMKVUVZISO-IXNXYFIPSA-N 478.574 4.962 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 95547691 BQZFWNQRUAYYQH-OYKKKHCWSA-N 456.546 4.551 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 102832606 WCMWSUOCBJFKEN-PUMYGXPMSA-N 495.651 4.534 10 10 JJCE Nc1cc(Oc2cccc(F)c2)c(N)c2c1C(=O)c1c(N)c(Oc3cccc(F)c3)cc(N)c1C2=O 206675649 IGBHHBNKUPTIRS-UHFFFAOYSA-N 488.450 4.654 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526571078 ISANLNDQNCRFTM-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1C 1084150501 GBMYPFAETUYFJK-XDHOZWIPSA-N 465.303 4.992 10 10 JJCE Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 1084280978 ZFJWUTZBCUEDFB-KGENOOAVSA-N 478.346 4.865 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc(C)c1-c1ccc(OCC)cc1 1860627318 CSPYOXWVIQQRJX-UHFFFAOYSA-N 484.618 4.886 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871475566 CICWEHVGTUCUJT-UHFFFAOYSA-N 495.631 4.601 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952661183 RIOXMJAKHVHINO-VWLOTQADSA-N 462.458 4.529 10 10 JJCE CCc1c(C(C)(C)C)nn(Cc2cc(Br)ccc2O)c1I 2079715853 NZOOFCCLPFXBCD-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080038983 USMUNPHULKSPAO-KRWDZBQOSA-N 498.361 4.676 10 10 JJCE Cc1cc(C)cc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 2293332639 VQWMWLCQUUPPEL-UHFFFAOYSA-N 477.948 4.812 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 2297349281 SFDLBOHVLJVWEZ-UHFFFAOYSA-N 482.842 4.970 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(Cl)c2)SC1=S 2297364473 JUAAKYVFNWIMKT-UHFFFAOYSA-N 463.964 4.798 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccc(O)cc2O)cc1 2332096166 WCHIJXQRDLXVJV-UHFFFAOYSA-N 465.303 4.703 10 10 JJCE CCNc1cc(N2CCN(c3ccc(OC)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9612284 AORJBXQDLCBLIH-UHFFFAOYSA-N 454.530 4.806 10 10 JJCE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c(C)c1 14458105 CRWYZXGKKYXQKD-YRWQMTPXSA-N 452.620 4.896 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)cc1 16911952 XRGRNYDBPXPWGR-RCCKNPSSSA-N 486.615 4.801 10 10 JJCE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@H](c1ccccc1O)N2 20898549 VEJNMDKXTSDDMI-DEOSSOPVSA-N 478.552 4.532 10 10 JJCE Cc1c(/C=C\c2nc3ccc(I)cc3c(=O)n2C)c2ccccc2n1C 33432116 VOCBLXCZGTZLCA-LUAWRHEFSA-N 455.299 4.509 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1c(F)cccc1Cl 40937744 HFHZOHGSTWGYAQ-VCHYOVAHSA-N 481.954 4.743 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cccc(OC(F)(F)F)c1 103526687 XPSNJAJFZZXWKB-XDHOZWIPSA-N 490.463 4.847 10 10 JJCE CC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1 103564564 KWUFWNWSGCMUJC-FKSIKXIZSA-N 457.559 4.976 10 10 JJCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 208733604 SFVXBJYQEALDEJ-YVLHZVERSA-N 487.320 4.783 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526332804 FKTOYOJMWVRJSK-AREMUKBSSA-N 487.556 4.785 10 10 JJCE Brc1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)ccc1N1CCCCC1 1461967972 MDWYSQSMTNFXQG-NRFANRHFSA-N 451.449 4.990 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Br)cc2)N2CCCCC2)cc1 1866125412 CZVCLBPWDPYCDH-RJVUUZSNSA-N 456.428 4.872 10 10 JJCE CC(C)c1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866501453 RINFEDAODNXCGM-SANMLTNESA-N 460.622 4.675 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873165196 HXRMYQROFVVADR-UHFFFAOYSA-N 497.595 4.691 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424602 PURIDUFAWKINJD-INIZCTEOSA-N 453.546 4.961 10 10 JJCE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951871491 IWFHWGHUBIOACO-HSZRJFAPSA-N 476.485 4.991 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2040444533 LHRKMYZJFUUQMW-UHFFFAOYSA-N 482.505 4.610 10 10 JJCE Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2296397903 GJVDOVXLMWBWDY-UHFFFAOYSA-N 483.499 4.834 10 10 JJCE CCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296715328 OFAQNBZFPIRJIT-UHFFFAOYSA-N 464.616 4.616 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCCOCCOc1ccccc1 2297306618 FEYXZLUMJQBHQU-UHFFFAOYSA-N 472.541 4.976 10 10 JJCE Cc1cc(C=C2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2297561891 UAEKTFRFJQMTLZ-UHFFFAOYSA-N 477.498 4.937 10 10 JJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 2313682506 DSSOXIMITKKCCN-UHFFFAOYSA-N 456.458 4.518 10 10 JJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1N1CCOCC1 2314487129 GYAZKWOYGSRICR-UHFFFAOYSA-N 483.018 4.641 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 2314650343 ALAHDKNTVOQYSR-UHFFFAOYSA-N 459.545 4.579 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1OCC 2323774978 KAMGWIHVZICAAT-UHFFFAOYSA-N 464.590 4.898 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1OCC 2323775005 NLZOLSGZXPVTJS-UHFFFAOYSA-N 458.561 4.836 10 10 JJCE COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6674908 ZYZKGCYIFYJMPC-SFQUDFHCSA-N 477.405 4.688 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc1OC 20715252 WANPMVLYQNMZSE-FHAGJXEFSA-N 454.592 4.705 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 33307296 NESLMDQXGQECGL-YMINWEEVSA-N 453.907 4.735 10 10 JJCE CCOc1cc(Br)cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1O 33436618 IORXDRPPZPVIKQ-GZTJUZNOSA-N 464.406 4.997 10 10 JJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 33707764 MSVUDSLMPBRDPM-DEDYPNTBSA-N 453.564 4.834 10 10 JJCE C[C@@H](C(=O)O)N1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 34861957 WSKRUZNUXFQXAF-FZQCLQRZSA-N 479.366 4.589 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3cccnc3)S2)cc1 54201558 JYEANYSZCZKVQD-IBNIFWCESA-N 453.571 4.969 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 95926203 XXVBPSFEZJJDIV-CPNJWEJPSA-N 474.929 4.921 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(Cc4ccc(C)cc4)n3)CC2)cc1 1862355057 KOWBPEQTDQIVAS-UHFFFAOYSA-N 466.585 4.878 10 10 JJCE CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2CC(C)C)cc1 1862360978 ODPGJMZVXKNYIT-UHFFFAOYSA-N 462.594 4.576 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)CCCN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866022880 SBJRTZVFQYGJPK-UHFFFAOYSA-N 492.373 4.637 10 10 JJCE CC[C@H](NC(=O)CCCc1ccccc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867120141 BZEVUOXXFWAYMB-QHCPKHFHSA-N 468.553 4.627 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873168368 SKAFUZIVHNBYIU-SFHVURJKSA-N 457.574 4.771 10 10 JJCE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873550581 JCQCAVNONHHZDN-UHFFFAOYSA-N 492.668 4.685 10 10 JJCE COc1cc(C=C2SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl 2040476475 ZUJBTNDSJGCOEN-UHFFFAOYSA-N 479.385 4.884 10 10 JJCE CN1CCCc2cc([C@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163149470 JYWDCULWAPSTQS-VWLOTQADSA-N 464.654 4.628 10 10 JJCE O=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1c1ccc(F)cc1 2297357248 HZQNWVWABCNMAZ-UHFFFAOYSA-N 471.556 4.999 10 10 JJCE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2297604879 XKMUAMYCBDLYSN-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE CCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OCC 2314760901 NCVYISFEUXAHET-UHFFFAOYSA-N 488.425 4.703 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)Nc1ccc(O)cc1 2314827392 DAEIDNVUALTJLQ-UHFFFAOYSA-N 476.579 4.811 10 10 JJCE COCCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S 6581376 QWUQOKDNZNKOCQ-WOJGMQOQSA-N 464.952 4.675 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](CC)(c4ccc(F)cc4)C3=O)c2C)cc1 8891302 AQBQJVBLEWJARW-MHZLTWQESA-N 477.536 4.672 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C 20662767 HYKFOFWCPWIGEQ-KMBIYUNPSA-N 491.569 4.779 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3Cl)O4)CC2)cc1 32983875 GZBODQKODDUPOK-UQQQWYQISA-N 489.959 4.683 10 10 JJCE CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)c2c1 33304436 FCHQGPXOWZTCRD-MOSHPQCFSA-N 474.469 4.873 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33467415 CWZYAGSNLYVTAW-CPNJWEJPSA-N 470.664 4.995 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NC3CCC(C)CC3)nc12 33529863 RPOCDIRGZDNIAI-MOSHPQCFSA-N 494.642 4.988 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OCC)[C@H]1c1ccc(O)c(O)c1 526188941 PGBGOMWJFUYBDL-XMMPIXPASA-N 477.513 4.961 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526309899 WJWUWBVVYIQXRF-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@H]1CCCCO1 1705574891 RCBORMDVZVVIEU-RUZDIDTESA-N 455.606 4.775 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(ccc4ccccc43)oc2=O)N2CCCCC2)cc1 1866289272 CZXUUOGQCWPOGB-AREMUKBSSA-N 469.585 4.969 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080004071 VQWXNZFEBDGADU-SFHVURJKSA-N 484.334 4.501 10 10 JJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106872758 VVVNMGBKSAJFKX-DQEYMECFSA-N 452.643 4.573 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 2297301770 YHOHRPOKXMLUMT-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2314476140 JKDDZTBOAWPIPD-NRFANRHFSA-N 477.611 4.928 10 10 JJCE COc1ccc2[nH]cc(C=C3SC(=S)N(c4cc(OC)c(OC)c(OC)c4)C3=O)c2c1 2321738517 KJMHNOSREKFNCN-UHFFFAOYSA-N 456.545 4.608 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641991 GYLJOGKKEFABSV-UZINWLIJSA-N 479.621 4.611 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nccc4c3ccn4Cc3ccc(C)cc3)CC2)cc1 33171542 UBIKDYMQKVZZBV-UHFFFAOYSA-N 486.641 4.843 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(F)cc1 59106177 HDMJSLKCDYSOOZ-BKUYFWCQSA-N 461.405 4.820 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CNc3ccccc3Br)C2=O)cc1OC 59370995 SBVPIXHYOQHHAP-YVLHZVERSA-N 465.394 4.737 10 10 JJCE COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(O)=NC1=S 96469877 QZYSGQYGLSYMTF-WQRHYEAKSA-N 475.526 4.503 10 10 JJCE Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 102636631 JRPJPLHAWGNDRN-UDWIEESQSA-N 482.309 4.662 10 10 JJCE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OCC)c2)SC1=S 206876925 SUHBGSAGFDLQFV-XMHGGMMESA-N 451.610 4.807 10 10 JJCE COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 1084495963 RLHTVXCAMPTSBN-BKUYFWCQSA-N 494.345 4.532 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)sc(C)c1-c1ccc(C)cc1 1860749168 VSHNMGSYUYETCH-UHFFFAOYSA-N 475.570 4.597 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)c2nccn2C)cc1 1865879145 CCFGAEZKFHXXHQ-REWPJTCUSA-N 461.997 4.947 10 10 JJCE CC(C)c1ccc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866422240 HOVHPSQLEHRUSH-SANMLTNESA-N 460.622 4.675 10 10 JJCE CCCC[C@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868750100 FHKBGFCACRVDTG-ZOFLOHRWSA-N 484.040 4.776 10 10 JJCE CC[C@H](C)N1C(=O)C(NCCOc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164487 DSZJNGWJKDLGSX-IBGZPJMESA-N 457.574 4.641 10 10 JJCE CN[C@@H](c1ccc(N2CCCC2)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163150962 BOGIQUNBKADHCV-LBNVMWSVSA-N 464.654 4.717 10 10 JJCE CCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2296732181 FEYIOMIHTOZHBG-UHFFFAOYSA-N 453.614 4.765 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1OC 2296881934 DUXHDWPDFXWPJD-UHFFFAOYSA-N 477.633 4.561 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC 2297461781 YIEFYSQOXAILGK-UHFFFAOYSA-N 476.314 4.895 10 10 JJCE CCOc1ccc(N2C(=O)C(=C3C(=O)Nc4cc(Br)ccc43)SC2=S)cc1 2297463835 NKYHUYAFQQSNGW-UHFFFAOYSA-N 461.362 4.576 10 10 JJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)cc1 2314836445 FJNIKWUAPCFTOU-CQSZACIVSA-N 451.573 4.795 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837578 ULTDGLIJVMRMDY-LLVKDONJSA-N 481.477 4.842 10 10 JJCE CN(C)c1ccc(-c2nc3cc(C(=O)N4CCN(CC=Cc5ccccc5)CC4)ccc3[nH]2)cc1 2322034922 IGMRZIXVGGEEBQ-UHFFFAOYSA-N 465.601 4.767 10 10 JJCE CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 13313350 BMWYWIHQQMLRSB-UHFFFAOYSA-N 457.379 4.503 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 15046059 HOEYSIQBCNBQQL-SJWFJVLYSA-N 462.980 4.673 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1OC 16926739 HXADXKXNDFQNAC-OCKHKDLRSA-N 487.555 4.676 10 10 JJCE C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 33519426 MBLHGWBVZLCRJH-UEIJICEPSA-N 462.600 4.563 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NC1CCCCC1 35638397 YRGNQRJNVDLHLC-GHRIWEEISA-N 467.454 4.879 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N(CC)CC)cc3OCC)C2=O)cc1 59860071 LBKXRPDBYCICKX-RCCKNPSSSA-N 451.523 4.837 10 10 JJCE COc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@@H](c3ccccc3O)C2)cc1OC 65297884 AKOJZWBPQQLILY-RUZDIDTESA-N 471.601 4.925 10 10 JJCE biogenic COCCN(C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(=O)C1CCCC1 105052635 KCNMFQIFMLOVDK-NAKRPHOHSA-N 493.692 4.642 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCc1nc(-c2ccccc2)cs1 205975775 AVQPSPOOAUEWTO-XDHOZWIPSA-N 483.615 4.857 10 10 JJCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 208271729 LNOJJTXXUJUZNZ-YBFXNURJSA-N 470.620 4.501 10 10 JJCE CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 1084315395 SKZGGGWMHAGJJV-CPNJWEJPSA-N 465.303 4.667 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4c(F)cc(F)cc4F)n(CC(C)C)n3)CC2)cc1 1862344740 FCLAEYBPEBZJOD-UHFFFAOYSA-N 472.511 4.594 10 10 JJCE Cc1cccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867825859 ZSUBSTMVSOCOOG-VMPREFPWSA-N 498.671 4.876 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCc3ccccc3)CC2)cc1 1870351151 OSWKNVYAIACNCA-UHFFFAOYSA-N 489.660 4.847 10 10 JJCE CCCOC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871235510 QOLWZMHKLVSVQE-UHFFFAOYSA-N 493.604 4.699 10 10 JJCE COCCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420161 HTHIUEQUUZUGNP-UHFFFAOYSA-N 499.489 4.831 10 10 JJCE CCc1c(C2CCC2)nn(Cc2cc(Br)ccc2O)c1I 2079836851 LSUFZIGLBBJUDX-UHFFFAOYSA-N 461.141 4.834 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)cc1 2296881722 XRZFKJRFDLKSDM-UHFFFAOYSA-N 454.617 4.725 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2321635458 NAIIUJMCESYNKW-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)ccc1O 15045217 QLKOAQAZJWVDIX-JWGURIENSA-N 484.643 4.869 10 10 JJCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cc(Cl)ccc2O)cc1 15834168 OIYSNTNYWPGDIM-QHCPKHFHSA-N 498.970 4.877 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cc(Cl)ccc3OC)c3ccco3)CC2)cc1 38620100 XVSOJRUAMFTNAA-QFIPXVFZSA-N 484.984 4.635 10 10 JJCE Cc1cccc2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCOCC3)nc12 38732260 WOOHLTIUYBUFSY-QNGOZBTKSA-N 461.612 4.781 10 10 JJCE O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1F 96834233 LNSAZFMGWKFRPI-QGOAFFKASA-N 461.405 4.820 10 10 JJCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 97478460 GAXMDGGHMRANCN-XTOVRFJNSA-N 483.553 4.515 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 97595335 OEWDZEZAFLAEFB-CPNJWEJPSA-N 468.531 4.552 10 10 JJCE C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 105711023 YUQUCKRDCYAFIT-HNNXBMFYSA-N 453.523 4.971 10 10 JJCE O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCCC1 253569142 MAFIFNZXNFKZMS-FDFHNCONSA-N 477.944 4.553 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 526204818 UQEKQJXWWZEBNT-JOCHJYFZSA-N 451.450 4.701 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526224706 BCDCERFOWYXANS-XMMPIXPASA-N 463.486 4.571 10 10 JJCE CC(C)C(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526565731 CUMULLUHUVEHEG-HSZRJFAPSA-N 462.477 4.889 10 10 JJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(OCc3cscn3)c2)cc1 783523243 GWBWGWBBLWSKES-DEOSSOPVSA-N 451.592 4.610 10 10 JJCE CCCCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860345268 YVNMAANESUPWER-HHHXNRCGSA-N 458.606 4.875 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc(Cl)cc(Cl)c3c2=O)N2CCCCC2)cc1 1866454898 BQMKMRDPPMMZHW-JOCHJYFZSA-N 487.431 4.858 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5ccccc5F)[nH]c4c3)CC2)cc1 1872824869 KORSTMWVPJTISD-UHFFFAOYSA-N 476.577 4.965 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873168336 RTTWMVIEUHIEFM-SFHVURJKSA-N 457.574 4.771 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(Cc4ccccc4)C4(CCC4)C3)ccc(N)c2C1 2153349449 NTSZFHZWKUHIIX-UHFFFAOYSA-N 462.638 4.807 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C 2313682922 NWJYVQFLVKKCAQ-UHFFFAOYSA-N 454.939 4.910 10 10 JJCE C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414393 XVXYTXDNDIESNX-INIZCTEOSA-N 494.617 4.614 10 10 JJCE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 2314764579 GWMRYJRNWMZDHG-UHFFFAOYSA-N 486.018 4.793 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OCC)c3)SC2=S)cc1 2314935210 NRJJXYPUKAOULP-AWEZNQCLSA-N 473.572 4.742 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc(OC)c1O 2332147634 OVUOZUPDUOHEEY-UHFFFAOYSA-N 471.229 4.520 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5ccc(F)cc5)n(C)c4c3)CC2)cc1 9406235 GHXVXZGHVBLJBM-UHFFFAOYSA-N 490.604 4.976 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2 14467882 KUIPQBYSRUHPOM-KLMMPHRKSA-N 495.428 4.983 10 10 JJCE CCc1ccc(N(C2CCN(Cc3cccc(OC)c3O)CC2)S(=O)(=O)c2ccccc2)cc1 34683975 UMOCNVMISQJKPQ-UHFFFAOYSA-N 480.630 4.823 10 10 JJCE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990409 PRLKCLRUIQYNNC-FPXKJXHESA-N 472.680 4.676 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 97478400 JUJWYZKYGXUSCU-JKGLIZDUSA-N 465.579 4.921 10 10 JJCE Cc1ccc(OCCOCCOc2ccccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 102465228 GLHVUWBJJYFFNG-PTLCIYQVSA-N 492.601 4.745 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526307018 HEKYOIODIITEJR-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE O=C(Nc1cccc(C(=O)N2CCCCC2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586717411 LPXKMTIIOWNESX-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4F)n(-c4ccccc4)n3)CC2)cc1 1862339581 ZJKYZOZHFOGFTB-UHFFFAOYSA-N 474.511 4.789 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864021109 KJQBUHNMHHANRS-XMSQKQJNSA-N 484.641 4.682 10 10 JJCE CCN=c1nc(Nc2ccc(-c3ccccc3C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871639409 HFEGVJZMYFZWKW-UHFFFAOYSA-N 495.631 4.780 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)CC2)cc1 1874749050 AESRLHGYJAZHMG-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE Cc1cccc(C)c1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2296397984 LHNNPQUGPUSPAM-UHFFFAOYSA-N 483.524 4.592 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1cccc(Cl)c1 2297317670 NTPOBGVBCBVMFQ-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)o1 2297533592 SZPZFHFDGLAVDB-UHFFFAOYSA-N 458.257 4.931 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(N(C)c4ccccc4C(=O)O)=NC3=O)o2)c([N+](=O)[O-])c1 2314556964 FMBYMJZSMQHPHK-UHFFFAOYSA-N 463.471 4.968 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1cccc(Cl)c1 33316240 IMBZPAJQYQXPKQ-ZDLGFXPLSA-N 464.821 4.942 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33781518 AELLXRLBYKWEHQ-DEDYPNTBSA-N 494.617 4.534 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 206719063 NHPWPBSYDGEMEO-GHVJWSGMSA-N 494.638 4.928 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)cc3)SC2=S)cc1 210413684 UZHRCPADEPNGOO-HKWRFOASSA-N 456.589 4.792 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 1084297467 DDANLRWFYRXDEH-MOSHPQCFSA-N 450.853 4.725 10 10 JJCE Cc1cc(I)ccc1N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 1860086963 RYKRVEJNFYFPMU-OQLLNIDSSA-N 453.326 4.711 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)CCCC5)n(-c4ccccn4)n3)CC2)cc1 1862359107 ZCZGVUKUODJBLK-UHFFFAOYSA-N 493.611 4.784 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(C(C)(C)C)cccc3c2=O)N2CCCCC2)cc1 1866434658 LLWQLCCOZMYGGT-VWLOTQADSA-N 474.649 4.849 10 10 JJCE CCCOC(=O)c1ccc(CNC(=O)c2ccc3[nH]c(-c4ccc(N(C)C)cc4)nc3c2)cc1 1872743209 KQVNOPPHJNMPKP-UHFFFAOYSA-N 456.546 4.793 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873166340 MFOXKUZTPKMTNQ-XMMPIXPASA-N 490.003 4.796 10 10 JJCE COc1cc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951739823 OUDGUXGLGVQELY-INIZCTEOSA-N 477.513 4.594 10 10 JJCE Cc1ccccc1OCCOc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2053496999 RXKZVLWMCCRWPS-UHFFFAOYSA-N 457.573 4.519 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)cc1I 2124514716 YUFXRRWUKRIKOL-LBPRGKRZSA-N 471.299 4.553 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3cscc3Br)cc2)CC1 2286073658 PUNWIXNRFIWZST-GOSISDBHSA-N 453.402 4.649 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1Cl 2296397958 JMOJERSWHNHLPK-UHFFFAOYSA-N 454.891 4.759 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2296881621 ROBWGRGBYTYGNR-ZDUSSCGKSA-N 486.354 4.773 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)c1 2296881755 ZAWVAUVLJJZEMF-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 2313557628 HZIPXZFAVHGNGH-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE CCOC(=O)CCCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314755017 NHPWPBSYDGEMEO-UHFFFAOYSA-N 494.638 4.928 10 10 JJCE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCCC)SC1=S 2314760407 JJYNVRZEUMJAJM-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837296 QQRCCSXBAKLTIM-NSHDSACASA-N 481.477 4.842 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)on2)cc1 2314913604 ARXKNLKBYAEIGE-UHFFFAOYSA-N 469.613 4.619 10 10 JJCE O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1c1ccc(N2CCOCC2)cc1 2321734456 CVCGTZNYVQUCOL-UHFFFAOYSA-N 450.507 4.948 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccccc3)N=C2c2ccccc2)c1O 2332124657 ARBLPGFFISQZPZ-UHFFFAOYSA-N 463.331 4.993 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127423 WZICXOOLQBQHRG-UHFFFAOYSA-N 460.917 4.950 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471732 MCQFLKVBDSIDTP-DPLHUUCSSA-N 453.564 4.842 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 15045772 UQUDFHAHSVPHLU-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 22170804 KKTJAJWPUMPAOF-WQRHYEAKSA-N 476.341 4.707 10 10 JJCE CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 101389664 OOXVBQYGTNUZTB-XMHGGMMESA-N 476.495 4.822 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)ccc1O 210712236 ASGDDQGXPUCEMI-XSFVSMFZSA-N 456.589 4.719 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@@H]1c1ccc(N(C)C)cc1 526527361 QLXXAFRBBBTGRE-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CC(C)[C@H](C(=O)NC1CCCC1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156898 RPKGFDGTLLXTEC-ABPVARSCSA-N 467.454 4.734 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)o1 1084471440 MVNXTUUXPRQJBF-ZHZULCJRSA-N 483.436 4.683 10 10 JJCE CC[C@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1 1869321367 UDBZBVRJCGKNPF-QFIPXVFZSA-N 473.621 4.866 10 10 JJCE CCOC(=O)c1ccc(CN2C(=O)C(N[C@H](C)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168393 UAJXNURTRZMRIC-LJQANCHMSA-N 499.611 4.939 10 10 JJCE Cc1cc(C=CC(=O)N(Cc2nc(O)c3ccccc3n2)C(C)C)c(C)n1-c1ccc2c(c1)OCO2 2040474173 IVCPNKWMFKJCGM-UHFFFAOYSA-N 484.556 4.922 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C(=O)OC)c1I 2079956868 IAMUWMZHZUJTLH-CQSZACIVSA-N 456.324 4.720 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080004038 VIEGJBGGMMCJKU-SFHVURJKSA-N 496.345 4.646 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080026914 ZTEWQZARVBZSKA-SFHVURJKSA-N 468.335 4.917 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296881640 SYJYBGKCTMSMKU-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2297463919 QEARMMQTDWQESB-UHFFFAOYSA-N 458.653 4.852 10 10 JJCE CCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(C(=O)OC)cc4)N=C3C)o2)c1 2297578168 ULUOBSLVGYHDJC-UHFFFAOYSA-N 458.470 4.716 10 10 JJCE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 2313548265 QLXRSMLWAKJPJF-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1)C(=O)O 2314929516 NTBKTDMOSGYWGG-IBGZPJMESA-N 498.626 4.772 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NC3CCCCC3)nc12 33529810 DZDBCBBWRTWMNO-UYRXBGFRSA-N 480.615 4.742 10 10 JJCE N=C1/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 33909733 RBAMYZNSAQDGCG-KQHQIWRUSA-N 473.945 4.981 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 39835966 SHLUVLNSFVPPEL-QGOAFFKASA-N 469.563 4.936 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)c3ccco3)CC2)cc1 56943785 QBMFSMUQGFOXMX-DEOSSOPVSA-N 498.023 4.779 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1C[C@@H]1CCCO1 59109226 KSPXYCGKTJCTNN-FUDBJYBQSA-N 472.339 4.553 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(CN2CCOCC2)c1 110738976 OXVVQQRUVSXLRT-MUUNZHRXSA-N 452.554 4.897 10 10 JJCE C/C(NCCc1c[nH]c2ccccc12)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 205952223 NYCVCGHERQVKHE-XIEYBQDHSA-N 465.513 4.933 10 10 JJCE CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H](c1ccccc1)C(F)(F)F 728499204 RWDQBMSTWJLBKX-JOCHJYFZSA-N 468.387 4.746 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc(OC)c1OC 1084650596 KLYXMECEOICOBG-MFOYZWKCSA-N 450.969 4.637 10 10 JJCE CCCc1cc(=O)oc2c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@H]34)c(O)ccc12 1614472987 ZACLMVXAZADIAF-ZJSXRUAMSA-N 456.627 4.554 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)c(Cl)c3)cc1C2=O 1772611326 QZXJAJFODRAMAF-UHFFFAOYSA-N 491.883 4.527 10 10 JJCE O=C(Nc1ccccc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860508547 FJJJNLXRQZXRKY-UHFFFAOYSA-N 462.465 4.753 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)O[C@@H](C)C4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867977797 DBKLNILDCVPJGX-PMACEKPBSA-N 494.039 4.746 10 10 JJCE CCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657842 SPUCBNLKMMGPRP-UHFFFAOYSA-N 482.024 4.670 10 10 JJCE COCCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870985347 GKQBGJMOTZDEJN-UHFFFAOYSA-N 451.567 4.654 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169468 NRWYOHPHTGWYGY-GOSISDBHSA-N 481.600 4.681 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1Cl 1873421464 ZLVDEVJQZSPEIM-UHFFFAOYSA-N 493.007 4.510 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2079971731 LGRAWPDMUFHWNP-ZDUSSCGKSA-N 456.324 4.720 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080043140 QBJGOAQOSBTLJR-AWEZNQCLSA-N 494.251 4.615 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2294094941 FRSALIPXDMWDSD-UHFFFAOYSA-N 464.890 4.627 10 10 JJCE COc1ccccc1N1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)NC1=S 2296154730 YTUSEXNLJYUZQI-UHFFFAOYSA-N 453.523 4.675 10 10 JJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2313681775 NBJZNGCIPXLYJA-UHFFFAOYSA-N 493.564 4.910 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2314509148 SNLKDLQXHLAEIB-UHFFFAOYSA-N 451.573 4.652 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)ccc1OCCC(=O)O 2314931510 GMVVVJDWZOTQAP-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE COc1ccccc1C=C1SC(=S)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 2321721387 VHTHXBABWINFLI-UHFFFAOYSA-N 457.532 4.876 10 10 JJCE CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14462215 JXUYRSJHQZUIRI-HZMCFHPPSA-N 481.662 4.817 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467265 HEOYLKXJQFXWOF-CKJXQJPGSA-N 481.401 4.546 10 10 JJCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33421732 ZOSIDVZGPCGOHL-JDKNLOAYSA-N 487.928 4.622 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N(CC)CC)SC1=S 33475940 LRQJRMMLTXCKIZ-XMHGGMMESA-N 460.669 4.676 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 33718560 XAQMTKGOMZBPPT-JBMLUDNBSA-N 499.936 4.865 10 10 JJCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)o2)cc1 34990090 JASRJFINXXOJAY-ODLFYWEKSA-N 491.015 4.649 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 40006440 XSIRKRPVVXSDLX-MOSHPQCFSA-N 457.573 4.649 10 10 JJCE CN(C)c1ccc(CN(Cc2ccco2)C[C@@H](O)COc2ccc(Br)cc2)cc1 40316722 ZTTWVIISPXVKBM-OAQYLSRUSA-N 459.384 4.550 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(Cl)c4)c3[N+](=O)[O-])CC2)cc1 40591268 XTSZVOWOEGQFME-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 207318763 OFMJXXXWQWUJPA-XDHOZWIPSA-N 496.589 4.840 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 213153245 XBZHNCGMDKMPQZ-LGMDPLHJSA-N 455.536 4.627 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 526632426 MGIGYAQXHBVUJF-DEOSSOPVSA-N 478.520 4.975 10 10 JJCE Cc1ccc(CCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860515087 ZCLVSGKZFQEFIM-UHFFFAOYSA-N 489.531 4.989 10 10 JJCE CCCCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871118984 HXCYSJGJIKXYNV-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE CCOCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871144758 ZAQMBIQHBUZRAW-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873164091 LMFTXWPXHZKSRB-UHFFFAOYSA-N 491.551 4.633 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873164180 PNAFNJAQVRMAKX-UHFFFAOYSA-N 469.516 4.896 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3F)o2)SC1=S 2040479916 CWZJJRBDCJRELL-GOSISDBHSA-N 453.516 4.983 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)cc1C 2079958424 UXLOMCFPADKEGE-LJQANCHMSA-N 454.352 4.815 10 10 JJCE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2296705027 GWPCRMCKGAOGRF-UHFFFAOYSA-N 482.675 4.773 10 10 JJCE COC(=O)c1c(NC=C2C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C 2296800617 JLXULNYSOWPBID-UHFFFAOYSA-N 455.536 4.517 10 10 JJCE CCN(CC)CN1C(=O)C(=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2313621529 ORHGDYCMLPUNOW-UHFFFAOYSA-N 458.008 4.762 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314413632 CREJOTXQWFIQJB-OAHLLOKOSA-N 456.637 4.747 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2314837235 PVMHKXJUGLGIRK-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE O=C(O)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC1=S 35446997 MNRTXIQCFSPWNS-AWQFTUOYSA-N 479.627 4.626 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC4CCCCC4)cc3)SC2=S)s1 39793653 COARULAJHOFDBD-AQTBWJFISA-N 488.660 4.788 10 10 JJCE CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)C1 96480297 YYYJRPMPZDBSKY-VRMLFSPKSA-N 480.586 4.520 10 10 JJCE COC(=O)c1sccc1N/C=C1\C(=O)N(c2ccc(OC(F)(F)F)cc2)N=C1C(F)(F)F 100278023 SSYIFSYLRQEGFM-FLIBITNWSA-N 479.358 4.694 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 103801926 ZQBAODTWGCPNNJ-RFDSHWNLSA-N 483.933 4.823 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526155673 UVOLYQZHHLCEQN-OAQYLSRUSA-N 468.303 4.926 10 10 JJCE CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H](c1ccccc1)C(F)(F)F 728499205 RWDQBMSTWJLBKX-QFIPXVFZSA-N 468.387 4.746 10 10 JJCE CNC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866193438 SMBKXUFPDLEAPA-HZPDHXFCSA-N 493.423 4.764 10 10 JJCE CN(CC(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1nc2ccc(OC(F)(F)F)cc2s1 1891645767 TVXPNKZUCGGFLU-WMZOPIPTSA-N 490.551 4.936 10 10 JJCE COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1=Cc1cc(C)n(-c2ccccc2)c1C 2294082173 LWBPRFKKSGLRQA-UHFFFAOYSA-N 456.542 4.976 10 10 JJCE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2297350212 KFDPHHYSTUFYGC-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 2314533666 SVEFGRXRHPTAJU-UHFFFAOYSA-N 466.496 4.888 10 10 JJCE COc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 2314837340 RCCMRDQBZQHNAM-GFCCVEGCSA-N 466.506 4.942 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@H]32)c1O 14459702 RWVPUVLNAPGXJR-KHCICDEESA-N 454.592 4.648 10 10 JJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462889 COYULCCRYSQAME-FXSPECFOSA-N 451.636 4.573 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14471709 JGVGFGAKTDTCSJ-IMSXRSKXSA-N 453.564 4.986 10 10 JJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15047266 MKJNQCSFWLAJHK-XBDQXEDDSA-N 481.382 4.920 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 59377833 KKPGVSRFKLCOAI-STZFKDTASA-N 486.615 4.932 10 10 JJCE O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 80345708 QTXWRLUAQRJRRW-XDHOZWIPSA-N 493.810 4.984 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1 95959937 DFZSPYYUOSNLDT-XBWYWLENSA-N 474.586 4.627 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)c1 526165939 PXPZLMZPOPBPRH-RUZDIDTESA-N 470.481 4.720 10 10 JJCE CCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 1084506150 QACOKAVZBHLQEK-GZTJUZNOSA-N 477.405 4.897 10 10 JJCE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1 1690754794 IGUKGOIFNVNMAI-XLEPWJDSSA-N 455.653 4.961 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccc(C)cc1 1860665010 GDVWQFRQLIFTPR-OAQYLSRUSA-N 491.613 4.633 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncc(C)s2)sc(C)c1-c1ccc(OCC)cc1 1860767667 BLBDGDOZCLHVDF-UHFFFAOYSA-N 473.576 4.641 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)CC2)cc1 1862281201 KQLRMDUTWDRTDX-MHZLTWQESA-N 485.628 4.813 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(O)ccc(Cl)c3c2=O)sc(C)c1-c1ccccc1 1866466572 OILKAVNVCFDNGQ-UHFFFAOYSA-N 468.918 4.963 10 10 JJCE CCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870619018 AVNFEDYNSFNEPO-UHFFFAOYSA-N 475.633 4.867 10 10 JJCE COc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871287006 FDXSTYDWDNRDTI-RGVLZGJSSA-N 456.589 4.570 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccc(C(C)(C)C)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871303812 CYZZFVLASQUXPU-UHFFFAOYSA-N 462.554 4.761 10 10 JJCE CCOCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422688 JZXBHONWENFNSF-UHFFFAOYSA-N 479.527 4.991 10 10 JJCE CC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1 2293215366 BYNFFZVISOAIIZ-UHFFFAOYSA-N 455.337 4.667 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 2293370047 HLYGDOUYOOTCRU-UHFFFAOYSA-N 493.357 4.807 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 2294134106 SWGJZMPXZABMBS-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348221 VHCSLFQZCAUTJZ-UHFFFAOYSA-N 477.458 4.514 10 10 JJCE O=C(Nc1nccs1)C(Cc1ccccc1)=C1SC(=S)N(Cc2ccccc2)C1=O 2314487232 OGODIYMLZZTXEC-UHFFFAOYSA-N 451.598 4.639 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 2314563124 DUYFVCBHCPJEEL-UHFFFAOYSA-N 469.613 4.843 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314828138 QQHFTKMDUWUCBE-UHFFFAOYSA-N 474.563 4.892 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 8646923 PEUIHLVPSKCEPW-HHHXNRCGSA-N 488.544 4.776 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 33332237 HLYGDOUYOOTCRU-NDENLUEZSA-N 493.357 4.807 10 10 JJCE COCCNc1nnc(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)s1 36209939 SUJKHSAQDCGSLG-UHFFFAOYSA-N 470.542 4.998 10 10 JJCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990386 KNEJZZMPQGRFKQ-MOSHPQCFSA-N 472.680 4.674 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)N(CCO)c2ccccc2)C1=O 102946401 PCKIPJKXJUHGIU-UPYNRUSISA-N 466.628 4.640 10 10 JJCE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCSc1nccs1 1705677813 CNGGRZPOVFUCIG-JOCHJYFZSA-N 457.600 4.627 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)cc(Br)c1O 1865666125 FCLQNJYOARTTLP-AUWJEWJLSA-N 469.257 4.816 10 10 JJCE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C(=O)O)c1 1865902605 ZYWDYTAZLIXBMK-UHFFFAOYSA-N 493.313 4.504 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873169190 DIQHPWQHTZMKIA-UHFFFAOYSA-N 498.671 4.738 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079985493 OADBTWABJDXJNC-SFHVURJKSA-N 498.361 4.892 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CCN(Cc2ccccc2)C2(CC2)C1 2194937714 LXVUIGFREVBTQV-NDEPHWFRSA-N 464.654 4.674 10 10 JJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2296537484 QDLASEKCTCQBCX-UHFFFAOYSA-N 453.564 4.916 10 10 JJCE COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 2313547730 ALDMTGODLHTUAT-UHFFFAOYSA-N 456.542 4.829 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 2314836044 YZSGIEMAQQJPET-UHFFFAOYSA-N 464.568 4.745 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 20236267 GURVFPBATGVPDB-JOPZDBJVSA-N 497.935 4.655 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 32964471 SOHGKQGEWOVLTA-HORDIMCOSA-N 462.535 4.893 10 10 JJCE O=C1N=C(O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(=O)N1c1cccc(C(F)(F)F)c1 33335032 PNKTVTBGFOBKSO-UNOMPAQXSA-N 455.436 4.911 10 10 JJCE CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OCC 40939957 ZWVZSZXXMVJIFZ-PDGQHHTCSA-N 462.980 4.684 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 59377632 NPODGUJEPQDNHD-DEDYPNTBSA-N 472.588 4.629 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526139637 LOZBCQVCGUVKOL-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1O 1653217064 PVOOVNCPKURUEC-JTQLQIEISA-N 450.720 4.912 10 10 JJCE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705525436 IQKDNSIWWPRJIE-UHFFFAOYSA-N 481.442 4.696 10 10 JJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCC2)C1=O 1873167589 OEFDEZVUEPUZQT-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE CCCCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421485 AQCCXEKPDCVZRC-UHFFFAOYSA-N 471.557 4.873 10 10 JJCE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCC 1873554169 JQKUYRKYMSZYIL-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)c(O)c1 2079039168 AIBUESZDYGOCKQ-QGZVFWFLSA-N 453.368 4.647 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1C 2293163940 YVGDZMZXUHJQJW-UHFFFAOYSA-N 472.541 4.621 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 2294216994 WZKJQQPXFSSVPC-UHFFFAOYSA-N 474.538 4.571 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2296038060 GPMMOGJZHSUYDI-UHFFFAOYSA-N 459.390 4.942 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2296546390 WWFWRYIWNBKNLP-UHFFFAOYSA-N 478.643 4.722 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCCC(=O)O 2314932075 KBRQISBHHPUXOF-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314933716 CQNGKMGRQVEPPJ-GFCCVEGCSA-N 463.964 4.996 10 10 JJCE CCOc1cccc(C=C2SC(=S)N(c3cc(OC)c(Cl)cc3OC)C2=O)c1O 2321629431 PLNZOEWJOKCXKF-UHFFFAOYSA-N 451.953 4.867 10 10 JJCE Brc1ccc(I)cc1Sc1ncc(CNC2CC2)s1 2338334576 FTOXJDWBYUZFFZ-UHFFFAOYSA-N 467.195 4.913 10 10 JJCE COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1cc(C)n(-c2cc(C)ccc2OC)c1C 1157168 XTDCQDMHFNSBOX-HYARGMPZSA-N 460.530 4.877 10 10 JJCE Cc1cc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)c(C)n1-c1ccc(F)cc1 9658851 ZLKLXCCKHPAAHA-UHFFFAOYSA-N 473.533 4.705 10 10 JJCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15040415 VCZQEXDAOZXBNY-QNGOZBTKSA-N 478.595 4.565 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1 15043739 XFLBTJXRBKBRLW-CYVLTUHYSA-N 455.561 4.995 10 10 JJCE CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C)c(C)c2)SC1=S 27531691 PGKZYWFELDFXGV-DEDYPNTBSA-N 458.561 4.891 10 10 JJCE COCCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 39836114 NBLYVNJDWPUQLO-XSFVSMFZSA-N 495.626 4.650 10 10 JJCE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066854 IUMKIMUWFBHQGK-JAIQZWGSSA-N 484.622 4.799 10 10 JJCE CCOc1c(Br)cc(Br)cc1C=C1C(=O)OC(C)(c2ccccc2)OC1=O 59337113 YZYUWHNJQCREMB-UHFFFAOYSA-N 496.151 4.967 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 103494235 AEYLYMLBTCWXDV-PGCFBHMESA-N 464.547 4.572 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1F 731404374 KYKFJJOIHYVAHC-LJQANCHMSA-N 469.536 4.950 10 10 JJCE Cc1cc2oc(=O)c(CC(=O)NCCc3ccc(O)c(O)c3)c(C)c2c2occ(C(C)(C)C)c12 1860283379 VFEMBXFJTRERSK-UHFFFAOYSA-N 463.530 4.766 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc2[nH]ccc12 1860343594 IGJFGCZKCBOTOO-UHFFFAOYSA-N 459.509 4.694 10 10 JJCE CCCC[C@H](NC(=O)[C@H](C)C1CCCC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867016106 UIVKRBQORRAEEB-HXOBKFHXSA-N 460.574 4.902 10 10 JJCE CC[C@@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1 1869321366 UDBZBVRJCGKNPF-JOCHJYFZSA-N 473.621 4.866 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(CO)c2I)C2(C)CC2)cc1C 2079987068 RMMWLUKGEAFUOV-SFHVURJKSA-N 452.336 4.569 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052170 JNBIJOXGKSBSTL-AWEZNQCLSA-N 467.273 4.533 10 10 JJCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2163165806 UGMZINFWYRBUSE-NRFANRHFSA-N 474.646 4.692 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2194917519 RDOUVBFXZGAUOS-AUPQMISCSA-N 465.638 4.860 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2294229291 HHRARRALGREBDN-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1cccs1 2296397904 GJXGVFGSLCZIRX-UHFFFAOYSA-N 457.554 4.970 10 10 JJCE CN1C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2ccccc21 2297318865 FCILAVLPAJIILJ-UHFFFAOYSA-N 464.363 4.543 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2297561450 BYQAZQDXEGLFJG-UHFFFAOYSA-N 467.650 4.659 10 10 JJCE CC(C)[C@H](C(=O)NC(C)(C)C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297579969 BYWRTOQZGATABY-OAHLLOKOSA-N 455.443 4.590 10 10 JJCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 2313549447 WOXGTFGGPHINFF-UHFFFAOYSA-N 495.329 4.676 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139646 DEPPQGXPNFUGQY-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13640941 CKVUOQPROUORLE-GLDPYIMESA-N 472.607 4.569 10 10 JJCE COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4F)n3C)c2C)cc1 36807562 UGNYDTXOOOTHMI-UHFFFAOYSA-N 478.549 4.790 10 10 JJCE Nc1ccc(OCC(=O)Nc2c(Br)cc(Br)cc2Br)cc1 38055666 NHLSDMBIBLMPLU-UHFFFAOYSA-N 478.966 4.574 10 10 JJCE O=C(O)CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S 39868047 LGKXVVADZDWYAF-LNNYTJQRSA-N 467.568 4.762 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 101403764 RYSDPYWIJZHCGV-MFPLPEIISA-N 461.330 4.706 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526282552 VQCWCJIJJVTTDR-RUZDIDTESA-N 487.512 4.829 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc4ccccc34)c3ccccc3)CC2)cc1 1862240221 TWNUVFLCVPGNAD-NDEPHWFRSA-N 479.580 4.668 10 10 JJCE CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2Cc2ccccc2)cc1 1862360910 KWCABCIJSOEACL-UHFFFAOYSA-N 496.611 4.968 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)N2CCCCC2)cc1 1866144860 BPEDDAGWOFRWKJ-LOSJGSFVSA-N 455.046 4.718 10 10 JJCE CCOc1ccc(-c2nc(N3CCCCC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867992980 IXCHUXRSAXVEAK-UHFFFAOYSA-N 473.621 4.868 10 10 JJCE COc1ccc([C@H](C)NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873937395 LZUYUPBFAHKKMK-SLQAJWMNSA-N 494.595 4.674 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 2040498796 PRHLZYLFZOHYKC-UHFFFAOYSA-N 488.679 4.623 10 10 JJCE N=C1C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 2293100708 WTJIQGOMPJAOCC-UHFFFAOYSA-N 468.538 4.812 10 10 JJCE CCOC(=O)CSCCOc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1OC 2293152584 IACTWDFHXRFREI-UHFFFAOYSA-N 489.640 4.776 10 10 JJCE Cc1cc(C)cc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c1 2297310346 DHHMDQFDZJQEHH-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313560402 RYBARVWMWOXUKB-UHFFFAOYSA-N 491.931 4.543 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2314764735 KYHXEWUMTXXSCS-UHFFFAOYSA-N 477.405 4.784 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCC2)SC1=S 33811872 PARVKOQFTRLOAE-VJOZSWGJSA-N 472.680 4.583 10 10 JJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3cccc(Br)c3)C2=O)c1 59377561 CEIVMYLFPPGABK-RQZCQDPDSA-N 465.394 4.737 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 83312761 PLRJGXRRGBJLPV-ODLFYWEKSA-N 497.320 4.637 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 102975777 DXTUISJJJQVOHB-RXWSAZGZSA-N 480.523 4.752 10 10 JJCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705510474 QHMDANPXDVCXKP-XMMPIXPASA-N 486.664 4.849 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnccc1OC 1705870078 MGRUZTJQLCTATO-UHFFFAOYSA-N 454.578 4.983 10 10 JJCE CCCC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852303 IYTRMVVBGGRBJX-UIOOFZCWSA-N 482.644 4.524 10 10 JJCE O=C(C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868171169 TXKWVLUJJMTJGK-OAQYLSRUSA-N 453.494 4.756 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868687807 IOAFBWOVFZYQHX-POURPWNDSA-N 491.676 4.829 10 10 JJCE Cc1cccc(OCCOc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871211747 ILBMPJDIKJREFD-UHFFFAOYSA-N 485.584 4.963 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169934 IOOZMTGTOLUROP-CJFMBICVSA-N 476.665 4.684 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170471 AWTBYWRNIOZDOT-SANMLTNESA-N 483.612 4.575 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052157 JHVNLDHELDMDPH-OAHLLOKOSA-N 479.284 4.677 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296727092 PMEPCZYVNJEKKK-NRFANRHFSA-N 477.611 4.928 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2cc(OC)c(OC)c(OC)c2)cc1 2313682587 GQSWSAFSPASYPR-UHFFFAOYSA-N 491.519 4.997 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 2314836621 HOEYSIQBCNBQQL-GFCCVEGCSA-N 462.980 4.673 10 10 JJCE CCNc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641860 ZGZZZDPBKLYYDK-UHFFFAOYSA-N 482.540 4.522 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 33606599 ZXFBHLWYMUVMAU-XDJHFCHBSA-N 481.599 4.887 10 10 JJCE CCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OCC 40928073 WLCCTQAGGIRJGG-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)n1-c1ccccc1 62694246 DAWQVDSIJCAZNM-UHFFFAOYSA-N 469.507 4.754 10 10 JJCE O=C(C1=CN(c2cccc(C(F)(F)F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 65096307 PKNAXXQVCPLRLF-UHFFFAOYSA-N 454.445 4.624 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 102792003 XBSUEWLGVNVXCO-IKQNTSMISA-N 478.574 4.881 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 526151392 BLAQZQNLSHQYJT-JOCHJYFZSA-N 451.450 4.701 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526179549 WZSRMZSZFCAWDT-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526218242 JYJALPQNFYVFTP-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(Cl)cc4)[C@H]3c3ccc(O)c(O)c3)cc2)CC1 526388694 QWANHHNEUCMMBI-RUZDIDTESA-N 491.975 4.560 10 10 JJCE COc1ccc(-c2cc3nc(CN(Cc4ccccc4O)C[C@H]4CCCO4)[nH]c(=O)c3s2)cc1 797688326 FTUZIAJMODTEGA-HXUWFJFHSA-N 477.586 4.547 10 10 JJCE O=C(Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1)c1ccc(F)cc1 1860504787 RHCCYRODEBIZPY-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014579 YRMYEJUTMHCBGV-QHCPKHFHSA-N 496.652 4.827 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668398 VFSMWRQJHZRFAE-HYARGMPZSA-N 458.514 4.551 10 10 JJCE CCCCOCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165133 DANOHTCTOFAYFI-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cc(Br)cc(C(F)(F)F)c1 1891740168 KRPSPGCJGQUYCY-KSSFIOAISA-N 489.357 4.935 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc2ccccc12 2040481821 ZTNAUYQKIKZFKM-UHFFFAOYSA-N 464.568 4.697 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2053515755 INYVQNWPLNOJQV-QGZVFWFLSA-N 476.627 4.647 10 10 JJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079006451 ZAJDAHXLEQLNGM-MRXNPFEDSA-N 466.319 4.641 10 10 JJCE Oc1cccc(Br)c1Cn1nc(C2CC2)c(C2CC2)c1I 2079781413 VZZJFQNRILKUHV-UHFFFAOYSA-N 459.125 4.759 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(CN)c2I)C(C)(C)C)c(O)c1 2079845154 QORDUMUBGGCMFF-QGZVFWFLSA-N 471.383 4.594 10 10 JJCE CN1CCCc2cc([C@@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163098970 ZBQDJYCWOZGBGK-NAKRPHOHSA-N 466.622 4.946 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1C 2295852218 OQIUCNXCCPVIPN-UHFFFAOYSA-N 479.583 4.532 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 2296398109 UDNADLQZIVYVEI-UHFFFAOYSA-N 465.509 4.673 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2296547576 CPFDKPKKXBMADA-KRWDZBQOSA-N 490.654 4.565 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 2296660224 PGNKSKIGNYBXEY-UHFFFAOYSA-N 482.949 4.843 10 10 JJCE COc1cccc(C=C2C(=N)N3C=CSC3=NC2=O)c1OCCCOc1ccc(C)c(C)c1 2297313907 NPHYMKSGZTWDPZ-UHFFFAOYSA-N 463.559 4.937 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)cc1 2297344252 CDEATRVDNVXGST-UHFFFAOYSA-N 470.510 4.709 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 2297344774 XVAFATWNNWXQMC-UHFFFAOYSA-N 463.519 4.983 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)O)SC2=S)cc1 2314930603 GMULIUSBDSSQOU-OAHLLOKOSA-N 456.589 4.791 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562656 JTBLXROMAIZZHY-PGMHBOJBSA-N 482.675 4.718 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 1083910951 HZHGBGPCIDQLSW-AQTBWJFISA-N 466.921 4.889 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1 1858586417 HEVFRVSUSKOSBZ-OQLLNIDSSA-N 450.010 4.810 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)c2nccn2C)cc1 1866014100 QSXUMQYEAXRALA-JOCHJYFZSA-N 461.393 4.858 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 1867862482 LLIPXLPMBHFKCL-SANMLTNESA-N 492.708 4.902 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)SC1=S 1871287247 MEVGRFNRYSNRLA-RQZCQDPDSA-N 480.533 4.979 10 10 JJCE COc1ccc(OCCN2C(=O)C(NCC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167168 VFXVJGIABMIEBE-UHFFFAOYSA-N 487.600 4.507 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(Cl)c3C)cc1C2=O 1873904712 YJXHEYFKIBBYBU-UHFFFAOYSA-N 491.883 4.527 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2079998996 FNHSNSYTWQUHKF-QGZVFWFLSA-N 480.346 4.949 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 2296881673 VKHYLPDDLYPAGV-UHFFFAOYSA-N 464.656 4.932 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 2297321471 JWVYODMWRQRNTL-UHFFFAOYSA-N 474.586 4.500 10 10 JJCE N=C1C(=Cc2ccc(SCc3ccco3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 2297348111 IVRHHSBWIYJXHQ-UHFFFAOYSA-N 464.528 4.863 10 10 JJCE COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313547734 AQOQPNHNIFNSMY-UHFFFAOYSA-N 479.330 4.894 10 10 JJCE CC(=O)c1sc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)nc1C 2331594975 XKDNATYOBXOKAU-UHFFFAOYSA-N 489.644 4.529 10 10 JJCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc21 11857555 DUVXBZYCMXPLJS-UHFFFAOYSA-N 483.615 4.625 10 10 JJCE CCc1cccc(NC(=S)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)c1 20729356 IKIMFASUHUDZGE-UHFFFAOYSA-N 466.695 4.553 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCOCCOc1ccccc1 27531729 FEYXZLUMJQBHQU-PLRJNAJWSA-N 472.541 4.976 10 10 JJCE COc1cc(Br)c(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1OC 33319860 IOEDDJLAOIXGKJ-QPEQYQDCSA-N 481.755 4.791 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39989745 OSVGCJDTSMCVAC-SJJRUYGKSA-N 486.707 4.922 10 10 JJCE CCc1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Br)cc1 41017543 LJUABFYKZJTJFU-UHFFFAOYSA-N 468.354 4.844 10 10 JJCE C[C@H]1CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 211942577 AHMQMUATQOKZDF-SCBQMXHTSA-N 488.675 4.625 10 10 JJCE Cc1cc(CCNC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c(C)n1-c1ccccc1 1328749915 AARACYAJKDKSKQ-SANMLTNESA-N 456.590 4.794 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCOC)C[C@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 1614472176 NIWGNJSJZZMLKX-QPPBQGQZSA-N 456.627 4.554 10 10 JJCE Brc1ccc(-c2nnc(N3CCSCC3)n2CCCSc2nccs2)s1 1649537599 LEMZCWUWKGCHCJ-UHFFFAOYSA-N 488.527 4.961 10 10 JJCE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSc1nccs1 1705713803 UBSMZFIUSXWQMU-UHFFFAOYSA-N 457.625 4.758 10 10 JJCE CC[C@H](C)OC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857768 HESLEZHRMGAHPV-JKSUJKDBSA-N 487.512 4.610 10 10 JJCE CC1(c2nn(Cc3cccc(Cl)c3O)c(I)c2C(F)(F)F)CC1 2079716816 JVALCWDZBBCIBN-UHFFFAOYSA-N 456.633 4.965 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2205549662 QJHNIQAQGNZJBT-AKIFATBCSA-N 465.638 4.960 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC)C(=O)O 2314931714 HVDFWKBEKLWFHT-HNNXBMFYSA-N 463.964 4.996 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccc(C(=O)O)cc2)cc1 2332139611 ZKCQVUXTRDNKPL-UHFFFAOYSA-N 477.314 4.990 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NCc1cc(Cl)cc(Br)c1O)C2 2358598650 FENRFKVWLHPHEN-PBFPGSCMSA-N 459.812 4.933 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CC(NCc3cc(Cl)cc(Br)c3O)C[C@H](C2)C1 2365530821 RMIFIZNZMSSUCU-STQMWFEESA-N 459.812 4.933 10 10 JJCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 14550837 RSRHPEKQPRDZMO-SLSDLSHTSA-N 461.543 4.900 10 10 JJCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15048113 LDZCRMALHKLLLA-TYYMKKSVSA-N 482.627 4.705 10 10 JJCE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 18747008 CCEGVVUPIKPULM-DEOSSOPVSA-N 486.524 4.513 10 10 JJCE O=C1/C(=C/c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33781646 BEYJQUTUDBZZHC-UYRXBGFRSA-N 480.590 4.590 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc(OC)c1OC 59382189 GTZNOVQWRYYGEQ-LICLKQGHSA-N 495.420 4.746 10 10 JJCE Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(N(C)C)cc5)C4)nccn3n2)c(C)c1 64958866 ZCLVRFVPYJQFBI-HSZRJFAPSA-N 482.632 4.612 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S)c1ccccc1 95927045 LPHYWPMBCXAUOS-XLNRJJMWSA-N 476.579 4.691 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NC2Cc3ccccc3C2)cc1 206229310 XBBAXDDJAGLNHW-CJLVFECKSA-N 466.566 4.697 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526173321 INEQDVSXCAXURA-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526377162 OEKAKIMBAUDSPT-VWLOTQADSA-N 493.512 4.580 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 526632427 MGIGYAQXHBVUJF-XMMPIXPASA-N 478.520 4.975 10 10 JJCE Brc1cc(CNCC2CCN(Cc3ccncc3)CC2)ccc1N1CCCCC1 1657636952 JSEMTTWVZXACJQ-UHFFFAOYSA-N 457.460 4.836 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(C)cc3)C(C)C)c3ccccc3)CC2)cc1 1868843645 DQATVOZJGAAXLC-URLMMPGGSA-N 499.655 4.950 10 10 JJCE CCCCCCOc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672690 BGLDFUIGYOGPCT-UHFFFAOYSA-N 455.643 4.794 10 10 JJCE CCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871528258 XDOSCTDOJXZBRA-UHFFFAOYSA-N 489.668 4.981 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1873168118 JORQBKCBZDPSNU-HXUWFJFHSA-N 464.654 4.684 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccccc4F)c4ccccc34)[C@@H]21 1873862384 YFDYWWACTXLEQK-HHHXNRCGSA-N 468.532 4.956 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2053466803 FELPSSSNNHLGDJ-UHFFFAOYSA-N 465.600 4.679 10 10 JJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2053499112 ZFMHQCRVNLJSLA-UHFFFAOYSA-N 466.544 4.677 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2079014024 UTKGLQWIZYIQJS-IBGZPJMESA-N 451.352 4.617 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080054299 OIRRVYVEGCABKG-MRXNPFEDSA-N 486.350 4.833 10 10 JJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c(CCC)[nH]n(-c2ccc(F)cc2)c1=O 2293465053 OPMINFFMPJJRIE-UHFFFAOYSA-N 450.489 4.983 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1 2314648151 RAWXVLQDKCVLET-IBGZPJMESA-N 453.633 4.914 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 1201491 KSKXZSRQSWQZTB-FYJGNVAPSA-N 460.446 4.518 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 33436310 UETZAEHAXXFRLS-BIWYMFDESA-N 484.965 4.836 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38620115 BHAAXQWZLQKZJL-JOCHJYFZSA-N 488.510 4.992 10 10 JJCE C[C@@H](Oc1cccc2ccccc12)C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 39920763 RCUZJJLAMHOVIM-WINIVTDRSA-N 480.568 4.971 10 10 JJCE COC(=O)c1ccc(C(=O)OC)c(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 54620955 HXHWKBHCJAHWPD-QFIPXVFZSA-N 460.461 4.854 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C 96544489 XJILHKRHXSEBDO-QJOMJCCJSA-N 472.541 4.621 10 10 JJCE CCCCS(=O)(=O)N(Cc1ccccc1F)c1cccc2c1C(=O)c1ccccc1C2=O 586189823 ROXWQFLFRMFSBM-UHFFFAOYSA-N 451.519 4.738 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)c1c(C)noc1C 1705574889 QYGBCLZCSZIQSO-LJQANCHMSA-N 466.589 4.834 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2ccccc2F)c1 1860503852 NZVXEXXSXJMZQV-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867092900 WTRGZGOFUBLCAX-HSZRJFAPSA-N 496.563 4.575 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5o4)n(-c4ccccc4)n3)CC2)cc1 1869971108 XNDUWUNAGUYTQV-UHFFFAOYSA-N 494.555 4.601 10 10 JJCE CC(C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1sc2ccccc2c1=O 1874179022 IDHPSNNEIKTHLD-QFIPXVFZSA-N 456.523 4.674 10 10 JJCE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)c2ccc(N3CCCC3)cc2)C1 2268749602 CBZMYMVOXQYSMY-DEOSSOPVSA-N 452.595 4.774 10 10 JJCE CCc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)o3)C2=O)cc1 2297559045 GILNPLSAJGBWGS-UHFFFAOYSA-N 486.528 4.869 10 10 JJCE COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2c1 2297560635 UMXFTHYYYFHCNU-UHFFFAOYSA-N 487.364 4.995 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)o1 2313553138 KCNHIQVSQYXVJL-UHFFFAOYSA-N 459.458 4.700 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(O)cc1 2314831240 GMOFPHMOBBHRKD-UHFFFAOYSA-N 471.560 4.701 10 10 JJCE COc1cccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)c1 2321621502 FNJJCDZYUSZCLU-UHFFFAOYSA-N 452.351 4.578 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1cccs1 1117485 NRDIBYSYRLOTHD-NTEUORMPSA-N 484.418 4.960 10 10 JJCE O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccn1CCOc1ccc(Br)cc1 1119891 PVQXJITYISEGBM-ZHZULCJRSA-N 455.283 4.813 10 10 JJCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@H]2C=CC[C@H]21 14478034 YNHQZLFRQWIPIO-GLDPYIMESA-N 453.564 4.986 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2)N1CCc2ccccc21 20681688 RVULWGKMUQNUID-XMERXJNXSA-N 460.555 4.676 10 10 JJCE COc1ccc(N2CCN(c3ncnc(NC(c4ccccc4)c4ccccc4)c3N)CC2)cc1 40727803 CCWKKWMVZBXUAB-UHFFFAOYSA-N 466.589 4.596 10 10 JJCE O=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)=NC1=O)Nc1ccc(F)cc1 54201724 CODOCYKNDZACRT-JTHBVZDNSA-N 488.544 4.709 10 10 JJCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC=C(C)C)CC1 1286863514 USJRZDUVPNOPKF-UHFFFAOYSA-N 460.626 4.768 10 10 JJCE CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccc(C(C)(C)C)cc3)ccc21 1858033434 AJLPPPWAEYJSQY-UHFFFAOYSA-N 462.571 4.535 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858590215 CHCRTMQFECIEFF-DYGKOUCMSA-N 459.614 4.673 10 10 JJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858596701 YSOYFHFOHQEESA-MSOKUPKUSA-N 471.600 4.975 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccc(Cl)cc4)c4ccccc34)[C@H]21 1860347502 RVRVAKYYBUMWCB-MHZLTWQESA-N 484.987 4.758 10 10 JJCE COC(=O)c1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(C)cc1 1865872166 LTLIVKDHIUJHIK-UHFFFAOYSA-N 456.951 4.840 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)N2CCCCC2)cc1 1867774880 JDXDAFFBVCSEPI-IZLXSDGUSA-N 484.644 4.567 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5ccccc5[C@H]4C(C)C)nc(C)n3)CC2)cc1 1869288021 XSMDYGVRPGCQAX-MUUNZHRXSA-N 457.622 4.880 10 10 JJCE COc1ccc(CCN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165829 SZCAJOKPTFWQJD-UHFFFAOYSA-N 483.612 4.958 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C(F)(F)F)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421137 IPIJIYGRDBZOAS-UHFFFAOYSA-N 496.533 4.867 10 10 JJCE COc1ccc(-n2ncc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2-n2cccc2)cc1 1874016225 CVLSCOMXNMMTLH-UHFFFAOYSA-N 488.503 4.699 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)OC)c1I 2080004981 HXUCXVGJEGSUJE-CQSZACIVSA-N 470.351 4.894 10 10 JJCE O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 2296706102 XLGSRECMVMZQLM-UHFFFAOYSA-N 466.496 4.985 10 10 JJCE O=C(CN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1cccc(Br)c1 2296808111 TXTYMOHZDSIJFP-UHFFFAOYSA-N 459.390 4.845 10 10 JJCE CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1N=Nc1cccc(CO)c1 2297734887 HGPGYVKIDGLNEJ-SFHVURJKSA-N 470.352 4.940 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 2314829054 YZYPFGGAUUCGMZ-UHFFFAOYSA-N 467.355 4.532 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932120 KQICXCWKIGLBIC-LLVKDONJSA-N 494.388 4.715 10 10 JJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323829821 YSOYFHFOHQEESA-YCRPNKLZSA-N 471.600 4.975 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 15044379 CIGPNWRYYFHUCO-PGMHBOJBSA-N 498.626 4.969 10 10 JJCE CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 33305120 GHLZISWFOBIYAW-FYJGNVAPSA-N 463.584 4.920 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 34798209 AWMZCOHEKJZDLT-SFQUDFHCSA-N 453.614 4.703 10 10 JJCE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 35447082 IKRHLFPNJQSEKG-YDZHTSKRSA-N 474.630 4.643 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(Cl)c1O 38168609 TVNNDGYXDRBMKV-MLPAPPSSSA-N 465.687 4.714 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCCc1ccccc1 40938598 SCFCSZWKDJUTBO-XLNRJJMWSA-N 485.627 4.861 10 10 JJCE Cc1ccc([C@@H](CCN/C=C2/C(=O)N=C(S)N(C3CCCCC3)C2=O)c2ccco2)cc1 103115560 MMAQPGHSTRHRQU-JSZIULHXSA-N 451.592 4.571 10 10 JJCE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 103493943 FRXPNSNSQBFGNH-DMNVVODESA-N 493.545 4.636 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCc2ccc(O)cc2)cc1 205965308 CGOIUGDICLYDJQ-JJIBRWJFSA-N 484.581 4.868 10 10 JJCE O=C(NCc1ccco1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586620443 HKVQWFSECLARGX-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE CCCCNC(=O)[C@@H](C(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606671962 HLFLSFNOMNAZHW-UVQBRAAOSA-N 455.443 4.591 10 10 JJCE O=C(N[C@@H](C(=O)O)c1cc(O)cc(Br)c1O)OCC1c2ccccc2-c2ccccc21 642885088 YQJXGJKLAITXRO-HXUWFJFHSA-N 484.302 4.525 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)C[C@@H]1C(F)(F)F 1168527725 JFGZDFYLEQFLPZ-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1O 1653217065 PVOOVNCPKURUEC-SNVBAGLBSA-N 450.720 4.912 10 10 JJCE CCc1ccc(-c2csc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860743348 JHNAMLNVEPYRLA-UHFFFAOYSA-N 481.533 4.725 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)c(C)c1 1860748852 PCMFJGQOMICSPW-UHFFFAOYSA-N 497.529 4.621 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)sc2c1CC[C@@H](C)C2 1865928283 ZRHMHROGHYHISW-JFIYKMOQSA-N 454.592 4.598 10 10 JJCE C[C@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCN2C 1927484870 NTMQBRDEXWOCNF-QLXKLKPCSA-N 456.542 4.979 10 10 JJCE C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837551 UGORLVKSXIRELN-SNVBAGLBSA-N 453.372 4.927 10 10 JJCE Cc1ccc(CNC(=O)c2cc(Br)sc2Br)c(O)c1Br 2380745432 PNCWWELEAZPUQW-UHFFFAOYSA-N 484.007 4.980 10 10 JJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15048116 LDZCRMALHKLLLA-RRMQHPPMSA-N 482.627 4.705 10 10 JJCE COc1cc2sc(/C=C/c3ccccc3[N+](=O)[O-])[n+](CCCS(=O)(=O)O)c2c2sccc12 16404908 NSGBGYKAXUDFJD-BQYQJAHWSA-O 491.592 4.769 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 33332205 ULBIAZRIJIKMHB-RQZCQDPDSA-N 457.910 4.551 10 10 JJCE CC(C)CN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33490837 MQXWIRYDYOUWPW-PDGQHHTCSA-N 456.637 4.542 10 10 JJCE CCCCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598206 DMJUUQUBVSGOMQ-AREMUKBSSA-N 477.605 4.760 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)ccc2C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 54311041 FRJJQSWSEBJAEW-XMMPIXPASA-N 486.678 4.559 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2 250150686 BQQGDZHWSLUCAG-IPVFLDMMSA-N 462.571 4.745 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C(C)=O)cc2)[C@H]1c1ccc(O)c(O)c1 526267450 ZGZVZNYZIQRLSY-DEOSSOPVSA-N 475.497 4.765 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526515153 IGEIDUWMEPHNIM-VWLOTQADSA-N 489.524 4.976 10 10 JJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(Cl)cc(CO)c1O 687737856 ICAKTHIALBHBIJ-JOCHJYFZSA-N 467.905 4.592 10 10 JJCE CSc1nnc(CCCNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1C1CCCC1 728127222 MOYIVDMPSAQBLZ-UHFFFAOYSA-N 480.682 4.997 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1083864711 XRVBIDAYAIWDCW-JWGURIENSA-N 490.604 4.911 10 10 JJCE CCOC(=O)c1c(NC(=O)c2cn3cc([N+](=O)[O-])ccc3n2)sc(C)c1-c1ccc(F)cc1 1860404016 VYRBIYQHORHMLQ-UHFFFAOYSA-N 468.466 4.848 10 10 JJCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 1860826566 HVSHJLZLQRYHFC-ZCXUNETKSA-N 493.393 4.586 10 10 JJCE CC[C@](C)(NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840770 IQLLVWSXGSSQFN-JWRCQZCYSA-N 486.543 4.703 10 10 JJCE CC(C)(C)OC(=O)N(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccccn1 1868175044 BPIFFFGBZHHUHR-UHFFFAOYSA-N 485.540 4.623 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3CC(C)C)CC2)cc1 1870685880 FIEDVQSHDBRFMT-UHFFFAOYSA-N 489.660 4.847 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425840 NMUOWJOKFUMDOR-UHFFFAOYSA-N 474.580 4.767 10 10 JJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079013743 PUDPZNQGRZZANA-INIZCTEOSA-N 468.335 4.887 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCc3ccccc3)C2=O)c(Br)cc1O 2293763556 IGOKCIDDYCJLHC-UHFFFAOYSA-N 464.406 4.997 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 2294280020 RIQXPDWTEPZJDC-UHFFFAOYSA-N 473.504 4.799 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1 2296733044 QSFTYEOKTSWASR-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)c(C)c1 2313548282 QYODDCKKWGSVAS-UHFFFAOYSA-N 457.324 4.520 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1 2313553090 FJFSRAKTYKRDSS-UHFFFAOYSA-N 475.526 4.865 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1SC(=S)N(CCCC(=O)OC)C1=O 2314760391 IUFMNSRGBXDDPT-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 20236703 KNZNDBQMMVDCAD-QKVDKRGOSA-N 469.856 4.547 10 10 JJCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)cc1 20356417 CZSZZMKUXNCHQK-GGOACEJESA-N 489.601 4.515 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33723723 IYSCAPSKLVKXQJ-OGCYSBMNSA-N 470.664 4.993 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 34990804 ZLCJIJFPJJRJRK-ATVHPVEESA-N 477.589 4.762 10 10 JJCE C[C@H](Oc1cccc2ccccc12)C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 39920762 RCUZJJLAMHOVIM-PPHZAIPVSA-N 480.568 4.971 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Oc4ccc5ccccc5c4)c3[N+](=O)[O-])CC2)cc1 40586548 NQVAVKBMOBJOCV-UHFFFAOYSA-N 457.490 4.666 10 10 JJCE O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccc(Br)cc1 40940393 NPCVRBPDKJULMP-ZROIWOOFSA-N 498.221 4.758 10 10 JJCE COc1ccc(N2CCCN(C(=O)NCc3ccc(COCc4ccccc4)cc3)CC2)cc1 918007479 BKVUWVWPSMZVSW-UHFFFAOYSA-N 459.590 4.834 10 10 JJCE CC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 1627468165 WVIZCTNQRKZFFJ-UHFFFAOYSA-N 459.384 4.583 10 10 JJCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1858074050 BAMQNRSORKAMFG-NRFANRHFSA-N 456.439 4.565 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858591369 HUDUSHWOPWVFPT-UJMHRVFCSA-N 452.326 4.615 10 10 JJCE COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(Cc2cccc(Cl)c2)N=C1C(F)(F)F 1865678391 KCPOOCGRYCJCOD-NVNXTCNLSA-N 454.832 4.710 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 1871279464 XQUSSBNOUMHXOB-UHFFFAOYSA-N 491.908 4.794 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527168 ZIIDPWWILIDUHV-UHFFFAOYSA-N 495.631 4.601 10 10 JJCE CC(=O)c1ccc(-c2ccc(C=C3SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 2040582402 PJMQOOGXJFMWJI-UHFFFAOYSA-N 471.582 4.937 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080008019 RHVBXMHAQIFCFK-SFHVURJKSA-N 498.361 4.892 10 10 JJCE COc1ccc(CNC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1C 2130838386 DTSCDGCABKTOAL-UHFFFAOYSA-N 453.627 4.653 10 10 JJCE CC(C)(C)OC(=O)N[C@]1([C@@H](N)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163152405 SRIDYSXXYYDHLZ-LBNVMWSVSA-N 464.654 4.846 10 10 JJCE CC1(C)CC(NC=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC(C)(C)N1 2293638364 GTXGSZGEUVXCAA-UHFFFAOYSA-N 459.619 4.830 10 10 JJCE N=C1C(=Cc2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12 2297357789 MZZNLOSFPZKUOK-UHFFFAOYSA-N 496.508 4.858 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCc1ccccc1 2314831938 WAFMOTYKBLJNEN-UHFFFAOYSA-N 475.433 4.747 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(Br)c1OC 9561763 UPZQYNCSLDAIOW-NVNXTCNLSA-N 480.361 4.570 10 10 JJCE COc1cccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1O 34683961 ZTZJTOULKWOZSN-UHFFFAOYSA-N 484.593 4.708 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 58822149 JXLJOMYDMHLOIR-RCCKNPSSSA-N 483.592 4.869 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 59536587 ZYQLJDTXDMYMOE-BKUYFWCQSA-N 480.879 4.733 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 1858594204 PODNFNJCBVPWGM-PYJSORCASA-N 477.995 4.761 10 10 JJCE Cc1ccc(CCC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1C 1860874531 PDUMNLXGDHDWAF-UHFFFAOYSA-N 484.644 4.903 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871570280 IALKQAAYRGDNMC-UHFFFAOYSA-N 496.059 4.792 10 10 JJCE COCCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162048 DGNQVNRIBNJXBU-UHFFFAOYSA-N 496.611 4.524 10 10 JJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC)C2=O)cc1 1873165597 QMOXWKIBBZBEIL-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873166543 RQPCTINVHWMNNI-UHFFFAOYSA-N 481.552 4.766 10 10 JJCE COc1ccc2c(C)c(CCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)oc2c1C 1874017910 YENFHOHIYVPMSX-UHFFFAOYSA-N 481.504 4.765 10 10 JJCE CC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)OC(C)(C)C 2163168350 YDOCXQNPWYOMLE-UTKZUKDTSA-N 474.646 4.692 10 10 JJCE Cc1cccc(CNC(=O)c2cc(I)cc(NC(=O)OC(C)(C)C)c2)c1O 2204612043 TXMORCFSZXSFNM-UHFFFAOYSA-N 482.318 4.582 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296706734 MFDKMMPDBCXAKC-HOTGVXAUSA-N 482.675 4.629 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2296846630 IAVYFGHHOOGHPY-UHFFFAOYSA-N 456.637 4.605 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 2297347627 OMYBSPQLXBRKCA-UHFFFAOYSA-N 455.873 4.907 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2314413620 CJKWZVNRPLQZEA-INIZCTEOSA-N 464.616 4.787 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2314650458 IDMPUSMYGBVPNC-ZDUSSCGKSA-N 476.626 4.964 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2ccc(O)cc2)C1=O 2314831922 VTAKMOJSCDZLGO-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O 2314929484 NFRXQDLSVZNVCB-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3cccc(OC(C)C)c3)SC2=S)N(C)C)cc1 2323880180 ZVTMQHQJHPRBEC-OAQYLSRUSA-N 456.633 4.987 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 15044309 HEIGJNJDCWGHMQ-ZHZULCJRSA-N 472.588 4.507 10 10 JJCE O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 23390286 SXCLPLLLAAGVTE-LICLKQGHSA-N 451.928 4.734 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 33524122 BWUGSGADDSXTPC-BEBMFCDBSA-N 498.358 4.762 10 10 JJCE CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(OC)c3O)CC2)nc1)c1ccccc1 34681897 GQTMZOAWFWDPBO-DEOSSOPVSA-N 474.605 4.640 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)/C=C/c3ccc(C(C)C)cc3)C2=O)c1 62060274 WOYUSUBWAJUGLO-YXNARQPMSA-N 466.628 4.849 10 10 JJCE COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 101118209 ZJFVUZCWBNITCN-JWGURIENSA-N 476.558 4.523 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4Br)n4ccccc34)CC2)cc1 1858331732 DONCIWVSRMBZLS-UHFFFAOYSA-N 491.389 4.735 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(O)cc2O)sc(C)c1-c1ccc(Br)cc1 1865870617 AWWOCGJBYBJZMO-UHFFFAOYSA-N 462.321 4.936 10 10 JJCE Cc1cccc(-c2ccc3[nH]cc(C(=O)N[C@H](c4ccc(N(C)C)cc4)c4nccn4C)c(=O)c3c2)c1 1866475322 WHQREHMCFKWLAE-HHHXNRCGSA-N 491.595 4.822 10 10 JJCE Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867332106 JTHFJJDZBQOHQY-URLMMPGGSA-N 498.671 4.876 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873162172 IZCXADAYUFIQIH-UHFFFAOYSA-N 459.565 4.801 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(CCN(C)C)C2=O)cc1 1873421065 FDRJTCVEJAIPEA-UHFFFAOYSA-N 480.971 4.640 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4cc(C)ccc4C)c3)CC2)cc1 1874719965 BLBXOVDMFJJRCI-UHFFFAOYSA-N 485.628 4.888 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc(N)c2C1 2168786982 XVIKHXHLRYSGHO-FGZHOGPDSA-N 462.638 4.520 10 10 JJCE CCn1c(C=Cc2c(C)[nH]c3ccccc23)nc2ccc(I)cc2c1=O 2295914212 QDLYQNLNHGACQR-UHFFFAOYSA-N 455.299 4.981 10 10 JJCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314741222 WKXTXQKULIOGDZ-UHFFFAOYSA-N 471.600 4.819 10 10 JJCE CCN(CC)c1ccc(C=c2sc3nc([C@H](C)Oc4ccc(Cl)cc4Cl)nn3c2=O)cc1 2326224880 QYNWWZLRLLBGSC-AWEZNQCLSA-N 489.428 4.992 10 10 JJCE COc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c(OC)c1 2331592446 KQEZOKFCEFIZBW-UHFFFAOYSA-N 486.615 4.579 10 10 JJCE COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 2098544 BMMKMPWNYNLITI-ZONZVBGPSA-N 479.532 4.726 10 10 JJCE biogenic COc1ccc(N2CCN(CCNc3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 21643031 UWZLZKOIOYDCSI-UHFFFAOYSA-N 463.582 4.740 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc2ccccc12 33326923 INIYQZHPILLDFF-FYJGNVAPSA-N 462.552 4.799 10 10 JJCE CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 35123593 OPTTYIAPNZWUPA-HEHNFIMWSA-N 492.670 4.683 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2\SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 35154350 GASQCJYLHMBTPN-HNENSFHCSA-N 458.008 4.762 10 10 JJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990037 VJBKOFSOYPWZGQ-BKUYFWCQSA-N 496.658 4.669 10 10 JJCE CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(N2CCOCC2)cc1 59462549 BPXYHOWHOXYVQN-MUUNZHRXSA-N 469.589 4.517 10 10 JJCE CC1=CN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(Br)c3)C(=O)N=C2S1 102464510 LCYUYAUOFRTCRD-YZDZUVNUSA-N 474.361 4.897 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526344138 OIBVSWRJOJISJJ-RUZDIDTESA-N 477.513 4.959 10 10 JJCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(Cl)ccc1OC 586257116 DEISTTMJSZFZOI-UHFFFAOYSA-N 469.946 4.729 10 10 JJCE COc1ccc(CN2CCCCCCCN(C(C)=O)c3ccc(N4CCOCC4)cc3C2)cc1 643563330 QOLMRQJMLYDJBA-UHFFFAOYSA-N 465.638 4.851 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c4ccccc34)[C@H]21 1860347208 BTXFXPXWZNFCFP-ONUAKPMSSA-N 494.639 4.873 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCCC2)cc1 1860714986 HHFMAZGBUZTEQT-UHFFFAOYSA-N 452.780 4.527 10 10 JJCE CCOC(=O)C1(C(=O)Nc2sc(CC)c(-c3ccc(Br)cc3)c2C(=O)OC)CC1 1866169061 QWJSABOGKPSIPW-UHFFFAOYSA-N 480.380 4.808 10 10 JJCE C[C@@H]1COC[C@@H](C)N1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868563889 ITQKRRPMSWXTHV-QZTJIDSGSA-N 491.551 4.671 10 10 JJCE Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(Cl)cc12 1874017540 RICQAXNHGGLZFL-CQSZACIVSA-N 487.895 4.936 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2106858122 SKOODJIVBLCYSQ-OWAUWMPXSA-N 453.627 4.828 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl 2293535063 YLBAZGOJWGWPCD-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE O=C(O)c1cccc(N2C(=O)C(=C3C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)c1 2297465482 MPCCPOXXPVCGFT-UHFFFAOYSA-N 472.547 4.708 10 10 JJCE COc1cc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 2313682392 BOBNSRPFWAQPKV-UHFFFAOYSA-N 461.493 4.989 10 10 JJCE Cc1ccccc1NC(=O)CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314831796 SDORMFBGJJFWKP-UHFFFAOYSA-N 456.589 4.807 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3c(F)cccc3F)CC2)cc1 20289488 XTLHIQHAMKKVGF-MZNJEOGPSA-N 471.573 4.717 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccc(F)cc4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39844639 BPNCAUQHQHOMDA-UHFFFAOYSA-N 493.560 4.649 10 10 JJCE Cc1cccc(C)c1NC(=O)CN(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 96774048 DFDVFBRUNZEWDA-UHFFFAOYSA-N 495.579 4.511 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858593970 FYGLWAMLSTWXJC-GFKDLEGOSA-N 498.807 4.705 10 10 JJCE Cc1cc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)ccc1Br 1860715531 ZXHXUJOLROGVPP-UHFFFAOYSA-N 476.596 4.997 10 10 JJCE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866721557 UNWZEHZHSVTGRQ-BJKOFHAPSA-N 480.564 4.879 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425914 PMKKSRGTZHMAIS-UHFFFAOYSA-N 499.659 4.694 10 10 JJCE CC[C@@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 1881515909 ZTNLFUMPUBVRDU-YIXXDRMTSA-N 452.643 4.530 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080026913 ZTEWQZARVBZSKA-GOSISDBHSA-N 468.335 4.917 10 10 JJCE CCN(CC)c1ccc([C@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106834105 QWNFADLFFJKPGP-RPLLCQBOSA-N 453.627 4.736 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2294279878 AUIRKMMNKNKXFZ-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(c2ccc(Br)cc2)C1=O 2297259300 LJRAXLJORVRKBQ-UHFFFAOYSA-N 496.205 4.940 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2313558295 XGUAFOFENWCKLG-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 2314765248 YRYANUHKXLUPIJ-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314828400 SYFLFENUSJPRIW-UHFFFAOYSA-N 492.376 4.587 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469332 CYLGDZYOSVDCTC-VHSZZVNMSA-N 477.605 4.519 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479303 WANPMVLYQNMZSE-DFIYOIEZSA-N 454.592 4.705 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 33723882 UPEOEIHKYGZVFM-WCSRMQSCSA-N 489.789 4.664 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2c1 38732315 CZCILIDVFYYCTC-JCMHNJIXSA-N 461.612 4.781 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Br 59198135 ZQNHMAMVCJOMMM-JYRVWZFOSA-N 480.112 4.727 10 10 JJCE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N=C(O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 59862071 XNCHFRZDMWKZIZ-HMMYKYKNSA-N 492.915 4.686 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526395065 CIWPBGAPXNYZBW-AREMUKBSSA-N 487.556 4.785 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)c1 526480911 ZYTAVEURDFJKEN-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE Cc1csc(-c2ccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2)n1 726283629 HSNLIJPJULVWTM-UHFFFAOYSA-N 458.587 4.823 10 10 JJCE C[C@H](O)CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858587243 YUGYZIVAWDHTDP-NGZBARDMSA-N 473.019 4.956 10 10 JJCE CC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347559 XGWLPABSNGFSSW-MUUNZHRXSA-N 478.552 4.630 10 10 JJCE CCCC1=NN(Cc2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665611 CSWGUDKZMUONSF-HAVVHWLPSA-N 498.023 4.642 10 10 JJCE CC[C@@](C)(NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811294 HIBPIYUVPNJRAS-CPRQQSDPSA-N 466.537 4.789 10 10 JJCE CC[C@@H](C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866948355 FLGUZQSSIWWROK-CRAIPNDOSA-N 474.944 4.752 10 10 JJCE CCOc1cn(CCCCc2ccccc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870363630 YDLFKBQGOVAQDH-UHFFFAOYSA-N 475.633 4.601 10 10 JJCE CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870936505 LDGNQPIPAUIUTA-UHFFFAOYSA-N 475.574 4.698 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873169619 RVQCOAHGWVETAV-UHFFFAOYSA-N 496.655 4.675 10 10 JJCE Cc1nc2ccccc2nc1SCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179026 IPDABPXXVLOMJB-UHFFFAOYSA-N 453.523 4.835 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)CC2)cc1 1874723239 IGUPRMFLOFCWLY-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1C 2293152781 QMHBZYXAVWRTBH-UHFFFAOYSA-N 478.932 4.576 10 10 JJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C[C@@H]1CCCO1 2296710640 IIMIBDHAXBJHIW-KRWDZBQOSA-N 453.614 4.981 10 10 JJCE CCn1c(C=Cc2cn(C)c3ccccc23)nc2ccc(I)cc2c1=O 2296753970 JITFNOKJAZZKQR-UHFFFAOYSA-N 455.299 4.683 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2313610133 SCEGFEBTUKRJII-UHFFFAOYSA-N 451.323 4.777 10 10 JJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](CC)C(=O)O)c(OC)c3)SC2=S)cc1 2314932351 MNZBYNFCHAQWSO-KRWDZBQOSA-N 457.573 4.905 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469338 CYLGDZYOSVDCTC-XXAUWVGASA-N 477.605 4.519 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 16919619 YSTOTKSSTBADBQ-DEDYPNTBSA-N 471.556 4.547 10 10 JJCE Cc1ccc(O)c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)c1 16922700 NWWCRHDGELXUHP-BOPFTXTBSA-N 464.515 4.532 10 10 JJCE COc1ccc(N2CCN(c3c(C(=O)c4ccccc4)cnc4cc(OC)c(OC)cc34)CC2)cc1 21522528 BULBUJILKJIFAC-UHFFFAOYSA-N 483.568 4.818 10 10 JJCE Cc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(C)cc5)S4)CC3)=NC2=O)cc1 33926604 RCSJTQZHWYWCTG-BMJUYKDLSA-N 488.638 4.562 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 34829292 KNJGIJBMFHFMMJ-NISQSXRWSA-N 464.616 4.787 10 10 JJCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 59858623 NCMNWAVNLDRHNH-NDENLUEZSA-N 450.886 4.769 10 10 JJCE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 205954183 OJLQDQXFBDNMEQ-JJIBRWJFSA-N 473.529 4.858 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526367482 PWUGESYNNTYCBV-SANMLTNESA-N 473.573 4.893 10 10 JJCE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705887410 FPZOURGVUGWQAA-UHFFFAOYSA-N 474.428 4.680 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1858515051 TZDYANIDVUHRHL-UHFFFAOYSA-N 492.645 4.596 10 10 JJCE CCCC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868750099 FHKBGFCACRVDTG-MHOQICJOSA-N 484.040 4.776 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Br)cc1 1873966580 HOBBCQKMWYEMFO-UHFFFAOYSA-N 499.368 4.976 10 10 JJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC(C)C)ncnc21 1875213063 HRPIUGHXQVTTHT-UHFFFAOYSA-N 478.641 4.660 10 10 JJCE Oc1ccc(Br)cc1Cn1nc(C2CC2)c(C(F)F)c1I 2079736943 IJFSLKPAMSLUAN-UHFFFAOYSA-N 469.067 4.819 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)CN(Cc2ccccc2)C2(CCC2)C1 2194937066 HGTPSNFWUOADMW-MUUNZHRXSA-N 464.654 4.674 10 10 JJCE COc1ccc(Br)cc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 2294244403 DZUDECRVBRMEMS-UHFFFAOYSA-N 486.174 4.596 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OS(C)(=O)=O 2297357273 IAWPBYROGPXQSK-UHFFFAOYSA-N 484.020 4.791 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1cccs1 2297364081 NRDIBYSYRLOTHD-UHFFFAOYSA-N 484.418 4.960 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl 2297578179 YSKDISQJNFZHST-UHFFFAOYSA-N 471.296 4.810 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3ccccc3Cl)N=C2c2ccc(OC)cc2)cc1 2332139162 BEHQPMUNIDLXMQ-UHFFFAOYSA-N 460.917 4.965 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461042 LJRSBYDULWTWGI-FIEAQMJYSA-N 469.379 4.890 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3c(F)cccc3F)CC2)cc1 20289491 XTLHIQHAMKKVGF-XDHUDOTRSA-N 471.573 4.717 10 10 JJCE C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781662 XVXYTXDNDIESNX-IEOAWGNMSA-N 494.617 4.614 10 10 JJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990121 NCZKXPJCKYDELE-NIIQRYEDSA-N 486.707 4.778 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(O)cc1 214757660 GMOFPHMOBBHRKD-XMHGGMMESA-N 471.560 4.701 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2)N1CCCC1 226708866 YTOLTDATOCRUSN-JLHGSKIFSA-N 475.408 4.766 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526506276 KMFQSRNVEKXJPV-SANMLTNESA-N 473.573 4.893 10 10 JJCE CCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 1084378492 PIYHJZIRPQGRJM-QGOAFFKASA-N 471.351 4.911 10 10 JJCE Brc1ccccc1-c1nnc(N2CCCOCC2)n1CCCSc1nccs1 1705473778 OETGBUIPFJRREI-UHFFFAOYSA-N 480.457 4.573 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1cccc(F)c1 1860550800 UCECMYXTQBEBBT-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1869119042 YDOUIMYMKACPII-UHFFFAOYSA-N 480.616 4.925 10 10 JJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N([C@@H](C)CC)C2=O)cc1 1873164990 BZEDPJAQDWFEJH-IBGZPJMESA-N 499.611 4.939 10 10 JJCE CCOCCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168445 VYPIUNLYCABLLU-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(Cl)c3C)n4C)CC2)cc1 1873650780 VSEKFTRMMBBWLP-UHFFFAOYSA-N 490.995 4.518 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccc(C)c4)c3)CC2)cc1 1874735206 ZUVSNSRXTKTBMH-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 1963190710 NEGVFLFHUICALK-MYUZEXMDSA-N 488.584 4.710 10 10 JJCE CC(C)[C@@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 2194920320 AEFANAFVMXMPBB-LSYYVWMOSA-N 466.670 4.776 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 2293344011 JINZIJUNQMGUIU-UHFFFAOYSA-N 478.932 4.658 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2297358668 HIJZPSZIQHTSLK-UHFFFAOYSA-N 476.489 4.674 10 10 JJCE COc1ccc(Br)cc1/C=C1\SC(=S)N(C(=O)c2ccc(F)cc2)C1=O 33532396 HRXVMWUWCYYKME-DHDCSXOGSA-N 452.326 4.638 10 10 JJCE CCCCc1ccc(Nc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40581071 FYAATEKONSNHMA-UHFFFAOYSA-N 462.554 4.806 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)cc4)N=C3C)cc2)cc1 105544605 WPIDOOFPPOSFJL-LFVJCYFKSA-N 476.558 4.523 10 10 JJCE O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 111441887 CAUHZNDABWGTCE-PQNGQFLHSA-N 491.525 4.920 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 210733984 MLECYSMOQBPUKY-HMMYKYKNSA-N 486.615 4.810 10 10 JJCE C[C@@H](Nc1cc(I)cc(I)c1)c1cc(F)ccc1O 690415950 GXSXACOUHFFRFV-MRVPVSSYSA-N 483.062 4.914 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)c(C)s1 1859573554 LTPRPTZNLNWKDA-JTQLQIEISA-N 463.968 4.637 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccnc2Cl)sc(C)c1-c1ccc(F)cc1 1860746902 JKXDJDUMPNCOSP-UHFFFAOYSA-N 461.902 4.665 10 10 JJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1868275317 OOQJPYWQYKVTCV-HSZRJFAPSA-N 491.551 4.531 10 10 JJCE CCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659672 ADAORCCRJGYBOX-UHFFFAOYSA-N 489.660 4.909 10 10 JJCE CN1CCc2cc([C@](C)(CC(=O)O)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 1951809254 MRVILEFATXKMKQ-NDEPHWFRSA-N 456.542 4.908 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297352637 INJUMANABDSMDV-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314836656 HZUWUAROJDHAGI-ZDUSSCGKSA-N 474.991 4.745 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3cc(OC)ccc3OC)SC2=S)cc1OCC 2323775028 PVGQOTRCVZCMLS-UHFFFAOYSA-N 473.616 4.945 10 10 JJCE CC1=C(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)C(=O)N(c2ccccc2)[C@H]1C 3186186 VOPODFGYHLCNAT-HIXWQLQUSA-N 451.529 4.505 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@H]32)ccc1O 14459032 UAQOSJDXLCJSGI-FYQCMVGJSA-N 474.582 4.979 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475847 MNDYFNIZAISWRY-XLNZFTOWSA-N 469.563 4.548 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc(F)cc3)CC2)cc1 20289484 BZGRHFXSOQDNBA-MHECFPHRSA-N 453.583 4.578 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33781126 QKODEVYBPDUHAX-NBVRZTHBSA-N 456.637 4.749 10 10 JJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCc5ccccc5)cc34)CC2)cc1 35512236 KELCYPFQHDBLKI-UHFFFAOYSA-N 452.558 4.500 10 10 JJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 40940280 GWMRYJRNWMZDHG-HNENSFHCSA-N 486.018 4.793 10 10 JJCE CCOc1ccc(-c2ccnc3c(C(=O)NCc4ccc(N5CCCCC5)cc4)cnn23)cc1 65026706 IWGRWYBBTPPDGM-UHFFFAOYSA-N 455.562 4.715 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103619296 KZSHTDKUWNVDPN-BIWYMFDESA-N 481.965 4.622 10 10 JJCE COc1cc(Br)c(O)c([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 642884452 IOHXXQMIWQWNPP-OAQYLSRUSA-N 498.329 4.828 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1-c1ccc(F)cc1 1860746802 FNMKPQXNPAKQBR-UHFFFAOYSA-N 485.493 4.833 10 10 JJCE CCOC(=O)c1c(C)nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c1I 2079107201 UOBXJNVFSLSOJF-MRXNPFEDSA-N 456.324 4.622 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080025821 SIHOFOZHTHZBHJ-SFHVURJKSA-N 466.319 4.671 10 10 JJCE CCN1CCc2cc([C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2106851381 SPONLTSGYUWRAC-QTLGCAHFSA-N 453.627 4.828 10 10 JJCE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 2293403501 DHRVRCUAVJXZBR-UHFFFAOYSA-N 487.556 4.523 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2296754811 BXKJBJYOBOLLPK-UHFFFAOYSA-N 455.561 4.777 10 10 JJCE CCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2cccc(C(=O)O)c2)N=C1c1ccccc1 2297104298 HIPGIPYEGYMBDN-UHFFFAOYSA-N 457.442 4.526 10 10 JJCE Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)nn(-c4ccccc4)c3O)C2=O)cc1 2297602833 ZFNVZUMMXYHHDB-UHFFFAOYSA-N 464.525 4.570 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 2313559037 PMGKABVOVPHWSW-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE COc1ccccc1OCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682601 GZRFYJUROCABQX-UHFFFAOYSA-N 484.581 4.998 10 10 JJCE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314831661 PMAWPSWLZKPHJG-HNNXBMFYSA-N 478.595 4.564 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=S 2314926963 WJBIIIXZRYKFTI-UHFFFAOYSA-N 465.593 4.557 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141315 SIAAMSBMEHLUOG-UHFFFAOYSA-N 458.514 4.551 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCC3CCCCC3)C2=O)ccc1OCC(=O)OC 33448110 RCXJFPXBFVQWJX-XSFVSMFZSA-N 463.621 4.809 10 10 JJCE O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nccs1 39793758 XVIMXPQBHJFUIA-ATVHPVEESA-N 453.570 4.566 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066579 JTRKRQKSHFMKDI-MOSHPQCFSA-N 466.632 4.569 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1 103493900 LNBROZFKIXKJAN-PSQPYKGGSA-N 492.601 4.889 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c1OC 526509656 LCWRWXXQQUIPLE-QHCPKHFHSA-N 496.947 4.892 10 10 JJCE CN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N(c2ccccc2)C1=O 1084563256 OWNOTIZORCDYHF-AQTBWJFISA-N 451.276 4.718 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1O 1460795224 KVRAHCNOJGRYDD-HZPDHXFCSA-N 450.885 4.526 10 10 JJCE CC(=O)c1cc(F)cc(CN(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1O 1653311476 IKQPQJNZQQRIET-UHFFFAOYSA-N 457.929 4.961 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)cn1 1860344773 FMRJAUVATYQWNH-UHFFFAOYSA-N 469.932 4.652 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2OC)sc(C)c1-c1ccc(C)c(C)c1 1860748417 DISPPOUQYAHRGP-UHFFFAOYSA-N 482.558 4.721 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865029223 IUBPNBPBOJFBCA-QHCPKHFHSA-N 490.604 4.579 10 10 JJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679213 BAHSKDNWMKOLBL-MHWRWJLKSA-N 472.295 4.715 10 10 JJCE CCc1sc(NC(=O)CC[C@H]2CCCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866258125 NNYNWYNGWZEHAE-OAHLLOKOSA-N 465.413 4.997 10 10 JJCE CCCCCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870680258 ZKKNRSRBBAADQB-UHFFFAOYSA-N 493.623 4.936 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)cc1C 2080003735 QNARYEUYVBSYJU-GOSISDBHSA-N 467.395 4.956 10 10 JJCE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163081640 VHWXSOQLLIJUBQ-UHFFFAOYSA-N 474.646 4.645 10 10 JJCE Cc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2296634287 DUDSRFDZDBEZPK-UHFFFAOYSA-N 497.580 4.905 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 2297342121 UIRRHUSOXRLPBF-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1c(F)cccc1Cl 2314767500 HFHZOHGSTWGYAQ-UHFFFAOYSA-N 481.954 4.743 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CCCCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 2314831916 VPRMOROPWZNZFV-UHFFFAOYSA-N 484.599 4.794 10 10 JJCE O=C(C=Cc1ccco1)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329398240 JORMQSSJOOQZPN-UHFFFAOYSA-N 492.487 4.996 10 10 JJCE CCC[C@@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330469739 HUHJAFXDCXMVQD-AREMUKBSSA-N 477.649 4.640 10 10 JJCE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2361407788 CMJSIBDPPUTBLN-OAQYLSRUSA-N 474.646 4.644 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C2=O)cc1 2899923 GTRYYHPGDJFYLJ-HAVVHWLPSA-N 458.470 4.660 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2 14548258 BOOGIWHRPRVMLW-PLJDGTNTSA-N 476.598 4.829 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15044831 YAGSDJGIWVKNID-JXAWBTAJSA-N 499.054 4.568 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 20407209 WSWBCYLQIQAMTO-UNOMPAQXSA-N 465.512 4.709 10 10 JJCE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990417 SXFZNJCRMKVVAO-SDLDRHLBSA-N 472.680 4.674 10 10 JJCE COc1ccc(N2CCN(c3c4c(nc5nc(Cc6ccc(Cl)cc6)nn35)CCCC4)CC2)cc1 45961029 HIFJTFMXLLMYIB-UHFFFAOYSA-N 