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511.332 4.916 5 1 KJBF Cc1c(C=O)c2ccccn2c1[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732148 XJJQONCJZWIHKO-NVQXNPDNSA-N 507.468 4.906 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 4056009 KCKGYULONVJSGH-ZCYQVOJMSA-N 525.945 4.552 5 1 KJBF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587257925 UBQNMSOPITVIEH-SYDKPQTESA-N 823.938 4.856 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1 961953092 RCIVVRJVZRLNQN-NGCAANIMSA-N 632.677 4.601 5 1 KJBF COc1ccc2c3c1O[C@@H]1[C@]34CC[N@+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccoc1)C2 1772645208 ZNGUXEXPGATVLB-CVZSVTQOSA-N 506.663 4.874 5 1 KJBF COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 772645 DHUCPCIPDZEWKD-VPUSJEBWSA-N 569.998 4.733 5 1 KJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587270797 PPBPZLANPSIEFN-SFHVURJKSA-N 505.478 4.533 5 1 KJBF COc1ccc(Cc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(O)c2I)cc1OC 653705363 ZGLFDQFUINWPPQ-UHFFFAOYSA-N 539.351 4.595 5 1 KJBF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 4154217 HGODUTJYTQHRLM-LMSSTIIKSA-N 563.607 4.860 5 1 KJBF COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134599 DEAUWKVTTSTOOI-HTAPYJJXSA-N 505.575 4.990 5 1 KJBF COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCc3ccccc3)c2cc1OC 105115954 WZTAHXWDERVINQ-UHFFFAOYSA-N 570.650 4.871 5 1 KJBF CC[C@@]12C[N@@+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 299808523 OQIDYYPJIGSADF-ZMZUJHCHSA-N 824.972 4.715 5 1 KJBF CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587665079 LBXHUTBOQJEOIC-SFHVURJKSA-N 516.554 4.940 5 1 KJBF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 963223429 ARYUJCSQYRZEPV-NLFFAJNJSA-N 516.466 4.540 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 587273033 CSMSUSQMTOIUTC-OAHLLOKOSA-N 609.551 4.890 5 1 KJBF CN1C(C)(C)CC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1(C)C 96939888 JTCVAVQLAMMQOH-UHFFFAOYSA-N 510.547 4.835 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3cc21 587263039 JMEGRJOCMDBVKS-UPKQVVFYSA-N 625.590 4.642 5 1 KJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 13878909 HMNVBBZRQSHGFH-SANMLTNESA-N 514.557 4.817 5 3 KJBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4206911 RFYHTGXXPDIZQG-NOZRDPDXSA-N 527.936 4.855 5 1 KJBF O=[N+]([O-])c1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O 40781704 WLDPZRVMYUESRE-NMNUPHIUSA-N 513.348 4.834 5 1 KJBF COc1cc2c(=O)oc3c(OC)c(-c4cc5c(=O)oc6c7c(cc8c(=O)oc(c4OC)c5c68)OCO7)cc4c(=O)oc(c1OC)c2c34 95485956 KTWROYHQGKXSKB-UHFFFAOYSA-N 638.493 4.724 5 1 KJBF biogenic,in-vitro CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O 253655958 NFPKWCXLFZKXLR-DTJRFZKFSA-N 818.921 4.749 5 1 KJBF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619976 MUZOXFJLFDSPAO-UHFFFAOYSA-N 575.502 4.510 5 1 KJBF Cc1cc(-n2cnc(C[C@@]3(C)c4c(cc([N+](=O)[O-])c(O)c4[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)n2)no1 963233424 JTQNVPHWRWCWLG-JQJBXXCASA-N 681.618 4.804 5 1 KJBF COc1cc2cc(Cn3cc(COc4ccc5c(c4)OCO5)nn3)c3cc(OC)c(OC)cc3c2cc1OC 1772657872 MRVLRKICLXIKQW-UHFFFAOYSA-N 529.549 4.975 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 767558 UTKHLZXEFRYYGQ-ILBGXUMGSA-N 509.946 4.716 5 1 KJBF CCC(CC)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(CC)CC 95541737 RKZZZTRIJWEZHL-SVBPBHIXSA-N 747.824 4.735 5 1 KJBF CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 254004995 TUALQYYQCKHTLD-AUZDPMERSA-O 608.115 4.514 5 1 KJBF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(F)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586913004 PQPXZLDYHUWBOC-UTKBJGKPSA-N 631.742 4.515 5 1 KJBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267636 NZGMAVPBHRDARG-UHFFFAOYSA-N 612.672 4.598 5 1 KJBF Cc1nn(CCC(=O)O)c(C)c1[C@@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225698 AZDZXXCANYNOQI-ABYGYWHVSA-N 671.619 4.846 5 1 KJBF CC(C)(C)n1nnnc1[C@H](NCCNc1ccnc2cc(Cl)ccc12)c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 95590262 DRNDJPCKZDMODY-WXVAWEFUSA-N 633.113 4.503 5 1 KJBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920872 ZXRKAGATKLECEF-UHFFFAOYSA-N 522.436 4.855 5 1 KJBF NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3cc4ccccc4cc3c2=O)cc1 1857643801 PMXWSTAKMBWAFU-UHFFFAOYSA-N 551.049 4.571 5 1 KJBF CN1CCC[C@H]1COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104964965 ZTKSVKYRMVTDAK-LADGPHEKSA-N 609.705 4.551 5 1 KJBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 587172745 KXYNVYMMSSQIQF-UHFFFAOYSA-N 555.408 4.831 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)F)c2c1 587620011 OCTHOLCOLNGSBQ-UHFFFAOYSA-N 545.476 4.729 5 1 KJBF O=C(C[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21)Nc1ccc([N+](=O)[O-])cc1 962926756 VCHCGQPXCMREHO-BHBYDHKZSA-N 539.544 4.964 5 1 KJBF CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 4046246 PYGFCBZBBJAOOT-ZCYQVOJMSA-N 572.496 4.696 5 1 KJBF CCOC(=O)C1=C(COCc2cccnc2)N=C(COCc2cccnc2)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 27707282 KNUFVDABBAZXEW-MCKMWFOCSA-N 588.617 4.980 5 1 KJBF Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2[N+](=O)[O-])c1 587299662 XTBIUZFAWGRVRY-ZDRCRRGJSA-N 715.708 4.770 5 1 KJBF O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587340330 HBMODDMQALGCID-RNWIMVQKSA-N 525.444 4.985 5 1 KJBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@]2(c3ccccc3-c3nc4ccccc4nc32)[C@H]1c1ccc(Br)cc1 1911583933 NISMCMVQGSIUDA-QRDRLETPSA-N 553.420 4.983 5 1 KJBF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055302 UDUDQQSEYQGJDQ-UPVQGACJSA-N 511.893 4.567 5 1 KJBF CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cccc12 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NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 13878890 MGYPVBZDWCQLOG-AREMUKBSSA-N 514.557 4.817 5 3 KJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 4052502 NSSFYSARZTXEPN-UPVQGACJSA-N 545.470 4.919 5 1 KJBF CCCS(=O)(=O)N1CCC(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 586953590 VIQWKDSKZKZTSM-UHFFFAOYSA-N 561.616 4.764 5 1 KJBF CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@]1(CCC2)c2ccc(F)cc2C[C@H]2CCCN21 963102885 NROCFPIQAAQHFA-OGQCEUPSSA-N 519.573 4.935 5 1 KJBF COc1c(OC[C@H](O)C[N+](C)(C)C)cc2oc3cc(OC[C@H](O)C[N+](C)(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 1772643093 NDCHAOJYDOOBQE-JWQCQUIFSA-O 642.834 4.570 5 1 KJBF COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(Cl)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 1857559942 OZNXNCRWVNCHCW-HRFSGMKKSA-N 587.504 4.990 5 1 KJBF CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC 772611 XKTSBPNHSKRWHT-VPUSJEBWSA-N 567.982 4.835 5 1 KJBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920817 ZIXPTPLDJSEJPM-UHFFFAOYSA-N 504.446 4.716 5 1 KJBF CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587390543 RECGMZHZVXKAIQ-UUPLDMHLSA-N 500.507 4.644 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]12C(Cl)=C1Oc3cc([N+](=O)[O-])ccc3N=C1c1ccccc12 961953473 SNXPYINCKIYWIU-IAQPGQJMSA-N 678.101 4.507 5 1 KJBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 4078200 VVENHAJOZORSTO-NOZRDPDXSA-N 510.953 4.904 5 1 KJBF O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc(Br)nn1-c1ncccc1Cl 103289824 JVRLGYIEXUGOJB-UHFFFAOYSA-N 501.522 4.606 5 1 KJBF