489.023 4.583 10 10 JJCE CCCCc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)CC2=O)cc1 1352682522 FPIXAIHGWYMBKQ-KRWDZBQOSA-N 454.592 4.748 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)c3)cc2)CC1 1466882344 KCEVQZWDVJEDOS-UHFFFAOYSA-N 453.995 4.667 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c1O 1652497814 CEQXZODCPKFPCO-AWEZNQCLSA-N 451.792 4.890 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(=O)OC)sc(C)c1-c1ccccc1 1860767275 LHXGIHUHEKGOFI-UHFFFAOYSA-N 486.571 4.634 10 10 JJCE COC(=O)c1c(NC(=O)/C=C/c2cncnc2)sc(C)c1-c1ccc(Br)cc1 1866149911 RIADUVZLUMRNBR-FPYGCLRLSA-N 458.337 4.715 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3N=C(C(C)(C)C)CC3=O)cc2)N2CCCCC2)cc1 1866183732 NLRUZJYCTRDHJY-RUZDIDTESA-N 489.664 4.848 10 10 JJCE CCC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866822551 AIUKPCQJFUHYRA-QFIPXVFZSA-N 493.519 4.654 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867985853 YVFBQCLVDPKZAD-HXUWFJFHSA-N 461.585 4.997 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696323 JACCUNUJXVUOOW-LITSAYRRSA-N 479.665 4.767 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cn(-c4cc(C(C)C)cc(C(C)C)c4)c(=O)cc3O)CC2)cc1 1870130145 HUTRBSCNOAGVEL-UHFFFAOYSA-N 489.616 4.761 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C3CCCC3)C2=O)cc1 1873167900 CDUDUNXPGBXUML-UHFFFAOYSA-N 483.568 4.635 10 10 JJCE COCCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420208 JWAZKJGHMDCDPO-UHFFFAOYSA-N 487.600 4.967 10 10 JJCE CCCCCCC(=O)Oc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874747411 HURKUWHYZCTPML-UHFFFAOYSA-N 452.595 4.966 10 10 JJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cc(Br)c(F)cc3F)n2)c1 1892137100 SGOBFWAJQWKBMK-UHFFFAOYSA-N 476.280 4.560 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C=O)c2I)cc1C 2080001489 JLJXSOVZMXOLJR-KRWDZBQOSA-N 452.336 4.920 10 10 JJCE CCN(CC)c1ccc([C@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106834104 QWNFADLFFJKPGP-IGKIAQTJSA-N 453.627 4.736 10 10 JJCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 2294216448 CHONILMKDCDFRI-UHFFFAOYSA-N 480.929 4.746 10 10 JJCE COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c(OC)cc1Cl 2297334794 WTWGAGLRYALEFV-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297465540 XYDIUXTUKYWLLC-CYBMUJFWSA-N 477.991 4.690 10 10 JJCE CCN1C(=CC2=CC(c3ccccc3)=NC3=S=C(C(=O)C(F)(F)F)C(=O)N23)Sc2ccccc21 2297532758 BNVKLULYADDIAJ-UHFFFAOYSA-N 499.539 4.813 10 10 JJCE CCCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650706 XHVOKQIDSULFRM-UHFFFAOYSA-N 482.675 4.636 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(Cc3cccc(C(=O)O)c3)C2=O)cc1OCC 2326973164 QVWOBDGTELLTSV-UHFFFAOYSA-N 457.573 4.974 10 10 JJCE O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(C(F)(F)F)=NN1Cc1ccc(Cl)c(Cl)c1 2332144919 ZBTMIIPBHJUEBB-UHFFFAOYSA-N 460.195 4.951 10 10 JJCE CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)sc2c1CCCC2 1864215 XWXVXDKQVXGPIY-VBKFSLOCSA-N 490.628 4.627 10 10 JJCE O=C(O)c1ccc(Nc2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2494290 RAOKXVFPDLSDQN-UHFFFAOYSA-N 497.507 4.824 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S 3000251 AIZIUORFVVXUMS-PXNMLYILSA-N 498.807 4.967 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479321 KGINYTSOXMATQC-UZINWLIJSA-N 468.619 4.951 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(Br)c1OC 33448445 DMDCTZRSWMSIGX-OQLLNIDSSA-N 454.367 4.851 10 10 JJCE Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)c12 65301620 AMQFDFOGOYVCOJ-UHFFFAOYSA-N 463.651 4.866 10 10 JJCE Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 208361418 VDEJPQBWKCFAPG-DEDYPNTBSA-N 460.584 4.680 10 10 JJCE COc1ccc2nc(NC(=O)CCCN3C(=O)/C(=C\c4ccccc4)SC3=S)sc2c1 208741762 NEVJSRHPEGHHPA-LDADJPATSA-N 469.613 4.925 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526218966 REUHQKPFCCRRCT-DEOSSOPVSA-N 460.530 4.836 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526254990 JMJCAZXNPVRWGA-XMMPIXPASA-N 475.497 4.730 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@H]1c1ccc(N(C)C)cc1 526527359 QLXXAFRBBBTGRE-RUZDIDTESA-N 472.541 4.995 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCc3ccc(F)cc3)CC2)cc1 1870436061 IMXIDHIGSVAKGM-UHFFFAOYSA-N 493.623 4.596 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1[N+](=O)[O-] 1873424842 XLGDYNBPIQGAIW-UHFFFAOYSA-N 474.517 4.611 10 10 JJCE CN(C)c1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1F 1952790419 YOXRDOXUPYKNAL-AMGIVPHBSA-N 460.505 4.730 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079039119 CXQTWYMYDACMTP-CQSZACIVSA-N 468.257 4.648 10 10 JJCE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 2296125620 KIEVOYMDVHGVDR-UHFFFAOYSA-N 483.524 4.592 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(C(=O)OC)cc4)N=C3C)o2)cc1 2296649699 ZHOZCFXLEDFKEB-UHFFFAOYSA-N 458.470 4.716 10 10 JJCE CCCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313548562 YKRPWROIJCQUQE-UHFFFAOYSA-N 457.324 4.521 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 20236232 VROYXDUMEAZGGX-VFWYHHDWSA-N 481.936 4.874 10 10 JJCE CCOC(=O)c1ccc(N=N[C@@H]2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1 252462060 PLOJXHXITAAQFP-FQEVSTJZSA-N 463.519 4.870 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526143230 VZLDFVMKMCTPNL-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1ccc(C(=O)OC[C@@H]2O[C@H](Sc3ccc(Cl)cc3)[C@@H](N=[N+]=[N-])[C@@H](OC)[C@@H]2OC)cc1 575449063 NFRJPKMYWLHCHI-UDGWLPKNSA-N 493.969 4.732 10 10 JJCE O=C1/C(=C\c2cccs2)SC(=S)N1CNc1ccc(I)cc1 1084242477 BULKXRKJCHOPHL-MDWZMJQESA-N 458.371 4.624 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C=C(C)C)CC2)sc(C)c1-c1ccc(C)cc1 1860632192 ZIHZJUUMAQUCCZ-UHFFFAOYSA-N 454.592 4.962 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1865766655 LPPOEWCPFDXVAM-UHFFFAOYSA-N 490.446 4.654 10 10 JJCE COc1ccc(N2CCN(c3cc(N(C)c4ccc(OC)c(OC)c4)nc(C(C)C)n3)CC2)cc1 1869096892 PUHWCHRGUOIABE-UHFFFAOYSA-N 477.609 4.720 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420799 WMUOHQLASGTJGR-UHFFFAOYSA-N 471.557 4.525 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(CCN(C)C)C2=O)cc1 1873421419 WPPHDDPTKXPOKL-UHFFFAOYSA-N 496.533 4.867 10 10 JJCE Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)CC2)c1C 1873506646 NNIQTGTYJDFBII-UHFFFAOYSA-N 453.590 4.875 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cc(O)c(O)c(O)c2)C1 1952453315 XSGRCVYUCLWTJD-OYHNWAKOSA-N 475.497 4.590 10 10 JJCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1c(N)cccc1Br 1994799242 ZWZHHJJCQSMVLF-UHFFFAOYSA-N 487.439 4.641 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2078999735 UTZAJPCMQHYRQJ-QGZVFWFLSA-N 467.351 4.504 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CN)c2I)C2(C)CC2)cc1C 2080003309 LICCLAVSYCSHNX-SFHVURJKSA-N 465.379 4.710 10 10 JJCE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(=O)O)c2I)c(O)c1 2080021850 BFQLMMGLNTXYJX-SFHVURJKSA-N 482.318 4.557 10 10 JJCE COc1cc2c3c(c1)-c1c(ssc1=S)C(C)(C)N3C(=O)C2=C1SC(=S)NC1=O 2296674109 QARDGBCMNCSMGF-UHFFFAOYSA-N 464.640 4.669 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 2297347519 DEPXXDNZXXNCCB-UHFFFAOYSA-N 482.880 4.676 10 10 JJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC)C(=O)O 2314932939 QHESZZUNBLCYPF-QGZVFWFLSA-N 471.556 4.546 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2323809319 YVEUUENWTRZZAV-CQSZACIVSA-N 454.356 4.596 10 10 JJCE CCC[C@@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330440015 FTVTUQUTILDYES-XMMPIXPASA-N 466.537 4.789 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548259 BOOGIWHRPRVMLW-REUCASDTSA-N 476.598 4.829 10 10 JJCE Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 59679164 OVGAEYVNFHNSLX-JAIQZWGSSA-N 493.972 4.585 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)c1 89269823 OLLWNKMXPBOKMV-IGSQJFRCSA-N 461.330 4.706 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 96850583 HXQWAWQUEMCRTO-OEEDQDNFSA-N 486.509 4.651 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526215512 WHAIQDYDAMYASY-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](N)CC(C)C)sc(C)c1-c1ccc(Br)cc1 1865917908 MDNPZIFDJABERY-HNNXBMFYSA-N 453.402 4.975 10 10 JJCE Cc1c(Cl)ccc2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866077577 JDSMZNKFVVKWJV-HSZRJFAPSA-N 467.013 4.513 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C\c4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970273 HJPCEKIDJOUJJJ-AUWJEWJLSA-N 495.027 4.674 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970372 OSTQXTNFWIWBEL-LICLKQGHSA-N 494.599 4.563 10 10 JJCE CCCCCCOc1cn(CCCOCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672570 VJZQHVUPDBHVLD-UHFFFAOYSA-N 485.669 4.565 10 10 JJCE CCCOC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234046 YIVSJWILZIBNHY-VWLOTQADSA-N 491.588 4.715 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O 1873164567 HRTBEXQGDJSGQZ-UHFFFAOYSA-N 496.655 4.838 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873167150 UPLVGFXYVIGLFS-UHFFFAOYSA-N 497.595 4.691 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCC)C1=O 1873170021 LOTNZDHDZGUSQC-UHFFFAOYSA-N 451.611 4.771 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(CC(C)C)C2=O)cc1 1873423277 AVZXWOHUDGFHNG-UHFFFAOYSA-N 471.557 4.713 10 10 JJCE C[C@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1Cc1ccccc1 1881515256 KCRKCAJDDOCYND-IDISGSTGSA-N 452.643 4.530 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2296546046 JHSWLIJPKXYPAM-UHFFFAOYSA-N 451.573 4.652 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2296546127 OREUHRZVDCBBFO-MRXNPFEDSA-N 464.616 4.725 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3nc(C)cs3)C2=O)cc1OC 2296882401 SNQSDFWQNDRLNU-UHFFFAOYSA-N 491.660 4.869 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 2297341082 SEGYMGFBYUBMIK-UHFFFAOYSA-N 496.614 4.791 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(F)c(Cl)c1 2297349793 JIXALZWDYHUDML-UHFFFAOYSA-N 478.954 4.828 10 10 JJCE CCC(CC)C1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 2297470446 ZZPSESLTDFMKQU-UHFFFAOYSA-N 496.614 4.818 10 10 JJCE COc1cccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)c1OC 2332130643 LASOSEARQXYSML-UHFFFAOYSA-N 455.230 4.815 10 10 JJCE Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1F 1095364 BTXQVNCERVMIJN-BKUYFWCQSA-N 497.482 4.532 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1Cl 33304285 CWEQDSOUANMRPJ-NTEUORMPSA-N 453.770 4.649 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOc1ccc(OC)cc1 33419798 JBFVGMRFYIRLAR-RCCKNPSSSA-N 459.589 4.773 10 10 JJCE COc1ccc(-n2cccc2/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1 33420566 JAEHIOKHCKMQGG-UYRXBGFRSA-N 482.359 4.920 10 10 JJCE Cc1sc2nc(/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 95926802 LLPFZUXTGCMTSF-PGMHBOJBSA-N 462.619 4.755 10 10 JJCE COc1ccc(N2CCC(NC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)CC2)cc1 110359469 YYXDNYHXRBWWPT-VWLOTQADSA-N 465.638 4.532 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 209668834 GRKFUMLPQFOOLJ-GDNBJRDFSA-N 479.584 4.695 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526298746 LMXJENLMPDKLQC-NRFANRHFSA-N 453.878 4.826 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526469130 PUUUOENVWQYQRT-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE CCCc1cc(=O)oc2c(C)c(O)c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@@H]34)cc12 1614472463 KCPUSSFLKJQTQY-DHLKQENFSA-N 470.654 4.863 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1OCC 1858587086 NDOTZXYAWXCUIL-RCCKNPSSSA-N 459.589 4.773 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)cccc21 1861858059 AVRNBTMUARJDEC-SFHVURJKSA-N 458.945 4.966 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679724 CPOSVWBXUAPEOE-LPYMAVHISA-N 458.514 4.557 10 10 JJCE CCc1sc(NC(=O)[C@@H](C)[C@@H](C)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866261821 FAPNKEUZEFLTTM-WDEREUQCSA-N 468.369 4.822 10 10 JJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1O 1951664498 ATTJTEUWEHKVQH-QFIPXVFZSA-N 462.458 4.745 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1O 1952828704 DFTWKHSWIMDQIM-XUZZJYLKSA-N 474.469 4.697 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(Cl)cc(Br)c1O 1952859706 BESHIBLWATVDME-BBRMVZONSA-N 454.704 4.593 10 10 JJCE CC1=NN(c2ccc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 2059012412 NBCNIMFWUNBYAK-VNGGHEQXSA-N 490.629 4.520 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cccc2ccccc12 2296881453 INIYQZHPILLDFF-UHFFFAOYSA-N 462.552 4.799 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2296882122 JOOGOCQNYYHEDO-FQEVSTJZSA-N 457.573 4.901 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)o1 2313553141 KLWUCFYHGVEWAF-UHFFFAOYSA-N 459.458 4.700 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314836110 AEXRGVNBNBXQKD-LLVKDONJSA-N 452.479 4.639 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 16922788 JXPVCYCQVYIZID-ATVHPVEESA-N 464.515 4.614 10 10 JJCE O=C1C[C@H](N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 33457416 QDZYAHHBKWDCSG-WNLSXJKCSA-N 463.367 4.527 10 10 JJCE CCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33459296 DOMULTHXSHPWHS-QGOAFFKASA-N 456.637 4.605 10 10 JJCE CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccncc1)N1CCN(CC)CC1)c(O)c1ccccc12 33599778 LEINWMDUUXAIEA-RUZDIDTESA-N 473.573 4.899 10 10 JJCE CN(C)c1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 35147042 BMGGBZAFZSPZJE-QGOAFFKASA-N 474.380 4.580 10 10 JJCE COc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)cc1 754541994 IASUBWUJJKCJHK-UHFFFAOYSA-N 452.466 4.697 10 10 JJCE COc1ccc(N2CCN(C(=O)CCn3ccc4ccc(OCc5ccccc5)cc43)CC2)cc1 1860234354 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2297531903 BCNROOQMIBKSDZ-UHFFFAOYSA-N 468.488 4.649 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)c1 2313556290 UUGPDPSEIAKFSO-UHFFFAOYSA-N 472.925 4.591 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836553 GQLMYVOZGNWUBO-UHFFFAOYSA-N 487.647 4.691 10 10 JJCE CCc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)N(CC)CC)cc3)SC2=S)cc1 2321655117 AFRVJAWJOHJMSR-UHFFFAOYSA-N 454.617 4.902 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323865569 UKBWGUDLRHCWAM-AWEZNQCLSA-N 484.780 4.835 10 10 JJCE Cc1cc(C(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)c(C)n1-c1ccc(F)c(Cl)c1 16322422 VENXALHUPRQTBP-UHFFFAOYSA-N 495.967 4.756 10 10 JJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 16694233 ITFDDJZSIHOPJZ-KQWNVCNZSA-N 480.977 4.537 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 39845416 NOCMCOHRSDAGSR-UHFFFAOYSA-N 499.976 4.756 10 10 JJCE O=C1N=C(O)/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)N1c1ccc(F)cc1 59106159 SDYCOJHXVJIIIY-WZUFQYTHSA-N 484.075 4.563 10 10 JJCE CCN(/C=C1\SC(=S)N(c2cc(Br)cc(Br)c2)C1=O)CC 59397243 SWXVLXHQYVACMD-WQLSENKSSA-N 450.221 4.760 10 10 JJCE COc1ccc(/C=C2/C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)cc1OC 59860860 LDHZBZHEJJMGPJ-NTEUORMPSA-N 459.296 4.590 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)o2)ccc1Cl 59862082 FMMAKUGZLMUXLO-PDGQHHTCSA-N 480.860 4.902 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1 98038515 IUSVWAIIKPEYJY-WAPYETIASA-N 498.406 4.522 10 10 JJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc1Cl 103719494 CGEQVQANXRZXQY-WEQSZXBMSA-N 455.923 4.583 10 10 JJCE COc1ccc(N2CCC(NC(=O)Cc3c(C)nn(-c4ccc(C)c(Cl)c4)c3C)CC2)cc1 110473937 FNWMANPYHGHRNN-UHFFFAOYSA-N 467.013 4.787 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526623253 YOPVSEWFIAYTFJ-SANMLTNESA-N 472.541 4.534 10 10 JJCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNC(=O)C(C)C 1705669833 YHGVIKLMMQQMFB-MUUNZHRXSA-N 472.637 4.507 10 10 JJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 1858586640 FHYYMFSIYZSPSN-GZTJUZNOSA-N 450.925 4.537 10 10 JJCE CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118098 KWTYQVFBLLIAGE-HHHXNRCGSA-N 471.601 4.610 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccccc3)C3CC3)c3ccccc3)CC2)cc1 1868685439 CFZYULWQGAGSFE-JDXGNMNLSA-N 497.639 4.785 10 10 JJCE CCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165230 JKUXVZGHLHRFPK-UHFFFAOYSA-N 485.584 4.549 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873165550 NNDVCHGUOCQQQF-UHFFFAOYSA-N 496.611 4.524 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422842 RYTYJRQHIUVAPC-UHFFFAOYSA-N 479.527 4.991 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427295 KGICZYJSGXXCCC-UHFFFAOYSA-N 490.554 4.659 10 10 JJCE Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c(O)c1 1873875457 HLRSXFVVBGVPJA-MUUNZHRXSA-N 480.568 4.831 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCCOc1ccccc1 2293415053 OEZIAZSQLVIZMT-UHFFFAOYSA-N 458.514 4.968 10 10 JJCE Cc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296398005 MREKUPYVDVYYRL-UHFFFAOYSA-N 483.524 4.592 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1OC(C)C 2296910948 HAWSHHQVEYIKEZ-UHFFFAOYSA-N 473.323 4.749 10 10 JJCE CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)N(C)C2=O)c1 2297306610 AUHIJTPNSCHMRX-UHFFFAOYSA-N 458.561 4.754 10 10 JJCE C[C@@H](COc1ccccc1)Cn1cc(C=C2C(=O)NN(c3ccccc3)C2=O)c2ccccc21 2297463220 PULTZXQZKMEWIO-HXUWFJFHSA-N 451.526 4.818 10 10 JJCE COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 2313683581 GPGABJQCVROSEF-UHFFFAOYSA-N 471.513 4.627 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)cc2c1 2314647612 FUEUFHGREZEALC-UHFFFAOYSA-N 475.639 4.824 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 2314722628 LSMGYPZTTCGOLP-UHFFFAOYSA-N 471.604 4.596 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OC(C)C 2314754666 YBKQIOKOIYHNGI-UHFFFAOYSA-N 451.610 4.807 10 10 JJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 2314932249 UWRHTKAMODYYLJ-UHFFFAOYSA-N 453.463 4.965 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139771 QGOKHNCBYOXOHP-UHFFFAOYSA-N 479.577 4.537 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2c(Cl)cccc2Cl)N3)CC1 14546737 KEQMGSLSEAZXFF-SEPYTNNBSA-N 478.445 4.756 10 10 JJCE COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 40940222 VOCSGNXHSKBBAT-OQLLNIDSSA-N 483.796 4.657 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)o1 59861954 IOFKHIYHVJMTQT-PDGQHHTCSA-N 461.430 4.987 10 10 JJCE C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 103040884 MCEQQYNNIWERJB-MQMKENTISA-N 470.019 4.770 10 10 JJCE CC1CCN(c2nc3ccccc3cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 208281515 VZMYPJRFROAEAU-ORTNRGLGSA-N 453.633 4.851 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c1 526157290 HCWUTLNNZVDDTF-VWLOTQADSA-N 475.497 4.715 10 10 JJCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)CC1 727303952 YWXABSZUHRSILZ-UHFFFAOYSA-N 488.632 4.838 10 10 JJCE COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCCC1 920870413 FFCHURFRIXARFR-UXHICEINSA-N 467.610 4.975 10 10 JJCE C/C(=C\c1ccccc1)CN(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1458970102 WIVHLTBJUIAGHN-CMMGMQPASA-N 454.592 4.979 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccc(F)cc1 1860651498 DWTYTQGCFGCBKP-LJQANCHMSA-N 495.576 4.925 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862310532 AUYADJKGCQLLFO-UHFFFAOYSA-N 498.602 4.827 10 10 JJCE Cc1c(Cl)ccc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866077578 JDSMZNKFVVKWJV-QHCPKHFHSA-N 467.013 4.513 10 10 JJCE COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884266 OAMWMHAHUSDNTO-OAQYLSRUSA-N 459.590 4.517 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873168509 XOZUGBQLSIGYAG-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(F)c(F)c4)c4ccccc34)[C@H]21 1873884693 ZYRGHZUMXYOMBX-SANMLTNESA-N 472.495 4.705 10 10 JJCE CCN1CCc2cc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]3C(=O)O)ccc21 1952921347 WOEOSEQUMUHQJC-ABYGYWHVSA-N 468.553 4.908 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(C=O)c2I)cc1C 2080000925 AOSPASZKZXFEEB-QGZVFWFLSA-N 450.320 4.674 10 10 JJCE Cc1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2293631577 MGZVXROACZTPAG-UHFFFAOYSA-N 476.916 4.773 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3SC(=S)N(C)C3=O)c2C)ccc1I 2297559523 DTNFJAJCKDAISN-UHFFFAOYSA-N 468.385 4.838 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2314401454 YVWXCMKJQJCLMH-UHFFFAOYSA-N 490.654 4.785 10 10 JJCE COc1ccc2nc(NC(=O)CCCN3C(=O)C(=Cc4ccccc4)SC3=S)sc2c1 2314563167 NEVJSRHPEGHHPA-UHFFFAOYSA-N 469.613 4.925 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 2314952168 VLLJWUQDWMEMRY-XMMPIXPASA-N 483.597 4.978 10 10 JJCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O 2323873969 CXNCOUCVKHAIPD-UHFFFAOYSA-N 468.673 4.878 10 10 JJCE CCC[C@@H](NC(=O)C=Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330431554 SYPWNIKDWCYQIG-HSZRJFAPSA-N 490.431 4.649 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)c1O 2332124778 OKJZXWUZKVRIJZ-UHFFFAOYSA-N 469.257 4.816 10 10 JJCE O=C(COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O)Nc1cccc(C(F)(F)F)c1 15056168 NMQKVCDQKBPPIQ-CHHVJCJISA-N 472.897 4.865 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(Cl)c3C)ccc21 20729344 JHDVFTBVHRFMAL-UHFFFAOYSA-N 487.113 4.952 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(OCC)c3)C(=O)N=C2S1 34865614 PACRMFNMVIAEMZ-OAKBMTRYSA-N 468.560 4.785 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)C(C)C)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423054 LHXSQDSIXXTLQI-UHFFFAOYSA-N 476.639 4.702 10 10 JJCE COc1ccc(/C=C2\SC(Nc3nnc(SCC(=O)Nc4cccc(C)c4)s3)=NC2=O)cc1 54201826 YYNIBNFYYRUSLE-BOPFTXTBSA-N 497.627 4.668 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc(OC)c1O 210499960 KCYJMSVYVCWNFI-NBVRZTHBSA-N 467.609 4.816 10 10 JJCE [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@@H](O)[C@@H](COCc2ccccc2)O[C@H]1OCc1ccccc1 381051246 HEPLJHDCXLLGPB-NNRJALBFSA-N 475.545 4.770 10 10 JJCE CCCCS(=O)(=O)N(CCCOc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189374 FNDYOXNYYSUMTO-UHFFFAOYSA-N 477.582 4.867 10 10 JJCE CC(C)Oc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1 1860085292 BNSZBFACDNHBIY-CJLVFECKSA-N 453.633 4.631 10 10 JJCE CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860273010 BBWZYNLBIILOBS-HXUWFJFHSA-N 478.589 4.569 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1860759579 XLPRWBJFKDQYAT-UHFFFAOYSA-N 470.978 4.851 10 10 JJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865029435 MZLQMXRILMVARZ-QHCPKHFHSA-N 490.604 4.579 10 10 JJCE C[C@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(Cc3ccccc3)n2)CCO1 1868208937 OGLBMMQBWUWCIC-IBGZPJMESA-N 490.563 4.812 10 10 JJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N(C)CC(C)(C)C)n1 1868254531 SHWKNOZYVXYPIN-UHFFFAOYSA-N 458.562 4.667 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873166435 PTNFRAJEDOKSEC-DEOSSOPVSA-N 461.606 4.665 10 10 JJCE Cc1cccc(CNC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873874703 CQENAHUAKJXYPM-UHFFFAOYSA-N 462.553 4.589 10 10 JJCE COc1cccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1O 1952819292 SYTUYVYSBQUZMU-ZJSXRUAMSA-N 459.498 4.798 10 10 JJCE CCOc1cccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1O 1952830626 YAHYPNNAIPALQA-CUNXSJBXSA-N 459.498 4.629 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079843338 FNTMHSNKNHHNHB-QGZVFWFLSA-N 451.361 4.833 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 2180991288 LKZIYAPLXDLSRX-OFVILXPXSA-N 471.602 4.769 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1ccccc1 2296908767 DDSXUOGVNAWSAY-UHFFFAOYSA-N 470.481 4.809 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2OC)cc1 2297358276 GIJJPJOEPOYPMA-UHFFFAOYSA-N 498.535 4.590 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OCC 2314767054 CYIKATDJHBHPPQ-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OCC 2314769874 WLPKHJCEXUBOMF-HXUWFJFHSA-N 457.573 4.901 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)NCc1ccccc1 2314828398 SXHIWFFJZMUVLS-UHFFFAOYSA-N 451.400 4.901 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 16919581 OBSTXQPPDONXFH-LDADJPATSA-N 463.964 4.998 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 33317862 RTLDRZXWBKFKCO-ODLFYWEKSA-N 491.431 4.828 10 10 JJCE O=C1/C(=C\c2ccccc2)SC(=S)N1CCN1C(=O)/C(=C\c2ccccc2)SC1=S 33757504 UHVIESKMVMDAOA-HBKJEHTGSA-N 468.650 4.789 10 10 JJCE CCOC(=O)c1c(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)sc2c1CCCC2 35655887 ZOBQACDEWNOQOG-ATVHPVEESA-N 486.640 4.887 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066490 FDYLATUHLFOOML-RANIVTSPSA-N 496.658 4.669 10 10 JJCE CCOc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OCC 213809018 GEEWWJBDWXFBLP-POHAHGRESA-N 478.511 4.669 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1O 226672674 CGNFSQWHJBSTDQ-RNHFSVANSA-N 454.592 4.792 10 10 JJCE Brc1cc(CN2CCN(CCOc3ccccc3)CC2)ccc1N1CCCCC1 1308649526 CFGHPUKXIXADSI-UHFFFAOYSA-N 458.444 4.636 10 10 JJCE COc1ccccc1Nc1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cs1 1860824855 YOLVBJCBUSALKB-UHFFFAOYSA-N 469.522 4.852 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864011586 VXJJEZAQPLPHMS-HSZRJFAPSA-N 490.604 4.627 10 10 JJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013930 JFYKIZPELOWWPQ-DEOSSOPVSA-N 498.583 4.608 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CC[C@@H](C)C2 1866279220 QWJOALNLZGCXNT-MSOLQXFVSA-N 495.645 4.641 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cccc(Br)c3n2)N2CCCCC2)cc1 1866544664 SBEDECDKFIMFBB-JOCHJYFZSA-N 497.437 4.726 10 10 JJCE CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)c(C)c1 1871312183 HWYDWMQAZXNQJU-UHFFFAOYSA-N 491.596 4.618 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)cc2O)C1 1952451945 DFUSMDCZMSMDQJ-FYSMJZIKSA-N 459.498 4.885 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1c1cc(Br)cc(Br)c1O 1952456656 NRJLSUWMEGDOKJ-TVQRCGJNSA-N 479.165 4.690 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)cc1C 2080047923 LCMNFESUHYRZDX-CQSZACIVSA-N 465.257 4.801 10 10 JJCE COCCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](C)(CO)c1ccc(N(C)C)cc1 2219989297 DQTJHZYBVJOHIC-LJAQVGFWSA-N 474.601 4.858 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2296545995 FKXPGBRATMANMO-UHFFFAOYSA-N 478.643 4.515 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 2314817638 COSGMMKADKQPKK-UHFFFAOYSA-N 494.573 4.594 10 10 JJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314939424 QVWRFPAFDPDPKE-HXUWFJFHSA-N 480.523 4.970 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14458853 NSRINMXZOQSNGX-ZYLNGJIFSA-N 454.592 4.838 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)CC1 14478047 DEYZECOAJMSAHH-YDIMBITNSA-N 453.564 4.842 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1OCC(=O)O 16915076 FNOLAFOAXADDKS-RGVLZGJSSA-N 451.525 4.718 10 10 JJCE CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S 39850177 AOHCAQYWILSLGI-STZFKDTASA-N 463.584 4.922 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCCCC2)SC1=S 39990320 XZNZMJNLONJGRB-HKWRFOASSA-N 472.680 4.820 10 10 JJCE CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1 47152200 QXWWXOOTFMVFAC-FQHLDWHWSA-N 453.545 4.771 10 10 JJCE CCOc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 101350832 LXJPKKFDAKPBDK-QJOMJCCJSA-N 490.585 4.913 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC1CCCCC1 211949781 PSHHWTRQZVRVAK-PXLXIMEGSA-N 488.675 4.866 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526227316 RPBOVYWZRISURS-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(OC)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526230016 UQTWDOQCKAMKNA-DEOSSOPVSA-N 493.512 4.580 10 10 JJCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 1479099571 MJXQIHZPQNNGKE-AREMUKBSSA-N 450.627 4.807 10 10 JJCE COc1ccc(OC)c(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1 1858594220 PYLBNPNDYOPJIQ-INKLHFNDSA-N 454.617 4.742 10 10 JJCE CC(=O)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1860344928 IBOLEDNWHNXLTG-UHFFFAOYSA-N 476.536 4.806 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCSc1ccccc1 1860345066 QYAVIIAAULHFNQ-UHFFFAOYSA-N 494.620 4.873 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2nc3ccccc3[nH]2)C1=O 1873164438 BWVOXXULIHOMIL-UHFFFAOYSA-N 481.600 4.683 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873165919 WPFKMPLZOTYAOW-UHFFFAOYSA-N 479.584 4.783 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873166767 YNHFGQMPBWGNKG-RUZDIDTESA-N 473.617 4.833 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079006552 DJQNXMQUNXUOAX-GOSISDBHSA-N 480.346 4.945 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C=O)c1I 2080030635 PQVCFSRQMUOJNV-GFCCVEGCSA-N 452.214 4.641 10 10 JJCE CCN1CCc2cc([C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc3ccccc3)ccc21 2106851380 SPONLTSGYUWRAC-OWAUWMPXSA-N 453.627 4.828 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NCc3cc(Cl)cc(Br)c3O)C[C@@]2(C)C1 2172908327 FDPUUEQNPDEQOS-AGKSTNPPSA-N 459.812 4.933 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 2296740091 BIYJXGWKBLXQKI-UHFFFAOYSA-N 465.600 4.530 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2296849569 USTDIIXFVQLJRU-OAHLLOKOSA-N 451.573 4.795 10 10 JJCE COCCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S 2297349510 FTFVMDXOSSWKLK-UHFFFAOYSA-N 494.432 4.884 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 2313548733 DHWSAMSKCYFQFG-UHFFFAOYSA-N 485.279 4.706 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(C)C 2314764523 FPLXFZAURYRNBK-UHFFFAOYSA-N 470.616 4.975 10 10 JJCE CN1C(=O)/C(=C\c2cc(Br)ccc2OCCOc2ccccc2)SC1=S 27531674 RPCADZIGIZBPER-SFQUDFHCSA-N 450.379 4.738 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccccc3C)c(OC)c2)SC1=S 27531752 ZJFNXNZLYXANTC-CJLVFECKSA-N 473.616 4.699 10 10 JJCE Cc1ccc2nc(N3CCCC3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 33445692 WZFUUJZVXNDRES-LCJWNIEWSA-N 476.627 4.566 10 10 JJCE COCCN(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1 34760611 KCNMFQIFMLOVDK-LBNVMWSVSA-N 493.692 4.642 10 10 JJCE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066399 GQEYVXAOGWAEBS-BKUYFWCQSA-N 480.659 4.560 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3cccc(Br)c3)cc2)SC1=S 40937957 PHMOVQGFUSQCBV-LDADJPATSA-N 492.416 4.792 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc(OC)c1OC 59382183 ITIBGTIXYWOGDD-LICLKQGHSA-N 450.969 4.637 10 10 JJCE COc1ccc2[nH]cc(CCN/C(C)=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3c3ccccc3)c2c1 205953710 NYNUOUBUWMGIPH-NLRVBDNBSA-N 495.539 4.942 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210719965 ZKXTZGGPPFOZSI-KGENOOAVSA-N 493.610 4.965 10 10 JJCE CN1CCN(c2ccc(/N=N/N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 1860485921 FSLABHYLJCAOLH-QVIHXGFCSA-N 454.622 4.844 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2c(F)cccc2F)sc(C)c1-c1ccc(C)c(C)c1 1860748896 MQRQNPAEDQXGQI-UHFFFAOYSA-N 458.486 4.982 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1860749190 XDBTZINAMLRTIT-UHFFFAOYSA-N 487.921 4.957 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 1865677398 HGXHJNUKMRMZFE-RGEXLXHISA-N 489.494 4.681 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1868031580 KOKLJNOFKAHPMH-OAQYLSRUSA-N 450.410 4.782 10 10 JJCE COc1ccccc1OCc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1871279465 XSYQNUSAHSTFHU-UHFFFAOYSA-N 453.450 4.895 10 10 JJCE Cc1ccc(C)c(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873168624 CFXQJPQHZSTTTJ-UHFFFAOYSA-N 493.611 4.546 10 10 JJCE Cn1cc(/C=C2/SC(=S)N(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C2=O)c2ccccc21 2059061578 HUXOHQULWBCOTE-DZHBYYBYSA-N 451.617 4.627 10 10 JJCE O=C(NN1C(=O)C(=Cc2cccs2)SC1=S)c1ccc(OCc2ccccc2)cc1 2296215396 VRHZDUYGYGCLAC-UHFFFAOYSA-N 452.582 4.873 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)C(=Cc2ccccc2)SC1=S 2314397314 AFGFYHDCXLBFEP-UHFFFAOYSA-N 473.790 4.958 10 10 JJCE CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141337 QMALHZLXAILRNI-UHFFFAOYSA-N 459.861 4.740 10 10 JJCE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33436321 SCWGWULFAXESKP-OQKWZONESA-N 498.633 4.751 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(C)(=O)=O)SC2=S)cc1 33446698 AZIPDKNEGBDNOR-MHWRWJLKSA-N 484.418 4.502 10 10 JJCE Cc1ccc(C)n1-c1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCC3)no2)cc1 65075982 NPQLSMFZHLSOOM-UHFFFAOYSA-N 481.560 4.568 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=S)cc1 95927123 RSHHBFKILHABAV-RGEXLXHISA-N 470.572 4.738 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1Cl 1084149109 QDOQRWCPQZUFEB-UNOMPAQXSA-N 480.879 4.733 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC 1084186284 SZKKMDXPTPZFNY-YBEGLDIGSA-N 487.350 4.530 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(C)C)[C@@H](C)C1 1690834489 KBOSSVFUEKUYCN-NRFANRHFSA-N 462.642 4.846 10 10 JJCE CSc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1 1772633369 VTRDNEOWTJUMQS-ZCYQVOJMSA-N 474.630 4.895 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)C3CCN(Cc4ccccc4)CC3)c2)c1 1860860845 TVRYANINCPPGCF-UHFFFAOYSA-N 456.590 4.856 10 10 JJCE CCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862133536 GBRCARXZNNMKPF-MHZLTWQESA-N 495.664 4.902 10 10 JJCE CCCCCOc1cn(CCCCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678179 LVXVUOLMRVDASZ-UHFFFAOYSA-N 455.643 4.938 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168291 QBCRPCAQTIHBCA-QHCPKHFHSA-N 493.611 4.812 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873169770 VCJXGKPCOZMFTF-UHFFFAOYSA-N 484.644 4.532 10 10 JJCE O=C(N[C@@]1(c2cccc(Br)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952815889 OLQXTFPEMDYNEP-NBGIEHNGSA-N 494.341 4.993 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CN)c2I)C(C)(C)C)cc1C 2080003736 QNARYEUYVBSYJU-SFHVURJKSA-N 467.395 4.956 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CCNC(=O)OC(C)(C)C 2162995390 TUDXTCIDVNAKDZ-ROUUACIJSA-N 474.646 4.549 10 10 JJCE Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 2296091326 KFMUHZREBIVZQK-UHFFFAOYSA-N 497.551 4.982 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297347624 OKPURSJSWAJSFW-UHFFFAOYSA-N 488.378 4.865 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 2297480317 MACGOLQKPIZNRF-UHFFFAOYSA-N 476.048 4.833 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCCC(C)C 2314754099 KPSLHDWDPUQEDM-UHFFFAOYSA-N 451.610 4.966 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc1 16914594 NTHHROJXUDNFHL-SANMLTNESA-N 481.015 4.838 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 39835655 VKQIOJWCHWFJIE-FOWTUZBSSA-N 457.964 4.751 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S 102686827 RMCUDGQQHPFAAN-FBMGVBCBSA-N 458.653 4.712 10 10 JJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Br)c1 103719636 DWAJMGKKLGHWAX-CYPXAJCBSA-N 484.375 4.992 10 10 JJCE CN(c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1)C1CCCCC1 731402444 ZILYNSLWXRYWAN-XMMPIXPASA-N 485.650 4.730 10 10 JJCE CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC 1084147060 VNHWLRWSOFEVGH-YBEGLDIGSA-N 487.350 4.530 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4c(Br)cccc34)c2)CC1 1529146756 YNIIBATXEFPOSF-UHFFFAOYSA-N 452.352 4.523 10 10 JJCE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3OC)c(C)cc2=O)sc(C)c1-c1ccccc1 1866284575 DGSOXSOSWAGIDI-UHFFFAOYSA-N 489.553 4.625 10 10 JJCE CN(Cc1ccccc1)c1nc(=Nc2cc(Cl)ccc2O)nc(N(C)Cc2ccccc2)[nH]1 1871732867 WGZCFFSQUNQVBH-UHFFFAOYSA-N 460.969 4.669 10 10 JJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873165601 QRIWPIBQABGISV-UHFFFAOYSA-N 497.595 4.693 10 10 JJCE CN1CCc2cc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](F)C(=O)O)ccc21 1927493661 QXJZTJGDLVEOLK-RPBOFIJWSA-N 460.505 4.681 10 10 JJCE CC(C)(C)OC(=O)NCCCn1cc(NCc2cc(Cl)cc(Br)c2O)cn1 2237653237 GJRYQEPNZVVYGU-UHFFFAOYSA-N 459.772 4.532 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2367057233 RDJFEGHXBIKDAC-FDFHNCONSA-N 476.662 4.558 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 15037703 IAXRPBRPIACTSZ-ATVHPVEESA-N 466.506 4.944 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15046317 DAFBFGXVSCHKLQ-OKHBPPCESA-N 465.369 4.817 10 10 JJCE Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)c(C)n1-c1ccc2c(c1)OCCO2 33103207 MXYLSXMQOPUALI-UHFFFAOYSA-N 471.513 4.641 10 10 JJCE Cc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 34683766 QASUTTPUVDGGEU-UHFFFAOYSA-N 463.647 4.921 10 10 JJCE C[C@@H]1CCCC[C@H]1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344993 LYJKXLKORKMHDF-XMSQKQJNSA-N 454.574 4.659 10 10 JJCE Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1860347492 RNCFDSHXTPWHSM-MHZLTWQESA-N 450.542 4.735 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccc(F)cc1 1860550980 CXUAFODKBKRTJU-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CCCCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422332 RKOCOJXLQMCITA-UHFFFAOYSA-N 498.627 4.765 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](C)c2ccc(C)cc2O)c1I 2079003787 GJMCXQVMMBLSBP-GFCCVEGCSA-N 454.308 4.555 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@]1(C)CNC(=O)OC(C)(C)C 2163172110 NBAIXPXSXZOROZ-MRDQGFSESA-N 474.646 4.549 10 10 JJCE CCCCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 2296700142 BHCKKLUFMXTRCU-UHFFFAOYSA-N 472.544 4.824 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)cc1 2297321840 MFATVWKLGYOUHB-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(Cl)cc1 2314828735 WUSNMBURDBKKIB-UHFFFAOYSA-N 483.796 4.648 10 10 JJCE O=C(O)CCCNC(=O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15040640 PPXJUMSTCTUWIV-JWGURIENSA-N 492.622 4.955 10 10 JJCE O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 105689317 CLMQLQSUHUWEGH-HSZRJFAPSA-N 452.432 4.632 10 10 JJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 206727472 HSTPYSQUFVZBEQ-LPYMAVHISA-N 477.611 4.866 10 10 JJCE [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1 384358355 HEPLJHDCXLLGPB-RFNQJFSXSA-N 475.545 4.770 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN(CC)CC)sc(C)c1-c1ccc(Cl)cc1 1860758203 GLDLQFQAFAWNDL-UHFFFAOYSA-N 494.057 4.730 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc4ccccc34)c3ccccc3)CC2)cc1 1862240220 TWNUVFLCVPGNAD-MUUNZHRXSA-N 479.580 4.668 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864021108 KJQBUHNMHHANRS-PGRDOPGGSA-N 484.641 4.682 10 10 JJCE Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)oc2ccc(Cl)cc12 1866292728 AXFSRLWQDYVVDD-JOCHJYFZSA-N 467.997 4.778 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c[nH]c4cc(Cl)cc(Cl)c4c3=O)cccc21 1866455700 UHASNYQIFRZXEL-UHFFFAOYSA-N 463.276 4.863 10 10 JJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873419355 AVRITGITBGVCAH-QHCPKHFHSA-N 485.584 4.782 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079032000 VQWCJFMJZMWJIL-QGZVFWFLSA-N 482.362 4.975 10 10 JJCE CC(C)(C)OC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1[N+](=O)[O-] 2079195744 KAZTWYNWUOXSFL-UHFFFAOYSA-N 455.311 4.538 10 10 JJCE CCN(CC)CCN(Cc1ccccc1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2095877676 OVCYCEYYLSJVON-UHFFFAOYSA-N 452.643 4.910 10 10 JJCE CCN(CC)c1ccc([C@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NC)cc1 2106865950 NTTCNCWXEXLDHZ-VWLOTQADSA-N 454.659 4.820 10 10 JJCE CN[C@@H](c1ccc(N2CCCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163156516 RDLZEMVXRKYKGK-UIOOFZCWSA-N 466.670 4.963 10 10 JJCE CC[C@@H]1CCCCN1C(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2295934308 ZWLJICFFQRRKDS-MRXNPFEDSA-N 467.454 4.832 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)cc1 2297309359 SHRMOZAZWBMKDM-UHFFFAOYSA-N 484.386 4.780 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)ccc1OC 2323880060 NQCOUYOUQPWDHA-IBGZPJMESA-N 472.632 4.607 10 10 JJCE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15046950 RKINGXCKUOVVCC-QNKACBJSSA-N 453.372 4.927 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 33591631 WKYZJOFQPVOLCQ-CYPXAJCBSA-N 455.923 4.583 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)cc1 526617617 RSGAUXHHAULHHO-JOCHJYFZSA-N 457.404 4.971 10 10 JJCE CCOc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344936 IPELOBMOYPBGRJ-UHFFFAOYSA-N 464.525 4.612 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CCC4CCCCC4)CC3)cccc21 1860593674 PLOJCKUICZDORG-UHFFFAOYSA-N 472.585 5.000 10 10 JJCE CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867049463 ASGMEERCDUEAAD-CUYJMHBOSA-N 480.564 4.879 10 10 JJCE C[C@H]1COC[C@H](C)N1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(C(C)(C)C)n1 1868341591 WLYDDVPBWRUWEQ-IRXDYDNUSA-N 470.573 4.907 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868710521 UQAXPAJKLHOEAJ-XMMPIXPASA-N 483.628 4.516 10 10 JJCE CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1N=Nc1cccc(CO)c1 2297734886 HGPGYVKIDGLNEJ-GOSISDBHSA-N 470.352 4.940 10 10 JJCE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cccc(Cl)c3Cl)SC2=S)cc1 2314828681 VJWHYHIJJSOXFC-UHFFFAOYSA-N 453.372 4.842 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC)C(=O)O 2314932938 QHESZZUNBLCYPF-KRWDZBQOSA-N 471.556 4.546 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)c1 2321663888 JZGQMAARVKIGPK-UHFFFAOYSA-N 451.982 4.781 10 10 JJCE CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 8766303 TWDDLGYTGWHOJS-SSZFMOIBSA-N 460.650 4.809 10 10 JJCE COc1ccc2c(c1)CCCN2C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11646156 GMWRTTXWEOHIPU-JOCHJYFZSA-N 463.603 4.809 10 10 JJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048804 BEEAVZMNDFZAIY-JPVKTXQWSA-N 481.624 4.951 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 20704746 JWXUZIZOLGATRW-XWIDLSQFSA-N 489.981 4.532 10 10 JJCE O=C1/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33526255 OPFMQJSXUJBFSR-XDJHFCHBSA-N 468.648 4.973 10 10 JJCE O=C(NCc1ccco1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586620280 ARVRQGXCUHOTHH-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)C1 1286844112 DCDUSUDMYUFXHM-KRWDZBQOSA-N 491.086 4.542 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 1862147285 QZYZEPZWGMHQLN-GUWJCNJBSA-N 490.003 4.568 10 10 JJCE CCOC(=O)CCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1866120367 MAZWICJHHXONGS-UHFFFAOYSA-N 468.369 4.945 10 10 JJCE COc1cc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952908827 DMTXSJHGTQAYOC-YKSBVNFPSA-N 475.497 4.503 10 10 JJCE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 2296394023 FWGBCFYXCXJXDK-UHFFFAOYSA-N 487.562 4.759 10 10 JJCE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)c1 2296583850 YNFHIVCKXIRUGY-UHFFFAOYSA-N 496.928 4.528 10 10 JJCE Cc1ccc(OCCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2297096198 DLOGXJDCJPGJRR-UHFFFAOYSA-N 497.580 4.905 10 10 JJCE CCN1C(=O)C(=CC=C2Sc3ccc4ccccc4c3N2CCCS(=O)(=O)O)SC1=S 2297731497 GOROYEGAMLJULZ-UHFFFAOYSA-N 492.669 4.635 10 10 JJCE COc1cc(C)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(C)C 2313559660 KCZFOOGJRJMJJO-UHFFFAOYSA-N 457.324 4.556 10 10 JJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)c1 2314509060 RTIJJCYSLAPUKD-UHFFFAOYSA-N 451.573 4.713 10 10 JJCE COc1ccc(-c2cnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccco2)cc1 1355653 QFQXXEYEUFHIMK-UHFFFAOYSA-N 463.515 4.660 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 20356482 INJUMANABDSMDV-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(F)c(Cl)c3)ccc21 20729311 JFQTUOUTNFTNIG-UHFFFAOYSA-N 491.076 4.783 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 33373190 HSIVKMXEXJHVID-XSFVSMFZSA-N 484.599 4.794 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2)cc1 33441859 DLTXGLNAGIDZFE-HMAPJEAMSA-N 473.460 4.658 10 10 JJCE CC1CCN(C(=O)/C(Cc2ccccc2)=C2/SC(=S)N(Cc3ccccc3)C2=O)CC1 39793806 KOODXTDMYGQCTI-QURGRASLSA-N 450.629 4.802 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3nc4ccccc4s3)C2=O)cc1 40324205 HYMDKMIZYUSPFA-RGEXLXHISA-N 467.641 4.555 10 10 JJCE CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1=O)=C\c1ccccc1 101154652 JAFPCZCRYRQDOA-LJWICLCPSA-N 468.987 4.820 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCC)C2=O)cc1OCC 206867474 CNJVWCGYSDDYGJ-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526332294 CCIIVJHXWLMGKV-AREMUKBSSA-N 487.556 4.785 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccc(O)c(O)c1 526366619 DIGCDTAQWSHDEN-DEOSSOPVSA-N 476.529 4.628 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1859466269 MFWFXBVUTVDAEY-UHFFFAOYSA-N 490.446 4.654 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccc(Cl)cc4)c4ccccc34)[C@@H]21 1860347501 RVRVAKYYBUMWCB-HHHXNRCGSA-N 484.987 4.758 10 10 JJCE CCOCCCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169981 JXDZVZYCAKNZHK-NTKDMRAZSA-N 463.622 4.769 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2040867072 QQHCIWOUJKIMQU-LBPRGKRZSA-N 486.354 4.773 10 10 JJCE C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccc(N(C)C)cc1 2140602298 MKTPPNZKWJSGLX-OFVILXPXSA-N 452.643 4.525 10 10 JJCE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](N)c2ccc(N3CCCC3)cc2)C1 2268737191 DZXDCWBPPGHIMY-DEOSSOPVSA-N 451.611 4.741 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296732362 ZOJDDEFRFVLYSE-UHFFFAOYSA-N 458.653 4.852 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)o2)ccc1Cl 2313549303 SFGKDMOBPAJRRK-UHFFFAOYSA-N 478.888 4.670 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827255 AADJTMQCOHJQFA-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314836496 GCUAPUYLSCEWFH-MRXNPFEDSA-N 466.584 4.648 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OC(=O)c1ccccc1 33557469 GZNZALRLYOUGOG-RCCKNPSSSA-N 470.481 4.807 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccccc3cc2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 38732522 PYEKBCPDBWZYTG-ZHZULCJRSA-N 469.632 4.624 10 10 JJCE CC1CCN(C(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)CC1 211950513 BFQXJZKASKSHOF-RCCKNPSSSA-N 452.601 4.730 10 10 JJCE CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 726707388 YDQMJEKBUSBMRZ-FQEVSTJZSA-N 451.546 4.811 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ncc(C)s2)sc(C)c1-c1ccc(Cl)cc1 1860767859 KZZZLOSNJPMPRE-UHFFFAOYSA-N 463.968 4.896 10 10 JJCE Cc1ccccc1CCCC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867119364 GVYFUDQMAGFDMP-UHFFFAOYSA-N 468.553 4.627 10 10 JJCE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)c1 1873419265 XEECXEILGIHOAE-UHFFFAOYSA-N 495.535 4.866 10 10 JJCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2193231241 GZXXHSOQTFWYMP-DOTOQJQBSA-N 463.725 4.961 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 2294134255 XZJXAPUSWVFWQK-UHFFFAOYSA-N 451.276 4.684 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(Br)cc1O 2297349305 JVFCIFGTHUNNJD-UHFFFAOYSA-N 480.405 4.963 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S 2314769012 NHQXGDDBLBFMSL-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccc(O)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831349 JAXJVLLLSCEOKD-UHFFFAOYSA-N 471.560 4.701 10 10 JJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)C2=Cc2ccc(O)c(O)c2)cc1 2332094567 TULDOPXPGWTDGM-UHFFFAOYSA-N 452.869 4.729 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461308 MUXJFEALUSDAHB-DWKCODDLSA-N 469.379 4.890 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467263 HEOYLKXJQFXWOF-VWKPWSFCSA-N 481.401 4.546 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccnc3SCc3ccc(Cl)cc3)CC2)cc1 20663945 BFWBWNRBEXEHSE-UHFFFAOYSA-N 453.995 4.998 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33351667 FKXPGBRATMANMO-DEDYPNTBSA-N 478.643 4.515 10 10 JJCE Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 71933402 IWVYDQBVHBKNFE-UHFFFAOYSA-N 489.494 4.656 10 10 JJCE CCCCN(C)C(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586661884 PXDXEYFEDUTGQL-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE CC(=O)N1CCN(c2ccc(NC(=O)c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)CC1 1636165097 BYRZYUUYWXVHKK-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE CCCCOC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858847421 MSIIJWCEOHANFW-INIZCTEOSA-N 487.512 4.612 10 10 JJCE CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118102 KWTYQVFBLLIAGE-MHZLTWQESA-N 471.601 4.610 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(Cl)ccc(Cl)c3c2=O)N2CCCCC2)cc1 1866449502 YTVRZIIBMKAIKD-NRFANRHFSA-N 487.431 4.858 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)[C@H](C(=O)O)C1CC1)OCC1c2ccccc2-c2ccccc21 1951942564 CAZQORHMWKKPFG-ZEQKJWHPSA-N 473.525 4.658 10 10 JJCE O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1CCCN1CCOCC1 2053509439 VSXKUDCWUPEXBF-UHFFFAOYSA-N 482.549 4.889 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(Cl)cc(Br)c3O)[C@H]2C1 2149374653 MMXLXERSTNRTPQ-YLQAJVPDSA-N 459.812 4.933 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4cc(Cl)c(O)c(Cl)c4)C(=O)N=C3S2)c1 2297498205 OLLWNKMXPBOKMV-UHFFFAOYSA-N 461.330 4.706 10 10 JJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1)C(=O)O 2314926982 WXIMZWXEIDJUJO-MRXNPFEDSA-N 479.620 4.945 10 10 JJCE CCC[C@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330531526 MOMGKHGSIAJPQZ-QHCPKHFHSA-N 490.431 4.649 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 40888526 MABPHUWMRHVNCE-STZFKDTASA-N 471.600 4.737 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1nc2ccc(C)cc2s1 109654088 IAQBKPVFLMWCIH-XNTDXEJSSA-N 474.327 4.928 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 206718718 AWJBSXAIRRWZJS-QZQOTICOSA-N 474.648 4.918 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 211957298 HNPXCMVZONSDFR-CIAFOILYSA-N 498.557 4.846 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526430443 WCHGWTBPZVFFGR-OAQYLSRUSA-N 468.303 4.926 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC 1084418375 MDMIHVBPHLDGJD-DHDCSXOGSA-N 493.741 4.566 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc([N+](=O)[O-])c4)c4ccccc34)[C@H]21 1860347573 YMTHVFRTFUNNBY-MHZLTWQESA-N 495.539 4.725 10 10 JJCE CCCC[C@H](N)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866019564 RBYBNVOCYLZSBD-AWEZNQCLSA-N 453.402 4.983 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C(C)C)c3ccccc32)n1 1869135179 LONHAJPNBDZFMG-UHFFFAOYSA-N 472.637 4.741 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869177510 LTKAOIIWJRQRGC-OAQYLSRUSA-N 495.631 4.634 10 10 JJCE CCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884014 HBXKLGXTTBZZPR-UHFFFAOYSA-N 487.600 4.837 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170562 FUFJONBFLYLOOW-FBHNJWQJSA-N 491.632 4.542 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873932507 JUURNWDCZSLERD-MHZLTWQESA-N 495.539 4.644 10 10 JJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1 2296397967 JYWHQWHNQHFLOC-MRXNPFEDSA-N 472.497 4.913 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2314414650 HSODMLLZDMFASY-UHFFFAOYSA-N 456.637 4.603 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4Cl)n(C(C)(C)C)n3)CC2)cc1 2331397221 WYMRXENHBUNGGG-UHFFFAOYSA-N 495.027 4.674 10 10 JJCE Cc1ccc(CN(C)C(=O)c2csc(NC(=O)OC(C)(C)C)n2)c(O)c1Br 2380783814 PXMGEIQWSQKDCG-UHFFFAOYSA-N 456.362 4.539 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)SC1=S 33457444 XZNYVRRDQPKNPI-MLPAPPSSSA-N 458.742 4.648 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(Br)cc1O 96577001 WWEDRSXLKKKLGX-LICLKQGHSA-N 450.379 4.607 10 10 JJCE COc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1Cl 103400016 OFMOLJPTHJWZFD-HYARGMPZSA-N 467.928 4.963 10 10 JJCE CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210747276 GCWMLYVVJWRKPB-KGENOOAVSA-N 486.615 4.897 10 10 JJCE O=C(NCc1ccccc1OC(F)(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611338 RYBLBQPDOYKPLH-UHFFFAOYSA-N 459.415 4.655 10 10 JJCE Brc1ccc(-c2nnc(N3CCCOCC3)n2CCCSc2nccs2)cc1 1587545221 OUGXGXHQLDXFJX-UHFFFAOYSA-N 480.457 4.573 10 10 JJCE CCCC[C@@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868749433 PHNDBBCAIHNKDI-UCDYPZRHSA-N 484.040 4.776 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873164102 MGGWTDRFKFMIHN-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCC)C2=O)cc1 1873165831 WWAXZNXVFILTTD-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE CCCCc1ccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)cc1 1873914037 UFXWOBHILSRTMD-UHFFFAOYSA-N 499.519 4.908 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(CO)c2I)C(C)(C)C)c(O)c1 2080034770 PQUGHHMWFGYFMQ-GOSISDBHSA-N 470.351 4.597 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCCN2C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106862339 SYIQQSPUJGVOPG-ILBGXUMGSA-N 453.627 4.830 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 2294100497 QRDUYOFYKMZXBD-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE CC1(C)C[C@](C)(c2ccccc2)c2cc(F)cc3c2N1C(=O)C3=C1C(=O)N(c2ccccc2)N=C1N 2297731512 YWWHVDLNRBCAMT-GDLZYMKVSA-N 480.543 4.733 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Br)cc1 2313683214 USAPNIXYKUHSET-UHFFFAOYSA-N 485.363 4.711 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314768622 LJPWWLSBPGJGOA-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE COc1cccc(C=C2SC(=S)N(CCNC(=O)C(c3ccccc3)c3ccccc3)C2=O)c1 2318365790 VLXHSIIQGXZCOK-UHFFFAOYSA-N 488.634 4.845 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Br)cc2)[C@H]2CC=C[C@H]32)CC1 13639058 KLXMIGAOBRGBSZ-CNNODRBYSA-N 452.396 4.663 10 10 JJCE CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14460991 FBYZAAKFCHKDAJ-CKJXQJPGSA-N 463.397 4.668 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1OC 14479318 KGINYTSOXMATQC-SWYRRKHMSA-N 468.619 4.951 10 10 JJCE COc1cc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1OCCC(=O)O 16912310 VJUIBDSGKBYRHL-RQZCQDPDSA-N 467.330 4.938 10 10 JJCE C[C@@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(N2CCOCC2)cc1 210876960 YXXMFULXUUQEIU-QOYCNBSOSA-N 479.584 4.662 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526466156 UVUCLOQEFVSCMM-HSZRJFAPSA-N 463.461 4.861 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526512502 ZHHBMROETIRYGI-QHCPKHFHSA-N 496.947 4.892 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)N2CCCCC2)c1 586672860 LWNDHINTYBKQRA-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE CN(c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1)C1CCCCC1 731402443 ZILYNSLWXRYWAN-DEOSSOPVSA-N 485.650 4.730 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)c1 1083934791 UUGPDPSEIAKFSO-BOPFTXTBSA-N 472.925 4.591 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(F)c1 1084343094 FMMAHAXVQIAETF-JAIQZWGSSA-N 482.309 4.662 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)C[C@H]1C(F)(F)F 1168522980 IWFDIYNYAFFYJZ-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE O=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860555478 WHIXEFWWNNASSX-UHFFFAOYSA-N 462.465 4.753 10 10 JJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016281 LIPPXHXPUCTPPD-HXOBKFHXSA-N 496.567 4.553 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422572 DJRJKCNJBQPYFK-UHFFFAOYSA-N 461.537 4.852 10 10 JJCE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](N)c1ccc(N2CCCCC2)cc1 2106866683 XGRJUEWNJLQKCY-RUZDIDTESA-N 452.643 4.704 10 10 JJCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 2293987153 PFIVPWZDNNOSNO-UHFFFAOYSA-N 497.312 4.690 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2296711298 KNYSFJIGEBZJHR-UHFFFAOYSA-N 479.627 4.660 10 10 JJCE COc1cc(C=C2SC(=S)N(CC(=O)N3CCCCC3)C2=O)ccc1OC1CCCCC1 2314485846 DXSSUYKFRVEUAR-UHFFFAOYSA-N 474.648 4.620 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(Oc3ccccc3F)nc12 2314507866 LYJGANNWQPBJQZ-UHFFFAOYSA-N 469.563 4.792 10 10 JJCE Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1144518 IUXBWCXMJBZOPE-MTJSOVHGSA-N 450.882 4.749 10 10 JJCE Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 1778581 VNRIXIKDKVUORN-KQWNVCNZSA-N 474.542 4.956 10 10 JJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 20154771 VGDROKVHOGTHFJ-VFHVDCSJSA-N 496.614 4.710 10 10 JJCE Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C)n(-c2ccccc2F)c1C 45861231 UEQXORWNUMGYCL-UHFFFAOYSA-N 458.331 4.673 10 10 JJCE CCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 206458130 KFKBTDHSSOKNQZ-KGENOOAVSA-N 471.600 4.819 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526622848 PSMYGORCHFRABG-AREMUKBSSA-N 489.524 4.659 10 10 JJCE O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586692350 LPNPKOIPKOSVOR-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE CN(Cc1nc(O)c2ccccc2n1)[C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O 799383208 GPMISGOOGHWLTO-QFIPXVFZSA-N 466.501 4.515 10 10 JJCE C/C(=C\c1ccc(Br)o1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1456079232 XRJPAJNPMKXOTD-OUKQBFOZSA-N 455.299 4.832 10 10 JJCE CC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccc(Br)cn23)c(F)c1 1539361456 VWKXAKPAWATIEY-UHFFFAOYSA-N 453.271 4.753 10 10 JJCE C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCSc1nccs1 1690752624 MXVBLYRQWLWKLC-HTXNQAPBSA-N 482.679 4.693 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCOC(C)C)[C@@H](C)C1 1722780528 KDMOJIYJFQEHHH-QFIPXVFZSA-N 492.668 4.615 10 10 JJCE Cc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCOCC3)n2)c1 1859832717 ILOZOUKPEKWMDK-UHFFFAOYSA-N 476.536 4.808 10 10 JJCE Cc1ccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCN(C)CC3)n2)cc1 1859833030 YAQHTXVLBWOGSW-UHFFFAOYSA-N 489.579 4.723 10 10 JJCE CC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937611 AYNZKVYAQSWGHK-QLVXXPONSA-N 484.527 4.628 10 10 JJCE CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650136 DHPLYLLHMXDPCE-UHFFFAOYSA-N 490.995 4.692 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080054298 OIRRVYVEGCABKG-INIZCTEOSA-N 486.350 4.833 10 10 JJCE O=C(N[C@@H]1CC12CC(NCc1cc(Cl)cc(Br)c1O)C2)OCc1ccccc1 2086046151 CHGPZOMJYOXSHS-NCYVPVAZSA-N 465.775 4.745 10 10 JJCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2193313283 IEGWCQPZOLOGNJ-QCEMKRCNSA-N 463.775 4.776 10 10 JJCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2F)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2297298942 WISQVNLJXVJXRH-UHFFFAOYSA-N 482.899 4.863 10 10 JJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522262 AQMDZAXBEYFWQF-UHFFFAOYSA-N 479.583 4.506 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 2314837260 QEUCSSJNEVJPCF-LBPRGKRZSA-N 496.532 4.951 10 10 JJCE CC1CCN(C2=NN3C(=N)/C(=C\c4cccn4CCOc4ccc(Cl)cc4)C(=O)N=C3S2)CC1 32980987 HLVCXZPCURJBBE-BZYMUNDLSA-N 497.024 4.529 10 10 JJCE O=C(O)c1ccc(COc2ccc(/C=C3/SC(=S)N(Cc4cccnc4)C3=O)cc2)cc1 33313349 FYKRXTGGBIJWFX-CIAFOILYSA-N 462.552 4.760 10 10 JJCE CCOC(=O)c1c(C)oc2c1c([C@H](c1ccncc1)N1CCN(CC)CC1)c(O)c1ccccc12 33599777 LEINWMDUUXAIEA-VWLOTQADSA-N 473.573 4.899 10 10 JJCE CC(C)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C(=O)N=C2S1 96562734 ZOJLSRUPQQAXNZ-SPXSAIPKSA-N 472.530 4.873 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)cc1 105968674 RTZGAOIAESHHFW-UHFFFAOYSA-N 470.495 4.740 10 10 JJCE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 210683964 KGAGEFBAGVPHBT-PXLXIMEGSA-N 492.622 4.955 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526462191 BQDRHUQEHPVMIO-XMMPIXPASA-N 475.497 4.730 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC(c2nc(C3CCOCC3)no2)CC1 575313414 JYTNTFMXYGGAMI-UHFFFAOYSA-N 462.594 4.593 10 10 JJCE O=C(Cc1cccs1)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858897516 CNRQEIKWVBVZEV-UHFFFAOYSA-N 496.544 4.993 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2OC)sc(C)c1-c1ccc(F)cc1 1860746999 OKUMGJHBZYYVLN-UHFFFAOYSA-N 486.521 4.634 10 10 JJCE CCOC(=O)c1c(NC(=O)c2cc[nH]c(=N)c2)sc(C)c1-c1ccc(Br)cc1 1866098591 WQYXATZSELHFTM-UHFFFAOYSA-N 460.353 4.723 10 10 JJCE CCOC(=O)[C@H](C)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866267133 CCSZMDPOCOKLCN-LLVKDONJSA-N 468.369 4.664 10 10 JJCE C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867703390 MNCPBFGVTMEVJL-GAJHUEQPSA-N 491.463 4.521 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccccc3)CC2)cc1 1870351729 OAQNKQLZNLHMDY-UHFFFAOYSA-N 475.633 4.652 10 10 JJCE CCOCCCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870873616 NTIQRSWJRITHBT-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE CCN(CC)CCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167594 ORSOQPHULALVDN-UHFFFAOYSA-N 488.676 4.996 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(C3CCCC3)C2=O)cc1 1873168649 DGCUXAUMRJDJQY-UHFFFAOYSA-N 479.584 4.783 10 10 JJCE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163166458 YWITZXQXQCMXQK-QGZVFWFLSA-N 474.646 4.692 10 10 JJCE COc1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2296881509 LNYZAVBNNCEFGB-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1nc2ccccc2s1 2314913689 WTZBQYPQQMNGTN-UHFFFAOYSA-N 473.670 4.698 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 39859318 QAVDKULPBXHOIG-XDHOZWIPSA-N 466.496 4.888 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 47152154 XHMCIYMYOKNXQT-PDGQHHTCSA-N 455.561 4.732 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3CN3C(=O)c4ccccc4C3=O)cccc21 170556404 QHFLPSZKRAUAAY-MSOLQXFVSA-N 492.531 4.503 10 10 JJCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 208271863 IEMOSOFKPXZZFC-UDWIEESQSA-N 482.631 4.787 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526354369 XXXIPDRJAZGERK-NRFANRHFSA-N 451.862 4.595 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 1084281876 NJQUHSPXCSSCSO-ATVHPVEESA-N 496.947 4.898 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4Br)cc3)CC2)cc1 1872873499 YLLZDSBALFSMOU-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873164111 MPPDRRKNFLLAKG-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE Cc1c(O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc2c3c(c(=O)oc12)CCC3 1874017751 VCNFKEUKBWGPLF-MRXNPFEDSA-N 493.515 4.772 10 10 JJCE COc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(-n2cccc2)cc1OC 1874180050 XJFJTDUPHHKNHH-UHFFFAOYSA-N 452.466 4.522 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CC4CCCCC4)cc3)CC2)cc1 1874749152 FSKKNPUJJZSRKN-UHFFFAOYSA-N 463.622 4.999 10 10 JJCE O=C(O)C[C@@H](C(F)F)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952206632 NIJJJPOIJXHOPJ-IFMALSPDSA-N 497.494 4.904 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2c(O)cccc2O)C1 1952450999 NXLUNJOCPLGUON-ZHRRBRCNSA-N 459.498 4.885 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc(N)c2C1 2168786980 XVIKHXHLRYSGHO-FCHUYYIVSA-N 462.638 4.520 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 2297307136 AEYLYMLBTCWXDV-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OC(=O)c1cccs1 2297624952 MBIQDVYJZPRNFI-UHFFFAOYSA-N 476.510 4.870 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3cccc(Br)c3)cc2)SC1=S 2314769383 PHMOVQGFUSQCBV-UHFFFAOYSA-N 492.416 4.792 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc(=O)c4ccccc4c3-c3ccc(C)cc3)CC2)cc1 2939929 PHSAOENUVZKTDS-UHFFFAOYSA-N 454.526 4.739 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccco2)CC1 10913000 NWRFKBUOBCJSKE-AREMUKBSSA-N 454.526 4.896 10 10 JJCE O=C1/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 12940365 RLZITLWQQFOSOK-DYTRJAOYSA-N 490.654 4.519 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 14475844 MNDYFNIZAISWRY-YDIMBITNSA-N 469.563 4.548 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 14477942 PEDVDCUXMZMLMA-YZIHRLCOSA-N 475.570 4.942 10 10 JJCE O=C1/C(=C/c2ccccc2I)SC(=S)N1CNc1cccc(F)c1 59377148 ZWGDSHJRACACCZ-NVNXTCNLSA-N 470.332 4.701 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCCC(=O)O 210464869 XIHSDUXDMQRECB-ZHZULCJRSA-N 457.573 4.907 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@H]1c1ccc(N(C)C)cc1 526480687 NXCIOXGBJZHTOV-RUZDIDTESA-N 488.540 4.614 10 10 JJCE CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1cccc2c1C(=O)c1ccccc1C2=O 586186159 PFZYEKMBIUZIQG-UHFFFAOYSA-N 460.338 4.735 10 10 JJCE Cc1cc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(C)n1-c1ccccc1 746425271 HSOKYIUNELUTBE-UHFFFAOYSA-N 462.571 4.634 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860645649 CJJMUFDEBCDTSK-LJQANCHMSA-N 454.592 4.714 10 10 JJCE CCCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258812 MWBPSYWYJFSWLO-JOCHJYFZSA-N 478.420 4.639 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc(OC)c1OC 1865668275 OUPQKCFGPMQHRB-ZSOIEALJSA-N 485.256 4.823 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714714 TUGNFJURRCQHRT-SVEHJYQDSA-N 497.655 4.906 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4ccc(Br)cc4)c3)CC2)cc1 1872848817 WMSWLOWGRDAKKK-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424901 SSUHFRPVDXSWEK-KRWDZBQOSA-N 471.557 4.856 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(F)c(C)c4)cc3)CC2)cc1 1874739509 JQMHCFJKFQZMRG-UHFFFAOYSA-N 490.575 4.686 10 10 JJCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 2293582725 GNIBTSDJFUCTOY-UHFFFAOYSA-N 479.558 4.555 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCC3)nc12 2314413589 BQAATTAKBCZUNB-UHFFFAOYSA-N 494.617 4.534 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2314828448 USOIEXNCXJTAED-UHFFFAOYSA-N 482.505 4.650 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3c(Cl)nc4scc(C)n34)SC2=S)cc1 2323719127 OQJRLOXWOWOZFD-UHFFFAOYSA-N 466.009 4.646 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccccc3OC)C2=O)cc1 2993805 UHGSLJLPPAQLLN-HEHNFIMWSA-N 488.496 4.668 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCCC2)SC1=S 33812485 CXONQEBAPBYFDS-HKWRFOASSA-N 472.680 4.727 10 10 JJCE O=C(NN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S)c1ccccc1 34106919 FEXVFKWZRMJEDK-XLNRJJMWSA-N 476.579 4.691 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 34914604 VRBPAIBKBQPXLX-WUKNDPDISA-N 483.453 4.594 10 10 JJCE CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=S 59396251 LDPCUJORZHCVJP-SFQUDFHCSA-N 460.386 4.767 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3cccc(Br)c3)CC2)c(C)n1-c1ccc(F)cc1 62694556 OSHKXOLOGAFBKG-UHFFFAOYSA-N 498.396 4.636 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 210967538 HVNAYNIYIOOKTL-CPOQMQJTSA-N 457.573 4.901 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526391373 FQCIGDCAWKYKOQ-RUZDIDTESA-N 474.513 4.902 10 10 JJCE CC(C)=CCC/C(C)=C/COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 725239619 SCMMKUFWRJCKPM-YCBUVFMJSA-N 496.556 4.913 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1Cl 1084544719 IPYSFWIRSZFYSV-VBKFSLOCSA-N 453.926 4.718 10 10 JJCE O=C1/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCO 1858588335 ZNNNBWHWENEJDR-DEDYPNTBSA-N 458.992 4.567 10 10 JJCE CCOC(=O)c1c(NC(=O)CNC(=O)c2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1865989890 MKMGAMYOEILSJL-UHFFFAOYSA-N 456.951 4.922 10 10 JJCE CCN(CC)CCCN1C(=O)C(NCc2cccs2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164094 LNURYSWYOBMJFP-UHFFFAOYSA-N 490.673 4.757 10 10 JJCE CO[C@H](c1ccc2ccn(C)c2c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952325557 HHMMBKSKTFLUHE-CLJLJLNGSA-N 470.525 4.858 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 2293308508 RICMTCKNTOGDEQ-GFCCVEGCSA-N 463.964 4.602 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1 2293335503 PJPATWKEHKXWPH-UHFFFAOYSA-N 454.939 4.827 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S1 2293344049 WRLDHTQXGIWOFZ-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE O=C(C=Cc1ccccc1)Oc1ccc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296727495 IAZXIOZZUXOLNE-FQEVSTJZSA-N 451.569 4.686 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 2296881780 ZXUDWYRTTAQJKC-UHFFFAOYSA-N 462.980 4.587 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2297347619 OBYQFFYUNHHPHF-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3cccc(O[C@@H](C)C(=O)O)c3)SC2=S)cc1 2314930385 CGYRSGMKZRXYHP-HNNXBMFYSA-N 456.589 4.791 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 2318683341 CKKORIYBJHDGJI-WBKMXMRLSA-N 472.676 4.960 10 10 JJCE COc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)c1O 34756040 SDMPNRLEQBJTNU-UHFFFAOYSA-N 464.541 4.671 10 10 JJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 34877298 ULJKNQIIEFQBEH-GHVJWSGMSA-N 493.654 4.501 10 10 JJCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 35521188 JXZJILVOWTURSV-JCMHNJIXSA-N 492.670 4.830 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3cccc(Cl)c3)O4)CC2)cc1 95537000 QPTQGYSOJUDXRX-XYGWBWBKSA-N 489.959 4.683 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 206851925 WIUZGRWKQPVQEB-MOSHPQCFSA-N 457.573 4.649 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 208864452 FRTYABBVQGPJJW-CJLVFECKSA-N 489.582 4.541 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210751658 CMXZBTLNLCZCGD-HEHNFIMWSA-N 482.627 4.706 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)s1 211915903 XXLJPJRYMZMUPQ-SFQUDFHCSA-N 488.660 4.652 10 10 JJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(Oc3ccccc3F)nc12 213189150 XGLXXUIQUDRBKA-BOPFTXTBSA-N 455.536 4.544 10 10 JJCE CC(C)COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c1 526158874 UVFZUBWNQSUXLD-SANMLTNESA-N 489.524 4.961 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526353760 LGWBVNDFHNVUPQ-XMMPIXPASA-N 488.540 4.614 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 526499105 LTWBDPAGXNQXJJ-MHZLTWQESA-N 485.584 4.655 10 10 JJCE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2cc(Cl)cc(Br)c2O)C1 717046567 KAMABNZYCCHBON-GFCCVEGCSA-N 469.754 4.790 10 10 JJCE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1 1865893207 XLNGODDMNJMQFW-UHFFFAOYSA-N 476.554 4.833 10 10 JJCE CCOC(=O)c1c(NC(=O)CC[C@H]2CCC(=O)N2)sc(C)c1-c1ccc(Br)cc1 1866204378 YAPYPFCIQLHNOJ-OAHLLOKOSA-N 479.396 4.660 10 10 JJCE CCC[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867893724 UDNHWROBLRUWSM-SXOMAYOGSA-N 478.681 4.611 10 10 JJCE C[C@@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)(C)C)n2)CCO1 1868340617 GLHJXAGOPIDPRO-MRXNPFEDSA-N 456.546 4.518 10 10 JJCE CCOC(=O)c1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)c1 1871287687 UOTPZFFPJAYZLQ-CIAFOILYSA-N 498.626 4.738 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCCC3)nc12 2053497885 RTKMJOHTHRQKOR-QGZVFWFLSA-N 476.627 4.566 10 10 JJCE CCc1c(C(C)(C)C)nn(Cc2cccc(Br)c2O)c1I 2079717316 VHXFMXCGGLWTTE-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 2297295839 FHJSNWHGKXTGFY-UHFFFAOYSA-N 452.469 4.959 10 10 JJCE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1C 2297352236 SEFZSYRJRQXEEQ-UHFFFAOYSA-N 483.524 4.592 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC(C)C 2313548660 BKNKTOJOESNXNO-UHFFFAOYSA-N 487.350 4.528 10 10 JJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 2313560609 ZRUZDKCBRIXLRT-UHFFFAOYSA-N 478.892 4.664 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccccc1C(F)(F)F 2314827596 IFMDQCUXEYDACG-UHFFFAOYSA-N 481.477 4.844 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1O 14459679 HDFKNRIDOXPGAV-XLNZFTOWSA-N 454.592 4.792 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 39874914 DUYFVCBHCPJEEL-PDGQHHTCSA-N 469.613 4.843 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)c(O)c1 526480274 UEUAPTBFFFIVIV-RUZDIDTESA-N 489.524 4.976 10 10 JJCE COc1ccc(N2CCC(NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 726627162 HCOLCQCFYMGGSY-QHCPKHFHSA-N 492.447 4.932 10 10 JJCE C[C@@H]1CN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2F)C[C@@H](C)O1 727307611 QZVUVZMHGAWNAP-QZTJIDSGSA-N 482.625 4.582 10 10 JJCE CC(=O)c1c(C)cc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1C 1133235536 BCZDSYCDGPIHAM-XDHOZWIPSA-N 456.564 4.875 10 10 JJCE CC(=O)c1c(C)cc(OC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C 1537187820 INJIICACBOYDSB-UNOMPAQXSA-N 457.548 4.842 10 10 JJCE CCCOC(=O)[C@H](CC)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858849919 CKNISBNPOMIGFH-NRFANRHFSA-N 487.512 4.612 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2c(Cl)nc3scc(C)n23)SC1=S 1860083875 AXRGXFMSMFGDJZ-AWNIVKPZSA-N 450.954 4.980 10 10 JJCE Cc1noc(C)c1COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871012548 NDPJQNHYSZNDRW-UHFFFAOYSA-N 474.561 4.770 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1[N+](=O)[O-] 1873423894 KMERDOLHYIHBFI-UHFFFAOYSA-N 488.544 4.859 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(C)cc4)cc3)CC2)cc1 1874741273 DCLRITUUDFIUFW-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE O=C1N=C(N2CCOCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2053528017 GWVUDTDWAUOCIR-UHFFFAOYSA-N 456.527 4.588 10 10 JJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C[C@H]1CCCO1 2296710641 IIMIBDHAXBJHIW-QGZVFWFLSA-N 453.614 4.981 10 10 JJCE O=c1c2cc(I)ccc2nc(C=Cc2cccnc2)n1Cc1ccccc1 2296760866 JXCZQPIRZPSLHQ-UHFFFAOYSA-N 465.294 4.615 10 10 JJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2296849514 GPQKHFFINYUNFE-UHFFFAOYSA-N 479.583 4.639 10 10 JJCE CCc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296881435 HMFIIBUVYXTAEE-UHFFFAOYSA-N 486.615 4.505 10 10 JJCE COc1ccccc1C=C1N=C(c2ccc(OC)c(OC)c2)N(c2ccc(OC)c(OC)c2)C1=O 2297300010 GDJAKDJQFPLYQF-UHFFFAOYSA-N 474.513 4.564 10 10 JJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(CC)C2=O)CC1 2314647766 HHVLXNGOYQPUJZ-UHFFFAOYSA-N 469.632 4.544 10 10 JJCE CCN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3I)c2)SC1=S 6470600 UFMDUGCOCPGFQX-LFIBNONCSA-N 495.363 4.732 10 10 JJCE O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1C(F)(F)F 15050904 FNOAYGKKBUKBJS-AVIKPIRVSA-N 496.919 4.892 10 10 JJCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=S)o2)cc1 33568208 YPGXJSWANGPWEU-UNOMPAQXSA-N 456.570 4.631 10 10 JJCE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 1084559438 WOXGTFGGPHINFF-BOPFTXTBSA-N 495.329 4.676 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1533329863 SNKNEDYZPZWVDU-KRWDZBQOSA-N 456.489 4.873 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1 1857996852 KDYYPBJENNTDGQ-UHFFFAOYSA-N 479.917 4.772 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(C)c4)n(-c4ccccc4)n3)CC2)cc1 1862334982 VPWUBRWJMKDQMJ-UHFFFAOYSA-N 482.584 4.827 10 10 JJCE CSCC[C@@H](NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811060 CPJLUVRGRGUUHD-IKPXGLPCSA-N 498.604 4.742 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868696452 JLBYNGRSZWKVPE-AJTFRIOCSA-N 479.665 4.802 10 10 JJCE CC(C)OC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870911095 YENASQVJJMRHLA-UHFFFAOYSA-N 493.604 4.697 10 10 JJCE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873165572 PVUWWCQCALGKBC-UHFFFAOYSA-N 487.600 4.507 10 10 JJCE CCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169971 JSAOOJLCJWDKSL-UHFFFAOYSA-N 451.611 4.771 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CCCN(Cc2ccccc2)CC1 1881515606 LNLRODGYEGKZOA-MHZLTWQESA-N 452.643 4.531 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079855577 ORBSHRIVSCPVLO-AWEZNQCLSA-N 463.250 4.555 10 10 JJCE COc1ccc(Br)c(CNc2cc(F)ccc2I)c1O 2287316795 KUOFRIVCBUCDEK-UHFFFAOYSA-N 452.061 4.519 10 10 JJCE CN1C(=O)C(=Cc2ccccc2OCCOc2ccc(Br)cc2)SC1=S 2293648370 BFJIPDZYXIMAHI-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 2313510659 AKPNUTIPUKMKHV-UHFFFAOYSA-N 476.356 4.926 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560196 MKFHAXAQFJHWFS-UHFFFAOYSA-N 463.921 4.765 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(OC)c(OC)cc1C(=O)OC 2313681854 OWRIHZFZIBYTAI-UHFFFAOYSA-N 494.573 4.989 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C(F)(F)F)cc(Br)c1O 2332107163 VMBGEUFJPNWBAH-UHFFFAOYSA-N 455.230 4.820 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccn4C)nn3-c3ccc(Cl)cc3)CC2)cc1 16573116 JUGSBJGINHBBIZ-UHFFFAOYSA-N 475.980 4.502 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(Oc3ccccc3F)nc12 39835992 LYJGANNWQPBJQZ-WOJGMQOQSA-N 469.563 4.792 10 10 JJCE CCCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(N(C)C)cc1 54642561 CKZNSHDYSMBIJE-QFIPXVFZSA-N 463.607 4.879 10 10 JJCE COc1ccc(N(C)CN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 59377784 CNUPCHBDZJVMMY-BOPFTXTBSA-N 496.395 4.595 10 10 JJCE Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)c1 210737214 ZTNYJOYRGSEWMM-DEDYPNTBSA-N 456.589 4.807 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)c1 245298313 ZPXOTTBRQRSYEM-UGKGYDQZSA-N 452.308 4.801 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4cccs4)[C@@H]3c3ccc(N(C)C)cc3)cc2)CC1 526388138 MIZQSYVBZLBVLG-VWLOTQADSA-N 474.630 4.623 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526467068 ZFXNMACTSGJINM-DEOSSOPVSA-N 458.514 4.605 10 10 JJCE O=C(Nc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692709 LSSFYZLJFIVQHN-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 1084639701 YCIVZMNGGSSAOS-NHDPSOOVSA-N 491.931 4.729 10 10 JJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865031662 LOYYEVGXIQVXOS-JOCHJYFZSA-N 490.604 4.715 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866471220 MNHIITFPQYXMFQ-QFIPXVFZSA-N 497.039 4.522 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccc(C)c4)cc3)CC2)cc1 1874743876 QTXBILPFHDAQEQ-UHFFFAOYSA-N 458.558 4.618 10 10 JJCE CCOc1cccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952830624 YAHYPNNAIPALQA-AJTFRIOCSA-N 459.498 4.629 10 10 JJCE O=C1Nc2ccc(Br)cc2C1=Cc1nc2ccccc2c(=O)n1Cc1ccccc1 2039908432 SLHJDPBGYJAXIR-UHFFFAOYSA-N 458.315 4.700 10 10 JJCE CN[C@H](c1ccc(N2CCCCC2)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163156513 RDLZEMVXRKYKGK-CLJLJLNGSA-N 466.670 4.963 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1 2294094930 FCRFHXPEPNKGJB-UHFFFAOYSA-N 472.501 4.594 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 2296938659 JPCHMNOAZGXBQW-UHFFFAOYSA-N 471.557 4.610 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2297322069 QPXOTEOJRWRJHV-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 2314627552 IFAGRUCZMNKATM-HXUWFJFHSA-N 487.046 4.749 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1OC 2314769129 USSRVCXUWLNCQW-UHFFFAOYSA-N 456.589 4.729 10 10 JJCE COc1cc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC 3741996 PAIFMHIPEIFMQV-UHFFFAOYSA-N 487.512 4.645 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 9259615 FLOKXUKDTCBLNH-MOSHPQCFSA-N 468.937 4.722 10 10 JJCE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S 20290126 PDPIZYOSFXHVHX-PXNMLYILSA-N 497.823 4.951 10 10 JJCE Cc1c(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(Cl)nn1-c1ccccc1 33305065 UNACCRAEAXQVST-NONNEFQTSA-N 452.952 4.563 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCCC(C)C)c(OCC)c2)SC1=S 40938095 IAIHNNMOFCXTIJ-XMHGGMMESA-N 451.610 4.665 10 10 JJCE CN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(O)=NC1=S 59087085 VVDDXPBQUANMEK-LICLKQGHSA-N 454.349 4.549 10 10 JJCE CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)ccc21 65026868 VZKOJNAEQIMAJR-UHFFFAOYSA-N 469.585 4.624 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCC(C)C 103738191 XPLWZORFPQLGMS-LICLKQGHSA-N 462.424 4.777 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@@H]32)c1O 226712333 BTXSYNVSALDCOG-BVFVYWQFSA-N 474.582 4.979 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526143231 VZLDFVMKMCTPNL-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc(Br)ccc2Br)c2nccn2C)cc1 1865858345 XTDDOKVJAAFRDO-GOSISDBHSA-N 492.215 4.531 10 10 JJCE CC(C)c1ccc2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866422239 HOVHPSQLEHRUSH-AREMUKBSSA-N 460.622 4.675 10 10 JJCE COc1ccc(Br)c(CN[C@H](C)c2csc(NC(=O)OC(C)(C)C)n2)c1O 2236053918 BSHMMUVQJAPZBL-SNVBAGLBSA-N 458.378 4.818 10 10 JJCE Cc1ccc(OCCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 2293128249 MZTODITWPAMGAP-UHFFFAOYSA-N 474.488 4.648 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(=O)c1cccs1 2297353978 RTVCEKFIXQRTIX-UHFFFAOYSA-N 482.945 4.789 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 2314487256 OYUBDMJCBHSUOB-UHFFFAOYSA-N 482.505 4.563 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314767470 HBJXBGJSXFZHTR-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356493 QOKXAAHYFFBFNY-PQYAFMCBSA-N 484.379 4.772 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(Cl)c3O)C(O)=NC2=S)cc1 38160242 OOTOZDHTRZGYDX-ZSOIEALJSA-N 481.755 4.878 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccccc1 62694274 UYZMVOCQIFYATB-UHFFFAOYSA-N 459.634 4.637 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526431472 DHGSBNJMZAUZFZ-NRFANRHFSA-N 468.303 4.926 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1 1084396438 DCXXTWQNLLJYJO-DEDYPNTBSA-N 495.329 4.947 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)N2CCCCC2)cc1 1866144859 BPEDDAGWOFRWKJ-JWQCQUIFSA-N 455.046 4.718 10 10 JJCE COc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1952794784 QGXPCHIEYQSXDR-RCZVLFRGSA-N 459.498 4.798 10 10 JJCE CC1(C)CN(Cc2ccccc2)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2150464768 MSLDTMLMLWDCJO-UHFFFAOYSA-N 464.654 4.910 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)ccc4C)c(OC)c3)C(=O)N=C2S1 2297310327 AHIJKGUWSVEOMJ-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 2297341102 WGFTYOOPKNGDKX-UHFFFAOYSA-N 496.614 4.791 10 10 JJCE O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc(I)c1 3087109 BBDBTNSHIWRRSO-DHDCSXOGSA-N 452.342 4.562 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CNCc2ccc(F)cc2)c2ccccc12 13573294 WATPQMAWQGUGBL-ALUKBCMLSA-N 482.559 4.737 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc4ccccc4c2)N3)CC1 14475244 IZPQJUAHBMZNOS-DPZBCOQUSA-N 459.615 4.602 10 10 JJCE Cc1ccc2c(c1)c(/C=C1/C(=N)N3C=CSC3=NC1=O)c(C)n2Cc1ccc2c(c1)OCO2 20037490 HWRGWBDEMCWWEG-LWSWPZBTSA-N 456.527 4.812 10 10 JJCE COC(=O)c1ccccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)o1 33424353 SNGBLMGXPNGCFG-OAHXEOETSA-N 470.510 4.709 10 10 JJCE O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O)Nc1ccccc1 54201711 LZWNSYDDUHGYDI-GGAORHGYSA-N 470.554 4.570 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)COc2cccc(C=O)c2)cc1 72413187 VGJFGQSRRAGQKI-VWLOTQADSA-N 461.949 4.975 10 10 JJCE COc1ccc(N2CCN(Cn3nc(CSc4nc5ccccc5s4)n(C)c3=S)CC2)cc1 104752763 ARJCFWWNCJFQBW-UHFFFAOYSA-N 498.703 4.641 10 10 JJCE COc1ccc(N2CCC(NC(=O)Nc3ncc(Cc4cccc(OC)c4)s3)CC2)cc1 726609192 NTHLHUPKKUBGCD-UHFFFAOYSA-N 452.580 4.542 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 1084223495 CPDWBVHRPGMMGI-RVDMUPIBSA-N 471.307 4.680 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1O 1654569035 AFRAOKXQXCINHJ-QPPBQGQZSA-N 455.913 4.928 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(F)cc1 1860759542 VMEFDPOGCYUODX-UJNZZBMASA-N 472.582 4.919 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2Cl)sc(C)c1-c1ccccc1 1860760260 XYHXMDKWPBXCQM-UHFFFAOYSA-N 456.951 4.809 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@H]3C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170426 ZLKATTSFHQMHAU-CLOONOSVSA-N 468.601 4.938 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)cc3)n4CC(C)C)CC2)cc1 1873650025 IJJCXINMHGXUCF-UHFFFAOYSA-N 498.631 4.983 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1cccc(Cl)c1Cl 2293752374 AQZZRPRZYMECOA-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296943277 YSKNQISURFEAKJ-UHFFFAOYSA-N 485.971 4.607 10 10 JJCE N=C1C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N=C2SC=CN12 2297314561 KJNQPDBAFYGIOZ-UHFFFAOYSA-N 458.312 4.944 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl 2297335745 ITBFMQOGXLBAKN-UHFFFAOYSA-N 459.207 4.687 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 2297366256 HRWOALQVMFSWRU-UHFFFAOYSA-N 454.407 4.748 10 10 JJCE O=C1C(=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Nc1nc2ccccc2s1 2314486530 DITAQRLPNSPEKF-UHFFFAOYSA-N 480.556 4.823 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)c3cccs3)c3ccccc23)SC1=S 2326954678 UVPWAVPEQDAEBF-UHFFFAOYSA-N 470.597 4.652 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2 20696549 MUXJFEALUSDAHB-JFNLIGNMSA-N 469.379 4.890 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(Br)c1OC 83312652 FKHBPIKBLYMYAC-NTUHNPAUSA-N 465.687 4.626 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1cccs1 103564799 IZNLQOKOGJZVPL-YLKBQPAQSA-N 468.560 4.641 10 10 JJCE CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858592022 GKOYTPGYEDTHCX-GGQLTLKSSA-N 464.790 4.653 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2cc(Br)ccc2o1 1859707681 YURHGYIAXBZQRE-UHFFFAOYSA-N 474.266 4.583 10 10 JJCE CCN(Cc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347190 AWZOVSNRWMVPLD-LJAQVGFWSA-N 478.596 4.837 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)NCc2ccccc2F)sc(C)c1-c1ccc(C)c(C)c1 1860760985 LHEXTKUOGDECDV-UHFFFAOYSA-N 454.523 4.521 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017657 QYDGCUDPZAMUBN-QHCPKHFHSA-N 490.604 4.545 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1873169533 OTWWNRNIYQINOW-NLFFAJNJSA-N 476.665 4.684 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079138129 GLRDFCQZRCSTOL-MRXNPFEDSA-N 456.324 4.959 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2079971730 LGRAWPDMUFHWNP-CYBMUJFWSA-N 456.324 4.720 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](C)c2cc(C)c(C)cc2O)c1I 2080002605 ZYKOHLRIYUOKAD-CYBMUJFWSA-N 468.335 4.648 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294095524 VKIYARWMKJEVTH-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2296704203 WCMWSUOCBJFKEN-MRXNPFEDSA-N 495.651 4.534 10 10 JJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712300 VJDYGXRCFJBDFV-UHFFFAOYSA-N 486.018 4.697 10 10 JJCE O=C1C(=CC=C2SC(=S)N(Cc3ccccc3)C2=O)SC(=S)N1Cc1ccccc1 2297315009 UUROCNIJGRUBIA-UHFFFAOYSA-N 468.650 4.875 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1 2297556106 AFEFOSUAKFRJCB-UHFFFAOYSA-N 496.542 4.977 10 10 JJCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC1=S 2314488215 MLSOIHBGAKIFQI-UHFFFAOYSA-N 492.626 4.603 10 10 JJCE CCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2314506431 CQGNVMFCPVJILR-UHFFFAOYSA-N 455.536 4.546 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314767037 CTJDVCRYDUIONP-QGZVFWFLSA-N 478.389 4.660 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 2321591356 MXANUJDTNLKXJY-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C)cc4)n(-c4ccccc4)n3)CC2)cc1 2331394542 SDJOMMCVOWYWIH-UHFFFAOYSA-N 494.599 4.563 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 33918703 QNIMOXKQQIVMLF-XMHGGMMESA-N 488.679 4.621 10 10 JJCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 39990014 AFUUJTPVNQEACN-HMAPJEAMSA-N 492.670 4.748 10 10 JJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc2ccccc12 210894911 YZSGIEMAQQJPET-FYJGNVAPSA-N 464.568 4.745 10 10 JJCE CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 1084251885 RSRKRYSSDMSEKX-ATVHPVEESA-N 451.822 4.517 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)CC1 1459050853 MKYGFBYLTKUYJN-UHFFFAOYSA-N 451.617 4.961 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCCOC)C[C@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 1614472790 JDSTWRDZSUZODG-RDGATRHJSA-N 470.654 4.944 10 10 JJCE CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858592539 RVCNNHISEDTMPB-NNIWKIFQSA-N 457.573 4.729 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)cn2)sc(C)c1-c1ccc(C)c(C)c1 1860749076 UWVWEZAETRHZGA-UHFFFAOYSA-N 457.939 4.753 10 10 JJCE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865768216 NFCMSHFOCQIVRG-UHFFFAOYSA-N 476.645 4.904 10 10 JJCE CCC[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867893721 UDNHWROBLRUWSM-KAYWLYCHSA-N 478.681 4.611 10 10 JJCE CCN(CC)CCCCN1C(=O)C(NCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166956 MOJOSWNIDUXVFU-UHFFFAOYSA-N 464.654 4.542 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(C3CCCCCC3)C2=O)cc1 1873167384 DZYVQVKELHLVED-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168248 OGLCICCZAYDUBJ-HSZRJFAPSA-N 484.644 4.867 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[C@@H]21 1873895685 GWOSFPFQJPEISW-MUUNZHRXSA-N 494.551 4.546 10 10 JJCE CN(C)c1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1F 1952790421 YOXRDOXUPYKNAL-WXVAWEFUSA-N 460.505 4.730 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2cccc(OC)c2OC)cc1 2313683687 RLUJHPVLJOOWBK-UHFFFAOYSA-N 461.493 4.989 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2314414216 SOCQNKUMFRKKTL-UHFFFAOYSA-N 478.643 4.925 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 2314414837 NYQORQMOQRNYBW-MRXNPFEDSA-N 458.653 4.852 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S)Nc1ccc(O)cc1 2314828731 WSVIRGWSXQFABD-UHFFFAOYSA-N 453.372 4.929 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314831908 VMVGTYNSINOLMZ-UHFFFAOYSA-N 498.626 4.831 10 10 JJCE Cc1ccccc1NC(=O)[C@H](C)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836209 BMEHXZPXNJUQNL-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE CC(=O)c1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331594972 XELXEFMKPYDEGU-UHFFFAOYSA-N 468.600 4.764 10 10 JJCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(C)cc2O)cc1 8587534 CSYQWDOCPFBEFT-XMMPIXPASA-N 478.552 4.532 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14470936 NDMAIPWWWKFWPN-TXXWUTRGSA-N 453.926 4.984 10 10 JJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 15045952 PCTLPQDTZULFKU-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4C)n3C)c2C)cc1 21120720 CTNQKIKEBNDOSH-UHFFFAOYSA-N 474.586 4.960 10 10 JJCE COc1cc(Br)c(Br)c(/C=C2/SC(c3ccccc3)=NC2=O)c1O 33290988 YBEGTIQWWOMMRS-NTUHNPAUSA-N 469.154 4.987 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)SC1=S 210501757 YLNUUCVOWJOECM-NBVRZTHBSA-N 465.593 4.557 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526620351 YLIXQLFWLQORFS-QFIPXVFZSA-N 473.403 4.590 10 10 JJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860345257 XRQHIDBGFHIYEI-NDEPHWFRSA-N 480.568 4.826 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1Cc1cccc(Cl)c1 1862313253 PSIIEXXCROPYMQ-UHFFFAOYSA-N 467.013 4.898 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)CCc2cccc(Br)c2)N2CCCCC2)cc1 1866123986 NYQCWZWXZNXZCL-HSZRJFAPSA-N 458.444 4.791 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867660758 MPXNAZYPIFXUFY-MHZLTWQESA-N 486.660 4.758 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873164523 GEZNLFBPMQTJKL-UHFFFAOYSA-N 467.573 4.640 10 10 JJCE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Cc2ccc(O)c(O)c2)(C(=O)O)CC1 1952074799 LLYHUNDZIDFHRZ-UHFFFAOYSA-N 473.525 4.756 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(C=O)c2I)cc1C 2079979128 LMJFUPBLDDHZMK-LJQANCHMSA-N 450.320 4.890 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2293308507 RDYPDWLPBWNRRG-LBPRGKRZSA-N 463.964 4.602 10 10 JJCE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)cc1 2293818086 XMFIEJPNIHDSFR-UHFFFAOYSA-N 491.588 4.846 10 10 JJCE CN(C1=NC(=O)C(=Cc2ccc(-c3ccc([S@](=N)(=O)O)cc3)o2)S1)c1ccc(O)cc1 2314482385 JUJUXQLXTFMJLH-UHFFFAOYSA-N 455.517 4.638 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nc2ccc(Cl)cc2s1 2314563109 APPSQMKMQFCNTD-UHFFFAOYSA-N 452.007 4.851 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 14476973 WUSBHBODZKWDSQ-DMPWYTOCSA-N 465.402 4.841 10 10 JJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)c(OC)c2)SC1=S 33431397 YUVBGQVMZNJTGZ-IYIAEQPYSA-N 499.610 4.560 10 10 JJCE COc1cccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c1O 34683952 AONICOPZXINUGD-UHFFFAOYSA-N 466.603 4.569 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1nccs1 35520069 PDPVLGABRNTIAS-PDGQHHTCSA-N 489.644 4.703 10 10 JJCE COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 37242924 BMMKMPWNYNLITI-PFBJBMPXSA-N 479.532 4.726 10 10 JJCE biogenic COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 95535989 VLLJADUTEVNBEK-GZTJUZNOSA-N 457.269 4.501 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 210168918 QAVDKULPBXHOIG-UNOMPAQXSA-N 466.496 