COC(=O)[C@@H]1[C@H]([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)C1(F)F 963218124 GCCPPBAOGTVHAY-IGABQKFOSA-N 639.520 4.564 5 1 KJBF O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96940103 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540.554 4.632 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587267124 UHUHGPWPEJLGBL-UHFFFAOYSA-N 616.853 4.516 5 1 KJBF CCN(CC)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+]3(C)CCOCC3)cc12 1772590601 OQZNHCYXZZYQIH-UHFFFAOYSA-N 505.683 4.566 5 1 KJBF O=[N+]([O-])c1ccc(COc2ccccc2Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1 1857590599 IJVXMZINNTZENM-UHFFFAOYSA-N 518.526 4.665 5 1 KJBF C[C@H](CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC(=O)N[C@H](CCCN)C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 2356703695 PPFISAQUKQQDHW-WJQCRHTCSA-N 676.851 4.592 5 1 KJBF CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC 769139 RCFGBSNKRUPTBF-VPUSJEBWSA-N 567.982 4.835 5 1 KJBF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208415 NIICJUMFAVLKPP-UCFCWBNQSA-N 514.365 4.713 5 1 KJBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(F)c([N+](=O)[O-])c1 96937416 IMEMUULEGPGPKE-UHFFFAOYSA-N 513.457 4.994 5 1 KJBF 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O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CCC[C@@H](C(=O)O)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963239241 ORRKRUGGUVEZAP-IVRRUYAFSA-N 617.567 4.939 5 1 KJBF COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(C(F)(F)F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 1857566284 FGDIIHAQOMAUNJ-JIPXPUAJSA-N 586.611 4.702 5 1 KJBF O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4080943 OMXBLFLYHFCTOT-UPVQGACJSA-N 511.893 4.567 5 1 KJBF CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccc([N+](=O)[O-])cc3)C(=O)O[C@]12C 95615386 PBKLCFHKRDHRMJ-JBSIADLXSA-N 746.899 4.544 5 1 KJBF CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 96142424 WRZIFDSAAJXGLF-DPQQAJDOSA-O 575.859 4.575 5 1 KJBF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1Cl)(C(C(=O)OCC)C(=O)OCC)CC2=O 587463454 XAZVYEGGDYUJHO-RUZDIDTESA-N 519.934 4.509 5 1 KJBF CCOc1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c(=O)c3ccccc23)cc1OCC 587670977 XIGBIOWBFCHNJU-UHFFFAOYSA-N 606.657 4.510 5 1 KJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587750897 KIHNGGHOTTUDCB-APXPCNQMSA-N 511.303 4.565 5 1 KJBF CC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 653788950 IGJWJUSLCTWOTR-JOCHJYFZSA-N 529.475 4.673 5 1 KJBF CCCNC(=O)c1ccc(N2CCC3(CC2)CC(c2cccc(Br)c2)=NO3)c([N+](=O)[O-])c1 15924606 UAYTWONHWMIRQZ-UHFFFAOYSA-N 501.381 4.661 5 3 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(O)c3F)c2c1 587619551 KJRZFIVXQKLYPP-UHFFFAOYSA-N 516.463 4.614 5 1 KJBF COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 169329111 IOTVBWKKWWEUBX-IBGZPJMESA-N 585.953 4.635 5 1 KJBF Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1 5884271 GCSBLYZTGOQVPI-UHFFFAOYSA-N 514.442 4.723 5 1 KJBF biogenic,in-vitro CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 104955976 BAMLAEDAIRYTCF-LJQANCHMSA-N 522.505 4.688 5 1 KJBF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587665073 LBXHUTBOQJEOIC-GOSISDBHSA-N 516.554 4.940 5 1 KJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962636127 YEHSKTAWHZSGGY-CUNXSJBXSA-N 510.543 4.632 5 1 KJBF CC1CCN(CCC(=O)Nc2ccc3c(=O)c4ccc(NC(=O)CCN5CCC(C)CC5)cc4[nH]c3c2)CC1 28386147 JNIWLUAMXOOFPV-UHFFFAOYSA-N 531.701 4.802 5 1 KJBF O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104960979 JABVVIHUYUBLHG-OAQYLSRUSA-N 522.608 4.660 5 1 KJBF NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263648 