4.888 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2cccc(OCCC(=O)O)c2)SC1=S 210501796 VDNYDBQQZVVGMV-KNTRCKAVSA-N 479.620 4.947 10 10 JJCE C[C@H]1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C1 586712775 MIALOAXGOWZAQQ-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OCC 1083974530 FZNNEOHRDMHNKW-WJDWOHSUSA-N 487.350 4.530 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F 1084107959 VDFFELYSJYEADH-AQTBWJFISA-N 494.519 4.774 10 10 JJCE CCCc1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)cc2[nH]1 1860831772 SRFXPHRZPMPMNF-UHFFFAOYSA-N 455.562 4.764 10 10 JJCE CCCCCCOc1ccc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862135643 MSBXODCKLRUCAB-UHFFFAOYSA-N 481.637 4.512 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)cc(Br)c1O 1865667265 NPNZIMKSNDMTMC-ATVHPVEESA-N 464.319 4.783 10 10 JJCE COCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871193972 VIWNGBYQVWGHIY-UHFFFAOYSA-N 498.583 4.868 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC(C)C)C1=O 1873165566 PMMQICFNOPCADT-UHFFFAOYSA-N 457.574 4.628 10 10 JJCE CC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873420167 HVAQBUXAXOZJMP-UHFFFAOYSA-N 485.584 4.914 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426325 ZLGWDMXSJYYWRJ-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)c(O)c2O)C1 1952527088 ATZDZLJTBANPGO-NYHFZMIOSA-N 475.497 4.590 10 10 JJCE O=C(N[C@]1(c2cccc(Br)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952815890 OLQXTFPEMDYNEP-NLFFAJNJSA-N 494.341 4.993 10 10 JJCE COCCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 2042449628 VSRPYEVMNIFSSX-UHFFFAOYSA-N 461.634 4.682 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C(F)(F)C1 2264433929 IZNJZFSXRQIMSB-ZDUSSCGKSA-N 455.727 4.542 10 10 JJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2294229295 HNBWFUNMYNCGCR-UHFFFAOYSA-N 486.778 4.725 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348038 AKCBIRUIAJESFY-UHFFFAOYSA-N 453.480 4.529 10 10 JJCE CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 2313547957 HHZAKKPUMQPRQB-UHFFFAOYSA-N 457.324 4.521 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1 2313574225 ATTXOWDRBVJOKC-UHFFFAOYSA-N 496.928 4.528 10 10 JJCE O=C(C=Cc1ccc(F)cc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 2320950970 BJWSFJQSPQYLDR-UHFFFAOYSA-N 491.478 4.900 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1OC 1476907 BOCQJGIBWYVJBZ-QQHUYRGFSA-N 453.585 4.855 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479304 WANPMVLYQNMZSE-ZYLNGJIFSA-N 454.592 4.705 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C 20662769 HYKFOFWCPWIGEQ-GVMLUORFSA-N 491.569 4.779 10 10 JJCE CCCCOc1ccc(Nc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40611153 COLIGZOVWAJMSK-UHFFFAOYSA-N 478.553 4.643 10 10 JJCE CC(C)C1=NN2C(=N)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)N=C2S1 101799438 WYGFSKQHFMJYTH-PRZRADHTSA-N 480.462 4.570 10 10 JJCE CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)sc(C)c1C 103040759 LIYBBWNUROIYNY-OQLLNIDSSA-N 478.592 4.521 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 251392547 WWSSEASKGPPCOT-LGIZFMHMSA-N 472.607 4.616 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526218968 REUHQKPFCCRRCT-XMMPIXPASA-N 460.530 4.836 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526393258 FZCNKFXBXWBIEN-VWLOTQADSA-N 457.530 4.777 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(CCF)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243754 UFGNKXLLCMOLFR-UHFFFAOYSA-N 478.328 4.934 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 1865668474 ZLINIQXPRRPPHS-GHXNOFRVSA-N 472.822 4.849 10 10 JJCE CC[C@@](C)(NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866617563 WTBDKOZEJQUNNJ-SSEXGKCCSA-N 491.547 4.790 10 10 JJCE CC[C@](C)(NC(=O)/C(C)=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811295 HIBPIYUVPNJRAS-QVNLTAIFSA-N 466.537 4.789 10 10 JJCE CCOCCCN1C(=O)C(NCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164616 JVDXAVUKEQAMQF-UHFFFAOYSA-N 475.564 4.530 10 10 JJCE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873423403 CRQOHSSWSJTHRS-UHFFFAOYSA-N 470.573 4.901 10 10 JJCE Cc1cccc(O)c1CNc1cc(I)cc(I)c1 1963064280 QSCBLZIMEATQDH-UHFFFAOYSA-N 465.072 4.522 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1Br 2079857478 AVFQYVDOQORYNP-AWEZNQCLSA-N 463.250 4.555 10 10 JJCE CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163167170 KNARNGCLHZFONT-GOSISDBHSA-N 474.646 4.693 10 10 JJCE CC1=NN2C(=N)C(=Cc3cn(CCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1 2293188343 SZIJAQIGCWOMOU-UHFFFAOYSA-N 457.559 4.976 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 2296885343 PYGXELXIRWJMQX-UHFFFAOYSA-N 473.982 4.521 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccccc3F)nc12 2297455645 IPXQMPCOMUFGMP-UHFFFAOYSA-N 493.541 4.929 10 10 JJCE COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C=C3SC(=S)N(Cc4ccccc4)C3=O)o2)c1 2297577617 FLNFFSZLJHOYJV-UHFFFAOYSA-N 493.562 4.921 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C)o3)C2=O)c1 2313548703 CKAJHMPTPLVZOO-UHFFFAOYSA-N 465.303 4.992 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C1(NC(=O)OC(C)(C)C)CCCCC1 2367002680 QSURDWZPZQYKQW-OAQYLSRUSA-N 476.662 4.702 10 10 JJCE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 18747011 CCEGVVUPIKPULM-XMMPIXPASA-N 486.524 4.513 10 10 JJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1c(C)cccc1C 20154767 COFSXYBIEMNLNI-VFHVDCSJSA-N 496.614 4.710 10 10 JJCE CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 40940457 BPCVGIXZCGZSOJ-BOPFTXTBSA-N 477.405 4.783 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 103704142 RTZTWSFTEXPWJS-GBEVANGZSA-N 463.559 4.937 10 10 JJCE Cc1cc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)n1-c1ccc(Br)cc1 109799046 GSSGWRURHNKEFV-QGZVFWFLSA-N 474.443 4.870 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526309834 VNGYPNHNMKOARL-OAQYLSRUSA-N 453.878 4.826 10 10 JJCE BrC1=CCCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)C1 1587550881 UVBLSZBPPISGJU-OAHLLOKOSA-N 470.462 4.648 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)sc(C)c1-c1ccc(C)cc1 1860628345 HKRPCSQBMNSQLQ-UHFFFAOYSA-N 477.586 4.704 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC1=S 1860826579 IKJPEKNRBAMXCZ-UDWIEESQSA-N 454.548 4.895 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3CCC(C)C)CC2)cc1 1870344211 QMOLMZFYGJEJAK-UHFFFAOYSA-N 493.623 4.943 10 10 JJCE CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870380503 KKRVDZOALIXNBV-UHFFFAOYSA-N 475.633 4.703 10 10 JJCE CC(C)NC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946339 CEVKWOAYVORWCF-UHFFFAOYSA-N 497.599 4.551 10 10 JJCE CC(C)CCOC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871031949 KASJYHPOBKYIQE-UHFFFAOYSA-N 493.604 4.555 10 10 JJCE CC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287202 JVDMORUGNCYRRL-CIAFOILYSA-N 468.600 4.764 10 10 JJCE CCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871516844 KVHRUCPIKKXXOG-UHFFFAOYSA-N 479.604 4.504 10 10 JJCE Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 1892125497 ZTMRYTOSWMVFRO-OIFPXGRLSA-N 479.624 4.867 10 10 JJCE Cc1cc(C(=O)O)c(C)n1-c1cc(Br)c(I)c(Br)c1 2095437919 QMRQVXFWJQMSCP-UHFFFAOYSA-N 498.940 4.922 10 10 JJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163126686 KWSDLWJSDBIYHL-NAKRPHOHSA-N 466.670 4.963 10 10 JJCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2296063155 VXJMXTXDLFOWTJ-UHFFFAOYSA-N 453.527 4.636 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 2296732991 JKRXKNDKLPFIMZ-UHFFFAOYSA-N 494.573 4.581 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314766753 BUGXGXQNINYJJA-SFHVURJKSA-N 492.416 4.963 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314831096 CMXZBTLNLCZCGD-UHFFFAOYSA-N 482.627 4.706 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O 14456953 OTMRBJRGZHHTKU-XXAUWVGASA-N 476.598 4.748 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 14471859 BQKVEJUXVDZPDL-HWBMXIPRSA-N 461.543 4.900 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15046539 WSIKDZBACWQTNF-FFCYNSPCSA-N 452.479 4.639 10 10 JJCE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 33316939 HIRWXMSOVIXJBQ-HMAPJEAMSA-N 474.444 4.698 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 39983403 BKHNPDFWAWVSDE-YWMAMYRUSA-N 495.464 4.736 10 10 JJCE COc1ccc(-c2coc3c(CN4CCN(c5ccccc5F)CC4)c(O)ccc3c2=O)cc1OC 41585509 SHUHQQZNBHBJHD-UHFFFAOYSA-N 490.531 4.644 10 10 JJCE biogenic O=C1[C@H]2[C@H](C(=O)N1C1CCCCCC1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 105493140 MAFIFNZXNFKZMS-BDTNDASRSA-N 477.944 4.553 10 10 JJCE CC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586295708 WTGGOITZGIAWOM-UHFFFAOYSA-N 461.539 4.501 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnc(C(C)(C)C)s1 1705547864 UMZJSDKPJFBHOF-UHFFFAOYSA-N 459.623 4.619 10 10 JJCE O=C1c2ccccc2C(=O)c2c(Nc3ncnc4c3cnn4-c3cccc(Cl)c3)cccc21 1859832649 DRDQRCUXWKWMIU-UHFFFAOYSA-N 451.873 4.988 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)sc(C)c1-c1ccccc1 1865877072 SLQFOZFETWDVIA-UHFFFAOYSA-N 462.527 4.767 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 1866024542 REBANSUICSKGCL-UHFFFAOYSA-N 470.503 4.996 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1869132017 QEGOWOUNKYFNEA-HXUWFJFHSA-N 473.621 4.713 10 10 JJCE COC(=O)COc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874208 RWCZFDUIQZUSHK-UHFFFAOYSA-N 485.540 4.510 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419473 GYNGXXMQNQCUKB-OAQYLSRUSA-N 459.521 4.604 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1csc(=NCc2ccccc2Cl)[nH]1 1874179318 XZFAXJZKKYAJFF-UHFFFAOYSA-N 473.941 4.858 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079956352 FJPPLTLWSVODIF-SFHVURJKSA-N 470.351 4.966 10 10 JJCE COc1ccc(Br)c(CN[C@@H](C)c2csc(NC(=O)OC(C)(C)C)n2)c1O 2236053917 BSHMMUVQJAPZBL-JTQLQIEISA-N 458.378 4.818 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2293039517 HSIVKMXEXJHVID-UHFFFAOYSA-N 484.599 4.794 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C(C)=CSC3=NC2=O)cc1Cl 2297314529 ACCYVQBQIYKXPQ-UHFFFAOYSA-N 469.950 4.973 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3ccc(O)c(I)c3)SC2=S)cc1 2297534601 ADKMKQYCJVGARK-UHFFFAOYSA-N 467.353 4.707 10 10 JJCE CCCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCCC)c(OCC)c2)SC1=S 2314761648 VZZDXHPQDLZVCP-UHFFFAOYSA-N 451.610 4.809 10 10 JJCE Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)CC1 1074029 XDMKXRLDQHDNSU-KQWNVCNZSA-N 474.542 4.956 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(O)=NC2=S)cc1 33409492 GIACQRBDTVFRBU-UYRXBGFRSA-N 462.483 4.715 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC[C@H](C)C2)SC1=S 33812046 JAQGLJVHOTYRDE-SMEDBKPVSA-N 472.680 4.583 10 10 JJCE COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 38203866 ZMFVEAVWXUMJQJ-STZFKDTASA-N 475.482 4.905 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c(C(=O)O)c1OC 210401942 OCQNGDOZMBMKMD-PDGQHHTCSA-N 451.525 4.961 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526515148 IGEIDUWMEPHNIM-RUZDIDTESA-N 489.524 4.976 10 10 JJCE CCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867373721 QTFZBZPNPQKXFJ-RPBOFIJWSA-N 485.072 4.648 10 10 JJCE CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871606313 RAHJLPJQQOGUPZ-UHFFFAOYSA-N 496.619 4.548 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(C3CC3)C2=O)cc1 1873162045 DEHOVWUMQYDACE-UHFFFAOYSA-N 478.596 4.660 10 10 JJCE Cc1ccc(CN2C(=O)C(NCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165623 SEQATJUNCNXAAJ-UHFFFAOYSA-N 471.601 4.697 10 10 JJCE COCCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420728 UHQAUMZQXDJCBY-UHFFFAOYSA-N 465.500 4.601 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424407 FFNUXKGOZGQRQE-UHFFFAOYSA-N 499.659 4.694 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079060950 PRCBXPVCVFHQSD-AWEZNQCLSA-N 450.267 4.567 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc(C(=O)O)cc1 2314831744 RAVJPNXNBIUJRT-UHFFFAOYSA-N 472.563 4.924 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCCC(=O)O 2314931508 GMGGLHFFWVZNND-UHFFFAOYSA-N 467.927 4.747 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OCC 2323880141 VZXXYYYBVLJXDP-HXUWFJFHSA-N 486.659 4.997 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(Br)cc(OC)c3O)SC2=S)cc1 6645210 DPXBWTDGMLJTOO-OVCLIPMQSA-N 452.351 4.578 10 10 JJCE C[C@@H](NC(=O)CCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15040858 PMAWPSWLZKPHJG-XWCAUFEOSA-N 478.595 4.564 10 10 JJCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 33478549 WEBXRIWISHHBQC-YBVABLQOSA-N 487.928 4.622 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33723715 SSFWJMKOIOKNBW-QGUZNHKUSA-N 456.637 4.685 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Cl)cc3Cl)c3ccco3)CC2)cc1 38606514 IMLIXZWQNUJKLB-JOCHJYFZSA-N 474.388 4.888 10 10 JJCE Cc1ccc(C)c(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 103565209 BQNMZJOCCURQFC-AHMVSGTESA-N 488.491 4.943 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C(=O)O)c1OC 210401058 DBVSTHDHBUVERS-ZSOIEALJSA-N 469.462 4.827 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526141973 VZSMNTKLFCPGGH-JOCHJYFZSA-N 471.868 4.965 10 10 JJCE C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)C1 586712776 MIALOAXGOWZAQQ-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)c1 1084170485 QOONLDCUQJLLFR-ZHZULCJRSA-N 450.878 4.628 10 10 JJCE Cc1noc(C)c1COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858859044 KXSZRKIKIYQUSW-UHFFFAOYSA-N 468.469 4.685 10 10 JJCE CCN(CC)c1ccc(/C=c2\sc3nc([C@H](C)Oc4ccc(Cl)cc4Cl)nn3c2=O)cc1 1860794144 QYNWWZLRLLBGSC-GQFJFNLSSA-N 489.428 4.992 10 10 JJCE COC(=O)c1ccc(Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860827403 WUHJQEYRTXFUBF-FYJGNVAPSA-N 494.594 4.542 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCCc5ccccc5)[nH]c4c3)CC2)cc1 1872825472 ZREFPVRUGKVPDC-UHFFFAOYSA-N 472.614 4.869 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164615 JSESHACLHNJHLQ-UHFFFAOYSA-N 489.591 4.918 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C3CCCCCC3)C2=O)cc1 1873167899 CDPBYBNOTFWWAX-UHFFFAOYSA-N 485.632 4.773 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CC(C)C)C2=O)cc1 1873168898 OUEUVYCRRXLXSE-UHFFFAOYSA-N 495.627 4.929 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425963 LFEPYVNZAYALGF-UHFFFAOYSA-N 465.557 4.560 10 10 JJCE CCCN[C@@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163141751 XXAZPNPSJHRPLX-AHWVRZQESA-N 466.670 4.745 10 10 JJCE COc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2296881781 ZYZKGCYIFYJMPC-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 2297347514 DBNWTYGMJUBOOX-UHFFFAOYSA-N 481.936 4.874 10 10 JJCE COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 2313547977 HVGACOQBOISRHN-UHFFFAOYSA-N 486.568 4.838 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(c2ccccc2)C1=O 2313560485 VFXKAFIIRTZCGH-UHFFFAOYSA-N 451.822 4.517 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 2314509692 WYMHIKXBOARAJX-UHFFFAOYSA-N 495.626 4.731 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1cccc(C)c1 2314769848 WDYPKHSKEUKAJS-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c1 6886545 MUTIBWFPSLEPER-CIAFOILYSA-N 476.510 4.937 10 10 JJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15045991 YYTCRIKLJMBLDO-HJPCULJESA-N 477.405 4.692 10 10 JJCE COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 100276389 KOKQNGYVBVWTEJ-JJIBRWJFSA-N 480.605 4.520 10 10 JJCE CN1C(=O)/C(=C\c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 102855956 STOQSPIPXQUGHR-LRFDDAOPSA-N 491.805 4.616 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526289588 LVEDDPMWKSRVQA-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 526508790 AKKHTPGOOIOCPV-VWLOTQADSA-N 474.513 4.821 10 10 JJCE Cc1cc(CCNC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(C)n1-c1ccccc1 730670854 UZGCWAYKNTWUTB-HXUWFJFHSA-N 478.612 4.797 10 10 JJCE CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 857707059 GBBSGWXAUUAGJC-QGZVFWFLSA-N 467.953 4.819 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc2c1CC[C@@H](C)C2 1865928285 ZRHMHROGHYHISW-SOLBZPMBSA-N 454.592 4.598 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)sc(C)c1-c1ccccc1 1866419825 OEXZHJCVQVQEQI-UHFFFAOYSA-N 454.454 4.882 10 10 JJCE C[C@@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCN2C 1927484872 NTMQBRDEXWOCNF-WGDIFIGCSA-N 456.542 4.979 10 10 JJCE Cc1ccnc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1 2294143846 NLIHRIWXSWARHC-UHFFFAOYSA-N 464.522 4.612 10 10 JJCE Cc1ccc(-c2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)o2)cc1Cl 2296063115 BBDLLRHHZMAAJF-UHFFFAOYSA-N 495.992 4.930 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1 2296730194 FNNBILABLKSZJQ-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOCCOc1ccc(C)cc1 2297306614 CIKQRRAOOQZERM-UHFFFAOYSA-N 480.007 4.620 10 10 JJCE CCOc1ccccc1C=CC(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1 2297332727 LLAIRXHCQBZDGU-UHFFFAOYSA-N 494.599 4.710 10 10 JJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)c1 2313561230 ZTLZBHZQVSWFAV-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC1=S 2314486855 FNDQZSDYOCIQSO-UHFFFAOYSA-N 471.563 4.970 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314769458 QVAHFBYGOBKBMR-QGZVFWFLSA-N 462.390 4.955 10 10 JJCE O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 4155196 GACQCEMDDWKFKH-WOJGMQOQSA-N 452.469 4.959 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(NC(=O)c4ccccc4C)C3=O)c3ccccc32)cc1 40844766 FQXYHJOFUSHGFS-FCQUAONHSA-N 499.617 4.767 10 10 JJCE COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl 65096313 NPUJIDNTQANVIB-UHFFFAOYSA-N 467.374 4.781 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)N3CCC(N4c5ccccc5C[C@@H]4C)CC3)cc2F)C[C@@H](C)O1 728745777 LJTAEWDLGRHAAX-PCCBWWKXSA-N 480.628 4.565 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1705590357 IXLQUDANRMXULL-UKILVPOCSA-N 482.676 4.936 10 10 JJCE CC[C@@H](C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857379 CTXFLAOIQBTBAF-CVEARBPZSA-N 487.512 4.610 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3ccc(N(C)C)cc3[nH]2)sc(C)c1-c1ccccc1 1866502440 JNZPPGLSLIREOG-UHFFFAOYSA-N 461.543 4.670 10 10 JJCE CCCOc1cn(CCc2ccc(C)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870656167 BZETZFHJGINCSL-UHFFFAOYSA-N 475.633 4.519 10 10 JJCE CCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870903004 AQIWAIFSGDXTBI-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(C)cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420601 RMWDHBIREQJXFW-UHFFFAOYSA-N 457.574 4.939 10 10 JJCE CCc1nn(Cc2ccc(Br)cc2O)c(I)c1C(C)(C)C 2079636707 VBJDYLNKTFSUSL-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE CCCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCN2C 2163142833 DQWSKHGMCGTIMU-RUZDIDTESA-N 466.670 4.747 10 10 JJCE CCN1C(=O)C(=Cc2ccc(OCCOCCOc3ccc(C)c(C)c3)cc2)SC1=S 2293615630 QPNFCJQJBVUHGG-UHFFFAOYSA-N 457.617 4.999 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1C 2297468667 SGZFGSGRBIQTJX-UHFFFAOYSA-N 497.580 4.824 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314507644 KWLYRNLEKZKVNE-AWEZNQCLSA-N 469.563 4.934 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc(Cl)cc1 2314827609 IMMYGQOZOAKJJO-UHFFFAOYSA-N 453.372 4.929 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 2988308 COFMYJWNXSFLKQ-AZDFLESRSA-N 482.583 4.657 10 10 JJCE O=C(O)COc1cccc(/C=C2/SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)c1 16909767 OHHXSDQYQWXDQE-VIZOYTHASA-N 456.829 4.905 10 10 JJCE COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)CC2)cc1 26780382 XBUNAGIADQCVCV-XMMPIXPASA-N 454.655 4.971 10 10 JJCE COCCn1c(C)cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)c1C 33344861 WXICQOMXGQOLDM-DHDCSXOGSA-N 452.363 4.730 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 33430012 WNHDOKWQWDCPRA-GZTJUZNOSA-N 491.431 4.828 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 39835868 SNLKDLQXHLAEIB-LDADJPATSA-N 451.573 4.652 10 10 JJCE O=C(O)c1ccccc1C(=O)Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 39899543 ZDCZQKPVLVTBKX-UHFFFAOYSA-N 479.444 4.910 10 10 JJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ncc(Br)cc1Br 101112490 RNMIDTDRRSGUGV-MDWZMJQESA-N 470.552 4.979 10 10 JJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 103564934 FJASPQTYNCPQNG-IXNXYFIPSA-N 478.574 4.818 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 205691628 QXWWXOOTFMVFAC-BRNLPKLHSA-N 453.545 4.771 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C(N)=O)C3=O)o2)c([N+](=O)[O-])c1 210222639 NDDHSWIGFHJZIL-ODLFYWEKSA-N 465.512 4.668 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)C[C@H]1C(F)(F)F 1168522964 IWFDIYNYAFFYJZ-HIFRSBDPSA-N 453.299 4.575 10 10 JJCE CCCCCCc1c(C)c2ccc(OCC(=O)NCCc3ccc(O)c(O)c3)c(C)c2oc1=O 1860258076 QKFOSHIITMPGHR-UHFFFAOYSA-N 467.562 4.682 10 10 JJCE C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344991 LYJKXLKORKMHDF-GCJKJVERSA-N 454.574 4.659 10 10 JJCE COC(=O)c1c(NC(=O)Cc2ccccc2S(C)(=O)=O)sc(C)c1-c1ccc(C)c(C)c1 1866155120 DTJIJPDZUQNDFR-UHFFFAOYSA-N 471.600 4.712 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170429 ZLKATTSFHQMHAU-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE CC1(c2nn(Cc3ccc(Br)cc3O)c(I)c2C2CC2)CC1 2079802696 JSIILCFMCIAROS-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 2293264747 YRIVPYCFXAMUQU-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)sc2c1 2294259246 WZRQZTGXLVPYJB-UHFFFAOYSA-N 471.380 4.825 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc(OC)c1OC 2313503079 KLYXMECEOICOBG-UHFFFAOYSA-N 450.969 4.637 10 10 JJCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 2313631479 ONGSWDBMFVGZAJ-UHFFFAOYSA-N 457.530 4.515 10 10 JJCE COc1cc(/C=C2/NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc12 6574756 FLAAFTIBMFXXDG-YBFXNURJSA-N 483.387 4.877 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459139 NHFMTJGYFUJVNX-WOVHNISZSA-N 462.571 4.706 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 15037523 RBNQGUKLRKVZBB-PDGQHHTCSA-N 462.980 4.674 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc(OC)c1O 15043701 MLECYSMOQBPUKY-HKWRFOASSA-N 486.615 4.810 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 20704876 PSSVCHLUKGFNNV-PMECCGAFSA-N 453.926 4.984 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 33319967 MKDKEOQAOFOPFG-HAHDFKILSA-N 486.480 4.869 10 10 JJCE CC1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3OC3CCCCC3)SC2=S)CC1 39793794 PFOPEQBOUUDNHG-QNGOZBTKSA-N 458.649 4.858 10 10 JJCE Cc1ccc(-c2ccc(/C=C3/SC(N(C)c4ccccc4C(=O)O)=NC3=O)o2)c([N+](=O)[O-])c1 39870020 FMBYMJZSMQHPHK-UDWIEESQSA-N 463.471 4.968 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccc(Cl)cc1 40839746 UWKWGNVGVPICMN-ZROIWOOFSA-N 453.770 4.649 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152323 ULTDGLIJVMRMDY-FFCYNSPCSA-N 481.477 4.842 10 10 JJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 96462395 UCRMWGOVOOMQDW-GZTJUZNOSA-N 466.837 4.554 10 10 JJCE CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 97996331 DDZAASHCWCRVIS-YFHOEESVSA-N 474.517 4.918 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)sc2c1 208742563 PMEFLCBYKIPVCR-VCHYOVAHSA-N 469.613 4.843 10 10 JJCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCSc2nccs2)CC12CCCCC2 1359381625 NBZQWZPLFBWCIJ-UHFFFAOYSA-N 476.716 4.586 10 10 JJCE COCCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12 1614472869 PMHSEEPGZMFGAV-NVQXNPDNSA-N 476.617 4.879 10 10 JJCE CCCCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860345269 YVNMAANESUPWER-MHZLTWQESA-N 458.606 4.875 10 10 JJCE CCCC1=NN(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665801 MQEQKJJCIGRATI-OQKWZONESA-N 498.023 4.642 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(Cl)ccc(Cl)c3c2=O)N2CCCCC2)cc1 1866449503 YTVRZIIBMKAIKD-OAQYLSRUSA-N 487.431 4.858 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873164364 YHFZNQVLKHJMRO-CLOONOSVSA-N 468.601 4.938 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)cc2O)C1 1952451948 DFUSMDCZMSMDQJ-VOIUYBSRSA-N 459.498 4.885 10 10 JJCE CCN[C@@H](c1ccc2c(c1)CCN2CC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106858481 XHVKVFKQRZGMDC-NOZRDPDXSA-N 453.627 4.830 10 10 JJCE O=C(O)c1ccc(COc2ccc(C=C3SC(=S)N(Cc4cccnc4)C3=O)cc2)cc1 2293406554 FYKRXTGGBIJWFX-UHFFFAOYSA-N 462.552 4.760 10 10 JJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297295878 PARJOEUMSPUNBF-UHFFFAOYSA-N 468.297 4.605 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)CC)C1=O 33707035 LHXUHAAOUZZUOU-WDMNMGCXSA-N 458.653 4.629 10 10 JJCE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 35239492 HTMKFKPLRVUDMP-RCCKNPSSSA-N 484.606 4.708 10 10 JJCE O=C1/C(=C\c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccccc1 83308992 CNTXOQHXQIHNPR-STZFKDTASA-N 484.537 4.829 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnc(-c2cccs2)s1 110618608 VPPDKMCNXRVDBM-UHFFFAOYSA-N 453.511 4.657 10 10 JJCE Cc1cc2nc3sc(=Cc4cc(C)n(-c5ccc(C(=O)O)c(Cl)c5)c4C)c(=O)n3c2cc1C 1084295470 MUMCDYBOQKHCIL-UHFFFAOYSA-N 477.973 4.833 10 10 JJCE C/C(=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1OC(F)F 1465950812 CDYSKNLXMBEKND-OTMARIDSSA-N 450.913 4.831 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(C)cc1 1860761480 VPKAEVGASHAWOL-TWKWOARYSA-N 454.592 4.698 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476033 YZTZQVBOOQWBCW-UHFFFAOYSA-N 495.631 4.601 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421202 LMKDXHAWEHEQOL-UHFFFAOYSA-N 486.616 4.637 10 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JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15044402 VGLLJYYFPCWTJH-PGMHBOJBSA-N 498.626 4.969 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=N)N4C(SCC(C)C)=NSC4=NC3=O)o2)c([N+](=O)[O-])c1 20238948 QPMZLKOBPOZGIP-UJNQTBGZSA-N 485.547 4.829 10 10 JJCE Cc1cc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1Cl 32980972 NZLHTIQOOQSWHR-UUOJLOPESA-N 497.024 4.591 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 34696855 MRGGNBGUUJFCJE-QZQOTICOSA-N 451.617 4.725 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4SC(C)C)o2)c([N+](=O)[O-])c1 96475777 QCSFAMPJILNJQF-TWGBNTOESA-N 485.547 4.972 10 10 JJCE CCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)SC1=S 213199024 XNOHCFSIHMUXPA-PDGQHHTCSA-N 451.573 4.633 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CNc3ccc(I)cc3C)C2=O)o1 1084200039 WLRXYXVERFHOOV-NVNXTCNLSA-N 470.357 4.772 10 10 JJCE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1 1265001620 CVANPPQXPPJCQL-SFHVURJKSA-N 450.501 4.633 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@@H](c3ccco3)C2)n1 1868480447 AUZHDIGLJQHYPZ-QGZVFWFLSA-N 450.498 4.891 10 10 JJCE Cc1cc(Br)ccc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1891973445 ZQGCQNSJBBYQFG-UHFFFAOYSA-N 454.327 4.590 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2053467529 OSPKETKWSIKRRR-LLVKDONJSA-N 474.412 4.642 10 10 JJCE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)c1ccc(N2CCCCC2)cc1 2106829871 ASFHTWAXCDFRGC-VWLOTQADSA-N 453.627 4.737 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2296390091 KJQJHSKINUIQNR-UHFFFAOYSA-N 455.239 4.515 10 10 JJCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 2297454006 FKTORXUWFGNHLK-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1nccs1 2314836663 ICWUWGVKSUIHDL-UHFFFAOYSA-N 468.025 4.902 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccccc5OC)c(C)c34)CC2)cc1 10013119 NNJJZZIFGBOQMW-UHFFFAOYSA-N 489.601 4.596 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cccc(C)c3)CC2)cc1 15727964 BRIWWIVFIBMMTE-UHFFFAOYSA-N 469.541 4.965 10 10 JJCE COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(OC)ccc4O)=NN23)c(OC)c1 20071361 DHWMBGRZPZNBEO-RLWLMLJZSA-N 462.502 4.669 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 20701364 HEOYLKXJQFXWOF-ZOCZFRKYSA-N 481.401 4.546 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccccc1O 33373231 GMDAJHVUBRBGIR-SFQUDFHCSA-N 477.405 4.775 10 10 JJCE CCCCc1nc(N2CCCN(Cc3ccccc3O)CC2)c2c(C)nn(-c3ccccc3)c2n1 35924691 KRZBTHHEDGKQHB-UHFFFAOYSA-N 470.621 4.884 10 10 JJCE Cc1ccc(C2=NN3C(=N)/C(=C\c4c(C)nn(-c5ccccc5)c4Cl)C(=O)N=C3S2)cc1 102447295 GFFTWRFMWQXADQ-LSZLNTRYSA-N 460.950 4.810 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCc2ccc(F)cc2)cc1 205960315 NQPFAFMYIGVDCU-JJIBRWJFSA-N 474.492 4.600 10 10 JJCE CN(C)c1ccc([C@@H]2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314455 GCNLNJLFBFFOKB-AREMUKBSSA-N 499.592 4.610 10 10 JJCE CCCc1nn(-c2ccccc2)c(O)c1/C=C1/NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O 1082788132 LNKXEPRTMGZFOK-DEDYPNTBSA-N 470.451 4.642 10 10 JJCE CCCC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665582 BKDCQXKYGDLZDI-LVZFUZTISA-N 483.996 4.646 10 10 JJCE COc1ccc(N2CCN(c3cc(N4[C@@H](C)COC[C@H]4C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869245240 BCCRUHMQNQIWGM-BGYRXZFFSA-N 494.039 4.746 10 10 JJCE Cc1ccc([C@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)c(O)c1 2079013829 RCUQLYSXUAMSTH-SFHVURJKSA-N 451.352 4.617 10 10 JJCE Cc1cc(Br)c([C@@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)s1 2194933353 YVRBZLKMODSXHF-QGZVFWFLSA-N 454.434 4.980 10 10 JJCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)o2)cc1 2297309331 BMQXELHGFSGGJK-UHFFFAOYSA-N 464.861 4.891 10 10 JJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1 2297470193 ZUBHEDCUBSFIQF-UHFFFAOYSA-N 473.533 4.909 10 10 JJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 2314770084 YZQXEXYICDUVQM-UHFFFAOYSA-N 492.416 4.792 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccs5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238803 AQNLEYFKAVCHIA-DXIKEOKKSA-N 493.526 4.982 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OCc1ccccc1 20356717 IWVXZLPJZSFBFV-VTGHKQSHSA-N 489.601 4.583 10 10 JJCE Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)c1 33784990 AUFCLBDTMCABGH-DHDCSXOGSA-N 453.326 4.711 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152326 GFQLTEVETNSKJA-RCEBRVLHSA-N 481.477 4.842 10 10 JJCE O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1CNc1cccc(F)c1 59377786 PPGHFHXFASCSFB-OVCLIPMQSA-N 470.332 4.701 10 10 JJCE Cc1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccc(Br)cc1 726947495 BZQDGFQQDKOQPA-UHFFFAOYSA-N 486.332 4.530 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)CCCc1ccccc1 1857997409 BFYHTJRJUUZDKX-UHFFFAOYSA-N 457.527 4.684 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3c(Cl)cc(Cl)cc3[nH]2)N2CCCCC2)cc1 1866542668 OLUWOWPKFNXFDR-JOCHJYFZSA-N 487.431 4.858 10 10 JJCE CC(C)(C)OC(=O)N1CC(c2c[nH]c(=NCc3cc(Cl)cc(Br)c3O)s2)C1 2201912411 AUYAWWCDXFRLBK-UHFFFAOYSA-N 474.808 4.633 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540815 XKZWAGUBFZEZSU-HDICACEKSA-N 484.691 4.958 10 10 JJCE CCCCN1C(=O)C(=Cc2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296698753 NCCNPWCSGBPJRN-UHFFFAOYSA-N 478.643 4.641 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(F)(F)F)c1 2296881699 WJKSCWYPRHDXBU-UHFFFAOYSA-N 480.489 4.664 10 10 JJCE CCCCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)s1 2296881739 YKMVGNYIIFFHIB-UHFFFAOYSA-N 452.652 4.562 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1 2297059815 LAECDPDUSBMBOV-UHFFFAOYSA-N 450.541 4.661 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 2297309764 VUTKIPBAXXBPPC-UHFFFAOYSA-N 486.499 4.720 10 10 JJCE O=C1C(=Cc2ccco2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1 2297315920 WJWTVIGFQSHBAW-UHFFFAOYSA-N 453.317 4.790 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(C)C 2314769307 YKFLJTHHCUBQES-UHFFFAOYSA-N 470.616 4.975 10 10 JJCE O=C1C(=Cc2ccc(Br)cc2F)SC(=S)N1Cc1ccc2c(c1)OCO2 2323758345 GGMQYVPPXHGWDO-UHFFFAOYSA-N 452.326 4.718 10 10 JJCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@H]2c1ccc(N(C)C)cc1 15834366 IECAEXNYEBGYQB-VWLOTQADSA-N 491.595 4.584 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526573066 USCPRTZDUFBRPE-RUZDIDTESA-N 490.512 4.521 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)o1 1084404393 GIVUUBKAHHPEJK-BKUYFWCQSA-N 475.526 4.865 10 10 JJCE COCCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@@H]1CCCN2CCCC[C@@H]12 1614472980 YKAXHYVEUYDLRX-LVXARBLLSA-N 482.665 4.789 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNc1ccccn1 1705590588 PZIBKPCOITULSO-UHFFFAOYSA-N 477.616 4.713 10 10 JJCE C[C@@H]1CN(C(=O)CCN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 1772724894 HUHSYLDNJHVBEU-BNKSZWPGSA-N 488.675 4.625 10 10 JJCE COc1cc(N2CCC(NC(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC 1858044384 QJMRKSVPMZPIAY-UHFFFAOYSA-N 454.611 4.728 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861929008 RASBIZPAEUWPGY-QFIPXVFZSA-N 478.420 4.639 10 10 JJCE CC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861962808 GSUMIIKWYTXIRE-SFHVURJKSA-N 484.811 4.513 10 10 JJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865675222 VFEOJNXPFIGWFC-HAVVHWLPSA-N 493.604 4.927 10 10 JJCE CCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870338849 PUOTYRKBQYZDBW-UHFFFAOYSA-N 482.024 4.822 10 10 JJCE CCCOc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870659245 UWNQQINQPPZCMS-UHFFFAOYSA-N 465.638 4.858 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170451 ZXXBLHORHBBXSW-KBMIEXCESA-N 468.601 4.938 10 10 JJCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C[C@H]1C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952233167 FRBJFSGTEZILOA-YZZKKUAISA-N 473.525 4.658 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 2294208532 SSUKZCDRWXQDAF-UHFFFAOYSA-N 467.890 4.648 10 10 JJCE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2296545932 BOLHRSXXEYEYLL-UHFFFAOYSA-N 485.034 4.817 10 10 JJCE CC(C)CN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2296715265 AWMZCOHEKJZDLT-UHFFFAOYSA-N 453.614 4.703 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 2313558707 HZHGBGPCIDQLSW-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)c(C(=O)O)c1OC 2314929537 OCQNGDOZMBMKMD-UHFFFAOYSA-N 451.525 4.961 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641988 GYLJOGKKEFABSV-YPCDYVTLSA-N 479.621 4.611 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14472803 ZUIOAQHCRKHKDE-PNLZDCPESA-N 459.955 4.859 10 10 JJCE CCc1ccc(-n2c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 18343195 ZSVOECBRSJUNBL-UHFFFAOYSA-N 486.641 4.765 10 10 JJCE Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)cc2)cc1 96475843 OHCHHUHHKIWSSY-HAHDFKILSA-N 469.497 4.828 10 10 JJCE CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1 1641743442 MASPVSFXPHSQNG-QGZVFWFLSA-N 451.567 4.694 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865028203 RPDDHPMDTVGDDR-QFIPXVFZSA-N 496.995 4.589 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873164110 MPPDRRKNFLLAKG-CLOONOSVSA-N 468.601 4.938 10 10 JJCE CN1CCc2cc([C@@](C)(CC(=O)O)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc21 1951809251 MRVILEFATXKMKQ-MUUNZHRXSA-N 456.542 4.908 10 10 JJCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1 2084725415 OFNQJZXTKFZCQY-FQEVSTJZSA-N 480.436 4.910 10 10 JJCE CCN(CCN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2106876313 CPOIUOQMQAPKDC-UHFFFAOYSA-N 462.635 4.645 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294037606 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ORGYMBLBQXKNPI-HKWRFOASSA-N 483.659 4.934 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCC)C2=O)cc1OCC 40938255 PCCSVHRZFXVBAK-CYVLTUHYSA-N 451.610 4.809 10 10 JJCE COc1ccc(O)c([C@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1 64567433 ZRUOAZTUNHPFPY-XMMPIXPASA-N 497.345 4.981 10 10 JJCE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](NCc1cc(Br)cc(F)c1O)C2 715738959 QXKLIBPARFVYBY-YSSFQJQWSA-N 463.347 4.573 10 10 JJCE Brc1cc(CN2CCC(OCCN3CCCC3)CC2)ccc1N1CCCCC1 1204579646 IRJFULCDQAMZSV-UHFFFAOYSA-N 450.465 4.516 10 10 JJCE COc1ccc(-c2c(/C=C(/O)C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1OC 1615247910 FVUIHLRTQPVYSK-VXLYETTFSA-N 465.424 4.706 10 10 JJCE Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccc(I)cc3)C2=O)c1 1860074739 INFOTVXJNPJDDX-OQLLNIDSSA-N 453.326 4.711 10 10 JJCE Cn1ccc2c(NC(=O)Cn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)cccc21 1860343681 MTELUVMHJOEENC-UHFFFAOYSA-N 473.536 4.705 10 10 JJCE Cc1ccc2c(c1)N(CCCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C(=O)C(C)(C)O2 1865767536 BLUWRIQNEIJFQN-UHFFFAOYSA-N 482.536 4.693 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CC[C@H](C)C2 1866279222 QWJOALNLZGCXNT-ROUUACIJSA-N 495.645 4.641 10 10 JJCE C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867336734 XGXVVDMCGZWBME-MUAVYFROSA-N 498.671 4.881 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873165268 FLUHTMWZOSQKER-UHFFFAOYSA-N 477.992 4.654 10 10 JJCE COCCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420602 QTVCYQLMMSFNDE-UHFFFAOYSA-N 467.928 4.725 10 10 JJCE CCOC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1Br 2079234901 JCOPSMVYCZGHIE-UHFFFAOYSA-N 461.156 4.614 10 10 JJCE CCCN[C@@H](c1ccc(N(C)C)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2163126673 KWSDLWJSDBIYHL-LBNVMWSVSA-N 466.670 4.963 10 10 JJCE Cc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 2293689704 UAHAJYGCUCYWAZ-UHFFFAOYSA-N 465.509 4.695 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCOC)C2=O)ccc1OC(=O)C=Cc1ccc(OC)cc1 2296702673 HTQBUHVEIZUCOC-UHFFFAOYSA-N 499.610 4.560 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296709071 NNZJDULCSCGHOG-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2[C@H]2C=CC[C@H]21 14477945 PEDVDCUXMZMLMA-LZCXECNNSA-N 475.570 4.942 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38620112 BHAAXQWZLQKZJL-QFIPXVFZSA-N 488.510 4.992 10 10 JJCE O=C(O)CCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccccc3)cc2)SC1=S 210605304 LGKXVVADZDWYAF-XOLQDACBSA-N 467.568 4.762 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526565412 KLSYVVMVHOFWPY-SANMLTNESA-N 486.568 4.921 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(F)cc1 1860759540 VMEFDPOGCYUODX-CJCBUOBESA-N 472.582 4.919 10 10 JJCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426398 WEOFEUOCRZHLLZ-UHFFFAOYSA-N 495.583 4.651 10 10 JJCE COc1cc(Cl)cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952944512 CSOOPOYJISGOAM-QFQXNSOFSA-N 479.916 4.893 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079063365 GVXDZYVJRTYGFS-CQSZACIVSA-N 476.261 4.615 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287600257 ZOAXQKFQSUAOLE-MJGOQNOKSA-N 475.630 4.695 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2293452839 XDVIOCVSGOIDQY-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2296881525 MOXXFOGXQUZDPY-UHFFFAOYSA-N 460.650 4.529 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 2296881672 VIFJVECMVMHLIQ-UHFFFAOYSA-N 454.573 4.518 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 2297349558 KJHDESSHBKXARO-UHFFFAOYSA-N 455.776 4.701 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc5ccccc45)cc3)C2=O)cc1 2297507839 XPCJQNWWHOAQMJ-UHFFFAOYSA-N 492.487 4.734 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c(C)c1 2314829216 RLCAXYVXYPEFBS-UHFFFAOYSA-N 494.598 4.592 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O 14456952 OTMRBJRGZHHTKU-OREGWCPLSA-N 476.598 4.748 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468534 WLGXUAZWHTWFAE-XXAUWVGASA-N 496.629 4.868 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1 14473396 XBTSUDPRLRRESF-YWYGCRHHSA-N 489.981 4.532 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 15038016 ORLHHJIYJLZWSZ-MOSHPQCFSA-N 479.583 4.575 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 16922720 JKNYSPFDRGYJHA-ATVHPVEESA-N 492.525 4.606 10 10 JJCE CCN(CC)c1ccc([C@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 20608671 UUJLRDUQLJQROK-SANMLTNESA-N 477.630 4.687 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213177080 BWLWHAPYEYKXDH-AQTBWJFISA-N 451.573 4.715 10 10 JJCE C=CC(=O)Nc1cc(NC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)ccc1F 1566226564 VXQXAHBUFSMPAX-UHFFFAOYSA-N 457.303 4.768 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)N1CCCCCC1 1705590923 ZRLMCCPPKDQYTH-UHFFFAOYSA-N 496.659 4.608 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867948286 LFYOGTPOSOTRAB-GOTSBHOMSA-N 471.649 4.885 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccccc3F)CC2)cc1 1870354175 QRVYNAZCSUHAOC-UHFFFAOYSA-N 493.623 4.791 10 10 JJCE CCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870955610 PFHHTKSWYLWRKB-FQEVSTJZSA-N 462.594 4.908 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873166453 QJPVAVWEMZBUPB-HSZRJFAPSA-N 490.003 4.796 10 10 JJCE O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cc(Br)cc(C(F)(F)F)c1 1891590401 NDQPCCCEWQMQKM-UHFFFAOYSA-N 453.261 4.985 10 10 JJCE CO[C@H](c1cccc2c1ccn2C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952353489 GMLWWIVNVISNBB-CLJLJLNGSA-N 470.525 4.858 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296936128 AUSRIVMYUWEDRQ-UHFFFAOYSA-N 475.907 4.708 10 10 JJCE Cc1ccccc1OCCOCCOc1ccc(Br)cc1C=C1SC(=S)NC1=O 2297306605 AHGDGTCEAJSBIL-UHFFFAOYSA-N 494.432 4.721 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC 2297334891 GXBRLISUVPZOIY-UHFFFAOYSA-N 492.915 4.603 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348115 JETKTOIZZBLRCN-UHFFFAOYSA-N 487.497 4.839 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(O)c1 2297477624 WFZVSWQAWADSNO-UHFFFAOYSA-N 492.578 4.824 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c(OC)c1 2313541335 CDQWYPGLEUCVSK-UHFFFAOYSA-N 489.597 4.559 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314836303 CNLMCXZFQKDEMT-NSHDSACASA-N 452.479 4.639 10 10 JJCE O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1N1C(=O)c2ccccc2C1=O 1383254 DPEQZTHRLMHKOR-KGENOOAVSA-N 472.547 4.678 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O 14457108 CGNFSQWHJBSTDQ-WZOHSFFVSA-N 454.592 4.792 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 33469180 YPDGPLDORXJCSZ-QNGOZBTKSA-N 490.654 4.641 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 39835779 YHWCPIKYSGXZNG-QGOAFFKASA-N 451.573 4.715 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)CC2)cc1 108433271 ABQXTDLBLVGGSZ-XNTDXEJSSA-N 493.611 4.754 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 213176244 YDTAFXHWYGTSCD-QLENYVDCSA-N 451.573 4.795 10 10 JJCE CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2 226835019 FHOPMMGBFLXLCQ-RNHFSVANSA-N 477.542 4.952 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 253579564 ZUTQABWRGMXQJI-IUBJVUOCSA-N 485.923 4.592 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526567911 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4.613 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4C[C@@H](CN(Cc5ccccc5)C4)C3)ccc(N)c2C1 719378026 IMHOSIHEAYDFKJ-VXKWHMMOSA-N 462.638 4.520 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(C)cc1 1860761478 VPKAEVGASHAWOL-CBVHJVASSA-N 454.592 4.698 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1865886483 CGBQWHRZQLPQFL-MHZLTWQESA-N 496.611 4.510 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4nc(C)sc4c3)C2)sc2c1CC[C@H](C)C2 1866258513 AZDLXGHMFBFYPZ-DZGCQCFKSA-N 497.642 4.959 10 10 JJCE CCCCc1ccc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866435269 KTMXCKIRRUERSB-MHZLTWQESA-N 474.649 4.894 10 10 JJCE COCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420031 GUXQOGCYUQYUFQ-UHFFFAOYSA-N 488.544 4.539 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420032 UVNVOUUSKLBIEY-QHCPKHFHSA-N 459.521 4.604 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)CC2)cc1 1874752965 JLRKLUDHFNNSPK-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 2293417966 CUILTAFVDGBQNO-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1F 2294216472 IDKSQHHQGXCSIT-UHFFFAOYSA-N 493.354 4.672 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)c1 2294271270 ASIVHRMEKDENBP-UHFFFAOYSA-N 455.461 4.636 10 10 JJCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1 2297470660 JQPTXEJZVBREAN-UHFFFAOYSA-N 455.543 4.770 10 10 JJCE C[C@H](O)CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323701838 YUGYZIVAWDHTDP-HNNXBMFYSA-N 473.019 4.956 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323865535 PYQFBNPVEYYUKR-HNNXBMFYSA-N 452.326 4.615 10 10 JJCE CC(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14462886 COYULCCRYSQAME-ZEVJAHDQSA-N 451.636 4.573 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c4ccccc4n3)CC2)cc1 23432734 MXZRSDKGFUGQMG-NHCUHLMSSA-N 458.606 4.688 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3cccn3-c3cc(Cl)c(OC)cc3OC)C(=O)N=C2S1 32964124 UFSRPIIGTUTRTI-IEKIFKJDSA-N 457.943 4.567 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1 39875020 HFRLBMHLQMBVGJ-BOPFTXTBSA-N 455.586 4.535 10 10 JJCE CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC 40940273 SOSZVWHXJJUPOA-PDGQHHTCSA-N 462.980 4.684 10 10 JJCE CCC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 102855874 LTBTVDPLYUMVHW-SAAWKEMMSA-N 467.827 4.509 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 213145673 WXNDAQPLBRWYSA-JXAWBTAJSA-N 451.573 4.797 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OCC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526234921 CMIDFZSKJXXVMF-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526437123 YESPUXOUZJZLPC-VWLOTQADSA-N 475.497 4.765 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084070056 WZUOTYFZVYHCBD-NRFANRHFSA-N 454.486 4.811 10 10 JJCE COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3F)SC2=S)c1 1860086733 DIBSGNXFMNCONM-OVCLIPMQSA-N 452.326 4.781 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)c1O 1865672180 OKJZXWUZKVRIJZ-NVNXTCNLSA-N 469.257 4.816 10 10 JJCE CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874017588 SGTWNSZILNYWKK-MRXNPFEDSA-N 481.504 4.845 10 10 JJCE CC(C)(C)OC(=O)NC[C@]1(NCc2cc(Cl)cc(Br)c2O)C[C@H]2CC[C@H]1C2 2188293726 UTSIONGKDFKFEN-TVSHIAKJSA-N 459.812 4.981 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 2293332634 USCHEGWTLRUPFS-HNNXBMFYSA-N 458.470 4.825 10 10 JJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2294094854 AIWLDOUQIHTGKI-UHFFFAOYSA-N 471.252 4.649 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2296540713 JDIRFGIVSDSSAP-UHFFFAOYSA-N 482.631 4.624 10 10 JJCE CCOc1cc(C=C2C=C(c3ccc(OC)cc3)OC2=O)cc(I)c1OC 2297550969 ZAPZXMGRWILKNI-UHFFFAOYSA-N 478.282 4.688 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828220 RMKGZIHEMOTHMS-UHFFFAOYSA-N 481.477 4.844 10 10 JJCE COc1ccc([C@H](CN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 2323880077 PODNFNJCBVPWGM-SFHVURJKSA-N 477.995 4.761 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1 2967977 IJLDDKLUTPOEST-RCCKNPSSSA-N 465.600 4.786 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N[C@@H]5CCC[C@@H](C)[C@@H]5C)c(C)c34)CC2)cc1 10013152 DPGJJPPBJPHDTF-KGVIQGDOSA-N 493.677 4.889 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2[C@@H]2C=CC[C@H]21 14478111 DXRZPMGWIJBZLY-UMEGOILYSA-N 461.543 4.900 10 10 JJCE CC1CCN(C(=O)C2=CN(c3ccc(F)c(F)c3)c3cc(Cl)ccc3S2(=O)=O)CC1 65096321 JQWBQVGDZLVKRS-UHFFFAOYSA-N 452.910 4.644 10 10 JJCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1(c2ccc(Cl)cc2)CCC1 71933411 PUTSYNPYAVTZJC-UHFFFAOYSA-N 452.904 4.934 10 10 JJCE CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 97455783 CLCKAGPWDOLDGI-HMMYKYKNSA-N 478.643 4.659 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526226580 JEVOBJDMYVBXNH-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(F)cc4)c4ccccc34)[C@@H]21 1772501483 WELBAEWERAPHDB-HHHXNRCGSA-N 468.532 4.956 10 10 JJCE COc1ccc(C)cc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347325 JXZVUDBCDWKRHE-NDEPHWFRSA-N 480.568 4.744 10 10 JJCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495844 RQKPCJVLLZCXJJ-UHFFFAOYSA-N 489.668 4.520 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c[nH]nc4c3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418312 CGBNFKOKRLSYEJ-UHFFFAOYSA-N 488.551 4.758 10 10 JJCE CCc1ccc(C(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874728381 XPCKNIMATWPXBO-UHFFFAOYSA-N 471.601 4.905 10 10 JJCE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163164434 GGXMGLNOIWBGGI-QGZVFWFLSA-N 474.646 4.692 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCC)c1 2294253397 MGPZJJFSLGSZGE-UHFFFAOYSA-N 465.358 4.622 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C(C)C)C2=O)c(C)c1 2296849547 PIQKWJGWAOGIRH-UHFFFAOYSA-N 451.573 4.713 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C(=N)N12 2297333713 HNKVPFWZAMWLJQ-UHFFFAOYSA-N 470.601 4.933 10 10 JJCE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 2297460032 NGZCTBUHTLEAPM-UHFFFAOYSA-N 495.601 4.596 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 2297500034 GMHAEMJNAKAGIL-LJQANCHMSA-N 462.509 4.762 10 10 JJCE O=C1C(=Cc2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314413581 BEYJQUTUDBZZHC-UHFFFAOYSA-N 480.590 4.590 10 10 JJCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2314740957 PFGWPJBSUQWUMF-MRXNPFEDSA-N 471.600 4.735 10 10 JJCE COc1cc(C=C2SC(=S)N(CCc3ccc(F)cc3)C2=O)cc(Br)c1O 2323858481 CNQIXVXDFMMKMZ-UHFFFAOYSA-N 468.369 4.746 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 2509059 DYFBDLXYFUYHLJ-WUKNDPDISA-N 477.405 4.960 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c(C)n1-c1ccccc1 8645040 RUMOSHHLINTYCN-NDEPHWFRSA-N 451.526 4.897 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O 14457216 GILVLWOXYMGTDR-LZCXECNNSA-N 462.571 4.706 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)c(C)c1 33293597 RCNSDYVGNIIRBP-FYJGNVAPSA-N 453.539 4.718 10 10 JJCE O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NC12CC3CC(CC(C3)C1)C2 35625673 QANQCQPQZABLQZ-QGMBQPNBSA-N 491.476 4.735 10 10 JJCE COC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 40937948 IXFYIGQVIOJWKX-WOJGMQOQSA-N 465.955 4.822 10 10 JJCE COc1ccc(N2CCN(c3nc(NCc4ccccc4OC)c4ccccc4n3)CC2)cc1 96194778 FSISOAMJGXQZLL-UHFFFAOYSA-N 455.562 4.586 10 10 JJCE C[C@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C1 586717617 DIDGUZAHIZZDIG-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE Cc1cc(C(=O)O)c(C2CC2)n1-c1cc(I)cc(I)c1 701408836 UETFRHJJMNJLMI-UHFFFAOYSA-N 493.082 4.571 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cc(C)ccc2OC)sc(C)c1-c1ccc(C)cc1 1860748686 HPPZYNQEHAQFSR-UHFFFAOYSA-N 452.532 4.713 10 10 JJCE Cc1ccc2c(c1)N(CCCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C(=O)C(C)(C)O2 1865769266 RYFBEYHKNJOMGF-UHFFFAOYSA-N 482.536 4.693 10 10 JJCE CC[C@@H]1CCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(CCOC)n1 1868254002 ANXCVAWKXCNHFQ-QGZVFWFLSA-N 456.546 4.563 10 10 JJCE CCCCOCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163954 FAJNFBWAVXFVGB-UHFFFAOYSA-N 486.616 4.566 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420758 VCMCJPDJSSCYPY-UHFFFAOYSA-N 488.544 4.539 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3CCC[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2040469214 DBBZRSGMXKCRDJ-QGZVFWFLSA-N 470.664 4.712 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2053513338 NGRCXIWBISUIHZ-MRXNPFEDSA-N 460.533 4.864 10 10 JJCE CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c1I 2079939516 PEASYKCPPGCWSC-KRWDZBQOSA-N 470.351 4.931 10 10 JJCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1 2084725416 OFNQJZXTKFZCQY-HXUWFJFHSA-N 480.436 4.910 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H](C)C1NC(=O)OC(C)(C)C 2163125981 HMWOXFUQDXIOKR-IRXDYDNUSA-N 474.646 4.548 10 10 JJCE COc1cccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 2293744193 RYMZRUHHNUXYBO-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE COc1cc(C=C2SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)ccc1O 2296125627 KTSLKRSWBWLUDA-UHFFFAOYSA-N 485.609 4.778 10 10 JJCE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(-c5ccccc5Cl)o4)C(=O)N=C3S2)CC1 2297352619 GZWKAOHJGHIWIK-UHFFFAOYSA-N 453.955 4.909 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)s1 2314486605 AAXDTPJBPUYUHD-UHFFFAOYSA-N 488.660 4.788 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OCC)c3ccccc3)C2=O)c2ccccc21 2314767433 GQWFYKSMVOVAEY-FQEVSTJZSA-N 480.611 4.709 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314832065 YWVIMXRRCLXOQO-UHFFFAOYSA-N 471.560 4.614 10 10 JJCE C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)C1=O 10913818 YEWYXSSHIYJZMX-GDJIYFAZSA-N 466.537 4.955 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13640895 HGTMRTMLQHKKCY-RLSLOFABSA-N 484.618 4.714 10 10 JJCE COc1ccc(N2CCN(C(=O)CSCc3nc4cccnc4n3C3CCCCC3)CC2)cc1 21109260 LHQIENCVXAQFCH-UHFFFAOYSA-N 479.650 4.527 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33723721 WPRCTVCLCXSMKL-UEVZQXRBSA-N 470.664 4.993 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 250213591 NDMAIPWWWKFWPN-NRVIRDBHSA-N 453.926 4.984 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526228273 ZNCVNJUNRBABDR-RUZDIDTESA-N 493.512 4.580 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526572553 RHNIDXZHXTYCCJ-VWLOTQADSA-N 490.512 4.521 10 10 JJCE O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 726706456 MBSJQZUHUPORFK-HXUWFJFHSA-N 481.597 4.518 10 10 JJCE CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870470082 ACNBIYDXBYXIAT-UHFFFAOYSA-N 475.633 4.901 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 1874741292 DVCVCMJFLJOEHR-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296711289 KBARPUZLQFRCNG-ZDUSSCGKSA-N 486.018 4.695 10 10 JJCE N=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352855 GKUZUBFSEIETHE-UHFFFAOYSA-N 457.968 4.757 10 10 JJCE CCOc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 2297511205 LXJPKKFDAKPBDK-UHFFFAOYSA-N 490.585 4.913 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)ccc1O 2297554747 XLOBETGGHRMOCR-UHFFFAOYSA-N 453.372 4.929 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)cc1 2318757175 XHQZVBDDXVNEEM-UHFFFAOYSA-N 452.557 4.769 10 10 JJCE CCCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323815961 GKOYTPGYEDTHCX-NSHDSACASA-N 464.790 4.653 10 10 JJCE Cc1cc(CCNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)n1-c1ccccc1 10341532 HPTRIDIOSMHXCG-UHFFFAOYSA-N 458.587 4.704 10 10 JJCE O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1 14473398 XBTSUDPRLRRESF-AEFRCRGFSA-N 489.981 4.532 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC3CCCC3)C2=O)cc(I)c1O 33448868 QTUMPSYNRBPRQV-XNTDXEJSSA-N 489.400 4.787 10 10 JJCE O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(OCc2ccccc2)cc1 33531821 VRHZDUYGYGCLAC-CPNJWEJPSA-N 452.582 4.873 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(O)cc1 33723305 AGUWCQZUYACPML-HMAPJEAMSA-N 492.578 4.824 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@H](C)C3)SC2=S)cc1 33812142 JHOCFLRHTZLNTO-SLCIXIPPSA-N 492.670 4.512 10 10 JJCE CCOC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1OC 41012019 BLRVJXYXVJRJDP-UHFFFAOYSA-N 465.889 4.843 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 210168982 SVEFGRXRHPTAJU-UNOMPAQXSA-N 466.496 4.888 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(F)c1O 687733852 JRQJWRHGYGQNIX-RUZDIDTESA-N 453.441 4.899 10 10 JJCE Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860344803 GVJFBDSALRGGAE-LJAQVGFWSA-N 478.596 4.803 10 10 JJCE Cc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860560362 BOHWRPKRMMSOMM-UHFFFAOYSA-N 489.531 4.989 10 10 JJCE CC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937609 AYNZKVYAQSWGHK-BXOOBUKZSA-N 484.527 4.628 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873167930 CZJFCYHPBRZXQZ-GOSISDBHSA-N 487.600 4.780 10 10 JJCE Cc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079006592 FAZNWMOOJPVFPL-QGZVFWFLSA-N 466.319 4.857 10 10 JJCE CN(C[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1)C(=O)OC(C)(C)C 2163166895 HJOSSMVWEFIKET-SFHVURJKSA-N 474.646 4.645 10 10 JJCE O=C(C=Cc1ccccc1)Oc1ccc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296727496 IAZXIOZZUXOLNE-HXUWFJFHSA-N 451.569 4.686 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 2314913691 WYFYUHXELBOKQW-UHFFFAOYSA-N 493.610 4.566 10 10 JJCE Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 34221917 JZQXXIWRYJIRTD-YVLHZVERSA-N 457.273 4.700 10 10 JJCE O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc(C(F)(F)F)c1 35129110 RDEGHTVWLAVWOJ-WQRHYEAKSA-N 495.504 4.856 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 102997496 WCKATCDOHWHBKL-SJPXOZHESA-N 481.599 4.804 10 10 JJCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)O[C@H](C)C2 730539665 HTYCTLAJTQPOJU-BDNJEWPKSA-N 478.633 4.786 10 10 JJCE CC(=O)c1cc(F)cc(CN2CCc3cc(Br)c(Br)cc3C2)c1O 1174864002 VQOFDTFZJRCMGW-UHFFFAOYSA-N 457.137 4.817 10 10 JJCE CCC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861962149 MZWBOBYRDKWAFU-LJQANCHMSA-N 498.838 4.903 10 10 JJCE CCCNC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871134486 HTSBRQARZZBXOG-UHFFFAOYSA-N 497.599 4.552 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccc(Br)s2)[nH]n1 1874016978 JOWPARZDXHJBQN-UHFFFAOYSA-N 478.327 4.928 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079007559 VHBVPDHEGZVSEZ-SFHVURJKSA-N 466.319 4.555 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(N)c2I)C2(C)CC2)cc1C 2080047922 LCMNFESUHYRZDX-AWEZNQCLSA-N 465.257 4.801 10 10 JJCE CC1(C)CN(C(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163162731 LUGDJTYBXZXWMC-UHFFFAOYSA-N 474.646 4.645 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2323719213 YATBZCYLPYAZOY-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccccc3Br)SC2=S)N(C)C)cc1 2323880159 XPDBCICXOBLGQS-GOSISDBHSA-N 477.449 4.962 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)c1O 2332124187 BDLKPFMVGVFZNP-UHFFFAOYSA-N 466.129 4.732 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479302 WANPMVLYQNMZSE-WZOHSFFVSA-N 454.592 4.705 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C)c4C)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 59861988 XHWJALZNHWZRIT-WQRHYEAKSA-N 461.430 4.987 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C\c3ccc(Cl)cc3)O4)CC2)cc1 96714242 XRALBEMPTFXVLZ-PCLIKHOPSA-N 489.959 4.683 10 10 JJCE CCOc1ccc(-c2nc(N(CC)CC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867997049 VGAGNNYHSGMAOB-UHFFFAOYSA-N 461.610 4.724 10 10 JJCE Cc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079141698 LIEHSUWQSAYRMC-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(CN)c2I)C2(C)CC2)cc1C 2079980597 GULFGHFMBDSXAU-GOSISDBHSA-N 451.352 4.536 10 10 JJCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C(=O)O)c1I 2080006856 MLJDVOVGMOVXRU-CYBMUJFWSA-N 454.308 4.559 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(Cl)cc(Br)c3O)[C@H]2C1 2149374651 MMXLXERSTNRTPQ-NUTKFTJISA-N 459.812 4.933 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c(C)c1 2293417955 ABGASOTXRBTTFL-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 2314913625 HSTPYSQUFVZBEQ-UHFFFAOYSA-N 477.611 4.866 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@H]2C=CC[C@H]21 14544137 SPSWLRMKYKXXNU-OREGWCPLSA-N 476.598 4.696 10 10 JJCE CCCN1CCCc2cc(CN(CCOC)C(=S)Nc3ccc(C(=O)OCC)cc3)ccc21 20730760 WYTOLMUNQDJNOU-UHFFFAOYSA-N 469.651 4.871 10 10 JJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 33248306 DKLLCDOIGWYWNH-GIDUJCDVSA-N 476.710 4.708 10 10 JJCE CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(O)=NC2=S)c1 33301329 BLSCWBCJXVDBKB-CPNJWEJPSA-N 462.483 4.715 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccc(F)cc3)nc12 33649757 OETGBWZBXRHYRT-XDHOZWIPSA-N 493.541 4.929 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33723731 FDBSKOJAQALRAR-MNTXUITRSA-N 478.643 4.657 10 10 JJCE C[C@@H]1C(=O)[C@H](C)[C@@H](c2c(O)cccc2Br)N[C@@H]1c1c(O)cccc1Br 33909266 XEGCGRZCWIFNHZ-JXDQDEQISA-N 469.173 4.850 10 10 JJCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F 59536096 YOEJTAZXWNDHKA-UYRXBGFRSA-N 450.853 4.725 10 10 JJCE Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCCc2c[nH]cn2)cc1 101771914 QTBRYJPNTSDJFD-CPNJWEJPSA-N 474.615 4.539 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1OC 1858587980 LDIKYWXORLTCDK-IUOVYFEOSA-N 487.599 4.910 10 10 JJCE CCOC(=O)c1c(NC(=O)COc2ccc(N)cc2)sc(C)c1-c1ccc(OCC)cc1 1860083098 DCJBYJBKKRLTEG-UHFFFAOYSA-N 454.548 4.899 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868479324 OTAMIXSRWIABST-UHFFFAOYSA-N 477.480 4.906 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871503224 DBYGQTAOVLIZFJ-UHFFFAOYSA-N 475.641 4.564 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873167879 BKIYUYBXNNLDPK-HSZRJFAPSA-N 493.611 4.812 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873168550 ZDNQJJDKNRVRDM-SFHVURJKSA-N 485.584 4.549 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425605 HTBSOBIZQNGXRY-UHFFFAOYSA-N 496.615 4.504 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccc(Br)c1O 1951865596 AKXBMPXYYVFBNR-XMMPIXPASA-N 482.330 4.993 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080005495 LJVXRVUUMKSEOY-LBPRGKRZSA-N 456.324 4.504 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 2296709056 JZPCUWPKMREXAB-QGZVFWFLSA-N 478.643 4.923 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2297554771 ZLCJIJFPJJRJRK-UHFFFAOYSA-N 477.589 4.762 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(O)cc1 2314397316 AGUWCQZUYACPML-UHFFFAOYSA-N 492.578 4.824 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)c(C)c1 2314506193 BMAQSZZEQQKZGD-UHFFFAOYSA-N 465.600 4.961 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)C(=Cc2cc(Br)c(OCC)c(OC)c2)C1=O 2332127013 SXZAZNIAYJUNRX-UHFFFAOYSA-N 473.367 4.905 10 10 JJCE Oc1c(F)cc(Br)cc1CNc1cc(F)c(F)cc1I 2379826342 JAGXUDYWDKSDMT-UHFFFAOYSA-N 458.015 4.789 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCc2ccc(F)cc2)cc1 20288578 QQSNZSZNXIQRCA-XQNSMLJCSA-N 460.465 4.557 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 40859313 AGUWVIKAOMXGPY-OQLLNIDSSA-N 450.335 4.562 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 83308991 XMRPRURGGIECCS-ATVHPVEESA-N 454.870 4.745 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526404179 VKBCRFVYHXSHAZ-JOCHJYFZSA-N 498.329 4.935 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526467117 DHDOGEVZVAGAMW-XMMPIXPASA-N 475.497 4.730 10 10 JJCE C[C@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccc(N2CCOCC2)cc1 920871531 BIOLRKJLIZPINH-ZDUSSCGKSA-N 483.204 4.931 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)ccc3SC3CCCC3)cc2)CC1 1616251533 GDLLHKNJQXVDHS-UHFFFAOYSA-N 451.636 4.628 10 10 JJCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)N2CCCCC2)cc1 1858074063 BGQUHPTVLKCSKP-SANMLTNESA-N 471.667 4.580 10 10 JJCE Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1C 1860552857 YOBNQPHULGDRBC-UHFFFAOYSA-N 475.504 4.978 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc(C(C)(C)C)nc3ccc(F)cc23)c2nccn2C)cc1 1866280615 ZVOOJUPDLLMRCN-XMMPIXPASA-N 459.569 4.990 10 10 JJCE Cc1c(Cl)ccc2c(O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866509423 SGPRARKBGHZLAW-HSZRJFAPSA-N 467.013 4.925 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166156 FCCFGTKNJVRBHA-LJQANCHMSA-N 471.601 4.813 10 10 JJCE O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1891462844 QGZCZHMRZCZKNS-UHFFFAOYSA-N 482.370 4.571 10 10 JJCE CSc1ccc(C=C2SC(=O)N(CCNC(=O)c3nc(-c4ccccc4)oc3C)C2=O)cc1 2042444257 QKCDATYUBPYSKH-UHFFFAOYSA-N 479.583 4.838 10 10 JJCE Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C=C2SC(=S)N(C)C2=O)cc1 2297560800 XTGFEVZOJFEYIG-UHFFFAOYSA-N 491.432 4.914 10 10 JJCE CCCOc1ccc(C=C2C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1OCC 2313577368 IOTMJSVMYMQBCM-UHFFFAOYSA-N 451.519 4.760 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)SC2=S)c1 2321582879 LPRSCQCNNVDWCZ-UHFFFAOYSA-N 454.312 4.796 10 10 JJCE COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c1 33333416 RYXKZJIRTNQUKS-LDADJPATSA-N 484.386 4.780 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33616826 NCJUXNJMGOTJNK-DYTRJAOYSA-N 492.670 4.765 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33723719 WPRCTVCLCXSMKL-VIIBWBEPSA-N 470.664 4.993 10 10 JJCE COc1ccc(OC)c(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)c1 59859886 BZRKUHGJRCEUKJ-GDNBJRDFSA-N 459.296 4.590 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1 62049800 RPYKQNGUZUQLMD-HMMYKYKNSA-N 454.617 4.624 10 10 JJCE COC(=O)C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(Br)ccc2S1(=O)=O 64979278 BRHBWLYLANTFLC-UHFFFAOYSA-N 463.136 4.696 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 101511358 SXHBWOVJOGLXQI-MKMNVTDBSA-N 464.113 4.746 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526152973 LVJMDHDTFYFVAO-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE O=C(O)c1ccc(CN2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)SC2=S)cc1 1858590930 PBLHAXIPNHTFSM-MKMNVTDBSA-N 484.780 4.908 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc3c(ccc4ccccc43)oc2=O)N2CCCCC2)cc1 1866289273 CZXUUOGQCWPOGB-SANMLTNESA-N 469.585 4.969 10 10 JJCE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868875922 GKRHROZKOOLXNJ-FTJBHMTQSA-N 498.067 4.866 10 10 JJCE CCCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1872884500 VUUGFMQSHTVTRU-UHFFFAOYSA-N 487.600 4.837 10 10 JJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)SC1=S 2042446140 VHCGLIFYFNFHOD-UHFFFAOYSA-N 468.385 4.920 10 10 JJCE CCSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1 2296808163 ZKXMUMCYMNDQBD-UHFFFAOYSA-N 468.564 4.641 10 10 JJCE CCCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2314739977 CPWUICMSXOKCRO-UHFFFAOYSA-N 471.600 4.819 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(CCC)c3ccccc32)SC1=S 2314769066 NYZYFSLRHPHWOQ-FQEVSTJZSA-N 480.611 4.709 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)C1=O 2314836564 GTTYXBORWFERTG-HNNXBMFYSA-N 452.557 4.560 10 10 JJCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314836833 KXNXXKNMKVIWML-LBPRGKRZSA-N 477.405 4.686 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 1028634 UEKDFNOPUBCLCP-APSNUPSMSA-N 454.356 4.858 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(C)C 206931529 YKFLJTHHCUBQES-STZFKDTASA-N 470.616 4.975 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526141230 PKRBICQAEFENCE-FQEVSTJZSA-N 459.907 4.887 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526149585 XUPMBSMWVXEOCC-HSZRJFAPSA-N 451.450 4.701 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526213453 KHLJJISZGLARBR-DEOSSOPVSA-N 477.513 4.961 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 1084272678 IFMWNVFTSSORPL-UYRXBGFRSA-N 494.519 4.774 10 10 JJCE Cc1cc(CCNC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c(C)n1-c1ccccc1 1328749872 AARACYAJKDKSKQ-AREMUKBSSA-N 456.590 4.794 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(F)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762338 CNGKXOAMJBCSRK-UHFFFAOYSA-N 498.576 4.735 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccc(O)c(O)c2)C1 1952451976 DNOQIFSXMOHREZ-GAJHUEQPSA-N 459.498 4.885 10 10 JJCE CC(C)(C)OC(=O)NC[C@@]1(CNCc2cc(Cl)cc(Br)c2O)CC12CCC2 1966052742 ICJHQWQPOAVZIX-FQEVSTJZSA-N 459.812 4.983 10 10 JJCE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848197 DXAFBKHFJUOGSS-INIZCTEOSA-N 456.324 4.557 10 10 JJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1C 2297469755 SGUYCVRXQSFEJU-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N([C@H](C)C(=O)OCC)C2=O)cc1OC 2314740811 NXMWBBAWOWSNIY-OAHLLOKOSA-N 451.610 4.807 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OCC 2314764348 AIJURNFJJGTHBQ-UHFFFAOYSA-N 462.980 4.684 10 10 JJCE COc1ccc(C=C(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1 2325336243 WNGXEUYIHVZNKW-MHZLTWQESA-N 466.585 4.941 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105143 BMDRRAFQFCKFRU-UHFFFAOYSA-N 497.595 4.549 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641982 GYLJOGKKEFABSV-SWYRRKHMSA-N 479.621 4.611 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 15038052 KNOUVYBFNWORIN-GDNBJRDFSA-N 481.382 4.922 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15046557 BLXCVBKHSDXXNI-WIWNTQSISA-N 452.479 4.639 10 10 JJCE CCCOc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1OC 35227734 ARXNAFUTTSHLTI-UYRXBGFRSA-N 482.533 4.784 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1 38196271 CLOPRSNDTVEZEZ-CLKGNMONSA-N 492.601 4.807 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3cc(Cl)ccc3OC)c3ccco3)CC2)cc1 38620103 XVSOJRUAMFTNAA-JOCHJYFZSA-N 484.984 4.635 10 10 JJCE CCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12 1614472829 MWTMOGWXWUTECU-CVDCTZTESA-N 477.045 4.817 10 10 JJCE COCCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@H]1CCCN2CCCC[C@@H]12 1614472982 YKAXHYVEUYDLRX-RLWLMLJZSA-N 482.665 4.789 10 10 JJCE O=C(O)c1cccc(CN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c1 1860825023 JDWPNPKBIBGMLM-OVCLIPMQSA-N 452.326 4.688 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc5ccccc45)n(C(C)(C)C)n3)CC2)cc1 1869971073 WTWAKXCMJBSDTO-UHFFFAOYSA-N 484.604 4.774 10 10 JJCE CCCOC(=O)c1ccc(CN2C(=O)C(NCC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170204 QTZKLBRHCUXCNR-UHFFFAOYSA-N 485.584 4.551 10 10 JJCE Cc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2C)cc1 1874186730 DAKVUXVAEGDQHE-UHFFFAOYSA-N 460.559 4.851 10 10 JJCE C[C@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Cl)cc(Br)c2O)[nH]1 2138337718 RCALAMXLSICBTO-VIFPVBQESA-N 462.797 4.884 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1Cl 2297335258 LSLFNOKDTPJNPJ-UHFFFAOYSA-N 456.372 4.949 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 2297347474 UYMVSYOUESEZMU-UHFFFAOYSA-N 467.909 4.565 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2313559225 ULPUKHUUJOSSRE-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE CC(NCCc1ccc(O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682940 OFLQKIVQKHECOV-UHFFFAOYSA-N 454.555 4.859 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)ccc1O 2314827498 GJBKEWNBHQWMJE-UHFFFAOYSA-N 456.589 4.719 10 10 JJCE COc1cc(/C=C2/SC(N)=NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc12 6603393 LPYZBUDIZMPAKC-WOJGMQOQSA-N 483.343 4.759 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14475930 CVXFZRFPQCTTLR-OHUGHZGNSA-N 477.542 4.605 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 20236212 DBNWTYGMJUBOOX-BVZJYVBKSA-N 481.936 4.874 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)sc2c1CCCC2 20627719 FWVJUKKOUXWYOV-LBPRGKRZSA-N 464.946 4.588 10 10 JJCE O=C(Cn1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 96663572 XJMVZQJKVXNXLS-YDZHTSKRSA-N 487.606 4.952 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCc1nc(-c2ccccc2)cs1 205975680 RHMCUSUZGBNHAS-GZTJUZNOSA-N 471.654 4.779 10 10 JJCE CCc1sc(NC(=O)CC[C@@H]2CCC(=O)N2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866204145 SIADCFNVCAISFY-AWEZNQCLSA-N 479.396 4.524 10 10 JJCE CCCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867343258 USDNTZNLGROYIN-CLJLJLNGSA-N 482.644 4.524 10 10 JJCE CCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870341301 UEDMCUHQYJZAKP-UHFFFAOYSA-N 479.596 4.697 10 10 JJCE CCN(CC)c1ccc([C@@H](NC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2106866601 WFFCSVWUSYACOI-JWQCQUIFSA-N 454.659 4.819 10 10 JJCE Cc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 2297454974 SEMROOFQIRMDTK-UHFFFAOYSA-N 474.464 4.634 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1 2297469484 WTCXBSBVAIGXCJ-UHFFFAOYSA-N 469.570 4.851 10 10 JJCE CC(=O)Nc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2321743448 FHDQMFIPTJAFBE-UHFFFAOYSA-N 451.342 4.952 10 10 JJCE CCC[C@@H](NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330531525 MOMGKHGSIAJPQZ-HSZRJFAPSA-N 490.431 4.649 10 10 JJCE CCOc1ccc(C2=N/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1OCC 15912235 AEBRWOUUBXACTH-RGEXLXHISA-N 465.506 4.727 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1F 20236118 OMYBSPQLXBRKCA-CTNWKKACSA-N 455.873 4.907 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccccc4F)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39845685 YXRMBRUIUPQLPA-UHFFFAOYSA-N 493.560 4.649 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccccc4O)S3)[C@@H](c3ccccc3O)C2)cc1 206361019 NRJDACDHMUNDBF-JHXRPTDYSA-N 471.538 4.928 10 10 JJCE CCCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@@H]1c1ccc(O)c(O)c1 526214850 WTOWIPDRBAGDTJ-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526441052 BNPOFZJXOQFHPL-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2O)C[C@@H]1C(F)(F)F 1168527723 JFGZDFYLEQFLPZ-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccccc2Br)SC1=S 1860083963 IIGYFUKWIFUVRG-OVCLIPMQSA-N 451.323 4.772 10 10 JJCE Cc1c(CCC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 1860285431 MATVVNJMEOXKOM-UHFFFAOYSA-N 491.584 4.832 10 10 JJCE CCCCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1865921038 CMHUZSAKRMUUHH-LBNVMWSVSA-N 490.692 4.792 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)N2CCCCC2)cc1 1866144861 BPEDDAGWOFRWKJ-RPBOFIJWSA-N 455.046 4.718 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCC(C)C)CC2)cc1 1870610807 DOHKKGQFDCUTTC-UHFFFAOYSA-N 453.627 4.570 10 10 JJCE Cc1noc(C)c1COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871012634 QXSWLDPNGRIYPO-SFHVURJKSA-N 474.561 4.769 10 10 JJCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=O)c2I)c(O)c1 2079848166 DOIQDRAOEGVBSZ-QGZVFWFLSA-N 468.335 4.701 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NCc1cc(Cl)cc(Br)c1O 2169565985 ZQIIRIPRXGIKPI-BFOVYPLBSA-N 457.796 4.542 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)C(=Cc4ccc(Cl)c(Cl)c4)SC3=S)ccc21 2321736720 RZFCLUUPUOQBLR-UHFFFAOYSA-N 451.356 4.754 10 10 JJCE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)c1C 9468120 LMELRHIVNOOUHE-UHFFFAOYSA-N 464.547 4.752 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@@H](c2ccc(Br)cc2)[C@H]2CC=C[C@H]32)CC1 13639060 KLXMIGAOBRGBSZ-IPJJNNNSSA-N 452.396 4.663 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O 33337809 ILYPKYRVMFKRTH-FMQZQXMHSA-N 480.361 4.688 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 33417603 VIFJVECMVMHLIQ-XSFVSMFZSA-N 454.573 4.518 10 10 JJCE Cc1cc(C)cc(OCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1 33687456 LLPWGQVZGYQKJO-UQQQWYQISA-N 451.526 4.799 10 10 JJCE COc1ccc(N2CCCN(C(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1 108428676 WZWCBQKRKUIHAE-UHFFFAOYSA-N 486.538 4.798 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)CC1 226829755 DEYZECOAJMSAHH-IMWIBFENSA-N 453.564 4.842 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526618012 ZJCPAWVRRNQJKK-QHCPKHFHSA-N 487.430 4.980 10 10 JJCE CCc1nc2ccc(Br)cc2c(C(=O)Nc2nnc(C3=S=CC=C3)s2)c1C 1859656474 JVCXQECRNMZIIL-UHFFFAOYSA-N 459.394 4.598 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)sc(C)c1-c1ccc(F)cc1 1860630858 JZACVQQAXALBRC-UHFFFAOYSA-N 486.487 4.779 10 10 JJCE CCC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665392 QSIGMCSXYQCOBJ-LYBHJNIJSA-N 485.584 4.756 10 10 JJCE COc1cc(/C=C2\C(=O)N(C)N=C2C(F)(F)F)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865676106 QORSQJIAITZSJL-QPEQYQDCSA-N 473.234 4.995 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3F)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677652 VVUGAWLJHQRSJE-RCCKNPSSSA-N 481.568 4.663 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCCCC4)nc(Cc4ccccc4)n3)CC2)cc1 1867948398 ONXNNPWBKXKIFY-UHFFFAOYSA-N 457.622 4.783 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170040 MFKBQBWMGQPABX-CJFMBICVSA-N 476.665 4.684 10 10 JJCE CC[C@H](CN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2116680658 CYEFALDOUMBSBF-QGZVFWFLSA-N 462.635 4.692 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 2296038242 WHFLVMOPEGCKJH-UHFFFAOYSA-N 469.371 4.557 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCCC(=O)O 2314934124 YBDIMNFXDKADGC-UHFFFAOYSA-N 494.388 4.717 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459029 FWGYBNNNXZIFLU-DFIYOIEZSA-N 454.592 4.792 10 10 JJCE CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)nc1)c1ccccc1 34681879 RGJUDFGBHDVXML-MHZLTWQESA-N 471.649 4.992 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 59303286 RLHSJUWKBYOEDO-WQLSENKSSA-N 499.148 4.616 10 10 JJCE COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 103555589 DOZLITTWRUHQOT-SILNSSARSA-N 499.498 4.534 10 10 JJCE COc1ccc(N2CCC(NC(=O)/C=C/c3cccc(OCc4csc(C)n4)c3)CC2)cc1 110360617 SZCZEGIOTYXDQJ-IZZDOVSWSA-N 463.603 4.838 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](c4ccc(OC)c(OC)c4)Oc4c(OC)cccc4[C@H]3C2)c1 245297597 UFKCRTAIPXIATK-IBVKSMDESA-N 462.502 4.669 10 10 JJCE O=C(N[C@@H](C(=O)O)c1ccc(Br)cc1O)OCC1c2ccccc2-c2ccccc21 642884373 GOXLSLAVGSXYCY-OAQYLSRUSA-N 468.303 4.819 10 10 JJCE O=C(NCCCCCNCc1cc(Cl)cc(Br)c1O)OCc1ccccc1 708125652 WXWPQFZLWAAEFD-UHFFFAOYSA-N 455.780 4.994 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)C(C)(C)C 1705869796 FKNRUSQGPUSFLS-UHFFFAOYSA-N 481.666 4.744 10 10 JJCE COc1ccc(N2CCN(C(=O)CCCOc3ccc(Br)cc3Cl)CC2)cc1 1861870500 IXLQSEMNZSJBPE-UHFFFAOYSA-N 467.791 4.619 10 10 JJCE CCOC(=O)c1c(NC(=O)Cc2csc(-c3cnccn3)n2)sc(C)c1-c1ccccc1 1865785792 NDTLMQXTQYXYFR-UHFFFAOYSA-N 464.572 4.995 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](N)Cc2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 1866005013 IAJFYIITHSEUDM-QGZVFWFLSA-N 491.382 4.920 10 10 JJCE COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1866083720 IQEAUQCIKOTYTR-UHFFFAOYSA-N 455.448 4.887 10 10 JJCE COCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419779 CERZKHXNHWQJRP-UHFFFAOYSA-N 488.544 4.539 10 10 JJCE CC[C@@H](C)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873424762 VUSQRFPSAXGZMO-LJQANCHMSA-N 498.627 4.936 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2079957029 MFDZBTPYNZXOOY-SFHVURJKSA-N 468.335 4.720 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 2297307952 MFLWQXIXHSHUSH-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE N=C1C(=Cc2ccc(Br)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 2297630485 AEGFMMXHZWIWST-UHFFFAOYSA-N 459.369 4.878 10 10 JJCE O=C1C(=Cc2cccc(I)c2)SC(=S)N1CNc1cccc(F)c1 2313501801 FOGYJRJGPZYSDC-UHFFFAOYSA-N 470.332 4.701 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1 2313548785 FVCTUYKUAYSNBR-UHFFFAOYSA-N 470.525 4.948 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 2313682656 IARUHKRNOANUOH-UHFFFAOYSA-N 458.902 4.741 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@@H](C)C(=O)O)C1=O 2323693379 KYINRRIAEJSZLR-QMMMGPOBSA-N 477.917 4.804 10 10 JJCE O=C(O)c1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(O)=NC2=S)cc1 1101146 IAOOORGJKLHLOD-PDGQHHTCSA-N 496.342 4.610 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 14475668 VPXPDMLFLDXHQE-ISJBWFOZSA-N 491.569 4.648 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)c1 33330312 FIXMLAKARUDZJK-GHVJWSGMSA-N 491.638 4.884 10 10 JJCE O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 33526254 OPFMQJSXUJBFSR-CYVLTUHYSA-N 468.648 4.973 10 10 JJCE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 39990452 MXQLWIGMOUWVIR-POKCEJIYSA-N 486.707 4.922 10 10 JJCE O=C(Oc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1ccc(Cl)cc1 83306142 KSCSVSNGVQMGLE-LSCADSNKSA-N 459.976 4.939 10 10 JJCE COc1ccc(Cl)cc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526415777 GHUVJPBOCCMDQH-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE CCOc1cccc(CNc2cc(I)cc(I)c2)c1O 690334048 OZBIAAMJBMYMAQ-UHFFFAOYSA-N 495.098 4.612 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O 1559697634 FXYVIZVYFJHVGD-IBGZPJMESA-N 454.876 4.720 10 10 JJCE Cc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 1858130238 GKSRCOSFPFNDCV-BJMVGYQFSA-N 471.479 4.704 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1OC 1858594120 MCCDUXDGMGQQSH-OMNSNBSWSA-N 454.617 4.742 10 10 JJCE CCOc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)cc1OCC 1860714887 AWHKBJRDDBAYTJ-UHFFFAOYSA-N 471.779 4.724 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])c(F)c3)c3ccccc23)SC1=S 1860827058 PYUGKVTZYKYWMX-RGVLZGJSSA-N 499.545 4.803 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(O)ccc3c2=O)sc(C)c1-c1ccc(C)c(C)c1 1866407619 CQLPIAQBIRFRFB-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867112989 JNXCYPUZPPZLQZ-CJAUYULYSA-N 498.579 4.888 10 10 JJCE CCCCCCC(=O)Oc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874737422 YSYJKJUZNHHLRO-UHFFFAOYSA-N 452.595 4.966 10 10 JJCE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1963192026 UGFHVVLQTKOJRZ-HFJWLAOPSA-N 458.558 4.962 10 10 JJCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2053511216 JZLBNAFOCPGKDB-UHFFFAOYSA-N 488.594 4.609 10 10 JJCE CCN(CC)c1ccc([C@@H](N)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106860210 ATJVJMKOMDUJHP-SHQCIBLASA-N 452.643 4.702 10 10 JJCE CCOC(=O)COc1c(C=C2SC(=S)N(c3c(C)cccc3C)C2=O)cccc1OC 2293740285 DBHJXVSZKUDRFY-UHFFFAOYSA-N 457.573 4.660 10 10 JJCE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296539340 PKPXQJRFNGCHHN-UHFFFAOYSA-N 486.018 4.553 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C 2297415334 HYKFOFWCPWIGEQ-SANMLTNESA-N 491.569 4.779 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c(OC)c1 2313541424 HEEQDHLSOQDKIA-UHFFFAOYSA-N 495.988 4.596 10 10 JJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313681535 HIYQWVAAERYAEJ-UHFFFAOYSA-N 454.483 4.509 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15034880 BWRQNTJEALJGAW-IZILLXMLSA-N 451.525 4.512 10 10 JJCE CN1CCN(CCCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1 20902535 ZPELVPBRBKOEJY-UHFFFAOYSA-N 470.661 4.781 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2cc(OC)c(OC)c(OC)c2)cc1 205965210 GQSWSAFSPASYPR-LFVJCYFKSA-N 491.519 4.997 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC[C@H](CN2CCCCCC2)C1 728530316 KIKNEUBNBREWMY-DSPRMBBKSA-N 491.748 4.844 10 10 JJCE CC(=O)c1cc(F)cc(CN(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c1O 1171555169 UZTJGFSHXHMFEO-UHFFFAOYSA-N 457.546 4.531 10 10 JJCE Brc1ccc(-c2nnc(N3CCSCC3)n2CCCSc2nccs2)cc1 1286267443 QOXDMZUYECLUCI-UHFFFAOYSA-N 482.498 4.900 10 10 JJCE O=C(Nc1nc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cs1)OCc1ccccc1 1860398750 ZQBZOQVEXZGDOD-UHFFFAOYSA-N 483.505 4.920 10 10 JJCE CCOc1ccc(Cc2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1 1872798413 WGPRSNWBMLYKDA-UHFFFAOYSA-N 470.573 4.523 10 10 JJCE Cn1ccc2c([C@@]3(C(=O)O)C[C@@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cccc21 1952693789 XFVMOIVYMIIRDX-LSYYVWMOSA-N 452.510 4.812 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2079857213 YSHDAWZFZOQJFM-AWEZNQCLSA-N 486.350 4.676 10 10 JJCE CC(C)(C)OC(=O)NC[C@@]1(NCc2cc(Cl)cc(Br)c2O)C[C@H]2CC[C@H]1C2 2188293721 UTSIONGKDFKFEN-SIFORAMQSA-N 459.812 4.981 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2295924435 ZMGBNGACLPCZKM-UHFFFAOYSA-N 477.951 4.574 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCc1ccccc1 2314769122 UIIDDLODJLJESP-UHFFFAOYSA-N 464.406 4.958 10 10 JJCE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314837170 PDAJNOYWNPQUDG-LBPRGKRZSA-N 451.400 4.900 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccccc4O)S3)[C@H](c3ccccc3O)C2)cc1 2314951923 NRJDACDHMUNDBF-NRFANRHFSA-N 471.538 4.928 10 10 JJCE CC[C@@H](N)Cc1cnc(Sc2cc(I)ccc2Br)s1 2338408942 PTQHLDUDYVHPQR-SECBINFHSA-N 469.211 4.941 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(OC)c3)c(Br)c2)SC1=S 33307271 BBWPHPDJRUCWES-LICLKQGHSA-N 478.389 4.898 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2 36557438 DEXMDWCHDHHQBO-ISJBWFOZSA-N 491.569 4.948 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cc(-c4ccc(C)cc4)no3)C2=O)cc1 40324400 HSTPYSQUFVZBEQ-XKZIYDEJSA-N 477.611 4.866 10 10 JJCE COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)cc1 58962678 KWLUIHPNDCWPLR-STZFKDTASA-N 459.527 4.552 10 10 JJCE CC1=NN(C(=O)Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)C(=O)/C1=C/c1ccc(O)cc1 101122598 SGXIDOYWNZZUNI-UDWIEESQSA-N 495.926 4.925 10 10 JJCE CC(C)N1C(=O)/C(=C\Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O 103840180 NWYYMXZFMUWXIA-WQLSENKSSA-N 456.713 4.935 10 10 JJCE Cc1cc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c(C)n1-c1cccc(Cl)c1 109941802 FCYYLMQSIHNQLO-HXUWFJFHSA-N 464.997 4.697 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 250213587 NDMAIPWWWKFWPN-DVSDUFGPSA-N 453.926 4.984 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 526220150 XMSWMOOCPLFTFG-HSZRJFAPSA-N 463.486 4.571 10 10 JJCE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 526470885 DVMMMORSVCJZFU-NRFANRHFSA-N 451.500 4.782 10 10 JJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679256 DBJAMSGRZVCUAF-UDWIEESQSA-N 491.887 4.863 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)sc(C)c1-c1ccc(C)cc1 1866114672 XHSNWPFHYYXSPP-JOCHJYFZSA-N 489.597 4.986 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866261698 BEWRCIIEZCQSCX-GHMZBOCLSA-N 468.369 4.958 10 10 JJCE CCCC[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640506 YORYBGBUXNHCGX-FQEVSTJZSA-N 497.507 4.637 10 10 JJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Oc4ccccn4)cc3)n2)c1 1892093388 FMYJHYRKEPNPIQ-UHFFFAOYSA-N 454.489 4.706 10 10 JJCE CC(C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 2053513664 SZFCQBDGJGFGEX-INIZCTEOSA-N 466.924 4.819 10 10 JJCE Oc1cc(Br)ccc1Cn1nc(C2CC2)c(C(F)(F)F)c1I 2079836423 BTNQATOPBIJUNR-UHFFFAOYSA-N 487.057 4.900 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2294093676 CPLCWUSXBMIXDB-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccccc1 2296193990 ZVLXFIUMODIOHR-UHFFFAOYSA-N 470.525 4.866 10 10 JJCE CCOc1ccc(-n2cccc2C=C2C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)cc1 2297346831 LBSSVIWHYFQVKK-UHFFFAOYSA-N 459.506 4.683 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2297468214 OXNRZKSRYHQGGM-UHFFFAOYSA-N 460.950 4.810 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Br)c1 2313558211 VTSVVFFJGSEYOO-UHFFFAOYSA-N 482.309 4.662 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)C(=Cc4ccccc4)SC3=S)sc2c1 2314563125 DXKHIBXNAHQMSK-UHFFFAOYSA-N 455.586 4.535 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OC)c3)SC2=S)cc1 2314932987 QVQIVCKRAOSCSK-OAHLLOKOSA-N 486.615 4.799 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)C(=Cc3cccnc3)S2)cc1 2314951770 JYEANYSZCZKVQD-QHCPKHFHSA-N 453.571 4.969 10 10 JJCE CC(C)CCOC(=O)[C@@H](C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945372 CFHUCFOYUGZAJJ-MRXNPFEDSA-N 488.631 4.858 10 10 JJCE CCCC[C@H](NC(=O)C=C(C)c1ccc(CC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329499738 BEXPGGGETNELSJ-MHZLTWQESA-N 477.649 4.685 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2Cl)N3)CC1 14477009 JOPBITQMUYGSLO-SAHWJRBASA-N 478.445 4.756 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15040201 VLKYUUVLIWKXKY-UNOMPAQXSA-N 466.544 4.696 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1 20238709 LHRZFBBGFUGXOJ-FZFSNDCFSA-N 453.480 4.673 10 10 JJCE O=C(O)c1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccccc1 33286235 IQRUHTBIEWHPTI-XSFVSMFZSA-N 458.495 4.635 10 10 JJCE COc1ccc(OCCCn2cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1 33379935 OACUEHQUUPVLEZ-DHPBROCDSA-N 458.543 4.896 10 10 JJCE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)ccc1Cl 39836010 NLSSOYRHOWHTOR-MHWRWJLKSA-N 457.964 4.588 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCCCCC2)SC1=S 39989874 CBBZHZDYTZAVTL-HKWRFOASSA-N 472.680 4.820 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 54451801 QZRCITYIUBLPDI-MHZLTWQESA-N 490.669 4.881 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 102687085 JHSWLIJPKXYPAM-LDADJPATSA-N 451.573 4.652 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccc(Br)cc3)C(=O)N=C2S1 103473298 DPPWTOZOOOFGPM-ARFHJRQPSA-N 499.390 4.936 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OCC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526237699 MQXIOIFCXAKTFW-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c1 526500886 LRICBQPAOUKROM-MHZLTWQESA-N 485.584 4.655 10 10 JJCE Cc1ccc(CN2C(=O)N/C(=C/c3c(Cc4ccccc4)nn(-c4ccccc4)c3O)C2=O)cc1 1082761647 ZFNVZUMMXYHHDB-KOEQRZSOSA-N 464.525 4.570 10 10 JJCE CCN1CCc2nc3c(C)cccc3c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2C1 1859616592 SCTFQXCHBOJBBL-UHFFFAOYSA-N 475.548 4.949 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc4ccccc34)CC2)cc1 1862237113 HAXOKRDBWDAONB-GDLZYMKVSA-N 493.607 4.538 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)C[C@@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867948285 LFYOGTPOSOTRAB-DHIUTWEWSA-N 471.649 4.885 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)C[C@@H](C)C4)nc(-c4ccccc4)n3)CC2)cc1 1867971650 DWDUNJXJTZCENU-FGZHOGPDSA-N 457.622 4.961 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873166081 BILPCUUZSKYKEG-DEOSSOPVSA-N 490.003 4.796 10 10 JJCE O=C(O)CC=C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951695108 IGDGJSNYNJWBSE-SFHVURJKSA-N 459.498 4.579 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(CN)c2I)C(C)(C)C)cc1C 2079982828 YIGWGNIJQWFBLP-GOSISDBHSA-N 453.368 4.782 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)CC1CCCC1 2200970237 JAZWYCKOCXIFIW-QFIPXVFZSA-N 468.594 4.753 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])cc1I 2225801157 SBGCXSQWHNTUDQ-ZIAGYGMSSA-N 471.299 4.599 10 10 JJCE CN(C)N=Nc1ccc(S(=O)(=O)N(C(=O)C=Cc2ccccc2)C(=O)C=Cc2ccccc2)cc1 2293273348 PRBZBDMKTXSLLA-UHFFFAOYSA-N 488.569 4.718 10 10 JJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 2296555043 MCVREEXONQZWJT-UHFFFAOYSA-N 465.849 4.791 10 10 JJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 2296711322 MSVUDSLMPBRDPM-UHFFFAOYSA-N 453.564 4.834 10 10 JJCE CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OCC 2296909407 NUYVNXJCIRFFIF-UHFFFAOYSA-N 487.350 4.596 10 10 JJCE Cc1ccc(C)c(OCCOc2cccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 2297310337 BQNMZJOCCURQFC-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1OC 2297349579 FXQZMLJKOAZCPF-UHFFFAOYSA-N 477.007 4.977 10 10 JJCE CCCCOc1ccc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OC 2297352415 ISZCECQPMOQILL-UHFFFAOYSA-N 462.424 4.921 10 10 JJCE COC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2313499094 KOKQNGYVBVWTEJ-UHFFFAOYSA-N 480.605 4.520 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837916 YEBHLWKAKXHOQG-NSHDSACASA-N 481.477 4.842 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 1213460 LFKWHOZPEUOXAL-GZTJUZNOSA-N 488.135 4.933 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCc4cccc(C)c4)c4ccccc4n3)CC2)cc1 25141946 DQKATEGZOZYTJT-UHFFFAOYSA-N 466.585 4.808 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3cc(C)ccc3C)C(=S)N=C2O)c(Br)cc1O 38181805 AYVLKHMAAHJRFX-ZSOIEALJSA-N 475.364 4.842 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC(C)CC2)SC1=S 39990020 YZSOQPDSNTYKDW-ZHZULCJRSA-N 472.680 4.676 10 10 JJCE CN(Cc1cc(O)nc2ccccc12)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 103040515 NMWQOJPQUCWVJL-UDWIEESQSA-N 498.029 4.844 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCc3nc(-c4ccccc4)cs3)C2=O)cc1 205975801 WGGOIOIVEPMJHY-DEDYPNTBSA-N 495.651 4.726 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526350780 GLKYDJCGDPPOIG-XMMPIXPASA-N 458.514 4.605 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526392417 JRPGAJVWWREQQI-RUZDIDTESA-N 490.512 4.521 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526415440 FMGAZALCVNUOQW-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE Cc1cc(CCNC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c(C)n1-c1ccccc1 