YGYUGRBADXXKNA-UHFFFAOYSA-N 528.285 4.615 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2c1 587621339 UFENFQHUBULGMA-UHFFFAOYSA-N 563.592 4.795 5 1 KJBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 774544 HRIMHTVGASOFSX-FUHWJXTLSA-N 501.923 4.621 5 1 KJBF CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc3nc4ccccc4nc3c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 27212869 GCPNDGGYSBOFCL-ICJLEBMSSA-N 618.731 4.949 5 1 KJBF O=C1COc2c(cc(Cl)cc2[N+](=O)[O-])N1Cc1nnc(-c2ccc(C(F)(F)F)cn2)n1CCC(F)(F)F 71410655 UOSRJAOUANPBAN-UHFFFAOYSA-N 550.803 4.799 5 1 KJBF C[C@@]1(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc([nH]2)[C@H]1CCC(=O)O)[C@](C)(CC(=O)O)[C@H]5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O 2356812582 BKDMYXHMWLSIDL-WBBRLPBBSA-N 862.842 4.694 5 1 KJBF CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC[N+]1([O-])CCOCC1)C(C)C 95545791 NQWDFBBAJJYDSQ-LSLOANPCSA-N 802.111 4.687 5 1 KJBF CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 101048202 QPIVWEONKJJPRQ-DNQXCXABSA-N 519.476 4.711 5 1 KJBF CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 101049488 YEKRNFSCNXCMCY-BJKOFHAPSA-N 519.476 4.711 5 1 KJBF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 586951836 BFHKLRNIPCCPHH-SEYXRHQNSA-N 635.706 4.957 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587698366 VDOVFOLBYPNBBE-SFDCACGMSA-N 557.800 4.670 5 1 KJBF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc([N+](=O)[O-])cc1 653864090 XRDYVJZPNMJSMM-OMFHPYTQSA-N 581.574 4.866 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 961785864 MLKHMTOBXXUXQH-HYPZGNBFSA-N 734.547 4.559 5 1 KJBF N=C(c1ccccn1)N(N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 14969174 JXNSHOQPZAVURB-UHFFFAOYSA-N 516.750 4.632 5 1 KJBF CCCCc1nnc([S@](=O)Cc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27657950 YRUYOXTUVASEKM-KDXMTYKHSA-N 542.625 4.732 5 1 KJBF CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)n1 36143763 FUEVUGLKWBFQGP-DEOSSOPVSA-N 537.665 4.950 5 1 KJBF COCCN(CCOC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2c(C)cc(=O)oc12 101147232 QBCUNKYHHPBDLX-UHFFFAOYSA-N 557.599 4.976 5 1 KJBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(=O)[C@H]3CC[C@@H](COc4ccc([N+](=O)[O-])cc4)CC3)c(F)c21 103028203 JAIUTGUZLLRXAA-SHTZXODSSA-N 529.496 4.730 5 1 KJBF O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 587280554 ZXAJJMUFRAHYJT-UHFFFAOYSA-N 511.459 4.925 5 1 KJBF O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587653001 AZAGSPBBWWLXIT-UHFFFAOYSA-N 537.866 4.825 5 1 KJBF Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587953956 XBUPYXHVSBGPHY-VXKWHMMOSA-N 537.912 4.950 5 1 KJBF O=C(NCc1ccccc1C(F)(F)F)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 17307122 SZCXUFFUGMPRJU-BVAGGSTKSA-N 524.499 4.535 5 3 KJBF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621644 YQLDNYICZRLQTG-MRXNPFEDSA-N 588.639 4.787 5 1 KJBF CCOC(=O)c1csc(Nc2nc(Nc3ccc(C(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)ncc2[N+](=O)[O-])n1 1857590911 DTPNHENNFCWBAA-UHFFFAOYSA-N 583.651 4.602 5 1 KJBF Cn1ccc(C(=O)N[C@H]2CCCCCC=C[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5cc(OC(F)(F)F)ccc5c5ccc(F)cc45)CN3C2=O)n1 1857757493 QPBWLPBIWMIJKU-SNLBYTMUSA-N 869.895 4.700 5 1 KJBF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc([N+](=O)[O-])ccc1F 36330281 WSCOXSNJXMBLQJ-UHFFFAOYSA-N 584.474 4.795 5 1 KJBF Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 49722657 RBGNXJHKDGUQME-XMMPIXPASA-N 578.629 4.501 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587744244 COIFUKBGLKMGNP-FATZIPQQSA-N 520.399 4.900 5 1 KJBF O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1 38140552 CPDYZQONKYSPIH-FYYLOGMGSA-N 553.344 4.852 5 3 KJBF aggregator CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 98085092 IXJLONHJTYRZEZ-XPCGLTFESA-N 548.983 4.575 5 1 KJBF COc1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)ccc1Cl 587617805 KCKVPLNHROTFKZ-UHFFFAOYSA-N 545.957 4.842 5 1 KJBF Cc1c(C=O)c2ccccn2c1[C@@]1(c2cccc([N+](=O)[O-])c2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963132520 BPYYAWFOBHGBNF-DWACAAAGSA-N 562.604 4.963 5 1 KJBF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC 2356857240 XYWWMPMLCMSXER-RCTAOEEJSA-N 560.688 4.934 5 1 KJBF CN(CCNc1ccc2ncn3c4ccccc4c(=O)c1c23)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23 3939080 HAWXDNUKMOLILE-UHFFFAOYSA-N 553.626 4.647 5 1 KJBF CC(C)Cc1ccc([C@@H](C)c2nnc(SCc3cn(CC(=O)Nc4ccccc4[N+](=O)[O-])nn3)o2)cc1 1772586575 YRMKSHBNCIUKQK-QGZVFWFLSA-N 521.603 4.851 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@H]3[C@@H]4C=C[C@@]2(O[C@@H]2[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)O[C@](O)([C@H](O)C4)[C@]23O)[C@]2(CC[C@@H]3CCC[C@@]32c2ccc(O)cc2)[C@@H]1O 2356373143 SVLVLYSCCAWTFW-WJTQTZTQSA-N 828.959 4.835 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@@H]3CC[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CCC[C@@]52c2ccc(O)cc2)[C@H]1O)[C@@]34O 2356768809 RVTRULWXEZNVMX-GYRZULGWSA-N 804.937 4.669 5 1 KJBF CCNCOc1cc(OC)c2c3c1ccc1cc4c(c(c13)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 85567579 HRHJHPRRZPVCNC-JRPXNJEYSA-N 531.605 4.978 5 1 KJBF biogenic,in-vitro C[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@H](CC[N@+]8(C)C/C7=C/CO)[C@H]6N(c6ccccc6)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 261151017 OYEREZMILAMQAG-SXPZUVHPSA-N 616.850 4.824 5 1 KJBF Cc1cc2[nH]c(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] 587218920 ACQFRIARKRRRAO-KYJUHHDHSA-N 634.693 4.661 5 1 KJBF CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 587663602 MLEPDQAQVQWRFI-UHFFFAOYSA-N 548.600 4.629 5 1 KJBF CC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(=NCCCNc4ccc([N+](=O)[O-])cc4)[nH]3)cc2)CC(C)(C)N1[O] 1857571008 RQIUEKNTASMCJL-UHFFFAOYSA-N 579.657 4.700 5 1 KJBF O=C(O)c1cn(C2CC2)c2nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O 28867389 RQVSRGBYDLQANW-RUZDIDTESA-N 560.010 4.903 5 1 KJBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCNc2ccc3ncn4c5ccc(F)cc5c(=O)c2c34)CC1 150542838 BMXQUTWVFTVEGS-UHFFFAOYSA-N 661.694 4.745 5 1 KJBF Nc1nc(Cl)c([C@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(N2CCCC2)n1 963018952 LVZVRPKIFWWDKE-AHWVRZQESA-N 566.065 4.550 5 1 KJBF COc1cc2c(c(O)c1[C@H]1c3cc4c(c(O)c3O[C@H]1C(C)(C)O)c(=O)c1cccc(O)c1n4C)c(=O)c1ccc(OC)c(OC)c1n2C 2356646616 JDGHTURBZYYQPU-JEHQLEFQSA-N 654.672 4.503 5 1 KJBF CC(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O 43587306 FHMFQDNNWCBRRK-DCEDVJGZSA-N 525.403 4.884 5 1 KJBF Cc1c2c(nn1-c1ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C 103275955 XRQHOUPCMHGCST-UHFFFAOYSA-N 539.577 4.601 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587573767 CXMDREQDUAZNGY-RPLLCQBOSA-N 518.522 4.783 5 1 KJBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] 299824658 BHVMHOUHHAONSX-UHFFFAOYSA-N 508.428 4.974 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(CC(=O)O)c2c1 587621773 ZOSDWIDNIXYILR-UHFFFAOYSA-N 607.382 4.784 5 1 KJBF COc1ccc2c(c1OC)[C@@H](c1ccc([N+](=O)[O-])c(Br)c1)N(C(=O)c1ccccc1N)CC2 963133291 ARHPDXRGDRWDOI-JOCHJYFZSA-N 512.360 4.745 5 1 KJBF COc1ccc2c(c1OC)[C@@]1(CCc3cc([N+](=O)[O-])ccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795017 AKNPGOOAVRVXIW-LJAQVGFWSA-N 511.534 4.551 5 1 KJBF C[C@@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 