729587774 RGAMYMVZBDSICT-HSZRJFAPSA-N 458.566 4.778 10 10 JJCE CC(=O)c1cc(F)cc(CN2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1O 1473166964 AGRCABHNMPHARB-UHFFFAOYSA-N 452.501 4.774 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)n(-c4ccccn4)n3)CC2)cc1 1862340480 SXOLOPDWGJCSLB-UHFFFAOYSA-N 473.964 4.559 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)C[C@@H](CNC(=O)C(F)(F)F)c3ccccc3)cc2)cc1 1865983097 IHTNYGPCXJQGCM-KRWDZBQOSA-N 457.452 4.852 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)sc(C)c1-c1ccc(C)cc1 1866114673 XHSNWPFHYYXSPP-QFIPXVFZSA-N 489.597 4.986 10 10 JJCE Cc1cc(C)c2oc(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2c1 1866297361 DWBNLZBAQWTEQI-DEOSSOPVSA-N 461.606 4.741 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCc1cccc(F)c1 1871065981 DJSFECGGEIILNX-UHFFFAOYSA-N 459.521 4.914 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873165082 BDLWYNFMBKIBCW-UHFFFAOYSA-N 489.591 4.918 10 10 JJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccs2)C1=O 1873167582 NVWONZKFJAOZJU-UHFFFAOYSA-N 490.673 4.757 10 10 JJCE CN(C)c1ccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)cc1 1927497861 FZJZMNKKAANETL-IGKIAQTJSA-N 462.521 4.929 10 10 JJCE O=C(NC[C@@H](NCc1cc(Cl)cc(Br)c1O)C(F)(F)F)OCc1ccccc1 2029881812 QGHGKXVUSDCQFD-OAHLLOKOSA-N 481.696 4.755 10 10 JJCE COc1cccc([C@@H]2N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]3C[C@]23C(=O)O)c1O 2308895447 NFEBUKTXJOZNIH-XIPSWSLHSA-N 471.509 4.798 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1 2313621601 YODXLADTSLJAKR-UHFFFAOYSA-N 456.498 4.715 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S 2314650528 MANONAWJUJLXIX-ZDUSSCGKSA-N 486.354 4.773 10 10 JJCE Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)cc1 20032455 ZZDAOGBJMYFMEJ-WPTKKBASSA-N 484.375 4.992 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 33781127 MHFDLLGSWGGFSW-AQTBWJFISA-N 456.637 4.749 10 10 JJCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)c(Cl)c4)ncn3)CC2)cc1 65133729 MSNMSJPWFIVGBF-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=N)N12 104373033 HNKVPFWZAMWLJQ-JJJWLNEWSA-N 470.601 4.933 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)c1 526619967 QKUYDNVBWJCMCZ-JOCHJYFZSA-N 457.404 4.971 10 10 JJCE O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1O 728195863 IWBWDVMFXVFBTP-IBGZPJMESA-N 473.504 4.898 10 10 JJCE O=C1/C(=C\N2CCCCC2)SC(=S)N1c1cc(Br)cc(Br)c1 1084004820 NHPDSJQJRYYILY-UKTHLTGXSA-N 462.232 4.904 10 10 JJCE COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)c1 1084575116 ONPKXJPGPSMRGR-LZYBPNLTSA-N 452.351 4.578 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OCC 1858594360 VZXXYYYBVLJXDP-VRMLFSPKSA-N 486.659 4.997 10 10 JJCE CCc1ccc(OCCCC(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c1 1865933744 MSWOLWUQANQKIV-DEOSSOPVSA-N 499.453 4.876 10 10 JJCE COc1cc(Cl)c(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866556397 RATUAORPSKULBH-QFIPXVFZSA-N 497.039 4.522 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)c4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969384 BBWSFWWVKRXMEB-QFIPXVFZSA-N 496.615 4.653 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccccc4O)c4ccccc34)[C@H]21 1873858487 AVJFIAVJIQZYQV-MHZLTWQESA-N 466.541 4.523 10 10 JJCE CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2297554522 CGPJUWOJQDCFTB-SFHVURJKSA-N 474.648 4.968 10 10 JJCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(F)c1 2297624768 MFALAAPZOLMRLB-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3cc4cc(C)ccc4nc3N3CCOCC3)SC2=S)cc1 2314647899 LCAGGCJZUGILJJ-UHFFFAOYSA-N 491.638 4.790 10 10 JJCE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 2314740956 PFGWPJBSUQWUMF-INIZCTEOSA-N 471.600 4.735 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S 2314769800 VKPISRMOPLDTQX-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)cc2OC)SC1=S 2314770026 YHDXYQUCECMUOD-HXUWFJFHSA-N 457.573 4.600 10 10 JJCE Cc1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314827665 JZVJLKGMHXGSJF-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)cc(Br)c1O 2332110911 QBKPJQPJFOLJQH-UHFFFAOYSA-N 494.345 4.792 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2cc(Br)ccc2O)[nH]1 2362651760 PTNSUDFELDCTMW-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2533285 NIXCPSQFRBRKCX-QZQOTICOSA-N 483.590 4.573 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)N(c3ccccc3)C2=S)cc1 20176485 ODRQTPXRGNEBCE-CJLVFECKSA-N 488.565 4.851 10 10 JJCE CCOc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N1CCCC1 23080477 JGOLODWTSOPWEZ-UHFFFAOYSA-N 485.581 4.669 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1OC 33334429 JDJMHOBQMNEATM-JWGURIENSA-N 485.540 4.918 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 33351754 SPYZKUQYQNETSK-RGVLZGJSSA-N 478.643 4.781 10 10 JJCE CN1C(=O)/C(=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21 33432433 MJIVWPMJAMEWQY-FMQUCBEESA-N 460.621 4.830 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCCc2ccccc2)SC1=S 40066705 ITFLDZFGYIBCON-QNGOZBTKSA-N 480.659 4.704 10 10 JJCE O=C(NN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S)c1ccc(Br)cc1 40940412 SZJAIJBBRKHTFV-RIYZIHGNSA-N 471.760 4.788 10 10 JJCE CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313280 IJJCYVLVLXGUSJ-VWLOTQADSA-N 491.613 4.546 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526342560 CKDKRLHPWXXWHS-XMMPIXPASA-N 477.513 4.959 10 10 JJCE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)c1 526470888 DVMMMORSVCJZFU-OAQYLSRUSA-N 451.500 4.782 10 10 JJCE COc1cc(C)c(C)cc1S(=O)(=O)N(CC(C)C)c1cccc2c1C(=O)c1ccccc1C2=O 586214579 HYDCRWXUECCUEP-UHFFFAOYSA-N 477.582 4.939 10 10 JJCE CCc1nc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)sc1C 1860347395 NWTCNYRCVHPRPC-RUZDIDTESA-N 485.613 4.754 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860645648 CJJMUFDEBCDTSK-IBGZPJMESA-N 454.592 4.714 10 10 JJCE Cc1ccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c(Br)c1 1860714966 GEOHFVHUXYQNEF-UHFFFAOYSA-N 476.596 4.997 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Br)c4)n(CC(C)C)n3)CC2)cc1 1862353956 QQHGXYUXWIVIIL-UHFFFAOYSA-N 497.437 4.940 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1-c1ccc(C)cc1 1866041060 VBVFIBKYUFSPFM-GOSISDBHSA-N 478.570 4.819 10 10 JJCE Cc1ccc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CC2)cc1C 1868140013 GYENUWQNFOYKGL-XMMPIXPASA-N 480.564 4.717 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418295 BKKPUUQCYKMJDR-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE Cc1cccc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1O 2024803044 YFGSIGNSNYSCNE-RUZDIDTESA-N 458.558 4.880 10 10 JJCE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194936901 GHBPNDVTEGSBCQ-BWSICMMHSA-N 466.670 4.633 10 10 JJCE CCOc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 2297364207 NESLMDQXGQECGL-UHFFFAOYSA-N 453.907 4.735 10 10 JJCE O=C1C(=CNCCCNC2CCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 2297592668 GSTQCFJEGUXFEH-UHFFFAOYSA-N 459.619 4.833 10 10 JJCE CCCOC(=O)c1ccc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)cc1 2321591051 IGGKXFJRLYJJDO-UHFFFAOYSA-N 457.602 4.985 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NCCc3ccccc3)nc12 1464614 PJIAFPPFLAITQK-XSFVSMFZSA-N 478.643 4.515 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461044 LJRSBYDULWTWGI-MCLIINAXSA-N 469.379 4.890 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(F)cc1 15044149 ZCSVWAHCDLVKMV-UNOMPAQXSA-N 460.552 4.637 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 33780469 JLLNKSUKZIGJOX-CRRKTRLDSA-N 469.563 4.934 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C\c3ccccc3Cl)O4)CC2)cc1 96714411 GZBODQKODDUPOK-KOEQRZSOSA-N 489.959 4.683 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526334278 WYLGUTYEZIPGNY-RUZDIDTESA-N 490.512 4.521 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526618376 BMNLRKRGCSBDAV-JOCHJYFZSA-N 473.403 4.590 10 10 JJCE O=C(Cc1ccccc1)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858897684 MSUWSSWTQUKMLR-UHFFFAOYSA-N 490.515 4.932 10 10 JJCE CC[C@@](C)(NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145894 ZMYDGPDSGHGSOZ-XVXFIRIFSA-N 490.431 4.649 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873167956 DSSNAEKLXUBZLY-IBGZPJMESA-N 457.574 4.641 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2053504424 FNNWTXLCUPCRNR-GOSISDBHSA-N 480.523 4.752 10 10 JJCE Cc1cccc(Cn2nc(C(=O)OC(C)(C)C)c(I)c2C(F)(F)F)c1O 2079185753 BGGAWYQYOGMVTM-UHFFFAOYSA-N 482.240 4.524 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 2293152686 MLYJQALAWVQLEE-UHFFFAOYSA-N 498.807 4.967 10 10 JJCE Cc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1C 2296753636 UAUKIHKCGHPTQN-UHFFFAOYSA-N 454.573 4.652 10 10 JJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl 2296757653 MEZMZMVPNZEBJX-UHFFFAOYSA-N 464.905 4.855 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc(OC)c1OC 2321692918 OIQPPIWPWRVZBG-UHFFFAOYSA-N 456.589 4.718 10 10 JJCE C[C@@H](O)CN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323701839 YUGYZIVAWDHTDP-OAHLLOKOSA-N 473.019 4.956 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)cc1OCC 2323774959 GPHXWEYRCMAMRL-UHFFFAOYSA-N 473.616 4.945 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2509083 KBARPUZLQFRCNG-ZIPFOMIPSA-N 486.018 4.695 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 39835987 CQGNVMFCPVJILR-SFQUDFHCSA-N 455.536 4.546 10 10 JJCE CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OCC 40940110 AIJURNFJJGTHBQ-WQRHYEAKSA-N 462.980 4.684 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 47133699 HFZPLBSHESXQMT-NDENLUEZSA-N 490.610 4.764 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)c1 83327758 QJPWTVWQSCXUCI-CJLVFECKSA-N 487.468 4.868 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1cccc(C)c1 206835405 WDYPKHSKEUKAJS-STZFKDTASA-N 471.600 4.737 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCCC)C2=O)c2ccccc21 206872829 JTJZKNZULFGIMZ-QZQOTICOSA-N 474.648 4.918 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccccc1O 210498900 JXPVCYCQVYIZID-SFQUDFHCSA-N 464.515 4.614 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526217380 UMSOFZRRJRZMFS-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)Cc3ccncc3)CC2)sc(C)c1-c1ccccc1 1860633400 MOLHWTTWCWKYDC-UHFFFAOYSA-N 491.613 4.715 10 10 JJCE COc1cc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(Br)c1OC 1861863529 VOIZESBBTYMCJB-ZHACJKMWSA-N 492.325 4.894 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)ccc1OC(=O)c1ccccc1 1865675974 KBXMANLQCIOMIE-LGMDPLHJSA-N 467.403 4.658 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)N2CCCCC2)cc1 1865918652 DAWGQFXXLGBYAV-MHZLTWQESA-N 499.611 4.734 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)COc2cc(Cl)ccc2Cl)N2CCCCC2)cc1 1868031579 KOKLJNOFKAHPMH-NRFANRHFSA-N 450.410 4.782 10 10 JJCE CCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870972566 HEEFBBQXKOFYSB-UHFFFAOYSA-N 462.594 4.909 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873170103 OGPDWRAHLFUYST-DQMJNTIXSA-N 461.606 4.521 10 10 JJCE CCOCCCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422730 MGRYUAZPNAIGMR-UHFFFAOYSA-N 485.584 4.915 10 10 JJCE Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc12 1891714097 VMRDFXSFBNGCKV-UHFFFAOYSA-N 454.364 4.508 10 10 JJCE CCN1CCc2cc([C@H](O)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163072628 BTUXTYDGLYZKQY-VWLOTQADSA-N 465.638 4.662 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2296715378 VUKBKCKBMCIYSW-MRXNPFEDSA-N 464.616 4.615 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2296835640 DXTUISJJJQVOHB-GOSISDBHSA-N 480.523 4.752 10 10 JJCE Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)cc1 2297312687 WBXRHMAHEFKXST-UHFFFAOYSA-N 478.643 4.781 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314507649 KWLYRNLEKZKVNE-CQSZACIVSA-N 469.563 4.934 10 10 JJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C1=O)cn2C 2321635566 NVLABLPZZYVWIS-UHFFFAOYSA-N 455.517 4.510 10 10 JJCE Cc1cccc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CCOCC3)nc12 38732279 UFHUEFBMYHZOID-XLNRJJMWSA-N 475.639 4.824 10 10 JJCE O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1ccncc1 40867458 GPQBOGCSHMOOGF-MOSHPQCFSA-N 481.986 4.860 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4sc(C)nc4c3)C2)sc2c1CCCC2 170580022 JZSSRWAYWKVRSJ-AWEZNQCLSA-N 483.615 4.713 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1 586194875 VOFQHJAQJGQWBN-UHFFFAOYSA-N 471.509 4.997 10 10 JJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865032003 SUZJRLLYCUWJAM-QFIPXVFZSA-N 490.604 4.715 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)ccc1OCC(=O)N(CC)CC 1865677529 NUFMOMRNCKZRTA-NKFKGCMQSA-N 498.583 4.562 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCOc5ccccc54)nc(Cc4ccccc4)n3)CC2)cc1 1867947145 RKAOBXDAZZUPIB-UHFFFAOYSA-N 493.611 4.933 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873164366 YHFZNQVLKHJMRO-KBMIEXCESA-N 468.601 4.938 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)CC2)cc1 1874719305 CFDDMJQXTAHYOA-UHFFFAOYSA-N 492.019 4.925 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1c(O)cccc1[N+](=O)[O-] 1953032073 WOAYLKCZRXLSKJ-YADARESESA-N 474.469 4.697 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)C(F)(F)CC1 1966028664 OXUFVMHILNJNBG-AWEZNQCLSA-N 469.754 4.933 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(CN)c2I)cc1C 2079999474 JNJXDTMZBYTCHN-IBGZPJMESA-N 451.352 4.536 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 2294208508 ONKCJGWBOSTKME-UHFFFAOYSA-N 474.767 4.724 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1 2294253476 YMKQNBZVQLJFLM-UHFFFAOYSA-N 452.919 4.748 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 2296398117 USNPSZGFNZTMHU-UHFFFAOYSA-N 469.472 4.504 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(Br)ccc21 2296714231 LVRJHKKWOCGFHE-UHFFFAOYSA-N 453.427 4.967 10 10 JJCE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296715262 APGPGBWJRQYGQK-MRXNPFEDSA-N 479.627 4.659 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 2313543809 KVGCCIQUJOOBJU-UHFFFAOYSA-N 489.597 4.559 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 2314764892 OOQOJRRRWUGRIA-UHFFFAOYSA-N 456.589 4.810 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314831270 HGPRORSDAOAOQY-UHFFFAOYSA-N 460.602 4.545 10 10 JJCE Cc1ccc(CNc2cc(Br)cnc2Br)c(O)c1Br 2352678853 HCFLSIMCSWQCJI-UHFFFAOYSA-N 450.956 4.995 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 14473029 QZCJTAFRBCZBHC-KLQLHJPASA-N 453.926 4.984 10 10 JJCE CCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 34859497 AWUBLGIAHXHFPO-QURGRASLSA-N 479.627 4.742 10 10 JJCE O=C(Nc1nccs1)/C(Cc1ccccc1)=C1/SC(=S)N(Cc2ccccc2)C1=O 39793763 OGODIYMLZZTXEC-ISLYRVAYSA-N 451.598 4.639 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1 83302458 WXDXPDOEPLFAFE-MOHJPFBDSA-N 471.582 4.900 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 83318208 UJCBNMNMLVOHIK-PXLXIMEGSA-N 476.510 4.578 10 10 JJCE O=S(=O)(c1ccccc1)n1c(-c2ccc(N3CCOCC3)cc2)cc2c(Br)ccnc21 95936948 FDDSUNNGAQVDJL-UHFFFAOYSA-N 498.402 4.539 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526226670 JCHNEDAANGXGQD-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526228116 YRDUQDUOIHIXJM-RUZDIDTESA-N 460.530 4.836 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 1614472177 NIWGNJSJZZMLKX-URXFXBBRSA-N 456.627 4.554 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(=O)OC(C)C)c2)sc(C)c1-c1ccc(C)cc1 1860748546 FZIMCLGHUNOJAU-UHFFFAOYSA-N 494.569 4.961 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)n(C(C)(C)C)n3)CC2)cc1 1869969919 AHNRPVDBZGANLG-UHFFFAOYSA-N 492.668 4.523 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873419193 SYVIWNJOTDZYHQ-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CCC[C@H](C3)N4C(=O)OC(C)(C)C)ccc(N)c2C1 2182307651 JORGWDIHKQUTLK-HDICACEKSA-N 472.630 4.540 10 10 JJCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 2294124607 DUMAQZFFYMDAIC-UHFFFAOYSA-N 491.931 4.509 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(F)cc1 2294741866 QZFXZDOUSFQWKC-UHFFFAOYSA-N 474.488 4.697 10 10 JJCE CCOc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 2297317056 ASHSMXWURXMWEJ-UHFFFAOYSA-N 463.515 4.560 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 2314831268 HEIGJNJDCWGHMQ-UHFFFAOYSA-N 472.588 4.507 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccc(F)cc3)CC2)cc1 9228385 DUSVEMUIVQCJBM-UHFFFAOYSA-N 487.531 4.724 10 10 JJCE CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14552234 WPKZKIAVIHRAQO-AEHXPESNSA-N 456.633 4.692 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15046320 DAFBFGXVSCHKLQ-FFCYNSPCSA-N 465.369 4.817 10 10 JJCE CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 33689325 XAIJBQMKDJUXJC-KAMYIIQDSA-N 467.041 4.764 10 10 JJCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989705 KUWDOKRFEGPRBC-RDPIHGLISA-N 484.691 4.819 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc(OC)c1OC 59862396 VNHHEQFVDMEESL-RIYZIHGNSA-N 489.322 4.598 10 10 JJCE CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)C1 96480294 YYYJRPMPZDBSKY-KMUCBOENSA-N 480.586 4.520 10 10 JJCE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 719961418 ISOQEWAAHKXZTP-QFIPXVFZSA-N 464.654 4.910 10 10 JJCE COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 1084216796 HUCSYHZDXHYTEG-LDADJPATSA-N 479.330 4.894 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](c1ccco1)N(C)C 1705479188 JHWKQIBGGPOHMD-CYFREDJKSA-N 456.594 4.706 10 10 JJCE COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C1=O)cn2C 1860084395 MZSVBLHLGOOSFU-UFWORHAWSA-N 455.517 4.510 10 10 JJCE CC[C@](C)(NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862145892 ZMYDGPDSGHGSOZ-CHKMETFLSA-N 490.431 4.649 10 10 JJCE CCN1N=C(c2ccc(OC)cc2)/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 1865671589 JSMPOROBEIWFON-WOJGMQOQSA-N 473.367 4.903 10 10 JJCE Cc1cc(Cl)cc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866430538 KELWNZDNBIKOPX-QHCPKHFHSA-N 467.013 4.513 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873164775 RIWDXSUADSKECH-UHFFFAOYSA-N 459.565 4.946 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC(C)C)cc2)C1=O 1873164879 XAQKXCXLXDDOSA-UHFFFAOYSA-N 499.611 4.939 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079007221 OZTNFGSSMILZNT-IBGZPJMESA-N 480.346 4.945 10 10 JJCE Oc1c(Br)cccc1Cn1nc(C2CC2)c(C2CC2)c1I 2079783325 JRZPLADGIOABSX-UHFFFAOYSA-N 459.125 4.759 10 10 JJCE CC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1NC(=O)OC(C)(C)C 2163168348 YDOCXQNPWYOMLE-DYESRHJHSA-N 474.646 4.692 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2194917522 RDOUVBFXZGAUOS-SRVGMEOJSA-N 465.638 4.860 10 10 JJCE COCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 2296665737 XTESAXMRKWNYTC-UHFFFAOYSA-N 458.996 4.565 10 10 JJCE CCCOc1cc(N(CC)CC)ccc1C=C1C(=O)NN(c2ccc(Br)cc2)C1=O 2297319997 XLYRCSWKTHYLFR-UHFFFAOYSA-N 472.383 4.546 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 2297333823 WRPOJIPZKCOUFJ-UHFFFAOYSA-N 454.533 4.611 10 10 JJCE CCCC[C@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330103641 PHNDBBCAIHNKDI-VWLOTQADSA-N 484.040 4.776 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 14471861 BQKVEJUXVDZPDL-RQTOMXEWSA-N 461.543 4.900 10 10 JJCE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(-c5ccccc5Cl)o4)C(=O)N=C3S2)CC1 20356704 GZWKAOHJGHIWIK-FAXLCBLLSA-N 453.955 4.909 10 10 JJCE COc1cc(OC)c(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1Br 33318042 ILCYDGAVXFTWQA-NVNXTCNLSA-N 459.296 4.590 10 10 JJCE O=C1N=C(Nc2ccc(Br)cc2)S/C1=C1/C(=O)Nc2ccc(Br)cc21 34222218 OTGBYQNTYGUXTG-BUHFOSPRSA-N 479.153 4.616 10 10 JJCE Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)C(=O)N=C3S2)cc1 107169700 UILMYFIRYNNIKE-WPTKKBASSA-N 457.471 4.831 10 10 JJCE Cc1ccc(O)c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210497904 NWWCRHDGELXUHP-GZTJUZNOSA-N 464.515 4.532 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)c1 526619968 QKUYDNVBWJCMCZ-QFIPXVFZSA-N 457.404 4.971 10 10 JJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(Cl)cc(CO)c1O 687754986 ICAKTHIALBHBIJ-QFIPXVFZSA-N 467.905 4.592 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)C[C@@H]1C(F)(F)F 1168522974 IWFDIYNYAFFYJZ-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE C[C@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1858688062 UJYZKMFMTOHHRU-LBPRGKRZSA-N 461.305 4.988 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nnc(C5CCC5)s4)c4ccccc34)[C@H]21 1860347319 JMLBGRQGBLOCEM-VWLOTQADSA-N 498.612 4.546 10 10 JJCE CCOC(=O)C1(C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)CC1 1866168620 AURAMXLSHJUUAH-UHFFFAOYSA-N 466.353 4.554 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426316 TUFPKZQVIBXFLW-UHFFFAOYSA-N 465.557 4.560 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873928928 OSASNDBUTIIRMO-UHFFFAOYSA-N 493.523 4.820 10 10 JJCE O=C(O)CCC[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602605 QVXKCYIATDHYLD-GOSISDBHSA-N 461.514 4.803 10 10 JJCE COc1ccc(O)c([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952794392 PDFRDKBWGGVZJU-SQJMNOBHSA-N 459.498 4.798 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079041725 XZXOLKWDHVCMIS-QGZVFWFLSA-N 453.368 4.647 10 10 JJCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=O)c2I)C(C)(C)C)c(O)c1 2079852723 ADFJFMRCAUJNQO-KRWDZBQOSA-N 470.351 4.947 10 10 JJCE CN(C)c1ccc([C@@](C)(CO)N2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 2235408975 XRGFTOBFURDELS-WJOKGBTCSA-N 499.655 4.917 10 10 JJCE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1 2297470034 KVUFHERRKIBXFK-UHFFFAOYSA-N 499.596 4.973 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2314413967 MHFDLLGSWGGFSW-UHFFFAOYSA-N 456.637 4.749 10 10 JJCE CCSc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)s1 2314578641 WZWGTSPEZLMZED-UHFFFAOYSA-N 485.081 4.924 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)c1 2321717971 ZHLTYQUTNZPFFU-UHFFFAOYSA-N 457.602 4.985 10 10 JJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(Br)c1 1188512 RKSSGBMGIQPBAY-SXGWCWSVSA-N 464.362 4.508 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(Cl)cc2Cl)N3)CC1 14477573 XQGJUWNQPIJFCY-YZZKKUAISA-N 478.445 4.756 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOc1cccc(OC)c1 20608729 YBEUWEGVVDMLMM-KGENOOAVSA-N 459.589 4.773 10 10 JJCE CCc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 32964251 PRIBWZCQIOWIHF-DHPBROCDSA-N 455.543 4.738 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33438188 NEAFLVJGIYNQFN-XMHGGMMESA-N 470.664 4.631 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33490839 MQXWIRYDYOUWPW-LDADJPATSA-N 456.637 4.542 10 10 JJCE Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 34848427 SYLHJIBIQVJMLJ-DMNVVODESA-N 493.545 4.636 10 10 JJCE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990093 JZANSNFLWODUTH-RDPIHGLISA-N 484.691 4.819 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(F)(F)F)[C@H](C)C1 1359384442 YXZIUIGCIYVWEY-GOSISDBHSA-N 488.558 4.752 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(C)ccn2)sc(C)c1-c1ccc(OCC)cc1 1860748346 ZOATYTLERQRZPW-UHFFFAOYSA-N 467.547 4.580 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccnc2Cl)sc(C)c1-c1ccc(C)c(C)c1 1860748737 JLUONCAXGJKLMR-UHFFFAOYSA-N 457.939 4.753 10 10 JJCE CC[C@@H](C)OC(=O)[C@@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827096 RHYYKQRHKSGEGW-QCSDQTOZSA-N 474.604 4.610 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 1865671173 NXQBWWITSZGJLG-WQLSENKSSA-N 470.245 4.600 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)c1 1873418891 FPRKIZWRJKCKTQ-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE Cc1cc(C=CC(=O)N(Cc2nc(O)c3ccccc3n2)C[C@H]2CCCO2)c(C)n1-c1ccccc1 2040476440 ZAJWWYVTWRJCLJ-XMMPIXPASA-N 482.584 4.964 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2053515754 INYVQNWPLNOJQV-KRWDZBQOSA-N 476.627 4.647 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079033316 SVJYZLUCETZYML-KRWDZBQOSA-N 454.352 4.681 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CCC3)c(CN)c2I)cc1C 2079999566 KPTJANLPHYMGHI-IBGZPJMESA-N 453.368 4.782 10 10 JJCE CC1(C)CN(Cc2ccccc2)[C@H](CNCc2cc(Cl)cc(Br)c2O)CO1 2194660498 CVGUSYLJFVRYSN-GOSISDBHSA-N 453.808 4.577 10 10 JJCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2296732190 GMMSIVBKPCYJGI-UHFFFAOYSA-N 482.606 4.611 10 10 JJCE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414354 WZWIILGYWOTALY-UHFFFAOYSA-N 482.606 4.755 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 2314836316 CTXSQRKKRMBYTF-LBPRGKRZSA-N 466.506 4.942 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O 14459523 CGTUPXZIFAKIDH-LZCXECNNSA-N 476.598 4.748 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 16922724 HJYLUEGOTXXICX-ATVHPVEESA-N 492.525 4.606 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 33780470 JLLNKSUKZIGJOX-QCUKBLKESA-N 469.563 4.934 10 10 JJCE C[C@H](Oc1cccc2ccccc12)C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 39920760 RCUZJJLAMHOVIM-UZTOHYMASA-N 480.568 4.971 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 207316851 YMXBTTFQVRIUTP-QGOAFFKASA-N 464.572 4.583 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1 226658760 UJDDTMOQAJLNAM-JQYIIUTOSA-N 451.636 5.000 10 10 JJCE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1084014767 CWWCWHLERYMQEB-YBFXNURJSA-N 469.328 4.521 10 10 JJCE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 1318620307 BCZRMNFCWSVWKY-FQEVSTJZSA-N 472.994 4.953 10 10 JJCE C[C@H](NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)c1ccccc1 1860347533 UXWNONNUKSOVKD-HMILPKGGSA-N 464.569 4.666 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc(C)c(C)s2)sc(C)c1-c1ccc(F)cc1 1860768051 SVDHYPMHUMINSG-UHFFFAOYSA-N 461.540 4.690 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)c3c[nH]c4ccc(I)cc4c3=O)cc2)cc1 1866154929 RDLXVEVNZBWLHK-UHFFFAOYSA-N 495.320 4.558 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1868877151 LXFLIZMGWGYRFC-RUZDIDTESA-N 498.067 4.866 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4sccc4C)c3)CC2)cc1 1874722683 JPXAJODSXYBQJE-UHFFFAOYSA-N 463.603 4.712 10 10 JJCE C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccc(N(C)C)cc1 2140602297 MKTPPNZKWJSGLX-BWKNWUBXSA-N 452.643 4.525 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1 2296826823 WRVZGEBTXXDIPQ-UHFFFAOYSA-N 497.379 4.758 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc(C)c1 2314769895 WRMKVACEEHYXSS-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE Cc1ccc(CNc2ncc(I)cc2Br)c(O)c1Br 2352634185 RGPUTMQRNKTWTO-UHFFFAOYSA-N 497.956 4.837 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14470940 NDMAIPWWWKFWPN-VLMPBXDWSA-N 453.926 4.984 10 10 JJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 33781125 QKODEVYBPDUHAX-JXAWBTAJSA-N 456.637 4.749 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)c1 33932699 NMSMRCSWLGNCTL-SFQUDFHCSA-N 477.405 4.688 10 10 JJCE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)c1 59271046 NORLVMYTVDMAGX-MHZLTWQESA-N 455.514 4.799 10 10 JJCE CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2N2CCOCC2)cc1 526501864 QSJVUUQPROQBAG-AREMUKBSSA-N 473.548 4.786 10 10 JJCE CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1615477304 JKYPCCBOMXJVMW-KRWDZBQOSA-N 451.567 4.694 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592775 XHAZUHAHFAGXGJ-KOMLCTQHSA-N 471.600 4.975 10 10 JJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)c3ccc(C)nc3)c2C(=O)OC)cc1 1865768003 KNLWGJVMBYTTNF-UHFFFAOYSA-N 495.601 4.713 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873167129 TVVFHXLLLUFABM-UHFFFAOYSA-N 459.565 4.801 10 10 JJCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(Br)cc1O 1951739159 LNVYSNYZZZEAKK-XMMPIXPASA-N 482.330 4.993 10 10 JJCE CN1CCc2cc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]3C(=O)O)ccc21 1952742427 KOKGYUYVIJVOEB-RBJSKKJNSA-N 454.526 4.517 10 10 JJCE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079023123 NNLKFWJWLWUIPF-QGZVFWFLSA-N 454.352 4.681 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079048211 RQELNGMNAYENMT-CQSZACIVSA-N 462.234 4.527 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CCC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079999337 WQJLOUPXPIDWNH-SFHVURJKSA-N 479.362 4.566 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C(=O)OC)c1I 2080002892 FIIKEUHGZWPGLN-AWEZNQCLSA-N 468.335 4.648 10 10 JJCE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2296730200 GDVIPNQQURZDML-UHFFFAOYSA-N 479.583 4.612 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1nccs1 2297293647 ZUXNIMGWYCBTBS-UHFFFAOYSA-N 468.423 4.526 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1OC 2297358068 JDJMHOBQMNEATM-UHFFFAOYSA-N 485.540 4.918 10 10 JJCE Cc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(O)c1 15834418 DKXZUAOBCCEPFG-QHCPKHFHSA-N 498.970 4.877 10 10 JJCE COc1ccc(N2CCN(c3oc(-c4ccccc4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 39844631 RVVPWJBHKZOYDP-UHFFFAOYSA-N 475.570 4.510 10 10 JJCE Cc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 39920685 JJEMXGGWYRVELE-QFIPXVFZSA-N 479.378 4.735 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccccc1OC 103704192 WUVSWKOZTCFTRQ-WDWHQZNOSA-N 479.558 4.719 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526327598 IXNBECOXDUBIQH-SANMLTNESA-N 490.556 4.844 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526381082 FJHZBWFHYXQQIM-SANMLTNESA-N 490.556 4.844 10 10 JJCE CC(=O)N1Cc2ccc(NC(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)cc2C1 1621254553 JYNNWRIBAVUSND-UHFFFAOYSA-N 452.352 4.971 10 10 JJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864020390 XWWQXAGHCZOHEA-NRFANRHFSA-N 496.995 4.500 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865678085 SHDRFZFJWITUOQ-UDWIEESQSA-N 463.877 4.793 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@@H](C)C(=O)NC2CCCC2)sc2c1CC[C@H](C(C)(C)C)C2 1866238465 YXBGLUSNLVCVMD-OAGGEKHMSA-N 462.656 4.955 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421035 CSYUITQMINHPGC-UHFFFAOYSA-N 456.590 4.546 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2040469762 LTXRSCHBSWACGA-UHFFFAOYSA-N 478.643 4.659 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(C(N)=O)c2I)C2(C)CC2)cc1C 2079999335 WQJLOUPXPIDWNH-GOSISDBHSA-N 479.362 4.566 10 10 JJCE CC=CC(=O)N1c2ccc(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 2293662181 BMQIGURNACNDBF-UHFFFAOYSA-N 489.640 4.772 10 10 JJCE COc1ccccc1N1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 2296474064 AIGZGLDROBKEKV-UHFFFAOYSA-N 467.550 4.530 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(OC)cc1 2297347353 VTAGAPMYTFUPDY-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE Cc1ccc(OCCOc2ccc(Br)cc2)c(C=C2SC(=S)NC2=O)c1 2297624944 KWYRFOQODICJRK-UHFFFAOYSA-N 450.379 4.704 10 10 JJCE CCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OCC 2314769557 RWTPZNZZDZYZLA-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)c(OCC)c3)SC2=S)cc1 2314935211 NRJJXYPUKAOULP-CQSZACIVSA-N 473.572 4.742 10 10 JJCE Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 38163019 AFTUPNGZUQMZEA-YVLHZVERSA-N 457.273 4.700 10 10 JJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39990364 IGVQZYFFESGMKM-QNGOZBTKSA-N 484.691 4.963 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cc(C)c(C)cc1C 40937755 PXOBVFADUHYSJE-CIAFOILYSA-N 471.600 4.875 10 10 JJCE COc1c(Br)cc(Br)cc1C=C1C(=O)OC(C)(c2ccccc2)OC1=O 59513155 CRHGOXLDPPRRTG-UHFFFAOYSA-N 482.124 4.577 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)N=C2S1 102966098 VKROMUYEQGBONK-LQFYYXEQSA-N 480.462 4.715 10 10 JJCE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)SC1=S 206876528 VZZDXHPQDLZVCP-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 210232328 ARRGDEMOJYEEFW-ZDLGFXPLSA-N 496.478 4.657 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c1 213172448 BMAQSZZEQQKZGD-UNOMPAQXSA-N 465.600 4.961 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 226637456 WWSSEASKGPPCOT-UNKHORCTSA-N 472.607 4.616 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526332601 GLUZXCSYOKSYQT-XMMPIXPASA-N 460.486 4.512 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc(OC)c1OC 1084298997 GTZNOVQWRYYGEQ-YVLHZVERSA-N 495.420 4.746 10 10 JJCE CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1615477305 JKYPCCBOMXJVMW-QGZVFWFLSA-N 451.567 4.694 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nc5c(s4)CCC5)c4ccccc34)[C@H]21 1860345275 ZCFTUCYMORPYFI-SANMLTNESA-N 497.624 4.762 10 10 JJCE CCCCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2Cl)n1 1867979057 FJOMBCANFLNGAU-UHFFFAOYSA-N 496.055 4.731 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CC4CCCCC4)n(-c4ccccc4)n3)CC2)cc1 1869970396 PYBWOBHAPSVHEN-UHFFFAOYSA-N 474.609 4.511 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnn(-c4cc(F)cc(F)c4)c3-n3cccc3)cccc21 1874017953 ZNWASALPYMAEIN-UHFFFAOYSA-N 494.457 4.969 10 10 JJCE Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874179312 XPEZOHHQACKPEF-INIZCTEOSA-N 467.477 4.591 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3)CC2)cc1 1874751146 UQRDITBYBSFAPC-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3c(-c4ccc(C)cc4)nc4ccc(C)cn34)CC2)cc1 1891792338 CROMAWHNXDYDHW-UHFFFAOYSA-N 454.574 4.518 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccccc3O)C2=O)cc1 2293039576 OZDJISKZJCGJKX-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296705178 ZLQXMIWXSIXZOJ-UHFFFAOYSA-N 490.654 4.703 10 10 JJCE CCOC(=O)COc1ccc(C=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OCC 2297505600 JOOSTKPTFWSXFG-UHFFFAOYSA-N 476.451 4.852 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCc3cc(-c4ccccc4)no3)C2=O)cc1 2314913669 QQIKMRZHBNDXMF-UHFFFAOYSA-N 463.584 4.558 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C(=O)O)c1OC 2314928876 DBVSTHDHBUVERS-UHFFFAOYSA-N 469.462 4.827 10 10 JJCE Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15037501 GOPDRPOASYEYDP-BOPFTXTBSA-N 477.405 4.693 10 10 JJCE CC1=CC=NC2=N/C(=C(O)\N=N\C(=O)c3ccc(COc4ccc5ccccc5c4)cc3)NN12 15590291 RNPBIISDUYWHKO-XYOWVLIUSA-N 452.474 4.860 10 10 JJCE Cc1ccccc1OCCn1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c2cc(Br)ccc21 59087093 GZRAPRRCQGNYMY-WOJGMQOQSA-N 498.402 4.888 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 250794945 WUSBHBODZKWDSQ-ZMPRRUGASA-N 465.402 4.841 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526275681 HDMVFUJWRBVDQQ-XMMPIXPASA-N 475.497 4.730 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526499103 LTWBDPAGXNQXJJ-HHHXNRCGSA-N 485.584 4.655 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OCC 1860073531 ODHGNQNSTVSYCU-DEDYPNTBSA-N 457.573 4.907 10 10 JJCE C[C@@H]1CCCC[C@H]1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347434 PCDXAQBSOULRJA-VZQQDINASA-N 470.617 4.873 10 10 JJCE CCCOc1ccc(-c2csc(NC(=O)CCN3C(=O)CSC3=S)c2C(=O)OCC)cc1 1865768238 NXUATENOZRBUPG-UHFFFAOYSA-N 492.644 4.570 10 10 JJCE C[C@H]1CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccccc3)n2)CCO1 1868362703 CCXSMNAGSGTPSG-SFHVURJKSA-N 476.536 4.888 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3ccccc3)C2)n1 1868480979 IUSGMTVXSTYRSE-DEOSSOPVSA-N 476.536 4.882 10 10 JJCE CC[C@H](C)NC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870956284 GXPXHHQHAHWDHA-NRFANRHFSA-N 492.620 4.534 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420271 XMCJJPAKWBJMKS-NRFANRHFSA-N 477.511 4.743 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c([N+](=O)[O-])c1 1873423676 HKQRENCGWPEFIO-UHFFFAOYSA-N 458.518 4.911 10 10 JJCE CCN(CC)c1ccc([C@@H](N)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106860211 ATJVJMKOMDUJHP-SQHAQQRYSA-N 452.643 4.702 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1C 2296538442 PUYYKYHFODSMQI-UHFFFAOYSA-N 493.610 4.922 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 2296881323 ALXLCWLDIAZQMY-UHFFFAOYSA-N 462.980 4.674 10 10 JJCE COc1cccc(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2296881370 DHQRUUABXUKXLE-UHFFFAOYSA-N 477.405 4.688 10 10 JJCE COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O 2297336498 HIQRZYUCPXINKI-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2533018 FOJPCCSDMFYUOF-QURGRASLSA-N 479.627 4.660 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H](O)CNCc2ccc(F)cc2)c2ccccc12 13573297 WATPQMAWQGUGBL-ZKWPTUIMSA-N 482.559 4.737 10 10 JJCE CN1/C(=C/c2sc3ccc(Cl)cc3[n+]2CCCS(=O)(=O)O)Sc2ccccc21 20058582 ZQLHFENYGXZGLI-UHFFFAOYSA-O 454.018 4.661 10 10 JJCE COc1ccc(C(=O)Nc2cccc(N3CCn4c(nc5cc(Cl)ccc54)C3)c2)cc1OC 33320637 OMZAHFYZHVECKO-UHFFFAOYSA-N 462.937 4.979 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)sc2c1 208741955 VSPRAAKJRCHHLK-LICLKQGHSA-N 473.576 4.674 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(c4ccc(C)cc4)[C@@H]3c3cccs3)CC2)cc1 248095304 HZQNHJPUFGMLGC-SQHAQQRYSA-N 489.641 4.898 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1OCC 1858589369 OJPVZNOXKSYNOV-PXLXIMEGSA-N 473.616 4.945 10 10 JJCE Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1860347491 RNCFDSHXTPWHSM-HHHXNRCGSA-N 450.542 4.735 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(Cc4ccccc4)n3)CC2)cc1 1862338133 LREZQRBIDQYEHU-UHFFFAOYSA-N 482.584 4.578 10 10 JJCE COC(=O)c1c(NC(=O)CCc2cnc(N(C)C)nc2)sc(C)c1-c1ccc(C)c(C)c1 1866154098 JZIGBCPPJPNKCZ-UHFFFAOYSA-N 452.580 4.554 10 10 JJCE CCc1ccc(/C(C)=C/C(=O)N[C@@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866685028 YRIPKXLPBHPRQO-XGAHLHMBSA-N 480.564 4.961 10 10 JJCE CC[C@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866970554 BRCVGSQTXZRLSH-LADGPHEKSA-N 486.543 4.874 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCC3=CCCCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873167352 CKRJPGKJBTWZOK-UHFFFAOYSA-N 474.649 4.606 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873167957 DSSNAEKLXUBZLY-LJQANCHMSA-N 457.574 4.641 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@]1(CN)CC[C@H]1OCc1ccccc1 1881311902 ZLXUDFAQFQJGDX-SQHAQQRYSA-N 451.611 4.541 10 10 JJCE O=C(NOCCCNCc1ccc2c(c1)CCCO2)OCC1c2ccccc2-c2ccccc21 1942704574 QRXQAHODUFXGIC-UHFFFAOYSA-N 458.558 4.962 10 10 JJCE C[C@]1(NCc2cc(Br)cc(F)c2O)CCCN(C(=O)OCc2ccccc2)C1 2027854508 FSYFTBGCMSYELI-NRFANRHFSA-N 451.336 4.575 10 10 JJCE CN[C@@H]1C(=O)Nc2cc(N(CCN(C)Cc3ccccc3)Cc3ccccc3)c(Br)cc21 2034744390 XCAPNPWKGFDPGT-VWLOTQADSA-N 493.449 4.800 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2293024265 OMCYCIJCJNEGBG-UHFFFAOYSA-N 463.964 4.604 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 2294204909 RZRYTFDDUNEIHW-UHFFFAOYSA-N 498.377 4.827 10 10 JJCE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C 2294253461 WYHACCMWXUJXHT-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC(=O)c1ccco1 2297364513 QREDMBTXHQQGGX-UHFFFAOYSA-N 494.887 4.526 10 10 JJCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)c1 2297559015 BOFVHGGTDCXQIH-UHFFFAOYSA-N 457.269 4.501 10 10 JJCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2313549502 XUMLJBZSYGEFKB-UHFFFAOYSA-N 453.410 4.674 10 10 JJCE Cc1ccc(C=CC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 2327925674 RDXIDFVBHSEXIK-UHFFFAOYSA-N 468.601 4.675 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)C=Cc2cccc(Br)c2)N2CCCCC2)cc1 2329590691 SRAYOSPCPJXKSU-QHCPKHFHSA-N 456.428 4.872 10 10 JJCE Cc1c(N2C(=O)/C(=C3\C(O)=Nc4ccc(Cl)cc43)SC2=S)c(=O)n(-c2ccccc2)n1C 1203120 NAPUWMHZBIBHON-FBMGVBCBSA-N 482.974 4.515 10 10 JJCE CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 33457797 NBOJTLXQEVUKSW-YBEGLDIGSA-N 464.362 4.952 10 10 JJCE CCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33459297 XQZFNVVGPRAUOC-PDGQHHTCSA-N 456.637 4.605 10 10 JJCE O=C1/C(=C\c2c(NC3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 33781647 BEYJQUTUDBZZHC-CPNJWEJPSA-N 480.590 4.590 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1 39861757 ARRGDEMOJYEEFW-VCHYOVAHSA-N 496.478 4.657 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 59678721 LSVKSCZLQKUJRL-WQLSENKSSA-N 499.148 4.616 10 10 JJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cnn1-c1ccc2ccccc2n1 170559754 JMINYQUHSJUHIE-UHFFFAOYSA-N 458.477 4.757 10 10 JJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2)[C@H]1c1ccc(N(C)C)cc1 526480211 TZIZVIXHXHLXTD-XMMPIXPASA-N 458.514 4.605 10 10 JJCE CCCCNC(=O)[C@H](C(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606671961 HLFLSFNOMNAZHW-QZFKAFNDSA-N 455.443 4.591 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(O)cc3c2=O)sc(C)c1-c1ccc(C)c(C)c1 1866410759 WIWIYBFWFIDWBI-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866987888 FNEYUUPZKNELJT-IQMFZBJNSA-N 486.955 4.752 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873167931 CZJFCYHPBRZXQZ-SFHVURJKSA-N 487.600 4.780 10 10 JJCE CC(C)(C)OC(=O)N1CC(c2csc(=NCc3cc(Cl)cc(Br)c3O)[nH]2)C1 2201922383 ZGIZVQYWEGAQFJ-UHFFFAOYSA-N 474.808 4.633 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1OC 2293299487 AAOGPMQRTLXOES-UHFFFAOYSA-N 465.980 4.694 10 10 JJCE CN(C)c1ccc(C=C2C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1Br 2297499437 DRNHHXBDZBQUBL-UHFFFAOYSA-N 471.355 4.958 10 10 JJCE Cc1ccc(CNC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)c(O)c1Br 2380748675 GYWRHBWXLKERSS-UHFFFAOYSA-N 456.362 4.505 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(O)cc2O)N3)cc1 13639525 BCLDXINCVCUALZ-OHUGHZGNSA-N 464.543 4.734 10 10 JJCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1 33536685 LJYLZLUFEXTWCG-LANNQIRMSA-N 473.327 4.806 10 10 JJCE COc1ccc(N2CCN(c3ncnc(NN(c4ccccc4)c4ccccc4)c3N)CC2)cc1 40727737 SKFIYDHJMFULAG-UHFFFAOYSA-N 467.577 4.559 10 10 JJCE CCOC(=O)c1cccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)c1 40859654 KSRIJEPYYCLHBM-CXUHLZMHSA-N 494.388 4.746 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526395244 HQIHECSEFLJLJM-VWLOTQADSA-N 487.556 4.785 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 1860826520 FWFNRCXRYLHGOS-UDWIEESQSA-N 454.548 4.895 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970435 SDJOMMCVOWYWIH-SFQUDFHCSA-N 494.599 4.563 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(C)c(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420406 NKXVOIQVFLRNFX-UHFFFAOYSA-N 457.574 4.939 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)CC2)cc1 1874753633 WDHXSAWBJARYGJ-UHFFFAOYSA-N 471.601 4.959 10 10 JJCE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2053494139 MDHLFNOFUQDICY-UHFFFAOYSA-N 490.654 4.641 10 10 JJCE O=C1C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053497644 ASSLOZRUXVSSMR-UHFFFAOYSA-N 498.633 4.751 10 10 JJCE CC(C)(C)OC(=O)N[C@@]1([C@H](N)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163152408 SRIDYSXXYYDHLZ-NAKRPHOHSA-N 464.654 4.846 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 2297347467 UAYDQOVUOHYWKV-UHFFFAOYSA-N 481.936 4.955 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(OCc2cccc(F)c2)c1 2297350434 LXUQQBOLDFMAFN-UHFFFAOYSA-N 495.304 4.834 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 2297352887 YKERQWSSPRQJOR-UHFFFAOYSA-N 495.992 4.600 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCN(C(=O)c5ccco5)CC4)cc(NCc4ccco4)c1c23 9642000 KDFMJNVMKPWLBZ-UHFFFAOYSA-N 494.507 4.800 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1nc2ccccc2s1 34864367 GOUNHGAMJQJAHA-OQLLNIDSSA-N 477.539 4.738 10 10 JJCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 47152386 ILHFASOTTXFVGB-OKHBPPCESA-N 492.376 4.586 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2cc([N+](=O)[O-])ccc2C)cc1 205969517 LETWEVSQUWTRMB-XQNSMLJCSA-N 487.472 4.957 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)c1 526165940 PXPZLMZPOPBPRH-VWLOTQADSA-N 470.481 4.720 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526228306 GTDNNPXJUAKPHM-VWLOTQADSA-N 490.556 4.844 10 10 JJCE CCNC(=S)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OCC)C1 1860668177 WPUDPBRNHSDKCD-INIZCTEOSA-N 477.627 4.584 10 10 JJCE CCc1sc(NC(=O)CCCCCN)c(C(=O)OC)c1-c1ccc(Br)cc1 1865955224 FHBIWIWCQMJMMD-UHFFFAOYSA-N 453.402 4.984 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866240400 MLHBRVBYHLTMCU-GFCCVEGCSA-N 497.960 4.572 10 10 JJCE CCCCN1C(=O)C(NCc2ccc(C(=O)OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165777 VAUXULWSVVDHCU-UHFFFAOYSA-N 499.611 4.941 10 10 JJCE COCCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420790 VXQUTROHGJIQMO-UHFFFAOYSA-N 463.965 4.894 10 10 JJCE O=C(N[C@@]1(c2cc(F)cc(F)c2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952912743 FGXDEYHYSLHALJ-CJFMBICVSA-N 451.425 4.509 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCCN2C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106862341 SYIQQSPUJGVOPG-UKILVPOCSA-N 453.627 4.830 10 10 JJCE CC1(CNC(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163084442 BRPHBSWVBQAAIS-UHFFFAOYSA-N 474.646 4.693 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCC(C)C)nc12 2296546139 PEBVJJAAYQLLRU-UHFFFAOYSA-N 482.606 4.611 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 2297459932 ZGHRVWNBDXXTKZ-UHFFFAOYSA-N 476.558 4.563 10 10 JJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1ccccc1[N+](=O)[O-] 2297732923 DDJMNYPZUQSUAK-QGZVFWFLSA-N 451.424 4.502 10 10 JJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 2313540966 GRGRIQJWLVJBFJ-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831256 GXBYMXIJQRHZHN-UHFFFAOYSA-N 499.570 4.693 10 10 JJCE Cc1ccnc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1 6430590 INNYEIRKVDJMOC-NDENLUEZSA-N 465.351 4.653 10 10 JJCE CSc1ccc(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1 10255329 HNWAJQUOAZVOJI-UHFFFAOYSA-N 465.914 4.633 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(O)cc2O)N3)cc1 13639526 BCLDXINCVCUALZ-ZYLNGJIFSA-N 464.543 4.734 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 20236273 FDYIMZQSOQDPFO-ZWCAKHMGSA-N 467.909 4.565 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 20356308 JNCCOCQKOQNYGU-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC1=S 35446995 MNRTXIQCFSPWNS-UKWGHVSLSA-N 479.627 4.626 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(O)cc1 47152268 IKJIUKCQWSLSOK-RGEXLXHISA-N 471.560 4.701 10 10 JJCE O=C1/C(=C\c2cccc(I)c2)SC(=S)N1CNc1cccc(F)c1 59372728 FOGYJRJGPZYSDC-OVCLIPMQSA-N 470.332 4.701 10 10 JJCE O=C(NN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S)c1ccccc1O 97472320 DPADXHSCORVESV-PXLXIMEGSA-N 498.589 4.791 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1cccc(C)c1 102469010 JNEXRCNAERBGFK-VSNPKZGJSA-N 483.553 4.645 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526236402 LNFCDLJTXUAJNO-QHCPKHFHSA-N 463.486 4.571 10 10 JJCE CCCCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586673127 PRURXKXWDDZXNP-UHFFFAOYSA-N 455.514 4.978 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(Cl)s1 1857996720 BFFPMZWSJQUSHQ-UHFFFAOYSA-N 455.920 4.825 10 10 JJCE Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860596375 SSUYCBZADFXUPH-UHFFFAOYSA-N 480.564 4.580 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(OCC)cc1 1860747973 DHFXDNVKXBQXES-UHFFFAOYSA-N 497.529 4.784 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3cc(C(F)(F)F)ccc3c2=O)N2CCCCC2)cc1 1866080801 OCAWJAGXJZTRDF-QHCPKHFHSA-N 486.538 4.570 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1 1868910392 KFPPKQUAILIOLM-UHFFFAOYSA-N 496.611 4.701 10 10 JJCE CC[C@@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868947080 SIPMPQUFGACXIK-BKMJKUGQSA-N 483.628 4.598 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873424639 GSUOHCJDRJEYQQ-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163084812 HECIAGBBKXVQJF-SFHVURJKSA-N 474.646 4.788 10 10 JJCE N=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(COc3ccccc3)=NN12 2293429986 LRSKAUYIJWDAAC-UHFFFAOYSA-N 473.470 4.553 10 10 JJCE COc1ccc(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)c(OC)c1 2293934564 VDPIFHZIENTMGI-UHFFFAOYSA-N 462.453 4.965 10 10 JJCE CN(C)c1ccc(C=C2SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1 2296291971 MIEFOAFAXHTLDI-UHFFFAOYSA-N 460.525 4.564 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 2296753933 CONUCAAQGLMBET-UHFFFAOYSA-N 454.573 4.598 10 10 JJCE N=C1C(=Cc2coc3ccccc3c2=O)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 2297580435 MXMKBMYMKMTYKP-UHFFFAOYSA-N 458.543 4.629 10 10 JJCE CC1=NN(S(=O)(=O)c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314408871 SEOVDGANTCPKNA-UHFFFAOYSA-N 471.332 4.700 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314767036 CTJDVCRYDUIONP-KRWDZBQOSA-N 478.389 4.660 10 10 JJCE CCN(CC)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323784499 HHMDRINSBNTMNB-UHFFFAOYSA-N 456.633 4.817 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc4ccccc4c2)N3)CC1 14475246 IZPQJUAHBMZNOS-XFAFFCHDSA-N 459.615 4.602 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 20114750 WRPOJIPZKCOUFJ-OSIMKLFKSA-N 454.533 4.611 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)c(C)c3)ccc21 20729422 AHEPKGNNMGPEMD-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)c2ccccc21 40927991 GLFXNSIKUBZBQJ-MRCUWXFGSA-N 474.648 4.918 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCSCc1ccc(C)cc1 208737051 KDPUWPNEVNFONG-KQWNVCNZSA-N 474.582 4.777 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 214757889 GXBYMXIJQRHZHN-XMHGGMMESA-N 499.570 4.693 10 10 JJCE CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1135964614 IAUDAISHRAFLRH-UHFFFAOYSA-N 459.384 4.679 10 10 JJCE CC1CCN(Cc2nc(-c3ccc(CS(=O)(=O)Cc4ccc(N)cc4)cc3)cs2)CC1 1857849764 HQSUGVFBULVGMT-UHFFFAOYSA-N 455.649 4.739 10 10 JJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865679690 ARNNIDOPDFRYJD-LDADJPATSA-N 464.905 4.906 10 10 JJCE CCN(CC)CCCCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870791961 UOKHXQBUUURLAM-UHFFFAOYSA-N 478.637 4.697 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(C(C)C)C2=O)cc1 1873162176 JEHZEFJECJWUNF-UHFFFAOYSA-N 466.585 4.896 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165729 RNSROFYMGWISIF-UHFFFAOYSA-N 463.622 4.911 10 10 JJCE CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650437 SEGUMYOFPZGPNX-UHFFFAOYSA-N 484.604 4.656 10 10 JJCE CC[C@]1(NCc2c(Br)ccc(OC)c2O)CCCN(C(=O)OCc2ccccc2)C1 2236051098 OGKWANSBNXUHFI-QHCPKHFHSA-N 477.399 4.834 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 2293381571 QEVYTESIZOUBRX-UHFFFAOYSA-N 462.527 4.577 10 10 JJCE CCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 2296539401 UQDOFJOVCJNODR-UHFFFAOYSA-N 483.590 4.573 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O 2296755664 ZTZPFFJEDZTINA-UHFFFAOYSA-N 453.372 4.929 10 10 JJCE CS(=O)(=O)Oc1c(Cl)cc(Cl)cc1C=C1SC(=S)N(c2ccccc2)C1=O 2297356715 XSXQVUANGUNMPQ-UHFFFAOYSA-N 460.385 4.738 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCCc1ccccc1 2297617402 TVYHBNQZBUPPPW-UHFFFAOYSA-N 456.542 4.785 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OCC)c3ccccc3)C2=O)c2ccccc21 2314767434 GQWFYKSMVOVAEY-HXUWFJFHSA-N 480.611 4.709 10 10 JJCE CCOc1ccc(NC(=O)CCN2C(=O)C(=Cc3cc(Cl)ccc3O)SC2=S)cc1 2314828136 QPWPKADHXUGYID-UHFFFAOYSA-N 462.980 4.674 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314831587 NXPJFNOVKMDDAH-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccccc2Br)C1=O)C(=O)O 2314931447 OIXACARKQJFSBC-LLVKDONJSA-N 464.362 4.707 10 10 JJCE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2986675 VPGOQTBDQDPDOQ-HMMYKYKNSA-N 476.627 4.841 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641691 WWSSEASKGPPCOT-WDEBQMKVSA-N 472.607 4.616 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1O 14459522 CGTUPXZIFAKIDH-UZINWLIJSA-N 476.598 4.748 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2[C@H]2C=CC[C@@H]21 14478110 DXRZPMGWIJBZLY-ZYLNGJIFSA-N 461.543 4.900 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c3N)CC2)cc1 40727881 BIZFJDFOEHJBFZ-UHFFFAOYSA-N 478.906 4.810 10 10 JJCE COc1ccc(N2CCN(c3nccc(-c4cn(-c5ccc(Cl)cc5)nc4C)n3)CC2)cc1 72462006 AVHUYHUMNQDVQU-UHFFFAOYSA-N 460.969 4.626 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(CN2C(=O)CCC2=O)cc1 247959118 PEUDBIUKIQUHSH-MUUNZHRXSA-N 464.521 4.714 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526141974 VZSMNTKLFCPGGH-QFIPXVFZSA-N 471.868 4.965 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016489 QJQDOKRKSZIWAS-KNQAVFIVSA-N 490.604 4.668 10 10 JJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1868480980 IUSGMTVXSTYRSE-XMMPIXPASA-N 476.536 4.882 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873164365 YHFZNQVLKHJMRO-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2OC)C1=O 1873168335 RTTWMVIEUHIEFM-GOSISDBHSA-N 457.574 4.771 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCC(C)CC3)nc12 2053515615 CEILSHGKDWRDPK-UHFFFAOYSA-N 482.675 4.773 10 10 JJCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)c(O)c1 2079014025 UTKGLQWIZYIQJS-LJQANCHMSA-N 451.352 4.617 10 10 JJCE CC1(c2nn(Cc3cccc(Br)c3O)c(I)c2C(F)F)CC1 2079763605 ONOPVPYYJGAQJR-UHFFFAOYSA-N 483.094 4.993 10 10 JJCE CCN[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCN2C 2106861521 ZTYRYMRENDIZNF-BJKOFHAPSA-N 453.627 4.830 10 10 JJCE CC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1 2293163895 LJYLZLUFEXTWCG-UHFFFAOYSA-N 473.327 4.806 10 10 JJCE COc1cccc(OCCOc2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)cc2OC)c1 2293418012 XQBFUXATXFMEHE-UHFFFAOYSA-N 458.514 4.968 10 10 JJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2296546134 OWWSVTOKRIKOMA-UHFFFAOYSA-N 470.664 4.855 10 10 JJCE Cc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)cc1 2297312652 KOJVXNSENOIJJK-UHFFFAOYSA-N 488.594 4.609 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC)C(=O)O 2314931458 FRCIAOLQTKJGCW-HNNXBMFYSA-N 463.964 4.996 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1O 14457217 GILVLWOXYMGTDR-UZINWLIJSA-N 462.571 4.706 10 10 JJCE Cn1cc(/C=C2\SC(Nc3cccc(I)c3)=NC2=O)c2ccccc21 27230694 YOMVCNGVFAFYOO-MFOYZWKCSA-N 459.312 4.865 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 33807199 SOCQNKUMFRKKTL-MOSHPQCFSA-N 478.643 4.925 10 10 JJCE Cc1cc(/C=C\C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 96861249 ZAJWWYVTWRJCLJ-XYSUMVETSA-N 482.584 4.552 10 10 JJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(C)cc3)cc2)SC1=S 102828661 OAOFAELYVHTVAS-PGKOPCIWSA-N 453.585 4.852 10 10 JJCE COc1ccc(OC)c(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 205950235 JBCOZLIWIPOMIV-XQNSMLJCSA-N 458.474 4.749 10 10 JJCE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)ccc21 1463163567 GMVSIRJTGJEWER-UHFFFAOYSA-N 456.608 4.560 10 10 JJCE O=C(/C=C/c1ccc(F)cc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860562618 BJWSFJQSPQYLDR-DTQAZKPQSA-N 491.478 4.900 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NCC4CCC(C(=O)OC)CC4)ccc3[nH]2)cc1 1872740280 CWJKLWBUNRRTAS-UHFFFAOYSA-N 462.594 4.785 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873166440 PYCAKGLKNYCHQW-UHFFFAOYSA-N 484.644 4.614 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425335 YXYPABVLMSEBGS-KRWDZBQOSA-N 471.557 4.871 10 10 JJCE Cc1cccc(CNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873875198 XZLLCGRPPSJSGE-LJAQVGFWSA-N 478.596 4.803 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CCC3)c(CN)c2I)cc1C 2079986684 QEDSHWIHERWCBN-FQEVSTJZSA-N 465.379 4.926 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(=O)OC)c1I 2080043472 VHVNFBRIFDXNSF-NSHDSACASA-N 482.240 4.615 10 10 JJCE CCc1nnc(NC(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)s1 2296882062 HWGXBUWWNXRCFR-UHFFFAOYSA-N 452.652 4.562 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 2297453740 VEBJVQAWTCDYMU-UHFFFAOYSA-N 450.498 4.510 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccccc12 2297482107 IFIZZTTWTBDAPK-UHFFFAOYSA-N 470.019 4.772 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2313559491 ZBFOTMDSZNIOCV-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 2313652939 NQNDRZMMAVIQRO-UHFFFAOYSA-N 460.939 4.768 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141358 RZGZJSLTERWANX-UHFFFAOYSA-N 499.523 4.822 10 10 JJCE O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 8911343 WZUOTYFZVYHCBD-PNCZSKEESA-N 454.486 4.811 10 10 JJCE CC(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 13982336 REIMNVATVKRYOG-QURGRASLSA-N 468.373 4.714 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 15046418 QEUCSSJNEVJPCF-OTWJJXBCSA-N 496.532 4.951 10 10 JJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2Br)C1=O 16911424 GRSDEWZIZJCZGU-LFIBNONCSA-N 464.362 4.708 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(O)c1 34931684 WFZVSWQAWADSNO-LPYMAVHISA-N 492.578 4.824 10 10 JJCE COc1ccc(N2CCN(Cc3nc4scc(-c5ccccc5Cl)c4c(=O)[nH]3)CC2)cc1 39561479 AZXIRWSATLHBEY-UHFFFAOYSA-N 466.994 4.636 10 10 JJCE COc1cc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc(Cl)c1OC 57512127 SKZGAZRRTPYWNS-ZRFOIIEFSA-N 458.986 4.644 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)SC2=S)cc1OC 205773003 NSEHHPJJMXSWJR-HMMYKYKNSA-N 458.605 4.731 10 10 JJCE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1Cl 248164269 QOIMQELUCUOROX-FAWUNYRSSA-N 496.991 4.598 10 10 JJCE CC(C)C[C@@H](C(=O)N1CCn2c3c(c4ccccc42)CCC[C@H]31)N1C(=O)c2ccccc2C1=O 1858183501 FTCOQVZVRDBHSV-RPWUZVMVSA-N 455.558 4.572 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)c1O 1865671995 KEFAAXBCRAJMQM-AUWJEWJLSA-N 473.220 4.647 10 10 JJCE CC(C)(C)c1ccc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866437596 HAQJROLYEXEXCI-UHFFFAOYSA-N 450.494 4.853 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873164281 UGEVJNWLCFBQMG-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1cc(Br)cc(Br)c1O 1951597382 RGNIKZCUSOIRQC-LBPRGKRZSA-N 467.154 4.738 10 10 JJCE Cc1ccc([C@H](n2nc(C3CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2078999230 MFQMXNHHOWWGDW-INIZCTEOSA-N 454.308 4.713 10 10 JJCE CC(C)[C@H](CCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2163087401 NCUUKDYAZKDLRE-NRFANRHFSA-N 476.662 4.938 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC3CCCC3)C2=O)cc(I)c1O 2297361892 QTUMPSYNRBPRQV-UHFFFAOYSA-N 489.400 4.787 10 10 JJCE O=C(O)CCOc1ccc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)cc1 2314930401 CQDBBIXSGGRMCD-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 6172098 PWDUBRZDCNDFJV-DEDYPNTBSA-N 482.964 4.686 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 210671952 OFQKJVWWWAHDOT-MHWRWJLKSA-N 452.479 4.554 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526226818 KUTLDJAIMQIFLZ-RUZDIDTESA-N 477.513 4.961 10 10 JJCE C[C@@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccc(N2CCOCC2)cc1 920871530 BIOLRKJLIZPINH-CYBMUJFWSA-N 483.204 4.931 10 10 JJCE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 1858033827 LELGFYDJTJRTQO-UHFFFAOYSA-N 490.581 4.669 10 10 JJCE Cc1ccccc1C(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860502438 PAOQAWVVOVYCBM-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCCC3=O)cc2)sc(C)c1-c1ccccc1 1865940718 JMOMEGQYOOCJBM-UHFFFAOYSA-N 462.527 4.806 10 10 JJCE CNC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866193439 SMBKXUFPDLEAPA-JKSUJKDBSA-N 493.423 4.764 10 10 JJCE CCOC(=O)CCOc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870875773 FPFQIPMEBSMGDO-UHFFFAOYSA-N 493.604 4.699 10 10 JJCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476923 LOQINZJKZVYRGK-UHFFFAOYSA-N 495.631 4.601 10 10 JJCE COc1cc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951961395 HLJLOQHFJWECAQ-NRFANRHFSA-N 463.486 4.551 10 10 JJCE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163084811 HECIAGBBKXVQJF-GOSISDBHSA-N 474.646 4.788 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2163089302 JPNGTDXSXQMSCM-ROUUACIJSA-N 474.646 4.644 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S 2293031288 RLFYTKHCVIGYPF-UHFFFAOYSA-N 478.935 4.503 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 2297352651 JNCCOCQKOQNYGU-UHFFFAOYSA-N 489.601 4.645 10 10 JJCE CCOc1cc(Br)c(C=C2SC(=S)N(Cc3cccnc3)C2=O)cc1OC 2297559777 HZFJLXXKCSCRBX-UHFFFAOYSA-N 465.394 4.653 10 10 JJCE CCCOC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314759589 CXVNCMVGUDMRMY-UHFFFAOYSA-N 480.611 4.538 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 11591358 RTCOTBKXSWUSAQ-VWLOTQADSA-N 497.473 4.525 10 10 JJCE COc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)c(C(=O)O)c1OC 16906372 VOPOGSFSLFFZHC-VGOFMYFVSA-N 453.303 4.791 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 33723217 OEHJGWMSYCMERM-RGEXLXHISA-N 468.648 4.829 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4cccc(Cl)c4Cl)c3[N+](=O)[O-])CC2)cc1 40611183 YJPSCSIRRHBWBK-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)c1 40859656 XCOVYAVLQJTEPC-CXUHLZMHSA-N 464.362 4.737 10 10 JJCE CCN(CC)c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(O)c1 59198299 ZDDLBWJCIPQSRL-YVLHZVERSA-N 458.312 4.508 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 102975773 DXTUISJJJQVOHB-YNGKYYQNSA-N 480.523 4.752 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCCCC(=O)Nc2nncs2)C1=O 1081155578 XYCZGLZFQCNWMD-OKBBDPFXSA-N 458.634 4.885 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(F)cc1 1083885904 OJPNBVXIGDZTNF-BKUYFWCQSA-N 474.488 4.697 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1cccs1 1705480534 WHLQOQRNIXSWMX-HFJWLAOPSA-N 459.619 4.780 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cccc5ccccc45)cc3)CC2)cc1 1872723603 UPHYLLWBEQAIJO-UHFFFAOYSA-N 488.609 4.938 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078994697 PKZGMWJUOORVNY-QGZVFWFLSA-N 466.319 4.555 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2293039653 XCTMUWMKPHBVIO-CYBMUJFWSA-N 452.351 4.774 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C)cc1OC 2332139325 UEGQTSZZZJGJIB-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)=O)c(OC)c1)N2 14469145 RTGWGBLORGYGOY-OHGMFUDRSA-N 470.591 4.524 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 47133654 WRNKVXVZCYRDSC-UYRXBGFRSA-N 494.598 4.592 10 10 JJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NC2CC(C)(C)NC(C)(C)C2)cc1 205962954 KVLHERPZYLMRSB-HAVVHWLPSA-N 464.585 4.758 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 210721120 UCHSAQZROBDBOA-RCCKNPSSSA-N 486.615 4.810 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(C)c4)o3)C2=O)cc1 1084610904 AZJYARAZZWLOHW-LDADJPATSA-N 481.302 4.693 10 10 JJCE C[C@@H]1CN(C(=O)CCN2C(=O)/C(=C\c3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 1772724881 AHMQMUATQOKZDF-BNKSZWPGSA-N 488.675 4.625 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(COc4cccc5c4OC(C)(C)C5)c3)CC2)cc1 1872847231 AWSPKRNMUDEEJD-UHFFFAOYSA-N 472.585 4.950 10 10 JJCE COCCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167641 QMJYPALOPIYUAX-UHFFFAOYSA-N 461.606 4.691 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(Cc3cccnc3)C2=O)cc1 1873419185 SMEKOJDTQDEKGY-UHFFFAOYSA-N 492.535 4.610 10 10 JJCE Cc1cc(C(=O)COC(=O)C=Cc2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2 2042442056 SCLBYQHAPQTREP-UHFFFAOYSA-N 460.511 4.872 10 10 JJCE CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2296882474 WCTKFJMLDONRNI-MRXNPFEDSA-N 477.991 4.992 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 2297459955 FDKAAOXZBGFPNU-UHFFFAOYSA-N 459.571 4.585 10 10 JJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2318684229 VMFFXTODRQJALS-KRTXAFLBSA-N 464.790 4.509 10 10 JJCE CCN(CC)Cc1ccc(C=C2SC(=S)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 2318756622 OWDASTMTGZAERU-UHFFFAOYSA-N 457.577 4.851 10 10 JJCE Oc1c(F)cc(Br)cc1CNc1cc(F)c(I)c(F)c1 2366929694 FREDMSWWPFECQO-UHFFFAOYSA-N 458.015 4.789 10 10 JJCE O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1Cc1ccc(F)cc1 6975220 XIEOKVNMXFPYBU-OMCISZLKSA-N 452.326 4.718 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2ccccc2c1 33317042 IOKWORLDPQXEPK-CIAFOILYSA-N 462.552 4.799 10 10 JJCE O=C(O)Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)c2ccccc21 33457332 VUUAWNGVAMGNSY-AUWJEWJLSA-N 474.325 4.704 10 10 JJCE C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H](CC)CCCC)C1=O 33498163 IKUIQRJKZDHSBQ-IYWFSZBXSA-N 456.637 4.710 10 10 JJCE COc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)sc2c1 39875031 YFAZWPWZTSSSQZ-PXNMLYILSA-N 476.004 4.798 10 10 JJCE CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCC)C2=O)c2ccccc21 40938202 MSMXXBPDNOORCK-VXPUYCOJSA-N 460.621 4.528 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526327804 JRQBCENLTYFORE-VWLOTQADSA-N 477.513 4.961 10 10 JJCE COc1ccc(OCCN2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 1858587013 MSLDWMDSCWDMBG-SFQUDFHCSA-N 450.379 4.738 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCCC2=CCCCC2)sc(C)c1-c1ccc(F)cc1 1860758677 KHQQPLNLEHMKAL-UHFFFAOYSA-N 458.555 4.985 10 10 JJCE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C)c1-c1ccc(Cl)cc1 1865767917 IIGJUPWJWFJEPX-UHFFFAOYSA-N 483.036 4.743 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(N(C)C)cc3c2=O)sc(C)c1-c1ccccc1 1866423813 PPSVZFUXTMOUGN-UHFFFAOYSA-N 461.543 4.670 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)C[C@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994195 LMQXSUZWDWCKBP-VXKWHMMOSA-N 487.648 4.970 10 10 JJCE Cc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874179307 XLMWISXUYPRPRA-INIZCTEOSA-N 467.477 4.591 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(CO)c2I)C2(C)CC2)cc1C 2079987067 RMMWLUKGEAFUOV-GOSISDBHSA-N 452.336 4.569 10 10 JJCE CCN1CCc2cc([C@@H](C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)NC)ccc21 2106860268 RAAMXTBGANLGTG-BJKOFHAPSA-N 453.627 4.830 10 10 JJCE Cc1cc(C)cc(OCCOc2cccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c1 2293541157 LKOBEPIFSQEQRH-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 2294094874 BNUUQJSXMMXUFY-LBPRGKRZSA-N 477.742 4.946 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S 2296731196 CRBOPXMBBMDQRU-UHFFFAOYSA-N 451.573 4.797 10 10 JJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 2296928189 ZNBMWPYADCBZSN-UHFFFAOYSA-N 459.889 4.598 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 2296928325 GAECNLAKEDYSNO-UHFFFAOYSA-N 457.269 4.928 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352646 IWVXZLPJZSFBFV-UHFFFAOYSA-N 489.601 4.583 10 10 JJCE Cc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)N(c5ccccc5F)C4=O)o3)[nH]c2c1 2313559963 DBOSFCZEAUIPSI-UHFFFAOYSA-N 478.530 4.586 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2314650457 IDMPUSMYGBVPNC-CYBMUJFWSA-N 476.626 4.964 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1cccnc1 2314735867 HMCHYBFCDDLHSB-UHFFFAOYSA-N 481.986 4.860 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)SC1=S 2314768932 MQBQRZJYRJYUOG-OAQYLSRUSA-N 471.600 4.990 10 10 JJCE COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2 14461302 BHSFQANEFHCRNR-HYFFOGBASA-N 457.368 4.748 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc4ccccc24)N3)CC1 14464012 OEMAUOSXKADPAZ-DPPGTGKWSA-N 459.615 4.602 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(OC)c(OC)c2)cc1 27521336 XSCOZJNGEWSOQG-CJLVFECKSA-N 458.514 4.946 10 10 JJCE O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)o1 33321798 FPJXRMDDZDEFOV-BOPFTXTBSA-N 481.258 4.914 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)ccc(N)c2C1 383794865 XMLKRTPEHNXZJV-FGZHOGPDSA-N 462.638 4.520 10 10 JJCE C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C1 586710231 VKLOKIZHIKLSOF-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE C[C@@H]1CCCN(C(=O)C2CCN([C@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)CC2)C1 917636486 GLJNUCSQNRKSSO-NLFFAJNJSA-N 487.604 4.704 10 10 JJCE CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 1645135266 XHVIXRRRVQFSGK-KRWDZBQOSA-N 454.571 4.654 10 10 JJCE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSc1nccs1 1705847401 RVCBFXBAPHUFJF-INIZCTEOSA-N 464.661 4.611 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)sc(C)c1-c1ccc(F)cc1 1860645992 IVPRWVRPWWEKFC-KRWDZBQOSA-N 460.571 4.872 10 10 JJCE COc1ccc(OCCn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860827417 XLKOZMNPQKWHMY-PXLXIMEGSA-N 496.610 4.795 10 10 JJCE CCCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1Cl 1862313422 XFQMNYKNKORIRH-UHFFFAOYSA-N 452.986 4.839 10 10 JJCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCCCCCC1)=C(N)O2 1864019625 NVQLJHUQPSWPBP-QHCPKHFHSA-N 496.652 4.878 10 10 JJCE C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867017879 SQDLMVJHEOKDHU-AFMDSPMNSA-N 494.591 4.954 10 10 JJCE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714333 NWXYIRSUNVFHPV-AOYPEHQESA-N 483.628 4.516 10 10 JJCE Cc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c([N+](=O)[O-])c1 1873932457 TXNCTEKEFVXCAL-UHFFFAOYSA-N 493.523 4.820 10 10 JJCE CCN(CC)c1ccc([C@@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2106834106 QWNFADLFFJKPGP-SHQCIBLASA-N 453.627 4.736 10 10 JJCE O=C(O)COc1c(Cl)cc(C=C2SC(=O)N(c3ccccc3)C2=O)cc1Br 2294014058 WJYSYKNMSIAKAW-UHFFFAOYSA-N 468.712 4.807 10 10 JJCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 2296701633 PPYDWJPOFVMIFX-NRFANRHFSA-N 481.595 4.694 10 10 JJCE CN1C(=O)C(=Cc2cccc(OCCOc3ccc(Br)cc3)c2)SC1=S 2297306658 UYKFAEKHLGBLPZ-UHFFFAOYSA-N 450.379 4.738 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 2297347585 KNZNDBQMMVDCAD-UHFFFAOYSA-N 469.856 4.547 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297357218 YCTHOJJUYUFQIG-UHFFFAOYSA-N 456.423 4.903 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 2313557492 DWWZONXSEVYOJP-UHFFFAOYSA-N 455.239 4.515 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OCC 2314767053 CYIKATDJHBHPPQ-NRFANRHFSA-N 471.600 4.990 10 10 JJCE C[C@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1)C(=O)O 2314929378 LWKXOPUDSSXGLL-NSHDSACASA-N 464.362 4.707 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)/C(=C/c4ccc(C)cc4)SC3=S)sc2c1 39875023 ZHNCUNWVNUWHMY-WQRHYEAKSA-N 469.613 4.843 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226669670 NSRINMXZOQSNGX-RNHFSVANSA-N 454.592 4.838 10 10 JJCE CC(C)CCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586632013 KXXYHUWHRKAVQJ-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC[C@H](CN2CCCCCC2)C1 728530318 KIKNEUBNBREWMY-SRMPHAGFSA-N 491.748 4.844 10 10 JJCE COCC(=O)Nc1cccc2c(OC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cccc12 1858775333 ZGEOILIIEPBTOZ-UHFFFAOYSA-N 480.476 4.811 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cn(C)c4ccc(OC)cc34)SC2=S)cc1 1860075910 XHQZVBDDXVNEEM-RGVLZGJSSA-N 452.557 4.769 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864013817 GXLGZTMIOSXKME-XMSQKQJNSA-N 484.641 4.827 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](N)[C@H](C)CC)sc(C)c1-c1ccc(Br)cc1 1865950334 RLVUKHPPOPCKQV-DIFFPNOSSA-N 453.402 4.975 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC(C)C)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873167035 PLBNUYSSKMUXNB-UHFFFAOYSA-N 466.585 4.896 10 10 JJCE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc([N+](=O)[O-])ccc1O 1951664058 STPWAMQPSGIEES-QFIPXVFZSA-N 462.458 4.745 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)cc1 2293999036 RJACRGPBKHWAGJ-UHFFFAOYSA-N 490.585 4.871 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 2294143799 JSEWACXCNGQTCZ-UHFFFAOYSA-N 479.533 4.917 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 2296714454 ZTAMDRVTGLTOKN-UHFFFAOYSA-N 489.416 4.596 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 2296881372 DKCHGTLMMWWRBC-UHFFFAOYSA-N 452.557 4.561 10 10 JJCE C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2296885273 MCEQQYNNIWERJB-CQSZACIVSA-N 470.019 4.770 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O 2297505122 KOUSXAPYOCCVLL-UHFFFAOYSA-N 450.379 4.955 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 2313558374 ZHJXTTXPWXTBOG-UHFFFAOYSA-N 478.451 4.609 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3O)C2=O)cc(Br)c1O 2321624739 JHGITKOIIUJCAN-UHFFFAOYSA-N 452.351 4.583 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2)c1C 1133607 HULSLQWEKZWNPH-HZHRSRAPSA-N 472.541 4.989 10 10 JJCE CN(CCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)S(=O)(=O)c1cccs1 11967605 LTSHOUQUUIKAAU-AREMUKBSSA-N 494.638 4.913 10 10 JJCE CCN(CC)c1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 33330003 SWKGBPDEPRSSKL-XSFVSMFZSA-N 458.605 4.964 10 10 JJCE Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(O)=NC2=S)cc1 33344884 YKZYODZYYUEFLT-XKZIYDEJSA-N 498.564 4.531 10 10 JJCE C[C@H](C(=O)O)N1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 34861961 WSKRUZNUXFQXAF-HOBGCTPMSA-N 479.366 4.589 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 210232404 WKWYSZDFNZJCGN-ZDLGFXPLSA-N 496.478 4.657 10 10 JJCE Cc1ccc(C(=O)O)c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210497313 WEGPBRMONYLFSP-GZTJUZNOSA-N 492.525 4.525 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Cl)cc(Cl)c1O)N2 226728930 KUIPQBYSRUHPOM-DYXJYMTDSA-N 495.428 4.983 10 10 JJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C1 257657201 VEXJAUPCKQHHLQ-OYRHEFFESA-N 490.625 4.879 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 526157842 BLFXISNGQOUXFK-SANMLTNESA-N 488.540 4.598 10 10 JJCE C[C@H]1CN(c2ccc(CNC(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2F)C[C@@H](C)O1 728745776 LJTAEWDLGRHAAX-NJYVYQBISA-N 480.628 4.565 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1CCCCO1 1705574892 RCBORMDVZVVIEU-VWLOTQADSA-N 455.606 4.775 10 10 JJCE Cc1cc2oc(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2cc1C 1866296129 CSFYZSCKOVYVJH-DEOSSOPVSA-N 461.606 4.741 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(NC(C)=O)ccc3[nH]2)sc(C)c1-c1ccccc1 1866520246 ZISAIMBKCPUPAB-UHFFFAOYSA-N 475.526 4.562 10 10 JJCE CCOC(=O)CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870876363 IXEXOJVKPHNDDG-VWLOTQADSA-N 491.588 4.715 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2040469279 IZAJWGYPNCPOCR-GOSISDBHSA-N 490.654 4.641 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2078994049 KXHDNMIXCPEJGH-SFHVURJKSA-N 480.346 4.945 10 10 JJCE O=C1SC(=Cc2cc(Cl)c(O)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2294010937 SNIANHRLHPTUGH-UHFFFAOYSA-N 469.700 4.953 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 2294279945 JYXUXLVTWMVBFQ-UHFFFAOYSA-N 467.550 4.530 10 10 JJCE CCCOc1cc(Br)c(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 2296908831 VNOUGPUJEOPUKF-UHFFFAOYSA-N 473.323 4.751 10 10 JJCE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2nc3ccccc3s2)C1=O 2297349743 SOQIUYXBJNNSAF-UHFFFAOYSA-N 455.586 4.535 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)o1 2297499329 SIYAYXZRVBGYNV-UHFFFAOYSA-N 455.521 4.881 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 2314507412 JQGHXOOSFHCRMW-UHFFFAOYSA-N 495.626 4.731 10 10 JJCE Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(CCC(=O)NCc3ccc(N(C)C)cc3)cnc21 32999305 QKVTYWXZAFTMSZ-UHFFFAOYSA-N 492.023 4.538 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1 33563719 YODXLADTSLJAKR-JWGURIENSA-N 456.498 4.715 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OC(C)C 40928088 YBKQIOKOIYHNGI-RGEXLXHISA-N 451.610 4.807 10 10 JJCE Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 83326936 DYFZLGQPZZIWPH-IIZXMOLESA-N 465.596 4.994 10 10 JJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 213210328 UVSUWRXGZZSCKF-UNOMPAQXSA-N 465.600 4.961 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526376201 HGYMVLAXYLHPFU-RUZDIDTESA-N 477.513 4.961 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)c(F)c2F)[C@H]1c1ccc(O)c(O)c1 526621291 ZAUGINYJYZICRF-QFIPXVFZSA-N 487.430 4.980 10 10 JJCE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)cc1O 687752902 XENGIPCJWXPENQ-VWLOTQADSA-N 453.441 4.899 10 10 JJCE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1084101540 XKXJEWOKBYHXRS-UNOMPAQXSA-N 451.885 4.861 10 10 JJCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ncc(Cl)n1C 1705731294 WDYFVVGSWRQURZ-UHFFFAOYSA-N 494.043 4.969 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1865678087 SMHURHZIJVTJRR-XDHOZWIPSA-N 463.877 4.793 10 10 JJCE CCc1sc(NC(=O)CC[C@H]2CCC(=O)N2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866204146 SIADCFNVCAISFY-CQSZACIVSA-N 479.396 4.524 10 10 JJCE C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867336732 XGXVVDMCGZWBME-BTYSJIOQSA-N 498.671 4.881 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868690380 VMVDGANAEIVOEV-VSGBNLITSA-N 491.676 4.829 10 10 JJCE COc1ccccc1CN1C(=O)C(NCC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167071 QQKHYWBIWXYZKW-UHFFFAOYSA-N 457.574 4.628 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)c1 1873419316 ZKYOHGIUJSKMMZ-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079035867 MGTMTMLSRIGISQ-CQSZACIVSA-N 494.251 4.697 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)CC)C1=O 2296547607 LHXUHAAOUZZUOU-INIZCTEOSA-N 458.653 4.629 10 10 JJCE Cc1ccccc1C=C1SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C1=O 2314831686 PWKKWGSQJDBODW-UHFFFAOYSA-N 462.637 4.518 10 10 JJCE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)ccc1OCC(=O)N(CC)CC 2332139692 HUWOJSQAMUMCDJ-UHFFFAOYSA-N 477.605 4.618 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 15039430 PVYDIYUROMLPNF-PDGQHHTCSA-N 493.006 4.683 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccco2)SC1=S 33780837 QYMSXLHRSXZJKX-PQMHYQBVSA-N 463.751 4.551 10 10 JJCE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990418 MTGLCQIWLNARDN-WCEBZYJUSA-N 486.707 4.922 10 10 JJCE COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])cc1 503904134 ZTAXYCGZXSYIMV-IONQDRQYSA-N 491.544 4.641 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526141817 HGDKUCLOVKOHBN-XMMPIXPASA-N 463.486 4.571 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526467069 ZFXNMACTSGJINM-XMMPIXPASA-N 458.514 4.605 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1O 1653761035 BYQBAXNPIQDOPL-YWZLYKJASA-N 452.776 4.956 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1[N+](=O)[O-] 1860084668 ZXLOFNOYMMYEDN-OVCLIPMQSA-N 451.323 4.772 10 10 JJCE CCCCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)CC2=O)cc1 1865921039 CMHUZSAKRMUUHH-LEAFIULHSA-N 490.692 4.792 10 10 JJCE Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1C 1866290691 KHPHJIZBYDLTJV-XMMPIXPASA-N 461.606 4.741 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873164170 PDWDQKVKXGFOBH-UHFFFAOYSA-N 477.630 4.840 10 10 JJCE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)ccc1OC(C)C 2296539418 WGMPQHZIHXHSST-UHFFFAOYSA-N 488.613 4.937 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N12 2297333791 SATBZJJHTRRWLP-UHFFFAOYSA-N 455.521 4.821 10 10 JJCE O=C1C(=Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1ccc(F)cc1 2297349396 XIEOKVNMXFPYBU-UHFFFAOYSA-N 452.326 4.718 10 10 JJCE CCCC1=NN(Cc2cc(C)ccc2C)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332105328 WVKXDFIPQKZGOK-UHFFFAOYSA-N 491.632 4.605 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3ccccc3)N=C2C)cc1OC 2332139331 URSCQXQMRXCHET-UHFFFAOYSA-N 463.578 4.524 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 20356264 YKERQWSSPRQJOR-IHRLJDSVSA-N 495.992 4.600 10 10 JJCE O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35515835 FNDQZSDYOCIQSO-STZFKDTASA-N 471.563 4.970 10 10 JJCE CCCCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 54454468 NAQKSTULMCGWIA-HSZRJFAPSA-N 472.651 4.541 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526298748 LMXJENLMPDKLQC-OAQYLSRUSA-N 453.878 4.826 10 10 JJCE CC(C)[C@@H](CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866740620 MKWPSJJHCVJMKT-UZUQRXQVSA-N 486.543 4.874 10 10 JJCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCCCOc1ccc(Cl)cc1 2293228203 FWRMTJXTKNMKNZ-UHFFFAOYSA-N 493.903 4.558 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c1 2296362865 CNMBEYAZXFHTTF-UHFFFAOYSA-N 479.583 4.532 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 2296546410 XIIBFHCGUOYAAU-UHFFFAOYSA-N 478.643 4.781 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 2297464880 WQZHHOOSDCCHNM-UHFFFAOYSA-N 491.550 4.720 10 10 JJCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2323809263 RNDHTQIMILSHKN-OAHLLOKOSA-N 454.356 4.596 10 10 JJCE O=C1N=C(O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccccc1F 1171269 REGWXVNZEFWIJI-CPNJWEJPSA-N 461.405 4.820 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21 20696131 LJRSBYDULWTWGI-KNESASJNSA-N 469.379 4.890 10 10 JJCE COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NCCCN4CCOCC4)cc2)CCCCC3)c1 33114804 QGQLIXOGMKYRHY-UHFFFAOYSA-N 487.644 4.874 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccccc3C(F)(F)F)c3ccco3)CC2)cc1 38620109 WDBSRWWKICVBDW-JOCHJYFZSA-N 488.510 4.992 10 10 JJCE COc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@H](c3ccccc3O)C2)cc1OC 65297881 AKOJZWBPQQLILY-VWLOTQADSA-N 471.601 4.925 10 10 JJCE biogenic COc1cc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 205954259 CEYGVOHNNFIYJZ-XQNSMLJCSA-N 488.500 4.758 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1cc2cc(Cl)ccc2[nH]1 1081155415 HTDZXELPMRZGMM-LDADJPATSA-N 476.048 4.833 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 1083865902 KTBQQTVVIZZPAT-BWAHOGKJSA-N 470.573 4.949 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705548222 ZRYPUJJPMHSCFF-DEOSSOPVSA-N 490.652 4.971 10 10 JJCE CC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866979286 ITZXCPUNLLWPFA-NOZRDPDXSA-N 498.579 4.744 10 10 JJCE C=Cc1ccccc1OCC(=O)N[C@@H](CCCC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265669 LYRIWDSRHFEFDN-DEOSSOPVSA-N 496.563 4.798 10 10 JJCE COCCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419922 FRYBJAWGUHZGNT-UHFFFAOYSA-N 483.490 4.951 10 10 JJCE CCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421744 OPKWGVGRNZSXPE-UHFFFAOYSA-N 458.518 4.994 10 10 JJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c1 1873423770 SBPZKYJTKPGIBF-UHFFFAOYSA-N 479.584 4.881 10 10 JJCE CN[C@@H](c1ccc2c(c1)CCN2C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2163134031 UCRNVXQWMSKSPN-LBNVMWSVSA-N 465.638 4.783 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 2293497323 YAHMXNZRBXBMAO-UHFFFAOYSA-N 494.573 4.581 10 10 JJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296715366 ULJKNQIIEFQBEH-UHFFFAOYSA-N 493.654 4.501 10 10 JJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccco3)=NN12 2297364090 XGGQEEHDQVQJOQ-UHFFFAOYSA-N 476.901 4.820 10 10 JJCE Cc1ccc(-c2ccc(C=C3SC(=S)N(CCC(=O)O)C3=O)o2)c(Br)c1 2314650389 DKYWXYYHKJRLNT-UHFFFAOYSA-N 452.351 4.693 10 10 JJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836179 BEEAVZMNDFZAIY-OAHLLOKOSA-N 481.624 4.951 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c(C)n1-c1ccccc1 8645039 RUMOSHHLINTYCN-MUUNZHRXSA-N 451.526 4.897 10 10 JJCE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(N(C)C)cc1 72413182 BXLNWLAESKHBQG-XMMPIXPASA-N 491.975 4.984 10 10 JJCE CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 205691184 XHMCIYMYOKNXQT-LDADJPATSA-N 455.561 4.732 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526434002 PMRGXUQMHXQGMT-RUZDIDTESA-N 475.497 4.765 10 10 JJCE C[C@H](Cc1ccc(Br)cc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726611862 UTLPCGLTFMZTRK-OAHLLOKOSA-N 482.369 4.950 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C)c(Cl)c4)n4ccccc34)CC2)cc1 1858349334 WOHLPHKMRDBNPM-UHFFFAOYSA-N 460.965 4.934 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O 1858587682 UODYVRXVHAQSEF-OVCLIPMQSA-N 454.342 4.704 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(C)cc1 1860655064 IIZCBQAWEVCZJM-OAHLLOKOSA-N 468.497 4.558 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)c2nccn2C)cc1 1866048846 UFWYLMJNLOZQER-LJAQVGFWSA-N 481.644 4.784 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421106 HCCZWZUVKBVXQX-UHFFFAOYSA-N 486.616 4.635 10 10 JJCE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)c1 1873425645 AHIVCZIQINJBQJ-UHFFFAOYSA-N 479.584 4.869 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)Cc4ccc(Cl)cc4)c3)CC2)cc1 1874728976 BAIDCGHYPOWWMG-UHFFFAOYSA-N 493.003 4.892 10 10 JJCE CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163162552 KHZUVTBFAPYRES-UHFFFAOYSA-N 474.646 4.788 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl 2294124687 YWLUZHJVNDHOSO-UHFFFAOYSA-N 491.887 4.802 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O 2297342536 YWRRKPARIFOTMB-UHFFFAOYSA-N 492.915 4.690 10 10 JJCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F 2297454133 SULCSQNKSFOKCR-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE O=C(CCn1cnc2sccc2c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 11968244 UWELDSGOBQFFPW-DEOSSOPVSA-N 455.539 4.613 10 10 JJCE COc1cccc(NC[C@H](O)Cn2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 13571965 SDVRLQGTPDLGTB-DEHNYIOBSA-N 480.568 4.929 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 20711441 WUSBHBODZKWDSQ-MCFFVMPBSA-N 465.402 4.841 10 10 JJCE CCOC(=O)c1sc(N2N=C(C)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)nc1C 33248697 FHRZJIKMQIETMX-GRSHGNNSSA-N 492.557 4.571 10 10 JJCE COc1ccc(OS(=O)(=O)c2ccccc2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 33447962 AGSWMYQTWXIWCI-PXLXIMEGSA-N 497.619 4.864 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 33529861 ZDVXOPYMTPLODY-UYRXBGFRSA-N 480.615 4.680 10 10 JJCE Cc1ccc(-n2nc(C)c(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c2O)cc1C 38161187 HVTPMZKHQFFGRT-ODLFYWEKSA-N 450.882 4.663 10 10 JJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(CC)C2=O)CC1 38732557 HHVLXNGOYQPUJZ-RGEXLXHISA-N 469.632 4.544 10 10 JJCE CCS(=O)(=O)c1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1 40325115 OIPMGGYGCYIIRC-UHFFFAOYSA-N 493.585 4.637 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 64636077 LDJUSYSISOUPMQ-UHFFFAOYSA-N 461.585 4.662 10 10 JJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)N(C)Cc4ccco4)[C@H]3C2)cc1 97946780 YJRKSNHVRWXLPG-UKILVPOCSA-N 499.533 4.833 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 102997490 WCKATCDOHWHBKL-DQPIFXJKSA-N 481.599 4.804 10 10 JJCE Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)=NC3=O)o2)cc1 103126122 KIXAKIBOSFCTKX-XQNSMLJCSA-N 474.542 4.956 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526372021 ICGBOFLWYSVOPS-AREMUKBSSA-N 488.540 4.772 10 10 JJCE O=C1OCCN1c1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 914794482 HNCKWLGNDIGDBF-JOCHJYFZSA-N 455.474 4.803 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(C)c1-c1ccc(OCC)cc1 1860762301 BANALBWAVFXURD-HNAYVOBHSA-N 472.607 4.932 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(N(C)C)ccc3c2=O)sc(C)c1-c1ccc(C)cc1 1866422026 XMDLCSSXRYUQLA-UHFFFAOYSA-N 475.570 4.978 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873165884 VAANDXVLNDMEKD-OAQYLSRUSA-N 457.574 4.561 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCCc4ccccc4)c4ccccc34)[C@H]21 1873915401 TXJIMEOMCHUOOA-PMERELPUSA-N 492.623 4.927 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C3CCC3)c(CN)c2I)C2(C)CC2)cc1C 2079986943 VJSMVHLHHYFDOD-LJQANCHMSA-N 465.379 4.926 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 2296398188 ZSFUHJPJVFWYCO-UHFFFAOYSA-N 469.472 4.526 10 10 JJCE O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1ccc2ccccc2c1 2314835460 JEYZOGGYQMQCHO-UHFFFAOYSA-N 454.960 5.000 10 10 JJCE Cc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1 2314836635 HUSSKWXPHSIMPQ-CYBMUJFWSA-N 461.406 4.986 10 10 JJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1)C(=O)O 2314932215 UKOMIFBPDNARKM-LLVKDONJSA-N 464.362 4.707 10 10 JJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147731 UJXYZPJHQNRKTJ-UHFFFAOYSA-N 464.905 4.906 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 11591676 KVZNTNAIGCBVNZ-VWLOTQADSA-N 498.366 4.813 10 10 JJCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048801 BEEAVZMNDFZAIY-CCNLRRDASA-N 481.624 4.951 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccccc1 20236706 AZRBPYHVOARDSZ-TVRHKFALSA-N 496.317 4.517 10 10 JJCE CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39990451 RIGTVHOPWKEBCU-FASCHPMRSA-N 472.680 4.532 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccc(C)cc1 40937906 XGQKRDZNNJMRPT-STZFKDTASA-N 471.600 4.737 10 10 JJCE COCCN1CCCCC[C@H](O)c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)ccc21 257196945 ZEMCMQRXDALZSI-NDEPHWFRSA-N 479.665 4.913 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526216932 PMTUNAWAHYOTOO-XMMPIXPASA-N 463.486 4.571 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCc3ccc(C)cc3)CC2)cc1 1870436415 YEAZFTRQPMNXJJ-UHFFFAOYSA-N 489.660 4.765 10 10 JJCE COCCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168029 GWNALSRBYPSAOO-OAQYLSRUSA-N 457.574 4.561 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCCc1ccccc1 1873915395 SZKNUKYAOWJITE-UHFFFAOYSA-N 476.580 4.713 10 10 JJCE O=C(CCCCCN1Cc2ccccc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179656 JSVVBUIBMVVSLX-UHFFFAOYSA-N 452.510 4.617 10 10 JJCE Oc1ccc(Br)cc1Cn1nc(-c2ccccc2)cc1I 2070040996 SUVIWABLLQRPLO-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE CC1(c2nn(Cc3c(O)cccc3Cl)c(I)c2C(F)(F)F)CC1 2079713330 YGZWEWCWXVUKPP-UHFFFAOYSA-N 456.633 4.965 10 10 JJCE COc1ccc([C@H](n2nc(C(C)C)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079999664 YMUYXXIYSQGVLN-INIZCTEOSA-N 472.323 4.659 10 10 JJCE CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 2296711335 NSCNGPBRNFNAOU-UHFFFAOYSA-N 473.417 4.630 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)O 2297354661 WDCADIHLBVICKE-UHFFFAOYSA-N 483.489 4.973 10 10 JJCE Cc1cccc(OCC2=NN3C(=N)C(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)C(=O)N=C3S2)c1 2297365103 OMBSHRDDZXTPFT-UHFFFAOYSA-N 487.497 4.861 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OC(C)C 2314764733 KVDFGGKIFPFFPQ-UHFFFAOYSA-N 462.980 4.682 10 10 JJCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1OC 2314837259 QEUCSSJNEVJPCF-GFCCVEGCSA-N 496.532 4.951 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)ccc1O 2323874465 UHPDAHXBVAXVGL-UHFFFAOYSA-N 454.617 4.657 10 10 JJCE CSCC[C@H](NC(=O)C(C)=Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330453902 CPJLUVRGRGUUHD-DEOSSOPVSA-N 498.604 4.742 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1 9782027 VCHBJSRWPWHNEV-HSZRJFAPSA-N 474.948 4.575 10 10 JJCE N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102477795 NROGERVTHMITMN-SZRLJQQQSA-N 481.965 4.622 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)SC1=S 210500808 DZTWUTFUMRYXJX-GHRIWEEISA-N 452.554 4.707 10 10 JJCE CCOC(=O)c1ccc(N=N[C@H]2C(=O)N(c3nc(-c4ccc(OC)cc4)cs3)N=C2C)cc1 252462061 PLOJXHXITAAQFP-HXUWFJFHSA-N 463.519 4.870 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)c1 526282501 UHBWPFGWGPAZSN-DEOSSOPVSA-N 457.486 4.820 10 10 JJCE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 1655129005 MHWMHXPGLCAFHK-CQSZACIVSA-N 455.407 4.911 10 10 JJCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CC#N)CC1 1705653702 NOFICVXBTRBBSU-UHFFFAOYSA-N 458.635 4.849 10 10 JJCE CC(C)(C)c1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1858033749 KRJFFYMPFDBMSD-UHFFFAOYSA-N 450.516 4.863 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1874179157 QMWJPHOMFGMOBN-QAQDUYKDSA-N 462.546 4.732 10 10 JJCE CCN1C(=O)C(=Cc2ccc(NC(=O)c3ccc(I)cc3)cc2)SC1=S 2042453374 GBRXXJGWYYCWKD-UHFFFAOYSA-N 494.379 4.765 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCCC3)nc12 2053497884 RTKMJOHTHRQKOR-KRWDZBQOSA-N 476.627 4.566 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3cscc3Br)cc2)CC1 2286067943 HFVDOIUTEBJHCC-GOSISDBHSA-N 452.418 4.616 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)c3ccc(Br)s3)cc2)CC1 2286071539 OTGKWUQTUYYDDT-SFHVURJKSA-N 452.418 4.616 10 10 JJCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 2297311167 GVISBBDMUJJWKI-UHFFFAOYSA-N 457.269 4.501 10 10 JJCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O 2313631296 JAFKOLOZZODKGW-UHFFFAOYSA-N 490.541 4.635 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)ccc1OCc1ccccc1C 2314769489 RFKFZIBREGWIMG-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@@H](NCc1cc(Cl)cc(Br)c1O)C2 2358982775 LEIAZJCNOAEIOP-WGHIXYSZSA-N 459.812 4.980 10 10 JJCE CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(O)ccc3ccccc23)NC(=O)N1 20568885 SJVPNURISMSAGT-HXUWFJFHSA-N 452.308 4.575 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1Br 33400616 WGEDSBDESDSLDZ-JYRVWZFOSA-N 451.729 4.783 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33511261 WGXKZPTWBYAVTL-XDJHFCHBSA-N 464.616 4.698 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCc1nc(-c2ccccc2)cs1 40324669 LMJHMJUUYVDQHZ-UYRXBGFRSA-N 465.625 4.718 10 10 JJCE Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CC(=O)OCC(C)C)C3=O)cc2)cc1 40888782 RIEITZAQOUINTI-MTJSOVHGSA-N 455.601 4.974 10 10 JJCE CC1=CC=NC2=N/C(=C(O)/N=N/C(=O)c3ccc(COc4ccc5ccccc5c4)cc3)NN12 104974685 RNPBIISDUYWHKO-QDHJIUGJSA-N 452.474 4.860 10 10 JJCE Brc1ccc(-c2nnc(N3CCCOCC3)n2CCCSc2nccs2)s1 1358868980 CXZGRXMNNBIOBI-UHFFFAOYSA-N 486.486 4.635 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)F)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079047116 ICQMVWFNWPSGTF-ZDUSSCGKSA-N 462.234 4.527 10 10 JJCE CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 2313547830 DANJIQYWKSDADQ-UHFFFAOYSA-N 457.324 4.521 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314769852 WFCOZPMNKSJVOT-QGZVFWFLSA-N 478.389 4.660 10 10 JJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314832025 YAGSDJGIWVKNID-UHFFFAOYSA-N 499.054 4.568 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314933346 ASTUHHMPBLLCRK-GOSISDBHSA-N 471.600 4.771 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 34688066 BWZTXIXUIWFNQP-ULJHMMPZSA-N 472.541 4.621 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc(Br)c1OC 83293511 OYAKITMTCANAEA-DHDCSXOGSA-N 475.364 4.836 10 10 JJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2C(=O)O)o1 100148014 RMHAQSDBWLXMGQ-WQRHYEAKSA-N 450.834 4.803 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(Cc4cccc(F)c4)n3)CC2)cc1 1862354834 CUGULENQIAQJOI-UHFFFAOYSA-N 470.548 4.709 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3cc(Cl)cc(Cl)c3n2)c2nccn2C)cc1 1866537933 HCMSSZIFOXBRBU-HXUWFJFHSA-N 470.360 4.566 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n(-c4ccccc4Cl)n3)CC2)cc1 1869969161 HXFSXVOSAMIZLH-UHFFFAOYSA-N 483.016 4.631 10 10 JJCE Cc1noc(C)c1COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871012633 QXSWLDPNGRIYPO-GOSISDBHSA-N 474.561 4.769 10 10 JJCE CN1CCc2cc([C@@H](N)[C@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106854258 ATPPNUKOMNSEQJ-SHQCIBLASA-N 451.611 4.523 10 10 JJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)c(Br)cc1O 2293772163 JNSKDPYANQXLDU-UHFFFAOYSA-N 450.379 4.955 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 2297347472 UWLFKBGMHBCCEX-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 2297358212 KWQHRIMBQSGIJB-UHFFFAOYSA-N 490.943 4.980 10 10 JJCE C[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc1)C(=O)O 2314929377 LWKXOPUDSSXGLL-LLVKDONJSA-N 464.362 4.707 10 10 JJCE CCCCOc1c(Br)cc(C=C2C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 2332114426 BIAHGGKXUADGSR-UHFFFAOYSA-N 473.367 4.905 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(Br)c2O)[C@H]1C(F)(F)F 2370320174 MEFNRHSEZDLODU-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 2673002 BHCKKLUFMXTRCU-UYRXBGFRSA-N 472.544 4.824 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4nsc5ccccc45)c3)CC2)cc1 8600066 XXYZASYJPPMDGE-UHFFFAOYSA-N 486.597 4.828 10 10 JJCE O=C(O)c1ccccc1Nc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 9780548 PPVOWNXDZIYRFP-UHFFFAOYSA-N 497.507 4.824 10 10 JJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 18006319 DRXZMVKVZCGYBI-LSZLNTRYSA-N 456.483 4.621 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1OC 28296382 AOVKPDCGPAXWOH-LDADJPATSA-N 451.516 4.749 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 33423931 DPJGMPWNWUWEPR-NDENLUEZSA-N 462.433 4.626 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1 33897766 WKNQMCNESOHQQU-KGENOOAVSA-N 493.610 4.922 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 100296409 UEBLXNDGQGHTBR-XQNSMLJCSA-N 490.585 4.831 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 206703095 LBUOCXPVJZRORJ-FMQUCBEESA-N 460.621 4.830 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526430432 WCHGWTBPZVFFGR-NRFANRHFSA-N 468.303 4.926 10 10 JJCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 1210039704 WRXHJVVMJPBLDT-SFHVURJKSA-N 456.608 4.776 10 10 JJCE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1527481593 OGCBVTZSICBKBF-CALCHBBNSA-N 452.526 4.555 10 10 JJCE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCOC[C@@H]1OC 1705869649 AOZQGUQQXJEDNM-RDGATRHJSA-N 461.610 4.583 10 10 JJCE Cc1cc(I)ccc1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1860087071 XVFRCWLQVKCDMG-OQLLNIDSSA-N 453.326 4.711 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864015544 BRNJRSLJNYAGSS-JOCHJYFZSA-N 490.604 4.762 10 10 JJCE C[C@H]1COCCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2ccccc2)n1 1868363743 XLOBOJLBZGWKAQ-SFHVURJKSA-N 476.536 4.888 10 10 JJCE COCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166378 NZFBWIQDPKXGOQ-UHFFFAOYSA-N 477.992 4.654 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423692 PCOZCYAHQVGRSF-UHFFFAOYSA-N 479.584 4.881 10 10 JJCE CCc1c(C(C)(C)C)nn(Cc2c(O)cccc2Br)c1I 2079715759 LWVORLMMZJWIQW-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE Cc1c(C(F)(F)F)nn(Cc2cccc(C(F)(F)F)c2O)c1I 2079824492 ZMUCLKGKPPFOTO-UHFFFAOYSA-N 450.120 4.588 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2080025650 RMCRNGPGCFSHKW-LJQANCHMSA-N 498.361 4.892 10 10 JJCE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CNC(=O)OC(C)(C)C 2163172051 MJDHYPAHRUEZDO-ZWKOTPCHSA-N 474.646 4.549 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541869 BVXINOAOHQDTML-ROUUACIJSA-N 484.691 4.877 10 10 JJCE CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccco3)SC2=S)cc1 2296807984 HFXSSNZENBFPDV-UHFFFAOYSA-N 472.588 4.857 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 2313540986 HZISNMXOVIMVKA-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2[C@H]2C=CC[C@@H]21 14477943 PEDVDCUXMZMLMA-ISJBWFOZSA-N 475.570 4.942 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 20356467 UJUPLRWSMVYWHZ-XNUZKYAUSA-N 489.601 4.727 10 10 JJCE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 33332641 HKTIBXCXDAULSH-YZSQISJMSA-N 496.563 4.885 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 33402966 WNIHWBQRMRHTCT-DEDYPNTBSA-N 489.509 4.854 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc(Br)cc4C)c3O)C2=O)c1 38162309 XZBLNSZVDAFMMJ-WQRHYEAKSA-N 495.333 4.772 10 10 JJCE COc1ccc(CN2C(=O)/C(=C/c3cc4cccc(C)c4nc3N3CCOCC3)SC2=S)cc1 38732276 XNCABKPYYCKXFE-JCMHNJIXSA-N 491.638 4.790 10 10 JJCE CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC4CCCCC4)cc3)SC2=S)s1 39793584 XXLJPJRYMZMUPQ-ATVHPVEESA-N 488.660 4.652 10 10 JJCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3C(=O)OC)C2=O)cc1 59371537 YPASHHLUAFEEEK-XSFVSMFZSA-N 455.605 4.590 10 10 JJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OCC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526234922 CMIDFZSKJXXVMF-VWLOTQADSA-N 477.513 4.961 10 10 JJCE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1858687599 NCVWSFXJDNYBOW-GFCCVEGCSA-N 461.305 4.988 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C3CCC3)CC2)sc(C)c1-c1ccc(C)cc1 1860631235 CHLRUJMKQRKJRT-UHFFFAOYSA-N 454.592 4.796 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)sc(C)c1-c1ccc(C)cc1 1860748971 QUZVQZORZTXIMZ-UHFFFAOYSA-N 450.516 4.598 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C(C)(C)C)ccc3[nH]2)N2CCCCC2)cc1 1866518091 WKNYKCVZJQNUEQ-SANMLTNESA-N 474.649 4.849 10 10 JJCE CCN(CC)CCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167945 DLNFYSTYMJMABI-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(C(C)C)C2=O)cc1 1873169091 YOAHCTXXVYRZLU-UHFFFAOYSA-N 481.600 4.681 10 10 JJCE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2296538554 XORJVFUSEWASLO-UHFFFAOYSA-N 463.584 4.832 10 10 JJCE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 2313548027 JFQCFUQNPPEQRK-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836329 DAFBFGXVSCHKLQ-LLVKDONJSA-N 465.369 4.817 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1nc2ccccc2s1 2314913607 AWFBJYVAAYWMQK-UHFFFAOYSA-N 459.643 4.656 10 10 JJCE Cc1ccc(CNCc2c(Br)cncc2Br)c(O)c1Br 2380809732 CRHDKLAGDRDLTM-UHFFFAOYSA-N 464.983 4.673 10 10 JJCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/NC(=O)Nc1cccc2ccccc12 101123379 ZRBUODDPGKTGMQ-CPNJWEJPSA-N 496.308 4.873 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@H]2c2ccc(O)c(O)c2)cc1OC 526165920 PJCJNJFAHYDGTH-VWLOTQADSA-N 470.481 4.720 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526275680 HDMVFUJWRBVDQQ-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1)NC1CCCC1 586621285 CDDSZXSAWCZFNJ-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE COc1c(F)cc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 730932370 JPGHYWHTOCBMRX-UHFFFAOYSA-N 469.357 4.620 10 10 JJCE CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 1638708899 OOAGYMJYEHOCKK-UHFFFAOYSA-N 456.546 4.554 10 10 JJCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)c(C)s2)cc1 1859574316 WKPBKEQOAJWTPK-UHFFFAOYSA-N 457.577 4.593 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(Cl)n2)sc(C)c1-c1ccc(C)c(C)c1 1860748721 IXJULZFMAOVVMR-UHFFFAOYSA-N 457.939 4.753 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccccc3)C3CC3)c3ccccc3)CC2)cc1 1868685440 CFZYULWQGAGSFE-MFMCTBQISA-N 497.639 4.785 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)C(C)C)CC2)cc1 1868936329 TUJFWKCRSGKERR-LXFBAYGMSA-N 497.655 4.844 10 10 JJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869268031 BPJWGLYNVXRZOZ-FQEVSTJZSA-N 491.611 4.622 10 10 JJCE CCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc12 1874017942 ZDOLTSMHOOXAAB-UHFFFAOYSA-N 481.504 4.929 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cc4nnc(C)o4)cc3)C2=O)cc1 2314913658 NWQMPJAHWVDNBS-UHFFFAOYSA-N 478.599 4.507 10 10 JJCE COc1ccc(C=C(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1OC 2325372756 XQIXYYOXJQCDAO-NDEPHWFRSA-N 496.611 4.950 10 10 JJCE CC[C@H](C(=O)OC(C)C)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945437 UPJQZOVEKGDJOK-QGZVFWFLSA-N 474.604 4.610 10 10 JJCE O=C(C(=O)c1c(F)c(F)c(C(=O)C(=O)c2ccc(F)cc2)c(F)c1F)c1ccc(F)cc1 9761249 PYZNSGAXXNMFNA-UHFFFAOYSA-N 450.290 4.652 10 10 JJCE COc1ccc(-c2csc3ncnc(NCCN4CCN(c5ccc(OC)cc5)CC4)c23)cc1 21643158 TWMXDDHHQPLKHW-UHFFFAOYSA-N 475.618 4.610 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)cc1O 36551104 ZFENHQYUHOMORS-IZVMNLJQSA-N 474.582 4.979 10 10 JJCE CCOC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1 95926118 AILWZBKQGPOWCI-PDGQHHTCSA-N 484.580 4.731 10 10 JJCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCC(Oc2ccc(F)cc2F)CC1 726718545 GHBCHTGNEHYUGL-UHFFFAOYSA-N 481.490 4.788 10 10 JJCE CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 731403608 PSYVFOMZZRTHBN-UFYCRDLUSA-N 457.590 4.611 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1O 1460795227 KVRAHCNOJGRYDD-JKSUJKDBSA-N 450.885 4.526 10 10 JJCE CCCc1cc(=O)oc2c(CN(CCOC)C[C@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 1614472828 MWTMOGWXWUTECU-AUSIDOKSSA-N 477.045 4.817 10 10 JJCE C[C@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1858687600 NCVWSFXJDNYBOW-LBPRGKRZSA-N 461.305 4.988 10 10 JJCE CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)[C@@H](C)Oc1ccc(N)cc1 1860083256 JKMPAMAIOGKKCK-OAHLLOKOSA-N 454.548 4.979 10 10 JJCE Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 1860273711 GDOPLXREGPQSKW-UHFFFAOYSA-N 463.530 4.766 10 10 JJCE C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347270 GPJAZTSEXGWIAC-URAOTHONSA-N 492.623 4.926 10 10 JJCE CCc1sc(NC(=O)CC[C@@H]2CCCN2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866258124 NNYNWYNGWZEHAE-HNNXBMFYSA-N 465.413 4.997 10 10 JJCE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c1 1873424593 SOYIBLVQLDWYNO-UHFFFAOYSA-N 473.573 4.959 10 10 JJCE O=S(=O)(O)c1ccc2c(/N=N/c3c(O)ccc4ccccc34)cc(S(=O)(=O)O)cc2c1 1933295852 STHKZHQFXKOBBI-QURGRASLSA-N 458.473 4.607 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080055620 HYSJSCXRVMKZFH-INIZCTEOSA-N 490.288 4.924 10 10 JJCE CCCN[C@H](c1ccc(N(C)C)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2106856326 YCAWLZKOFAIKME-JWQCQUIFSA-N 454.659 4.819 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C 2296807949 BWVTYZQIVSUXNB-UHFFFAOYSA-N 484.541 4.978 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 2296882545 ZBCQLDHCIVDPBM-UHFFFAOYSA-N 477.991 4.994 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)o1 2313548854 HIYOULMFAKYRJN-UHFFFAOYSA-N 467.344 4.849 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(Oc2ccccc2)c1 2313559872 ZZADXHLFDIGLQC-UHFFFAOYSA-N 463.287 4.908 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)NCc4cccs4)c4ccccc34)C2=O)c1 1127530 CQFBUHZBKHNRGZ-LPYMAVHISA-N 498.564 4.834 10 10 JJCE O=C1/C(=C/c2ccc(N3CCOCC3)cc2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 1152987 ARLYXURNWIUMGA-GIJQJNRQSA-N 462.358 4.502 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2OC)c1 20071352 JPNTVUWFCMRXSR-FQRUVTKNSA-N 462.502 4.669 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c(C)c1 33317768 OKAPAVWYXYZJLY-ATVHPVEESA-N 464.474 4.852 10 10 JJCE CCCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OCCC)C2=O)cc1OC 33779742 CZQHYSXERPTEHB-XMHGGMMESA-N 451.610 4.809 10 10 JJCE O=C1/C(=C/N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1cccc(C(F)(F)F)c1 59397511 IHIYOCIBANPUFQ-AQTBWJFISA-N 467.513 4.873 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 103861517 VEBJVQAWTCDYMU-BUVRLJJBSA-N 450.498 4.510 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 206479389 QJNGCHRYBCZSGK-KGENOOAVSA-N 450.585 4.844 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCCC(=O)O 210463725 SBGIJCHFSQZNAD-MOSHPQCFSA-N 457.573 4.961 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N[C@@H]5CCC[C@@H](C)[C@H]5C)c(C)c34)CC2)cc1 245295381 DPGJJPPBJPHDTF-JBYIUTFZSA-N 493.677 4.889 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(C)cc2)[C@]12C(=O)Nc1ccccc12 503996145 TTXBHBPHACKKMI-LSMVNSQTSA-N 478.548 4.566 10 10 JJCE biogenic CCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@H]2c2ccc(O)c(O)c2)cc1 526617622 RSGAUXHHAULHHO-QFIPXVFZSA-N 457.404 4.971 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1 1860073536 ONANFULVHHUPMW-OVCLIPMQSA-N 452.326 4.621 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)cc1OC 1860085422 JZMJQOXRMQZGAU-VGOFMYFVSA-N 451.982 4.781 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3cccnc3)C2)sc(C)c1-c1ccc(C)cc1 1860652572 OFNATLMPZNHSFT-HXUWFJFHSA-N 477.586 4.704 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748690 HUEIDIHVRAMDDZ-UHFFFAOYSA-N 485.493 4.751 10 10 JJCE Cc1c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)oc2c(Cl)cc(Cl)cc12 1866297153 WAUZLVXAUSPMAY-FQEVSTJZSA-N 485.371 4.727 10 10 JJCE C=Cc1ccccc1OCC(=O)N[C@H](CCCC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265670 LYRIWDSRHFEFDN-XMMPIXPASA-N 496.563 4.798 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873419155 RMQZLWNKCFLUHL-UHFFFAOYSA-N 482.496 4.988 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C(C)(C)C)cc3)n4C)CC2)cc1 1873650163 FRGCOIKZDWUSLD-UHFFFAOYSA-N 498.631 4.853 10 10 JJCE C[C@H](C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951529290 RHQPEXMLDQDKRV-AEFFLSMTSA-N 461.514 4.658 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](CC)c2ccc(C)cc2O)c1I 2079034796 SIDHBZWRFHKFDF-CQSZACIVSA-N 470.351 4.975 10 10 JJCE COc1ccc([C@H](n2nc(C3CC3)c(C=O)c2I)C(C)(C)C)c(O)c1 2080003849 RWHXNQXKRQUVJJ-KRWDZBQOSA-N 454.308 4.527 10 10 JJCE CCOc1ccccc1NC(=O)CCCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2297349378 KZLMHDUDTJEVCT-UHFFFAOYSA-N 486.615 4.723 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)C1=O 2297500147 NCJINUUZXABJJI-KRWDZBQOSA-N 468.538 4.824 10 10 JJCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 2297624564 AXDDBEBHFGWJOP-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NCc2cc(Cl)cc(Br)c2O)C1 2336507740 FXGNZXUMUVBTQK-INIZCTEOSA-N 455.727 4.542 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857618 WHIIBINGULPZSF-UHFFFAOYSA-N 484.386 4.581 10 10 JJCE COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(N(C)C(C)=O)cc3)C2=O)cc1OC 33304420 IXETXKIOYKITQQ-KQWNVCNZSA-N 455.514 4.521 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3nc4ccccc4s3)C2=O)cc1 40324150 UAODZRKUCGVSQF-PDGQHHTCSA-N 453.614 4.512 10 10 JJCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 1083932453 OCFGBJVBNSVUAU-FMCGGJTJSA-N 486.568 4.838 10 10 JJCE C/C(=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1OC(F)F 1465950811 CDYSKNLXMBEKND-HAZIXKIPSA-N 450.913 4.831 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(Cl)cc2)sc(C)c1-c1ccc(F)cc1 1860758437 GWPVTKDFSNSBQP-UHFFFAOYSA-N 474.941 4.948 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1865887812 XTRWPPUFFNVBHE-MHZLTWQESA-N 455.602 4.941 10 10 JJCE CN(CCN(Cc1ccccc1)c1cc2c(cc1Br)[C@@H](N)C(=O)N2)Cc1ccccc1 1946821193 GBYJBOMPEKCCAE-XMMPIXPASA-N 479.422 4.540 10 10 JJCE CO[C@@H](c1ccc2ccn(C)c2c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952325558 HHMMBKSKTFLUHE-FTJBHMTQSA-N 470.525 4.858 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 2293215401 MSMNIUMNGVOCTD-UHFFFAOYSA-N 452.511 4.833 10 10 JJCE COc1ccc(C=C2N=C(c3ccc(Br)cc3)N(c3nccs3)C2=O)cc1OC 2296342650 MSDOFKRNWVZXQW-UHFFFAOYSA-N 470.348 4.757 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)cc(OC)c1OC 2296880176 URQRUCWBBXUHDB-UHFFFAOYSA-N 493.006 4.596 10 10 JJCE CS(=O)(=O)Oc1ccc(Cl)cc1C=C1SC(=S)N(c2cccc(Cl)c2)C1=O 2297356680 AMALLZDKZAKHGL-UHFFFAOYSA-N 460.385 4.738 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 2313541690 UTLHQYSKUZJSPM-UHFFFAOYSA-N 495.988 4.596 10 10 JJCE COc1ccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c(C(=O)O)c1OC 2314929548 OFCDSWGFBQZOSA-UHFFFAOYSA-N 480.361 4.570 10 10 JJCE CC[C@H](Nc1c(I)cnn1CC)c1cc(Br)ccc1O 2382008700 ICDDJUSQTMGIGB-LBPRGKRZSA-N 450.118 4.539 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1 14475643 SGPCBMCCHDUNDU-UMEGOILYSA-N 493.541 4.936 10 10 JJCE O=C1/C(=C\c2ccco2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1 17086508 WJWTVIGFQSHBAW-QGOAFFKASA-N 453.317 4.790 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702371 QEFIMCBGTKFIDD-YPCDYVTLSA-N 482.602 4.622 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 33793486 CUDDYXXYXSGCLZ-ULJHMMPZSA-N 472.541 4.621 10 10 JJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)c2ccccc2F)c(OS(=O)(=O)CC)c1 37402139 ACFZBLLLTFOREO-UHFFFAOYSA-N 464.603 4.699 10 10 JJCE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990064 KGQWITXVHSQYRE-IWEBCOIVSA-N 472.680 4.532 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 100208149 GOFYBVKLDOXNHJ-CPNJWEJPSA-N 470.319 4.503 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526228118 YRDUQDUOIHIXJM-VWLOTQADSA-N 460.530 4.836 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 1083858882 HTNQNHJQDSLUQR-GHXNOFRVSA-N 456.148 4.587 10 10 JJCE C/C(=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1OC(F)F 1465950813 CDYSKNLXMBEKND-RXBGNRNISA-N 450.913 4.831 10 10 JJCE COc1ccc(O)c(CN2CCC[C@]3(C[C@@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1 1615529264 NXGZBDUDUSDVOO-NAKRPHOHSA-N 499.051 4.864 10 10 JJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1858596698 YSOYFHFOHQEESA-ILPJPCROSA-N 471.600 4.975 10 10 JJCE Nc1ccc(Cc2ccc(NC(=O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1866025779 AZIBDQCXOFPLNB-UHFFFAOYSA-N 486.528 4.563 10 10 JJCE CCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870691702 LTYBMCWXBDVFLE-UHFFFAOYSA-N 489.660 4.991 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873165598 QMYLXAXTNCQIDC-UHFFFAOYSA-N 489.591 4.570 10 10 JJCE Cc1ccc(-n2nc(C)c(C=C3CCn4c3nc3cc(C(=O)O)ccc3c4=O)c2Cl)c(C)c1 2040461533 VAPJETOPJYSKSC-UHFFFAOYSA-N 460.921 4.803 10 10 JJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)cc1 2296848537 BYFYMAKLXJBJKQ-UHFFFAOYSA-N 475.551 4.790 10 10 JJCE C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836330 DAFBFGXVSCHKLQ-NSHDSACASA-N 465.369 4.817 10 10 JJCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)c1)C(=O)O 2314931780 QQIKCHROVOUNSJ-LJQANCHMSA-N 498.626 4.772 10 10 JJCE O=C(O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 13351838 HBRYDJNDDJNLNZ-GZTJUZNOSA-N 478.389 4.704 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33467407 UOWVOBQJAOULDG-AQTBWJFISA-N 456.637 4.749 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc(N4CCCN(Cc5cccc(C)c5)C4=O)cc3)CC2)cc1 35180844 AVRCYHWQWONIIK-UHFFFAOYSA-N 498.627 4.798 10 10 JJCE Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 71933373 NPROIODQJDOGJR-ZHACJKMWSA-N 484.522 4.674 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S 210498932 SDYKOQOKDQOAIV-LDADJPATSA-N 478.542 4.922 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)cc2)SC1=S)c1ccccc1 212267899 GOEKEYVXYMLWHB-OQKWZONESA-N 460.580 4.854 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@@H]1c1ccc(O)c(O)c1 526186381 SYRUKXKLBAJDPY-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526274134 OGHNLOYKAJXGOT-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)C)CC1 1595928534 LYAJTQJIUHWSRQ-UHFFFAOYSA-N 462.642 4.846 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858592143 HUQYFCUAJOECIL-GQBVICOWSA-N 491.590 4.868 10 10 JJCE CCc1sc(NC(=O)c2cccc(C(=O)O)n2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866064812 FTUTXJRCZMCIHD-UHFFFAOYSA-N 489.347 4.872 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)c3ccccc3)CC2)cc1 1868843643 DQATVOZJGAAXLC-FQLXRVMXSA-N 499.655 4.950 10 10 JJCE CCCOC(=O)c1cccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1873978312 LFIQTQZJVJYKKP-UHFFFAOYSA-N 452.466 4.534 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CSc4ccccc4)cc3)CC2)cc1 1874747171 ASUSTRWVCDDPQZ-UHFFFAOYSA-N 490.625 4.788 10 10 JJCE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C(=O)O)c2I)c(O)c1 2079026919 LCCHIFNAWBDQBR-OAHLLOKOSA-N 456.324 4.743 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079041473 VGEDHZXLKBWONT-ZDUSSCGKSA-N 482.240 4.854 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2296147204 LJANPLWACDDTLM-UHFFFAOYSA-N 471.252 4.618 10 10 JJCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)o1 2297511526 DOOWRNVPEIRISE-UHFFFAOYSA-N 457.269 4.721 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 2324357090 RNOHRBNGOUYLEG-GDLZYMKVSA-N 496.655 4.867 10 10 JJCE CCC[C@H](NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330469740 HUHJAFXDCXMVQD-SANMLTNESA-N 477.649 4.640 10 10 JJCE O=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1c1ccc(F)cc1 3003584 HZQNWVWABCNMAZ-XSFVSMFZSA-N 471.556 4.999 10 10 JJCE Cc1ccc(-c2c(S(=O)(=O)c3cc(Cl)ccc3Cl)nnn2-c2ccc(N)cc2)cc1 11730798 PAHGDWVPEYKAOB-UHFFFAOYSA-N 459.358 4.965 10 10 JJCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 15046793 OCEVAFMNLKVRKI-ZSAINHDTSA-N 477.405 4.686 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1OC(C)C 33333816 HAWSHHQVEYIKEZ-RQZCQDPDSA-N 473.323 4.749 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526505996 JWCIQZDRHGZLFR-RUZDIDTESA-N 473.573 4.893 10 10 JJCE O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586707371 DLNNQZXJDCVAEP-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)c(F)c1O 687756062 NSPLWNRRTMFVKA-IBGZPJMESA-N 457.404 4.864 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)CC1 1435913170 UHEBNRSUBFANLS-UHFFFAOYSA-N 459.390 4.645 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O 1460795221 KVRAHCNOJGRYDD-HOTGVXAUSA-N 450.885 4.526 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1O 1559709171 SZWQTZUNKQVXBE-UHFFFAOYSA-N 457.876 4.716 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccccc3Br)SC2=S)N(C)C)cc1 1858594399 XPDBCICXOBLGQS-LPGQDOADSA-N 477.449 4.962 10 10 JJCE Cc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347412 OOQZKEAXLMAQSW-HHHXNRCGSA-N 450.542 4.735 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)C2CCCCC2)n1 1860549027 MJIGCHSSBWTXBH-UHFFFAOYSA-N 453.498 4.628 10 10 JJCE CCCCOC(=O)c1cccc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c1 1860715477 WRXRENWJGMYGTH-UHFFFAOYSA-N 483.790 4.883 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(Cl)cn2)sc(C)c1-c1ccc(F)cc1 1860746730 AIRGJLLBQPTTOW-UHFFFAOYSA-N 461.902 4.665 10 10 JJCE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cc(O)c(O)c(O)c1 1865876535 RGPOQARUSJVMHU-UHFFFAOYSA-N 478.320 4.723 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873168233 NPEHHCWYTRQPFK-KRWDZBQOSA-N 467.573 4.639 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(CCN(C)C)C2=O)cc1 1873421145 IUSFQFWCKJJRDO-UHFFFAOYSA-N 462.981 4.501 10 10 JJCE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 1874188007 OZQUATPDEJEIOZ-UHFFFAOYSA-N 482.587 4.612 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)CC2)cc1 1874721218 WITOUSQTFZWUMF-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079030786 AAHFWHLLYSTQSG-MRXNPFEDSA-N 468.335 4.887 10 10 JJCE CCOC(=O)c1c(C)nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079938164 CYPAXVKDOWOQQW-QGZVFWFLSA-N 468.335 4.685 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(C(N)=O)c2I)C(C)(C)C)cc1C 2079957948 NRKHWYLOXATFLI-QGZVFWFLSA-N 469.367 4.668 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(CO)c2I)cc1C 2079980710 IJNWUKLSJSDWPY-IBGZPJMESA-N 452.336 4.569 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1 2293689708 VVSXDVYBGCAUTL-UHFFFAOYSA-N 473.558 4.758 10 10 JJCE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1 2297315448 GFLJAQRCDHNBSP-UHFFFAOYSA-N 464.363 4.925 10 10 JJCE COc1ccc(CC2=NN3C(=N)C(=Cc4ccc(-c5ccc(F)cc5)o4)C(=O)N=C3S2)cc1OC 2297467911 HMIOKVUJHILPRM-UHFFFAOYSA-N 490.516 4.965 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S)Nc1cccc(C(F)(F)F)c1 2314827468 FQTLQGCNGMJZCN-UHFFFAOYSA-N 452.479 4.641 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 2533530 YPJHRHNULXVJSJ-ISLYRVAYSA-N 497.480 4.984 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1O 14458852 NSRINMXZOQSNGX-DFIYOIEZSA-N 454.592 4.838 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15046462 CNLMCXZFQKDEMT-OKHBPPCESA-N 452.479 4.639 10 10 JJCE COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1Cl 33334217 DUQQZYILUDKWAP-YBFXNURJSA-N 452.869 4.528 10 10 JJCE CN1CCOc2ccc(S(=O)(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc21 71554870 WFVMCOHHRVVREP-UHFFFAOYSA-N 456.376 4.746 10 10 JJCE O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71875294 GFBZHRUKFWANFY-UHFFFAOYSA-N 491.528 4.539 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1OC 210231684 HXADXKXNDFQNAC-DJKKODMXSA-N 487.555 4.676 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526471029 UUOONQIUNKRUKJ-HSZRJFAPSA-N 495.915 4.994 10 10 JJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OCC)c2)[C@@H]1c1ccc(O)c(O)c1 526527363 QLZWKPMGSNPGQA-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C1 586717618 DIDGUZAHIZZDIG-QGZVFWFLSA-N 467.525 4.978 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3ccc(-c4ccccc4Br)o3)CC2)cc1 1858114406 HEZKLTQDOZDNQT-UHFFFAOYSA-N 469.379 4.999 10 10 JJCE O=C(Nc1nnc(C2=S=CC=C2)s1)c1c2c(nc3ccc(Br)cc13)CCCC2 1859656690 WIIBUQGUHOYXMA-UHFFFAOYSA-N 471.405 4.606 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)c1O 1865671721 ANMMXSQVOHJFSW-QPEQYQDCSA-N 473.220 4.647 10 10 JJCE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865860007 GFJFBVRNXFBFBL-JOCHJYFZSA-N 470.525 4.537 10 10 JJCE CC[C@@H]1CCCN1c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1869082782 JDBLFADWRJYRDP-HSZRJFAPSA-N 457.622 4.781 10 10 JJCE Cc1cc(C)cc(OCCN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166806 HYXCMHSRRPCEHN-UHFFFAOYSA-N 469.585 4.622 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873420236 VUKBEEOXQRKOIE-QHCPKHFHSA-N 459.521 4.604 10 10 JJCE Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2oc1=O 1874017341 OUQUSHYATLATLU-UHFFFAOYSA-N 487.895 4.856 10 10 JJCE O=C(N[C@@]1(c2ccc(Br)cc2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952757915 VEZMJSXOPYWGFU-SQJMNOBHSA-N 494.341 4.993 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)(C)C)c(CN)c2I)C2(C)CC2)cc1C 2080029569 AKKSAILARIZDRN-GOSISDBHSA-N 467.395 4.956 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2080047272 BRHIXHPNMLLNEX-OAHLLOKOSA-N 478.277 4.780 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1 2293239055 LIZVTQVXITXALB-UHFFFAOYSA-N 478.574 4.962 10 10 JJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1 2297467701 VJHWKISBNUOVFS-UHFFFAOYSA-N 470.558 4.555 10 10 JJCE Cc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC4CCCCC4)cc3)SC2=S)s1 2314487138 COARULAJHOFDBD-UHFFFAOYSA-N 488.660 4.788 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314767408 GGYSJGCKRAVHGU-OAQYLSRUSA-N 486.574 4.631 10 10 JJCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323808626 CHCRTMQFECIEFF-SFHVURJKSA-N 459.614 4.673 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)NCc3ccccc3Cl)cc2)SC1=S 2331594916 RIXTZGNVZVRXSL-UHFFFAOYSA-N 475.035 4.892 10 10 JJCE CC(C)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 9884862 OFQMXLJIUSQZOS-GYKGCMEESA-N 459.545 4.589 10 10 JJCE Cc1ccc(-c2c(S(=O)(=O)c3cccc(C(F)(F)F)c3)nnn2-c2ccc(N)cc2)cc1 11730792 VANYOPARNQHFCT-UHFFFAOYSA-N 458.465 4.677 10 10 JJCE CCCN(CCC)C[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20439404 YMBMLYIRQXNBDM-MSIOFZDNSA-N 458.606 4.930 10 10 JJCE Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c(C)c1 20691770 CRWYZXGKKYXQKD-BLJFENDVSA-N 452.620 4.896 10 10 JJCE CCCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33470629 BAJWFLUPWCUOJC-JZJYNLBNSA-N 478.643 4.741 10 10 JJCE Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 33932818 GYZXBJITUWBWEU-JMSPFPEISA-N 483.553 4.515 10 10 JJCE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCCN(C)C)C2=O)cs1)c1cccc(C)c1C 96935925 NITONQMUHBBUGW-UNOMPAQXSA-N 474.677 4.597 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)sc2c1 208742488 DZNCEKXNIKLTAN-LDADJPATSA-N 469.613 4.925 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860749244 ZPJYMMNVZRHZHT-UHFFFAOYSA-N 465.575 4.770 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864021362 BASJDOUKYMDXKA-RHSMWYFYSA-N 496.530 4.503 10 10 JJCE COC(=O)c1c(NC(=O)CNC(=O)OC(C)(C)C)sc(C)c1-c1ccc(Br)cc1 1866033834 ITCDXTLUNBOANY-UHFFFAOYSA-N 483.384 4.736 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@@H](C(C)(C)C)C2 1866040870 PIGGKLIHFMMTFF-JKSUJKDBSA-N 484.618 4.686 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccc(F)cc2)cc1OCCO 1870789710 NGCHOHKETVNVBX-UHFFFAOYSA-N 459.521 4.763 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170452 ZXXBLHORHBBXSW-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(F)cc4F)cc3)CC2)cc1 1874741166 WAZATIKCRUKLHE-UHFFFAOYSA-N 494.538 4.517 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)cc1C 2079998017 KZROGPXAVPYCPW-LJQANCHMSA-N 479.362 4.566 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(N)c2I)C(C)(C)C)c(O)c1 2080037835 ORTKJFSKQZZIDB-QGZVFWFLSA-N 455.340 4.687 10 10 JJCE CCC1(NC(=O)OC(C)(C)C)CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2162985890 DOJZQLPAAQDPSI-UHFFFAOYSA-N 474.646 4.836 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc(OC)c1OC 2296734198 VCZMHHSUKXWJCI-UHFFFAOYSA-N 464.996 4.945 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313562199 IUWMCBRVQCQGOT-UHFFFAOYSA-N 498.322 4.766 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N([C@H](C(=O)OCC)c3ccccc3)C2=O)cc1OC 2314769975 XLVFKJGBUUGRGE-NRFANRHFSA-N 471.600 4.990 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(c3ccccc3)CC2)cc1 16914167 ICSMNOQRZKRZJH-RUZDIDTESA-N 481.015 4.838 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1ccc(C)cc1 96450471 WGFTYOOPKNGDKX-MRKXPFMVSA-N 496.614 4.791 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 104111666 ODAYRFNUUYUWNW-HJOGWXRNSA-N 497.522 4.818 10 10 JJCE COC(=O)CCCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 206709758 HBFYCVVNIYAZFB-QURGRASLSA-N 480.611 4.538 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226673503 NHFMTJGYFUJVNX-SWYRRKHMSA-N 462.571 4.706 10 10 JJCE CCN(CC)c1ccc([C@H]2C(c3cccc(C)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313993 BTHXRRMTZAPTQF-VWLOTQADSA-N 491.613 4.546 10 10 JJCE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(F)c1O 687752798 RCQCKJLLIBIKSA-RUZDIDTESA-N 453.441 4.899 10 10 JJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864009988 HOYHNYVUMSGDQC-RUZDIDTESA-N 498.583 4.602 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031884 QPWPGZLUXNPYOV-JOCHJYFZSA-N 490.604 4.622 10 10 JJCE COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(C(=O)Nc3cccc(N(C)C)c3)c1)CC2 1873894567 PIRXKKGFBCQRPQ-UHFFFAOYSA-N 474.561 4.612 10 10 JJCE CC(C)[C@@H](C(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951900579 FTDNPRCMSROPRN-ZEQKJWHPSA-N 475.541 4.904 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3F)o2)SC1=S 2040479917 CWZJJRBDCJRELL-SFHVURJKSA-N 453.516 4.983 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2080023954 GHZOLLUBLOFGCH-HNNXBMFYSA-N 484.334 4.646 10 10 JJCE CC[C@@H](NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1cc(Br)ccc1O 2161551632 YRPQOYSGLUOCMM-BXUZGUMPSA-N 455.315 4.899 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1O 20693141 NHFMTJGYFUJVNX-YPCDYVTLSA-N 462.571 4.706 10 10 JJCE Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(O)cc1 33314225 JKPYQLLIAUFFCQ-CIAFOILYSA-N 465.506 4.614 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2)s1 33333916 ICWZSNGNTRUBMC-LDADJPATSA-N 451.598 4.574 10 10 JJCE COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)cc1I 34704340 HNENOPHBWBKGFO-DHDCSXOGSA-N 492.338 4.588 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C1=O 102444620 NCJINUUZXABJJI-LBSLPOPVSA-N 468.538 4.824 10 10 JJCE Cc1ccc(-c2cc(CNC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)on2)cc1 206727424 DYRYOBXVGFYNSM-FYJGNVAPSA-N 463.584 4.558 10 10 JJCE CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCCc1ccccc1 208520961 TVYHBNQZBUPPPW-JJIBRWJFSA-N 456.542 4.785 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(Cc4ccccc4)C(C)(C)C3)ccc(N)c2C1 382702063 WDUPVKUBYUFDBR-UHFFFAOYSA-N 450.627 4.663 10 10 JJCE Cc1occc1C(=O)NC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc23)CC1 727426007 GYVUVRJIVFJZGH-UHFFFAOYSA-N 472.541 4.770 10 10 JJCE O=C1OCCN1Cc1cccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917635731 BJJZIVFECYPVHL-QHCPKHFHSA-N 469.501 4.798 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1O 1559697635 FXYVIZVYFJHVGD-LJQANCHMSA-N 454.876 4.720 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1705480825 YPJSAPYNUWGFFD-NLFFAJNJSA-N 458.654 4.931 10 10 JJCE CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860259137 VHILMUQONXTQNP-HXUWFJFHSA-N 478.589 4.569 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(F)cc1 1860759543 VMEFDPOGCYUODX-YMFLFHJQSA-N 472.582 4.919 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420749 UQIAIHRUBRNLDZ-UHFFFAOYSA-N 498.627 4.923 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 1873968418 GCDMPVNYQOJXDG-UHFFFAOYSA-N 499.914 4.775 10 10 JJCE CCN(CC)c1ccc(C=C2SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2053498079 HKLDXCZGGCFECM-UHFFFAOYSA-N 455.027 4.979 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)F)c(CO)c2I)cc1C 2079843940 JMTRPPUWPISFJU-INIZCTEOSA-N 462.278 4.630 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)NC2=S)cc1C 2293792133 TVRPCJBSALBPEK-UHFFFAOYSA-N 486.641 4.810 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 2296547577 CPFDKPKKXBMADA-QGZVFWFLSA-N 490.654 4.565 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCc3ccccc3)nc12 2296846255 UZUUDTBEBIYEOL-UHFFFAOYSA-N 488.594 4.609 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 2313549143 ODLRPHVUYQEOGH-UHFFFAOYSA-N 495.329 4.737 10 10 JJCE CCCC[C@H](NC(=O)C=C(CC)c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2329520940 OUGRNJNYIYLPAN-MHZLTWQESA-N 493.648 4.521 10 10 JJCE COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 1018646 WGKLLUIMHMUFDT-APSNUPSMSA-N 483.771 4.719 10 10 JJCE CCCN1C(=O)/C(=C2/SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21 2509077 QFYKKZKYIUAHEM-FOCLMDBBSA-N 451.411 4.720 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccn5)CC4)cc(N4CCCCC4)c1c23 9641563 HEOHFMQZBMDCNB-UHFFFAOYSA-N 465.557 4.751 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15037343 XUYABSXPHYYMFV-BOPFTXTBSA-N 477.405 4.693 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1c(C)cccc1C 20236191 FDDAIOMFTFKWJJ-MWQTZNTDSA-N 461.518 4.610 10 10 JJCE Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)c1 101526621 PECBKMUEFYXVMC-UQQQWYQISA-N 493.563 4.999 10 10 JJCE Fc1cc(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)ccc1N1CCOCC1 726967239 JTASAOUAVFHZEJ-UHFFFAOYSA-N 473.339 4.686 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c(Br)c1 1084485909 DDNYIYLFGBNWJG-RVDMUPIBSA-N 485.334 4.988 10 10 JJCE CCc1ccc(OCCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Br)c1 1861870710 ZSUMJBNNCNSIPO-UHFFFAOYSA-N 461.400 4.528 10 10 JJCE CCCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839828 RKQOJUKSHIVHAI-FTJBHMTQSA-N 482.644 4.524 10 10 JJCE CC(C)OC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870909468 SWCSKEUYTOVVFN-RUZDIDTESA-N 491.588 4.713 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NC[C@H]4COc5ccccc5O4)ccc3[nH]2)cc1 1872742253 QGIZKRATJMMXIW-NRFANRHFSA-N 456.546 4.646 10 10 JJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873164466 CVMKBBLHZSLELX-UHFFFAOYSA-N 471.601 4.869 10 10 JJCE CCN1CCc2cc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C(=O)O)ccc21 1952921350 WOEOSEQUMUHQJC-VAVYLYDRSA-N 468.553 4.908 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2079013738 PRWJMQWOODVRLK-IBGZPJMESA-N 452.336 4.651 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2CC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106858482 XHVKVFKQRZGMDC-UKILVPOCSA-N 453.627 4.830 10 10 JJCE CC(C)N1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2296546324 VAZCKCXNVHZFHB-UHFFFAOYSA-N 457.964 4.750 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2296851543 WCKATCDOHWHBKL-HNNXBMFYSA-N 481.599 4.804 10 10 JJCE COc1ccccc1OCCCOc1c(Cl)cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1OC 2297347637 PQKIDEQXSCPGFM-UHFFFAOYSA-N 497.935 4.655 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2297559052 HBKHFGIHJVSICG-UHFFFAOYSA-N 498.377 4.827 10 10 JJCE COc1ccc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCc1ccccc1 2297624925 GJMSMRDJHZHBLM-UHFFFAOYSA-N 472.566 4.722 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414577 DLZGMVQEHAFAEP-UHFFFAOYSA-N 470.664 4.995 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2293319 URHBPORDKYZICM-FMQUCBEESA-N 486.018 4.697 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)c1 14475647 IPWYCTZWFPAMLP-XLNZFTOWSA-N 469.563 4.738 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)cc2)SC1=S 40938806 YIQQBEUWUZPFIN-FXBPSFAMSA-N 455.601 4.853 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)COc2ccc(C=O)cc2)cc1 72413149 FFHAZVLZRUIMJE-VWLOTQADSA-N 461.949 4.975 10 10 JJCE CCN(CC)c1ccc(CN(C(C)=O)C2CC2)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 96290293 RQGYVIVMNPTAKP-UHFFFAOYSA-N 484.540 4.830 10 10 JJCE COc1ccc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1Br 108880915 UXYAUTRWDUVSMA-MIALFZTFSA-N 487.394 4.524 10 10 JJCE CCCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)s1 211938987 QAWUJNLHHNGUBP-QGOAFFKASA-N 496.639 4.914 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccccc3OCc3cccc(Br)c3)CC2)cc1 248137286 NOTBTYWFHLMMSC-UHFFFAOYSA-N 481.390 4.999 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 253574766 TUXOCSMDLVECEQ-VXNXHJTFSA-N 497.522 4.818 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526166252 UDZLBKMLDOAIKB-RUZDIDTESA-N 470.481 4.720 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccccc1Cl 1860344717 ATYOQAIRTOHXQJ-UHFFFAOYSA-N 482.971 4.934 10 10 JJCE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CNCc1cc(Cl)ccc1O 1860721443 UPATWOVUZPNKKN-UHFFFAOYSA-N 497.979 4.824 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)c3cccs3)c3ccccc23)SC1=S 1860827203 UVPWAVPEQDAEBF-YBFXNURJSA-N 470.597 4.652 10 10 JJCE CCOc1cccc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)c1 1861867963 ITGJFEMRSUHMDA-UHFFFAOYSA-N 456.546 4.600 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873165987 ZEWILMATOUXMBA-UHFFFAOYSA-N 475.564 4.528 10 10 JJCE CCOCCCN1C(=O)C(NCc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167229 XFTKURJTKKMQFS-UHFFFAOYSA-N 475.564 4.530 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2080047567 GSVFPKFPRJGJTN-HNNXBMFYSA-N 490.288 4.924 10 10 JJCE COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294037412 BRVGQSXYJLHHQJ-UHFFFAOYSA-N 488.515 4.897 10 10 JJCE COC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1C 2294216467 HRWJNNNUHJJZEP-UHFFFAOYSA-N 498.919 4.665 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2296726991 DQOUIKBMHUZGKO-UHFFFAOYSA-N 467.547 4.744 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccccc12 2296885416 UBUAZSNHIAAGAT-UHFFFAOYSA-N 470.019 4.772 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccc(OC)c4)c(OCC)c3)C(=O)N=C2S1 2297364660 LADHBKITLTVSCU-UHFFFAOYSA-N 492.557 4.732 10 10 JJCE O=C(O)[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2297480320 NZIYOTQDTWFMTF-GOSISDBHSA-N 480.523 4.752 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O 2314828179 RBNQGUKLRKVZBB-UHFFFAOYSA-N 462.980 4.674 10 10 JJCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836964 MKJNQCSFWLAJHK-JTQLQIEISA-N 481.382 4.920 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837579 ULTDGLIJVMRMDY-NSHDSACASA-N 481.477 4.842 10 10 JJCE Cc1ccc(CNC(=O)CCCCCNC(=O)OCc2ccccc2)c(O)c1Br 2352643792 SKAPTKIRNPAFJU-UHFFFAOYSA-N 463.372 4.566 10 10 JJCE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15046953 RKINGXCKUOVVCC-XBDQXEDDSA-N 453.372 4.927 10 10 JJCE CN1C(=O)/C(=C\c2cc(Br)ccc2OCCOCCOc2ccccc2)SC1=S 27531824 FMYVGJXNBWMFJV-XMHGGMMESA-N 494.432 4.755 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 33751710 BNZGYDSDVKYLQU-HMMYKYKNSA-N 494.642 4.707 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1OC 33932034 ZWNGKRICFJDXQE-DEDYPNTBSA-N 486.615 4.559 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC1CCCCC1 39793791 PSHHWTRQZVRVAK-JCMHNJIXSA-N 488.675 4.866 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152327 GFQLTEVETNSKJA-WIWNTQSISA-N 481.477 4.842 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 96459419 KACXODDSBZNIOR-ONVPTEKUSA-N 497.558 4.512 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)ccc1O 96475280 PSYLASZJPJFULA-KGENOOAVSA-N 459.458 4.542 10 10 JJCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 208272156 WHKDSPWYVZMZQH-CIAFOILYSA-N 490.610 4.655 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)cc1 526156314 JEWBHNIOIZYEMY-SANMLTNESA-N 472.541 4.980 10 10 JJCE C[C@@H]1Oc2ccc(N[C@@H]3CC(=O)N(c4ccc(N=Nc5ccccc5)cc4)C3=O)cc2NC1=O 913099075 GMLGKEMRQHRPNB-YCRPNKLZSA-N 455.474 4.565 10 10 JJCE CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3C(=O)OC)C2=O)cc1 1084150549 YPASHHLUAFEEEK-ZHZULCJRSA-N 455.605 4.590 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3cccc(Cl)c3n2)N2CCCCC2)cc1 1866496417 XOTCYZIKXRCDQC-QFIPXVFZSA-N 452.986 4.617 10 10 JJCE C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866987889 FNEYUUPZKNELJT-NPMXOYFQSA-N 486.955 4.752 10 10 JJCE CC(C)CCOc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871257486 IUMKHZCCTSQWGY-UHFFFAOYSA-N 465.594 4.638 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873168383 SUBNVRXVMFUVAC-UHFFFAOYSA-N 474.649 4.581 10 10 JJCE O=C(O)c1ccc(N2C(=O)C(=Cc3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)SC2=S)cc1 2053513129 IUMVPUUUTWOMCS-UHFFFAOYSA-N 496.551 4.640 10 10 JJCE CCN[C@@H](c1ccc(N2CCCC2)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163159697 CXTDHOAPIWFCAH-UIOOFZCWSA-N 466.670 4.963 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccccc1C(F)(F)F 15035686 ZHKIUUVLOPZHEK-NVNXTCNLSA-N 472.897 4.904 10 10 JJCE Cc1cccc(C)c1-n1cccc1/C=C1\C(=N)N2N=C(COc3ccccc3)SC2=NC1=O 32964234 RWALOQSXPXULCZ-CXJFQJJYSA-N 455.543 4.792 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC 33373172 JHFHPVORXGTGQS-RCCKNPSSSA-N 486.615 4.810 10 10 JJCE Cc1ccccc1NC(=O)C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)=NC1=O 54201740 MDTYJSGXUVABSR-ISKFKSNPSA-N 484.581 4.879 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c(C)n1-c1ccc(F)cc1 62694636 ZLRIAOBKMMJANC-UHFFFAOYSA-N 453.945 4.527 10 10 JJCE CCOC(=O)c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 65096319 DGIATJWJEOVAEQ-UHFFFAOYSA-N 488.993 4.542 10 10 JJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 213148671 FDTQURBAUGQSPR-AQTBWJFISA-N 451.573 4.659 10 10 JJCE Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 248087464 DTLARMBHONBDKO-FQEVSTJZSA-N 457.640 4.929 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526274076 NIHNCXZLTDWRQA-JOCHJYFZSA-N 471.868 4.965 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)c1OC 526379072 QWXSASQVDIFNCE-DEOSSOPVSA-N 477.513 4.959 10 10 JJCE C=CC(=O)N1CCC(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)(c2ccccc2)CC1 1642455067 PIQYTQPFADAYPD-UHFFFAOYSA-N 455.602 4.765 10 10 JJCE Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 1860549457 HEFADBGXYJUXRR-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860656928 AUPNQEBHKLTWDB-HXUWFJFHSA-N 483.634 4.993 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc(OC(=O)c3ccccc3)cc2)N2CCCCC2)cc1 1866003612 KOABDODQPXOKFV-MHZLTWQESA-N 471.601 4.929 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3CN2)sc(C)c1-c1ccc(Br)cc1 1866235140 ZWRPOWFYGHCBDP-SFHVURJKSA-N 485.403 4.926 10 10 JJCE Cc1cccc2c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c3c(nc12)CCCC3 1866274212 OTPXFXFLCUQTCG-AREMUKBSSA-N 453.590 4.741 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4sccc4C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969486 DALSGXQBOUROLJ-UHFFFAOYSA-N 488.617 4.533 10 10 JJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873162515 ZDSZQZMHZDWKTE-UHFFFAOYSA-N 495.579 4.808 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873163983 GPCRPVKYPSZWCI-UHFFFAOYSA-N 471.601 4.779 10 10 JJCE Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179430 DNRWPEYGZGSERF-UHFFFAOYSA-N 455.901 4.995 10 10 JJCE Cc1cccc(C)c1OCCOc1ccc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 2293142361 CFACTUALUKALBU-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2Br)c1 2293429964 DFMZZFBSWMLJRC-UHFFFAOYSA-N 455.337 4.585 10 10 JJCE CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2295905638 LQHICXYRKNOPFA-UHFFFAOYSA-N 474.677 4.919 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4cccnc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 2314952167 VLLJWUQDWMEMRY-DEOSSOPVSA-N 483.597 4.978 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)cc(Br)c1O 2332111091 XVFSQLCVAUMXAW-UHFFFAOYSA-N 469.257 4.898 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(Br)cc2O)[C@@H]1C(F)(F)F 2370312504 NAYDIQGFOAKKKT-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)CC3CCCC3)CC2)cc1 9251213 WXQLLPYDUDCLDQ-UHFFFAOYSA-N 461.562 4.923 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)c4ccccc4n3)CC2)cc1 23428373 RFWXZZJVOSPDCL-NBGIEHNGSA-N 458.606 4.879 10 10 JJCE COc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1O 34755805 LBUBESNOXAULIT-UHFFFAOYSA-N 482.531 4.810 10 10 JJCE O=C1/C(=C\NNc2nc3ccccc3s2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100273106 ZBZCKNDXKOPCSY-KTKRTIGZSA-N 460.466 4.672 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 104131978 HJUUYPPZIPHDIU-XNTDXEJSSA-N 467.821 4.718 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 586194204 CECJBUMNKPKCAE-UHFFFAOYSA-N 471.509 4.997 10 10 JJCE C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2)C1 586671902 ZILAXUQVYRWXSQ-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)CC1 1749776935 AGEFWUGWMLCQMU-UHFFFAOYSA-N 491.086 4.685 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4F)CC3)ccc21 1860606020 GMELFJSNPGNXRM-UHFFFAOYSA-N 490.918 4.745 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671519 GMUDCMWVDFBCPL-HYARGMPZSA-N 460.917 4.950 10 10 JJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)/C2=C/c2cc(OC)c(O)c(OC)c2)cc1 1865680134 ZGGFOQXOUWJMCV-UDWIEESQSA-N 464.905 4.906 10 10 JJCE CC(C)c1cccc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866420411 XADUFWFDWZLIPQ-VWLOTQADSA-N 460.622 4.675 10 10 JJCE CCNC(=O)COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972731 OTMVHBLKPHVPFV-UHFFFAOYSA-N 492.620 4.534 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(Cl)cc3C)n4C)CC2)cc1 1873650858 ZERDSZOBEHUDDU-UHFFFAOYSA-N 490.995 4.518 10 10 JJCE O=C(O)C[C@H](C(F)F)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952206634 NIJJJPOIJXHOPJ-RBBKRZOGSA-N 497.494 4.904 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2078993013 XDJMAGODRPMDCQ-GOSISDBHSA-N 468.335 4.801 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)SC(=Cc3ccc(OC)cc3)C2=S)cc1 2297450087 RSHHBFKILHABAV-UHFFFAOYSA-N 470.572 4.738 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)CC 2297499015 UHANYDNCQBXIGO-HNNXBMFYSA-N 456.589 4.809 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 2314836913 LQSMJGUCECTUDA-NSHDSACASA-N 482.505 4.648 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 2323889582 FFRJYNGZGHYXBF-UHFFFAOYSA-N 470.450 4.729 10 10 JJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 2673014 DLPQTEOYXMKHCA-ZHZULCJRSA-N 457.573 4.924 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 20704873 PSSVCHLUKGFNNV-JFNLIGNMSA-N 453.926 4.984 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 33333623 UVXICRIGDNLUPS-CPNJWEJPSA-N 470.403 4.604 10 10 JJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)cc1OC 59860902 VBOXOEBPUNDWIR-XNTDXEJSSA-N 473.323 4.980 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12 103807167 OTJCSTWDXSNLTE-LFIBNONCSA-N 470.710 4.835 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC 206885581 OOQOJRRRWUGRIA-HMMYKYKNSA-N 456.589 4.810 10 10 JJCE O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 1082838536 JFSANVLFQAQBQF-SXGWCWSVSA-N 453.873 4.723 10 10 JJCE Cc1ccc(N2C(=O)[C@@H](C[C@H]3SC(=S)N(c4ccc(C)cc4)C3=O)SC2=S)cc1 1616047689 BLUFZBNPFSWDPJ-IAGOWNOFSA-N 458.655 4.860 10 10 JJCE COc1cc(C(=O)Nc2ccc(Cc3ccc(N)cc3)cc2)c(Br)c(OC)c1OC 1865884963 YHQQAQLLKMBFQB-UHFFFAOYSA-N 471.351 4.900 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)sc2c1CC[C@H](C)C2 1865928286 ZRHMHROGHYHISW-XYJFISCASA-N 454.592 4.598 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(C)cc(C)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970431 SBTPWJMLELLTSJ-UHFFFAOYSA-N 496.615 4.780 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCC2)C1=O 1873165999 ZVOYPQIBQHJIAT-UHFFFAOYSA-N 469.585 4.915 10 10 JJCE CCOC(=O)c1ccc(CN2C(=O)C(N[C@@H](C)CC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168392 UAJXNURTRZMRIC-IBGZPJMESA-N 499.611 4.939 10 10 JJCE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c1 1873423546 DZUBCCKMDNZAJI-UHFFFAOYSA-N 471.557 4.729 10 10 JJCE O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1ccccc1C(F)(F)F 2040490345 MPSWVZJTDJQSFY-UHFFFAOYSA-N 472.897 4.865 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080036095 HSMGSISTVSEHHP-QGZVFWFLSA-N 455.384 4.812 10 10 JJCE CN[C@@H](c1ccc2c(c1)CCN2C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2163134033 UCRNVXQWMSKSPN-LSYYVWMOSA-N 465.638 4.783 10 10 JJCE COC(=O)C=C1SC(N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)=NC1=O 2296887571 WMJBPIRHGNRHCD-GBXCKJPGSA-N 457.555 4.969 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314836495 GCUAPUYLSCEWFH-INIZCTEOSA-N 466.584 4.648 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1OCC(=O)O 2314931346 FNOLAFOAXADDKS-UHFFFAOYSA-N 451.525 4.718 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 32694300 KITJQTFKMXJQHK-NDENLUEZSA-N 463.877 4.952 10 10 JJCE COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)c1 33932705 XCLXUNPLQWXGIJ-SFQUDFHCSA-N 455.586 4.535 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 39836129 RCHFXVGCRYEQLS-QGOAFFKASA-N 451.573 4.715 10 10 JJCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(Br)cc2)c1O 103997370 MYHIZHOMEOUJCG-XDHOZWIPSA-N 451.324 4.763 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]32)cc1 253570820 ODAYRFNUUYUWNW-VXNXHJTFSA-N 497.522 4.818 10 10 JJCE O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1CNc1cccc(F)c1 1084541743 PPGHFHXFASCSFB-NVNXTCNLSA-N 470.332 4.701 10 10 JJCE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)CC1 1760573774 TYVGNPJGLRAADF-UHFFFAOYSA-N 491.086 4.685 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc([C@@H]4CC4(Cl)Cl)cc3)CC2)cc1 1860290281 MZBVXDALPIEEEK-NRFANRHFSA-N 463.405 4.863 10 10 JJCE Cc1nc2ccc(NC(=O)Cn3c4c(c5ccccc53)CCN3C(=O)c5ccccc5N(C)[C@H]43)cc2[nH]1 1860347262 GHJKRSJGAZCXNJ-NDEPHWFRSA-N 490.567 4.612 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H](C)[C@H](C)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866261700 BEWRCIIEZCQSCX-QWRGUYRKSA-N 468.369 4.958 10 10 JJCE CC(C)[C@H](CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866740618 MKWPSJJHCVJMKT-HXOBKFHXSA-N 486.543 4.874 10 10 JJCE CCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314414701 JIIGWEOJGOJZGG-UHFFFAOYSA-N 478.643 4.659 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 2314509793 YWOHPFKGXUUOHT-ZDUSSCGKSA-N 455.536 4.626 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 2314831838 SYYJSOSWFGIATE-UHFFFAOYSA-N 482.505 4.737 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2533519 LHYJKBVHTNFAMN-WUKNDPDISA-N 483.453 4.594 10 10 JJCE CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccc(Cl)cc2)cc1 14610808 BGQXPICWGVDMGP-UHFFFAOYSA-N 451.914 4.589 10 10 JJCE COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1 15035846 VJWHYHIJJSOXFC-DHDCSXOGSA-N 453.372 4.842 10 10 JJCE COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 26937308 SKBHCRWZLVBHHM-UHFFFAOYSA-N 466.519 4.690 10 10 JJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1Cl 33552556 FZIDMUAKBSELSN-SILNSSARSA-N 478.932 4.658 10 10 JJCE O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 33590399 YLTQOPXOCJXHTK-MOSHPQCFSA-N 475.551 4.961 10 10 JJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 35638329 ROBWGRGBYTYGNR-PBTLCFMXSA-N 486.354 4.773 10 10 JJCE CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 96577198 DXGQAXBVORKWCM-KOEQRZSOSA-N 497.551 4.995 10 10 JJCE COc1ccc(CN2C(=O)/C(=C\c3cc4cccc(C)c4nc3N3CCOCC3)SC2=S)cc1 208279521 XNCABKPYYCKXFE-PXLXIMEGSA-N 491.638 4.790 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526191497 SBQMZBINFWFWEL-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 1087859450 ZUIXMCFPTJJVEL-KAMYIIQDSA-N 493.611 4.502 10 10 JJCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)C)C1 1760579698 UAUAXQKETXFMIG-QHCPKHFHSA-N 462.642 4.703 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]21 1860347572 YMTHVFRTFUNNBY-HHHXNRCGSA-N 495.539 4.725 10 10 JJCE CCOC(=O)c1c(NC(=O)CC[C@@H]2CCC(=O)N2)sc(C)c1-c1ccc(Br)cc1 1866204377 YAPYPFCIQLHNOJ-HNNXBMFYSA-N 479.396 4.660 10 10 JJCE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccc(Cl)cc1 2314487815 SKTCAWHUVKUCPD-UHFFFAOYSA-N 483.796 4.609 10 10 JJCE CCCc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)s1 2314489571 RSISQKBCYXTIPY-UHFFFAOYSA-N 494.667 4.986 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2321585803 ONANFULVHHUPMW-UHFFFAOYSA-N 452.326 4.621 10 10 JJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141003 BAHSKDNWMKOLBL-UHFFFAOYSA-N 472.295 4.715 10 10 JJCE Cc1cc(-c2csc(NC(=O)Cn3c(=O)cnc4ccccc43)n2)c(C)n1-c1ccc(F)cc1 9658862 XAPHVPGICKABDY-UHFFFAOYSA-N 473.533 4.705 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1cccc(S(=O)(=O)NC2CC2)c1 10911046 ZKHHHBKSBQOEPL-AREMUKBSSA-N 472.566 4.506 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)N2CCN(c3ccccc3)CC2)C1=O 33436698 YHPLMYCALSKPCJ-GPUBQFNJSA-N 491.682 4.963 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2)N1CCc2ccccc21 36550968 RVULWGKMUQNUID-CUVVAGTFSA-N 460.555 4.676 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1OC 96585273 MSUSOJWPWVJREF-SXGWCWSVSA-N 473.323 4.980 10 10 JJCE COC(=O)/C=C1/SC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=NC1=O 229160874 WMJBPIRHGNRHCD-CHZZFYJNSA-N 457.555 4.969 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526379338 AQMQKFJXPCWWHQ-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O 1084115593 CPALBRCBGKWUNN-DHDCSXOGSA-N 452.351 4.578 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(Cl)nc4)c4ccccc34)[C@@H]21 1860344929 IJPIVFOMFJMFAU-AREMUKBSSA-N 485.975 4.865 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329890 SEVGJFMDXYNILJ-RRPNLBNLSA-N 478.681 4.693 10 10 JJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873165785 VGTRXNWFCYKJTR-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873166016 YMYRPNFVCYECQF-UHFFFAOYSA-N 489.591 4.918 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CC(C)C)C2=O)cc1 1873423584 FRLZADAGEFAVCY-UHFFFAOYSA-N 457.530 4.671 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cccc(O)c2O)C1 1952447454 FYLNYBIGFBHQHN-QMHKHESXSA-N 459.498 4.885 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 2294581429 WVBLJRAWJGSCSO-UHFFFAOYSA-N 458.301 4.656 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4cccc(C)c4)c(Br)c3)C(=N)N2O1 2297347594 LGEIZEIGWXWHRB-UHFFFAOYSA-N 482.334 4.666 10 10 JJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC)C(=O)O 2314933718 XEQVZNCEJQGRRT-KRWDZBQOSA-N 457.573 4.960 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(Br)ccc2O)[C@@H]1C(F)(F)F 2370310782 UECAZVFWSIIVJP-DZGCQCFKSA-N 453.299 4.575 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2c(O)cccc2Br)[C@H]1C(F)(F)F 2370315605 UGOSFSOYFUDUMY-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 1236987 GPMMOGJZHSUYDI-RQGFIEOQSA-N 459.390 4.942 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1O 14459136 NHFMTJGYFUJVNX-LZCXECNNSA-N 462.571 4.706 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(C)cc(C)c3)ccc21 20729383 ARVWMCGYBWSLRL-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cccn3-c3ccccc3C)C(=O)N=C2S1 32964306 SODILXGLLOZMAL-GBEVANGZSA-N 455.543 4.792 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066494 HAMJDOCPNJGGKY-NDENLUEZSA-N 484.622 4.801 10 10 JJCE CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 59377671 AEDDSXIBKODAFT-KGENOOAVSA-N 486.615 4.932 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 59595273 UTLHQYSKUZJSPM-JAIQZWGSSA-N 495.988 4.596 10 10 JJCE COc1ccc([C@@H]2CN(Cc3ccc(OC)cc3O)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 105042301 ILVAQNHNQBAJHN-YWEHKCAJSA-N 492.591 4.813 10 10 JJCE CC(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586692420 NGFSACZFINSEES-UHFFFAOYSA-N 455.514 4.882 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC1CCCCCCC1 1860344739 CGXZORGURGUNJZ-UHFFFAOYSA-N 454.574 4.803 10 10 JJCE COc1cc(Br)cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)c1O 1865672164 NZJYVEOMNBCRCY-ZSOIEALJSA-N 455.230 4.507 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873168561 ZPPPDSIBOCJNFD-QFIPXVFZSA-N 471.601 4.950 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1Br 2080043172 QMHAFVORVOSFCQ-KRWDZBQOSA-N 451.361 4.833 10 10 JJCE CC(C)(C)OC(=O)NC1([C@H](N)c2ccc(N3CCCC3)cc2)CCN(Cc2ccccc2)CC1 2163152366 SFCHZLNPYOHVQO-RUZDIDTESA-N 464.654 4.846 10 10 JJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 2294093826 SXDHAGBNOBDRPD-UHFFFAOYSA-N 499.910 4.738 10 10 JJCE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2296073676 UNVHHUBOSOKFPZ-UHFFFAOYSA-N 453.527 4.636 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 2296398103 STKMMGPKVPFQJU-UHFFFAOYSA-N 464.551 4.976 10 10 JJCE O=C(NN1C(=O)C(=Cc2c(F)cccc2Cl)SC1=S)c1ccc(Br)cc1 2314765069 SZJAIJBBRKHTFV-UHFFFAOYSA-N 471.760 4.788 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)cc1 1878513 LZGOWCAUAQCNQJ-KQWNVCNZSA-N 474.542 4.956 10 10 JJCE Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 20356335 XAPWDXUIXDRQLX-KPQRNUFCSA-N 489.601 4.515 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1OC 33409249 LYBGURQVTHJEJA-DHDCSXOGSA-N 459.296 4.672 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)ccc1O 36551208 UAQOSJDXLCJSGI-IZVMNLJQSA-N 474.582 4.979 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 103704067 AUGNMUSTKAHLRX-CXJFQJJYSA-N 463.559 4.937 10 10 JJCE CCOc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)NC2=S)c1 1084125274 PAFHWIJWXBHWQI-ZHZULCJRSA-N 464.568 4.969 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1F 1084534277 ZJIKGBHVUAAJCR-PDGQHHTCSA-N 482.309 4.662 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3ccc4cccnc4c3n2)N2CCCCC2)cc1 1866514139 GYCIZPXSQLRZAQ-XMMPIXPASA-N 469.589 4.512 10 10 JJCE CC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868947081 SIPMPQUFGACXIK-GJZUVCINSA-N 483.628 4.598 10 10 JJCE CCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870607288 JRCVZHVBXVNXDO-UHFFFAOYSA-N 491.632 4.567 10 10 JJCE CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 1874017262 MJCACYJYXNVMLU-UHFFFAOYSA-N 481.504 4.847 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 2194931314 TXQZNICFLUYTJA-CRRLPVGBSA-N 464.654 4.530 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3cc(Br)cs3)cc2)CC1 2286065558 KSZWBIRIUQCSAA-GOSISDBHSA-N 452.418 4.616 10 10 JJCE COc1cccc(NC[C@@H](O)Cn2cc(C=C3C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 2296203794 SDVRLQGTPDLGTB-XMMPIXPASA-N 480.568 4.929 10 10 JJCE CC(C)C1=NN2C(=N)C(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N=C2S1 2297499439 DZZHKEVBRXLPMG-UHFFFAOYSA-N 472.530 4.873 10 10 JJCE CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 2313560393 RSRKRYSSDMSEKX-UHFFFAOYSA-N 451.822 4.517 10 10 JJCE O=C1C[C@@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 2314399406 XQZXUKMSINVUKX-OAHLLOKOSA-N 496.919 4.892 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)SC1=S 2331592356 AOLKXKMICMHXGU-KRWDZBQOSA-N 454.617 4.800 10 10 JJCE CCCCCN1C(=O)/C(=C2/SC(=S)N(CCC)C2=O)c2cc(Br)ccc21 2533518 SINCXXPDOAEZLX-FOCLMDBBSA-N 453.427 4.967 10 10 JJCE CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14462888 COYULCCRYSQAME-JCYRPKCISA-N 451.636 4.573 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 14471530 YRUYYGDCSOSZCM-ZEVJAHDQSA-N 475.570 4.942 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)ccc1Cl 27527770 UKJZAMBWHCZOTQ-PDGQHHTCSA-N 464.861 4.891 10 10 JJCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)o2)cc1 40322370 NYEVKJLMKVUTRI-UHFFFAOYSA-N 478.570 4.922 10 10 JJCE CCCCc1ccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 65133699 MKISQKQFULCTMN-UHFFFAOYSA-N 491.661 4.885 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526147542 NGLCIKQMKPHADC-JOCHJYFZSA-N 483.904 4.834 10 10 JJCE CC(=O)N(c1ccc(C)cc1)c1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 1642549103 SAZFVVBEPGBJGU-LJQANCHMSA-N 450.608 4.824 10 10 JJCE CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865677460 KDXWOMBWINQGHE-HAVVHWLPSA-N 477.605 4.914 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(Br)cc1 1865867641 ANGSHYDBZMXVCO-LSDHHAIUSA-N 478.364 4.878 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868701051 XPVRTFHMSPQFQL-LEAFIULHSA-N 483.628 4.598 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)CC2)cc1 1874727775 ANSJYJFGKUNDCG-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1Cl 2040520524 XIJUNEBEUKISNY-UHFFFAOYSA-N 495.004 4.894 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079026804 JBWBQAUIJYSYOB-MRXNPFEDSA-N 470.351 4.831 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 2296709055 JZPCUWPKMREXAB-KRWDZBQOSA-N 478.643 4.923 10 10 JJCE Cc1cccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)c1 2297322507 QVRWXCIPARSBJT-UHFFFAOYSA-N 451.323 4.777 10 10 JJCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2297559136 SFVXBJYQEALDEJ-UHFFFAOYSA-N 487.320 4.783 10 10 JJCE Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 2313559791 TVQURCFZAJAIEE-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE COc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314934154 YLBAIUGGTBDOIR-LLVKDONJSA-N 494.388 4.715 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3F)C2=O)cc(Br)c1O 2323854543 QWDNHKLGPMHCNM-UHFFFAOYSA-N 454.342 4.704 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 12565466 OMLURQRXMUIFJU-JCMHNJIXSA-N 485.496 4.565 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 16915017 HXVULCDOTCFODI-FRKPEAEDSA-N 470.355 4.871 10 10 JJCE COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Cl 20032358 CGEQVQANXRZXQY-SNMDACFJSA-N 455.923 4.583 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1OC 33315601 FXQZMLJKOAZCPF-CPNJWEJPSA-N 477.007 4.977 10 10 JJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 33698442 BGZCNRZVJPNHCY-PXLXIMEGSA-N 478.505 4.786 10 10 JJCE COc1ccc(N2CCN(C(=O)Cc3csc4nc(-c5ccc(C)c(C)c5)cn34)CC2)cc1 65079708 HAMBONQWDCHLKK-UHFFFAOYSA-N 460.603 4.580 10 10 JJCE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl 95535987 MEZMZMVPNZEBJX-DEDYPNTBSA-N 464.905 4.855 10 10 JJCE COc1ccc(CCN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 205962087 DJYPZWTWOVLHPX-LGUFXXKBSA-N 471.557 4.570 10 10 JJCE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCSc1nccs1 1705607648 LGXYKFAVUNRZJP-UHFFFAOYSA-N 468.471 4.868 10 10 JJCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CC(C)C)C1 1705930331 KYLNYEGGQQBBBU-QHCPKHFHSA-N 495.693 4.826 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc(OC(C)C)cc1 1857997669 JPYYLJDTYKZXOK-UHFFFAOYSA-N 473.526 4.897 10 10 JJCE CCCCCOC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858848245 HJZJUTVTXOPBPX-UHFFFAOYSA-N 487.512 4.613 10 10 JJCE CC(C)c1cccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866499102 COJQJZCJSCERRH-VWLOTQADSA-N 460.622 4.675 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5ccc(F)cc5)[nH]c4c3)CC2)cc1 1872824923 LOERUEBKHJFYCA-UHFFFAOYSA-N 476.577 4.965 10 10 JJCE CC[C@@H](C)OC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1872957814 IFQOTUPUTGVTMB-GOSISDBHSA-N 458.514 4.892 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873169705 SUDALOJOYJEJKP-QHCPKHFHSA-N 484.644 4.867 10 10 JJCE CCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421476 AFINOAJYGWXALD-UHFFFAOYSA-N 458.518 4.913 10 10 JJCE Cn1ccc2ccc([C@@]3(C(=O)O)C[C@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cc21 1952695698 KTDRYFONYKTOBH-NAKRPHOHSA-N 452.510 4.812 10 10 JJCE COc1cccc(O)c1[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1997941505 SEWRRGMYJKLFSO-VWLOTQADSA-N 459.498 4.940 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079874440 FEEJEEWAXKRFIT-AWEZNQCLSA-N 494.276 4.562 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080011632 CVUWHSDOKGEHPZ-QGZVFWFLSA-N 454.352 4.599 10 10 JJCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C1 2296706717 LNIIMAPVYXMTKD-QZTJIDSGSA-N 490.654 4.578 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413547 AELLXRLBYKWEHQ-UHFFFAOYSA-N 494.617 4.534 10 10 JJCE O=C(O)CNC(=O)CCCCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314831476 LZTBXSFTWKODTC-UHFFFAOYSA-N 492.622 4.955 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1OC 33458450 KKIRUFFSDICSQP-XNTDXEJSSA-N 466.378 4.881 10 10 JJCE O=C1/C(=C/N2CCCCC2)SC(=S)N1c1cc(Br)cc(Br)c1 59397172 NHPDSJQJRYYILY-LCYFTJDESA-N 462.232 4.904 10 10 JJCE Cn1c(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc2cc(Cl)ccc21 107841599 UIRKPNMQWNBHCO-UHFFFAOYSA-N 461.930 4.733 10 10 JJCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C)cc1C 170550919 YYDZSKAFZJZJFS-UHFFFAOYSA-N 453.929 4.798 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCC)C2=O)c2ccccc21 206864277 JTGKDBYWPFIQAQ-FMQUCBEESA-N 460.621 4.528 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1O 226643299 OTMRBJRGZHHTKU-VHSZZVNMSA-N 476.598 4.748 10 10 JJCE COCCCN(Cc1cc2c3c(c(=O)oc2c(C)c1O)CCCC3)C[C@H]1CCCN2CCCC[C@H]12 1614472981 YKAXHYVEUYDLRX-QFQXNSOFSA-N 482.665 4.789 10 10 JJCE CC(C)CC(=O)NCc1ccc(OC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858892764 JYEBXKHPKUATEN-UHFFFAOYSA-N 456.498 4.735 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 1860344965 KNSLAVOXNPDKIY-UHFFFAOYSA-N 479.496 4.511 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCCc2ccccc21 1860345104 UCPNZBTYFHTIQB-UHFFFAOYSA-N 474.564 4.944 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C)c1-c1ccc(Br)cc1 1865876521 PVEZORPTJAXKEN-UHFFFAOYSA-N 478.320 4.642 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCCN(C)C)C2=O)cc1 1873421120 IBFMJPUKQLJZNG-UHFFFAOYSA-N 478.543 4.516 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(F)c(F)c4F)c3)CC2)cc1 1874724102 ZHCKXNJSNBTICC-UHFFFAOYSA-N 497.517 4.760 10 10 JJCE CC(C)[C@H]1C[C@@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 2194920321 AEFANAFVMXMPBB-NAKRPHOHSA-N 466.670 4.776 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296537532 UWKPXBDJELUXAB-UHFFFAOYSA-N 496.522 4.817 10 10 JJCE CCCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1 2297467815 JUJWYZKYGXUSCU-UHFFFAOYSA-N 465.579 4.921 10 10 JJCE Cc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297470690 RWASNJDBSFXVOO-UHFFFAOYSA-N 451.861 4.929 10 10 JJCE O=C(O)CCCCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccccc3)cc2)SC1=S 2314548643 LGKXVVADZDWYAF-UHFFFAOYSA-N 467.568 4.762 10 10 JJCE O=C1C(=Cc2cc3ccccc3nc2N2CCOCC2)SC(=S)N1CCCc1ccccc1 2314648369 YHXGJZCSYBVQTM-UHFFFAOYSA-N 475.639 4.905 10 10 JJCE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(NC(=O)c4ccccc4C)C3=O)c3ccccc32)cc1 2314716677 FQXYHJOFUSHGFS-UHFFFAOYSA-N 499.617 4.767 10 10 JJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314836965 MKJNQCSFWLAJHK-SNVBAGLBSA-N 481.382 4.920 10 10 JJCE CCCC[C@@H](NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330393402 AMDZNMXTZITHMO-HHHXNRCGSA-N 477.649 4.856 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 2238333 KJQJHSKINUIQNR-GZTJUZNOSA-N 455.239 4.515 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470751 NKTBKHHHPLFBEN-HOIFWPIMSA-N 459.955 4.859 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc1)CC[C@@H](C)C2 20532493 JPSUZRFCIBTOKW-XMMPIXPASA-N 484.688 4.848 10 10 JJCE Cc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066592 CGSLOCVISQJHGR-BKUYFWCQSA-N 478.643 4.711 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 100275996 SQSGQVBMPRRGJH-KOEQRZSOSA-N 482.536 4.890 10 10 JJCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 253579565 ZUTQABWRGMXQJI-MJXTXFFVSA-N 485.923 4.592 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(C)ccc3OC)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526449681 ZNFGGQJLKMYWNC-VWLOTQADSA-N 477.513 4.879 10 10 JJCE C/C(=C/C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21)c1cnccn1 1586926505 XUHOEWGUZNPGEP-SYCZXOQXSA-N 458.356 4.505 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C(C)C)cc4)n4ccccc34)CC2)cc1 1858226678 FNPOCWBONSEIQK-UHFFFAOYSA-N 497.599 4.681 10 10 JJCE COc1cc(OC)cc(N2C(=O)/C(=C\c3c(Cl)nc4scc(C)n34)SC2=S)c1 1860087578 HNFZZYAFNIMQHL-VGOFMYFVSA-N 451.982 4.781 10 10 JJCE CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 1865672410 BMBSQSMDMVLFLD-OVCLIPMQSA-N 450.130 4.719 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869249148 WKRQUBNJGPGAHD-UHFFFAOYSA-N 494.039 4.747 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873170230 RLDVWYKCAVTGJR-UHFFFAOYSA-N 485.628 4.823 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873170705 MRUMZBTZKZLXNJ-UHFFFAOYSA-N 486.660 4.748 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080037317 ZCDSBWCLKLASHY-KRWDZBQOSA-N 498.361 4.676 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2294133710 BNRMYDJSLDMMCX-UHFFFAOYSA-N 472.240 4.828 10 10 JJCE CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 2313682403 BSMHGCXCIUYWRR-UHFFFAOYSA-N 470.485 4.909 10 10 JJCE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(=NCc2ccc(Br)cc2O)[nH]1 2362658309 NDRNCSIVRGUOOI-MRXNPFEDSA-N 456.406 4.867 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1C 33342535 WMUKRYAWUQFFSM-KGENOOAVSA-N 493.610 4.922 10 10 JJCE COc1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)cc2OC)cc1 33424399 JLNZAWFATFVTTB-CJLVFECKSA-N 488.496 4.668 10 10 JJCE O=C1/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33516541 PFJDWSGOFINCEI-HMMYKYKNSA-N 476.627 4.841 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 34829291 KNJGIJBMFHFMMJ-TWQQJCIXSA-N 464.616 4.787 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526343458 JHOBMDZSNYSMGK-VWLOTQADSA-N 477.513 4.959 10 10 JJCE CC[C@H](Oc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC)C(=O)O 1614238868 OQDRLXXYELVMOC-RIYJBUKFSA-N 457.573 4.900 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)C(=O)c3ccccc3C4=O)C2=O)cc1 1860086893 NLGAJAKHGQFYLT-CIAFOILYSA-N 457.532 4.876 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2)sc(C)c1-c1ccc(OCC)cc1 1860748303 XRRUNKPZCSRSJD-UHFFFAOYSA-N 482.558 4.885 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)N=C2C)cc1OC 1865675493 KZOIJKCANPCDND-LFVJCYFKSA-N 477.605 4.833 10 10 JJCE CCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867373719 QTFZBZPNPQKXFJ-JWQCQUIFSA-N 485.072 4.648 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868940601 QKAVAFKPMBPTCX-JOCHJYFZSA-N 483.628 4.598 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424226 MIEDCQXXLGRFML-KRWDZBQOSA-N 471.557 4.871 10 10 JJCE CN(C)c1ccc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)cc1 1927497862 FZJZMNKKAANETL-RPLLCQBOSA-N 462.521 4.929 10 10 JJCE Nc1ccc(C[C@@H](O)c2sc(Br)c(Br)c2Br)cc1 2222454649 FGZGBLBNKQPVPS-MRVPVSSYSA-N 455.997 4.894 10 10 JJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 2294092627 AFTSMAGAGWSXRW-CQSZACIVSA-N 457.324 4.601 10 10 JJCE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl 2296147195 KEXOODWMQITNLF-UHFFFAOYSA-N 480.033 4.862 10 10 JJCE Cc1ccc(C)c(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)c1 2297468579 YCKZGOXCVDTBPS-UHFFFAOYSA-N 454.559 4.773 10 10 JJCE COc1ccccc1C=C1SC(=S)N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O 2314836488 FZRCDQRGHHUMLN-GFCCVEGCSA-N 466.506 4.942 10 10 JJCE O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 1174058 CFQBOPNVOBWKLF-MTJSOVHGSA-N 465.465 4.925 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643837 UJDDTMOQAJLNAM-FXSPECFOSA-N 451.636 5.000 10 10 JJCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15047263 MKJNQCSFWLAJHK-QNKACBJSSA-N 481.382 4.920 10 10 JJCE CC(=O)N(C)c1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 105571032 MDTKSZMWDBJNPL-VQERKYHCSA-N 477.506 4.576 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 207316896 FWCAYFIBOBNNFT-XMHGGMMESA-N 478.599 4.974 10 10 JJCE CC(C)[C@H](C(=O)NC(C)(C)C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606671901 BYWRTOQZGATABY-BAAYTWLHSA-N 455.443 4.590 10 10 JJCE CC(C)(C)c1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(C(C)(C)C)c1O 1084326927 LQHYRRPSROLDNT-PTNGSMBKSA-N 454.567 4.958 10 10 JJCE CC(=O)c1cc(F)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1O 1620324222 NVQIMFGQTNMUEB-IFMALSPDSA-N 460.521 4.756 10 10 JJCE CCCCCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858848772 NVVMBLGSBCRQEG-UHFFFAOYSA-N 487.512 4.613 10 10 JJCE COC(=O)c1c(NC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)c(C)c1 1866241202 SMGJYOOUCVGHKK-UHFFFAOYSA-N 491.569 4.535 10 10 JJCE Cc1cccc2c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c3c(nc12)CCCC3 1866274213 OTPXFXFLCUQTCG-SANMLTNESA-N 453.590 4.741 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)c2c3c(nc4c(Cl)cccc24)CCC3)c2nccn2C)cc1 1866275214 KUSSGFPGXPUKGR-QHCPKHFHSA-N 459.981 4.696 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(C)ccc(O)c3[nH]2)sc(C)c1-c1ccc(C)cc1 1866555880 YNXMUPIZPOSSBS-UHFFFAOYSA-N 462.527 4.926 10 10 JJCE CC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868912052 JYYXLLXOFNIWSN-SANMLTNESA-N 496.611 4.701 10 10 JJCE CCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870687754 ZCPVMLUZTMEOFS-UHFFFAOYSA-N 475.633 4.601 10 10 JJCE CCCCc1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871302163 JRHRSMUOTMLPAO-UHFFFAOYSA-N 462.554 4.806 10 10 JJCE COCCn1cc(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc21 1874179678 KOJFFEMLSDAOAW-UHFFFAOYSA-N 452.510 4.634 10 10 JJCE CN(CCN(Cc1ccccc1)c1cc2c(cc1Br)[C@H](O)C(=O)N2)Cc1ccccc1 1946813793 WXEMFZFGFDPYSC-DEOSSOPVSA-N 480.406 4.573 10 10 JJCE CC(Nc1cc([N+](=O)[O-])ccc1O)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2296809646 NPEOAPLOQLMKRP-UHFFFAOYSA-N 463.397 4.561 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3ccccc3Br)C2=O)c1 2313502082 OALVIRZUDDNIDE-UHFFFAOYSA-N 465.394 4.737 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1 2313541119 UKLGKOZMTZOEAK-UHFFFAOYSA-N 480.879 4.733 10 10 JJCE C[C@@H]1CN(C(=O)CCN2C(=O)C(=Cc3ccccc3OC3CCCCC3)SC2=S)C[C@@H](C)O1 2314486637 AHMQMUATQOKZDF-QZTJIDSGSA-N 488.675 4.625 10 10 JJCE Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314837168 PCTLPQDTZULFKU-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)C2=Cc2cc(OC)c(OC)cc2OC)cc1 2332141120 IVELWKPUDMZSRW-UHFFFAOYSA-N 476.504 4.690 10 10 JJCE O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccc(Cl)cc1 1504690 PPXJEWLVKOPPFJ-ZROIWOOFSA-N 453.770 4.649 10 10 JJCE CCCCN1C(=O)/C(=C2\C(=O)N(CCCC)c3ccc(Br)cc32)SC1=S 2508989 CDUBKZUBUMMBDV-FOCLMDBBSA-N 453.427 4.967 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(O)cc2O)N3)cc1 13639530 BCLDXINCVCUALZ-WZOHSFFVSA-N 464.543 4.734 10 10 JJCE COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 15035755 WYOIKCWHBDCEAW-SXGWCWSVSA-N 452.479 4.554 10 10 JJCE O=C(Nc1c(Br)cc(Br)cc1Br)c1cccc(O)c1O 126242292 QKRHMDRPZFDAIM-UHFFFAOYSA-N 465.923 4.638 10 10 JJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)c1OC 526205137 XLWFAUAMSSANLQ-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCCC4)cc3)ccc21 728637016 GOHHZMDZNIYPKV-HXUWFJFHSA-N 463.578 4.689 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ncccc1OCC(=O)c1ccccc1 1858865771 XYQZTNJEJIGFAH-UHFFFAOYSA-N 477.476 4.763 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H](N)CCSC)sc(C)c1-c1ccc(Br)cc1 1865920531 IYDVXJBNPVIGDZ-CQSZACIVSA-N 471.442 4.682 10 10 JJCE CC[C@](C)(NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866617562 WTBDKOZEJQUNNJ-PMERELPUSA-N 491.547 4.790 10 10 JJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@@H]2C)n1 1868228768 WJAJKDDUXWWRAE-IRXDYDNUSA-N 456.546 4.733 10 10 JJCE CCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871132875 HFPFYXDPNVLFSS-UHFFFAOYSA-N 462.594 4.909 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873170299 URIJGCIEMFONPS-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE CCN1C(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422841 RXJMTVXVTQDHHG-UHFFFAOYSA-N 470.573 4.901 10 10 JJCE CC(C)[C@H](C(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951900576 FTDNPRCMSROPRN-BVAGGSTKSA-N 475.541 4.904 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2cccc(O)c2O)C1 1952447461 FYLNYBIGFBHQHN-WAIKUNEKSA-N 459.498 4.885 10 10 JJCE CCN1C(=O)C(=Cc2cc(Cl)c(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S 2293792122 QDHFNPXPWWPLHY-UHFFFAOYSA-N 451.928 4.928 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1 2296337009 KHPKUGLLXMSVKA-UHFFFAOYSA-N 495.988 4.596 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)cc1 2297335593 DBLVYMWMSHSXNV-UHFFFAOYSA-N 470.510 4.791 10 10 JJCE O=C(O)CCCCCN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)SC1=S 2323809058 PPQUEHDRGIRNAZ-UHFFFAOYSA-N 464.790 4.654 10 10 JJCE COc1ccc(N2CCN([C@H](c3ccc(Cl)cc3)[C@@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15017455 HHFJQLQARYXSPS-IXCJQBJRSA-N 490.003 4.937 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12 20439416 ZWBMYQHRHYJZFG-RWJNZEQESA-N 476.580 4.871 10 10 JJCE COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 33301343 AYWFPYJUJLIDPQ-FYJGNVAPSA-N 486.480 4.788 10 10 JJCE COc1ccccc1OCCn1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21 33928738 UUKXWGQBNUBANA-LMEPTBFJSA-N 458.543 4.896 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 59180620 NQNDRZMMAVIQRO-WSVATBPTSA-N 460.939 4.768 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(Cl)c1OC 59198208 FQUQJRHPNFADOW-QPEQYQDCSA-N 465.687 4.626 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Br)c1OCC 83293506 XLEGYQXBMZZPOD-GDNBJRDFSA-N 459.296 4.753 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOCCOc4ccccc4C)c3)C(=O)N=C2S1 102966144 AGRUHLYKQHRESI-FODUTYMCSA-N 492.601 4.889 10 10 JJCE Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c(C)n1-c1ccccc1F 105638628 CBTRBKBWSGWZIZ-FQEVSTJZSA-N 450.514 4.786 10 10 JJCE COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3cc(C)c(C)cc3C)cc2)SC1=S 206836342 LMZDOCNLVHCAPN-BKUYFWCQSA-N 455.601 4.955 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526191766 XQBMWIRQIHHSMF-QHCPKHFHSA-N 483.904 4.834 10 10 JJCE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526567621 OVOHPTTZRJSTML-RUZDIDTESA-N 489.524 4.657 10 10 JJCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc(Br)s2)nc1-c1cccs1 1858070655 ZGMIIRGFKAZFLQ-UHFFFAOYSA-N 479.424 4.514 10 10 JJCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596519 VMFFXTODRQJALS-HPGNCICHSA-N 464.790 4.509 10 10 JJCE Cc1ccccc1NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871155607 LWGHZADRRXGNGK-UHFFFAOYSA-N 498.583 4.522 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1873169882 HCAJELTWUYWSEO-YADARESESA-N 463.622 4.769 10 10 JJCE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC 1873552470 MXZYFBNLQWMABN-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE COc1ccc(O)c([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952794390 PDFRDKBWGGVZJU-OFVILXPXSA-N 459.498 4.798 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3SC(=O)N(C)C3=O)c2C)ccc1I 2296968783 CMQZWAXNRLXVSN-UHFFFAOYSA-N 452.317 4.673 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1cc2cc(Cl)ccc2[nH]1 2297580026 HTDZXELPMRZGMM-UHFFFAOYSA-N 476.048 4.833 10 10 JJCE COc1ccc(N2CCN([C@@H](c3ccc(Cl)cc3)[C@@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15017458 HHFJQLQARYXSPS-XTEPFMGCSA-N 490.003 4.937 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc(F)ccc4F)C3=O)c2C)c1 22224546 VDYJGWCZQKBVMQ-RUZDIDTESA-N 483.540 4.744 10 10 JJCE CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(Br)cc4)c3)C(=O)N=C2S1 27531180 SMXSWBRHKYGORL-PCHQCWAOSA-N 499.390 4.936 10 10 JJCE CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)cc1 33291775 RJACRGPBKHWAGJ-HMAPJEAMSA-N 490.585 4.871 10 10 JJCE O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35515833 FNDQZSDYOCIQSO-KGENOOAVSA-N 471.563 4.970 10 10 JJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 38732562 FBUOOGVMFIOIGX-ZHZULCJRSA-N 483.659 4.932 10 10 JJCE COc1ccc(N2CCN(CCNC(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1 58013539 FYIRKLLXDLKQQA-UHFFFAOYSA-N 472.614 4.524 10 10 JJCE CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C1/C(=O)Nc2ccc(Br)cc21 101648089 JMCNRXXTTHZVKX-FOCLMDBBSA-N 450.214 4.596 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1OC(=O)c1ccco1 102464963 MHGIUQNNWSYVMF-AKZLBXIRSA-N 489.484 4.951 10 10 JJCE C[C@H]1CN(C(=O)CCN2C(=O)/C(=C\c3ccc(OC4CCCCC4)cc3)SC2=S)C[C@@H](C)O1 211941423 HUHSYLDNJHVBEU-SCBQMXHTSA-N 488.675 4.625 10 10 JJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526275560 CBSWXEXNGJSLJX-RUZDIDTESA-N 472.541 4.995 10 10 JJCE C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867320251 PABQYLVGPGJHJC-UZUQRXQVSA-N 491.463 4.521 10 10 JJCE CCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870405901 CEFDAIPBWXRRSI-UHFFFAOYSA-N 482.024 4.822 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873424193 NDBAPUPVKVFRAA-UHFFFAOYSA-N 458.518 4.911 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(Cl)cc(Br)c1O 1952859708 BESHIBLWATVDME-CZUORRHYSA-N 454.704 4.593 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2079060635 KCHJQILOPDIQOL-HNNXBMFYSA-N 476.261 4.615 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C=O)c2I)C2(C)CC2)c(O)c1 2080025818 SIHOFOZHTHZBHJ-GOSISDBHSA-N 466.319 4.671 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNCc2cc(Cl)cc(Br)c2O)C1 2101315969 AXMYHWUOTZGLQF-GOSISDBHSA-N 451.764 4.637 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2124540587 JOCRCIMBVIHWHO-HYBUGGRVSA-N 457.575 4.522 10 10 JJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1cc(Cl)ccc1Cl 2296559972 JRPDTQVWFFUDKZ-UHFFFAOYSA-N 488.302 4.679 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314827373 CQAVAJPZJJSGDS-UHFFFAOYSA-N 498.626 4.831 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 2314936496 YSTOTKSSTBADBQ-UHFFFAOYSA-N 471.556 4.547 10 10 JJCE CN1C(=O)COc2cc(N3C(=O)C(=Cc4ccc(Cl)cc4Cl)SC3=S)ccc21 2321736754 XKVHIFSKJWJSDY-UHFFFAOYSA-N 451.356 4.754 10 10 JJCE CCc1ccc(C(C)=CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329536628 XDLNAYMJMMWIHV-UHFFFAOYSA-N 480.564 4.961 10 10 JJCE COCCCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S 2682720 OAOFAELYVHTVAS-UPPKGELVSA-N 453.585 4.852 10 10 JJCE O=C(O)CN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC1=S 2991920 KNAHXGZXXMICOW-CHHVJCJISA-N 484.433 4.692 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)OCc1ncc(-c2ccc(F)cc2)o1 11675325 SVLFTRDKXCYKGB-ODLFYWEKSA-N 486.521 4.955 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 15046572 VPVGIMNICIKRHO-NJPLLEPOSA-N 466.506 4.942 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 33377865 RICMTCKNTOGDEQ-SGEFVQMOSA-N 463.964 4.602 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 33777619 GNIBTSDJFUCTOY-ONADPJLJSA-N 479.558 4.555 10 10 JJCE Cc1cccc(CSc2nnc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1 39885743 GEMIOXLKISXVGN-BOPFTXTBSA-N 498.680 4.979 10 10 JJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990042 FHZULKZFGIDBFB-STZFKDTASA-N 484.691 4.819 10 10 JJCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)cc2c1 208280687 FUEUFHGREZEALC-HAVVHWLPSA-N 475.639 4.824 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210704533 CQAVAJPZJJSGDS-HEHNFIMWSA-N 498.626 4.831 10 10 JJCE OCC1CCN(c2ccc(CNc3ccc4nnc(-c5cc(Cl)cc(Cl)c5)n4n3)cc2)CC1 726967162 CBTWVCCXALVZMZ-UHFFFAOYSA-N 483.403 4.919 10 10 JJCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)O[C@@H](C)C2 730539669 HTYCTLAJTQPOJU-DZYGSZDNSA-N 478.633 4.786 10 10 JJCE Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1cccc(Br)c1 763576774 CEXLDTFUOOKAPF-UHFFFAOYSA-N 486.454 4.764 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S 1084193599 SCEGFEBTUKRJII-VIZOYTHASA-N 451.323 4.777 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc2)CC1 1466882743 QORYSTTZJQGXAN-UHFFFAOYSA-N 454.014 4.527 10 10 JJCE COc1cc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)c(OC)cc1Cl 1860084106 DQMYKFATPMIPOR-CAOOACKPSA-N 451.953 4.780 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)cccc21 1860590219 RBCSPZLIJCMGQV-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE CCC[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862157449 MOMGKHGSIAJPQZ-JHKHSNKQSA-N 490.431 4.649 10 10 JJCE CCc1sc(NC(=O)c2ccc(O)nc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865973626 UQHPFXJQMSJVOM-UHFFFAOYSA-N 461.337 4.880 10 10 JJCE COC(=O)c1c(NC(=O)[C@H](C)[C@H](C)C(=O)NC2CCCC2)sc2c1CC[C@@H](C(C)(C)C)C2 1866238463 YXBGLUSNLVCVMD-ARFHVFGLSA-N 462.656 4.955 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n4nc(-c5ccccc5Cl)cc4n3)CC2)cc1 1867944424 PLEONIUTALHVBM-UHFFFAOYSA-N 487.991 4.898 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCOCC4(C)C)nc(-c4ccccc4Cl)n3)CC2)cc1 1869232913 QVAYEALCQFSPID-UHFFFAOYSA-N 494.039 4.747 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCc2ccc(F)cc2)cc1OCCO 1870789930 UCUYVYKSKAQIDG-UHFFFAOYSA-N 473.548 4.957 10 10 JJCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873166301 KSUZVWCDIQFASK-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE COc1cccc(OCCCn2cc(C=C3C(=N)N4N=C(C)SC4=NC3=O)c3ccccc32)c1 2293142417 YCSWYGYYPAEXRE-UHFFFAOYSA-N 473.558 4.758 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)S2)CC1 2294498830 HJAKEXVDDZGMER-UHFFFAOYSA-N 480.586 4.520 10 10 JJCE O=C1C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1C[C@@H]1CCCO1 2296706071 SWEMPJNLHYGITJ-HNNXBMFYSA-N 471.003 4.637 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2296723153 JLLNKSUKZIGJOX-AWEZNQCLSA-N 469.563 4.934 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 2314831551 NHOZGJMMHCYKLG-UHFFFAOYSA-N 486.615 4.897 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](C)C(=O)O)C1=O 2323693378 KYINRRIAEJSZLR-MRVPVSSYSA-N 477.917 4.804 10 10 JJCE COc1ccc(-c2nnc(COC(=O)c3ccc4c(c3Cl)C(=O)c3ccccc3C4=O)o2)cc1 18264663 HKZWDWAKVZTKFA-UHFFFAOYSA-N 474.856 4.531 10 10 JJCE CCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc1OC 33410796 MAAJZRXKZHVBQW-DHDCSXOGSA-N 459.296 4.672 10 10 JJCE CC(C)N1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 39835659 OSNZTTGRWOGYHZ-LFIBNONCSA-N 457.964 4.750 10 10 JJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990063 KGQWITXVHSQYRE-VBNMEBLOSA-N 472.680 4.532 10 10 JJCE Cc1c(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C 65008726 DKAACEXTNFIOAA-UHFFFAOYSA-N 466.632 4.669 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)sc(C)c1-c1ccc(C)c(C)c1 1860655922 XAZZRAUDWLOXGA-MRXNPFEDSA-N 482.524 4.866 10 10 JJCE CCCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421726 NTMXVFCSGHANGM-UHFFFAOYSA-N 453.546 4.963 10 10 JJCE CCc1nn(Cc2cccc(Br)c2O)c(I)c1C(C)(C)C 2079636310 WBTXFWNMLCCTDB-UHFFFAOYSA-N 463.157 4.864 10 10 JJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C[C@@H](O)CNc2ccccc2)c2ccccc12 2296311819 IDNAHYRVBUHDDL-DEOSSOPVSA-N 450.542 4.920 10 10 JJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 2296930386 UZEHFKCNLKOEKM-UHFFFAOYSA-N 471.296 4.892 10 10 JJCE Cc1cccc(N2C(=O)C(=C3C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c1C 2313617631 SMOQDTZJLMMRDS-UHFFFAOYSA-N 463.628 4.869 10 10 JJCE Cc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c(C)c1 2313617645 WPJPJWMWPLGEME-UHFFFAOYSA-N 463.628 4.869 10 10 JJCE CC(C)(C)OC(=O)N(CCNCc1cc(OC(F)(F)F)ccc1O)OCc1ccccc1 2314337621 SDDDIOYQKLGFOC-UHFFFAOYSA-N 456.461 4.749 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)N(C)C)cc1 2318684244 VRLZRHOJBDGMIP-GOSISDBHSA-N 450.988 4.992 10 10 JJCE COc1ccc(NC[C@H](O)Cn2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1 13176479 GTDZTLWJHAUDHU-GJVLPJBHSA-N 480.568 4.929 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCC(C)C 20034627 XPLWZORFPQLGMS-YVLHZVERSA-N 462.424 4.777 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c(C)n1-c1cccnc1 20344768 UDKLCDPQEKSSHM-GRSHGNNSSA-N 481.375 4.923 10 10 JJCE Cc1sc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1-c1cc(C(F)(F)F)on1 33299399 VITHSJFKETYPGW-UHFFFAOYSA-N 459.515 4.583 10 10 JJCE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCC4)C3=O)c3ccccc32)c1 33582899 NWOLFPCHAMJWJG-GHVJWSGMSA-N 491.638 4.803 10 10 JJCE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 209422153 YIVTZGIIXQGVBE-SDNWHVSQSA-N 464.663 4.579 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OC 210168271 ZHJDVQJDFZIJSI-DEDYPNTBSA-N 457.573 4.907 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@@H]21 226842082 YNHQZLFRQWIPIO-YDIMBITNSA-N 453.564 4.986 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031885 QPWPGZLUXNPYOV-QFIPXVFZSA-N 490.604 4.622 10 10 JJCE CC[C@@](C)(NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714712 TUGNFJURRCQHRT-ABYGYWHVSA-N 497.655 4.906 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873167007 OAVYWTKSXYNADT-UHFFFAOYSA-N 481.600 4.539 10 10 JJCE CCCCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873552677 RNCLRNSZHKYVOZ-UHFFFAOYSA-N 490.652 4.583 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)Cc4ccc(C)c(C)c4)c3)CC2)cc1 1874722017 LFMMYSORCFZAGR-UHFFFAOYSA-N 485.628 4.888 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(CN=[N+]=[N-])CC2)cc1I 2180961574 QSHUCNBJZOUKMJ-UHFFFAOYSA-N 485.326 4.801 10 10 JJCE Cc1cc(Br)sc1[C@@H](CN)N(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2194940736 IXWWWLPVUJUFAA-MRXNPFEDSA-N 454.434 4.980 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 2314414495 ASWNOMBCFBZTHC-UHFFFAOYSA-N 456.637 4.831 10 10 JJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 2314827868 OFQKJVWWWAHDOT-UHFFFAOYSA-N 452.479 4.554 10 10 JJCE C[C@H](Oc1ccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)cc1)C(=O)O 2314926981 WXIMZWXEIDJUJO-INIZCTEOSA-N 479.620 4.945 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)N(C)C)cc1 2318684195 TWJUFIDSFTUFBC-GOSISDBHSA-N 477.449 4.962 10 10 JJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 15724135 XZRBYOCWWJMJRZ-GZTJUZNOSA-N 450.834 4.803 10 10 JJCE CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NCc4ccc(N(C)C)cc4)cnc23)cc1OCC 21537865 HVRQAXSZVYXAMC-UHFFFAOYSA-N 487.604 4.807 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33529811 JBJMPAQIILVTNY-XDHOZWIPSA-N 480.615 4.742 10 10 JJCE CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 40888485 WKXTXQKULIOGDZ-QNGOZBTKSA-N 471.600 4.819 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1 59087188 FQTRKYUYUVJKEZ-UQQQWYQISA-N 484.556 4.746 10 10 JJCE CC(C)[C@H](C(=O)NC1CCCC1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606672130 RPKGFDGTLLXTEC-ZFOVBUMHSA-N 467.454 4.734 10 10 JJCE CC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1860347560 XGWLPABSNGFSSW-NDEPHWFRSA-N 478.552 4.630 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2ccccc2F)n1 1860550575 INDXQXDJOOLRQU-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)cc(OC)cc3[nH]2)sc(C)c1-c1ccccc1 1866556423 FYZYBTMGFJFGIX-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cccc(Cl)c4)cc3)CC2)cc1 1874749013 YOPDDWPIJGQQEO-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE COc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 1952794785 QGXPCHIEYQSXDR-RDGATRHJSA-N 459.498 4.798 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2080026352 WJPQWTNTBTZZEB-ZDUSSCGKSA-N 470.351 4.894 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OC(=O)c1cccs1 2297578156 ODQKSXDFRYPYQM-UHFFFAOYSA-N 476.510 4.870 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc2ccccc2c1 2314835440 ILFOORBNFUHYNL-UHFFFAOYSA-N 464.568 4.745 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 2318756362 KAYQCCCLLNIKQM-UHFFFAOYSA-N 454.617 4.956 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14471394 PSSVCHLUKGFNNV-ORQYLMBXSA-N 453.926 4.984 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 20356314 RHGDVLAWXFRMEF-VTGHKQSHSA-N 489.601 4.645 10 10 JJCE COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 33292951 RBMNGDQWLMTSEZ-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1Cl 103919886 HQPYUIAOBWDHOD-YBFXNURJSA-N 463.277 4.553 10 10 JJCE Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c(C)n1-c1ccc2c(c1)OCCO2 108732924 JWMPBQYYYNCFTQ-UHFFFAOYSA-N 459.546 4.790 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccc(O)c(O)c2)c1 526155743 WTZQCYYJSYHCBP-QFIPXVFZSA-N 498.329 4.935 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1cc2ccccc2[nH]1 606618879 ATHVVCQTWFRNQC-MOSHPQCFSA-N 470.019 4.772 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Cc2ccncc2)cc1 1860715315 TWWZCKGOEOMIKO-UHFFFAOYSA-N 474.786 4.912 10 10 JJCE C[C@H]1COC[C@@H](C)N1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868563888 ITQKRRPMSWXTHV-HDICACEKSA-N 491.551 4.671 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873170106 OGPDWRAHLFUYST-PUZWTLIVSA-N 461.606 4.521 10 10 JJCE CSc1cccc2sc(N(C)CC(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)nc12 1891480230 YEYYQUYAJHKFNA-HKUYNNGSSA-N 452.649 4.760 10 10 JJCE Cn1ccc2c([C@@]3(C(=O)O)C[C@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cccc21 1952693790 XFVMOIVYMIIRDX-NAKRPHOHSA-N 452.510 4.812 10 10 JJCE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2079856738 VWZCLXDWIAJULL-CQSZACIVSA-N 465.266 4.801 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3)C2=O)cc1 2296397938 IGMALDGGAZAJGC-IBGZPJMESA-N 457.530 4.747 10 10 JJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 2296750176 KWWLQRAZUIFFMX-UHFFFAOYSA-N 465.509 4.755 10 10 JJCE COc1ccc2c(c1)c(C=C1SC(=S)N(c3ccc(OC)c([N+](=O)[O-])c3)C1=O)cn2C 2321630770 MZSVBLHLGOOSFU-UHFFFAOYSA-N 455.517 4.510 10 10 JJCE CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 33390276 ZWLJICFFQRRKDS-UDLNKVAWSA-N 467.454 4.832 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33470627 BAJWFLUPWCUOJC-LVZFUZTISA-N 478.643 4.741 10 10 JJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOCCOc1cccc(C)c1 102468264 HUBHNGOJLZOWHM-XSFVSMFZSA-N 494.034 4.962 10 10 JJCE COc1cc(/C=C2/SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)ccc1O 206363950 BFPQWWBOUXCZDP-LSCMLXDISA-N 471.538 4.928 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(C)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526451982 LPEJEQZLIWTKQV-XMMPIXPASA-N 477.513 4.879 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)c(O)c2)cc1OC 526556222 KJUCGULOTMCMET-QHCPKHFHSA-N 469.440 4.841 10 10 JJCE O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586692251 HSFWXKSITGKXRT-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccccc1C(F)(F)F 1860657591 NCNRJMXFZIMSHN-UHFFFAOYSA-N 451.670 4.945 10 10 JJCE O=C(NCCNCc1cc(Br)ccc1O)OCC1c2ccccc2-c2ccccc21 1954827199 SOMLRWKDKVZTHX-UHFFFAOYSA-N 467.363 4.783 10 10 JJCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)CC1 2053515724 HIJFHRJUMZJJQF-SFHVURJKSA-N 490.654 4.893 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080052934 QCPYQLHOYHSQIZ-KRWDZBQOSA-N 451.361 4.833 10 10 JJCE COc1ccc(Br)c(CNc2ccc(I)cc2F)c1O 2236054099 DXZDPORKQPTINA-UHFFFAOYSA-N 452.061 4.519 10 10 JJCE Cc1ccc(-c2nc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1 2297456251 AYSWWDMQSNLJSG-IBGZPJMESA-N 462.600 4.623 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 2314627648 NSOWJCZCSFIWMT-KRWDZBQOSA-N 493.075 4.811 10 10 JJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)o2)SC1=S 2314769477 QYUOBACXGVOYCE-OAHLLOKOSA-N 452.351 4.548 10 10 JJCE C[C@H](Oc1cccc(C=C2SC(=S)N(c3ccccc3Br)C2=O)c1)C(=O)O 2314932216 UKOMIFBPDNARKM-NSHDSACASA-N 464.362 4.707 10 10 JJCE O=C1C(=Cc2ccc(F)cc2F)SC(=S)N1c1ccc(I)cc1 2321616836 GQXMKVZIHJXFTE-UHFFFAOYSA-N 459.280 4.975 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2329500262 SYIIMVDBWOKYPE-PMERELPUSA-N 497.639 4.867 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccc(Cl)cc2)cc1 11730782 RMZCZEXXSGPNPU-UHFFFAOYSA-N 489.782 4.765 10 10 JJCE C[C@H](NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 12528921 LDTFWEGIMWNJAQ-PGGMPKIUSA-N 473.569 4.630 10 10 JJCE Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)c1 15043916 ZTNYJOYRGSEWMM-MOSHPQCFSA-N 456.589 4.807 10 10 JJCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 33652591 UNVHHUBOSOKFPZ-MXRTVKJZSA-N 453.527 4.636 10 10 JJCE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1Br 155784249 WPYNCQGHMOIXQS-UHFFFAOYSA-N 455.555 4.680 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 207317539 VNMGXTWIJIFKAP-QGOAFFKASA-N 496.639 4.907 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526342558 CKDKRLHPWXXWHS-DEOSSOPVSA-N 477.513 4.959 10 10 JJCE Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084059280 ZRUZDKCBRIXLRT-UNOMPAQXSA-N 478.892 4.664 10 10 JJCE C/C(=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cccc(C(F)(F)F)c1 1458014954 BBUZPUWAZDXHGF-XDJHFCHBSA-N 457.540 4.957 10 10 JJCE CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 1637383406 CTWGAYPLNPEAHU-UHFFFAOYSA-N 458.606 4.627 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC(C)C)cc4)n4ccccc34)CC2)cc1 1858351620 FKQOMHJTNNPBNV-UHFFFAOYSA-N 470.573 4.760 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nc5c(s4)CCC5)c4ccccc34)[C@@H]21 1860345274 ZCFTUCYMORPYFI-AREMUKBSSA-N 497.624 4.762 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2c(F)cccc2F)sc(C)c1-c1ccc(F)cc1 1860747036 QHQZOJALZWCXJQ-UHFFFAOYSA-N 462.449 4.895 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N2CCOc3ccccc32)sc(C)c1-c1ccc(OCC)cc1 1860748206 RFLITDJCFLSGHE-UHFFFAOYSA-N 494.569 4.663 10 10 JJCE CCCC[C@@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846406 SOKNLCPXXXZFOD-SXOMAYOGSA-N 479.665 4.767 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](CC(C)C)c3ccc(F)cc3)C(C)C)CC2)cc1 1868936327 TUJFWKCRSGKERR-FIPFOOKPSA-N 497.655 4.844 10 10 JJCE CC(C)NC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870944861 PYAZIFRIWNMIIV-UHFFFAOYSA-N 497.599 4.551 10 10 JJCE COCCCNC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1871343079 DCXKRSKDKJYBJZ-UHFFFAOYSA-N 477.435 4.501 10 10 JJCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873418541 NMKYEYQIUMFUTG-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873419934 RMGXIOGSDRMBHD-HSZRJFAPSA-N 485.584 4.864 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(CC(=O)OC(C)C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873422415 WMUJKNOHYHDYEH-UHFFFAOYSA-N 497.595 4.943 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(C)c3)n4CC(C)C)CC2)cc1 1873650035 IWXFDUOKZHULJQ-UHFFFAOYSA-N 498.631 4.983 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079125097 LVQRDGUHFNVNCU-KRWDZBQOSA-N 468.335 4.630 10 10 JJCE COc1cc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2296545494 WBAPYCLBGWDQQP-GOSISDBHSA-N 469.584 4.603 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCc1nc2ccccc2s1 2314913651 MUCDDOLECFLJPG-UHFFFAOYSA-N 474.032 4.857 10 10 JJCE O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461045 LJRSBYDULWTWGI-KLQLHJPASA-N 469.379 4.890 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)CC1 14471734 MCQFLKVBDSIDTP-HFMPRLQTSA-N 453.564 4.842 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc(F)cc3)CC2)cc1 15727921 IGXVMFRDWLHQBO-UHFFFAOYSA-N 473.504 4.795 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 33447296 WMZZXWBPKBHQGL-OCKHKDLRSA-N 463.490 4.634 10 10 JJCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1cccc(Cl)c1 39793940 VHYKPRCJFLQOHQ-CHHVJCJISA-N 483.796 4.609 10 10 JJCE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 40067013 NZETYGKHUGNIMX-NDENLUEZSA-N 484.622 4.801 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCc1nc(-c2ccccc2)cs1 40324673 AVQPSPOOAUEWTO-UNOMPAQXSA-N 483.615 4.857 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(N(C)c4ccccc4C(=O)O)=NC3=O)o2)c([N+](=O)[O-])c1 208345877 FMBYMJZSMQHPHK-NDENLUEZSA-N 463.471 4.968 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 210498164 HJYLUEGOTXXICX-SFQUDFHCSA-N 492.525 4.606 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 1084416318 RLAXMVYFQMLFKG-XDHOZWIPSA-N 465.849 4.737 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC)c(Cl)c4)n4ccccc34)CC2)cc1 1858348854 FLAHEAGRGVPCKG-UHFFFAOYSA-N 476.964 4.634 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c1CCCC2 1859478946 OTLQSERJTOWJMC-SFHVURJKSA-N 468.619 4.920 10 10 JJCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4cc(C)c(C)cc4OC)n3)ccc21 1859574606 XEYWVJZIAZHHDC-UHFFFAOYSA-N 471.604 4.535 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)cc1 1860343691 NOTDIRUAVVJECP-UHFFFAOYSA-N 454.917 4.866 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)sc(C)c1-c1ccc(F)cc1 1860629001 ZAGDEZXRSFCXOS-UHFFFAOYSA-N 495.576 4.925 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2ccc(O)c(O)c2)cc1 1865650100 VMHSAZWQHWEKTB-XDHOZWIPSA-N 465.303 4.703 10 10 JJCE Cc1cccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871174262 PEMOLSPVJUGYFE-UHFFFAOYSA-N 498.583 4.522 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079041724 XZXOLKWDHVCMIS-KRWDZBQOSA-N 453.368 4.647 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080004509 BFAFMGFGAMFLGJ-SFHVURJKSA-N 484.334 4.501 10 10 JJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 2294199276 LHTWKIYZVIKRLL-UHFFFAOYSA-N 483.952 4.727 10 10 JJCE COc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 2314837341 RCCMRDQBZQHNAM-LBPRGKRZSA-N 466.506 4.942 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)SC1=S 2331594908 QNVMDCIBNXSOJQ-UHFFFAOYSA-N 462.543 4.840 10 10 JJCE O=C1C(=Cc2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1c1ccc(Br)cc1 2332127394 SYQNZOASWKAEAZ-UHFFFAOYSA-N 453.214 4.569 10 10 JJCE CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13640935 CKVUOQPROUORLE-IMWIBFENSA-N 472.607 4.569 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20682936 HGTMRTMLQHKKCY-FHAGJXEFSA-N 484.618 4.714 10 10 JJCE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)c(OC)c3)C(=O)N=C2S1 27549628 AHIJKGUWSVEOMJ-JINVPOKMSA-N 478.574 4.799 10 10 JJCE COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 33329814 LNYZAVBNNCEFGB-SFQUDFHCSA-N 477.405 4.688 10 10 JJCE Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(C)n1-c1cccnc1 33414423 LMCRGJLRZODBDQ-GRSHGNNSSA-N 465.307 4.758 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 40888988 QJNGCHRYBCZSGK-STZFKDTASA-N 450.585 4.844 10 10 JJCE CCOC(=O)/C(=C(\C)NCc1ccccc1)c1c(O)cc(Br)c(O)c1Br 100205330 DQJTVJPRMLVSTP-RVDMUPIBSA-N 485.172 4.707 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 103040388 XEACFTVVJCQJMX-IYVNWDGISA-N 452.897 4.573 10 10 JJCE COc1ccc(N2CCCN(C(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)cc1 108428630 NLJVSTPKNWILPQ-UHFFFAOYSA-N 466.585 4.960 10 10 JJCE COCCN1C(=O)/C(=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)SC1=S 213160388 RITXUERNAVXNIP-ZHZULCJRSA-N 495.626 4.766 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(N(C)C)cc1 526405901 CUKDHNDKHPPDAG-DEOSSOPVSA-N 460.530 4.836 10 10 JJCE CN(C)CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 606671921 CQSASHUHUQDOBB-PDGQHHTCSA-N 480.533 4.830 10 10 JJCE CCCOC(=O)[C@@H](CC)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858849921 CKNISBNPOMIGFH-OAQYLSRUSA-N 487.512 4.612 10 10 JJCE CCOC(=O)c1c(NC(=O)c2cn3cc([N+](=O)[O-])ccc3n2)sc(C)c1-c1ccccc1 1860403676 OPJHMRLCCHJNEY-UHFFFAOYSA-N 450.476 4.708 10 10 JJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028256 UJEVIQLANJXAPG-DEOSSOPVSA-N 490.604 4.715 10 10 JJCE CC[C@@](C)(NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866825346 MSXAKJBUBYDENX-GDLZYMKVSA-N 493.519 4.654 10 10 JJCE CCCCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871199338 BQRNALNIGXJGEP-UHFFFAOYSA-N 479.577 4.573 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873163902 BXVLNTOOWHPHLL-UHFFFAOYSA-N 483.543 4.939 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168081 INRFGPINZSZEEP-HSZRJFAPSA-N 484.644 4.867 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(CO)c2I)cc1C 2079987524 XNLMTXZCLRNXRC-LJQANCHMSA-N 452.336 4.569 10 10 JJCE Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2293370060 LKIINTXMYBSXRM-UHFFFAOYSA-N 479.536 4.691 10 10 JJCE Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2293648616 YHFWHRNYVXIROR-UHFFFAOYSA-N 483.524 4.674 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2313565221 IFDDVBGKKAHKFJ-UHFFFAOYSA-N 470.710 4.560 10 10 JJCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)SC1=S 2326944740 IROLPRKOZIOBKW-UHFFFAOYSA-N 493.393 4.586 10 10 JJCE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1301693 LCDXXFQKXKZCRC-FMQUCBEESA-N 486.018 4.553 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3ccccc3)CC2)cc1 15727935 HRYBZYPQFTVRIT-UHFFFAOYSA-N 469.541 4.585 10 10 JJCE Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1 32964308 OWQYUNHTFZCCCQ-CXJFQJJYSA-N 455.543 4.792 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccc(Cl)cc3)c3ccco3)CC2)cc1 38620003 GLVMWMRAFJFILG-JOCHJYFZSA-N 454.958 4.627 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 59536585 WVZJSYXAIWCBLT-WQRHYEAKSA-N 480.879 4.733 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OCCCC)C2=O)cc1OC 206456739 ODALZGPSHFRWND-XMHGGMMESA-N 451.610 4.809 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 213175028 SNLKDLQXHLAEIB-PDGQHHTCSA-N 451.573 4.652 10 10 JJCE C[C@@H](NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O 389304158 KLMODLGROHMSJA-MRXNPFEDSA-N 459.587 4.614 10 10 JJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(F)c(F)c1F 687756163 XGBMBIRNYVPQNB-SFHVURJKSA-N 457.404 4.864 10 10 JJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596517 VMFFXTODRQJALS-CNPUOQLVSA-N 464.790 4.509 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C/c3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1861946006 HXQVPJHNGNSJTB-FFFSVGICSA-N 490.003 4.568 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867329891 SEVGJFMDXYNILJ-SVBPBHIXSA-N 478.681 4.693 10 10 JJCE CCCC[C@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868749432 PHNDBBCAIHNKDI-LEMPSFLLSA-N 484.040 4.776 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCC2)C1=O 1873169784 GUHHPHGZLDGERF-UHFFFAOYSA-N 463.622 4.913 10 10 JJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873418965 JJBVZKBTADPGJN-UHFFFAOYSA-N 495.535 4.866 10 10 JJCE C[C@H](N1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O)C12CC3CC(CC(C3)C1)C2 1874017739 UUVCUZCFKSIQJN-UVUKDXJGSA-N 496.607 4.854 10 10 JJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(N2CCOCC2)cc1 1951365470 MLRZUVOOLNRAOL-AREMUKBSSA-N 472.541 4.578 10 10 JJCE O=C(O)CC(F)(F)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952725660 CMMBTANHVQYELS-QHCPKHFHSA-N 483.467 4.658 10 10 JJCE CCN1CCc2cc([C@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163064667 XXHMCWSRXNKIBE-LSYYVWMOSA-N 466.622 4.946 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)c1 2180963187 XGTXHXVLQGFTKH-GFCCVEGCSA-N 485.326 4.801 10 10 JJCE O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296713483 DOUQKYLTTXTXEA-NSHDSACASA-N 474.412 4.642 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccccc1O 2296881419 GMDAJHVUBRBGIR-UHFFFAOYSA-N 477.405 4.775 10 10 JJCE COc1ccc(C=C2C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1Br 2297360211 QPCVTOZOSDXHJE-UHFFFAOYSA-N 487.404 4.968 10 10 JJCE CCOC(=O)COc1c(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)cccc1OC 2297366680 DAQOHONOHVXINT-UHFFFAOYSA-N 457.573 4.605 10 10 JJCE CCOc1c(Br)cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 2297561763 XTWBJEHCSWXDOT-UHFFFAOYSA-N 494.388 4.991 10 10 JJCE CC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297604867 SCECYHBFVBFMAP-UHFFFAOYSA-N 488.412 4.800 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)ccc1O 2314828727 WRHXFSFHTLMKTE-UHFFFAOYSA-N 482.505 4.650 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 2314933426 BGEKNJJRPAHAHP-UHFFFAOYSA-N 463.964 4.998 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3OCC)C2=O)ccc1O[C@H](C)C(=O)O 2314935907 STNJEAIYWQPYLF-CQSZACIVSA-N 473.572 4.742 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(CCOc3ccc(OC)cc3)C2=O)cc1OCC 2318684021 NDOTZXYAWXCUIL-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2332139619 AJJSVDLURFUDFH-UHFFFAOYSA-N 463.578 4.919 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(O)cc1 15039852 MBXYYMYGKBJZED-ATVHPVEESA-N 477.405 4.775 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)c1 39835606 IGRISUOZTHROSX-LDADJPATSA-N 451.573 4.652 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCc2ccc(F)cc2)SC1=S 40066848 ZQDBQMAMJBMAES-NDENLUEZSA-N 484.622 4.801 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1 96475907 AYMMVVILNKLIGU-SDQBBNPISA-N 480.112 4.732 10 10 JJCE Cc1cc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c(C)n1-c1cccc(Br)c1 109502038 JMHHJLAAAVZONE-UHFFFAOYSA-N 463.335 4.859 10 10 JJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)cc1 213181191 HFRWQAJZMGGDDI-HKWRFOASSA-N 495.626 4.595 10 10 JJCE CCOc1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@H]1c1ccc(O)c(O)c1 526186383 SYRUKXKLBAJDPY-XMMPIXPASA-N 463.486 4.571 10 10 JJCE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NCc1cc(Br)cc(F)c1O)C2 715738954 QXKLIBPARFVYBY-BEVDRBHNSA-N 463.347 4.573 10 10 JJCE CCc1nc(N2CCC(Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867954398 WBTLWDBLDGPYGS-UHFFFAOYSA-N 471.649 4.833 10 10 JJCE CC(=O)NCCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870896626 HTYCTJYFYUZWSI-UHFFFAOYSA-N 482.584 4.919 10 10 JJCE CC(=O)Nc1ccc(C(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1 1871287663 SSZGXUZJTMSYRP-WSDLNYQXSA-N 468.600 4.764 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Br)c2O)C(F)(F)CC1 1966028667 OXUFVMHILNJNBG-CQSZACIVSA-N 469.754 4.933 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CCNC(=O)OC(C)(C)C 2162995389 TUDXTCIDVNAKDZ-QZTJIDSGSA-N 474.646 4.549 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 2293175966 NSPZWGPIOFEQFR-UHFFFAOYSA-N 454.573 4.785 10 10 JJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 2296546201 UCEJGDSPTAOGBQ-UHFFFAOYSA-N 465.600 4.786 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1Cl 2297334871 DUQQZYILUDKWAP-UHFFFAOYSA-N 452.869 4.528 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3F)CC2)cc1 20289459 YTKBPGLHBHYEMG-MHECFPHRSA-N 453.583 4.578 10 10 JJCE COc1cccc(CN2CCc3nc(N4CCC(C)CC4)nc(Oc4cccc(F)c4)c3C2)c1O 34756052 MDPKVHJAHLVCRU-UHFFFAOYSA-N 478.568 4.917 10 10 JJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 39835630 FDTQURBAUGQSPR-QGOAFFKASA-N 451.573 4.659 10 10 JJCE CCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OCC 40937773 UBGLIDPTPHTTRW-PTNGSMBKSA-N 488.425 4.703 10 10 JJCE CC(=O)N(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc(N)cc1 217298409 NICZZFUSPBANQP-UHFFFAOYSA-N 462.388 4.860 10 10 JJCE O=C1c2ccccc2C(=O)c2c1cccc2N(Cc1ccccc1)S(=O)(=O)c1cccs1 586215154 WQQDLWQRPLWPHB-UHFFFAOYSA-N 459.548 4.919 10 10 JJCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1084492403 XUMLJBZSYGEFKB-ZHZULCJRSA-N 453.410 4.674 10 10 JJCE CCCCOCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858587743 YLIGCKKRNWOYLR-RVDMUPIBSA-N 460.415 4.571 10 10 JJCE CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O 1873170290 UJNKGEJXWAQPBC-UHFFFAOYSA-N 466.585 4.518 10 10 JJCE CN(C)c1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1F 1952790420 YOXRDOXUPYKNAL-CUNXSJBXSA-N 460.505 4.730 10 10 JJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2079006449 ZAJDAHXLEQLNGM-INIZCTEOSA-N 466.319 4.641 10 10 JJCE COc1ccc([C@H](n2nc(C(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079881390 VBYYAJPKNLQODA-AWEZNQCLSA-N 464.250 4.588 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(C(=O)O)c2I)cc1C 2079984775 HVCLKBSCIFGHLY-QGZVFWFLSA-N 454.308 4.631 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2080052935 QCPYQLHOYHSQIZ-QGZVFWFLSA-N 451.361 4.833 10 10 JJCE CN[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc2c(c1)CCCN2C 2106862542 VVLMBCKUWAYJKU-ZEQRLZLVSA-N 453.627 4.830 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNCc1ccc(Br)cc1O 2193995824 XEAGUEUODAIEBH-MRXNPFEDSA-N 453.402 4.840 10 10 JJCE O=C1C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1C[C@H]1CCCO1 2296537591 YYHGEHOCACUDHT-MRXNPFEDSA-N 471.003 4.637 10 10 JJCE CCOc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2296667833 VSCSDIPLMSCTIY-UHFFFAOYSA-N 461.362 4.576 10 10 JJCE CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297449640 RAUPKQDFCLDUHY-UHFFFAOYSA-N 489.664 4.506 10 10 JJCE COCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)SC1=S 2297498176 YXFLHHGKZOYERT-UHFFFAOYSA-N 479.410 4.758 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 2297511257 ZCPVEOPOWIYIKC-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=S 2314769851 WFCOZPMNKSJVOT-KRWDZBQOSA-N 478.389 4.660 10 10 JJCE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533419 OCXFZSYPXCBNSK-FMQUCBEESA-N 486.018 4.553 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 20235964 DCTQTEWLXOCGIE-NHIMQZIGSA-N 467.909 4.565 10 10 JJCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1C 33313307 ISOIURTWDJVKDJ-JAIQZWGSSA-N 457.486 4.946 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)ccc1OCc1cccc(C(=O)O)c1 33398434 YFGQZXSOGHSYEG-JAIQZWGSSA-N 490.443 4.618 10 10 JJCE COc1cc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc(OC)c1OC 169681513 LKIXHDYCUAZEHX-DCFHFQCYSA-N 476.529 4.977 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 247302789 FMSPLAWUEDYWOM-MHZLTWQESA-N 483.524 4.810 10 10 JJCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1084252470 MAJWUWDNPIBXQA-MHWRWJLKSA-N 471.252 4.618 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccccc1Cl 1860343441 AMCQWNZLMSYJFU-UHFFFAOYSA-N 468.944 4.544 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420741 VNAUJIMDZSGXGT-UHFFFAOYSA-N 479.527 4.989 10 10 JJCE CN(C)c1ccc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)cc1 1927497864 FZJZMNKKAANETL-SQHAQQRYSA-N 462.521 4.929 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)F)c(CO)c2I)C(C)(C)C)c(O)c1 2079060951 PRCBXPVCVFHQSD-CQSZACIVSA-N 450.267 4.567 10 10 JJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(SCc2ccco2)o1 2297500252 VJEKGCJWCXTUPZ-UHFFFAOYSA-N 473.304 4.594 10 10 JJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl 2313682630 HQPYUIAOBWDHOD-UHFFFAOYSA-N 463.277 4.553 10 10 JJCE O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 16450599 IKSQQZOUVQBOOV-WJDWOHSUSA-N 471.347 4.902 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 59566110 BZMUOPFETULKNO-MOHJPFBDSA-N 486.568 4.912 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(C)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526451980 LPEJEQZLIWTKQV-DEOSSOPVSA-N 477.513 4.879 10 10 JJCE CCCOC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 1084338442 ODLRPHVUYQEOGH-ZHZULCJRSA-N 495.329 4.737 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC2)cc1 1858341596 JABFWNDZRKPGGA-UHFFFAOYSA-N 480.490 4.991 10 10 JJCE CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1859466074 DMAWAXJMHAVGMM-LJQANCHMSA-N 466.537 4.578 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c4ccccc34)[C@@H]21 1860347209 BTXFXPXWZNFCFP-RIPBETPPSA-N 494.639 4.873 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2F)sc(C)c1-c1ccc(Cl)cc1 1860759081 SMWYGVOJUNSGAL-UHFFFAOYSA-N 474.941 4.948 10 10 JJCE CCCCCNC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1860763263 BJLZICFMKPIBDI-UHFFFAOYSA-N 481.412 4.772 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 1860850021 FOTLNTOCVXFENK-UHFFFAOYSA-N 477.008 4.616 10 10 JJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007244 INRUEJLQQVZKKT-JOCHJYFZSA-N 496.995 4.636 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671436 ATPMMSNLKGYSFV-HYARGMPZSA-N 460.917 4.950 10 10 JJCE CCc1sc(NC(=O)CNC(=O)OC(C)(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1866033824 HQQIOJGDUZCLEV-UHFFFAOYSA-N 497.411 4.990 10 10 JJCE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1869206653 LWUVDHDDFFCNTR-UHFFFAOYSA-N 488.680 4.647 10 10 JJCE COc1cccc(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c1O 2079691410 XRWJRKOGDVEBSJ-UHFFFAOYSA-N 452.214 4.537 10 10 JJCE N=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 2297469362 YNCQCCZTYGCUNE-UHFFFAOYSA-N 462.538 4.752 10 10 JJCE CN1CCN(N2C(=O)C(=Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)CC1 2314489834 TXKGSQYWYAMJRS-UHFFFAOYSA-N 487.956 4.982 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314930946 BHQOTGOCLIVOLW-SNVBAGLBSA-N 467.927 4.745 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1OC 2323678303 XLHIHHWEOHIZOM-GOSISDBHSA-N 487.599 4.910 10 10 JJCE CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323812482 RVCNNHISEDTMPB-QGZVFWFLSA-N 457.573 4.729 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1OC 20258978 AOVKPDCGPAXWOH-PDGQHHTCSA-N 451.516 4.749 10 10 JJCE CCN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccc(C)cc3)c(OC)c2)SC1=S 27531749 ZSQFKOZGLYCRDN-CJLVFECKSA-N 473.616 4.699 10 10 JJCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 35553022 FZNZMQNMHAEDCU-UHFFFAOYSA-N 467.573 4.984 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NC2CC(C)(C)NC(C)(C)C2)cc1 103521495 WAPUKUVWGXEWST-HKOYGPOVSA-N 476.621 4.628 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 206479476 CHNZMWSTHIHZCW-KGENOOAVSA-N 450.585 4.844 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)ccc1OCCC(=O)O 210464816 AWXGTAXJINDNJQ-ZHZULCJRSA-N 457.573 4.907 10 10 JJCE CCN(CC)c1ccc([C@@H]2C(c3cccc(C)c3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313991 BTHXRRMTZAPTQF-RUZDIDTESA-N 491.613 4.546 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526471030 UUOONQIUNKRUKJ-QHCPKHFHSA-N 495.915 4.994 10 10 JJCE C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 586671009 RZUZOXIWLJAMDZ-KRWDZBQOSA-N 467.525 4.978 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1 1084362593 YQKFWXLURZXTKN-STZFKDTASA-N 456.498 4.557 10 10 JJCE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1705525369 GCQKWETVLCIYIR-XMMPIXPASA-N 486.664 4.899 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678623 VLNWVUBPTSAGOW-OEAKJJBVSA-N 472.541 4.860 10 10 JJCE COc1ccc(/C=C(/C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1OC 1865914342 XQIXYYOXJQCDAO-KJANZVAVSA-N 496.611 4.950 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@H](C)COC[C@H]2C)n1 1868387219 VSEGHDGZNOGXAJ-IAGOWNOFSA-N 456.546 4.562 10 10 JJCE CC(C)CN1C(=O)/C(=C\c2ccc(OCc3nc(O)c4ccccc4n3)cc2)SC1=S 1871287009 FHSTVXNRSORWJX-YBFXNURJSA-N 451.573 4.772 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 1871336915 UMHBSFZKXJGQJU-UHFFFAOYSA-N 473.964 4.559 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC(C)C)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873167140 UHTUIFXPLLGCJX-UHFFFAOYSA-N 495.627 4.929 10 10 JJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873167782 XILGUHKDQXZVOF-UHFFFAOYSA-N 488.632 4.679 10 10 JJCE CCCCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168864 NBBYOJVHICFXIO-UHFFFAOYSA-N 487.600 4.781 10 10 JJCE CN(C)c1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1873894679 UYONZUPIWGUZAV-GDLZYMKVSA-N 493.611 4.883 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1952825790 PILMBJLXSJFBNK-BBRMVZONSA-N 499.155 4.702 10 10 JJCE Cc1ccc([C@@H](n2nc(C(C)(C)C)c(CO)c2I)C2(C)CC2)c(O)c1 2079034506 NNLUCNSTMGSGRK-QGZVFWFLSA-N 454.352 4.681 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNCc2cc(Cl)cc(Br)c2O)C1 2115593377 DMVAKAVLSVMLFI-MXXVBZNESA-N 451.764 4.541 10 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490.604 4.618 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1869117945 GENSOUNLMLRBIX-UHFFFAOYSA-N 480.616 4.925 10 10 JJCE CCn1cc(OCc2cccc3ccccc23)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870486194 JUABZYVDHTVHLG-UHFFFAOYSA-N 483.612 4.931 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4ccc(C)cc4)cc3)CC2)cc1 1874740401 CMBBGSIYJVDZPI-UHFFFAOYSA-N 472.585 4.547 10 10 JJCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OC(=O)c1ccco1 2297341097 UTIVEZIBHWBMIY-UHFFFAOYSA-N 484.559 4.616 10 10 JJCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc12 2297341369 LJBVRPYQHRRXEL-UHFFFAOYSA-N 482.467 4.930 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(OCC)c2)SC1=S 2314767213 DWJYSGBIEONDPA-NRFANRHFSA-N 471.600 4.990 10 10 JJCE CCN(CC)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2 13641985 GYLJOGKKEFABSV-WOVHNISZSA-N 479.621 4.611 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 33444748 SJTYUDHYZMEPJG-VXNZKSKFSA-N 470.664 4.712 10 10 JJCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3cccc(Cl)c3)c3ccco3)CC2)cc1 38620009 XWIPLOCAFFEAQT-JOCHJYFZSA-N 454.958 4.627 10 10 JJCE CCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)SC1=S 39835708 NIRMIIYPUGIHBB-LFIBNONCSA-N 457.964 4.670 10 10 JJCE O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CN1CCOCC1 95927171 JBCFVZKBYIEJTN-YVLHZVERSA-N 455.388 4.744 10 10 JJCE CCCN(CCC)C[C@H](O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 96498795 YMBMLYIRQXNBDM-XGPRFBRNSA-N 458.606 4.930 10 10 JJCE CC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586271511 MJXMDPYLOZKVII-UHFFFAOYSA-N 474.321 4.511 10 10 JJCE Cc1cc(CCNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c(C)n1-c1ccccc1 746426922 SDWPUVLPUMFSID-YPKPFQOOSA-N 455.602 4.705 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3cc(C(C)(C)C)ccc3c2=O)N2CCCCC2)cc1 1866437368 ZFXOOJCAXJQENU-SANMLTNESA-N 474.649 4.849 10 10 JJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)CC)C1=O 1873170182 QLZBZQXCJPMIPP-IBGZPJMESA-N 451.611 4.769 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873170843 SZCLRHLDCWEADR-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE COCCN1C(=O)C(=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C 2294034668 SNXHGCDEWDFDOL-UHFFFAOYSA-N 463.361 4.720 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C(=O)N2CCCCC2)cc1 2296910590 WGVQNKUHRMAXAZ-UHFFFAOYSA-N 467.367 4.794 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)c(OC)c1 2313543748 GRHKMRPBQXLUDO-UHFFFAOYSA-N 489.597 4.559 10 10 JJCE CCOc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4cccs4)SC3=S)sc2c1 2314563145 ITDXKHAPESQWHX-UHFFFAOYSA-N 475.642 4.987 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831576 NSZKIWGKIRATIE-UHFFFAOYSA-N 477.951 4.574 10 10 JJCE COc1ccc(Cl)cc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2321672299 GMQCLOIVLRVWCI-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE Cc1ccc(CN[C@H]2C[C@H](C(C)C)N(C(=O)OCc3ccccc3)C2)c(O)c1Br 2352686892 MOPDOEKDVXCPOD-VQTJNVASSA-N 461.400 4.988 10 10 JJCE CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2 14461033 PXNVTORGQHRGAU-GCKMJXCFSA-N 463.397 4.670 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2)N1CCOCC1 14476976 WUSBHBODZKWDSQ-PONJGIIJSA-N 465.402 4.841 10 10 JJCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989965 JLCGBDJJTMHKNE-QNGOZBTKSA-N 484.691 4.963 10 10 JJCE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(N(C)C)cc1 72413181 BXLNWLAESKHBQG-DEOSSOPVSA-N 491.975 4.984 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc(I)cc3)C2=O)cc1 83263443 HRYWVRPIYIZTBG-XNTDXEJSSA-N 453.326 4.706 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526274077 NIHNCXZLTDWRQA-QFIPXVFZSA-N 471.868 4.965 10 10 JJCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1128383420 AXZRSGJEMWHLCT-BVZFJXPGSA-N 454.014 4.729 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(C[C@H](C)O)C1=O 1858587029 PTYSPFSYVSZLEI-DHIBQTOVSA-N 463.934 4.712 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cccc21 1860590103 PRFCJZXEWVUIEX-UHFFFAOYSA-N 487.943 4.998 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)sc(C)c1-c1ccccc1 1860747840 YAYVHKJQHLQQLL-UHFFFAOYSA-N 450.516 4.680 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(C4CC4)nn3Cc3ccccc3F)cccc21 1871333233 LXLSOAQBOXYCEZ-UHFFFAOYSA-N 465.484 4.976 10 10 JJCE CCCOC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873981548 GTKXDDJDDBUNPG-UHFFFAOYSA-N 452.466 4.534 10 10 JJCE C[C@H]1CN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)C[C@H](C)O1 2040582406 QHQORVMTQKBEOZ-IRXDYDNUSA-N 462.550 4.758 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)C)c1I 2080048692 WERZTGLMOPWVAZ-INIZCTEOSA-N 486.350 4.531 10 10 JJCE COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Br)c1OC(C)=O 2296909400 LGTBNYSAWVUANP-UHFFFAOYSA-N 463.715 4.843 10 10 JJCE COc1cc(C)ccc1OCCOc1ccc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc1Cl 2297347561 IJHHKCZPEFJNDI-UHFFFAOYSA-N 467.909 4.565 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nc4ccc(F)cc4s3)C2=O)cc1 2314563156 KLZQOGMMZSMQPH-UHFFFAOYSA-N 473.576 4.674 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F 9259600 NKZILFSWQOZCHC-ZHZULCJRSA-N 466.509 4.598 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S 16926557 DZTWUTFUMRYXJX-LGMDPLHJSA-N 452.554 4.707 10 10 JJCE CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1 18951043 QUOWGHPUZURTJS-UHFFFAOYSA-N 496.995 4.653 10 10 JJCE CC(C)(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 33765795 TUXOCSMDLVECEQ-TZRRMPRUSA-N 497.522 4.818 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 39835771 NJIXTJAPPPCZBS-HMMYKYKNSA-N 495.626 4.731 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 526179502 VVEALJSXVHXKJU-QFIPXVFZSA-N 451.450 4.701 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526611951 ZWVCYPAGAOFJET-VWLOTQADSA-N 475.497 4.765 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)ccc2OC)sc(C)c1-c1ccc(F)cc1 1860747060 RMHCAQDPCKDACT-UHFFFAOYSA-N 486.521 4.634 10 10 JJCE Cc1cccc(-c2ccc3[nH]c(C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)cc(=O)c3c2)c1 1866563980 ZSMPMUFGXJDNPV-NDEPHWFRSA-N 491.595 4.822 10 10 JJCE C[C@@H](CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1867173039 AWEWRDNCXVNYIF-JKSUJKDBSA-N 474.944 4.752 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 1874754002 GXXZCWOWQHEQHF-UHFFFAOYSA-N 457.574 4.651 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079047326 KVKDFCOKJADZPC-ZDUSSCGKSA-N 464.250 4.773 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3CC3)c(CN)c2I)C2(C)CC2)cc1C 2079980598 GULFGHFMBDSXAU-SFHVURJKSA-N 451.352 4.536 10 10 JJCE CN1CCCc2cc([C@H](O)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268749693 CZCKYNHCVQVMEB-DEOSSOPVSA-N 452.595 4.556 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 40888711 CFPIEPQNKGZHKX-STZFKDTASA-N 471.600 4.737 10 10 JJCE Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1860347251 FGZNILKAPPELIL-HHHXNRCGSA-N 450.542 4.735 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3Cc3ccc(C)cc3)CC2)cc1 1870354990 SWTIZGFNKYYYJT-UHFFFAOYSA-N 489.660 4.961 10 10 JJCE COC(=O)COc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874361 ZBFJURQBCPNSSB-UHFFFAOYSA-N 499.567 4.813 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426149 POXIJDBSNFORAG-UHFFFAOYSA-N 487.510 4.530 10 10 JJCE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=O)c2I)C2(C)CC2)c(O)c1 2079853209 CWXSHBDRGLCRGX-QGZVFWFLSA-N 468.335 4.701 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)C)c(CO)c2I)cc1C 2079958423 UXLOMCFPADKEGE-IBGZPJMESA-N 454.352 4.815 10 10 JJCE COc1ccc([C@H](n2nc(C3(C)CC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080030116 IVLWQOPMYPVJAF-INIZCTEOSA-N 484.334 4.587 10 10 JJCE CC(C)(C)c1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2314828212 RKZYENIUWXHFDR-UHFFFAOYSA-N 468.600 4.912 10 10 JJCE Cc1cccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)c1 2314828718 WLBMAOMMMGPPNX-UHFFFAOYSA-N 461.406 4.988 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccc(O)cc4)S3)[C@@H](c3ccccc3O)C2)cc1 2314952142 URZFBKNFPXHJLE-JOCHJYFZSA-N 471.538 4.928 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(NC3CCCCC3)nc12 33529809 DZDBCBBWRTWMNO-CPNJWEJPSA-N 480.615 4.742 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 33765796 TUXOCSMDLVECEQ-SGNDLWITSA-N 497.522 4.818 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 39835673 XBZHNCGMDKMPQZ-GHRIWEEISA-N 455.536 4.627 10 10 JJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C[C@H]1CCCO1 39983170 IIMIBDHAXBJHIW-MIQLPHMESA-N 453.614 4.981 10 10 JJCE O=C1C(=CNc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 40869619 FGQZDXZWMRDGDV-UHFFFAOYSA-N 462.303 4.945 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 103704108 KLLQJCHBZMNDPK-CXJFQJJYSA-N 463.559 4.937 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCCCC3)nc12 208277380 BBMDMIGVFBXFLO-YFQSIASUSA-N 453.633 4.914 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 213176116 LEJNWVDODKLVBI-RGEXLXHISA-N 463.584 4.939 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)c1 526158967 UALJBFSTJHZYJP-SANMLTNESA-N 472.541 4.980 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526364725 IPSNDAPLDQCDND-VWLOTQADSA-N 476.529 4.628 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)cc1 1858591457 NNQVSNLLFHEMAP-DEDYPNTBSA-N 475.035 4.989 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)sc(C)c1-c1ccc(F)cc1 1860629639 YVSVVICVEQBLSS-UHFFFAOYSA-N 495.576 4.925 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)cc(Br)c1O 1865666056 AOVFHDAFUFDRLQ-MLPAPPSSSA-N 473.220 4.647 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c1CCC2 1865925978 WJTOMCGLUSXIQA-KRWDZBQOSA-N 454.592 4.530 10 10 JJCE CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867869164 VZYFOBVUNXMFJV-SXOMAYOGSA-N 492.708 4.902 10 10 JJCE CCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870481513 KYJFRGDCLCZZMN-UHFFFAOYSA-N 467.654 4.938 10 10 JJCE CCCCOCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164217 RDZCMBPELAJZIV-UHFFFAOYSA-N 475.589 4.764 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(Cc3cccnc3)C2=O)cc1 1873166477 ALGNAGNKDKFXLN-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CCc4ccccc4)cc3)CC2)cc1 1874753423 GPPRNBDCJYOGBR-UHFFFAOYSA-N 471.601 4.662 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 2296727098 PTVLNSCWAPLOCX-UHFFFAOYSA-N 482.627 4.665 10 10 JJCE Cc1cc(C)c(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(C)c1 2297349555 GYSLHYFVCAAVHX-UHFFFAOYSA-N 468.600 4.961 10 10 JJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F 2297454013 LACCXZXZCISONE-UHFFFAOYSA-N 496.947 4.898 10 10 JJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c(OC)c1 2297470444 ZHIYYRUDLLKBBV-UHFFFAOYSA-N 465.579 4.777 10 10 JJCE CCCCCCOc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)OCC)C2=O)cc1OC 2314740810 NXMWBBAWOWSNIY-HNNXBMFYSA-N 451.610 4.807 10 10 JJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=S 2314769649 TWFJPZCWVMDQGM-KRWDZBQOSA-N 478.389 4.573 10 10 JJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 1792545 HIAOTRJVQZHDIR-BRNLPKLHSA-N 452.557 4.561 10 10 JJCE COc1ccccc1/C=C1\N=C(c2ccc(OC)c(OC)c2)N(c2ccc(OC)c(OC)c2)C1=O 27521927 GDJAKDJQFPLYQF-ZHZULCJRSA-N 474.513 4.564 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 33784477 PRHMTNVMIUOSRT-JCMHNJIXSA-N 492.959 4.966 10 10 JJCE CCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33803734 UWBWTPQNFMVJLD-QGOAFFKASA-N 485.034 4.961 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2cc(OC)ccc2OC)cc1 205960846 SWSDHTIMGLAJFP-KOEQRZSOSA-N 473.529 4.858 10 10 JJCE Cc1cccc2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCOCC3)nc12 208279259 WOOHLTIUYBUFSY-RCCKNPSSSA-N 461.612 4.781 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 210742673 RWCNQSXQPMMVQX-HMMYKYKNSA-N 456.589 4.801 10 10 JJCE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1630362926 BYVXUUVCLYBGPW-VWLOTQADSA-N 458.558 4.962 10 10 JJCE O=C1c2ccccc2C(=O)c2c(N=c3ccc(-c4ccc(Br)cc4)n[nH]3)cccc21 1859832651 DVIXQRVPTGJXNB-UHFFFAOYSA-N 456.299 4.847 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)CC)CC2)sc(C)c1-c1ccc(OCC)cc1 1860625954 BSXKEAUZXNRUAD-UHFFFAOYSA-N 472.607 4.886 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cccc21 1861858409 QWZAEYYOEJJPQF-GOSISDBHSA-N 458.945 4.966 10 10 JJCE CCOC(=O)c1c(NC(=O)CCc2cnc(N(C)C)nc2)sc(C)c1-c1ccc(Cl)cc1 1866154414 XLDUQBOFGFCXHX-UHFFFAOYSA-N 472.998 4.981 10 10 JJCE C[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867119468 JHMPLECQMRGQTF-MRXNPFEDSA-N 474.944 4.582 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873164211 QZMKSECAZSTKJQ-UQBPGWFLSA-N 468.601 4.938 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873168055 HUDUHUODZDRCPK-CJFMBICVSA-N 485.632 4.629 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCOC(C)C)C2=O)cc1 1873169702 FSUFZSPWWIIRHV-NTKDMRAZSA-N 463.622 4.767 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc(F)c4)c4ccccc34)[C@@H]21 1873859787 CXDVZENTCQRPOF-HHHXNRCGSA-N 468.532 4.956 10 10 JJCE COc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1 2041044406 SLHRKNNHAFUFOX-IBGZPJMESA-N 465.552 4.852 10 10 JJCE COc1ccc(Br)c(CNc2cc(Br)cnc2Br)c1O 2237245790 AGNIYJUXHYUYRN-UHFFFAOYSA-N 466.955 4.695 10 10 JJCE COc1ccc(OC)c(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 2296926975 HCMBWEPPQOBCTC-UHFFFAOYSA-N 497.576 4.538 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)cc(Cl)c3O)C2=O)cc1C 2297560131 PYNGUWWDSBVAEU-UHFFFAOYSA-N 451.331 4.991 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 2314487924 LHWFUVWWQJWDAT-ROUUACIJSA-N 474.586 4.627 10 10 JJCE C[C@@H](NC(=O)CCCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314831662 PMAWPSWLZKPHJG-OAHLLOKOSA-N 478.595 4.564 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459051 PEQOAMGXRPCSDI-RLSLOFABSA-N 454.592 4.648 10 10 JJCE CC(C)[C@@H]1C[C@H]([C@H](C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O 255963753 AZMFFFCHYNXWLN-HGJUEJDCSA-N 456.543 4.505 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526143202 VAPUYCPUXBELFE-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1O 1170794319 KYLKDYXILXSTFR-SFHVURJKSA-N 450.284 4.870 10 10 JJCE COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)sc(C)c1-c1ccccc1 1866033053 PNTPDRQOODGOOF-UHFFFAOYSA-N 455.448 4.887 10 10 JJCE COc1ccc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1C 1868143113 RFZHSDJFCFEAIL-HSZRJFAPSA-N 498.579 4.664 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccccc3)C3CC3)c3ccccc3)CC2)cc1 1868685438 CFZYULWQGAGSFE-DGPALRBDSA-N 497.639 4.785 10 10 JJCE CC(C)CCOC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871031285 CMIVTICTLUTWGV-OAQYLSRUSA-N 493.604 4.553 10 10 JJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC)CC2)C1=O 1873168098 JAVPDNBWDLAFGZ-FBHNJWQJSA-N 491.632 4.542 10 10 JJCE Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(Cl)cc12 1874017537 RICQAXNHGGLZFL-AWEZNQCLSA-N 487.895 4.936 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(C)c(C)c4)cc3)CC2)cc1 1874748155 QXCGDJKDMISLFF-UHFFFAOYSA-N 485.628 4.888 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C1(CN)CC(OCc2ccccc2)C1 1881303167 CGOWFDIDONTFFF-UHFFFAOYSA-N 451.611 4.541 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)[C@H](C(=O)O)C1CC1)OCC1c2ccccc2-c2ccccc21 1951942562 CAZQORHMWKKPFG-JYFHCDHNSA-N 473.525 4.658 10 10 JJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2314414366 XFHGFTQJUKLETQ-UHFFFAOYSA-N 456.637 4.831 10 10 JJCE O=C(CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccccc1C(F)(F)F 2314827944 PPZRGWZPMPPPSG-UHFFFAOYSA-N 481.477 4.844 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(O)cc1 2314831321 IKJIUKCQWSLSOK-UHFFFAOYSA-N 471.560 4.701 10 10 JJCE Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836369 DQQOJDFZWBPITB-CYBMUJFWSA-N 461.406 4.986 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=O)N=C2S1 32964189 WHFJGLIDVKLELA-DODDZMEZSA-N 456.915 4.848 10 10 JJCE COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 33334151 WTTUYEISBUDZAN-VCHYOVAHSA-N 487.350 4.838 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc2c(c1)OCO2 59135197 RUGIKUJITXWXRU-GRSHGNNSSA-N 490.443 4.649 10 10 JJCE O=C(CNc1ccccc1C(=O)c1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 257632021 IBOCQBSCDROBPS-UHFFFAOYSA-N 476.598 4.777 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526392418 JRPGAJVWWREQQI-VWLOTQADSA-N 490.512 4.521 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c(OC)cc1Cl 1872957060 VJEAKZCUFOBWSM-UHFFFAOYSA-N 452.894 4.607 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3cccs3)C2=O)cc1 1873166041 ZQCPYMWVCQXZIF-UHFFFAOYSA-N 477.630 4.840 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873169833 YFEFRORHARUFHU-UHFFFAOYSA-N 476.665 4.828 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CCCCCC4)c4ccccc34)[C@H]21 1873870203 OGRKWFDYFQXIEF-MHZLTWQESA-N 456.590 4.627 10 10 JJCE COCCn1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cc(Cl)ccc21 1874179413 CJIKAXQFRUNQCL-UHFFFAOYSA-N 458.901 4.969 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CSc4ccccc4)c3)CC2)cc1 1874728661 KNUFMIUOFLGGGK-UHFFFAOYSA-N 489.641 4.821 10 10 JJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)c(O)c1O 1951650123 LNICSOIKODQECX-OAQYLSRUSA-N 463.486 4.638 10 10 JJCE CCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2078951648 XLBSQWPHRSATCK-UHFFFAOYSA-N 464.147 4.842 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1 2294253450 VQDJDQFPGVNFMV-UHFFFAOYSA-N 485.540 4.669 10 10 JJCE CCOc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 2297559907 UEVVPZWLUCMNNQ-UHFFFAOYSA-N 481.799 4.768 10 10 JJCE CC(=C1SC(N2CCN(c3ccccc3F)CC2)=NC1=O)c1ccc(Br)cc1 2314557447 HCDWHIKVTNBDJP-UHFFFAOYSA-N 460.372 4.771 10 10 JJCE O=C1C(=Cc2cc(Cl)cc(Br)c2O)SC(=S)N1Cc1ccc2c(c1)OCO2 2323758612 QAGZBXPWUKYLHX-UHFFFAOYSA-N 484.780 4.938 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147611 NMSGMPXQTUUUCC-UHFFFAOYSA-N 478.932 4.902 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc(OC)c1OC 1433976 VCZMHHSUKXWJCI-ZDLGFXPLSA-N 464.996 4.945 10 10 JJCE O=C(CNC(=O)c1ccc(Br)o1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10913175 BTTGGNCOCOZTKR-HSZRJFAPSA-N 479.330 4.537 10 10 JJCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)cc2OC)cc1OC 16247133 HDFJXQORQKMPQK-STZFKDTASA-N 472.497 4.738 10 10 JJCE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 33587477 NALNZWPGIYVSLF-MXRTVKJZSA-N 453.527 4.636 10 10 JJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)cc1Cl 49589780 ACCYVQBQIYKXPQ-UXMLFEQVSA-N 469.950 4.973 10 10 JJCE COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C 101124994 QDBKYAPRZKTIRY-UKTHLTGXSA-N 465.691 4.738 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 210744338 WODIWUMXVSFNGK-LTGZKZEYSA-N 498.626 4.969 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@H]3c3ccc(N(C)C)cc3)cc2)CC1 526389471 YALRERZDSKNSTO-HHHXNRCGSA-N 486.591 4.701 10 10 JJCE C/C(=C/c1ccc(Br)o1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1125187662 HCVWLJXOIRSRTQ-OJRGUNPPSA-N 451.336 4.515 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O 1858587629 QMOQSESKXUOWBM-CXUHLZMHSA-N 450.379 4.873 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cccc21 1860590049 LSZRPDARLHYNKA-UHFFFAOYSA-N 472.928 4.606 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)c(C)c4)n(CC(C)C)n3)CC2)cc1 1862348161 YYIYDPJNIXNGGU-UHFFFAOYSA-N 450.558 4.625 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)sc2c1CC[C@@H](C)C2 1865923051 INGJECASLRMWAK-KGLIPLIRSA-N 491.009 4.703 10 10 JJCE CCOC(=O)CCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866120238 CFVXYYRMFJHGSC-UHFFFAOYSA-N 454.342 4.554 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2c3c(nc4ccc(F)cc24)CCCC3)c2nccn2C)cc1 1866280235 JNJVUYKSGVEOIX-RUZDIDTESA-N 457.553 4.572 10 10 JJCE CCc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2CC)cc1 1873650617 WZMYBOSYCOTXBV-UHFFFAOYSA-N 484.604 4.601 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2106858125 SKOODJIVBLCYSQ-UKDVSSAZSA-N 453.627 4.828 10 10 JJCE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNCc1cc(Cl)cc(Br)c1O 2234594011 HKGVYIOBMWPSGA-ZDUSSCGKSA-N 469.754 4.933 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1[N+](=O)[O-] 2296710694 RFKAFIQYNUIXAF-UHFFFAOYSA-N 466.544 4.677 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccccc3OCCOc3cccc(OC)c3)C(=O)N=C2S1 2297307170 QKRAHAIVJDMNGZ-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE COc1ccc(Br)cc1C=C1SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 2313507521 RMHTULVPZUGZMV-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(C)C 2314769287 XFDXNGYBLFZBTK-UHFFFAOYSA-N 456.589 4.727 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314831953 WIAVCFGZGOQPAN-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 2314934398 HJYLUEGOTXXICX-UHFFFAOYSA-N 492.525 4.606 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1OC 2323679898 LDIKYWXORLTCDK-GOSISDBHSA-N 487.599 4.910 10 10 JJCE N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N=C2SC(Cc3ccccc3)=NN12 32964443 SLPRATSBDRMZPB-SZRLJQQQSA-N 490.932 4.901 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694560 UARINPLPCHPCPU-UHFFFAOYSA-N 498.396 4.636 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 210719414 WHMCUVWOIPLMJU-XMHGGMMESA-N 472.563 4.623 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 213187182 KWLYRNLEKZKVNE-IIMQCXAKSA-N 469.563 4.934 10 10 JJCE CC1CCN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)CC1 257654269 UISQOTMVFKQIQD-UHFFFAOYSA-N 476.598 4.633 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526216931 PMTUNAWAHYOTOO-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 1625379274 CTJJNAXCFAYWCO-UHFFFAOYSA-N 458.606 4.627 10 10 JJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1OC 1858587979 LDIKYWXORLTCDK-AGKWGAAGSA-N 487.599 4.910 10 10 JJCE Cc1nc2ccc(NC(=O)CCn3c4c(c5ccccc53)CCn3c-4nc4ccccc4c3=O)cc2[nH]1 1860344994 LYSDMFYJKGVLPH-UHFFFAOYSA-N 488.551 4.788 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(C3CCCCC3)C2=O)cc1 1873165257 FCBUPLCJESIDOO-UHFFFAOYSA-N 463.622 4.911 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1873165833 WWEHODWCABMXMJ-JOCHJYFZSA-N 471.601 4.950 10 10 JJCE Cc1ccc(CN2C(=O)C(NCCCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167652 QUPKEQIYHGKQDC-UHFFFAOYSA-N 484.644 4.614 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)CSc4ccccc4)cc3)CC2)cc1 1874756700 LZXLCGURHGPSBL-UHFFFAOYSA-N 489.641 4.821 10 10 JJCE COc1ccc(Br)c(CNc2ccc(F)cc2I)c1O 2236035621 GIDVIZHSMYAENH-UHFFFAOYSA-N 452.061 4.519 10 10 JJCE O=C(O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2296882394 SGFZMSYVLVUOLX-LJQANCHMSA-N 466.496 4.882 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)cc1C 2297347581 KFKYTKGEZBABIB-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4F)c(Cl)c3)C2=O)cc1 2297364232 AUHFQPUFLKCNPI-UHFFFAOYSA-N 478.863 4.673 10 10 JJCE CCCCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 2313548602 ZLRYYHHVVQZTIO-UHFFFAOYSA-N 457.324 4.603 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936101 VATUDCFAFUNWDV-SFHVURJKSA-N 485.583 4.936 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 15040036 NNPZKTIXWYSBGH-HKWRFOASSA-N 456.589 4.714 10 10 JJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2S1 33424346 PDMULJOTACTIOJ-CYPXAJCBSA-N 457.471 4.831 10 10 JJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 83316960 BIYJXGWKBLXQKI-FMQUCBEESA-N 465.600 4.530 10 10 JJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2ccc(OC)cc2OC)cc1 205963358 SOBMIIOTOGBDFG-KOEQRZSOSA-N 473.529 4.858 10 10 JJCE COC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 205967368 DZCPNXIFSWZURO-XQNSMLJCSA-N 459.477 4.758 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526331318 MBYVNZSBPZTMDU-DEOSSOPVSA-N 460.486 4.512 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@H]2c2ccc(O)c(O)c2)c1 526467262 HXCQQUIETNPTCV-RUZDIDTESA-N 489.524 4.976 10 10 JJCE COc1ccc(C(=O)OC[C@@H]2O[C@@H](Sc3ccc(Cl)cc3)[C@@H](N=[N+]=[N-])[C@H](OC)[C@@H]2OC)cc1 575449061 NFRJPKMYWLHCHI-OTVISBKVSA-N 493.969 4.732 10 10 JJCE Cc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860504212 SLCVECYCEFOLNI-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE O=C(CNC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868148078 CFYFSHKDXOTHFQ-UHFFFAOYSA-N 499.526 4.979 10 10 JJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424409 FGFURUARBIJAKZ-UHFFFAOYSA-N 498.627 4.831 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873427747 YZLYCHCFZZPPTP-UHFFFAOYSA-N 468.601 4.689 10 10 JJCE O=C(CCCC(=O)N1CCc2[nH]c3ccccc3c2C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016145 BCBKXCANLJWYOT-UHFFFAOYSA-N 491.547 4.637 10 10 JJCE CCOC(=O)c1c(CC)nn([C@@H](c2cc(C)c(C)cc2O)C(C)C)c1I 2079954607 OKSYXVNYGUTLDV-GOSISDBHSA-N 470.351 4.795 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)c1 2180963188 XGTXHXVLQGFTKH-LBPRGKRZSA-N 485.326 4.801 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCCCOc1cccc(OC)c1 2297499310 QOCULIDBDNKUIZ-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)ccc1Br 2313557488 DUADSMJXPXMCHJ-UHFFFAOYSA-N 496.336 4.971 10 10 JJCE CC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682895 NIQIYXAWCYLHPX-UHFFFAOYSA-N 461.566 4.519 10 10 JJCE COC(=O)CCCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314753950 HBFYCVVNIYAZFB-UHFFFAOYSA-N 480.611 4.538 10 10 JJCE C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=Cc2ccccc2O)SC1=S 2314837300 QRPCENGFJDULML-NSHDSACASA-N 452.479 4.639 10 10 JJCE CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 2249410 MLWVCLZAHOXDIB-XPWALMASSA-N 452.510 4.817 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13640925 AVNVTXZNIUSYAN-UZINWLIJSA-N 498.645 4.960 10 10 JJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 15047084 HZUWUAROJDHAGI-CYUIRQCWSA-N 474.991 4.745 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cc(OC)ccc2OC)c1 20071370 LOHKUOAOLOHYEE-HFZDXXHNSA-N 462.502 4.669 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccc(C)cc5)ccc4n3)CC2)cc1 33260597 ODIHLFJUNBCNBP-UHFFFAOYSA-N 496.567 4.829 10 10 JJCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c(C)c1 34379625 HYJHLMKITAAXMO-FJVWWGQZSA-N 497.580 4.824 10 10 JJCE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)c(C)c1 38204015 WPJPJWMWPLGEME-DQRAZIAOSA-N 463.628 4.869 10 10 JJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990044 ZJWKHNNIWWAACS-FPXKJXHESA-N 472.680 4.674 10 10 JJCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cccc(Cl)c4C)ncn3)CC2)cc1 65133726 QFOFDBWOLAFHJK-UHFFFAOYSA-N 484.025 4.504 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)ccc1O 210743430 HEIGJNJDCWGHMQ-XSFVSMFZSA-N 472.588 4.507 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526415082 ANLVUDMXRFTEGE-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCCCCNC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917633343 AYMFQJKFXSFPLN-XMMPIXPASA-N 475.593 4.752 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3ccc(N4CCCC4)cc3)C2=O)cc(OC)c1OC 1860086174 OIQPPIWPWRVZBG-XSFVSMFZSA-N 456.589 4.718 10 10 JJCE CCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870613301 SGNLARKMYUSZLN-UHFFFAOYSA-N 479.596 4.697 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873166740 XPDUAFWHYGOILG-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1 1874745620 ZWAVISZGZQFOOY-UHFFFAOYSA-N 480.511 4.588 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1Br 2079864991 ZKKZPSPPBCIHPL-OAHLLOKOSA-N 477.277 4.945 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2196849415 PQEJFAKPSUBYSP-FNZWTVRRSA-N 476.662 4.510 10 10 JJCE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2Cl)S1 2293344053 XOROQPDFHNVWDG-UHFFFAOYSA-N 465.756 4.788 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2294133754 HGARYGCUFCAUHR-UHFFFAOYSA-N 472.240 4.828 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccccc3Br)C2=O)cc(OC)c1OC 2296763951 MSYJHWRJKWRRDE-UHFFFAOYSA-N 466.378 4.881 10 10 JJCE COc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc12 2297346725 FLAAFTIBMFXXDG-UHFFFAOYSA-N 483.387 4.877 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 2297360635 VRZMDKJBKDVMHZ-UHFFFAOYSA-N 467.953 4.714 10 10 JJCE CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](CC)C(=O)O)c(OC)c3)SC2=S)cc1 2314932352 MNZBYNFCHAQWSO-QGZVFWFLSA-N 457.573 4.905 10 10 JJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccccc4O)S3)[C@@H](c3ccccc3O)C2)cc1 2314951924 NRJDACDHMUNDBF-OAQYLSRUSA-N 471.538 4.928 10 10 JJCE CCOc1ncc(C=CC(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cn1 2321453631 GTSBFZAXCMIBIA-UHFFFAOYSA-N 451.548 4.968 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 16919572 BGEKNJJRPAHAHP-LDADJPATSA-N 463.964 4.998 10 10 JJCE C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 33519430 MBLHGWBVZLCRJH-YZYPPFLQSA-N 462.600 4.563 10 10 JJCE Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 65102587 WQAYIXOEGMTZBM-UHFFFAOYSA-N 461.635 4.535 10 10 JJCE CC(=O)N(C)c1ccc(N=N[C@@H]2C(=O)N(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)N=C2C)cc1 1084270841 MDTKSZMWDBJNPL-FQEVSTJZSA-N 477.506 4.576 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)CC1 1556219094 OCEKEZYRJREBTG-UHFFFAOYSA-N 451.611 4.908 10 10 JJCE CC[C@H](C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858857380 CTXFLAOIQBTBAF-HOTGVXAUSA-N 487.512 4.610 10 10 JJCE C[C@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344009 RVRVXHVKESQFHV-HXUWFJFHSA-N 476.580 4.712 10 10 JJCE CCCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCC 1873549227 DKQWJUMQIYVEIR-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(CCC)CCC)ncnc21 1873552984 CKGXACBINXRJHM-UHFFFAOYSA-N 492.668 4.829 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cccc(O)c2O)C1 1952447433 FYLNYBIGFBHQHN-HJPURHCSSA-N 459.498 4.885 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2079060636 KCHJQILOPDIQOL-OAHLLOKOSA-N 476.261 4.615 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)F)c(CO)c2I)C2(C)CC2)cc1C 2079847347 RFXXTBUZQSUBLX-HNNXBMFYSA-N 462.278 4.630 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313545871 LSVKSCZLQKUJRL-UHFFFAOYSA-N 499.148 4.616 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2367057234 RDJFEGHXBIKDAC-YPAWHYETSA-N 476.662 4.558 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643843 UJDDTMOQAJLNAM-ZEVJAHDQSA-N 451.636 5.000 10 10 JJCE COc1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)c(OC)c1 101615780 VDPIFHZIENTMGI-GZTJUZNOSA-N 462.453 4.965 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)oc4C)nc4c3cnn4C(C)C)CC2)cc1 105443100 IXWFAGXZOCLRQM-UHFFFAOYSA-N 473.577 4.860 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526191765 XQBMWIRQIHHSMF-HSZRJFAPSA-N 483.904 4.834 10 10 JJCE COc1ccccc1N1C(=O)C(O)=C(c2cc(Cl)c(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526406569 CWZVFFRYLVXGQH-QFIPXVFZSA-N 483.904 4.834 10 10 JJCE CCCCN(C)C(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 917637774 GJZZIVSKVDUXNP-DEOSSOPVSA-N 475.593 4.704 10 10 JJCE CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cccc(N4CCC(C(N)=O)CC4)c3)cc2)cc1 1522766343 VASGWFGOUHZRIK-UHFFFAOYSA-N 457.530 4.636 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865675025 KZMJGABQLOWAMN-HYARGMPZSA-N 483.996 4.788 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873164209 QZMKSECAZSTKJQ-DFBJGRDBSA-N 468.601 4.938 10 10 JJCE CC(C)[C@H](C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951900578 FTDNPRCMSROPRN-OZXSUGGESA-N 475.541 4.904 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1c1cc(Br)cc(Br)c1O 1952456657 NRJLSUWMEGDOKJ-ZANVPECISA-N 479.165 4.690 10 10 JJCE COc1cc(C=C2SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)ccc1O 2040465242 DYMWDFDNPDHJPE-UHFFFAOYSA-N 461.874 4.696 10 10 JJCE CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2csc(C)n2)sc(C)c1-c1ccccc1 2040496417 PUGBYJGUHPUCGX-UHFFFAOYSA-N 470.572 4.860 10 10 JJCE CN1CCc2cc([C@@H](O)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2106799985 CIWJZSVEYIHRKP-SQHAQQRYSA-N 452.595 4.556 10 10 JJCE CC(C)Cc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)s1 2296881826 BRPYFCPFCQZPKM-UHFFFAOYSA-N 467.041 4.620 10 10 JJCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@@H]32)c1 14471713 JGVGFGAKTDTCSJ-HFMPRLQTSA-N 453.564 4.986 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 14475933 CVXFZRFPQCTTLR-WZOHSFFVSA-N 477.542 4.605 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 20752226 BOOGIWHRPRVMLW-CYEBLAACSA-N 476.598 4.829 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33467413 DLZGMVQEHAFAEP-XMHGGMMESA-N 470.664 4.995 10 10 JJCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC1=S 35518783 MLSOIHBGAKIFQI-PGMHBOJBSA-N 492.626 4.603 10 10 JJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1OCc1ccccc1C 40867754 NWRMZVPPEMJFTG-XKZIYDEJSA-N 491.594 4.524 10 10 JJCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)N(C2CC2)C1=O)Nc1ccccc1 96577178 LSGDWXBJYCGWJY-WQRHYEAKSA-N 489.416 4.830 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(C)coc1C 1705622842 WYNJCNGJBKYLQF-UHFFFAOYSA-N 457.578 4.697 10 10 JJCE CC[C@H](Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)OC(C)C 1858850626 NSJURXSPLTZBFQ-NRFANRHFSA-N 487.512 4.610 10 10 JJCE CCc1sc(NC(=O)[C@H](N)CC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1865917935 MPRSRPRWKUMZDJ-CQSZACIVSA-N 453.402 4.839 10 10 JJCE CCC[C@@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867152913 AHCQUXIJQAULKS-HXUWFJFHSA-N 489.597 4.888 10 10 JJCE COCCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162829 NICFCKHDYIMVNA-UHFFFAOYSA-N 497.517 4.629 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCC3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165695 PXEPZDGYMOHMIN-UHFFFAOYSA-N 454.574 4.692 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424940 LWFAHPWMYXRPKH-UHFFFAOYSA-N 492.570 4.906 10 10 JJCE COC(=O)c1c(C2CCC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080012642 RSNKOFQZDYUNPM-SFHVURJKSA-N 496.345 4.646 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2080031143 XYBQHXMTTREGCM-KRWDZBQOSA-N 451.361 4.833 10 10 JJCE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)c2ccc(N3CCCC3)cc2)C1 2268749603 CBZMYMVOXQYSMY-XMMPIXPASA-N 452.595 4.774 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 2313559125 RKKLTIXGYCNWRP-UHFFFAOYSA-N 494.519 4.774 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(C)C)C2=O)c1 2314504355 IGRISUOZTHROSX-UHFFFAOYSA-N 451.573 4.652 10 10 JJCE Cc1ccc(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 2321908621 SHDMKFPKMFJWQX-UHFFFAOYSA-N 478.548 4.661 10 10 JJCE CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 33337925 XTWBJEHCSWXDOT-IUXPMGMMSA-N 494.388 4.991 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccccc3C(F)(F)F)c3ccco3)CC2)cc1 38620106 WDBSRWWKICVBDW-QFIPXVFZSA-N 488.510 4.992 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(Cl)cc23)[C@H]2CCS(=O)(=O)C2)cc1 54362140 GFLCESXLQSBFIZ-QFIPXVFZSA-N 489.037 4.691 10 10 JJCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 170550031 VAGMIVVIXUGSAA-UHFFFAOYSA-N 479.583 4.900 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OC(C)C 206713254 YBKQIOKOIYHNGI-XMHGGMMESA-N 451.610 4.807 10 10 JJCE C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)CNc3ccccc3C(=O)c3ccccc3)c2)C1 257638944 OJHUCMZUWKAURM-FQEVSTJZSA-N 476.598 4.633 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526462190 BQDRHUQEHPVMIO-DEOSSOPVSA-N 475.497 4.730 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2ccccc2F)c1 1860503521 IFMHRCFPKQYQEC-UHFFFAOYSA-N 465.440 4.501 10 10 JJCE CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 1866193436 SMBKXUFPDLEAPA-CVEARBPZSA-N 493.423 4.764 10 10 JJCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1c(O)ccc2ccccc12 2205690335 NNLLRFZUPXEUJE-UHFFFAOYSA-N 473.614 4.833 10 10 JJCE Cc1cccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)c1 2314837601 UQUDFHAHSVPHLU-ZDUSSCGKSA-N 461.406 4.986 10 10 JJCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCCc1nc2ccccc2s1 2314913672 RUAJOPIDEOKQRZ-UHFFFAOYSA-N 488.059 4.900 10 10 JJCE O=C(O)CCCNc1cc(N2CCN(C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 2494292 IQRNRLGHLRNYJH-UHFFFAOYSA-N 488.588 4.771 10 10 JJCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39989801 XWVOGPXHGPPJSS-KTPAIHBBSA-N 484.691 4.674 10 10 JJCE CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCCOc1cccc(C)c1 96450479 SEGYMGFBYUBMIK-MRKXPFMVSA-N 496.614 4.791 10 10 JJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc(C)cc1 96459403 DWVYIXYIRQBQLZ-ONVPTEKUSA-N 452.561 4.522 10 10 JJCE O=S(=O)(O)c1ccc(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c2ccccc12 143962765 ITTGERBNKSJRIQ-QURGRASLSA-N 458.473 4.607 10 10 JJCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4ccc(F)cc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)CC1 526389472 YALRERZDSKNSTO-MHZLTWQESA-N 486.591 4.701 10 10 JJCE O=C(Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)NC1CCCC1 586608336 PVTSZFAJTIAQSO-UHFFFAOYSA-N 453.498 4.778 10 10 JJCE CCCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858847422 MSIIJWCEOHANFW-MRXNPFEDSA-N 487.512 4.612 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1865861512 FHSTWVGKONRBQT-IZZNHLLZSA-N 494.680 4.532 10 10 JJCE CCc1ccc(OCCCC(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c1 1865933745 MSWOLWUQANQKIV-XMMPIXPASA-N 499.453 4.876 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1-c1ccccc1 1866040421 DGGRUMGWZCNTQI-QGZVFWFLSA-N 464.543 4.510 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)CCc2ccc(Br)cc2)N2CCCCC2)cc1 1866089911 NRAZEIHWDKGTMG-HSZRJFAPSA-N 458.444 4.791 10 10 JJCE CCCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867823883 FZTWIIQXEINJQC-SVBPBHIXSA-N 478.681 4.693 10 10 JJCE CC[C@@H](C)N1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165361 LERKNXUHVPRAAI-GOSISDBHSA-N 457.574 4.771 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873170936 XFFAMIKYDNFOPB-UHFFFAOYSA-N 490.607 4.992 10 10 JJCE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163170433 WZAJNCGBAQSPGU-GOSISDBHSA-N 474.646 4.788 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1Cl 2296398006 MRQYBNCCGNADLD-UHFFFAOYSA-N 470.312 4.518 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(Br)c1 2297303119 RKSSGBMGIQPBAY-UHFFFAOYSA-N 464.362 4.508 10 10 JJCE Cc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(C)c1 2297327687 RHEXUBXNCFGXND-UHFFFAOYSA-N 454.573 4.652 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(=Cc3ccc(OC)c(Br)c3)SC2=S)cc1 2297456771 USMSTSYTPBUVDI-UHFFFAOYSA-N 464.362 4.650 10 10 JJCE CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313559396 XRVBIDAYAIWDCW-UHFFFAOYSA-N 490.604 4.911 10 10 JJCE Cc1ccccc1CSc1nnc(NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)s1 2314578463 QHRQROQFDLYVJC-UHFFFAOYSA-N 498.680 4.979 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(C(C)C)C2=O)CC1 2314648130 PYEKBCPDBWZYTG-UHFFFAOYSA-N 469.632 4.624 10 10 JJCE CCOC(=O)CCCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)cc2)SC1=S 2314761844 YIQQBEUWUZPFIN-UHFFFAOYSA-N 455.601 4.853 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 2314827431 DUQFPQLSIREEBW-UHFFFAOYSA-N 482.505 4.650 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144846 SMHURHZIJVTJRR-UHFFFAOYSA-N 463.877 4.793 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1 8634702 CFAMJPWNSWVSFI-DEOSSOPVSA-N 480.362 4.507 10 10 JJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15039791 CNSKNMNVZWCBMX-PDGQHHTCSA-N 462.980 4.674 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3F)CC2)cc1 15727901 GDAWLAXKUYUAMW-UHFFFAOYSA-N 473.504 4.795 10 10 JJCE O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 33695659 FEPPJLIFJBHBND-DHTUTPIOSA-N 474.947 4.615 10 10 JJCE Cc1ccc(N2C(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C(O)=NC2=S)cc1C 59857935 MLTGDUCFITZNOP-CIAFOILYSA-N 475.530 4.686 10 10 JJCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/NCCC(c1ccccc1)c1ccccc1 103844554 NOBASNJMYCEVIK-HAVVHWLPSA-N 476.001 4.783 10 10 JJCE COCCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 1565538578 PMHSEEPGZMFGAV-GJZUVCINSA-N 476.617 4.879 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC[C@H]4C)nc4ccccn4c3=O)SC2=S)cc1 1772721504 WBZXUJJWKFZCQF-AFDUHFSSSA-N 490.654 4.783 10 10 JJCE CC[C@@H](Oc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)OC(C)C 1858850627 NSJURXSPLTZBFQ-OAQYLSRUSA-N 487.512 4.610 10 10 JJCE COC(=O)c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1 1865675408 GFMRPVWXWWCTTD-GDNBJRDFSA-N 453.214 4.584 10 10 JJCE CCc1cccc(CC)c1N1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865925762 QUFHLLOOLAINLP-VPUSJEBWSA-N 490.692 4.574 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc3cc(Br)ccc3oc2=O)N2CCCCC2)cc1 1866291956 MIRMCSWVFBXJMQ-JOCHJYFZSA-N 498.421 4.579 10 10 JJCE CCCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867823882 FZTWIIQXEINJQC-RRPNLBNLSA-N 478.681 4.693 10 10 JJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC[C@@H](CO)C4)nc(-c4ccccc4)n3)cccc21 1868363511 PSOFIWZTDQVZAR-LJQANCHMSA-N 490.563 4.871 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873164423 BISXNQOUSHWPSA-UHFFFAOYSA-N 475.564 4.528 10 10 JJCE COc1cc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952908824 DMTXSJHGTQAYOC-RDPSFJRHSA-N 475.497 4.503 10 10 JJCE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 2111963483 XSDVMLUBORJEOI-MXXVBZNESA-N 451.764 4.541 10 10 JJCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2180814619 XWLSCNSENHMSJT-DCFHFQCYSA-N 468.594 4.756 10 10 JJCE CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 2293127109 IYZRWSOXNHMGDF-OAHLLOKOSA-N 458.470 4.825 10 10 JJCE CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296714406 WEBJLYKRUDHFRH-UHFFFAOYSA-N 459.390 4.587 10 10 JJCE CCc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(c4ccccc4)C3=O)cc2)s1 2314488680 MESPPNUZMQORKR-UHFFFAOYSA-N 482.612 4.524 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)ccc2OC)SC1=S 2314770110 ZIVSSYZDZVEUIZ-FQEVSTJZSA-N 457.573 4.600 10 10 JJCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)SC1=S 2314837869 XSVJLIPQEBWDSK-AWEZNQCLSA-N 468.600 4.911 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSCc1nc[nH]c1C 12651851 UWKKNWPKLKMVTQ-HMMYKYKNSA-N 454.625 4.628 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 14478109 DXRZPMGWIJBZLY-OHUGHZGNSA-N 461.543 4.900 10 10 JJCE CCOCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33458375 NPZHLVFHSPVHBP-CYVLTUHYSA-N 497.667 4.782 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(C(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1 33787044 ZZCHDAYVIUOXLE-LZYBPNLTSA-N 454.356 4.809 10 10 JJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 1858587431 BETDFQFTPGJPGQ-KGENOOAVSA-N 454.617 4.644 10 10 JJCE COc1ccccc1CN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858589146 OUWQGSKWNSSGJP-CXUHLZMHSA-N 466.378 4.573 10 10 JJCE CCCCOC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858847191 HBXXUACKNGSKGW-MRXNPFEDSA-N 487.512 4.612 10 10 JJCE CC(=O)c1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860345254 XMGYZKZWACIFMZ-UHFFFAOYSA-N 476.536 4.806 10 10 JJCE CCc1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347292 HWWGFZDCKTVILT-NDEPHWFRSA-N 464.569 4.989 10 10 JJCE CCOC(=O)[C@@H](C)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1866267134 CCSZMDPOCOKLCN-NSHDSACASA-N 468.369 4.664 10 10 JJCE Cc1cc(Cl)cc2c(O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)nc12 1866511531 WGMBEZYBUQLUTB-HSZRJFAPSA-N 467.013 4.925 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873165071 ATMVWSNNKPIQBK-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873166347 MNDZZGJJWUHUEZ-UHFFFAOYSA-N 469.585 4.915 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1O 1952828703 DFTWKHSWIMDQIM-URXFXBBRSA-N 474.469 4.697 10 10 JJCE Cc1cc(C=C2NC(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 2313540782 UEKIDESQNCPFIP-UHFFFAOYSA-N 476.627 4.632 10 10 JJCE O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1cccc(C(F)(F)F)c1 2314486894 NMQKVCDQKBPPIQ-UHFFFAOYSA-N 472.897 4.865 10 10 JJCE COc1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1Br 2314740598 LAVVZXYONQBKPU-UHFFFAOYSA-N 470.410 4.535 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OCC)c2)SC1=S 2314759596 DCZZXKSKBTUCFV-UHFFFAOYSA-N 471.600 4.819 10 10 JJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)o1 33342701 XUWQPKGYVURSOD-UNOMPAQXSA-N 461.430 4.987 10 10 JJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33752014 ZOGDSKDJSYDOFP-XDJHFCHBSA-N 470.664 4.773 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 526274902 YPTKHGYMNMBTPI-QFIPXVFZSA-N 471.868 4.965 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 1084056367 DHWSAMSKCYFQFG-GZTJUZNOSA-N 485.279 4.706 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014312 RTHKJIDAKRPUAE-HSZRJFAPSA-N 496.567 4.561 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679474 ORYHXAQQCVEKMA-LPYMAVHISA-N 485.496 4.513 10 10 JJCE CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866839168 MIZALMHLIGRWQO-MZNJEOGPSA-N 486.543 4.703 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168290 QBCRPCAQTIHBCA-HSZRJFAPSA-N 493.611 4.812 10 10 JJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873169527 OTWWNRNIYQINOW-CJFMBICVSA-N 476.665 4.684 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@](CNCc2cc(Cl)cc(Br)c2O)(C2CC2)C1 1965955241 GISMMAQQCHULBQ-FQEVSTJZSA-N 459.812 4.935 10 10 JJCE O=C(NN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S)c1csc2c1CCCC2 2053509260 RHIXEJUBJWKRQB-UHFFFAOYSA-N 471.585 4.638 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)cc1C 2079998995 FNHSNSYTWQUHKF-KRWDZBQOSA-N 480.346 4.949 10 10 JJCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(CN)c2I)cc1C 2080039258 VPWSLEJFWHEHTG-KRWDZBQOSA-N 453.368 4.566 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)ccc(N)c2C1 2163165378 OZYHKMRMCMJHLQ-MSOLQXFVSA-N 472.630 4.540 10 10 JJCE CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br 2294199209 FGGGUNMYRWFCLJ-GFCCVEGCSA-N 477.355 4.597 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3C)C2=O)cc1Cl 2296124400 ARCZWJFQCAGQJX-UHFFFAOYSA-N 463.921 4.504 10 10 JJCE COc1cccc(OCCOc2cccc(C=C3C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2)c1 2297335371 ZJHZYUSEEVBJMX-UHFFFAOYSA-N 498.564 4.820 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1nc2ccccc2s1 2297349819 YVWGFKUHVVLXLI-UHFFFAOYSA-N 483.596 4.645 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 2297499631 QTJMNUHCVCYQAJ-UHFFFAOYSA-N 481.936 4.955 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 2313548392 UZGULYPOYPKHFG-UHFFFAOYSA-N 487.350 4.693 10 10 JJCE COCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)SC1=S 6581450 KCEUNBWRBNYMLH-LDADJPATSA-N 464.406 4.876 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 15044397 MXXSMQKCSVZHFE-CYVLTUHYSA-N 472.588 4.857 10 10 JJCE Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 20662743 KATZXUVMHFTSOJ-LMSRTUJASA-N 491.569 4.779 10 10 JJCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@H]32)c1 20709206 QWTLHSXJXPYURR-XMERXJNXSA-N 489.553 4.878 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 33469177 YPDGPLDORXJCSZ-RCCKNPSSSA-N 490.654 4.641 10 10 JJCE CC(C)(C)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)cc1 33750448 ODAYRFNUUYUWNW-SGNDLWITSA-N 497.522 4.818 10 10 JJCE COc1cc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 205954209 BOBNSRPFWAQPKV-XQNSMLJCSA-N 461.493 4.989 10 10 JJCE CCCCCCOc1cc(N)c2c(c1N)C(=O)c1c(N)c(OCCCCCC)cc(N)c1C2=O 206678277 JMZBZYYIWTZSDP-UHFFFAOYSA-N 468.598 4.709 10 10 JJCE Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 213811024 PKLRZKUQIWHKDL-SREVYHEPSA-N 484.950 4.686 10 10 JJCE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 728751026 FKRVSOPZSWISNJ-IBGZPJMESA-N 484.591 4.882 10 10 JJCE O=C1OCCN1c1ccc(F)c(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 1115884474 ATRJNBMXBMKSBF-QFIPXVFZSA-N 473.464 4.942 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(Br)cc1F 1860658434 UYXPZXNNAUHXDE-UHFFFAOYSA-N 480.559 4.828 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)N=C2C(F)(F)F)cc(OC)c1OC 1865668097 GKSTWLVOGWIEAA-ZSOIEALJSA-N 454.832 4.710 10 10 JJCE CC[C@](C)(NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696325 JACCUNUJXVUOOW-WNJJXGMVSA-N 479.665 4.767 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868701979 LFSMENRABCCDKC-XMMPIXPASA-N 486.056 4.722 10 10 JJCE CCC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868731699 OQGIBGHOUYMHQF-SANMLTNESA-N 479.665 4.695 10 10 JJCE CCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162259 NCGHMWKUZIDLJB-UHFFFAOYSA-N 466.585 4.898 10 10 JJCE CSc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421324 RIUKEETTWVGEDO-UHFFFAOYSA-N 474.630 4.570 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC 2313560938 MDMIHVBPHLDGJD-UHFFFAOYSA-N 493.741 4.566 10 10 JJCE CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9642060 QDJKJMVOFDRLFM-UHFFFAOYSA-N 474.561 4.554 10 10 JJCE COc1cccc([C@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1O 14459788 FHHKKTQPKSCQDQ-RLSLOFABSA-N 462.571 4.706 10 10 JJCE C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])c(OCC)c2)SC1=S 33446833 WTEWFMNJKZLYLE-DEDYPNTBSA-N 456.545 4.960 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc4c(O)cccc34)C2=O)cc(OC)c1OC 1860084963 BMWYHQHKHYJWHI-UDWIEESQSA-N 453.541 4.977 10 10 JJCE COc1cc(NC(=O)CCNCc2cc(Cl)cc(Br)c2O)c(OC)cc1Cl 1860658868 XXJVVLSZEHVWNR-UHFFFAOYSA-N 478.170 4.597 10 10 JJCE CC(C)[C@@H](CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866740617 MKWPSJJHCVJMKT-GAJHUEQPSA-N 486.543 4.874 10 10 JJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC[C@H](CO)C4)nc(-c4ccccc4)n3)cccc21 1868363510 PSOFIWZTDQVZAR-IBGZPJMESA-N 490.563 4.871 10 10 JJCE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCC 1873581768 ANVWZNMMZHBVOW-UHFFFAOYSA-N 492.668 4.877 10 10 JJCE CCOC(=O)c1c(C2CCC2)nn([C@@H](C)c2cc(C)c(C)cc2O)c1I 2079999397 XAWIYPZBQUXBMT-ZDUSSCGKSA-N 468.335 4.864 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)OC 2294623642 LYCYJYJJWOCAST-UHFFFAOYSA-N 481.954 4.835 10 10 JJCE Cc1cc(C)c(NC(=O)CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(C)c1 2296881551 NWWSLXVYDVUGBO-UHFFFAOYSA-N 454.573 4.571 10 10 JJCE O=C1N=C(NS(=O)(=O)c2cccc3ccccc23)SC1=Cc1ccc(Br)cc1 2297456567 CGDLWHGPJPVPDU-UHFFFAOYSA-N 473.373 4.551 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3cccc(OCCOc4cccc(OC)c4)c3)C(=O)N=C2S1 2297499474 HLPVBCPRTDSAAP-UHFFFAOYSA-N 464.547 4.572 10 10 JJCE CCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314648109 ORGYMBLBQXKNPI-UHFFFAOYSA-N 483.659 4.934 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(CC(=O)OC2CCCCC2)C1=O 2314740495 JRYLRMGSGFSUTH-UHFFFAOYSA-N 484.437 4.925 10 10 JJCE COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15044299 NXPJFNOVKMDDAH-HKWRFOASSA-N 456.589 4.801 10 10 JJCE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N12 20114651 UGEPYUSIUPNZLH-IHCXJTTMSA-N 462.965 4.560 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)Cc3ccc(F)cc3)CC2)cc1 20289522 UTXOTSVKKNOUMG-AFMDSPMNSA-N 467.610 4.507 10 10 JJCE O=C1/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 33315472 SDEXYZLJKRKMCL-MLPAPPSSSA-N 455.286 4.608 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 96505556 URWIWKCLLKNIKF-DEDYPNTBSA-N 457.573 4.649 10 10 JJCE N=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 102470227 YNYARFGKYDLSQF-AQCGAIBZSA-N 466.448 4.721 10 10 JJCE CC(C)(C)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)cc1 104111660 ODAYRFNUUYUWNW-KMDXXIMOSA-N 497.522 4.818 10 10 JJCE Cc1cc(I)ccc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 1083863534 KKZLWVBHDJDXFT-WQRHYEAKSA-N 493.370 4.772 10 10 JJCE COC(=O)c1c(NC(=O)c2ccc(N)c(O)c2)sc(C)c1-c1ccc(Br)cc1 1866095685 IXBWUCZOOLIDHJ-UHFFFAOYSA-N 461.337 4.813 10 10 JJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)cc1 1873165776 VAKZLXUKZPYKLP-UHFFFAOYSA-N 485.584 4.549 10 10 JJCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cccc1[N+](=O)[O-] 1952545809 VDYOFAZYFFALER-HXUWFJFHSA-N 462.458 4.745 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4c(C)cccc4C)c(OC)c3)C(=O)N=C2S1 2293641214 GKWPATYWDZDEBY-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)c1 2296545931 BMWNRMNTDXUXAI-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE Cc1ccc(OCCOc2cccc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2)c(C)c1 2297310352 DWYQNAPKWFYNOM-UHFFFAOYSA-N 488.491 4.943 10 10 JJCE COc1cc(Br)c(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OC 2297366537 JFPTWLJGFVJUJK-UHFFFAOYSA-N 480.361 4.570 10 10 JJCE Cc1ccc2nc(N3CCCC3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314401291 WZFUUJZVXNDRES-KRWDZBQOSA-N 476.627 4.566 10 10 JJCE CCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314648315 VNFUNBIHMVDDIS-UHFFFAOYSA-N 483.659 4.934 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 2323880154 XASWYALFFSHHBS-LJQANCHMSA-N 472.632 4.607 10 10 JJCE COc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2F)N(C)Cc2cn(C)nc2C)CC1 15003683 DAUBNEQGLARUFQ-AREMUKBSSA-N 480.628 4.537 10 10 JJCE Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 23083243 DXHPOBXAFNWHHU-UHFFFAOYSA-N 453.523 4.687 10 10 JJCE N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 33457534 QARMOGMWOQBZPN-HRIUQOHOSA-N 462.512 4.568 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 34889700 CPFDKPKKXBMADA-AQRZYSDFSA-N 490.654 4.565 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 103785528 BYGFMDOKVFBYPK-WOJGMQOQSA-N 450.838 4.543 10 10 JJCE CCCCCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862135375 INHKIJWDZLKPDQ-HHHXNRCGSA-N 493.648 4.608 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc3c(c2)OCCO3)cc1 1865671896 UJVZTXQJMWJTAP-BUVRLJJBSA-N 454.526 4.913 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867964534 LKIGMIFOSBUNSK-VWLOTQADSA-N 487.648 4.529 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(Oc5cccc(Cl)c5)CC4)nc(C)n3)CC2)cc1 1869288895 FFMKWQNPSJHCRA-UHFFFAOYSA-N 494.039 4.821 10 10 JJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1OC 1873931548 PZSFNJGEJQMHPU-UHFFFAOYSA-N 494.551 4.620 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(Cc2ccccc2)C(C)(C)C1 1881512487 ACKKDJHRLINWLM-MHZLTWQESA-N 452.643 4.530 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)cc1C 2080007490 PPSYKJXLNRSHCM-SFHVURJKSA-N 468.379 4.989 10 10 JJCE Cc1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2293591245 PJRDSTJLCGLSIV-UHFFFAOYSA-N 483.524 4.674 10 10 JJCE CCOC(=O)COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc1OCC 2294061309 RWMMPUHEEIJNIK-UHFFFAOYSA-N 487.350 4.596 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1Cl 2294118600 CHLQDVQYYUZQQR-UHFFFAOYSA-N 485.279 4.926 10 10 JJCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1 2296223308 SSMGYNZJSLEFLZ-UHFFFAOYSA-N 451.526 4.614 10 10 JJCE COc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OC(C)C 2297505619 QHOVCXNDFGHHAE-UHFFFAOYSA-N 473.323 4.749 10 10 JJCE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 2313560228 NHYQWHIHNKYUKZ-UHFFFAOYSA-N 496.336 4.971 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314506042 ANNKKDDVJLDZDX-UHFFFAOYSA-N 471.991 4.978 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 2314936062 UHUAWEIZBSZAGC-LBPRGKRZSA-N 463.964 4.996 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCOC)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 33431085 HTQBUHVEIZUCOC-GXANDWEQSA-N 499.610 4.560 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc(OC)c1OC 33932033 FKIZIUIUXDVBAZ-DEDYPNTBSA-N 486.615 4.559 10 10 JJCE O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nc2ccc(F)cc2s1 39874958 XMJCSYNQYQIOIV-CHHVJCJISA-N 463.968 4.929 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1cccc(OC)c1O)N2 48990323 QRAUGIWTKGCTKL-FQEVSTJZSA-N 457.958 4.527 10 10 JJCE biogenic Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C 83310438 HYKFOFWCPWIGEQ-RISWYLRJSA-N 491.569 4.779 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3CN3C(=O)c4ccccc4C3=O)cccc21 170556406 QHFLPSZKRAUAAY-ROUUACIJSA-N 492.531 4.503 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C\c3cccc(OCc4csc(C)n4)c3)CC2)cc1 209667377 VHYBJKDJXAKKAI-GHXNOFRVSA-N 463.603 4.791 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526333686 RQSLQIWVIHDVDO-RUZDIDTESA-N 474.513 4.902 10 10 JJCE CN(Cc1ccccc1)C(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344909 HBOOWPDVMLREDI-UHFFFAOYSA-N 462.553 4.623 10 10 JJCE CC[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866948356 FLGUZQSSIWWROK-MAUKXSAKSA-N 474.944 4.752 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868696172 RSCCVQOMIMQADF-KAYWLYCHSA-N 479.665 4.767 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423755 RCBJABSFXAMNSB-UHFFFAOYSA-N 483.547 4.712 10 10 JJCE Cc1ccc(-n2c(C)cc(C=CC(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 2042449371 RLMDMBUWZKBFRA-UHFFFAOYSA-N 499.611 4.836 10 10 JJCE CCc1nn(Cc2c(O)cccc2Br)c(I)c1C(F)F 2079719767 YQRNXZIUEXQEIC-UHFFFAOYSA-N 457.056 4.504 10 10 JJCE CC(C)c1ccccc1OCCn1cccc1C=C1C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 2293308568 RZTZBGGHDFXKPK-UHFFFAOYSA-N 475.496 4.872 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 2296882295 NEEYTFHLJWOXRT-UHFFFAOYSA-N 484.599 4.799 10 10 JJCE Cc1ccccc1OCCOCCOc1ccc(Cl)cc1C=C1SC(=S)N(C)C1=O 2297306625 HOADFPODVXXQBQ-UHFFFAOYSA-N 464.008 4.954 10 10 JJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)c(C)c1 2314829250 SAAQSTYPJHAAQS-UHFFFAOYSA-N 494.598 4.674 10 10 JJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3cn(C)c4ccc(OC)cc34)SC2=S)N(C)C)cc1 2323879990 DXCRZPRTDAPXBT-JOCHJYFZSA-N 481.643 4.700 10 10 JJCE CN1CCN(c2cc(Nc3ccc(N(C)C)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 2457248 GTRYNEORHIVIJE-UHFFFAOYSA-N 453.546 4.601 10 10 JJCE CC(C)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Br)ccc1O)N2 9543082 XUMNOAWFUBDHSU-HXUWFJFHSA-N 486.410 4.608 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15044728 CMXZBTLNLCZCGD-FXBPSFAMSA-N 482.627 4.706 10 10 JJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3)CC2)cc1 15727961 DJAAJLIBCBCOIY-UHFFFAOYSA-N 455.514 4.656 10 10 JJCE C=CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2ccc(OC)cc2)SC1=S 33430223 MBGZZCWHHPUJSL-PGMHBOJBSA-N 471.600 4.939 10 10 JJCE CCCOc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 207710258 JENKYFSKUFLWCF-UITAMQMPSA-N 478.511 4.669 10 10 JJCE O=C(O)CCCCCCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=S 210501663 YTGHFVWRHDZYML-NBVRZTHBSA-N 465.593 4.557 10 10 JJCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210704805 OLYURZJKZUAQIE-HEHNFIMWSA-N 482.627 4.706 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1 526376398 BGMNFWWIZWFRQQ-RUZDIDTESA-N 477.513 4.959 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC[C@@H](CN2CCCCCC2)C1 728530319 KIKNEUBNBREWMY-XSLGSPGOSA-N 491.748 4.844 10 10 JJCE CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(-c4c(F)cc(F)cc4F)c(C)s3)cc2C[C@H]1C 729110411 FXQPWWZDPYDUJX-SNVBAGLBSA-N 481.521 4.634 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1858151391 CHXGVVMQPVFDQH-RUZDIDTESA-N 478.564 4.722 10 10 JJCE C[C@H](O)Cn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871196704 CJIROSMJJMAOTG-NRFANRHFSA-N 498.583 4.602 10 10 JJCE CCN(CC)CCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170041 MFKBQBWMGQPABX-CPJSRVTESA-N 476.665 4.684 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425764 GIHDSGQOQKQVCA-UHFFFAOYSA-N 485.975 4.905 10 10 JJCE Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(Cl)cc12 1874179107 NULPOHMOPIUGRP-UHFFFAOYSA-N 473.868 4.548 10 10 JJCE O=C(OCc1ccccc1)N1CCC(NCc2cc(Cl)cc(Br)c2O)CC1 1948159405 IEOPABWPEFILGN-UHFFFAOYSA-N 453.764 4.699 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(CO)c2I)C2(C)CC2)cc1C 2079847348 RFXXTBUZQSUBLX-OAHLLOKOSA-N 462.278 4.630 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2106858121 SKOODJIVBLCYSQ-BTZRARBUSA-N 453.627 4.828 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2O)C[C@@H]1C(F)(F)F 2279274582 JFHYCIFXJFJTGM-GXTWGEPZSA-N 453.299 4.575 10 10 JJCE CC(C)(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 2297551032 ZEGJUTFTGFGDJU-UHFFFAOYSA-N 458.470 4.609 10 10 JJCE CCN(C=C1SC(=S)N(c2cc(Br)cc(Br)c2)C1=O)CC 2313610161 SWXVLXHQYVACMD-UHFFFAOYSA-N 450.221 4.760 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)cc1 2314933762 XIZAPYXKRHAROR-UHFFFAOYSA-N 456.589 4.792 10 10 JJCE COc1cc(C=C2SC(=S)N(c3ccc(F)cc3F)C2=O)cc(Br)c1O 2321755779 JNDSVQSESFLYGK-UHFFFAOYSA-N 458.305 4.847 10 10 JJCE O=C(O)CCCN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S 2326954607 DXYRILOZVUWVEP-UHFFFAOYSA-N 454.548 4.895 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468500 QEFIMCBGTKFIDD-ISJBWFOZSA-N 482.602 4.622 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@H]32)cc1O 20690272 ZFENHQYUHOMORS-GNMOFYLKSA-N 474.582 4.979 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 33317801 TXELUGMBAWWIEO-DEDYPNTBSA-N 456.589 4.551 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)CC1 226748148 MCQFLKVBDSIDTP-PQNGQFLHSA-N 453.564 4.842 10 10 JJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526623560 AMIVZPHJSBHVOV-VWLOTQADSA-N 460.505 4.664 10 10 JJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)C2=O)c1 1084429426 KHMLCXNXJBFHJM-MOSHPQCFSA-N 466.534 4.591 10 10 JJCE CC(=O)c1cc(F)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1O 1473631537 WJTNNSYQRGRSQY-IFMALSPDSA-N 460.521 4.756 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 1859573382 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VKFJHLHTVCIDEF-UHFFFAOYSA-N 494.636 4.553 10 10 JJCE Cc1ccc(CN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164318 VXSJHVBIJJJGHC-UHFFFAOYSA-N 476.580 4.867 10 10 JJCE CC(C)(C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1cc(Cl)cc(Br)c1O 1951972709 ZFDUSMWPYVPHSI-MRXNPFEDSA-N 456.720 4.886 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2080048302 QKZBPMXHQJTWSB-NSHDSACASA-N 464.250 4.534 10 10 JJCE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2163164433 GGXMGLNOIWBGGI-KRWDZBQOSA-N 474.646 4.692 10 10 JJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 2293116037 KCXZOASRKXIEGF-UHFFFAOYSA-N 466.896 4.918 10 10 JJCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 2293308506 RDYPDWLPBWNRRG-GFCCVEGCSA-N 463.964 4.602 10 10 JJCE COc1cc(C=C2SC(=S)N(CNc3ccccc3Cl)C2=O)cc(OC)c1OC 2296733663 XVBPLWWWUYQBCV-UHFFFAOYSA-N 450.969 4.637 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N[C@@H](C)c3ccccc3)nc12 2297312827 HQNJKEHIQZSQRC-INIZCTEOSA-N 464.616 4.786 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314413692 FDBSKOJAQALRAR-KRWDZBQOSA-N 478.643 4.657 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1Br 2314764582 GWZFKKSTOLOPAN-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314837479 SQVWTBKSTAEUGG-QGZVFWFLSA-N 498.626 4.830 10 10 JJCE CCCC[C@@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330103640 PHNDBBCAIHNKDI-RUZDIDTESA-N 484.040 4.776 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=Cc3ccccc3Cl)c3ccccc3)CC2)cc1 2330455779 QZYZEPZWGMHQLN-HHHXNRCGSA-N 490.003 4.568 10 10 JJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238991 XSEHFDHEZNLWCD-JKGLIZDUSA-N 487.497 4.725 10 10 JJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCCCC2)SC1=S 33811856 VYZFEGBUCCJFKZ-MKYLKIGJSA-N 486.707 4.973 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)C(O)=NC2=S)cc1 38166839 XSGPFOTUHUFZHL-ZSOIEALJSA-N 481.755 4.878 10 10 JJCE CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1cc(C)n(-c2cccc(Br)c2)c1C 101402495 LDTSRRVLXMZWAL-FYJGNVAPSA-N 487.394 4.566 10 10 JJCE Cc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1 102856320 DYFZLGQPZZIWPH-MTGQSCQBSA-N 465.596 4.994 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)c2)CC1 1269318902 QZIXNIDJZFGUDM-UHFFFAOYSA-N 451.473 4.678 10 10 JJCE COCCN(Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O)C[C@H]1CCCN2CCCC[C@H]12 1614473776 PMMPCFUQDDXMBO-CJFMBICVSA-N 464.606 4.673 10 10 JJCE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(F)F)C1 1760590907 JDKXYGRPJJVDOQ-OAQYLSRUSA-N 484.595 4.703 10 10 JJCE CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(C(C)(C)C)cc2)cc1 1858033517 FEAITDQZBLKGTN-UHFFFAOYSA-N 450.560 4.974 10 10 JJCE CSCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860602007 LEZIJUUFEWIIDT-UHFFFAOYSA-N 498.604 4.816 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc(C)c1-c1ccc(C)c(C)c1 1860749203 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453.427 4.966 10 10 JJCE CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2296882473 WCTKFJMLDONRNI-INIZCTEOSA-N 477.991 4.992 10 10 JJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 2296929582 LITRDJKHXBVCPP-UHFFFAOYSA-N 453.926 4.718 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 2314414884 PUIZAQYMJQREBQ-UHFFFAOYSA-N 468.604 4.599 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCCC(=O)O 2314936318 XIHSDUXDMQRECB-UHFFFAOYSA-N 457.573 4.907 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCCC(C)C 13343131 KPSLHDWDPUQEDM-RGEXLXHISA-N 451.610 4.966 10 10 JJCE C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 15046405 AEXRGVNBNBXQKD-FFCYNSPCSA-N 452.479 4.639 10 10 JJCE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Oc1ccccc1 33458333 ZQZIDPFBQPTZBU-FYJGNVAPSA-N 481.551 4.674 10 10 JJCE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 35045237 PITVDYLNTHZLRC-XMHGGMMESA-N 454.573 4.567 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C/c3c[nH]nc3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 35516399 HNAQPQPPFXTIFN-WQRHYEAKSA-N 452.517 4.789 10 10 JJCE CCOc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4cccs4)SC3=S)sc2c1 39875055 PCNZDFPBBULWBF-DHDCSXOGSA-N 461.615 4.596 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1C 206467093 HHBULSZVFWQTKL-WSDLNYQXSA-N 485.627 4.983 10 10 JJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526404555 PRFUVJVQPADKDQ-RUZDIDTESA-N 477.513 4.961 10 10 JJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 1084483939 DSDPUNZJPCCETJ-XKZIYDEJSA-N 489.597 4.559 10 10 JJCE O=C(Cc1cccs1)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858897840 UQXNBGOQCTXPIS-UHFFFAOYSA-N 496.544 4.993 10 10 JJCE Nc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccc(Br)cc4c3=O)cc2)cc1 1866070350 YJWKIAQQUVHXSD-UHFFFAOYSA-N 450.292 4.917 10 10 JJCE COCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870846634 KVWSWIHSHHJZSG-UHFFFAOYSA-N 493.604 4.819 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5c[nH]c6ccccc56)[nH]c4c3)CC2)cc1 1872798266 RFYZUUIQNBXWBT-UHFFFAOYSA-N 465.557 4.606 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873165753 SVBVUYLGKDQTTQ-UHFFFAOYSA-N 453.586 4.949 10 10 JJCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873420950 ZQSRXWXGCWZDLU-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE CC(=O)N(c1nc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cs1)c1c(C)cccc1C 2040446662 JWCMYGBMVCZHQM-UHFFFAOYSA-N 475.617 4.511 10 10 JJCE O=C(N[C@@H]1C(F)(F)C12CC(NCc1cc(Cl)cc(Cl)c1O)C2)OCc1ccccc1 2207141292 ZOYYDSHOXVLPGZ-VDUSKEEQSA-N 457.304 4.881 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(Oc3ccc(F)cc3)nc12 2296851523 OETGBWZBXRHYRT-UHFFFAOYSA-N 493.541 4.929 10 10 JJCE Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O 2297561533 JROQCBJHSOUWTJ-UHFFFAOYSA-N 480.546 4.569 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c(C)c1 2313548990 KWBAAFDVMLZYPR-UHFFFAOYSA-N 464.861 4.581 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccccc23)cc1 2313683143 SKSZXHBQDHXTLT-UHFFFAOYSA-N 495.539 4.942 10 10 JJCE CCc1ccc(C(C)=CC(=O)N[C@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329514694 YRIPKXLPBHPRQO-XMMPIXPASA-N 480.564 4.961 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 9443629 OXBDEOPDFATWSM-DLRWLJPMSA-N 453.614 4.845 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1O 14456932 JJMMWJJJPZLNSW-DFIYOIEZSA-N 454.592 4.838 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1OC 20235921 GNBVAARVTHURDL-BLBDVUBRSA-N 497.935 4.655 10 10 JJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)CC1 83265100 SZKDWADIJQMOTQ-CJLVFECKSA-N 450.560 4.511 10 10 JJCE CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 206456141 XUMDATBBIQDZNM-XSFVSMFZSA-N 463.621 4.951 10 10 JJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727375264 KRMHLXCSRKJMSG-QHCPKHFHSA-N 478.662 4.787 10 10 JJCE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)c(F)c1 1705591531 RPCDALDLZYGBCD-IBGZPJMESA-N 475.637 4.848 10 10 JJCE C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344008 RVRVXHVKESQFHV-FQEVSTJZSA-N 476.580 4.712 10 10 JJCE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261207 JOGUUYXYYFXZRQ-RXVVDRJESA-N 456.583 4.607 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 2293738394 NOBIAALYTQZAGR-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4C)o3)C(=O)NC2=S)cc1Cl 2294229138 ZJZWIIADOSLOLX-UHFFFAOYSA-N 480.929 4.746 10 10 JJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2296943229 PUMDCCIGDWHSJR-UHFFFAOYSA-N 478.346 4.831 10 10 JJCE CCN1C(=O)C(=Cc2cccc(OC)c2OCCCOc2cccc(OC)c2)SC1=S 2297499990 CJPLGZWORUFANO-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 2313549169 OTIYPCNETYBIBF-UHFFFAOYSA-N 456.498 4.639 10 10 JJCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15045008 SQVWTBKSTAEUGG-TYYMKKSVSA-N 498.626 4.830 10 10 JJCE Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 71793951 RFOILPCKKFSJAT-UHFFFAOYSA-N 451.466 4.778 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCc1nc(-c2ccccc2)cs1 205975735 LMJHMJUUYVDQHZ-CPNJWEJPSA-N 465.625 4.718 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OC(C)C 206934846 LRPXQRWVLWPPBV-DEDYPNTBSA-N 456.589 4.727 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526468560 ZWVHQSLHMGUCBW-RUZDIDTESA-N 489.524 4.976 10 10 JJCE CCOC(=O)c1sc(NS(=O)(=O)c2cc(Br)ccc2OC)nc1-c1ccccc1 727245300 GXOQGDNHXCHMLP-UHFFFAOYSA-N 497.392 4.559 10 10 JJCE O=C(c1ccccc1)c1ccc(O)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1O 728195865 IWBWDVMFXVFBTP-LJQANCHMSA-N 473.504 4.898 10 10 JJCE O=C1OCCN1Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)c1 917635730 BJJZIVFECYPVHL-HSZRJFAPSA-N 469.501 4.798 10 10 JJCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)c(C)s1 1859573555 LTPRPTZNLNWKDA-SNVBAGLBSA-N 463.968 4.637 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc(C)c(C)s2)sc(C)c1-c1ccc(OCC)cc1 1860768070 UTQIBSIVMAVBGC-UHFFFAOYSA-N 487.603 4.949 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3Cc3ccco3)CC2)cc1 1870627677 ATMBFSSGHFQVFD-UHFFFAOYSA-N 499.611 4.708 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873170063 NAKHSNUGSYBTGG-NBGIEHNGSA-N 485.632 4.629 10 10 JJCE C[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccc(N(C)C)cc1 2140602301 MKTPPNZKWJSGLX-SQJMNOBHSA-N 452.643 4.525 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2196843173 PQEJFAKPSUBYSP-FNZWTVRRSA-N 476.662 4.510 10 10 JJCE CCN1C(=O)C(=Cc2cccc(OC)c2OCCCOc2ccccc2OC)SC1=S 2293345746 TXVGHCCKEWKODY-UHFFFAOYSA-N 459.589 4.773 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314413917 LQKOSACZHBBPGJ-UHFFFAOYSA-N 468.648 4.891 10 10 JJCE COc1cc(C=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O 2323752279 QMOQSESKXUOWBM-UHFFFAOYSA-N 450.379 4.873 10 10 JJCE NC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)N=C1O 16448931 ULWQWCZYNYKGJH-FSJBWODESA-N 499.567 4.525 10 10 JJCE Cc1cccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)c1 54201734 CJFSKCMJLOMRLS-LADGPHEKSA-N 484.581 4.879 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526141232 PKRBICQAEFENCE-HXUWFJFHSA-N 459.907 4.887 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)[C@@H]([C@@H]2SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S 606672026 KUQNBMNICUXVFU-PURYLZLUSA-N 472.682 4.967 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(Cl)ccc4OC)n4ccccc34)CC2)cc1 1858355068 RBHZDXXUIRZSOK-UHFFFAOYSA-N 476.964 4.634 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)ccc1OCC(=O)N(CC)CC 1865675260 WVFZEWAXPJETKI-KGENOOAVSA-N 483.996 4.788 10 10 JJCE COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(C(C)(C)C)c1 1865924775 LSLJKLLCZVPDON-RUZDIDTESA-N 467.654 4.781 10 10 JJCE CC[C@@](C)(NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866840772 IQLLVWSXGSSQFN-SFNQZPIRSA-N 486.543 4.703 10 10 JJCE CCOCCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162157 IMHXOWOTVONQJM-UHFFFAOYSA-N 489.591 4.572 10 10 JJCE COc1cccc(O)c1[C@@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952819943 BFQANQJHJLOJRG-NLFFAJNJSA-N 459.498 4.798 10 10 JJCE Cc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 2293202062 ZURIIIXKXVPNKI-UHFFFAOYSA-N 450.379 4.704 10 10 JJCE CCCCSc1nnc(-c2ccccc2NC=C2C(=O)N(c3ccccc3)N=C2C)c(O)n1 2297313277 GIHBAMORMAILSB-UHFFFAOYSA-N 460.563 4.855 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(OCC)c2)SC1=S 2314768203 JWMBNZOIUXFOQL-FQEVSTJZSA-N 457.573 4.687 10 10 JJCE CCOc1c(Br)cc(C=C2C(=O)N(c3ccccn3)N=C2C(F)(F)F)cc1OC 2332125766 NXQBWWITSZGJLG-UHFFFAOYSA-N 470.245 4.600 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 1857194 DODZAPKQJHIRSC-CQHJRZBDSA-N 490.654 4.956 10 10 JJCE COc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)c1 9597241 OVUICZAXHUSKLW-DENIHFKCSA-N 452.308 4.801 10 10 JJCE CCOCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33871807 BOOKYEFCDCKXGQ-XMHGGMMESA-N 497.667 4.782 10 10 JJCE CCCOc1ccc(/C=C2/C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1OCC 83331680 IOTMJSVMYMQBCM-KGENOOAVSA-N 451.519 4.760 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1O 226716588 FHHKKTQPKSCQDQ-OHUGHZGNSA-N 462.571 4.706 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526329645 WKUXVHRSBXDJRL-QFIPXVFZSA-N 453.878 4.826 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(Cc4ccccc4Cl)n4ccccc34)CC2)cc1 1858350550 URQNKKQVYHHZPK-UHFFFAOYSA-N 460.965 4.550 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1859498722 PGCPGSMMLHLNOM-UHFFFAOYSA-N 472.456 4.515 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)C(=O)c2ccccc2C3=O)C1=O 1860087002 VHTHXBABWINFLI-CIAFOILYSA-N 457.532 4.876 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)sc(C)c1-c1ccccc1 1866457942 VYHAGPPQQIQHBL-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868875923 GKRHROZKOOLXNJ-IZZNHLLZSA-N 498.067 4.866 10 10 JJCE CCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676359 KIXGVVHCKCJMPL-UHFFFAOYSA-N 493.623 4.936 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1873164543 GZHMZKYGMPFQFV-UHFFFAOYSA-N 457.574 4.773 10 10 JJCE CC(=O)NCCN1C(=O)C(Nc2ccc(C(C)C)c(C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422463 YNCCZULPPCMMGN-UHFFFAOYSA-N 498.627 4.854 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 1903857819 RNICWTYEMLCCAS-UHFFFAOYSA-N 484.599 4.799 10 10 JJCE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163172257 OJWWVABBCRBYPI-SFHVURJKSA-N 474.646 4.788 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296540817 XKZWAGUBFZEZSU-ROUUACIJSA-N 484.691 4.958 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 2296763927 GJKGQHBTIZUQLT-UHFFFAOYSA-N 469.371 4.557 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 2297460949 XSZNJWOYPBCNSG-UHFFFAOYSA-N 453.564 4.525 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NC3CCC(C)CC3)nc12 2314415153 ZFWSYKUHDAUQDL-UHFFFAOYSA-N 470.664 4.851 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2357413718 RDOUVBFXZGAUOS-JCUKEYOKSA-N 465.638 4.860 10 10 JJCE CCCN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 2509033 DJUNLIWXBXEPGD-ISLYRVAYSA-N 473.417 4.977 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cn(C4CCCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1 8594915 BAHJOXJUQVVIOY-UHFFFAOYSA-N 498.627 4.969 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC 13914954 DPXMJQMFEPBHRO-YBEGLDIGSA-N 462.287 4.505 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3c(C)cccc3C)ccc21 20729360 BMPUULACCPJHQA-UHFFFAOYSA-N 466.695 4.607 10 10 JJCE COc1ccc(N2CCN(c3c(C(=O)c4ccccc4)cnc4cc5c(cc34)OCCO5)CC2)cc1 21522529 XWUAWUFYCXFCEZ-UHFFFAOYSA-N 481.552 4.572 10 10 JJCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 33880950 HKVSWGORHPHEIW-RZKQZQCBSA-N 488.594 4.862 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)N=C3O)o2)ccc1Cl 59862104 XROYCMFOUYXECN-XMHGGMMESA-N 478.888 4.931 10 10 JJCE CC1=NN2C(=N)/C(=C\c3ccc(OCc4cccc(C)c4)c(Br)c3)C(=O)N=C2S1 101378336 QLNHTRJIETYKQK-GICBFTDPSA-N 469.364 4.976 10 10 JJCE CCCCn1nc(C)c(/C=C\C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1Cl 213811620 GABMXCYTZLBDRM-FPLPWBNLSA-N 484.950 4.830 10 10 JJCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1N(C)CCCC1(C)C 1705480824 YPJSAPYNUWGFFD-NBGIEHNGSA-N 458.654 4.931 10 10 JJCE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(F)cn1 1705881288 JMLHZJSGQQZLEE-UHFFFAOYSA-N 460.557 4.574 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)ccc1O 1858594350 VTKAVZFFRLOTFF-QTCOBDOFSA-N 454.617 4.829 10 10 JJCE CC(C)CC1=NN(c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C(=O)C1 1866191519 BUWNAFFLFWTODJ-UHFFFAOYSA-N 465.509 4.853 10 10 JJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C)c2ccc(OC)c(OC)c2)n1 1869224968 GZJDXAKIXIVECG-UHFFFAOYSA-N 477.609 4.549 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419219 VAXLFPNAUXJPBT-UHFFFAOYSA-N 493.523 4.790 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420169 KQKHREFEMSBZLS-UHFFFAOYSA-N 465.500 4.601 10 10 JJCE CCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421686 KYSWKSXWIOEIQV-UHFFFAOYSA-N 459.546 4.713 10 10 JJCE COc1cccc(-c2nc(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)c1 1874179509 HVAVLHLMHGVGQU-UHFFFAOYSA-N 454.507 4.775 10 10 JJCE COc1cccc(O)c1[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952819941 BFQANQJHJLOJRG-CPJSRVTESA-N 459.498 4.798 10 10 JJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)c(C)c1 2040469473 YADNMKXGWDGXJQ-UHFFFAOYSA-N 488.613 4.939 10 10 JJCE CCOC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079856558 UZTISAHMNFAIPX-KRWDZBQOSA-N 498.361 4.676 10 10 JJCE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNCc1ccc(Br)cc1O 2193995823 XEAGUEUODAIEBH-INIZCTEOSA-N 453.402 4.840 10 10 JJCE COc1cc(Br)c(C=C2C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 2297307449 WTTUYEISBUDZAN-UHFFFAOYSA-N 487.350 4.838 10 10 JJCE CCOc1cc(C=C2C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)cc(Br)c1O 2332110777 MBBSPQQSOMOCDQ-UHFFFAOYSA-N 473.367 4.848 10 10 JJCE COC(=O)c1ccc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccc(OC)cc2)cc1 2332139277 NQNYVECMFKSHME-UHFFFAOYSA-N 454.526 4.929 10 10 JJCE CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 2228930 IYZRWSOXNHMGDF-HBBMIWKISA-N 458.470 4.825 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1 2977058 OIBUMXZXYFWVCZ-CFIDLQCGSA-N 498.564 4.820 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5c(F)cccc5F)c(C)c34)CC2)cc1 9434200 AJZNEAINTVUIHJ-UHFFFAOYSA-N 495.555 4.865 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)N1CCOCC1 14467267 HEOYLKXJQFXWOF-WHSLLNHNSA-N 481.401 4.546 10 10 JJCE Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1 38203672 PCSUOCSIYGEITA-JJFYIABZSA-N 480.927 4.726 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 39836086 ZBYNROXQHBBGCJ-XMHGGMMESA-N 481.599 4.805 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)ccc1OC 59861442 FMNDKKPBOZNHPM-XNTDXEJSSA-N 473.323 4.980 10 10 JJCE CCCOc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 71933375 JENKYFSKUFLWCF-WEVVVXLNSA-N 478.511 4.669 10 10 JJCE CCOC(=O)c1c(CN(C)C)n(-c2ccccc2)c2cc(-c3cccnc3)c(O)c(CN(C)C)c12 85393758 OOGGPLKRDAQSKQ-UHFFFAOYSA-N 472.589 4.698 10 10 JJCE O=C1[C@@H]2[C@@H](ON(Cc3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1C1CCCCC1 247856296 JYHMXYGDUORSPD-JAXLGGSGSA-N 475.372 4.874 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 250219035 QZCJTAFRBCZBHC-PWDLFRTRSA-N 453.926 4.984 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526333499 LZYSACGCZADRDG-AREMUKBSSA-N 487.556 4.785 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526466793 VCQHSUCEJSBGBB-VWLOTQADSA-N 472.541 4.995 10 10 JJCE CC(=O)N1CCCc2cc(NCc3cc(Br)cc(Br)c3O)ccc21 1560384291 QJFOZBUDWMQEEC-UHFFFAOYSA-N 454.162 4.828 10 10 JJCE COC(=O)c1c(NC(=O)c2c[nH]c3c(OC)ccc(OC)c3c2=O)sc(C)c1-c1ccccc1 1866451967 DXMMLXPHKWAHRK-UHFFFAOYSA-N 478.526 4.621 10 10 JJCE CCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 1869969096 DQLAJPZFAACNQB-UHFFFAOYSA-N 489.407 4.648 10 10 JJCE Cc1ccc(O)c([C@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2084896173 FGKBQGIFXKXTJC-KRWDZBQOSA-N 451.608 4.549 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2294229334 LBKKALYYOIGFOO-UHFFFAOYSA-N 455.514 4.660 10 10 JJCE O=C(O)c1ccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 2297315344 IKSQQZOUVQBOOV-UHFFFAOYSA-N 471.347 4.902 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(Br)c3)C(=N)N2O1 2297347551 HFAYSZMHRSTTOJ-UHFFFAOYSA-N 482.334 4.666 10 10 JJCE CN(C)c1ccc(C=C2SC(=S)N(CNc3ccc(I)cc3)C2=O)cc1 2313501813 GARSCGQUNIZSSP-UHFFFAOYSA-N 495.411 4.628 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1nc2ccc(F)cc2s1 2314563198 XMJCSYNQYQIOIV-UHFFFAOYSA-N 463.968 4.929 10 10 JJCE COc1ccc2ccccc2c1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@H]21 14544179 SPOZWBMYPAHOHQ-SXDGJLEOSA-N 489.641 4.611 10 10 JJCE COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N1CCCCC1 15898286 TVNQTKJDVRILPU-UHFFFAOYSA-N 485.581 4.669 10 10 JJCE COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 33448757 BEVAIYQMBFJQQG-KQWNVCNZSA-N 462.527 4.577 10 10 JJCE CCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33468433 PUIZAQYMJQREBQ-LDADJPATSA-N 468.604 4.599 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)o2)cc1Cl 102469543 ZJECTHKDINSWPP-UXMLFEQVSA-N 481.965 4.540 10 10 JJCE CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 103648949 QTHXCOWOXQKRQX-FYJGNVAPSA-N 471.600 4.737 10 10 JJCE CCOC(=O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 206459764 DTDQPHLSVWOSCY-KGENOOAVSA-N 471.600 4.737 10 10 JJCE COc1ccc(O)c([C@@H](C)Nc2cc(I)cc(I)c2)c1 690333990 NRWUMJOZLXHXJN-SECBINFHSA-N 495.098 4.783 10 10 JJCE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 1083910203 CXLOLAPZKLKMMT-UNOMPAQXSA-N 479.286 4.578 10 10 JJCE COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 1084225151 XWMWTOXTDKKFMP-CFRMEGHHSA-N 484.552 4.607 10 10 JJCE Brc1ccc(OCc2nnc(N3CCCC3)n2CCCSc2nccs2)cc1 1507510231 CKFKPPIDOCYKCM-UHFFFAOYSA-N 480.457 4.859 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)c4ccccc4c3)c2)CC1 1522406620 LWRVYIIRPUQBGZ-UHFFFAOYSA-N 452.352 4.523 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1cc(C)oc1C 1705574896 RFEORDSHRVKTPJ-LJAQVGFWSA-N 481.600 4.543 10 10 JJCE CCCCOc1c(Br)cc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 1865667538 BIAHGGKXUADGSR-LDADJPATSA-N 473.367 4.905 10 10 JJCE CCCN1N=C(c2ccc(OC)cc2)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)C1=O 1865676139 SRBXXZQACYOEIJ-HAVVHWLPSA-N 470.525 4.963 10 10 JJCE Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)oc2c1 1866294160 VABNEFDJWSBLIB-QHCPKHFHSA-N 461.606 4.741 10 10 JJCE CC(C)(NC(=O)C[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866716007 AYRQCLYBRDZGRF-HSZRJFAPSA-N 480.564 4.879 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873165270 FOKFIIZCPVNWRW-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C(C)C)c1I 2079060497 HXKYXLARBARPAQ-OAHLLOKOSA-N 478.277 4.861 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1Br 2080031144 XYBQHXMTTREGCM-QGZVFWFLSA-N 451.361 4.833 10 10 JJCE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccc(N2CCCCC2)cc1 2106868856 YVASMOBNLAPPGS-JWQCQUIFSA-N 452.643 4.702 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 2296733016 MWLOVQCMCWVWOS-UHFFFAOYSA-N 478.574 4.737 10 10 JJCE Cc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 2296931373 HUWDHUYRXRNTIJ-UHFFFAOYSA-N 451.551 4.829 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOCCOc1ccccc1C 2297306621 FXOJJODYPKAQDX-UHFFFAOYSA-N 480.007 4.620 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1 2297463275 YRSDMVHRSFFPGD-UHFFFAOYSA-N 474.464 4.846 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1N1C(=O)C(=Cc2c(Cl)nc3scc(C)n23)SC1=S 2321643731 AXRGXFMSMFGDJZ-UHFFFAOYSA-N 450.954 4.980 10 10 JJCE O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1cn[nH]c1-c1ccccc1 1279228 JXYLYYXIHFSDEO-DEDYPNTBSA-N 483.519 4.888 10 10 JJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 33417374 JKRXKNDKLPFIMZ-LMEPTBFJSA-N 494.573 4.581 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066580 HESGEAAJNFBDJU-STZFKDTASA-N 480.659 4.959 10 10 JJCE COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=O)cc1OC 100712869 UWIJXDXRDFCVLY-IOLSIOFCSA-N 458.518 4.583 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526512499 ZHHBMROETIRYGI-HSZRJFAPSA-N 496.947 4.892 10 10 JJCE O=C(Nc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586705632 ZDPVAJOIBMJMKO-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)c2nccn2C)cc1 1866048845 UFWYLMJNLOZQER-GDLZYMKVSA-N 481.644 4.784 10 10 JJCE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C(C)C)C1=O 1873424490 QFKZSEQBLFLBKM-UHFFFAOYSA-N 471.557 4.871 10 10 JJCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(C=O)c2I)cc1C 2079999280 WDSZYWIGHSXHSM-LJQANCHMSA-N 450.320 4.890 10 10 JJCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163165143 NCDUUDGKRKZLNI-QZTJIDSGSA-N 474.646 4.692 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C[C@H]1CC1(Br)Br 2218009167 XSFUJEUDYBCAQV-OAHLLOKOSA-N 474.237 4.970 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)c3sccc3Br)cc2)CC1 2286071369 MJZSIDLMTARJGR-KRWDZBQOSA-N 452.418 4.616 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N[C@H](C)c3ccccc3)nc12 2297312828 HQNJKEHIQZSQRC-MRXNPFEDSA-N 464.616 4.786 10 10 JJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)C2=Cc2ccccc2C(=O)O)cc1 2332131759 BFUNQHIARYSSPR-UHFFFAOYSA-N 477.314 4.990 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O 15037781 USOIEXNCXJTAED-YVLHZVERSA-N 482.505 4.650 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)c1 15045814 GCSKDVXQBJJZAB-HJPCULJESA-N 477.405 4.692 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 15228501 OYJXWDAIWYECGL-XSFVSMFZSA-N 476.627 4.759 10 10 JJCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 16907839 YXGLSJQNQSHADY-MHWRWJLKSA-N 453.463 4.965 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)N(C)Cc4ccccc4)c4ccccc4n3)CC2)cc1 25142844 REUZPLIAQWWKKY-UHFFFAOYSA-N 466.585 4.842 10 10 JJCE CCN1C(=O)/C(=C\c2cccc(OCCOCCOc3ccc(C)c(C)c3)c2)SC1=S 27531682 JVTPLOJDLMSOPQ-CJLVFECKSA-N 457.617 4.999 10 10 JJCE O=C(CN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1ccccc1Br 35640918 XUFLKSSVYKSIDO-NEFJZHHBSA-N 459.390 4.845 10 10 JJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)c1 205952508 OGQYWFFNOGCMCU-XQNSMLJCSA-N 458.474 4.749 10 10 JJCE Brc1cc(CNCC2(N3CCSCC3)CCCC2)ccc1N1CCCCC1 1199259083 NKPXNQFVIOTPEA-UHFFFAOYSA-N 452.506 4.891 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(C)ccc2OC)sc(C)c1-c1ccccc1 1860747818 XAUNSHJAXYLNDU-UHFFFAOYSA-N 452.532 4.794 10 10 JJCE CCCC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868997441 FDQUQKHPEVJZCG-NLFFAJNJSA-N 486.056 4.866 10 10 JJCE O=C(N[C@]1(c2cccc(Br)c2O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952815888 OLQXTFPEMDYNEP-CPJSRVTESA-N 494.341 4.993 10 10 JJCE O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C=Cc2ccc(N3CCCCCC3)cc2)CC1 2040482232 LCXFZWQWYIBFPD-UHFFFAOYSA-N 475.589 4.686 10 10 JJCE Cc1cccc(O)c1Cn1nc(C(=O)OC(C)(C)C)c(I)c1C(F)(F)F 2079183947 HCMGTCJJUYSGLV-UHFFFAOYSA-N 482.240 4.524 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])c1 2225801004 RNBRCHMSCFSRBG-ZIAGYGMSSA-N 471.299 4.599 10 10 JJCE COCCCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(C(=O)OC)=C1C 2293215397 KXSIMSOWJCFOLK-UHFFFAOYSA-N 476.495 4.822 10 10 JJCE Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)C(=Cc4ccco4)SC3=S)s2)c1 2297498279 AYSPDHLDRKMPQY-UHFFFAOYSA-N 469.613 4.865 10 10 JJCE O=C(C=Cc1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 2320988256 ZDZSBMILKSFZCD-UHFFFAOYSA-N 473.488 4.761 10 10 JJCE Cc1ccc(CN[C@@H]2C[C@H](C(C)C)N(C(=O)OCc3ccccc3)C2)c(O)c1Br 2352686893 MOPDOEKDVXCPOD-WOJBJXKFSA-N 461.400 4.988 10 10 JJCE CC(C)CNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9641626 MSTPUYPZZDICGM-UHFFFAOYSA-N 470.529 4.663 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33723733 FDBSKOJAQALRAR-SWEXZPIWSA-N 478.643 4.657 10 10 JJCE CC[C@@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(OC)c3O)CC2)nc1)c1ccccc1 34681898 GQTMZOAWFWDPBO-XMMPIXPASA-N 474.605 4.640 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc(N4CCCN(Cc5cccc(C)c5)C4=O)c3)CC2)cc1 46079916 ZKTRMBYNWKMODP-UHFFFAOYSA-N 498.627 4.798 10 10 JJCE Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c(C)n1-c1ccccc1F 105638630 CBTRBKBWSGWZIZ-HXUWFJFHSA-N 450.514 4.786 10 10 JJCE Cc1ccc(Nc2oc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)nc2C#N)cc1 213216675 QVTIFNOXWBDAFJ-OCKHKDLRSA-N 476.539 4.728 10 10 JJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526467966 AVEXYLRDLITNDT-DEOSSOPVSA-N 488.540 4.614 10 10 JJCE Cc1cc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccccc1Br 726949013 UVIVRLHOJQIVJF-UHFFFAOYSA-N 486.332 4.530 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccc(OC)cc3)N(C)C)C2=O)cc1OC 1858594386 XASWYALFFSHHBS-VZMFNRANSA-N 472.632 4.607 10 10 JJCE CCCC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852300 IYTRMVVBGGRBJX-CLJLJLNGSA-N 482.644 4.524 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1869136647 WXTYOTMHGLIZNQ-DEOSSOPVSA-N 494.039 4.606 10 10 JJCE CCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164157 OULOPGFJCLHLIV-UHFFFAOYSA-N 456.590 4.939 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(CN2Cc3ccccc3C2=O)cc1 1874179436 DUIOILFFMZNGCI-UHFFFAOYSA-N 472.500 4.870 10 10 JJCE CCOC(=O)c1c(C2CC2)nn([C@@H](c2ccc(C)cc2O)C2CC2)c1I 2078992538 PNMQXNPWLZMWOG-GOSISDBHSA-N 466.319 4.555 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C(=O)O)c1I 2080011857 GYBLEQRLRVHVOY-ZDUSSCGKSA-N 456.324 4.805 10 10 JJCE CCOCCCN1C(=O)C(=C2C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2296710643 IWYWQCUZYJVXFM-UHFFFAOYSA-N 452.601 4.540 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(I)c1O 2297349784 NPXPGJSTJOMITF-UHFFFAOYSA-N 482.705 4.855 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 2314764584 GXNFNYKEAOJGSQ-UHFFFAOYSA-N 456.589 4.729 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NCc3ccccc3)C2=O)cc1 2314837531 UCKADIFNLHHOGU-UHFFFAOYSA-N 454.617 4.773 10 10 JJCE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15044671 LZTBXSFTWKODTC-JCMHNJIXSA-N 492.622 4.955 10 10 JJCE CCOc1cccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O 65298382 FWRKKPKDNYUGIT-JOCHJYFZSA-N 467.610 4.532 10 10 JJCE biogenic C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526402 ZUTQABWRGMXQJI-RVMZHNTDSA-N 485.923 4.592 10 10 JJCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1 109091484 BCNROOQMIBKSDZ-ZVHZXABRSA-N 468.488 4.649 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)CC1 226802452 OYRXBJKVYMHNBO-PQNGQFLHSA-N 453.564 4.842 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)[C@@H]2c2ccc(O)c(O)c2)c1OC 526165142 DHKMLNYMUFLSJH-XMMPIXPASA-N 470.481 4.720 10 10 JJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)SC1=S 1860826375 DXYRILOZVUWVEP-UDWIEESQSA-N 454.548 4.895 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc(C(F)(F)F)ccc3c2=O)N2CCCCC2)cc1 1866080800 OCAWJAGXJZTRDF-HSZRJFAPSA-N 486.538 4.570 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 1868664935 NCGANDCCMZYBKV-ACJNQYEBSA-N 489.660 4.595 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873169936 IOOZMTGTOLUROP-NBGIEHNGSA-N 476.665 4.684 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)[C@@H](C)c4ccccc4)c3)CC2)cc1 1874727202 LHJMCHVBVVETAF-QFIPXVFZSA-N 471.601 4.832 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4cccc(Cl)c4)c3)CC2)cc1 1874738450 OSXJKJUZWIMBJC-UHFFFAOYSA-N 478.976 4.963 10 10 JJCE COC(=O)c1ccc(NC=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)N=C2C(F)(F)F)cc1 2053542067 UQUNWYNORYLNHO-UHFFFAOYSA-N 473.329 4.633 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2cccc(Br)c2O)c1I 2079702730 UHDUFBPPYVXTDT-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 2295927481 UASFJWIUYFSMRX-UHFFFAOYSA-N 491.638 4.884 10 10 JJCE COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)CC2)cc1 11408962 ZLFGPULWTZMRTQ-UHFFFAOYSA-N 499.640 4.692 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 15039660 SYYJSOSWFGIATE-YVLHZVERSA-N 482.505 4.737 10 10 JJCE CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15047507 XSXZDRDCHFSWFL-SJWFJVLYSA-N 462.980 4.673 10 10 JJCE Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCC(N4CCCCC4)CC3)cc1)CCCC2 20532486 BKRAQBAHSYCEDB-UHFFFAOYSA-N 462.682 4.735 10 10 JJCE COC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)c2ccccc21 33384690 SNKWOJGHRSBURP-NVNXTCNLSA-N 472.284 4.628 10 10 JJCE COc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1O 34683577 IAMGDPPGNFQDBP-UHFFFAOYSA-N 452.501 4.990 10 10 JJCE Cc1nnc(Cc2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)o1 40324037 KXOSAEWYNVBFRI-UNOMPAQXSA-N 499.017 4.852 10 10 JJCE CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 205956446 BSMHGCXCIUYWRR-HAVVHWLPSA-N 470.485 4.909 10 10 JJCE COCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)SC1=S 213207997 NBLYVNJDWPUQLO-ZHZULCJRSA-N 495.626 4.650 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4C)o3)C2=O)cc1 1084576220 UQCNIDOYKGVPDD-XDHOZWIPSA-N 465.303 4.992 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCCc5ccccc54)c4ccccc34)[C@H]21 1860347401 NYIMEPJUGFOUMJ-LJAQVGFWSA-N 476.580 4.768 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2)sc(C)c1-c1ccc(OCC)cc1 1860748031 ICKDHADXJUPFCK-UHFFFAOYSA-N 452.532 4.876 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCNC2)sc(C)c1-c1ccc(Br)cc1 1865974065 PVHWJIDLOBCESP-CQSZACIVSA-N 451.386 4.601 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)N2CCCCC2)cc1 1866079068 YFLPOHOZGFHFMY-JOCHJYFZSA-N 486.538 4.570 10 10 JJCE COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C(C)=O)ccc3[nH]2)sc(C)c1-c1ccccc1 1866547219 HMMIYIKJRDQYOX-UHFFFAOYSA-N 460.511 4.807 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCC5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969384 XWZGAKPBHMTQBQ-UHFFFAOYSA-N 492.712 4.564 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1873169881 HCAJELTWUYWSEO-NTKDMRAZSA-N 463.622 4.769 10 10 JJCE Cc1sc([C@@H](CN)N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1Br 2194920294 ZZSKMUYLUDFAHK-QGZVFWFLSA-N 454.434 4.980 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccccc1Cl 2293308509 RICMTCKNTOGDEQ-LBPRGKRZSA-N 463.964 4.602 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(Cl)c(OCc4ccccc4[N+](=O)[O-])c(OC)c3)C(=O)N=C2S1 2293591330 YJLQNQTYEGADPJ-UHFFFAOYSA-N 499.936 4.865 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296731473 ZXFBHLWYMUVMAU-UHFFFAOYSA-N 481.599 4.887 10 10 JJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 2297559023 CGEDSRYMARBJFS-UHFFFAOYSA-N 471.296 4.892 10 10 JJCE O=C(NN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)c1ccc(Br)cc1 2314764888 OMZICHXYCBJQJF-UHFFFAOYSA-N 453.770 4.649 10 10 JJCE CCOC(=O)c1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(CC(C)C)C2=O)cc1 2331592468 NDRFFKJBWZNUIM-UHFFFAOYSA-N 498.626 4.738 10 10 JJCE COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 2098044 XYEHJHJZCLGVDG-WOJGMQOQSA-N 463.361 4.720 10 10 JJCE COc1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(N2CCOCC2)cc1OC 20496489 DUFCOCYQAWJFJZ-UHFFFAOYSA-N 486.524 4.566 10 10 JJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 47152270 PXZPIQNFNOEADY-RGEXLXHISA-N 499.570 4.693 10 10 JJCE CCn1c(/C=C\c2c[nH]c3ccc(OC)cc23)nc2ccc(I)cc2c1=O 97492696 DSEOBALXSWAHDH-WTKPLQERSA-N 471.298 4.681 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 213156310 YWOHPFKGXUUOHT-IGWPVBGESA-N 455.536 4.626 10 10 JJCE COc1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)c1 526145811 WPXQOGJCZSLZEF-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1cc(C2=C(O)C(=O)N(c3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526203613 IYJWZFKIVZWTDZ-OAQYLSRUSA-N 471.868 4.965 10 10 JJCE CCCC1=NN(Cc2cc(C)ccc2C)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665982 WVKXDFIPQKZGOK-XIEYBQDHSA-N 491.632 4.605 10 10 JJCE CC(=O)NCCn1cc(OCCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871259232 ZYPDLAGUSSZSGZ-UHFFFAOYSA-N 462.594 4.765 10 10 JJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)cc1 1873165654 SVGATVYBLGUSRS-UHFFFAOYSA-N 497.595 4.693 10 10 JJCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)c1 1873424437 PRLGHVFRTVXHBY-UHFFFAOYSA-N 456.546 4.653 10 10 JJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Oc4cccnc4)cc3)n2)c1 1892093708 SPVGYKHBQBILBF-UHFFFAOYSA-N 454.489 4.706 10 10 JJCE CN(C)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)cc1 2053622045 JPLQVZWJRAZXID-UHFFFAOYSA-N 491.585 4.974 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 2293763571 KUQNNBQXOVKGGI-UHFFFAOYSA-N 496.478 4.657 10 10 JJCE Cc1cc(C=C2SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(O)cc1 2293990233 JKPYQLLIAUFFCQ-UHFFFAOYSA-N 465.506 4.614 10 10 JJCE CCOc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCSC)C(=O)O)C3=O)o2)cc1 2314650508 KXLCWYMISCGVSP-INIZCTEOSA-N 463.602 4.753 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 2314935229 OBSTXQPPDONXFH-UHFFFAOYSA-N 463.964 4.998 10 10 JJCE Cc1ccc(CN[C@H]2C[C@@H](C(C)C)N(C(=O)OCc3ccccc3)C2)c(O)c1Br 2352686890 MOPDOEKDVXCPOD-PMACEKPBSA-N 461.400 4.988 10 10 JJCE COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OS(C)(=O)=O 3001022 MJMCRANTJZOGPE-OVCLIPMQSA-N 490.411 4.746 10 10 JJCE C[n+]1c(/C=C2/Sc3cc(Cl)ccc3N2CCCS(=O)(=O)O)sc2ccccc21 3639802 MIVHXVQPUBKLFA-UHFFFAOYSA-O 454.018 4.568 10 10 JJCE COc1cccc(OCCCn2cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c3ccccc32)c1 35339934 YCSWYGYYPAEXRE-FKSIKXIZSA-N 473.558 4.758 10 10 JJCE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)ccc2C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 54311044 FRJJQSWSEBJAEW-DEOSSOPVSA-N 486.678 4.559 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 100208187 AYTVSTNQRAOQFB-LDADJPATSA-N 457.280 4.625 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCOCC1 226846033 XIHDQSZIXUWARO-JLHGSKIFSA-N 465.402 4.841 10 10 JJCE CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)SC1=S 606671955 GXZOBTCNWJYOOO-GRSHGNNSSA-N 455.992 4.625 10 10 JJCE COc1ccc([C@H](C)Nc2cc(I)cc(I)c2)c(O)c1 690331937 DCTLZHKTZKNEEG-VIFPVBQESA-N 495.098 4.783 10 10 JJCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc21 1210039703 WRXHJVVMJPBLDT-GOSISDBHSA-N 456.608 4.776 10 10 JJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865036743 JHRCRWVAEJEHAS-DEOSSOPVSA-N 498.583 4.562 10 10 JJCE CCOC(=O)CC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1866121432 QDSCDIVNSBQKPP-UHFFFAOYSA-N 454.342 4.554 10 10 JJCE Cc1ccccc1-c1ccc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866477042 VXGOHIXHCOERLS-HHHXNRCGSA-N 491.595 4.822 10 10 JJCE CCCC[C@H](NC(=O)[C@H](CC)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868834422 CPEWZAGFLSQQNP-RPBOFIJWSA-N 486.056 4.866 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)c3ccccc3)CC2)cc1 1868843648 DQATVOZJGAAXLC-WDYNHAJCSA-N 499.655 4.950 10 10 JJCE CC[C@H](NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868947082 SIPMPQUFGACXIK-NVQXNPDNSA-N 483.628 4.598 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873165839 TXCMQUIJVLERPR-UHFFFAOYSA-N 493.611 4.825 10 10 JJCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873425750 FNIADZQVYJGPCP-UHFFFAOYSA-N 465.557 4.560 10 10 JJCE O=C(NOCCCNCc1cc(Cl)ccc1O)OCC1c2ccccc2-c2ccccc21 1928768089 QFBSCWQLEVPAME-UHFFFAOYSA-N 452.938 4.996 10 10 JJCE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(N)c2I)C(C)(C)C)c(O)c1 2079051531 GVNAOENFHPJMKG-CYBMUJFWSA-N 453.246 4.738 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(C)C)c(CO)c2I)C2(C)CC2)cc1C 2079959251 ZRTDEHDYVDJJOI-GOSISDBHSA-N 454.352 4.815 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2293239180 LQFLJDMXQYTALF-UHFFFAOYSA-N 452.511 4.688 10 10 JJCE CCc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1 2293358582 QURIOXGTVKPPHE-UHFFFAOYSA-N 484.552 4.990 10 10 JJCE COC(=O)c1ccc(CN2C(=O)SC(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)o1 2294244425 HENZCEBAFVYNGT-UHFFFAOYSA-N 487.873 4.914 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1ccccc1C(=O)O 2296879977 OEADTOPDPMWFTP-UHFFFAOYSA-N 454.573 4.785 10 10 JJCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 2297341905 INKBYUGUWKEXJF-UHFFFAOYSA-N 483.307 4.944 10 10 JJCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cn2cnnc2)cc1 2313682230 YEPZMWJOSXGLML-UHFFFAOYSA-N 457.563 4.825 10 10 JJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2314485841 DUMKZLJKWOBHTB-UHFFFAOYSA-N 482.505 4.563 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N(CCCCCC(=O)OC)C1=O 2314755072 QELRVJIPNSJEDE-UHFFFAOYSA-N 472.426 4.782 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1 4034727 BCZCGNDYTGJWHA-UHFFFAOYSA-N 484.600 4.579 10 10 JJCE O=C1/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1Cc1cccnc1 6456927 VFSBZYQOOSOXDF-CIAFOILYSA-N 463.540 4.970 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526301981 LETQODPLCGLUBY-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE COc1cc(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)c(N2CCOCC2)cc1OC 1084311938 ANQVWSZSSMQKSL-NTMALXAHSA-N 452.482 4.591 10 10 JJCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](c1ccco1)N(C)C 1705606270 ZABIRHOGHHYBNI-DEOSSOPVSA-N 456.594 4.708 10 10 JJCE Cc1ccc(CCCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860599698 CAUKPMNRLPOPKJ-UHFFFAOYSA-N 494.591 4.970 10 10 JJCE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC 1860759577 XKIADARUECNRNE-UHFFFAOYSA-N 481.014 4.815 10 10 JJCE COC(=O)c1c(NC(=O)CCc2ccc(=N)[nH]c2)sc(C)c1-c1ccc(Br)cc1 1866140234 MORKUGQGGRMQJD-UHFFFAOYSA-N 474.380 4.651 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](c5ccco5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869085950 NMOLQGOVSVWWBZ-DEOSSOPVSA-N 495.627 4.990 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(C3CC3)C2=O)cc1 1873162086 FWMCKWGQKMDXET-UHFFFAOYSA-N 464.569 4.650 10 10 JJCE Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873928572 ABQCLFOAFZIQAW-MHZLTWQESA-N 495.539 4.644 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)c(O)c2)C1 1952451977 DNOQIFSXMOHREZ-HXOBKFHXSA-N 459.498 4.885 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCc3ccco3)nc12 2053497828 QTSATHMGTJPCNV-UHFFFAOYSA-N 488.594 4.609 10 10 JJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(SCC)SC4=NC3=O)c2C)cc1 2297469344 NRILIDQFDCYABA-UHFFFAOYSA-N 453.593 4.823 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(OC)cc2OC)cc1 2313683219 UUFFJSMZPISKAJ-UHFFFAOYSA-N 488.500 4.758 10 10 JJCE O=C(O)c1cccc(CN2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)SC2=S)c1 2326974223 HECZVYAGCXCJSK-UHFFFAOYSA-N 484.780 4.908 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@H](NCc2cc(Br)ccc2O)[C@H]1C(F)(F)F 2370310785 UECAZVFWSIIVJP-ZFWWWQNUSA-N 453.299 4.575 10 10 JJCE CC(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14462884 COYULCCRYSQAME-PPJWLVRDSA-N 451.636 4.573 10 10 JJCE O=[N+]([O-])c1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14470746 NKTBKHHHPLFBEN-GSHUGGBRSA-N 459.955 4.859 10 10 JJCE Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 15037489 JZVJLKGMHXGSJF-ATVHPVEESA-N 461.406 4.988 10 10 JJCE COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 34367831 SJCPTYCZFADVBB-PFBJBMPXSA-N 479.532 4.726 10 10 JJCE biogenic COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 39836089 RPELVLVTBOMCAM-XDHOZWIPSA-N 481.599 4.661 10 10 JJCE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)C2CCCCC2)cc1 39920680 OLFRSYHUEUYZCU-OAQYLSRUSA-N 471.399 4.693 10 10 JJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990337 YYTMZEXYCPGNSQ-STZFKDTASA-N 496.658 4.813 10 10 JJCE Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)cc1 108678184 WWQVETIIAJPQLL-UHFFFAOYSA-N 458.558 4.909 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCc1ccccc1 212262054 MIYFRUKKNUXXEB-HAVVHWLPSA-N 490.606 4.863 10 10 JJCE COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)c1 245296713 OVUICZAXHUSKLW-UGKGYDQZSA-N 452.308 4.801 10 10 JJCE COc1ccc(N2CCN(C(=O)c3sc(COc4ccc(Cl)cc4)nc3C)CC2)cc1 248029651 LLNPJAOPIBNNEE-UHFFFAOYSA-N 457.983 4.655 10 10 JJCE CC(=O)c1cccc(OCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)c1 890142771 AWFUEIOVGSVSHW-UHFFFAOYSA-N 459.410 4.555 10 10 JJCE COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1858121751 PHNWHAIUGUSLGR-OAQYLSRUSA-N 486.435 4.785 10 10 JJCE O=C1c2ccccc2C(=O)c2c(Nc3ncnc4c3cnn4-c3ccc(Cl)cc3)cccc21 1859832703 HZFTUOXHFPSCMB-UHFFFAOYSA-N 451.873 4.988 10 10 JJCE O=C(Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1)c1ccc(F)c(F)c1 1860564074 ZYIYNELVMJGHQX-UHFFFAOYSA-N 483.430 4.640 10 10 JJCE CCCC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868997439 FDQUQKHPEVJZCG-CPJSRVTESA-N 486.056 4.866 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccccc3C)CC2)cc1 1870436014 GMRXMTNELUSRAM-UHFFFAOYSA-N 475.633 4.571 10 10 JJCE COCCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420074 IEEKUTHJLNEXMB-UHFFFAOYSA-N 465.500 4.601 10 10 JJCE Oc1ccc(Br)cc1Cn1nc(C2CC2)c(C2CC2)c1I 2079783148 IEQZTEWDYOZXBN-UHFFFAOYSA-N 459.125 4.759 10 10 JJCE COc1ccc(Br)c(CNCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1O 2220462481 MDEXDPGIHYMONX-UHFFFAOYSA-N 497.433 4.724 10 10 JJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1 2293261773 CZNMAGHCLHGNPP-UHFFFAOYSA-N 489.391 4.842 10 10 JJCE CCOc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1 2293328985 XZYAKFXTEBYSDC-UHFFFAOYSA-N 475.364 4.533 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3ccc(OC)c(Br)c3)SC2=S)cc1 2297349505 YMLQKSREMVLJRW-UHFFFAOYSA-N 450.379 4.868 10 10 JJCE COCCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)SC1=S 2297349744 WOQBEBFDTWUJOL-UHFFFAOYSA-N 451.411 4.704 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 2313541387 FJEAQVDKUVEUQK-UHFFFAOYSA-N 497.576 4.538 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 2314414768 LREAWYVCPWIHQQ-UHFFFAOYSA-N 488.679 4.623 10 10 JJCE COc1cc(C=C2SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)ccc1OCc1ccccc1 2323808673 KOWPWPVNNIYKLX-KRWDZBQOSA-N 489.640 4.682 10 10 JJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2508996 OTTHMJNOCHRXAL-FOCLMDBBSA-N 453.427 4.967 10 10 JJCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)NC(=O)CO2 11857617 UUTBHGPVGHULKJ-UHFFFAOYSA-N 470.359 4.557 10 10 JJCE COCCCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21 20696378 LBNVVMJNQACTNQ-YHEJKZAPSA-N 457.368 4.748 10 10 JJCE Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C\c4ccccc4)SC3=S)s2)c1 33333917 HSLDQFAYUIANNU-XDHOZWIPSA-N 465.625 4.882 10 10 JJCE CCCCCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310896 QEUIPJPNGNJTHX-VWLOTQADSA-N 486.678 4.931 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(C)n1-c1ccccc1 62694232 CZZKRKFMXYGHLJ-UHFFFAOYSA-N 453.945 4.527 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)ccc1O 210733802 OSAGBTATMDUCNS-HMMYKYKNSA-N 456.589 4.801 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)c1C 213165207 QHSGOCNTJOHRJT-PDGQHHTCSA-N 451.573 4.713 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(O)cc1O)N2)N1CCc2ccccc21 226781299 RVULWGKMUQNUID-GOHWNWGWSA-N 460.555 4.676 10 10 JJCE O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 247302772 FMSPLAWUEDYWOM-HHHXNRCGSA-N 483.524 4.810 10 10 JJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)c1 526391374 FQCIGDCAWKYKOQ-VWLOTQADSA-N 474.513 4.902 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1 1083956055 RCQZNFZFIRRBSP-WQRHYEAKSA-N 453.926 4.718 10 10 JJCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSC(C)C)[C@H](C)C1 1359384274 UFCFJFOJUWOORF-HXUWFJFHSA-N 480.682 4.551 10 10 JJCE CC(=O)c1cc(Cl)cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)c1O 1653578988 VBRXDIXAGNJKCT-UHFFFAOYSA-N 452.736 4.503 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)CC2)cc1 1860261933 KGFUJYHTUKDGLD-FQEVSTJZSA-N 484.552 4.585 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCC4=CCCCC4)c4ccccc34)[C@H]21 1860347471 QWBWXRKQWVTNGC-NDEPHWFRSA-N 468.601 4.795 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)N2CCCCC2)cc1 1866144858 BPEDDAGWOFRWKJ-DQEYMECFSA-N 455.046 4.718 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cccc(Cl)c3n2)N2CCCCC2)cc1 1866496416 XOTCYZIKXRCDQC-JOCHJYFZSA-N 452.986 4.617 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873168245 OAGDZNYMGOIOGI-UHFFFAOYSA-N 485.632 4.773 10 10 JJCE CC[C@H](C)N1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425129 VJNWDTARIVPJNX-INIZCTEOSA-N 457.530 4.813 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425714 CFUFEIIJXUKXJG-UHFFFAOYSA-N 485.975 4.905 10 10 JJCE CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 1874017796 WUNGHYODOMWEMC-MRXNPFEDSA-N 481.504 4.845 10 10 JJCE Cc1ccc([C@H](n2nc(C3(C)CC3)c(CO)c2I)C(C)(C)C)c(O)c1 2079023122 NNLKFWJWLWUIPF-KRWDZBQOSA-N 454.352 4.681 10 10 JJCE C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1CCNC(=O)OC(C)(C)C 2162995391 TUDXTCIDVNAKDZ-ZWKOTPCHSA-N 474.646 4.549 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2194925872 LNWOBMXIPSIOID-RVZGGCSKSA-N 464.654 4.672 10 10 JJCE Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 2297350197 PNWVWZWTPBMRFH-UHFFFAOYSA-N 491.887 4.802 10 10 JJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2ccc(O)cc2)cc1 2313682431 CGOIUGDICLYDJQ-UHFFFAOYSA-N 484.581 4.868 10 10 JJCE CCCCOc1ccc(Br)cc1C=C1SC(=S)N(CCCC(=O)O)C1=O 2314759646 FFGXBVWCRDOZHV-UHFFFAOYSA-N 458.399 4.694 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccc(C(C)C)cc1 11591641 PPAJDTMZWVWRJN-MUUNZHRXSA-N 471.557 4.630 10 10 JJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 15037785 IEOCSBZRDCLXDU-BOPFTXTBSA-N 466.506 4.944 10 10 JJCE O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 33417435 NWAHKQMDEOLGDA-PNGRCAFMSA-N 494.528 4.693 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3C(F)(F)F)c3ccco3)CC2)cc1 38598197 BUYGFRLCKFLTJY-QFIPXVFZSA-N 473.495 4.600 10 10 JJCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)ccc1Br 59109223 BMTSRJNKURULKP-NPBUNYCVSA-N 486.366 4.862 10 10 JJCE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)c1 59271045 NORLVMYTVDMAGX-HHHXNRCGSA-N 455.514 4.799 10 10 JJCE Cc1ccc2c(c1)c(/C=C1\C(=N)N3C=CSC3=NC1=O)c(C)n2Cc1ccc2c(c1)OCO2 103801872 HWRGWBDEMCWWEG-PLWGRFDCSA-N 456.527 4.812 10 10 JJCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc4ccccc4c2)N3)CC1 226843791 IZPQJUAHBMZNOS-FKCDAAJZSA-N 459.615 4.602 10 10 JJCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1705622900 YTFOHSQDKAAMEG-RBJSKKJNSA-N 475.637 4.786 10 10 JJCE CCC[C@@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867267204 AEWHOUHHMCJXCR-OAQYLSRUSA-N 483.549 4.609 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867964533 LKIGMIFOSBUNSK-RUZDIDTESA-N 487.648 4.529 10 10 JJCE COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2C)cc1 1874191242 FQQPWGNYHPEEOH-UHFFFAOYSA-N 494.573 4.761 10 10 JJCE CCOC(=O)CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2297465526 UJFWABHDALUNDF-UHFFFAOYSA-N 477.991 4.692 10 10 JJCE C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314837550 UGORLVKSXIRELN-JTQLQIEISA-N 453.372 4.927 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C)cc1OC 2332139296 QWATYUXBCZKVNP-UHFFFAOYSA-N 481.568 4.663 10 10 JJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2332144844 SHDRFZFJWITUOQ-UHFFFAOYSA-N 463.877 4.793 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1 4662503 IPMSAVAYZIAJRC-OEAKJJBVSA-N 499.523 4.607 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3ccc4c(SCc5ccc(F)cc5)nccc43)CC2)cc1 33298582 PPKOYHNOXNFERM-UHFFFAOYSA-N 490.604 4.825 10 10 JJCE CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)NC1=S 33315698 MLUKUIUWRINEGE-CXUHLZMHSA-N 481.799 4.768 10 10 JJCE COc1cc(C)ccc1OCCn1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 33330514 MMMMSNJZWLXFMM-HKWRFOASSA-N 463.465 4.530 10 10 JJCE COc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2cccc(OC)c2O)CC3)cc1 34755928 JIEGNAKFYHBURL-UHFFFAOYSA-N 490.604 4.786 10 10 JJCE COc1ccc(CCN2C(=O)/C(=C/c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 38732200 IAOJGDHBHWANLA-QJOMJCCJSA-N 491.638 4.524 10 10 JJCE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)cc(Cl)c4)c3[N+](=O)[O-])CC2)cc1 40587958 MGFXHHBYEYYGRG-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)ccc1Cl 59862589 ACISQXUBHHORAX-XMHGGMMESA-N 450.878 4.628 10 10 JJCE COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCc5ccccc5OC)cc34)CC2)cc1 65002017 BWOZRMKVHHKUQQ-UHFFFAOYSA-N 482.584 4.509 10 10 JJCE CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)n1 103985188 SYBRAXQQUDMXMT-LKNRODPVSA-N 477.528 4.519 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nc2c(s1)CCCC2 1860345258 YBEINOZGNDIBIH-UHFFFAOYSA-N 495.608 4.938 10 10 JJCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(C/C=C/c2ccccc2)CC1 1860484672 YIMNQRUGJQCYQS-DADYSPOESA-N 479.625 4.650 10 10 JJCE Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1C 1860588780 LGXCVYSBVCKBOK-UHFFFAOYSA-N 466.537 4.570 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)c3ccco3)CC2)sc(C)c1-c1ccc(C)cc1 1860627503 HSFRDHUETGZCFK-UHFFFAOYSA-N 466.559 4.902 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)sc(C)c1-c1ccc(C)cc1 1860652784 YUVOLVKUQBHJGK-SFHVURJKSA-N 466.559 4.902 10 10 JJCE CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866936486 KRJWLCFKPXQJGU-AKFKNWHVSA-N 484.527 4.628 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)Cc4ccc(F)cc4F)cc3)CC2)cc1 1874750765 SMTVFJAAKGOROJ-UHFFFAOYSA-N 493.554 4.550 10 10 JJCE Oc1c(Cn2nc(Cl)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079229972 MWXNPRYNZVUSBG-UHFFFAOYSA-N 470.538 4.933 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1 2296933442 MOPAYGUOPSWAPQ-UHFFFAOYSA-N 471.557 4.919 10 10 JJCE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 2313548954 JYIOCOYLGRXFKS-UHFFFAOYSA-N 490.943 4.632 10 10 JJCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2314414063 OPFMQJSXUJBFSR-UHFFFAOYSA-N 468.648 4.973 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 2314740255 DTDQPHLSVWOSCY-UHFFFAOYSA-N 471.600 4.737 10 10 JJCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccccc3)c(OC)c2)SC1=S 2323829820 YSOYFHFOHQEESA-VFNWGFHPSA-N 471.600 4.975 10 10 JJCE COc1ccc(OC)c(C=C2SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)c1 2323886729 PYLBNPNDYOPJIQ-HXUWFJFHSA-N 454.617 4.742 10 10 JJCE CCC1=NN(c2cccc3ccccc23)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106662 QSIGMCSXYQCOBJ-UHFFFAOYSA-N 485.584 4.756 10 10 JJCE CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1OC 2984262 YKHURMGWQNLHDZ-UKTHLTGXSA-N 477.286 4.892 10 10 JJCE Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2-c2ccc(F)cc2)cc1 11730793 CUHREJDBLQGGAI-UHFFFAOYSA-N 462.428 4.507 10 10 JJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 20729402 OMJBGBCJSAGEMW-UHFFFAOYSA-N 487.113 4.952 10 10 JJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)cc1 34982623 ODVWTYNMQJEVFQ-XMHGGMMESA-N 473.572 4.970 10 10 JJCE Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(O)c(Br)c2)C(O)=NC1=S 38186030 NRHYJGRRQMGMJR-XFFZJAGNSA-N 451.729 4.788 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 96481809 KJHDESSHBKXARO-NTUHNPAUSA-N 455.776 4.701 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 207318494 ONBRGUYNBPSCRI-CPNJWEJPSA-N 478.599 4.701 10 10 JJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526353145 FYDAFKJZKFBWEI-RUZDIDTESA-N 488.540 4.614 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC[C@H](c2nc(C3CCOCC3)no2)C1 575313834 QKGWSHQKYQBMSK-FQEVSTJZSA-N 462.594 4.593 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCCC2)sc(C)c1-c1ccc(Br)cc1 1860759371 YUIHYLMBOLFSMI-UHFFFAOYSA-N 479.396 4.660 10 10 JJCE CCCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1C 1860913230 NUZJXSHIYPSKKZ-UHFFFAOYSA-N 459.590 4.961 10 10 JJCE CC[C@H]1C[C@](CN)(N(C)c2ccc(CNC(=O)OC(C)(C)C)cc2)CN1Cc1ccccc1 1881515908 ZTNLFUMPUBVRDU-WNCULLNHSA-N 452.643 4.530 10 10 JJCE Cc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=O)c2I)c(O)c1 2079007391 SATHIJABPUENNN-IBGZPJMESA-N 450.320 4.971 10 10 JJCE C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2163089301 JPNGTDXSXQMSCM-QZTJIDSGSA-N 474.646 4.644 10 10 JJCE Cc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C(=O)NC1=S 2294229244 APPZCNUWDLUGJZ-UHFFFAOYSA-N 493.972 4.585 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 2296731431 WSFAGCMSXAAUBW-UHFFFAOYSA-N 451.573 4.878 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3OC)SC2=S)cc1Cl 2297366714 AXGTXGGUSCHYOJ-UHFFFAOYSA-N 451.953 4.780 10 10 JJCE COc1ccccc1NCN1C(=O)C(=Cc2cccc(I)c2)SC1=S 2297578564 XEWDOLOKIBCWRB-UHFFFAOYSA-N 482.368 4.571 10 10 JJCE COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2313578074 SQSGQVBMPRRGJH-UHFFFAOYSA-N 482.536 4.890 10 10 JJCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC(C)=Cc4ccccc4)SC3=S)C2=O)cc1 2314833064 OZIACEZHCGTTJS-FQEVSTJZSA-N 478.595 4.565 10 10 JJCE COc1ccccc1CN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323759355 OUWQGSKWNSSGJP-UHFFFAOYSA-N 466.378 4.573 10 10 JJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)C2=Cc2ccc3c(c2)OCCO3)cc1 2332127396 UJVZTXQJMWJTAP-UHFFFAOYSA-N 454.526 4.913 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)c(Br)cc1OC 6386908 JABLINDELBPREO-CAOOACKPSA-N 465.394 4.653 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCC(=O)Nc1ccc(C)cc1 33314308 ZRCCXDAVTQDGAM-HMAPJEAMSA-N 499.523 4.836 10 10 JJCE Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)o1 33315569 VLHPEUNBQPFLRF-WQRHYEAKSA-N 450.447 4.764 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 33377866 RDYPDWLPBWNRRG-NNLQFVHNSA-N 463.964 4.602 10 10 JJCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 83318200 HZHPORFTCPQSNR-XQNSMLJCSA-N 487.468 4.868 10 10 JJCE COc1ccccc1OCCCn1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)c2ccccc21 101398093 WSHVZQRZNWTVAD-IXNXYFIPSA-N 458.543 4.896 10 10 JJCE CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)SC1=S 915838568 GQBVRXHOALBJFV-WQRHYEAKSA-N 496.532 4.953 10 10 JJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 1084440943 URLUPILQPKYENZ-LDADJPATSA-N 476.356 4.926 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1O 1645927550 YOFVNXLTHQGVEB-XZOQPEGZSA-N 456.970 4.775 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)c1 1860087097 ZHLTYQUTNZPFFU-LICLKQGHSA-N 457.602 4.985 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)c2ccccc2)sc(C)c1-c1ccc(F)cc1 1860758120 BLMQTOCFCZUDBW-AWEZNQCLSA-N 454.523 4.855 10 10 JJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2C(F)(F)F)cc(OC)c1OC 1865668377 UHCATNJPJGTQAV-NVNXTCNLSA-N 454.832 4.710 10 10 JJCE CCOc1ncc(CCC(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cn1 1866260178 IDOXEKLFHOFXDT-UHFFFAOYSA-N 453.564 4.887 10 10 JJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873165319 HQGBIYXYJZPJJA-UHFFFAOYSA-N 471.601 4.617 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1 1873424753 VHKZXZXXWPLBIK-UHFFFAOYSA-N 498.627 4.779 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C(F)(F)F)c4)cnc3c2)c1 1873894458 LRBUYGWAXHNEMM-UHFFFAOYSA-N 452.436 4.723 10 10 JJCE COc1cc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952908817 DMTXSJHGTQAYOC-GBXCKJPGSA-N 475.497 4.503 10 10 JJCE CN[C@H](c1ccc(N(C)C)cc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2106848573 KFHDLTKXXLZDIR-SHQCIBLASA-N 453.627 4.857 10 10 JJCE CCCC1=NN2C(=N)C(=Cc3ccc(OC(=O)c4cccs4)c(OCC)c3)C(=O)N=C2S1 2293854789 PACRMFNMVIAEMZ-UHFFFAOYSA-N 468.560 4.785 10 10 JJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC 2296807961 DPXMJQMFEPBHRO-UHFFFAOYSA-N 462.287 4.505 10 10 JJCE COc1cc(C=C2C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 2297335473 HGIFMDJYVGCRAL-UHFFFAOYSA-N 468.538 4.942 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1=O 2314832539 JAFPCZCRYRQDOA-SFHVURJKSA-N 468.987 4.820 10 10 JJCE CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672252 IFJREOFSZGDKJA-FMQUCBEESA-N 473.019 4.885 10 10 JJCE COCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S 6581378 QIKYZWBXSNFHLX-WOJGMQOQSA-N 464.952 4.675 10 10 JJCE CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCC(=O)O)[C@@H]3c2ccc(N(C)C)cc2)cc1 8431619 FWVCPSHQUCTEGN-CGWDAWFJSA-N 474.605 4.806 10 10 JJCE O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2 14548256 BOOGIWHRPRVMLW-KXNBQGJDSA-N 476.598 4.829 10 10 JJCE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)c(C)c1 33436673 XUESJTCSIIZZDO-XDHOZWIPSA-N 464.474 4.852 10 10 JJCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 33536136 UBRBYNOFOAWILM-ULJHMMPZSA-N 451.526 4.623 10 10 JJCE COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(N(C)C)cc1 72413148 WYNQKIUZHDIVFU-XMMPIXPASA-N 491.975 4.984 10 10 JJCE CN(C)c1ccc(/C=C\CN2CCC[C@H](c3ccnc(SCCN4CCCC4)n3)C2)cc1 209165911 PWKMTMZADXNRPM-DADDIACRSA-N 451.684 4.623 10 10 JJCE O=C(Nc1nccs1)/C(Cc1ccccc1)=C1\SC(=S)N(Cc2ccccc2)C1=O 211947689 OGODIYMLZZTXEC-ZCXUNETKSA-N 451.598 4.639 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861963231 QUUYAUSQXOYUMW-LJQANCHMSA-N 496.822 4.609 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)N2CCCCC2)cc1 1865975810 NITBBWOWEQLUDP-QHCPKHFHSA-N 469.427 4.953 10 10 JJCE CCOc1ncc(/C=C/C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cn1 1866256826 GTSBFZAXCMIBIA-CSKARUKUSA-N 451.548 4.968 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@@H]2C)n1 1868387220 VSEGHDGZNOGXAJ-IRXDYDNUSA-N 456.546 4.562 10 10 JJCE CCc1c(C2(C)CC2)nn(Cc2ccc(Br)cc2O)c1I 2079698440 ORUOIYQUYWYBCY-UHFFFAOYSA-N 461.141 4.618 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1Cl 2296132761 ITOUXNIEULJBPP-UHFFFAOYSA-N 454.313 4.818 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H](C)CC)C1=O 2296846640 JTSBVYHRDGBGKZ-INIZCTEOSA-N 458.653 4.629 10 10 JJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Br 2313549280 RPMIVDILZXXWQZ-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 2313683606 IJRBJLJZACDXQK-UHFFFAOYSA-N 486.484 4.527 10 10 JJCE COc1cc(OC)c(OC)cc1C=C1C(=O)N(Cc2c(F)cccc2Cl)N=C1C(F)(F)F 2332141259 PUEIPQNIPSDDFU-UHFFFAOYSA-N 472.822 4.849 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 8766304 OWJRJINUCZBDGR-VBKFSLOCSA-N 460.650 4.665 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)ccc1O 15039522 VHWFEFABQWWMKT-UYRXBGFRSA-N 460.552 4.550 10 10 JJCE Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Br)c1 33774483 DFMZZFBSWMLJRC-UJNQTBGZSA-N 455.337 4.585 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33807200 SOCQNKUMFRKKTL-DEDYPNTBSA-N 478.643 4.925 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3OC)CC2)cc1 104673379 ONOXXLCBPAIUKA-UHFFFAOYSA-N 468.557 4.519 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 210698731 ORLHHJIYJLZWSZ-DEDYPNTBSA-N 479.583 4.575 10 10 JJCE O=C1N2CCC[C@H]2COc2ccccc2CCCCC12CCN(Cc1cccc(F)c1O)CC2 1615072846 KXIIPCZLIIPPQQ-QHCPKHFHSA-N 466.597 4.910 10 10 JJCE Cc1ccc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c(Br)c1 1860721140 INMJJOMXRFIPSK-UHFFFAOYSA-N 462.569 4.607 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)N2CCCCC2)cc1 1865858962 BGOZWVCSEYOXRB-OAQYLSRUSA-N 464.393 4.715 10 10 JJCE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865933189 ZTMRCVDQTKMLDQ-JLTOFOAXSA-N 491.817 4.575 10 10 JJCE CCCCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(OC)cc1 1869969617 GTKUITNHIWMGRO-UHFFFAOYSA-N 492.624 4.520 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873164402 ZZQCNHFZLLUZSR-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE COc1ccc(O)c([C@H](C)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1942704102 MCYYSAPEHMCOAP-SFHVURJKSA-N 462.546 4.912 10 10 JJCE COc1cc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952908821 DMTXSJHGTQAYOC-HYBUGGRVSA-N 475.497 4.503 10 10 JJCE N=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 2297366141 YTVKFHBEVDLHAC-UHFFFAOYSA-N 463.500 4.778 10 10 JJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2297511500 REOYEQVTPPESDE-UHFFFAOYSA-N 460.559 4.823 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314400489 NPZHLVFHSPVHBP-UHFFFAOYSA-N 497.667 4.782 10 10 JJCE Cc1ccc(O)c(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2314935224 NWWCRHDGELXUHP-UHFFFAOYSA-N 464.515 4.532 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 1239538 DKCHGTLMMWWRBC-BGBJRWHRSA-N 452.557 4.561 10 10 JJCE O=C(COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O)Nc1nccs1 35519779 JOFYLVRIIOGFAG-ATVHPVEESA-N 459.618 4.695 10 10 JJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nc2ccc(Cl)cc2s1 39874990 ARUHFQITWPHWCU-CHHVJCJISA-N 463.968 4.929 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(F)cc2)SC1=S 40066513 NPUCQRAOPYYBQE-GNKPEBMXSA-N 484.622 4.799 10 10 JJCE CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 101114145 AFAGTWTZANKSKE-JJIBRWJFSA-N 474.586 4.500 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526328474 OPLXXTATIZPOOG-RUZDIDTESA-N 460.530 4.836 10 10 JJCE Cc1cc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1 1858130864 QHNUPFYRPVESCI-IZZDOVSWSA-N 454.496 4.870 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(/C=C2\C(=O)N(CCC)N=C2c2ccccc2)cc1OC 1865675658 UAINFUCHRWDCAN-NKFKGCMQSA-N 477.605 4.763 10 10 JJCE CCCCCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870843905 BLNSMTSKRKARPQ-NRFANRHFSA-N 493.604 4.697 10 10 JJCE COCCCN1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420762 VFGAUZFEZJCHTN-UHFFFAOYSA-N 463.965 4.976 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c1 2040467086 WKNQMCNESOHQQU-UHFFFAOYSA-N 493.610 4.922 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@H](N=[N+]=[N-])C2)c1 2124514218 WASNJXLZLOQHDN-ZDUSSCGKSA-N 471.299 4.553 10 10 JJCE COc1ccc(CCNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1OC 2296662532 KPPGJGKZRVPBNQ-UHFFFAOYSA-N 490.507 4.685 10 10 JJCE COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2)cc1 2297708839 WPIDOOFPPOSFJL-UHFFFAOYSA-N 476.558 4.523 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314827295 AYJIETBSOYBBQT-UHFFFAOYSA-N 474.991 4.747 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 2331393764 OSTQXTNFWIWBEL-UHFFFAOYSA-N 494.599 4.563 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)/C=C\c1ccc(OC)cc1 33431554 SDOWANXAPLSQJB-KYASWKSUSA-N 455.557 4.544 10 10 JJCE Cc1ccc2nc(NC3CCCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33781651 DQSVYWLVNRHJPG-UDWIEESQSA-N 494.617 4.898 10 10 JJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCC(C)C 40939824 DYUCQTUMWDESFM-XSFVSMFZSA-N 456.589 4.666 10 10 JJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 205691644 QXWWXOOTFMVFAC-OIXOFKMYSA-N 453.545 4.771 10 10 JJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(Cl)cc(Cl)cc3c2=O)N2CCCCC2)cc1 1866079638 FBKVFKVRGXAGGJ-JOCHJYFZSA-N 487.431 4.858 10 10 JJCE CCOCCCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166390 OFUVWUYNLGISQB-UHFFFAOYSA-N 471.601 4.699 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427453 NYXQXXJPMZDUKE-UHFFFAOYSA-N 472.564 4.519 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1874179069 LIQFXHZYERQSMF-UHFFFAOYSA-N 456.498 4.739 10 10 JJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079879262 AGJFRUADJGPKLH-OAHLLOKOSA-N 494.276 4.562 10 10 JJCE Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 2293127106 IEUVGZHICIDPOM-UHFFFAOYSA-N 465.509 4.695 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O 2297561522 ILYPKYRVMFKRTH-UHFFFAOYSA-N 480.361 4.688 10 10 JJCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1 2314476141 JKDDZTBOAWPIPD-OAQYLSRUSA-N 477.611 4.928 10 10 JJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=S 2314769356 PDFAFNXXPFGBNX-NRFANRHFSA-N 471.600 4.990 10 10 JJCE Cc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314828985 XUYABSXPHYYMFV-UHFFFAOYSA-N 477.405 4.693 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 2323719292 FHYYMFSIYZSPSN-UHFFFAOYSA-N 450.925 4.537 10 10 JJCE CCOc1ccc(CCN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1OCC 2323770230 NNJVNFFVMGEXPW-UHFFFAOYSA-N 458.561 4.836 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 2509032 PERMIENVUHUEGE-WUKNDPDISA-N 459.390 4.587 10 10 JJCE O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9310261 PARJOEUMSPUNBF-NTEUORMPSA-N 468.297 4.605 10 10 JJCE COc1ccc(I)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 33458322 IUAADDZNZUGYJM-GDNBJRDFSA-N 453.326 4.706 10 10 JJCE COc1cc(NC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)ccc1NS(C)(=O)=O 71969655 WPAFZKKNEYYIAY-UHFFFAOYSA-N 455.580 4.850 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 210745142 MXXSMQKCSVZHFE-XDJHFCHBSA-N 472.588 4.857 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526331319 MBYVNZSBPZTMDU-XMMPIXPASA-N 460.486 4.512 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1OC 526612555 XFHAIDDNQNNTDW-VWLOTQADSA-N 475.497 4.765 10 10 JJCE CCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862118873 WJEGZCUVOOIQNS-NDEPHWFRSA-N 485.628 5.000 10 10 JJCE CCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168494 XEKBTANABLVKEJ-UHFFFAOYSA-N 473.621 4.631 10 10 JJCE Cc1nc2c3c(F)cccc3nn2c(C)c1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016571 GQBUTZPUMBBUEX-UHFFFAOYSA-N 492.510 4.985 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1F 2053494377 SEYKVBKYECIZQZ-IRXDYDNUSA-N 492.576 4.767 10 10 JJCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)C[C@]2(C)C1 2172908330 FDPUUEQNPDEQOS-ZQGRQUNCSA-N 459.812 4.933 10 10 JJCE COc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(C=C2SC(=S)NC2=O)c1 2297358931 VUHRRTVITBEPDA-UHFFFAOYSA-N 455.479 4.661 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 2314533298 QAVDKULPBXHOIG-UHFFFAOYSA-N 466.496 4.888 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCC(=O)O 2314934441 HVNAYNIYIOOKTL-HNNXBMFYSA-N 457.573 4.901 10 10 JJCE C[C@@H](C(=O)Nc1ccccc1)n1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945241 WKERKOUKJFYKJG-INIZCTEOSA-N 493.610 4.907 10 10 JJCE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 2365635468 HHAOTGPZGUCYDL-SFHVURJKSA-N 474.646 4.788 10 10 JJCE CC[C@H](NCCC12CC(I)(C1)C2)c1cc(Br)ccc1O 2381624698 KNJWUBJMFARRGN-JEYLPNPQSA-N 450.158 4.943 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 20236340 OWCMUQVNTPNHNB-WNDUKTEYSA-N 482.334 4.795 10 10 JJCE CCN(CC)c1ccc(/C=C/C(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 20241358 GBKLQKWGEDATFZ-AXEPABHCSA-N 454.703 4.637 10 10 JJCE Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)S3)CC2)c1 33335069 RZZMWCVDFHODRY-KQWNVCNZSA-N 474.542 4.956 10 10 JJCE CCCCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33474101 DRONYHRWFUOGPU-RGEXLXHISA-N 482.631 4.990 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3OCc3c(C)noc3C)CC2)cc1 248135976 MWEXCTAUVMLFND-UHFFFAOYSA-N 471.557 4.995 10 10 JJCE C/C(=C/c1ccccc1)CN(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1458970118 WIVHLTBJUIAGHN-NJGMCBKPSA-N 454.592 4.979 10 10 JJCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccnc(SCC)c1 1705574960 UDGRSGJWSGVTIC-UHFFFAOYSA-N 480.641 4.981 10 10 JJCE CC[C@H](C)OC(=O)[C@H](C)n1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827094 RHYYKQRHKSGEGW-PTKRALEFSA-N 474.604 4.610 10 10 JJCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n(C)n3)c2)c1 1860835246 ZEULNXQCSCVFHU-UHFFFAOYSA-N 457.509 4.797 10 10 JJCE COc1ccc(C2=NN(Cc3ccccc3F)C(=O)/C2=C/c2cc(OC)c(OC)cc2OC)cc1 1865678368 IVELWKPUDMZSRW-FYJGNVAPSA-N 476.504 4.690 10 10 JJCE CCCCc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OCC)CCC4)CC2=O)cc1 1865922544 SUZVJLWLVDTFDO-KRWDZBQOSA-N 454.592 4.748 10 10 JJCE CC(=O)c1sc(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)nc1C 1871287859 XKDNATYOBXOKAU-RQZCQDPDSA-N 489.644 4.529 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873166519 RIWMSPGOOZWDRM-GKVQRAMASA-N 461.606 4.521 10 10 JJCE Cc1ccc(C)c(CN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166672 VVMGOFDKIJLZKZ-AREMUKBSSA-N 483.612 4.760 10 10 JJCE COc1ccc(N2CCN(S(=O)(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 1892115795 JWEAOAOTPVROJN-UHFFFAOYSA-N 476.520 4.892 10 10 JJCE CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCCCOc2ccc(Cl)cc2)SC1=S 2293603160 ZEWILKWLEOTJHV-UHFFFAOYSA-N 464.952 4.927 10 10 JJCE O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296664628 RWBSKTKSSIZQDB-NSHDSACASA-N 474.412 4.642 10 10 JJCE COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2297309745 HKTIBXCXDAULSH-UHFFFAOYSA-N 496.563 4.885 10 10 JJCE CCCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OCC 2297625054 PCWZZZVVPXTOCU-UHFFFAOYSA-N 451.519 4.760 10 10 JJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2313564897 DUQVPODSFDFNRE-UHFFFAOYSA-N 486.778 4.725 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1OCC 2321585800 ODHGNQNSTVSYCU-UHFFFAOYSA-N 457.573 4.907 10 10 JJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1ccc(Cl)cc1 2332141225 LNXLOFJCUCBFSO-UHFFFAOYSA-N 475.888 4.850 10 10 JJCE COc1cccc(NC[C@@H](O)Cn2cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c3ccccc32)c1 13571962 SDVRLQGTPDLGTB-XPQMWKTPSA-N 480.568 4.929 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 16455637 YRCPCOMMPPZUPA-XMMPIXPASA-N 471.891 4.676 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 33377225 CUJGYEUOKXIGCH-LDADJPATSA-N 462.980 4.684 10 10 JJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1N1CCOCC1 35518834 GYAZKWOYGSRICR-XSFVSMFZSA-N 483.018 4.641 10 10 JJCE CCCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 38732828 ICHHTQMDCOBGGZ-QNGOZBTKSA-N 482.675 4.636 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(I)c1O 96624521 XKMLVNBBHSLHJJ-YBEGLDIGSA-N 497.379 4.797 10 10 JJCE COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)cc2OC)cc1 102464646 YRCQRGCFZYOMNS-FEGZGKEQSA-N 479.558 4.719 10 10 JJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 207317908 COSGMMKADKQPKK-YBFXNURJSA-N 494.573 4.594 10 10 JJCE CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)cc2)CC1 731131512 LTGRXZBVFDDREX-UHFFFAOYSA-N 483.918 4.772 10 10 JJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864013816 GXLGZTMIOSXKME-PGRDOPGGSA-N 484.641 4.827 10 10 JJCE Cc1cc(C)c2oc(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(C)c2c1 1866297362 DWBNLZBAQWTEQI-XMMPIXPASA-N 461.606 4.741 10 10 JJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1873164838 VCANNVUPRGVYTG-UHFFFAOYSA-N 464.654 4.686 10 10 JJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1OC 1873168644 CZQVOGBLDKOOSI-UHFFFAOYSA-N 499.611 4.924 10 10 JJCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1cccc(OC(F)(F)F)c1)c1ccccn21 1873976684 YNCZCWMPHCXESG-UHFFFAOYSA-N 450.372 4.866 10 10 JJCE CC1(c2nn(Cc3c(O)cccc3Br)c(I)c2C2CC2)CC1 2079798248 ZQMXYHQAOGBOBM-UHFFFAOYSA-N 473.152 4.933 10 10 JJCE CN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCCC2)cc1 2163151082 DAYGDYZLLWIHSZ-AREMUKBSSA-N 466.670 4.964 10 10 JJCE C[C@@H](NC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1O 2192611337 MTAGIIHYNMPDJG-GFCCVEGCSA-N 482.318 4.835 10 10 JJCE COC(=O)C=C1SC(N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=NC1=O 2296887573 WMJBPIRHGNRHCD-RDPSFJRHSA-N 457.555 4.969 10 10 JJCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2297460325 IAEDBDFSQGSMBZ-CALCHBBNSA-N 482.675 4.629 10 10 JJCE Cc1c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 2313558246 WNCSPZJAZOFRLU-UHFFFAOYSA-N 498.470 4.712 10 10 JJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NC2CC(C)(C)NC(C)(C)C2)cc1 2313683403 ZCSPWXDVKAQKQU-UHFFFAOYSA-N 491.592 4.527 10 10 JJCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCCc1ccccc1 2314760453 KFDSFKHNQKPKEC-UHFFFAOYSA-N 471.600 4.773 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1 2314828443 UOVUDKSFRKABDX-UHFFFAOYSA-N 467.797 4.942 10 10 JJCE C[C@H](Oc1cccc(C=C2SC(=S)N(CCCCCCCCCC(=O)O)C2=O)c1)C(=O)O 2314926705 PXDOMRDNWGIFCG-INIZCTEOSA-N 479.620 4.945 10 10 JJCE COc1cccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)c1 2331594823 FDXSTYDWDNRDTI-UHFFFAOYSA-N 456.589 4.570 10 10 JJCE COc1ccc(C2(CCCN3CCN(c4ccccc4OC)CC3)C(=O)c3ccccc3C2=O)cc1 3624554 JMQWXLHJZLBFBW-UHFFFAOYSA-N 484.596 4.623 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8634677 WRSVJGSHMXNRIU-XMMPIXPASA-N 453.901 4.537 10 10 JJCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ncccn5)CC4)cc(NC4CCCCC4)c1c23 9641720 FPAFNOXRHBMNKY-UHFFFAOYSA-N 480.572 4.900 10 10 JJCE O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccco2)CC1 10912998 NWRFKBUOBCJSKE-SANMLTNESA-N 454.526 4.896 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2CC=C[C@H]32)CC1 14467584 WANRWBHBCTWJKT-ZWWNWMABSA-N 458.389 4.913 10 10 JJCE O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 20706511 FWUMVHNYNMJDQU-PMECCGAFSA-N 453.926 4.984 10 10 JJCE CCCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OCC 33457346 PCWZZZVVPXTOCU-RCCKNPSSSA-N 451.519 4.760 10 10 JJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(NC3CCCCC3)nc12 33490831 MLUFGLSCHJYVHP-LDADJPATSA-N 456.637 4.605 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3cc(Cl)ccc3OC)C2=O)ccc1OCc1ccccc1F 33559774 RAABIAMQRYSJIH-WQRHYEAKSA-N 482.895 4.537 10 10 JJCE O=C1/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 33718035 YXPYDVXQFMQCJR-LDADJPATSA-N 479.514 4.620 10 10 JJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)c1 33764775 HYPQDDSKLZNQMD-XMHGGMMESA-N 463.584 4.939 10 10 JJCE CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36411318 AEULIVPVIDOLIN-UHFFFAOYSA-N 477.572 4.727 10 10 JJCE in-man CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCOC)C2=O)cc1 39835931 HFRWQAJZMGGDDI-HMMYKYKNSA-N 495.626 4.595 10 10 JJCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 64929023 NJNIAHMGIZVEFN-XMMPIXPASA-N 457.622 4.831 10 10 JJCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1cccc(OC)c1)c1ccccc1 65080302 LUBXFXCFADZNIE-UHFFFAOYSA-N 455.514 4.947 10 10 JJCE CCOc1c(Cl)cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1OC 71933426 GZYXERZNYWCDRM-QPJJXVBHSA-N 498.929 4.932 10 10 JJCE CC1CCN(c2nc3ccccc3cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 208281559 VZMYPJRFROAEAU-KNGGAZFVSA-N 453.633 4.851 10 10 JJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)N[C@@H]5CCC[C@H](C)[C@H]5C)c(C)c34)CC2)cc1 245295386 DPGJJPPBJPHDTF-NJNPRVFISA-N 493.677 4.889 10 10 JJCE CCCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526290172 SKZPBADMYJNXSS-VWLOTQADSA-N 477.513 4.961 10 10 JJCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)sc(C)c1-c1ccccc1 1860630926 MXYXWFZNBDMPKL-UHFFFAOYSA-N 468.497 4.640 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=S)NC)C2)sc(C)c1-c1ccc(Cl)cc1 1860667699 IXKDXPJCDTUFRY-HNNXBMFYSA-N 480.055 4.708 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2OC)sc(C)c1-c1ccc(OCC)cc1 1860762699 OMZNACIPEDAJKD-UHFFFAOYSA-N 496.585 4.562 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)CCc2cccc(Br)c2)N2CCCCC2)cc1 1866123987 NYQCWZWXZNXZCL-QHCPKHFHSA-N 458.444 4.791 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)C(=O)N(Cc3ccco3)C2=O)cc1 1873418793 ANMVNOFXNQTWFH-UHFFFAOYSA-N 482.496 4.988 10 10 JJCE CCN(CC)CCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425916 PMOOZUNJRKUBCU-UHFFFAOYSA-N 470.617 4.936 10 10 JJCE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080002933 FUPAGNCWNXQQBY-GOSISDBHSA-N 465.379 4.710 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(C(=O)O)c2I)C2(C)CC2)c(O)c1 2080021855 BGAWMUZSHTXLGX-QGZVFWFLSA-N 482.318 4.557 10 10 JJCE CCOC(=O)COc1ccc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 2294746213 GIZLNUVBPXQVEI-UHFFFAOYSA-N 457.573 4.660 10 10 JJCE N=C1C(=Cc2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 2296070822 WDZNJXXMLCTKEF-UHFFFAOYSA-N 483.553 4.597 10 10 JJCE Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296546112 NZCAHWYENQNORT-UHFFFAOYSA-N 453.614 4.764 10 10 JJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 2297296526 VLLJADUTEVNBEK-UHFFFAOYSA-N 457.269 4.501 10 10 JJCE O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1cccc2ccccc12 2314835281 CSPCWZUTHIBAQC-UHFFFAOYSA-N 454.960 5.000 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)cc(OC)c1OC 1252660 URQRUCWBBXUHDB-WOJGMQOQSA-N 493.006 4.596 10 10 JJCE CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2 13639532 BQQGDZHWSLUCAG-YZIHRLCOSA-N 462.571 4.745 10 10 JJCE COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OCCC(C)C 33602445 CBTFWSDQRPHMLQ-BOPFTXTBSA-N 453.451 4.535 10 10 JJCE COc1cc(OC)c(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1Br 34848648 PGQHQMBOYRPTCV-NVNXTCNLSA-N 459.296 4.590 10 10 JJCE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 40940508 GXNFNYKEAOJGSQ-ZHZULCJRSA-N 456.589 4.729 10 10 JJCE CCCCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586189402 GXNFGKJCHGGGGV-UHFFFAOYSA-N 478.526 4.507 10 10 JJCE COc1cc(Br)cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 642884224 CPEWOPGLNWXDMV-NRFANRHFSA-N 498.329 4.828 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867948062 CXOMPPHGYOELLV-JOCHJYFZSA-N 457.622 4.639 10 10 JJCE COC(=O)COc1cn(CCCOC(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874948 IUVMULIFIOTYKB-UHFFFAOYSA-N 479.577 4.571 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4ccc(Cl)c(Cl)c4)ncc3[N+](=O)[O-])CC2)cc1 1871302308 LRUGVJSKLNXXPA-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873165951 XPIZTWFQIRMZFL-UHFFFAOYSA-N 474.649 4.606 10 10 JJCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1 2293163927 ULPBZRWUXKZVSS-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 2294124658 QUQOSPGGXGTUHV-UHFFFAOYSA-N 472.501 4.540 10 10 JJCE CC[C@H]1CCCCN1C(=O)CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2295934307 ZWLJICFFQRRKDS-INIZCTEOSA-N 467.454 4.832 10 10 JJCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC 2296024800 FLLBIQGXPKEVNO-UHFFFAOYSA-N 483.398 4.947 10 10 JJCE COc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)N(C)C3=O)cc2OC)cc1 2297335269 UNHFIRKALPGYMU-UHFFFAOYSA-N 465.980 4.646 10 10 JJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 2297347402 BNBZUFJRCBPRKP-UHFFFAOYSA-N 467.909 4.647 10 10 JJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C 2297453073 UTIUIRXSTHKGLO-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 2313565103 RPBBGWQFWHIYNJ-UHFFFAOYSA-N 470.710 4.560 10 10 JJCE COC(=O)c1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 2313683671 PVGNVSNLEJSHIL-UHFFFAOYSA-N 471.513 4.627 10 10 JJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)cc2c1 2314648152 RAWXVLQDKCVLET-LJQANCHMSA-N 453.633 4.914 10 10 JJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)ccc1OC(C)C 2314769177 ONADPJYKOOFYQR-NRFANRHFSA-N 471.600 4.988 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314831854 UCHSAQZROBDBOA-UHFFFAOYSA-N 486.615 4.810 10 10 JJCE CCCCc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 2314933144 UFZDMPRZLNNDEN-UHFFFAOYSA-N 457.573 4.907 10 10 JJCE O=[N+]([O-])c1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14470748 NKTBKHHHPLFBEN-JKSBSHDWSA-N 459.955 4.859 10 10 JJCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)cc1 15040454 CHRFRNGJSBKMFJ-MNDPQUGUSA-N 476.664 4.727 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 20236878 DEPXXDNZXXNCCB-PDBBVDDMSA-N 482.880 4.676 10 10 JJCE CCCC1=NN2C(=N)/C(=C/c3cc([N+](=O)[O-])ccc3OCCOc3ccc(C)cc3)C(=O)N=C2S1 27533825 WYGOGUQNBXAVQL-ZQFCNSAKSA-N 493.545 4.780 10 10 JJCE CCOC(=O)COc1c(/C=C2/SC(=S)N(c3c(C)cccc3CC)C2=O)cccc1OC 33313228 JMJAWKPZQAKDEI-CPNJWEJPSA-N 471.600 4.914 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 33436476 COOCSPBMPYAJRR-IHRLJDSVSA-N 480.521 4.719 10 10 JJCE Cc1ccc(CN2C(=O)/C(=C/c3cc4ccccc4nc3N3CCOCC3)SC2=S)cc1 40562459 YFHYLXVNGOYGDW-JCMHNJIXSA-N 461.612 4.781 10 10 JJCE Cc1ccccc1C1=NN2C(=N)/C(=C\c3c(C)nn(-c4ccccc4)c3Cl)C(=O)N=C2S1 103562113 FIHRUGHZFNVWJR-LSZLNTRYSA-N 460.950 4.810 10 10 JJCE CCn1c(NCc2ccccc2)c(/C=C2/SC(=S)N(CCC(C)C)C2=O)c(C)c(C#N)c1=O 208271222 VPMJXXNEVBGUMM-FYJGNVAPSA-N 480.659 4.908 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526301259 BVZZNSRBYVZIFJ-JOCHJYFZSA-N 453.878 4.826 10 10 JJCE CCCCc1cc(=O)oc2c(CN(CCCOC)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 1614472788 JDSTWRDZSUZODG-DHLKQENFSA-N 470.654 4.944 10 10 JJCE CCOCCCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169979 JXDZVZYCAKNZHK-CYFREDJKSA-N 463.622 4.769 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4cccc(F)c4)c4ccccc34)[C@H]21 1873859788 CXDVZENTCQRPOF-MHZLTWQESA-N 468.532 4.956 10 10 JJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3)ncnc21 1875213402 NXJRCBKZFHFZKB-UHFFFAOYSA-N 498.631 4.815 10 10 JJCE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(N2CCOCC2)cc1 1951365473 MLRZUVOOLNRAOL-SANMLTNESA-N 472.541 4.578 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])cc1I 2225801154 SBGCXSQWHNTUDQ-KBPBESRZSA-N 471.299 4.599 10 10 JJCE CCCC[C@H](NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330393403 AMDZNMXTZITHMO-MHZLTWQESA-N 477.649 4.856 10 10 JJCE Cc1ccc(CN(C)C(=O)CCCCCNC(=O)OCc2ccccc2)c(O)c1Br 2381136223 CBHDNUGSLGLOKW-UHFFFAOYSA-N 477.399 4.908 10 10 JJCE CC[n+]1c(/C=C2\C=Cc3ccc(C)cc3N2CCCS(=O)(=O)O)sc2cc(C)ccc21 3656544 LDTPUVVPGZIUKZ-UHFFFAOYSA-O 455.625 4.978 10 10 JJCE C[C@@H]1CCCN(c2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)C1 9642100 LBVBYSDBNFAUMO-QGZVFWFLSA-N 459.546 4.619 10 10 JJCE O=C(NN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S)c1ccc(OCc2ccccc2)cc1 16905864 UBRXIMALMRPWKP-KGENOOAVSA-N 490.562 4.510 10 10 JJCE COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccccc3F)CC2)cc1 20289456 YTKBPGLHBHYEMG-UUOWRZLLSA-N 453.583 4.578 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(Nc3ccccc3C(N)=O)=NC2=O)cc1 39869850 SVJMFTGPZYQKGL-HAHDFKILSA-N 495.564 4.729 10 10 JJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2/C=C2\SC(=S)N(CC)C2=O)CC1 40562586 OQCHZAXZAWDBOH-ZHZULCJRSA-N 469.632 4.544 10 10 JJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 47133648 WDPJXYROXSEBBO-UYRXBGFRSA-N 478.599 4.892 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)Nc1cccc(C(F)(F)F)c1 210696550 AADJTMQCOHJQFA-MHWRWJLKSA-N 452.479 4.641 10 10 JJCE CC(C)C(=O)Nc1ccc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526565732 CUMULLUHUVEHEG-QHCPKHFHSA-N 462.477 4.889 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4nc5c(s4)CCCC5)c4ccccc34)[C@@H]21 1860347472 QXMSMGHPGKOGNH-AREMUKBSSA-N 497.624 4.762 10 10 JJCE CCCC[C@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846404 SOKNLCPXXXZFOD-RRPNLBNLSA-N 479.665 4.767 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(C3CC3)C2=O)cc1 1873161997 ATRJVDIVSDGTGL-UHFFFAOYSA-N 494.639 4.591 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418766 ZHLRERVRBGLSQF-UHFFFAOYSA-N 478.552 4.890 10 10 JJCE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)cc1C 2080053680 KCBADMVJHGJOMR-AWEZNQCLSA-N 468.257 4.567 10 10 JJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 2296565738 QPBIJCIODGKORW-UHFFFAOYSA-N 455.239 4.515 10 10 JJCE CN(C)c1ccc(C=C2SC(=O)N(C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2=O)cc1 2297285932 JZADFPFBJZYURE-FQEVSTJZSA-N 471.582 4.958 10 10 JJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 2297336642 PTCXBOYCAOYOSI-UHFFFAOYSA-N 462.889 4.594 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nccs1 2314486267 JATUPSHMATVVNB-UHFFFAOYSA-N 459.618 4.695 10 10 JJCE CCc1nnc(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(Cc3ccccc3)C2=O)s1 2314487199 FHXITSVWPCLRRR-UHFFFAOYSA-N 480.640 4.596 10 10 JJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)C2=Cc2cc(OC)c(O)c(OC)c2)cc1 2332147397 ARNNIDOPDFRYJD-UHFFFAOYSA-N 464.905 4.906 10 10 JJCE CCOc1c(Br)cc(/C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1OC 6386843 MFCXXBHDHQVCHS-CXUHLZMHSA-N 465.394 4.653 10 10 JJCE O=[N+]([O-])c1cc(Cl)c(/N=N/c2ccc(N(CCO)CCO)cc2Cl)c(Br)c1 31319265 WZYPIHOBHDXNJL-QZQOTICOSA-N 478.130 4.871 10 10 JJCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 33332226 BKXDHZIOKFSSPS-SSOZYACPSA-N 452.511 4.688 10 10 JJCE COc1cc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc(Cl)c1OC 206133350 SKZGAZRRTPYWNS-ZDKIGPTLSA-N 458.986 4.644 10 10 JJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526561353 HPQNBIMBQKEZDN-HSZRJFAPSA-N 495.915 4.612 10 10 JJCE Cc1cc(CCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 798116002 IOGFTUNRIDZWMN-UHFFFAOYSA-N 462.571 4.634 10 10 JJCE Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)o1 1084331589 LJWHNJINZCOKPY-ZHZULCJRSA-N 479.330 4.722 10 10 JJCE CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(C)C)C1 1301678639 PVIHKVBSCYMGQO-QHCPKHFHSA-N 462.642 4.703 10 10 JJCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705546316 HZGHCBXBIYHMJQ-FQEVSTJZSA-N 490.652 4.925 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3ccc4cc(OCc5ccccc5)ccc43)CC2)cc1 1860225321 DFKOICFUPUSCGR-UHFFFAOYSA-N 455.558 4.578 10 10 JJCE CCCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258813 MWBPSYWYJFSWLO-QFIPXVFZSA-N 478.420 4.639 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1-c1ccc(C)cc1 1866041061 VBVFIBKYUFSPFM-SFHVURJKSA-N 478.570 4.819 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986078 OCXIAIYDIFYQHW-HXUWFJFHSA-N 461.585 4.854 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2cc(O)ccc2O)C1 1952448593 MFAMTAGBLQSKBM-FYSMJZIKSA-N 459.498 4.885 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(CO)c2I)C2(C)CC2)cc1C 2080053826 LDMJIXHZNFFAIY-HNNXBMFYSA-N 480.268 4.711 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](O)c3ccc(Br)s3)cc2)CC1 2286067027 CKGXVACWUIHUAX-GOSISDBHSA-N 453.402 4.649 10 10 JJCE CC1=NN2C(=N)C(=Cc3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1 2293175872 RYNKHWGIOUQSII-UHFFFAOYSA-N 457.559 4.976 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296543574 NKSINOVBGOHTIM-KRWDZBQOSA-N 478.643 4.923 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2296727093 PMEPCZYVNJEKKK-OAQYLSRUSA-N 477.611 4.928 10 10 JJCE Cc1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1Cl 2297617160 APKYSAKUXLQUFN-UHFFFAOYSA-N 457.269 4.721 10 10 JJCE O=C(O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314767407 GGYSJGCKRAVHGU-NRFANRHFSA-N 486.574 4.631 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 2314769622 SXCLPLLLAAGVTE-UHFFFAOYSA-N 451.928 4.734 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCC(=O)NCc3nc(-c4ccccc4)cs3)C2=O)cc1 2314913687 WGGOIOIVEPMJHY-UHFFFAOYSA-N 495.651 4.726 10 10 JJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c1 2314930558 FWDQBTKVDZLQMU-UHFFFAOYSA-N 464.362 4.708 10 10 JJCE COc1ccc(N2C(=O)C(=Cc3ccccc3Br)SC2=S)cc1[N+](=O)[O-] 2321630832 ZXLOFNOYMMYEDN-UHFFFAOYSA-N 451.323 4.772 10 10 JJCE CCN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 2509051 HQQAJWIHMDDMHM-FOCLMDBBSA-N 451.411 4.720 10 10 JJCE C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2ccccc2O)SC1=S 15046609 QRPCENGFJDULML-WIWNTQSISA-N 452.479 4.639 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccccc12 97595327 IFIZZTTWTBDAPK-DEDYPNTBSA-N 470.019 4.772 10 10 JJCE COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)ccc1Cl 103422972 UKJZAMBWHCZOTQ-LDADJPATSA-N 464.861 4.891 10 10 JJCE O=C(Nc1cccc(C(=O)NCc2ccco2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586699023 JQJBUICMNWRMMG-UHFFFAOYSA-N 465.465 4.629 10 10 JJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CC[C@H](C(C)(C)C)C2 1866047318 CFKNRNVEHCVWNK-ROUUACIJSA-N 468.619 4.673 10 10 JJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2C1=O 1873744706 SVTALBWTIWZKRM-UHFFFAOYSA-N 483.568 4.701 10 10 JJCE COc1cc([C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1951961399 HLJLOQHFJWECAQ-OAQYLSRUSA-N 463.486 4.551 10 10 JJCE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 1963192025 UGFHVVLQTKOJRZ-DWXRJYCRSA-N 458.558 4.962 10 10 JJCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079063364 GVXDZYVJRTYGFS-AWEZNQCLSA-N 476.261 4.615 10 10 JJCE CCCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl 2296727549 LXZZSANKBLZNSX-HNNXBMFYSA-N 467.827 4.509 10 10 JJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2296846474 PYXSJVMEKWLIHG-UHFFFAOYSA-N 482.631 4.624 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NC3CCC(C)CC3)nc12 2314414723 KBOAZWOHTBAVMQ-UHFFFAOYSA-N 456.637 4.603 10 10 JJCE COc1ccc(CN2C(=O)C(=Cc3cc4cccc(C)c4nc3N3CCOCC3)SC2=S)cc1 2314648356 XNCABKPYYCKXFE-UHFFFAOYSA-N 491.638 4.790 10 10 JJCE CCN(CC)c1ccc(C=c2sc3nc(C(c4ccccc4)c4ccccc4)nn3c2=O)cc1 2326147595 XCELJZRGXYYPGL-UHFFFAOYSA-N 466.610 4.725 10 10 JJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)N=C2CC)cc1OC 2332139190 FMWLNDRYULTQHE-UHFFFAOYSA-N 463.578 4.919 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15044711 VMVGTYNSINOLMZ-FXBPSFAMSA-N 498.626 4.831 10 10 JJCE O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CC(=O)N1CCCc2ccccc21 33323830 LTLSLYYNQXRVOE-LDADJPATSA-N 473.417 4.630 10 10 JJCE CCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868705366 IZJXRVUYCMTTBW-CLJLJLNGSA-N 483.628 4.598 10 10 JJCE Cc1ccc(C)c(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873169192 DJSHNZTWLMYTPO-UHFFFAOYSA-N 498.671 4.922 10 10 JJCE CCCCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421867 VGTPWRPWBCYVDU-UHFFFAOYSA-N 498.627 4.923 10 10 JJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cc(Cl)ccc3C)n4C)CC2)cc1 1873650816 XHIAADNVPVLMHB-UHFFFAOYSA-N 490.995 4.518 10 10 JJCE O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cc(F)c(Br)cc3F)n2)c1 1892137174 WRALLYFRBORGPS-UHFFFAOYSA-N 476.280 4.560 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079986120 RJVIMJNTHHRPQG-GOSISDBHSA-N 484.334 4.501 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C(=Cc3ccccc3Cl)O4)CC2)cc1 2297384246 GZBODQKODDUPOK-UHFFFAOYSA-N 489.959 4.683 10 10 JJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(Br)s1 2313576030 SSWZBENAFNMVBG-UHFFFAOYSA-N 462.177 4.649 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314413839 IYSCAPSKLVKXQJ-ARWYELJZSA-N 470.664 4.993 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(O)c(OCC)c2)SC1=S 2314768204 JWMBNZOIUXFOQL-HXUWFJFHSA-N 457.573 4.687 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)Nc1nccs1 15037031 DKLONDCUUCGPCE-PDGQHHTCSA-N 467.597 4.562 10 10 JJCE CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1OCC 33383129 KQLDTTUIDNGALF-LFIBNONCSA-N 475.364 4.918 10 10 JJCE COc1ccc(I)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 33457956 BZPBZDJKIUGZMC-YBEGLDIGSA-N 467.353 4.701 10 10 JJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCCC)C1=O 33470595 HJXOSPIEDJKKJG-NBVRZTHBSA-N 458.653 4.996 10 10 JJCE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OCC)c2)SC1=S 40939042 SUHBGSAGFDLQFV-RGEXLXHISA-N 451.610 4.807 10 10 JJCE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 102470097 QTOOKILXHFGIAG-DHTRNYPVSA-N 457.471 4.717 10 10 JJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 102995119 USTDIIXFVQLJRU-COYFKBPASA-N 451.573 4.795 10 10 JJCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 103705134 XLUSPGAHNJQNFO-NGLHLPICSA-N 485.949 4.592 10 10 JJCE COc1ccc(N2CCC(NC(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1 110473327 NMIZCRWTJXYPMK-UHFFFAOYSA-N 486.538 4.844 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526633513 ULRUZTLTIBFXDG-DEOSSOPVSA-N 493.512 4.580 10 10 JJCE COc1ccc(-c2csc(NS(=O)(=O)c3cc(Br)ccc3F)n2)cc1OC 727241810 HGQCYBXCDRJMAY-UHFFFAOYSA-N 473.345 4.530 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(F)cc1 1084226739 ZHJXTTXPWXTBOG-BKUYFWCQSA-N 478.451 4.609 10 10 JJCE CCC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866613719 HOXAGQWFYWLZGU-VWLOTQADSA-N 491.547 4.790 10 10 JJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869969492 DCFYOAOVLKVWDI-UHFFFAOYSA-N 488.979 4.508 10 10 JJCE CC[C@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873167909 CJQHIWSSESKHLR-SFHVURJKSA-N 481.600 4.681 10 10 JJCE CN(C)Cc1cc([C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 1952213940 ODNKOENGAHZKGN-VWLOTQADSA-N 474.557 4.898 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080052040 HUXVPUPYSCHENC-KRWDZBQOSA-N 451.361 4.833 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCCc1c[nH]c2ccccc12 2296885514 YLMNXHHDSBZAQA-UHFFFAOYSA-N 467.591 4.647 10 10 JJCE CC1=CC2=NC(=O)C(=Cc3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=N)N2O1 2297347552 HGMNKFQNXIRLAX-UHFFFAOYSA-N 451.910 4.865 10 10 JJCE COc1ccc2nc(NC(=O)CCN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)sc2c1 2314563193 VSPRAAKJRCHHLK-UHFFFAOYSA-N 473.576 4.674 10 10 JJCE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 2314764600 HLFWFRCNYHDIIK-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)c1O 2332124654 ANMMXSQVOHJFSW-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE CN1CCN(C(=O)c2cccc3c2N[C@H](c2ccc(Br)cc2)[C@@H]2CC=C[C@H]32)CC1 13639061 KLXMIGAOBRGBSZ-NNMXDRDESA-N 452.396 4.663 10 10 JJCE CCCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl 39868895 QTCNJNVAELEMEC-IBGZPJMESA-N 499.460 4.678 10 10 JJCE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990416 SXFZNJCRMKVVAO-DEFALTHMSA-N 472.680 4.674 10 10 JJCE CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 101113008 BPETZQLKIJFGAE-XSFVSMFZSA-N 455.356 4.650 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 504208066 PYCQOOQIHFELCV-SODQHWRNSA-N 496.563 4.877 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c1 1860073505 LPRSCQCNNVDWCZ-LNKIKWGQSA-N 454.312 4.796 10 10 JJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(C1CCCCC1)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865025936 FWWXPHGZGFOZBV-DEOSSOPVSA-N 494.636 4.811 10 10 JJCE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1 1866968347 INWRDKJDHYBZAY-HSZRJFAPSA-N 486.543 4.874 10 10 JJCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(Cl)cc3C)cc1C2=O 1873906920 XVYZVVWEQDKLPD-UHFFFAOYSA-N 491.883 4.527 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4sccc4C)cc3)CC2)cc1 1874752227 SWYSSYAKBJWBFX-UHFFFAOYSA-N 463.603 4.712 10 10 JJCE CCN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc2c(c1)CCCN2C 2163142787 HXCSTMFPOPXBKS-RUZDIDTESA-N 466.670 4.747 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 2296716183 FXPAQVKUNMCVAK-INIZCTEOSA-N 494.642 4.623 10 10 JJCE N=C1C(=Cc2cccn2Cc2ccccc2Cl)C(=O)N=C2SC(c3ccccc3F)=NN12 2297498737 XRDFDTKRBCNVJW-UHFFFAOYSA-N 463.925 4.996 10 10 JJCE CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(Br)ccc2O)[C@@H]1C(F)(F)F 2370310784 UECAZVFWSIIVJP-UKRRQHHQSA-N 453.299 4.575 10 10 JJCE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CC(C)C)C2=O)c2ccccc21 2533385 YDMJGYFMTPZMBO-LSDHQDQOSA-N 479.627 4.516 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33529812 JBJMPAQIILVTNY-UNOMPAQXSA-N 480.615 4.742 10 10 JJCE COc1cccc2c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3nc12 90554976 QBWXVWKICSIUFA-UHFFFAOYSA-N 457.515 4.731 10 10 JJCE Cc1cc(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 389277047 PMJJYPJFCQVGFY-UHFFFAOYSA-N 472.630 4.602 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526159280 WHMNPGRCYYFERN-AREMUKBSSA-N 488.540 4.598 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 1638586951 FTYSVOZPTWYVEU-UHFFFAOYSA-N 459.615 4.577 10 10 JJCE CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)cc2)CC1 1638588004 WGWZQPIGQCCJRS-UHFFFAOYSA-N 455.602 4.616 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)sc(C)c1-c1ccc(F)cc1 1860747125 VVAQLGVUAMTMPU-UHFFFAOYSA-N 489.456 4.664 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864021107 KJQBUHNMHHANRS-GCJKJVERSA-N 484.641 4.682 10 10 JJCE CC(C)(C)C1=NN(c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)C(=O)C1 1866183166 FKKYNCNFNBLHEI-UHFFFAOYSA-N 465.509 4.853 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(Cc2ccccc2F)cc1OCCO 1870792988 KUDDXOFBDLZMQT-UHFFFAOYSA-N 459.521 4.763 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(F)c(F)c4)c3)CC2)cc1 1874736093 AGRIBHDTBNGBMK-UHFFFAOYSA-N 480.511 4.588 10 10 JJCE O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(Br)c(C(F)(F)F)c1 1891610927 YUAWROINTNURKK-UHFFFAOYSA-N 453.261 4.985 10 10 JJCE CCN1CCc2cc([C@H](C[C@@H](COCc3ccccc3)NC(=O)OC(C)(C)C)NC)ccc21 2106860271 RAAMXTBGANLGTG-ZEQRLZLVSA-N 453.627 4.830 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1(C)C 2163079007 LVCNIUJXBQKUHU-KRWDZBQOSA-N 474.646 4.549 10 10 JJCE CN1CCCc2cc([C@H](N)[C@@]3(COCc4ccccc4)CCN(C(=O)OC(C)(C)C)C3)ccc21 2163155666 ZBEUGNULRMIUIE-LSYYVWMOSA-N 465.638 4.913 10 10 JJCE CC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1NC(=O)OC(C)(C)C 2163168351 YDOCXQNPWYOMLE-UWJYYQICSA-N 474.646 4.692 10 10 JJCE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)c1 2180963748 ZLBVAVHJOCYXEQ-CQSZACIVSA-N 485.326 4.943 10 10 JJCE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2296885549 ZMWXYRSRVVPNIH-UHFFFAOYSA-N 473.982 4.521 10 10 JJCE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 2297365717 XNCNOCXXMMGGHR-UHFFFAOYSA-N 485.565 4.530 10 10 JJCE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 2314457891 LYCKJXVKPYUXDZ-UHFFFAOYSA-N 450.589 4.562 10 10 JJCE O=C(O)CNc1cc(N2CCC(c3ccccc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 3742061 GLIJYPJRCSQJDZ-UHFFFAOYSA-N 453.498 4.920 10 10 JJCE COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)Cc3ccc(F)cc3)CC2)cc1 20289515 UTXOTSVKKNOUMG-NIYFSFCBSA-N 467.610 4.507 10 10 JJCE O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[C@@H]2C=CC[C@H]21 20713105 YNHQZLFRQWIPIO-KHCICDEESA-N 453.564 4.986 10 10 JJCE Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1ccccc1O)N2 20898551 VEJNMDKXTSDDMI-XMMPIXPASA-N 478.552 4.532 10 10 JJCE O=C1N=C(O)/C(=C\c2cccc(OCc3cccc(F)c3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 33436819 SVUZBBFFRCJWGS-CIAFOILYSA-N 461.405 4.820 10 10 JJCE COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=S)cc1 33682878 XTHKFXOJLPYEAD-AQTBWJFISA-N 456.545 4.649 10 10 JJCE Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 33748502 HIBYQIFIUAKZIZ-XKZIYDEJSA-N 462.527 4.794 10 10 JJCE O=C(CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 210696347 DZVXQLKNGQKPPY-MHWRWJLKSA-N 481.477 4.844 10 10 JJCE CC(=O)N1CCN(c2ccc(NC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)CC1 1643121782 LFEKEPWKFCJXSX-UHFFFAOYSA-N 450.970 4.668 10 10 JJCE COC(=O)c1c(NC(=O)C2CCN(C(=O)C(C)C)CC2)sc(C)c1-c1ccc(C)c(C)c1 1860626088 LZHZKGKRYOICAA-UHFFFAOYSA-N 456.608 4.960 10 10 JJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1cccc(Br)c1 1860715139 BHGUQNAEPGREHO-UHFFFAOYSA-N 462.569 4.689 10 10 JJCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCCCCCC1)=C(N)O2 1864019624 NVQLJHUQPSWPBP-HSZRJFAPSA-N 496.652 4.878 10 10 JJCE COc1ccc(-c2ncccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1866165784 RNNOZDHDEORNNL-AREMUKBSSA-N 458.606 4.780 10 10 JJCE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866979285 ITZXCPUNLLWPFA-ILBGXUMGSA-N 498.579 4.744 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)CC2)cc1 1872884331 RMHAKXNEQAUYFA-UHFFFAOYSA-N 464.009 4.643 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424513 OVRAACURPGIICX-MRXNPFEDSA-N 453.546 4.961 10 10 JJCE Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cnn(C3CCCC3)c2n1 1874179523 IILYUPSKXJMBNY-UHFFFAOYSA-N 450.498 4.883 10 10 JJCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@]1(CN)CC[C@H]1OCc1ccccc1 1881311900 ZLXUDFAQFQJGDX-SHQCIBLASA-N 451.611 4.541 10 10 JJCE CC(C)(C)OC(=O)N1Cc2[nH]c(=NCc3cc(Cl)cc(Br)c3O)sc2C1 1898926528 FJLGAGLDJQKBKS-UHFFFAOYSA-N 460.781 4.549 10 10 JJCE Cc1ccc(CN(C)C(=O)CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(O)c1Br 1905173361 KPSATQYYNGJFFG-UHFFFAOYSA-N 477.399 4.859 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](c2cc(Cl)cc(Br)c2O)C1 1952539567 WBHOKCHVOUOCBW-DYVFJYSZSA-N 468.731 4.983 10 10 JJCE Cc1ccc(O)c([C@@H](C)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2084896174 FGKBQGIFXKXTJC-QGZVFWFLSA-N 451.608 4.549 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 2296879915 KBLRHTXDIOHZOV-UHFFFAOYSA-N 484.599 4.794 10 10 JJCE CCOc1ccc(-n2cccc2C=C2C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 2297346840 MKINIZQZHYFFTR-UHFFFAOYSA-N 461.572 4.799 10 10 JJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313562567 XFVWJHMTPQFTTC-UHFFFAOYSA-N 498.322 4.766 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139851 ZWXNOLLZDFDUQP-UHFFFAOYSA-N 477.605 4.833 10 10 JJCE COc1ccc(N2CCN(CCCNC(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)cc1 8596956 MNVYPRJPBSRLRX-UHFFFAOYSA-N 488.657 4.707 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc(O)cc1 15037929 WSVIRGWSXQFABD-GDNBJRDFSA-N 453.372 4.929 10 10 JJCE O=C(O)CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 210413238 YXGLSJQNQSHADY-YBEGLDIGSA-N 453.463 4.965 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526331892 XKFGANDXDUFAIY-RUZDIDTESA-N 457.530 4.777 10 10 JJCE O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 726706455 MBSJQZUHUPORFK-FQEVSTJZSA-N 481.597 4.518 10 10 JJCE CCCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1OCC 1858594196 PGTGHLDTLPYTJE-CQHJRZBDSA-N 471.600 4.771 10 10 JJCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596520 VMFFXTODRQJALS-SFRKJPKJSA-N 464.790 4.509 10 10 JJCE Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860550523 FTWGUIQCUJVVAV-UHFFFAOYSA-N 461.477 4.670 10 10 JJCE CN(C)c1ccc([C@H](NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c2nccn2C)cc1 1865998045 SDFADZYNVSXICO-YAYTYNBKSA-N 466.585 4.984 10 10 JJCE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CC2)C1=O 1873422172 JSRRZXANQMGQJB-UHFFFAOYSA-N 469.541 4.625 10 10 JJCE Oc1cc(Cl)ccc1CNc1cc(I)cc(I)c1 1963623836 FBAFCWJWZMRCDM-UHFFFAOYSA-N 485.490 4.867 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 2296849568 USTDIIXFVQLJRU-HNNXBMFYSA-N 451.573 4.795 10 10 JJCE CC1=NN2C(=N)C(=Cc3cccc(OCCOc4ccc(Cl)c(C)c4)c3)C(=O)N=C2S1 2297310408 RQEZRUIVLCNDQR-UHFFFAOYSA-N 454.939 4.745 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c(C)c1 2297461071 RCNSDYVGNIIRBP-UHFFFAOYSA-N 453.539 4.718 10 10 JJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Br 2313548790 FXCDXEYUTMJCMN-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 2314754119 LBUOCXPVJZRORJ-UHFFFAOYSA-N 460.621 4.830 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2ccc(OCCc3ccccc3)c(OCC)c2)SC1=S 2314760787 LJRYWRSECHEMQK-UHFFFAOYSA-N 485.627 4.861 10 10 JJCE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1OCC 2314769671 UBGLIDPTPHTTRW-UHFFFAOYSA-N 488.425 4.703 10 10 JJCE COc1ccc(OCCN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2323719683 RRSYNHJKOCRISW-UHFFFAOYSA-N 468.369 4.877 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)c1O 2332124734 KEFAAXBCRAJMQM-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 640864 NRBRBYVBOMTWGN-KGENOOAVSA-N 463.331 4.798 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCN(C)C)C2=O)ccc1OCc1ccccc1Cl 9634112 ZHRYXBRJFQCGMF-MOSHPQCFSA-N 463.024 4.690 10 10 JJCE CCCCN1C(=O)/C(=C2/SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21 39983443 WEHFQIGMDVWKPF-GTVMRRANSA-N 453.427 4.966 10 10 JJCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1cccc(OC)c1O)N2 48990328 QRAUGIWTKGCTKL-HXUWFJFHSA-N 457.958 4.527 10 10 JJCE biogenic N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 102469078 PVJPSHJTGBKLEF-NONNEFQTSA-N 467.304 4.970 10 10 JJCE CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 208467119 YTCUEIZCPOUVTI-ZHZULCJRSA-N 456.454 4.948 10 10 JJCE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 719961415 ISOQEWAAHKXZTP-JOCHJYFZSA-N 464.654 4.910 10 10 JJCE COc1ccc(C)cc1C1(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCOCC1 731048862 UKAROAGCWFVMTI-UHFFFAOYSA-N 465.638 4.788 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 1084238409 IFSHEZYKCAIHAB-ODLFYWEKSA-N 480.879 4.733 10 10 JJCE COc1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347187 AWJFPXLMQPUNKK-MUUNZHRXSA-N 480.568 4.826 10 10 JJCE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)N=C2CC)ccc1OCC(=O)N(CC)CC 1865677647 VMRQRQJOJMLUAI-CJLVFECKSA-N 463.578 4.524 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)sc2c1CCC2 1865925979 WJTOMCGLUSXIQA-QGZVFWFLSA-N 454.592 4.530 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCOC(C)C)C2=O)cc1 1873419792 AJKYHKCIEBTCNL-UHFFFAOYSA-N 461.537 4.850 10 10 JJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Br)c(C(F)(F)F)c1 1891739662 BHIBBTNBPONYHD-HOCLYGCPSA-N 489.357 4.935 10 10 JJCE COc1cc(Cl)cc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1952249277 FXCDPNZEGPEYBD-VWLOTQADSA-N 467.905 4.893 10 10 JJCE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2296441601 RDUVWTFQUMZLIG-UHFFFAOYSA-N 469.975 4.869 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 2314539398 RPKUAYQQYBDWFI-UHFFFAOYSA-N 496.478 4.657 10 10 JJCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)SC1=S 2323809168 GJBMZWBWMIHSKY-HNNXBMFYSA-N 454.356 4.596 10 10 JJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 33424354 XVAFATWNNWXQMC-DHTRNYPVSA-N 463.519 4.983 10 10 JJCE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 33662149 QTDIQHOOMAIMOT-OTGIAGGSSA-N 477.991 4.690 10 10 JJCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)c3ccco3)CC2)cc1 38598195 KACNIVAAZFBVMI-QFIPXVFZSA-N 473.495 4.600 10 10 JJCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210751112 VMVGTYNSINOLMZ-HEHNFIMWSA-N 498.626 4.831 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(F)c(F)c3F)[C@@H]2c2ccc(O)c(O)c2)c1OC 526618052 AHXORNIAGPXCAW-OAQYLSRUSA-N 473.403 4.590 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526633488 UDKKNWYUOGIEJM-RUZDIDTESA-N 490.556 4.844 10 10 JJCE CC1=CC=NC2=N/C(=C(\O)N=NC(=O)c3ccc(COc4ccc5ccccc5c4)cc3)NN12 606346767 RNPBIISDUYWHKO-HOLXPGINSA-N 452.474 4.860 10 10 JJCE COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 1084389347 WHPULDFZXMIURM-CFRMEGHHSA-N 456.542 4.829 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)sc(C)c1-c1ccc(F)cc1 1860746786 DRVSUWOUXOXFBZ-UHFFFAOYSA-N 468.506 4.819 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(F)ccc2F)sc(C)c1-c1ccc(F)cc1 1860746836 HBFXZCFXDVCYMO-UHFFFAOYSA-N 462.449 4.895 10 10 JJCE Cc1ccc(Cl)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866510756 JYHCTRRSDYOQCO-JOCHJYFZSA-N 467.013 4.513 10 10 JJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)OCC2(C)C)n1 1868386765 HCOTWDMTLAIMNU-QGZVFWFLSA-N 470.573 4.952 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccccc3C)CC2)cc1 1870610232 WOHUCLRGZBPOIW-UHFFFAOYSA-N 487.644 4.881 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(Cl)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873170781 QFJKRSKAWUTBSI-UHFFFAOYSA-N 491.035 4.569 10 10 JJCE CCCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421414 WGZPLKTWDWRHKG-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccc(Cl)cc1 1873938101 RBHLZQRIIUBRCX-UHFFFAOYSA-N 496.998 4.977 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079988105 ZXHCEWCDIWKEJM-IBGZPJMESA-N 498.361 4.892 10 10 JJCE COc1ccc([C@H](n2nc(C3CCC3)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2080022488 KYPQKIKLUGGNHX-KRWDZBQOSA-N 484.334 4.803 10 10 JJCE CN[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(N2CCCC2)cc1 2106862637 WXDCEVVYCODXOA-RUZDIDTESA-N 452.643 4.574 10 10 JJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296705140 VYTGRRSHBWQMPG-MRXNPFEDSA-N 494.642 4.623 10 10 JJCE CCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2296715338 PGSFBDVNVJXDBB-UHFFFAOYSA-N 453.614 4.847 10 10 JJCE Cc1ccc(-c2nc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)n(-c3ccccc3)n2)cc1 2297456253 AYSWWDMQSNLJSG-LJQANCHMSA-N 462.600 4.623 10 10 JJCE Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)o2)ccc1Br 2313549098 MZTQOAAMTVDUCJ-UHFFFAOYSA-N 451.276 4.684 10 10 JJCE CN(C)c1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 2313556557 DDIMNGQZWKGPQL-UHFFFAOYSA-N 469.328 4.517 10 10 JJCE CCCCOc1ccc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 2314741367 XUMDATBBIQDZNM-UHFFFAOYSA-N 463.621 4.951 10 10 JJCE COc1ccccc1C=C1SC(=S)N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1=O 2314836489 FZRCDQRGHHUMLN-LBPRGKRZSA-N 466.506 4.942 10 10 JJCE Cc1ccc(CNC(=O)c2scc(Br)c2Br)c(O)c1Br 2381132356 ZZJOFRCOXAGFAJ-UHFFFAOYSA-N 484.007 4.980 10 10 JJCE Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)S3)CC2)cc1 1074022 CESUGNHAYFGNMZ-KQWNVCNZSA-N 474.542 4.956 10 10 JJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)ccc1O 15043686 OSAGBTATMDUCNS-HKWRFOASSA-N 456.589 4.801 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Br)c1 16455660 YZBLCYQBULSPCW-DEOSSOPVSA-N 498.352 4.646 10 10 JJCE CCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33807233 QXSAOOPJJZPZCI-XDHOZWIPSA-N 482.606 4.755 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC 33916542 FLLBIQGXPKEVNO-RQZCQDPDSA-N 483.398 4.947 10 10 JJCE CCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33925682 LWTLJHAYCKATKO-GHRIWEEISA-N 453.614 4.765 10 10 JJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 34262471 CKXSEJZFZINDPB-KGENOOAVSA-N 465.600 4.704 10 10 JJCE Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 34683656 YKSOHRDKNSTPBP-UHFFFAOYSA-N 463.647 4.921 10 10 JJCE O=C1/C(=C/c2cn[nH]c2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Nc1nc2ccccc2s1 35518543 DITAQRLPNSPEKF-SXGWCWSVSA-N 480.556 4.823 10 10 JJCE CCOC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40928396 NHPWPBSYDGEMEO-FCQUAONHSA-N 494.638 4.928 10 10 JJCE CCN(CC)CN1C(=O)/C(=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 59081079 HZJHXCQUNIFPSJ-QZQOTICOSA-N 451.617 4.725 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCCC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526374339 XNSBPCIDFPSUMB-RUZDIDTESA-N 488.540 4.772 10 10 JJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727375263 KRMHLXCSRKJMSG-HSZRJFAPSA-N 478.662 4.787 10 10 JJCE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1O 1294673608 LSKBBBRFZPXAAJ-SANMLTNESA-N 458.558 4.914 10 10 JJCE COc1ccc(O)c(CN2CCC[C@@]3(C[C@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1 1615529242 NXGZBDUDUSDVOO-LBNVMWSVSA-N 499.051 4.864 10 10 JJCE CCc1ccc([C@@H]2CN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CC)n3)CCO2)cc1 1869130047 CSBDRDZRZDUEBD-SANMLTNESA-N 487.648 4.515 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4cc5ccccc5n4C)c3)CC2)cc1 1874729239 LEMVOWIQTNGNFE-UHFFFAOYSA-N 496.611 4.834 10 10 JJCE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)cc1I 2180959377 CCPUCFWVGBHJMZ-ZDUSSCGKSA-N 485.326 4.943 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@]1(CN)CCN(Cc2ccccc2)C(C)(C)C1 2199895536 HWIRKQNELONEAL-NDEPHWFRSA-N 466.670 4.920 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3cc(Br)cs3)cc2)CC1 2286071902 UJEHBPMFPGRUGE-SFHVURJKSA-N 453.402 4.649 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1 2297057073 JVESXRGYASTOHC-UHFFFAOYSA-N 471.944 4.878 10 10 JJCE COc1cc(OC)c(-n2c(C)cc(C=C3C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1Cl 2297317096 URJBPYYGKPJLOS-UHFFFAOYSA-N 456.955 4.932 10 10 JJCE CCCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2314414582 DRONYHRWFUOGPU-UHFFFAOYSA-N 482.631 4.990 10 10 JJCE O=C(COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nccs1 2314488487 XVIMXPQBHJFUIA-UHFFFAOYSA-N 453.570 4.566 10 10 JJCE Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c(C)c1 6767773 GYSLHYFVCAAVHX-UDWIEESQSA-N 468.600 4.961 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 15039911 WHMCUVWOIPLMJU-RGEXLXHISA-N 472.563 4.623 10 10 JJCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccccc4F)c4ccccc4n3)CC2)cc1 25143226 IJFHDCBATWKRMI-UHFFFAOYSA-N 470.548 4.639 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 31660054 RVAGFQLSNDFXRK-MHZLTWQESA-N 488.544 4.776 10 10 JJCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)o1 33768521 SZPZFHFDGLAVDB-YBEGLDIGSA-N 458.257 4.931 10 10 JJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)C[C@@H](C)C2)SC1=S 39990108 YSHUARYMDYSMGH-FASCHPMRSA-N 472.680 4.532 10 10 JJCE CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1cccc(Br)c1 40942135 IISVWTBGPOKAQA-LICLKQGHSA-N 450.379 4.916 10 10 JJCE CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(N2CCOCC2)cc1 59462550 BPXYHOWHOXYVQN-NDEPHWFRSA-N 469.589 4.517 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526284911 UALQBGKWIPBNDF-RUZDIDTESA-N 470.529 4.703 10 10 JJCE COC(=O)CCCN1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 918782314 GDJDAAXEIHDMPG-NTEUORMPSA-N 472.535 4.983 10 10 JJCE CSc1ccccc1[C@H]1CCCN1C(=O)[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1 1772633366 VTRDNEOWTJUMQS-ILBGXUMGSA-N 474.630 4.895 10 10 JJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N(C[C@@H](C)O)C1=O 1858587028 PTYSPFSYVSZLEI-ACJFOYDFSA-N 463.934 4.712 10 10 JJCE CCc1ccc(NC(C)=O)cc1NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860750742 QCCQBTVPCOEYHT-UHFFFAOYSA-N 493.585 4.917 10 10 JJCE COc1ccc(O)c(Cn2nc(C3CCC3)c(C(F)(F)F)c2I)c1 2079695399 XCZSSUKGYLCMBP-UHFFFAOYSA-N 452.214 4.537 10 10 JJCE CCOC(=O)c1c(C)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079939540 PLGDJOSQJRDMNT-GOSISDBHSA-N 468.335 4.685 10 10 JJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 2293403514 JSQSZMRSIJZOIR-UHFFFAOYSA-N 486.524 4.518 10 10 JJCE COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3C)N=C2C)cc1 2297511467 NDDPAHJRPKJMDZ-UHFFFAOYSA-N 490.585 4.831 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)C(C)C)CC2)cc1 2329540070 NCGANDCCMZYBKV-GDLZYMKVSA-N 489.660 4.595 10 10 JJCE CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S 2673012 WBRYBPRKRBLDCU-UNOMPAQXSA-N 472.544 4.824 10 10 JJCE O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCN(c2cccc(Cl)c2)CC1 14805281 OGWIKTJFGOLXRV-HSZRJFAPSA-N 497.064 4.823 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 33490846 JPQOAICVTBFXIE-YBFXNURJSA-N 470.664 4.851 10 10 JJCE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 72413685 RBLKBAPGBAVEHE-XZOQPEGZSA-N 472.570 4.530 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526282047 JHSXAVQWZCTCSL-RUZDIDTESA-N 470.529 4.703 10 10 JJCE C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCOC2)n1CCCSc1nccs1 1690754792 IGUKGOIFNVNMAI-POLXVDLBSA-N 455.653 4.961 10 10 JJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1OCC 1858589062 GPHXWEYRCMAMRL-RCCKNPSSSA-N 473.616 4.945 10 10 JJCE COc1ccc([C@H](CN2C(=O)/C(=C\c3cccc(OC(C)C)c3)SC2=S)N(C)C)cc1 1858594448 ZVTMQHQJHPRBEC-PIUNUONSSA-N 456.633 4.987 10 10 JJCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)SC1=S 1858596522 VMFFXTODRQJALS-SICHJTSSSA-N 464.790 4.509 10 10 JJCE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc2c1CC[C@H](C(C)(C)C)C2 1866040867 PIGGKLIHFMMTFF-CVEARBPZSA-N 484.618 4.686 10 10 JJCE CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870958487 WBVACYAJVCOADU-UHFFFAOYSA-N 496.611 4.962 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873162011 BMWWNVIPDWNPJO-UHFFFAOYSA-N 485.628 4.821 10 10 JJCE Cc1c(C)c2ccc(O[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)c2oc1=O 1874017244 MEXXVQDCKHNSBG-KRWDZBQOSA-N 481.504 4.900 10 10 JJCE COc1cc(Cl)cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 1951626645 XQGBXLWXHGEPSV-OAQYLSRUSA-N 453.878 4.719 10 10 JJCE O=C(NCCNCc1cc(Br)cc(F)c1O)OCC1c2ccccc2-c2ccccc21 1956262578 VAFSGNUANHVKPB-UHFFFAOYSA-N 485.353 4.922 10 10 JJCE O=C(O)C(=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccccc2)o1 2053511276 MKDWLZRXXLQYFP-UHFFFAOYSA-N 452.492 4.853 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)C(=O)N=C2S1 2293453420 BMIOTQSLZLADBV-UHFFFAOYSA-N 478.574 4.799 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C3CCCCC3)C2=O)cc(I)c1O 2293779482 PMIVXNJCZYWMLV-UHFFFAOYSA-N 489.400 4.929 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1C 2296715291 GKQFRQJUFGMMBK-UHFFFAOYSA-N 491.638 4.803 10 10 JJCE CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2297462403 SHGKQQCAUKGBFJ-UHFFFAOYSA-N 471.991 4.997 10 10 JJCE CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C1=O 2313624017 IFHJHUCWMJPEDR-UHFFFAOYSA-N 486.753 4.587 10 10 JJCE CCN1C(=O)C(=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)SC1=S 2314508177 NIRMIIYPUGIHBB-UHFFFAOYSA-N 457.964 4.670 10 10 JJCE Cc1ccc(C=C2SC(=S)N(CC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 2314817651 HFZPLBSHESXQMT-UHFFFAOYSA-N 490.610 4.764 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)NCc1ccccc1 2314827945 PQOVNGJZFOLLTG-UHFFFAOYSA-N 460.580 4.997 10 10 JJCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 2323766899 PARFLMMLGRVHNA-KRWDZBQOSA-N 454.617 4.896 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(N5CCC(C)CC5)nc4)c3C)CC2)cc1 33128467 SYEBYJCSKJTKTA-UHFFFAOYSA-N 487.648 4.696 10 10 JJCE Cc1c(N2C(=O)/C(=C\C3=Cc4ccccc4O[C@H]3C)SC2=S)c(=O)n(-c2ccccc2)n1C 34967931 WMAUWFCQZSLYHJ-YIRPMMGJSA-N 475.595 4.598 10 10 JJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990221 YLOUPQBVRPGXAW-ZHTGWBIJSA-N 472.680 4.819 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526383510 NIAOYYJUABSGNS-XMMPIXPASA-N 493.512 4.580 10 10 JJCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)O[C@H](C)C2 730539671 HTYCTLAJTQPOJU-ITAOHFDISA-N 478.633 4.786 10 10 JJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864013815 GXLGZTMIOSXKME-GCJKJVERSA-N 484.641 4.827 10 10 JJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1Cc1cccc(Cl)c1 1865679421 MILMZWWPWAVLSW-NDENLUEZSA-N 475.888 4.850 10 10 JJCE CC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866979288 ITZXCPUNLLWPFA-ZCYQVOJMSA-N 498.579 4.744 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873424111 ZOTRZUHYBNFSHG-UHFFFAOYSA-N 483.547 4.712 10 10 JJCE CCOc1cccc(C(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)c1 1874756804 QVAQGNKXWZJBEY-UHFFFAOYSA-N 487.600 4.741 10 10 JJCE CO[C@@H](c1ccc2ccn(C)c2c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952325560 HHMMBKSKTFLUHE-UIOOFZCWSA-N 470.525 4.858 10 10 JJCE Cc1cc(O)c([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C2(C)CC2)cc1C 2080030405 MJQJLYOCUFIGLC-AWEZNQCLSA-N 494.251 4.917 10 10 JJCE Cc1ccc(C=C2SC(N3CCN(C4=NC(=O)C(=Cc5ccc(C)cc5)S4)CC3)=NC2=O)cc1 2297453727 RCSJTQZHWYWCTG-UHFFFAOYSA-N 488.638 4.562 10 10 JJCE O=C1C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2314400171 JYJODSJKEZHCNT-UHFFFAOYSA-N 465.625 4.990 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3c(C)cccn3c2=O)SC1=S 2261450 MASFFIRKZDXUQH-SDXDJHTJSA-N 458.653 4.631 10 10 JJCE CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 20210664 XEBQBOBCOYHUJH-FNKNWIJASA-N 455.543 4.852 10 10 JJCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 38196120 SULPCNFTPSIBLM-ATVHPVEESA-N 469.375 4.867 10 10 JJCE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S 39793810 KDINQGVCCRDIAZ-YBEGLDIGSA-N 452.479 4.554 10 10 JJCE COc1cc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc(Cl)c1OC 71933417 OTWINALLWNAGGA-ZZXKWVIFSA-N 484.902 4.542 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 103548199 YGCHBIHJUBMWAA-XIEYBQDHSA-N 482.536 4.971 10 10 JJCE COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 111845607 HTXGQXFYYNUWKG-UNOMPAQXSA-N 465.508 4.837 10 10 JJCE CCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCC)C2=O)cc1OC 206456547 HGZFJLFAUADXDU-XDJHFCHBSA-N 451.610 4.809 10 10 JJCE CCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 213188828 CQGNVMFCPVJILR-ATVHPVEESA-N 455.536 4.546 10 10 JJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 526464970 YSMJEMZDCCFHIW-NRFANRHFSA-N 451.500 4.783 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc3)CC2)cc1 1861928732 NHMXUOXSLVYDQA-XMMPIXPASA-N 498.410 4.822 10 10 JJCE CCCCc1ccc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2c1 1866516484 XTBAKCUFFQTIBJ-UHFFFAOYSA-N 450.494 4.898 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)C(C)C)CC2)cc1 1868936332 TUJFWKCRSGKERR-QDPGVEIFSA-N 497.655 4.844 10 10 JJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](Oc3ccccc3)C2)n1 1869232580 RHSWWGGTMKHPPB-SANMLTNESA-N 487.648 4.812 10 10 JJCE CCCn1c(C(=O)Nc2ccccc2CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650425 RNJASPKLHDBKBC-UHFFFAOYSA-N 498.631 4.991 10 10 JJCE Cn1ccc2c([C@]3(C(=O)O)C[C@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cccc21 1952693788 XFVMOIVYMIIRDX-LEAFIULHSA-N 452.510 4.812 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(C)(C)C)c(CO)c2I)cc1C 2080012480 PNURCXFPRKZLQH-SFHVURJKSA-N 468.379 4.989 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)(F)F)c(CN)c2I)C(C)(C)C)cc1C 2080053697 KKNCTYGLCSHIHL-OAHLLOKOSA-N 481.300 4.923 10 10 JJCE C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1)c1ccc(N(C)C)cc1 2140602299 MKTPPNZKWJSGLX-PXDATVDWSA-N 452.643 4.525 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c1 2294216898 NJSLJXGZFITMIR-UHFFFAOYSA-N 461.499 4.611 10 10 JJCE COc1ccc(C=C2N=C(c3cccc(Br)c3)N(c3nccs3)C2=O)cc1OC 2296330974 NYKGTTULJIWEFJ-UHFFFAOYSA-N 470.348 4.757 10 10 JJCE CCN(CC)c1ccc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1Br 2297302775 JHVPNKMMBYQJGA-UHFFFAOYSA-N 456.340 4.800 10 10 JJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C(=Cc3cccc(Cl)c3)O4)CC2)cc1 2297384899 QPTQGYSOJUDXRX-UHFFFAOYSA-N 489.959 4.683 10 10 JJCE CCN(CC)c1ccc(C=C2SC(=S)N(CNc3ccc(C(=O)OC)cc3)C2=O)cc1 2313501822 HHTVQMXBMOFFOL-UHFFFAOYSA-N 455.605 4.590 10 10 JJCE CCOc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCSC)C(=O)O)C3=O)o2)cc1 2314650509 KXLCWYMISCGVSP-MRXNPFEDSA-N 463.602 4.753 10 10 JJCE COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 15046045 RBSHLUHUMZEJFK-SJWFJVLYSA-N 462.980 4.586 10 10 JJCE Cc1ccc(N2C(=O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C(O)=NC2=S)c(C)c1 59858188 QPEWUTRUCJCCDX-UDWIEESQSA-N 475.530 4.686 10 10 JJCE CCOc1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1 96475600 QLWIDXHYBSJFTK-XDHOZWIPSA-N 461.430 4.756 10 10 JJCE COc1ccc(N2CCN([C@H](c3ccc(C)cc3)[C@H](O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 101014137 QAOANJVZEKVGFE-PXJZQJOASA-N 469.585 4.592 10 10 JJCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)ccc1OCc1ccccc1 206860603 PYEUWMKTZSHKTG-RCCKNPSSSA-N 471.600 4.819 10 10 JJCE CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 210721086 NNPZKTIXWYSBGH-HMMYKYKNSA-N 456.589 4.714 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(N(C)C)cc2)c1 526327306 GKVVQXNSZRTWHT-VWLOTQADSA-N 460.530 4.836 10 10 JJCE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CC(OCC)C1 1705712098 XYENMNDRMZPOJU-UHFFFAOYSA-N 463.626 4.685 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(OCC)cc1 1860748058 JUVYDOOVZOAPQB-UHFFFAOYSA-N 496.541 4.605 10 10 JJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031191 BCZHLOGQLQCLSY-QHCPKHFHSA-N 496.567 4.514 10 10 JJCE CCC[C@H](NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868946716 OHLYYRRZPOVEKB-KCWPFWIISA-N 497.655 4.988 10 10 JJCE CCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870905985 ZRNIHMOGIWENLH-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164853 VYGTXBJQEKVZJY-UHFFFAOYSA-N 480.543 4.698 10 10 JJCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873419354 AVRITGITBGVCAH-HSZRJFAPSA-N 485.584 4.782 10 10 JJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2cc(C)c(C)cc2O)C2CC2)c1I 2080011689 DLQGANHAVBNRTK-QGZVFWFLSA-N 482.362 4.894 10 10 JJCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 2297462255 RWPIODBMAVXTEP-UHFFFAOYSA-N 480.473 4.767 10 10 JJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2313559053 PUNFUWFZYASMPU-UHFFFAOYSA-N 466.921 4.889 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(F)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934093 GDYAFHVTSMUYSW-INIZCTEOSA-N 461.536 4.872 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3cccc(C)c3C)C2=O)ccc1OCCC(=O)O 2314936502 YUMJVDJMTPJOEY-UHFFFAOYSA-N 457.573 4.961 10 10 JJCE CCOc1cc(C=C2SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)ccc1OC 2323879538 ABIKXSJOFDYLIQ-UHFFFAOYSA-N 468.644 4.960 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(OCC)cc3)C2=O)cc1 33417545 CKRKSSKBXNLHKJ-HMMYKYKNSA-N 456.589 4.714 10 10 JJCE CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)s1 33436709 FSOXZIKBAITORZ-PGWBGFSZSA-N 458.634 4.667 10 10 JJCE CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCCc3ccccc3)c(OC)c2)SC1=S 40888745 OILPMTWDGZPPHB-JWGURIENSA-N 485.627 4.861 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccccc1C 95535901 QTJMNUHCVCYQAJ-HFWWHKETSA-N 481.936 4.955 10 10 JJCE O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 101828340 OOITVNFBCHGTIT-UHFFFAOYSA-N 477.568 4.739 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526392883 DEJMILLBAKSERP-AREMUKBSSA-N 487.556 4.785 10 10 JJCE Cc1noc(C)c1CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccs1 586214562 IKMQSMNZULLYLE-UHFFFAOYSA-N 478.551 4.524 10 10 JJCE CN(C)c1cccc(NC(=O)c2ccc(CNC(=O)c3ccccc3Br)cc2)c1 1860854748 JTUMOYKYFZMANM-UHFFFAOYSA-N 452.352 4.697 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1 1866537455 UWMWTBVWUYNPGJ-UHFFFAOYSA-N 462.383 4.575 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(CCc3cccs3)C2=O)cc1 1873164085 LDNCTWHIKGNHLK-UHFFFAOYSA-N 482.609 4.663 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](c2ccc(O)c(O)c2)C1 1952451978 DNOQIFSXMOHREZ-SBUREZEXSA-N 459.498 4.885 10 10 JJCE Cc1ccc(CNc2cc(I)cc(I)c2)c(O)c1 1963051828 VBPIEYJOUOBKFA-UHFFFAOYSA-N 465.072 4.522 10 10 JJCE Cc1ccc([C@H](n2nc(C(F)(F)F)c(C=O)c2I)C(C)(C)C)c(O)c1 2079038228 XFGYTABUGOYYJQ-AWEZNQCLSA-N 466.241 4.969 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c1I 2079980773 JDKHCHQXWUJSJH-LJQANCHMSA-N 480.346 4.864 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2296648997 WLQQMFYMGLVBFP-UHFFFAOYSA-N 487.693 4.522 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2296758211 GOFYBVKLDOXNHJ-UHFFFAOYSA-N 470.319 4.503 10 10 JJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(Cl)c1C 2313682711 JBHGLDIQLNCKCC-UHFFFAOYSA-N 454.939 4.910 10 10 JJCE Cc1csc2nc(Cl)c(C=C3SC(=S)N(C4CC(C)(C)NC(C)(C)C4)C3=O)n12 2323789859 BAQMMQHAXABZJH-UHFFFAOYSA-N 455.074 4.868 10 10 JJCE O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2)N1CCOCC1 14546692 GSEYBZMRYKZRPA-WJONJSRFSA-N 465.402 4.841 10 10 JJCE CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 20154848 UFDXWQVRCNMFIO-DJCMSSBQSA-N 486.600 4.696 10 10 JJCE O=C1N=C(O)/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 33323980 NYBHAZOVDUAXTI-ZROIWOOFSA-N 450.086 4.718 10 10 JJCE Cc1ccc(Sc2oc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2Br)cc1 103567476 BSSUUYSLJCEFIH-QPEQYQDCSA-N 470.391 4.788 10 10 JJCE CN(CC1CCN(Cc2ccccc2)CC1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 719899547 ZTDPZIRYFRNJRQ-UHFFFAOYSA-N 464.654 4.910 10 10 JJCE CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=O 1084436221 BEPKXYWUEBQXCV-QGOAFFKASA-N 451.276 4.718 10 10 JJCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)c2)CC1 1585114440 WIOCGBSNEPMZHM-UHFFFAOYSA-N 451.473 4.678 10 10 JJCE CCOC(=O)c1c(NC(=O)c2ccc(CS(C)(=O)=O)o2)sc(C)c1-c1ccc(OCC)cc1 1865785805 CJCMTFRQHYQPAI-UHFFFAOYSA-N 491.587 4.689 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCC(C)C)CC2)cc1 1870612596 DOHKKGQFDCUTTC-UHFFFAOYSA-N 453.627 4.570 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423182 INUZLYHXJWJSBB-UHFFFAOYSA-N 479.584 4.881 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)cc1 1874721271 UNFDIHWRVKTGEL-UHFFFAOYSA-N 477.992 4.996 10 10 JJCE O=C(O)[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1O 1952830581 XMULRUQUNZTWKX-NZQKXSOJSA-N 474.469 4.697 10 10 JJCE COC(=O)c1cccc(N=Nc2c(O)[nH]c3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc23)c1 2060439270 RRGWXUGPBJKXAI-UHFFFAOYSA-N 482.493 4.693 10 10 JJCE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163170434 WZAJNCGBAQSPGU-SFHVURJKSA-N 474.646 4.788 10 10 JJCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OC(=O)c4ccco4)cc3)SC2=S)cc1OC 2296727065 LHYSCBBTYFAHQR-UHFFFAOYSA-N 495.578 4.960 10 10 JJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 2297310354 FJASPQTYNCPQNG-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314401439 YPDGPLDORXJCSZ-UHFFFAOYSA-N 490.654 4.641 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCCC(C)C 2314764502 DYUCQTUMWDESFM-UHFFFAOYSA-N 456.589 4.666 10 10 JJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(Br)o2)SC1=S 2314767046 CVSCFJAZVFOQKV-MRXNPFEDSA-N 466.378 4.938 10 10 JJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 16216937 YHOHRPOKXMLUMT-BKUYFWCQSA-N 492.915 4.603 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1C 20236337 IZLLBTDMOXAYFH-WNDUKTEYSA-N 482.334 4.795 10 10 JJCE CCc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(O)=NC2=S)cc1 33321647 AWTPJVBCANENNU-AUWJEWJLSA-N 479.341 4.691 10 10 JJCE O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1ccccc1Cl 33377243 PMVRPYRXYIQNKZ-NTEUORMPSA-N 453.770 4.649 10 10 JJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33781133 LQKOSACZHBBPGJ-UYRXBGFRSA-N 468.648 4.891 10 10 JJCE CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)C(=O)N(c3ccccc3)C2=S)cc1 35227845 ODRQTPXRGNEBCE-JWGURIENSA-N 488.565 4.851 10 10 JJCE CCOc1ccc([C@@H](NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)C(C)C)cc1OCC 209940296 DFSOYULQKUHNNQ-FEMMLKEQSA-N 452.595 4.847 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226685827 UAQOSJDXLCJSGI-BUEREQSYSA-N 474.582 4.979 10 10 JJCE CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)CC1 226845237 MNDYFNIZAISWRY-IECBHUPTSA-N 469.563 4.548 10 10 JJCE O=C1C(O)=C(c2ccc(Cl)cc2)[C@H](c2ccc(O)c(O)c2)N1c1ccc2c(c1)OCCO2 526158095 LXIHKEPLQLJBEN-QFIPXVFZSA-N 451.862 4.580 10 10 JJCE COc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526217506 YRVRLXZHKQXCOV-VWLOTQADSA-N 460.530 4.836 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526506000 JWCIQZDRHGZLFR-VWLOTQADSA-N 473.573 4.893 10 10 JJCE CC(=O)c1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c1O 1646153710 ROLYSTLDRDLHIM-LEWJYISDSA-N 462.949 4.880 10 10 JJCE CC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c2ccccc21 1670621338 RCIOERCQNNGSBV-VGSWGCGISA-N 455.002 4.873 10 10 JJCE CSc1ccccc1[C@@H]1CCCN1C(=O)[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1 1772633368 VTRDNEOWTJUMQS-UKILVPOCSA-N 474.630 4.895 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1Br 1860344997 MGFCWSLPESLIPU-UHFFFAOYSA-N 499.368 4.976 10 10 JJCE COc1ccc(/C=C(/C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c2ccccc2)cc1 1865912115 WNGXEUYIHVZNKW-YOIXRZRBSA-N 466.585 4.941 10 10 JJCE CCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866570504 DBDJIGHCTMXGHP-RUZDIDTESA-N 493.563 4.800 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867994447 VETQCTMLHWQIHK-NRFANRHFSA-N 473.621 4.724 10 10 JJCE Cc1ccc([C@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1868143219 QZJIJQYQWGDUFP-HSZRJFAPSA-N 468.553 4.655 10 10 JJCE CCCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421743 OPAKPLJVCSWXEX-UHFFFAOYSA-N 474.517 4.613 10 10 JJCE CC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 2095811353 NFZSFPZZICHKBP-OAQYLSRUSA-N 450.627 4.663 10 10 JJCE Cc1ccc(C2=NN3C(=N)C(=Cc4c(C)nn(-c5ccccc5)c4Cl)C(=O)N=C3S2)cc1 2297499870 GFFTWRFMWQXADQ-UHFFFAOYSA-N 460.950 4.810 10 10 JJCE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1 2313548835 GWVFLIRYUWNMDM-UHFFFAOYSA-N 483.436 4.683 10 10 JJCE CCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCCCCC(=O)OC)C1=O 40928190 QELRVJIPNSJEDE-FOWTUZBSSA-N 472.426 4.782 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(N(C)C)cc2)c1 526284912 UALQBGKWIPBNDF-VWLOTQADSA-N 470.529 4.703 10 10 JJCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCc3cc(Cl)cc(Br)c3O)CC[C@H]2C1 708125613 VVPNARWUEQXHGV-JGGQBBKZSA-N 459.812 4.933 10 10 JJCE C/C(=C/c1ccc(Cl)cc1)CNCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1656174392 VFFZJEQFFWQYCD-CYVLTUHYSA-N 451.977 4.789 10 10 JJCE COc1ccc(N2CCN(C(=O)c3nc(-c4c(F)cccc4Cl)n4ccccc34)CC2)cc1 1858340914 FQCJWTBCFKRLBM-UHFFFAOYSA-N 464.928 4.765 10 10 JJCE Cc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1860560491 HYAMRPFMQXNBCE-UHFFFAOYSA-N 489.531 4.989 10 10 JJCE CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865674829 AJJSVDLURFUDFH-OQKWZONESA-N 463.578 4.919 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991566 CUMWVKKUYUTQEW-OAQYLSRUSA-N 473.621 4.866 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168082 INRFGPINZSZEEP-QHCPKHFHSA-N 484.644 4.867 10 10 JJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420594 QMYYQDIZPFZGAX-UHFFFAOYSA-N 473.573 4.720 10 10 JJCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccc1F 1873862090 MVBDBHHOJGQRFN-UHFFFAOYSA-N 452.489 4.742 10 10 JJCE CCOc1cccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1O 1952830625 YAHYPNNAIPALQA-AMGIVPHBSA-N 459.498 4.629 10 10 JJCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(=O)O)c2I)C(C)(C)C)c(O)c1 2079845807 UXLXIGMZOGAIOL-ZDUSSCGKSA-N 498.239 4.554 10 10 JJCE COc1ccc([C@@H](n2nc(C3CCC3)c(CN)c2I)C(C)(C)C)c(O)c1 2080030545 OGMJJCKAIBWAHB-GOSISDBHSA-N 469.367 4.564 10 10 JJCE CCOC(=O)c1c(C2(C)CC2)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2080043450 VAYGMZRQTIQDCB-GOSISDBHSA-N 463.372 4.978 10 10 JJCE C[C@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1CNC(=O)OC(C)(C)C 2163172050 MJDHYPAHRUEZDO-ROUUACIJSA-N 474.646 4.549 10 10 JJCE CCN(CC)c1ccc(CN=c2nc(-c3cccnc3)[nH]n2C(=O)C=Cc2ccccc2OC)cc1 2294450680 JHVJKJJPGOMMIE-UHFFFAOYSA-N 482.588 4.583 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1C 2296712248 NOELTDYQPCVKPR-UHFFFAOYSA-N 479.627 4.516 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 2296713415 AFVUSLPKMAPXPB-UHFFFAOYSA-N 453.427 4.823 10 10 JJCE O=C(CCCN1C(=O)C(=Cc2ccco2)SC1=S)Nc1ccccc1Br 2296808028 MFIAHOALNQFWHG-UHFFFAOYSA-N 451.367 4.662 10 10 JJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(C)cc1 2297335729 CCBZLQYEZUXFGD-UHFFFAOYSA-N 497.379 4.676 10 10 JJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 2297463082 CSWFBAZXEOKBRZ-UHFFFAOYSA-N 492.959 4.966 10 10 JJCE O=C(CN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 2297500691 UVWYRBBHVDXGPV-UHFFFAOYSA-N 473.982 4.521 10 10 JJCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2314414087 PFJDWSGOFINCEI-UHFFFAOYSA-N 476.627 4.841 10 10 JJCE COc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1 2314736098 URWIWKCLLKNIKF-UHFFFAOYSA-N 457.573 4.649 10 10 JJCE CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)SC2=S)cc1 2314928778 BIKGMIUEPOWZIV-OAHLLOKOSA-N 456.589 4.791 10 10 JJCE CC(C)CN1C(=O)C(=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)SC1=S 2331592393 FHSTVXNRSORWJX-UHFFFAOYSA-N 451.573 4.772 10 10 JJCE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 33933697 NIHBRKGFBMKJCS-CJLVFECKSA-N 476.627 4.954 10 10 JJCE CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 40564523 KLESTBLDEYRJTJ-AYCSXLNKSA-N 478.573 4.571 10 10 JJCE Cc1cc(O)ccc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345059 QICBNSCECMXKQQ-UHFFFAOYSA-N 464.525 4.617 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(Cc4ccccc4F)n3)CC2)cc1 1862374110 GTIFNWSCDDIWBM-UHFFFAOYSA-N 488.538 4.848 10 10 JJCE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427721 YCZXUURVGOFKBP-UHFFFAOYSA-N 482.628 4.997 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)[C@H](C)c4ccccc4)cc3)CC2)cc1 1874746666 AXRTWODNUUNKST-JOCHJYFZSA-N 472.585 4.799 10 10 JJCE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNCc2c(O)ccc3ccccc23)C1 2205549965 QNMGXGAQEBDWHH-QHCPKHFHSA-N 461.606 4.757 10 10 JJCE O=C1C(=Cc2ccc(I)cc2)SC(=S)N1CNc1cccc(F)c1 2313502105 PPGHFHXFASCSFB-UHFFFAOYSA-N 470.332 4.701 10 10 JJCE Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2313547828 CWWCWHLERYMQEB-UHFFFAOYSA-N 469.328 4.521 10 10 JJCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OCC 2313549006 LATSDBOVACTRGX-UHFFFAOYSA-N 487.350 4.530 10 10 JJCE CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682927 NYCVCGHERQVKHE-UHFFFAOYSA-N 465.513 4.933 10 10 JJCE CCCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 2314765234 YIUSHBZKOMNPNJ-UHFFFAOYSA-N 479.627 4.838 10 10 JJCE O=c1oc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1nc2ccccc2s1 11867626 FFGRSZWHMCBZIX-FUHWJXTLSA-N 497.576 4.556 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1cccc(C(F)(F)F)c1 15037811 DZVXQLKNGQKPPY-YBEGLDIGSA-N 481.477 4.844 10 10 JJCE C=CCN1C(=O)/C(=C\c2ccc(OCCOc3ccc(OC)cc3)c(OCC)c2)SC1=S 33419661 LMHHKFIBKZMXDL-CJLVFECKSA-N 471.600 4.939 10 10 JJCE Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1C 33551478 SGZFGSGRBIQTJX-IJQXDZDCSA-N 497.580 4.824 10 10 JJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 39989740 IRPKATQIJVBRMK-BFURNPMBSA-N 472.680 4.532 10 10 JJCE CCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 40939802 CDLUMLWKKUIQDZ-HKWRFOASSA-N 456.589 4.810 10 10 JJCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3Br)CC2)c(C)n1-c1ccc(F)cc1 62694555 RMPPYNBFBTZKJV-UHFFFAOYSA-N 498.396 4.636 10 10 JJCE CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 103542644 GPVXIJOQCXDNIU-GZTJUZNOSA-N 450.834 4.803 10 10 JJCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)ccc(N)c2C1 702105329 CQDXNQNVZJSGNO-RBTNQOKQSA-N 462.638 4.520 10 10 JJCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1 728838847 QDKCZJLMTUVGAJ-UHFFFAOYSA-N 490.570 4.608 10 10 JJCE CC[C@@H](C)OC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858857765 HESLEZHRMGAHPV-CVEARBPZSA-N 487.512 4.610 10 10 JJCE CC(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc1 1860883522 GBDIPQTVZAUIMP-UHFFFAOYSA-N 451.592 4.607 10 10 JJCE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868714715 TUGNFJURRCQHRT-VAVYLYDRSA-N 497.655 4.906 10 10 JJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)NC[C@@H]4COc5ccccc5O4)ccc3[nH]2)cc1 1872742254 QGIZKRATJMMXIW-OAQYLSRUSA-N 456.546 4.646 10 10 JJCE CCc1c(C)sc2nc(C(=Cc3ccc(N(CC)CC)cc3)C(=O)N3CCOCC3)nc(O)c12 2040464004 WCGKANYGQPRSFM-UHFFFAOYSA-N 480.634 4.513 10 10 JJCE COC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(C)cc2O)C2(C)CC2)c1I 2079017149 YHBWGIAEJBCGPP-KRWDZBQOSA-N 480.346 4.729 10 10 JJCE CCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl 2296727542 LTBTVDPLYUMVHW-HNNXBMFYSA-N 467.827 4.509 10 10 JJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 2297298403 JRKDJWJXYTWVIS-UHFFFAOYSA-N 496.273 4.592 10 10 JJCE CSC1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1 2297463073 BIPKZVINARWZRP-UHFFFAOYSA-N 474.409 4.796 10 10 JJCE Cn1c2ccccc2c2ccc(CC(=O)N(CC(=O)O)Cc3ccc(Br)cc3F)cc21 2297692871 UGRBLLGYHIZSHT-UHFFFAOYSA-N 483.337 4.889 10 10 JJCE CCOCCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314509732 YALSVNZINIDOJQ-UHFFFAOYSA-N 495.626 4.731 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 14459050 PEQOAMGXRPCSDI-RNHFSVANSA-N 454.592 4.648 10 10 JJCE Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 57485233 GDCCGYXMTDCHKT-UHFFFAOYSA-N 462.365 4.522 10 10 JJCE CCOc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cccc(Cl)c4)C3=O)c2C)cc1 107754294 DPQMEFWWJPADOO-SANMLTNESA-N 479.964 4.796 10 10 JJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526568817 VOTGDCWSUYXYPE-DEOSSOPVSA-N 474.513 4.758 10 10 JJCE CCCCS(=O)(=O)N(CCOc1cccc(C)c1)c1cccc2c1C(=O)c1ccccc1C2=O 586189237 CWYYUQRNIDVINE-UHFFFAOYSA-N 477.582 4.786 10 10 JJCE C[C@@H]1CN(c2ccc(CNC(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2F)C[C@@H](C)O1 728745775 LJTAEWDLGRHAAX-NJDAHSKKSA-N 480.628 4.565 10 10 JJCE COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC1CCCC1 920870415 FFCHURFRIXARFR-WOJBJXKFSA-N 467.610 4.975 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1OC 1858594121 MCCDUXDGMGQQSH-QTCOBDOFSA-N 454.617 4.742 10 10 JJCE COc1ccc(N2CCN(C(=O)CCc3c(C)c4cc5c(C)coc5c(C)c4oc3=O)CC2)cc1 1860280932 NJYPZBIDNCHEDX-UHFFFAOYSA-N 474.557 4.754 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)sc(C)c1-c1ccc(F)cc1 1860658407 UHUZURJKCNASNY-GOSISDBHSA-N 487.597 4.906 10 10 JJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860749301 XAHIENZYEYQDGS-UHFFFAOYSA-N 464.543 4.907 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3F)C(=O)N(CCOC(C)C)C2=O)cc1 1873167197 VXVQVCPNKPIPCV-UHFFFAOYSA-N 475.564 4.528 10 10 JJCE CCCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421333 RWIYNRHICYMPDY-UHFFFAOYSA-N 486.616 4.637 10 10 JJCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)cccc21 1874016949 IVFKMIMQPQHDKM-UHFFFAOYSA-N 476.467 4.830 10 10 JJCE CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)[C@H]1c1ccccc1 1891742726 HXCUQZHZDANZQO-FQUABCPJSA-N 465.597 4.902 10 10 JJCE CC[C@H](CN(CC)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2116684860 CYEFALDOUMBSBF-QGZVFWFLSA-N 462.635 4.692 10 10 JJCE CC(C)(C)OC(=O)N[C@]1([C@@H](O)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163096012 VYYPTUYFXVDZKP-LBNVMWSVSA-N 465.638 4.880 10 10 JJCE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)c2ccc(N3CCCCC3)cc2)CCN(Cc2ccccc2)C1 2163152407 SRIDYSXXYYDHLZ-LSYYVWMOSA-N 464.654 4.846 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2294741867 UCFPQNDHRJWAGT-UHFFFAOYSA-N 450.853 4.725 10 10 JJCE N=C1C(=Cc2cccc(OC(=O)c3cccs3)c2)C(=O)N=C2SC(c3cccs3)=NN12 2297458236 WQXCZGWUVMNQSR-UHFFFAOYSA-N 464.553 4.696 10 10 JJCE COc1ccc(CNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1 2313682999 PIUIIXIITXKSHY-UHFFFAOYSA-N 457.530 4.527 10 10 JJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1O 20692729 HUAJTCFMISEHKP-LOYIFYEOSA-N 476.598 4.748 10 10 JJCE Cc1cc(C(=O)COC(=O)/C=C\c2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCCO2 33492860 DYMBYPHAAMAKGM-KTKRTIGZSA-N 474.538 4.914 10 10 JJCE CCCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40938984 CXVNCMVGUDMRMY-DQRAZIAOSA-N 480.611 4.538 10 10 JJCE Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)sc12 65081589 CCROJYOROQHYOX-LJQANCHMSA-N 492.624 4.528 10 10 JJCE CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 100208070 ZHFZTLZEQXOILK-UDWIEESQSA-N 451.519 4.597 10 10 JJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 526220151 XMSWMOOCPLFTFG-QHCPKHFHSA-N 463.486 4.571 10 10 JJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)N2CCCCC2)c1 586673552 ZTYFBKPSGMAYRA-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE CN(Cc1ccccc1)CC1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CC1 717636771 HLECYIWYQKRSFU-UHFFFAOYSA-N 464.654 4.910 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)sc(C)c1-c1ccccc1 1860747427 INJJWNQTFYCMCH-UHFFFAOYSA-N 462.449 4.895 10 10 JJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679249 CRHGEPISMIMHAL-FYJGNVAPSA-N 471.469 4.518 10 10 JJCE CC(C)c1cccc2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866420410 XADUFWFDWZLIPQ-RUZDIDTESA-N 460.622 4.675 10 10 JJCE CC[C@H](NC(=O)c1cccc2ccccc12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867664279 JIOBVPRXZWVQLQ-WUFINQPMSA-N 486.660 4.758 10 10 JJCE CC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868912051 JYYXLLXOFNIWSN-AREMUKBSSA-N 496.611 4.701 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccc(C)cc3)CC2)cc1 1870612429 BFCQBBAAACHZCK-UHFFFAOYSA-N 487.644 4.881 10 10 JJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873169993 KHDSFWCCECPFIW-UHFFFAOYSA-N 489.591 4.572 10 10 JJCE CCCCCCC(=O)Nc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874728806 QPJKVLAZRFSISY-UHFFFAOYSA-N 451.611 4.999 10 10 JJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)Cc4cc(C)ccc4C)cc3)CC2)cc1 1874740576 IGXWTBVNDZOQSG-UHFFFAOYSA-N 486.612 4.855 10 10 JJCE C[C@@H](CC(=O)O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951829376 IBFMETDBMUQPSI-QMHKHESXSA-N 461.514 4.658 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)[C@@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1952347684 VMJNHSKBLPICNP-JYFHCDHNSA-N 495.478 4.658 10 10 JJCE Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1-c1ccc2c(c1)OCCO2 2040425835 FVUKAYAVCXXZFZ-UHFFFAOYSA-N 486.318 4.660 10 10 JJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(OC)c(OC)c(OC)c2)SC1=S 2053614952 RBISXKRNIXZCRO-UHFFFAOYSA-N 481.599 4.786 10 10 JJCE COC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C(C)C)c1I 2078981614 NNXXAQDKGRDDKE-KRWDZBQOSA-N 456.324 4.657 10 10 JJCE CCN[C@H](c1ccc2c(c1)CCCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163154453 SDOSMYHYYPEYNI-AZGAKELHSA-N 466.670 4.745 10 10 JJCE CN1CCCc2cc([C@H](N)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268740511 YMFZFQIIHDKLHG-DEOSSOPVSA-N 451.611 4.523 10 10 JJCE Cc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 2293276377 ZTLZKLCQIAEDON-UHFFFAOYSA-N 476.916 4.773 10 10 JJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 2294118710 SBNLTWJAMHCYIK-UHFFFAOYSA-N 459.811 4.816 10 10 JJCE COc1cccc(O)c1[C@@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]2C[C@]12C(=O)O 2308895141 CKKDKFRRWINCNA-XIPSWSLHSA-N 471.509 4.798 10 10 JJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccccc3)SC2=S)cc1OC 2318684025 NIFZFQCBTBIQCM-KRWDZBQOSA-N 457.573 4.901 10 10 JJCE CN1C(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)c2ccccc21 3646678 FCILAVLPAJIILJ-NDENLUEZSA-N 464.363 4.543 10 10 JJCE CCN1CCN(c2cc(Nc3cccc(OC)c3)c3c4c(onc24)-c2ccccc2C3=O)CC1 3741960 YICHSMUMYVWHMK-UHFFFAOYSA-N 454.530 4.933 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@@H]3C=CC[C@H]32)c1O 20693761 GAXQHAXTKGFLAM-KHCICDEESA-N 454.592 4.838 10 10 JJCE Cc1cc(C(=O)COC(=O)/C=C\c2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2 33497047 SCLBYQHAPQTREP-KTKRTIGZSA-N 460.511 4.872 10 10 JJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccccc2)SC1=S 33530350 AFGFYHDCXLBFEP-UUASQNMZSA-N 473.790 4.958 10 10 JJCE CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 33932036 HMFIIBUVYXTAEE-XSFVSMFZSA-N 486.615 4.505 10 10 JJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 101420953 NJAHVDJASGMBIT-STZFKDTASA-N 492.959 4.885 10 10 JJCE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(C)n1-c1ccc(Br)cc1 108781092 XGFYQKIZDSVLNI-GOSISDBHSA-N 473.396 4.556 10 10 JJCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1O 226682902 GILVLWOXYMGTDR-SWYRRKHMSA-N 462.571 4.706 10 10 JJCE CCc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 1084384470 GWEFNKMRCVVNFO-UYRXBGFRSA-N 465.303 4.938 10 10 JJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1860344771 FLBLTRIANUPDBG-UHFFFAOYSA-N 499.914 4.775 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccc5c4ccn5C)c4ccccc34)[C@@H]21 1860347447 QCRZDLRURXLKEO-GDLZYMKVSA-N 489.579 4.919 10 10 JJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014013 LLDJJUNQDDJWDM-HXOBKFHXSA-N 496.567 4.560 10 10 JJCE COc1ccc(C2=NN(C)C(=O)/C2=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1865671430 ARNZJKIDVXRUPS-LICLKQGHSA-N 459.340 4.513 10 10 JJCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)sc2c1CC[C@@H](C)C2 1866279221 QWJOALNLZGCXNT-QZTJIDSGSA-N 495.645 4.641 10 10 JJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(OC)c(Cl)c4)cc3)CC2)cc1 1872884110 LRYXQOBKTCLEEQ-UHFFFAOYSA-N 465.981 4.932 10 10 JJCE O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874180853 VGMWXNCAKWIOJC-UHFFFAOYSA-N 459.299 4.887 10 10 JJCE CCOC(=O)c1c(NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)sc2c1CCCC2 2053493680 CTGPBPBDHXIWHL-UHFFFAOYSA-N 486.640 4.644 10 10 JJCE CCCN[C@H](c1ccc2c(c1)CCN2C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2163141753 XXAZPNPSJHRPLX-AZGAKELHSA-N 466.670 4.745 10 10 JJCE CCC1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1 2293279599 JXJTZWKENBTVIR-UHFFFAOYSA-N 454.939 4.957 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1 2293509380 UDCBZQNVIQHUGP-UHFFFAOYSA-N 478.574 4.818 10 10 JJCE Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 2297415364 KATZXUVMHFTSOJ-SANMLTNESA-N 491.569 4.779 10 10 JJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)C(=O)N(c3ccccc3)C2=S)cc1 2297616930 ODRQTPXRGNEBCE-UHFFFAOYSA-N 488.565 4.851 10 10 JJCE CCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OCC)C2=O)c2ccccc21 2314755120 UMYIFJNNWPDYDZ-UHFFFAOYSA-N 460.621 4.528 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1O 20694200 FHHKKTQPKSCQDQ-UMEGOILYSA-N 462.571 4.706 10 10 JJCE O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 40486516 NUXRHLKBNDIBRB-FQEVSTJZSA-N 466.837 4.854 10 10 JJCE CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)c2C)c1 58361825 JYYJPRSHYAJWPL-RUZDIDTESA-N 465.550 4.605 10 10 JJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCCCC2)cc1 586660795 DBEHAKTZYFABFD-UHFFFAOYSA-N 453.498 4.732 10 10 JJCE Cc1occc1C(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 727403084 VNJIGIKOADQBLF-UHFFFAOYSA-N 484.394 4.793 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1-c1ccc(F)cc1 1860759541 VMEFDPOGCYUODX-FDZBUTDGSA-N 472.582 4.919 10 10 JJCE CCCOc1cccc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)c1 1861864283 KYVRLOFNRPHMAO-UHFFFAOYSA-N 470.573 4.990 10 10 JJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864013424 BFNMIHZJSPTXPD-HSZRJFAPSA-N 494.636 4.604 10 10 JJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)cc1 1868846106 ZXCXHSPTNISMHP-SANMLTNESA-N 479.665 4.802 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](c3ccc(Cl)c(Cl)c3)C(C)C)CC2)cc1 1868865541 KSKSOADXNQQNFN-GAJHUEQPSA-N 492.447 4.595 10 10 JJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCO)cc1OCCOc1ccccc1 1871046523 FKSLZZCORPUJKU-UHFFFAOYSA-N 471.557 4.654 10 10 JJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1C 1873427057 AOOZKDMVXINUPS-UHFFFAOYSA-N 482.628 4.997 10 10 JJCE O=C(O)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1c(O)cc(O)cc1O 1951605481 MBTYNUIRSZVDRS-OAQYLSRUSA-N 463.486 4.638 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 2053515841 MITDRDNQSXFYGC-UHFFFAOYSA-N 490.654 4.641 10 10 JJCE Oc1cccc(CNc2cc(Br)c(I)c(Br)c2)c1O 2095446143 QTVRNKDGMBLYQI-UHFFFAOYSA-N 498.940 4.840 10 10 JJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@]1(CN)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2194925870 LNWOBMXIPSIOID-PZTLYNKJSA-N 464.654 4.672 10 10 JJCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 2297554527 COZDQBFQAZBVAI-UHFFFAOYSA-N 456.589 4.801 10 10 JJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 2313560104 JKNNAFZIYODMBU-UHFFFAOYSA-N 451.885 4.895 10 10 JJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15047504 XSXZDRDCHFSWFL-OTWJJXBCSA-N 462.980 4.673 10 10 JJCE COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCCCOc1cccc(C)c1C 27572596 RTZTWSFTEXPWJS-RSPUHVBCSA-N 463.559 4.937 10 10 JJCE Cc1nc2c(Cl)cc(Cl)cn2c1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71528089 SCTNUTUZMOSJIA-UHFFFAOYSA-N 450.281 4.977 10 10 JJCE Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 97478412 GADKUODDFJJETN-FJVWWGQZSA-N 497.580 4.824 10 10 JJCE CC(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccc(Cl)c1 586223067 JIGJQMUUTBGAAS-UHFFFAOYSA-N 453.947 4.967 10 10 JJCE CC1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586711749 BSEJZNNOFHVECH-UHFFFAOYSA-N 467.525 4.978 10 10 JJCE O=C(/C=C/c1ccco1)NCc1ccc(OC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858908806 DKCFNAMJEWHAJU-WYMLVPIESA-N 492.487 4.996 10 10 JJCE COCCCN1C(=O)C(=Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)SC1=S 2042449582 KBAKBQCLKLXHNC-UHFFFAOYSA-N 468.025 4.719 10 10 JJCE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNCc2cc(Cl)cc(Br)c2O)C1 2115644799 DMVAKAVLSVMLFI-CKSWESSHSA-N 451.764 4.541 10 10 JJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1 2293987239 UUOGUPWCJKKAMM-UHFFFAOYSA-N 489.553 4.776 10 10 JJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2296311795 AVXRTGOAHPJHTN-UHFFFAOYSA-N 489.915 4.629 10 10 JJCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c2C)c1 2297305231 ABOXYVMURNUMAC-UHFFFAOYSA-N 499.567 4.845 10 10 JJCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2297338867 XGAPMFLSMNOPPE-UHFFFAOYSA-N 495.850 4.633 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1cc(C)cc(C)c1 2297347531 FHCJRUWVKKXWRR-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CCCOc1c(Br)cc(C=C2C(=O)N(CC)N=C2c2ccc(OC)cc2)cc1OC 2332114527 NAAKZJBGZXIDCI-UHFFFAOYSA-N 473.367 4.905 10 10 JJCE Cc1ccc(CNC(=O)c2csc(Br)c2Br)c(O)c1Br 2381133831 TYNRHORPKBBQBS-UHFFFAOYSA-N 484.007 4.980 10 10 JJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1759153 JWRNFZPLWHUJBO-QURGRASLSA-N 497.617 4.963 10 10 JJCE CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N12 20114789 HNKVPFWZAMWLJQ-QNPDVEALSA-N 470.601 4.933 10 10 JJCE COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1C 59136208 HJZQSLONOJBJHP-UYRXBGFRSA-N 491.544 5.000 10 10 JJCE CCN(CC)c1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 64873040 LDECXIRKOMBJNB-UHFFFAOYSA-N 461.585 4.662 10 10 JJCE COc1ccc(N/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1 205969993 PTZYTFYNWIMMCI-XQNSMLJCSA-N 458.474 4.749 10 10 JJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3OC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 526376399 BGMNFWWIZWFRQQ-VWLOTQADSA-N 477.513 4.959 10 10 JJCE CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1O 1194745014 KCSAFEKQKAERIO-LBPRGKRZSA-N 456.764 4.623 10 10 JJCE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSc1nccs1 1705678628 JQQIWDRYIWGDCR-PMAPCBKXSA-N 459.685 4.828 10 10 JJCE COc1cc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592776 XHAZUHAHFAGXGJ-LANLRWRYSA-N 471.600 4.975 10 10 JJCE COCC(=O)Nc1cccc2c(OC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 1858775149 PCFZDYIIOBZGEN-UHFFFAOYSA-N 480.476 4.811 10 10 JJCE COCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871028494 BPDWNINFSKGBEJ-UHFFFAOYSA-N 493.604 4.819 10 10 JJCE O=C(NCc1ccco1)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 1871343027 XWDJZMSJGJTLDZ-UHFFFAOYSA-N 450.969 4.604 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1873165653 OLZZCTPGOYNEJN-DVECYGJZSA-N 463.622 4.767 10 10 JJCE CCCN1C(=O)C(=Cc2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2040470285 PSFXOQUHABBYGI-MRXNPFEDSA-N 464.616 4.787 10 10 JJCE CN(CCCCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2106882126 AYJOUGPOJDMWOA-UHFFFAOYSA-N 462.635 4.645 10 10 JJCE CCN1CCc2cc([C@@H](N)C3(COCc4ccccc4)CN(C(=O)OC(C)(C)C)C3)ccc21 2268739515 RALSZRPCAXWGSN-XMMPIXPASA-N 451.611 4.523 10 10 JJCE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296540717 JLFXVGSQELOSEU-IRXDYDNUSA-N 484.691 4.877 10 10 JJCE COC(=O)C=C1SC(N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)=NC1=O 2296887574 WMJBPIRHGNRHCD-YKSBVNFPSA-N 457.555 4.969 10 10 JJCE CC(C)[C@@H](C(=O)NC1CCCC1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580132 RPKGFDGTLLXTEC-KRWDZBQOSA-N 467.454 4.734 10 10 JJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br 2314765241 YOTLMQSXDKOLHM-UHFFFAOYSA-N 483.796 4.657 10 10 JJCE COc1ccc(N2CCN(C(=O)Cn3cccc3-c3nc(-c4ccc(C)cc4)cs3)CC2)cc1 21656769 RYRKSSNXLPOCJJ-UHFFFAOYSA-N 472.614 4.944 10 10 JJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)N(C)C3=O)o1 33337563 PTVNLIOXNXKRMY-UNOMPAQXSA-N 490.313 4.741 10 10 JJCE O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1nccs1 33932032 RBCCRQJSLYKDLI-JLHYYAGUSA-N 468.423 4.526 10 10 JJCE Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C1/CCn2c1nc1cc(C(=O)O)ccc1c2=O 40161572 JEZUNFDQAJBZKW-RAXLEYEMSA-N 467.312 4.840 10 10 JJCE CC(C)[C@@H](C(=O)NC1CCCC1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1081156899 RPKGFDGTLLXTEC-YTBHAWNYSA-N 467.454 4.734 10 10 JJCE CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)cc1 1435286509 LMGVDMBVKFOPOZ-UHFFFAOYSA-N 458.558 4.892 10 10 JJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[C@H]21 1860347539 VJHOADBYKXNTKQ-SANMLTNESA-N 454.505 4.566 10 10 JJCE O=C(/C=C/c1ccc(F)cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860563466 ZAOIZDRTBAJGEV-XNTDXEJSSA-N 491.478 4.900 10 10 JJCE Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860826562 HPOWNXXXDPBELJ-FYJGNVAPSA-N 493.610 4.654 10 10 JJCE COc1ccc(C2=NN(Cc3cccc(F)c3)C(=O)/C2=C/c2cc(OC)c(OC)c(OC)c2)cc1 1865668430 XCLKXLLJGRYQLN-LPYMAVHISA-N 476.504 4.690 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N2CCCCC2)cc1 1865861513 FHSTWVGKONRBQT-UIOOFZCWSA-N 494.680 4.532 10 10 JJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)CC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 1951851698 LBGJOHNPNNEUJG-SFHVURJKSA-N 473.525 4.803 10 10 JJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1Br 2079861438 KHPFXQIMBYNWPJ-HNNXBMFYSA-N 477.277 4.945 10 10 JJCE Cc1cc(O)c([C@@H](n2nc(C(F)F)c(C=O)c2I)C2(C)CC2)cc1C 2080054843 WHRHIPJLCAJMNM-OAHLLOKOSA-N 460.262 4.950 10 10 JJCE CN1CCCc2cc([C@@H](N)C3(NC(=O)OC(C)(C)C)CCN(Cc4ccccc4)CC3)ccc21 2163149469 JYWDCULWAPSTQS-RUZDIDTESA-N 464.654 4.628 10 10 JJCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)C[C@H]1C(F)(F)F 2279240053 GRSMURBXCNPANI-ABAIWWIYSA-N 453.299 4.575 10 10 JJCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccccc1C 2293665826 IFKNPMIXOPDQSS-UHFFFAOYSA-N 478.574 4.881 10 10 JJCE O=C1C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2296727130 VPGOQTBDQDPDOQ-UHFFFAOYSA-N 476.627 4.841 10 10 JJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 2297347563 IJJPDFTXARPWMK-UHFFFAOYSA-N 461.518 4.610 10 10 JJCE CCOc1cc(C=C2SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935203 NNJMBPAGEHLJOW-QGZVFWFLSA-N 473.572 4.742 10 10 JJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139813 VMRQRQJOJMLUAI-UHFFFAOYSA-N 463.578 4.524 10 10 JJCE COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccc(OCc4ccccc4)c3)C2=O)cc1 1149626 PCRVTNQUCVXPKN-PXLXIMEGSA-N 456.454 4.559 10 10 JJCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1O 20693792 CGTUPXZIFAKIDH-IPVFLDMMSA-N 476.598 4.748 10 10 JJCE CCn1c(N2CCCCC2)c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 33469506 CNSQOQSTXMWOQB-FYJGNVAPSA-N 496.633 4.579 10 10 JJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)c(Br)cc1O 38173452 KFGLZGNHJUYABR-JYRVWZFOSA-N 461.337 4.533 10 10 JJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1 47133735 OAHUCOGRQSRTAS-BOPFTXTBSA-N 484.628 4.763 10 10 JJCE COc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 210745754 VPRMOROPWZNZFV-HMMYKYKNSA-N 484.599 4.794 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N(c4ccc(C)cc4)[C@H]3c3cccs3)CC2)cc1 248095290 HZQNHJPUFGMLGC-RPLLCQBOSA-N 489.641 4.898 10 10 JJCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(F)F)C1 1749788236 ZYRMMKVLVUYIOR-OAQYLSRUSA-N 484.595 4.703 10 10 JJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc(C)c1-c1ccc(OCC)cc1 1860762620 LSOAXXODKDMZGJ-UHFFFAOYSA-N 466.559 4.554 10 10 JJCE CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1865871591 XNEPGYLLENLYJE-DEOSSOPVSA-N 483.653 4.906 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873163969 FXRGLLSJSSEGLX-UHFFFAOYSA-N 476.580 4.602 10 10 JJCE Oc1cccc(Br)c1Cn1nc(-c2ccccc2)cc1I 2070041108 VGKLIRJPBSOEDW-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE CCCN[C@H](c1ccc2c(c1)CCN2C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2106857566 MECXTYWXOCOXBS-ILBGXUMGSA-N 453.627 4.830 10 10 JJCE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 2294819078 CDTSMNBIGMMTEU-STVBAEQRSA-N 498.572 4.681 10 10 JJCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348230 WCVDPIKUMXNXBW-UHFFFAOYSA-N 453.480 4.529 10 10 JJCE CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)NC1=S 2313624322 PNGDWJTUZRJJHH-UHFFFAOYSA-N 458.370 4.643 10 10 JJCE CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1 27549530 RNYAPNHAMCEWIO-WZBMNHFVSA-N 456.369 4.886 10 10 JJCE CCn1c(/C=C\c2cn(C)c3ccccc23)nc2ccc(I)cc2c1=O 33248618 JITFNOKJAZZKQR-FLIBITNWSA-N 455.299 4.683 10 10 JJCE CCCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33474099 DRONYHRWFUOGPU-XMHGGMMESA-N 482.631 4.990 10 10 JJCE O=C1/C(=C/c2cccs2)SC(=S)N1CNc1ccc(I)cc1 59383831 BULKXRKJCHOPHL-JYRVWZFOSA-N 458.371 4.624 10 10 JJCE Nc1ccc(N(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 243011127 HWABLDMGYDYMNV-AREMUKBSSA-N 461.521 4.841 10 10 JJCE CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526570603 DHMLRZRTHYRASF-RUZDIDTESA-N 490.512 4.521 10 10 JJCE CC(=O)c1ccc(Nc2ccccc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1293929187 SMMFKLASLJKTKK-UHFFFAOYSA-N 457.574 4.772 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCSc1nccs1 1705483522 WVERRMKBHAWXQN-CQSZACIVSA-N 462.442 4.804 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)c(C)c4)n(-c4ccccc4)n3)CC2)cc1 1862347821 IAUFRYSFQZQGHY-UHFFFAOYSA-N 470.548 4.958 10 10 JJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1869136648 WXTYOTMHGLIZNQ-XMMPIXPASA-N 494.039 4.606 10 10 JJCE COc1ccccc1CN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873163899 BUFXOJMMALEWNT-UHFFFAOYSA-N 492.579 4.568 10 10 JJCE Oc1cc(Br)ccc1Cn1ncc(-c2ccccc2)c1I 2070267121 KKHAVQRZJSXLCQ-UHFFFAOYSA-N 455.093 4.671 10 10 JJCE COC(=O)c1c(C2CC2)nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c1I 2079983495 CENSDECIUJUAES-SFHVURJKSA-N 480.346 4.864 10 10 JJCE Cc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(I)c2)c1O 2204607510 AIXUVUFNRREXQF-UHFFFAOYSA-N 482.318 4.582 10 10 JJCE CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](O)c3sccc3Br)cc2)CC1 2286070584 AXBUWXBZZNFGEX-KRWDZBQOSA-N 453.402 4.649 10 10 JJCE CCCCN1CCc2cc(C=C3C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)ccc21 2296938853 BJYCFSKGIMFKAZ-UHFFFAOYSA-N 473.520 4.699 10 10 JJCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2314413818 INWDKCACZJQOHR-KRWDZBQOSA-N 478.643 4.657 10 10 JJCE CCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413992 MXSQHTRMSKFBSE-UHFFFAOYSA-N 485.034 4.880 10 10 JJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cc(C)c(C)cc1C 2314769407 PXOBVFADUHYSJE-UHFFFAOYSA-N 471.600 4.875 10 10 JJCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3OCC)C2=O)cc1 33417547 VTQGOQWTJFGCSB-HMMYKYKNSA-N 456.589 4.714 10 10 JJCE COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 33457337 RBZMVKYYPNBGBV-HMAPJEAMSA-N 493.610 4.668 10 10 JJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 34688454 LHWFUVWWQJWDAT-OWLAEVIISA-N 474.586 4.627 10 10 JJCE COc1cccc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2O)c1OC 59860672 RDCXJAKUUMFOPW-UVTDQMKNSA-N 459.296 4.590 10 10 JJCE COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 96475765 AKCBIRUIAJESFY-RBJHLIOGSA-N 453.480 4.529 10 10 JJCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 102683634 NKSINOVBGOHTIM-RONKMWSCSA-N 478.643 4.923 10 10 JJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 205691659 QXWWXOOTFMVFAC-BGBJRWHRSA-N 453.545 4.771 10 10 JJCE COc1ccccc1OCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205954545 GZRFYJUROCABQX-HKOYGPOVSA-N 484.581 4.998 10 10 JJCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1OCCC(=O)O 210464916 YSTOTKSSTBADBQ-MOSHPQCFSA-N 471.556 4.547 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526434003 PMRGXUQMHXQGMT-VWLOTQADSA-N 475.497 4.765 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC(C)(C)C1 1705480084 RARCBHSHXSWZGF-OAQYLSRUSA-N 458.654 4.933 10 10 JJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)CC1=O 1865925760 QUFHLLOOLAINLP-AHKZPQOWSA-N 490.692 4.574 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873166521 RIWMSPGOOZWDRM-NWVWQQAFSA-N 461.606 4.521 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OC(C)C)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421157 JSJZZDPMWHMETE-UHFFFAOYSA-N 486.616 4.635 10 10 JJCE CN(C)c1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1F 1952790418 YOXRDOXUPYKNAL-AJTFRIOCSA-N 460.505 4.730 10 10 JJCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1952825791 PILMBJLXSJFBNK-CJNGLKHVSA-N 499.155 4.702 10 10 JJCE CCOC(=O)c1c(C(C)C)nn([C@H](c2ccc(C)cc2O)C2CC2)c1I 2078982956 WMAHGODVUUKXEA-SFHVURJKSA-N 468.335 4.801 10 10 JJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NCC(C)C)nc12 2296732298 SGCHVHHJVDQLDU-UHFFFAOYSA-N 478.643 4.515 10 10 JJCE Cc1cccc(C(=O)Oc2cccc(C=C3C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)c1 2297364251 RWOJDDFKHUGJIX-UHFFFAOYSA-N 496.548 4.912 10 10 JJCE CCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1 2297469751 RGCJXXPERCUOGC-UHFFFAOYSA-N 471.970 4.794 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2314507723 LEJNWVDODKLVBI-UHFFFAOYSA-N 463.584 4.939 10 10 JJCE CCOC(=O)CCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)SC1=S 2314739519 CHNZMWSTHIHZCW-UHFFFAOYSA-N 450.585 4.844 10 10 JJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC)c(Br)c2)SC1=S 2314767976 JMIXHCPVEKIVEK-SFHVURJKSA-N 492.416 4.963 10 10 JJCE CCCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OCC 2314769319 YYUTULOBPZPIBJ-UHFFFAOYSA-N 456.589 4.729 10 10 JJCE COc1cc(Br)cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)c1O 2332124768 NUDWAPWUGTZQKN-UHFFFAOYSA-N 473.220 4.647 10 10 JJCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 8634678 WRSVJGSHMXNRIU-DEOSSOPVSA-N 453.901 4.537 10 10 JJCE C[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)C1 9642238 LEZWNDOQFAIILB-GOSISDBHSA-N 496.567 4.831 10 10 JJCE COc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(N2CCOCC2)cc1OC 20496491 BIUHTRCTFWHFEP-UHFFFAOYSA-N 486.524 4.566 10 10 JJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 33529860 ZDVXOPYMTPLODY-CPNJWEJPSA-N 480.615 4.680 10 10 JJCE Cc1ccc(C)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 47133651 KHXNBJHFOPJNNK-PDGQHHTCSA-N 482.562 4.723 10 10 JJCE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nccs3)C2=O)ccc1OC1CCCCC1 211946539 FBNDNYPMROYWDU-LDADJPATSA-N 489.644 4.703 10 10 JJCE COc1cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC 526632423 MEZWSMPCDWAFIG-QFIPXVFZSA-N 466.559 4.897 10 10 JJCE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)c(F)c(F)c1O 687738743 NSPLWNRRTMFVKA-LJQANCHMSA-N 457.404 4.864 10 10 JJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(F)cc1 1083892778 XXOYDXKEKZKTJI-BKUYFWCQSA-N 474.488 4.697 10 10 JJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084239669 LOOJTNFYINQCKU-YBEGLDIGSA-N 498.923 4.626 10 10 JJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)ccc21 1860598455 IJENYYUKGXKVPI-UHFFFAOYSA-N 496.607 4.856 10 10 JJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864009823 FPIXJUQZYSOXSU-OAQYLSRUSA-N 496.995 4.500 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3Cc3ccco3)CC2)cc1 1870484833 UQYKMZPRTNCEOX-UHFFFAOYSA-N 491.632 4.780 10 10 JJCE COc1ccc(N2CCN(c3nc(Nc4cc(Cl)cc(Cl)c4)ncc3[N+](=O)[O-])CC2)cc1 1871303587 IHKIMEBTOXJEFS-UHFFFAOYSA-N 475.336 4.770 10 10 JJCE CC[C@@H](C)N1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425130 VJNWDTARIVPJNX-MRXNPFEDSA-N 457.530 4.813 10 10 JJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCCC3)ncnc21 1873554591 RXEGDMRPNIHIBP-UHFFFAOYSA-N 490.652 4.583 10 10 JJCE Cn1ccc2ccc([C@]3(C(=O)O)C[C@@H]3NC(=O)OCC3c4ccccc4-c4ccccc43)cc21 1952695695 KTDRYFONYKTOBH-LBNVMWSVSA-N 452.510 4.812 10 10 JJCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C(=O)O)c1I 2079993879 YQBDOJRAISKVOO-AWEZNQCLSA-N 454.308 4.775 10 10 JJCE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(CN)c2I)cc1C 2080003192 JHWWEKXDFXUVBW-QGZVFWFLSA-N 453.368 4.566 10 10 JJCE COc1ccc(OCCOc2cccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)c2)cc1 2977499 SEQHCEYSCQKGNI-HAVVHWLPSA-N 458.470 4.660 10 10 JJCE Cc1cccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 15045761 PVMHKXJUGLGIRK-GPLLRDDGSA-N 461.406 4.986 10 10 JJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 20235882 CJYONJHBIOTLBN-VFWYHHDWSA-N 481.936 4.874 10 10 JJCE CCSc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1 39885917 WZWGTSPEZLMZED-RAXLEYEMSA-N 485.081 4.924 10 10 JJCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 504208067 PYCQOOQIHFELCV-XZSZPMDUSA-N 496.563 4.877 10 10 JJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1Cl 526160603 NSZYLKHYNSBDPF-DEOSSOPVSA-N 495.915 4.978 10 10 JJCE CC(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1Cl 586226127 RLLLMVVBBZQDFM-UHFFFAOYSA-N 453.947 4.967 10 10 JJCE CNc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Nc2ccccc2)c(F)c1N 1858181484 UDYOJGIPOYJHMT-DHZHZOJOSA-N 459.569 4.664 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)N2CCCCC2)cc1 1866079069 YFLPOHOZGFHFMY-QFIPXVFZSA-N 486.538 4.570 10 10 JJCE CN(C)c1ccc([C@H](CNC(=O)c2cc3cc(Br)ccc3oc2=O)N2CCCCC2)cc1 1866291957 MIRMCSWVFBXJMQ-QFIPXVFZSA-N 498.421 4.579 10 10 JJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccccc3)C3CC3)c3ccccc3)CC2)cc1 1868685441 CFZYULWQGAGSFE-PQHLKRTFSA-N 497.639 4.785 10 10 JJCE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868875921 GKRHROZKOOLXNJ-CLJLJLNGSA-N 498.067 4.866 10 10 JJCE CCCCc1ccc(Nc2nc(=NCCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871499470 WABYPNZZLNPXEI-UHFFFAOYSA-N 475.641 4.537 10 10 JJCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)c1 1873423290 BDNCDIGWHYDYPJ-UHFFFAOYSA-N 470.573 4.901 10 10 JJCE CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1=O 1873427035 FKNCKQVVHWVMOC-KRWDZBQOSA-N 454.592 4.530 10 10 JJCE Cc1ccc(CCNC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1873895020 DUDYBEYSZDLURT-SSEXGKCCSA-N 492.623 4.846 10 10 JJCE Cc1cc(O)c([C@H](C2CCC2)n2nc(C(F)(F)F)c(CN)c2I)cc1C 2080052156 JHVNLDHELDMDPH-HNNXBMFYSA-N 479.284 4.677 10 10 JJCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2205549667 QJHNIQAQGNZJBT-PUHATCMVSA-N 465.638 4.960 10 10 JJCE CC(C)CN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414798 MQXWIRYDYOUWPW-UHFFFAOYSA-N 456.637 4.542 10 10 JJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314509264 UHMVXPPZLPJMKJ-UHFFFAOYSA-N 475.551 4.790 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 9662831 LTXRSCHBSWACGA-HMMYKYKNSA-N 478.643 4.659 10 10 JJCE O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15038241 SYFLFENUSJPRIW-WJDWOHSUSA-N 492.376 4.587 10 10 JJCE COc1ccc(N2CCN(C(=O)c3cccc([C@H]4CCCN(C(=O)c5ccc(C)cc5)C4)c3)CC2)cc1 33034967 QYNXRUOXHNVLNG-MHZLTWQESA-N 497.639 4.986 10 10 JJCE COc1cccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 34683870 JRIKKBGWUDPJOY-UHFFFAOYSA-N 493.673 4.930 10 10 JJCE CCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 35190125 INBDPJLIJLKNFX-RCCKNPSSSA-N 490.654 4.567 10 10 JJCE O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 39859319 UCFCJIDJFGBTGP-XDHOZWIPSA-N 466.496 4.888 10 10 JJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1 59861052 JBUHPGPLULVHGS-UNOMPAQXSA-N 497.504 4.934 10 10 JJCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 103365528 RTHXSOWQONIRTR-MHWRWJLKSA-N 487.693 4.522 10 10 JJCE O=C1/C(=C/NCCc2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1nc2ccccc2s1 105684264 KXIYVMWBMMUHBC-NTCAYCPXSA-N 455.465 4.759 10 10 JJCE CCOc1cc(C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526141815 HGDKUCLOVKOHBN-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](c1ccco1)N(C)C 1705479191 JHWKQIBGGPOHMD-DVECYGJZSA-N 456.594 4.706 10 10 JJCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 1860073404 BRQFGLGQUOZLOE-NTUHNPAUSA-N 454.312 4.796 10 10 JJCE COC(=O)c1c(NC(=O)CC[C@@H]2CCCN2)sc(C)c1-c1ccc(Br)cc1 1866258347 VSTAZPWQWMSNTM-HNNXBMFYSA-N 451.386 4.743 10 10 JJCE CCCOC(=O)COc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871233584 DAPDRPBHIIKDFH-UHFFFAOYSA-N 493.604 4.963 10 10 JJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2296545456 RXOFZHDSQIVZEG-UHFFFAOYSA-N 479.583 4.614 10 10 JJCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C1 2296717924 NIWDLKDUEOIFOW-IAGOWNOFSA-N 482.675 4.711 10 10 JJCE N=C1C(=Cc2ccccc2OCCOc2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN12 2297335255 KPIAGFBZMNNZAR-UHFFFAOYSA-N 468.538 4.812 10 10 JJCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 2297458187 JKYCOTMHTXGPCE-UHFFFAOYSA-N 451.331 4.687 10 10 JJCE CC(C)(C)Oc1ccc(C=C2SC(=S)N(NC(=O)c3cc(O)nc4ccccc34)C2=O)cc1 2297497687 CCTIXOPJQIERCE-UHFFFAOYSA-N 479.583 4.664 10 10 JJCE CCOC(=O)c1cccc(N2NC(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1 2313543713 CWRQVAUQSRILPU-UHFFFAOYSA-N 499.954 4.981 10 10 JJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1C 2313548536 XQMUSWPHFVSVFZ-UHFFFAOYSA-N 457.324 4.520 10 10 JJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314831950 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CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2296717929 NPKUFIZNSVQWBT-IRXDYDNUSA-N 470.664 4.568 10 10 JJCE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2296882368 QTTRILPZEADEEV-UHFFFAOYSA-N 477.589 4.762 10 10 JJCE CCOc1ccc(Br)cc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 2314769466 QWHLYXQTHKQUKG-QGZVFWFLSA-N 478.389 4.875 10 10 JJCE Cc1ccc2nc(NC3CCC(C)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 33489175 HSODMLLZDMFASY-WQRHYEAKSA-N 456.637 4.603 10 10 JJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)o2)c(Br)c1 40567500 DKYWXYYHKJRLNT-DHDCSXOGSA-N 452.351 4.693 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3ccc(OCc4csc(C)n4)cc3)CC2)cc1 108429003 ZRMFWWXPMGNLSE-AWNIVKPZSA-N 463.603 4.791 10 10 JJCE COc1ccc(N2CCCN(C(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4F)n3)CC2)cc1 108429356 UPFYTTUDRDLQAX-MDWZMJQESA-N 494.592 4.728 10 10 JJCE Cc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526389596 SPQORNMNUKCLEM-MUUNZHRXSA-N 482.628 4.870 10 10 JJCE COc1cc(F)cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1O 687735572 AGSXPWZAVRBLQF-NRFANRHFSA-N 451.450 4.594 10 10 JJCE CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1 1084065361 FJFSRAKTYKRDSS-MOSHPQCFSA-N 475.526 4.865 10 10 JJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C)c1 1084242495 HIASWMRWUBYVMM-ZHZULCJRSA-N 490.556 4.943 10 10 JJCE CN(C)c1ccc([C@@H](NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c2nccn2C)cc1 1866104751 FLEGNPPPKRXLPZ-XMMPIXPASA-N 472.976 4.890 10 10 JJCE CC(C)(C)OC(=O)N(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1cccnc1 1868175037 BIPHEMFNRNOGHO-UHFFFAOYSA-N 485.540 4.623 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](c5ccco5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869085951 NMOLQGOVSVWWBZ-XMMPIXPASA-N 495.627 4.990 10 10 JJCE CCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871024025 RFJSMTOGOUIQGH-UHFFFAOYSA-N 476.606 4.847 10 10 JJCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOCC)C1=O 1873168343 RWMWRRLNQJRQMM-UHFFFAOYSA-N 451.611 4.771 10 10 JJCE [N-]=[N+]=NCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 2065316108 QPYPCZZYILJBEM-UHFFFAOYSA-N 489.513 4.653 10 10 JJCE CC(C)(C)OC(=O)N[C@H]1CCCCCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163122196 XNNVZKLIFBKGIO-SFHVURJKSA-N 474.646 4.836 10 10 JJCE CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1ccc(Cl)cc1 2293140402 IMNBSEVXEATPTG-UHFFFAOYSA-N 494.978 4.984 10 10 JJCE Cc1ccc(OCCOCCOc2ccc(Cl)cc2C=C2SC(=S)N(C)C2=O)cc1 2293370103 WUUUUSUPHXEBSZ-UHFFFAOYSA-N 464.008 4.954 10 10 JJCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OCc1ccc(C)cc1 2293509207 SFRQAQGHFPXEGZ-UHFFFAOYSA-N 485.363 4.594 10 10 JJCE O=C(O)CN1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 2294732779 OLZVBHXSBXOAJU-UHFFFAOYSA-N 454.356 4.858 10 10 JJCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 2295924244 HIAOTRJVQZHDIR-UHFFFAOYSA-N 452.557 4.561 10 10 JJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1OC 2296052847 AGSLFHPSSJXEIL-UHFFFAOYSA-N 499.397 4.565 10 10 JJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Br)cc4C)o3)C2=O)cc1 2313549406 VLJZYJDIWIYKSM-UHFFFAOYSA-N 481.302 4.693 10 10 JJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468496 QEFIMCBGTKFIDD-LZCXECNNSA-N 482.602 4.622 10 10 JJCE O=C(CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)Nc1ccc(O)cc1 15035921 DAEIDNVUALTJLQ-HMAPJEAMSA-N 476.579 4.811 10 10 JJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15039978 IYKDBILSMBXUHN-ATVHPVEESA-N 460.964 4.658 10 10 JJCE COc1ccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c(C(=O)O)c1OC 16906193 OCQNGDOZMBMKMD-LDADJPATSA-N 451.525 4.961 10 10 JJCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3[C@H]3C=CC[C@@H]32)cc1O 36551102 ZFENHQYUHOMORS-NOMHHCBYSA-N 474.582 4.979 10 10 JJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526328994 RMZFMHDNQUFDKJ-DEOSSOPVSA-N 463.486 4.571 10 10 JJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526515882 PYVRLYLWJNWXGA-RUZDIDTESA-N 489.524 4.976 10 10 JJCE CC(=O)c1cccc(NC(=O)CN(CC(=O)Nc2cccc(C(C)=O)c2)c2ccc3c(c2)CCC3)c1 914867515 XCMOAEIVKRVANT-UHFFFAOYSA-N 483.568 4.664 10 10 JJCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 1857996932 PEWQVQZYRSUQOW-UHFFFAOYSA-N 469.469 4.587 10 10 JJCE COC(=O)c1c(NC(=O)Cn2cccc(Br)c2=O)sc(C)c1-c1ccc(C)c(C)c1 1865786319 VWUWHDJMXLSVIM-UHFFFAOYSA-N 489.391 4.690 10 10 JJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991565 CUMWVKKUYUTQEW-NRFANRHFSA-N 473.621 4.866 10 10 JJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3ccccc3)CC2)cc1 1870467365 VQOVJCQLRGOKNY-UHFFFAOYSA-N 495.623 4.806 10 10 JJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873421210 LXWJIXKHEUCWJH-UHFFFAOYSA-N 480.971 4.640 10 10 JJCE Cc1ccc(OCCn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 2296397996 LTLBSBKAERQJHJ-UHFFFAOYSA-N 463.921 4.504 10 10 JJCE O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 2296925710 WGVRSOQZOKDYNN-UHFFFAOYSA-N 467.500 4.533 10 10 JJCE