263591732 LELUGRSMNJDWHW-ZBLYBZFDSA-N 531.657 4.700 5 3 KJBF COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 4081328 ORJFLYOEDKYXHD-BDYUSTAISA-N 569.998 4.733 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587668542 DDXKPNPJLGSOFX-FQEVSTJZSA-N 505.531 4.566 5 1 KJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] 587873184 WLXABYNUYDUEJS-UHFFFAOYSA-N 512.519 4.795 5 1 KJBF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@H]1c1cc(C(=O)OC)cc([N+](=O)[O-])c1 962992061 XVVQJPKHENMFKO-MHZLTWQESA-N 552.967 4.799 5 1 KJBF O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)[C@H]1CCc2ccccc2C1 253634100 OJLYLHSLPXZUCU-WATLYSKOSA-N 535.666 4.754 5 1 KJBF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587579435 ZYIYJEFKXZLRFE-RCZVLFRGSA-N 503.467 4.928 5 1 KJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 4215540 UTAPATHPUUORMV-YRUKQIKQSA-N 548.637 4.752 5 1 KJBF CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c4nc4ccccc4c6[nH]n5CCN(C)C)ccc1c32 28458102 IXKMQXWLWVIJPI-UHFFFAOYSA-N 725.902 4.870 5 1 KJBF CC(C)(C)C(=O)CN1C(=O)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 13760930 LNHBBGWNSQZZEL-RUZDIDTESA-N 513.554 4.542 5 1 KJBF CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O 95607391 NFPKWCXLFZKXLR-SFOBCYDOSA-N 818.921 4.749 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 587750865 JXZCBQNSMLSXAM-NSHDSACASA-N 512.291 4.775 5 1 KJBF COC(=O)[C@@H]1[C@H]([C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)C1(F)F 963218126 GCCPPBAOGTVHAY-KELGSRBJSA-N 639.520 4.564 5 1 KJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 13878885 MVEALVRUYYSUMC-SANMLTNESA-N 512.566 4.514 5 3 KJBF 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CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(c3cc(O)ccc3C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1O2 963668679 QYDRZIQKZYDYPC-IAQPGQJMSA-N 672.735 4.504 5 1 KJBF CC(=O)c1ccc2c(c1)[C@@H](c1cc(Br)ccc1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962620997 IMCBLONBEZWLOR-PMACEKPBSA-N 519.348 4.896 5 1 KJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962673366 UNFCCQXJHADQNY-GGXMVOPNSA-N 512.566 4.952 5 1 KJBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774657 HEFANMQVKSDUEK-DYVFJYSZSA-N 503.939 4.724 5 1 KJBF O=c1/c(=C/c2c[nH]c3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 299824324 AMPHKLRMFIXTDR-SUAMDDGLSA-N 504.571 4.708 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(F)c3)c(CC(=O)O)c2c1 587620702 YZEGYLAXDNVUER-UHFFFAOYSA-N 533.921 4.972 5 1 KJBF COc1c(OC[C@H](O)Cn2ccnc2)cc2oc3cc(OC[C@H](O)Cn4ccnc4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 1772639408 CAEYHMPTAZYXCW-JWQCQUIFSA-N 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O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@H](c2cnn(-c3cnccn3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963243091 ZOZOJTJACXAMKC-LBNVMWSVSA-N 649.576 4.534 5 1 KJBF CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4155152 CYEPUSYUYYGEQO-PQHLKRTFSA-N 593.633 4.869 5 1 KJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 4320539 RBLBSVSUMLPKJY-UHFFFAOYSA-N 563.563 4.932 5 1 KJBF Cc1c(O)ccc2c1[C@](c1ccc(Br)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)N[C@H](C(=O)O)C2 963554304 UCIRQAHMTOIKOT-AVRWGWEMSA-N 538.354 4.591 5 1 KJBF CCCc1c(OCCCCCOc2cc3c(cc2[N+](=O)[O-])CC[C@@H](C(=O)O)O3)ccc(C(C)=O)c1O 29544651 NIRYJCLULPVMPA-QFIPXVFZSA-N 501.532 4.862 5 1 KJBF CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 95562653 VJTPWZBBLMLRGU-LJAQVGFWSA-O 565.735 4.559 5 1 KJBF CN1CCC[C@@H]1COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104964959 ZTKSVKYRMVTDAK-ISKFKSNPSA-N 609.705 4.551 5 1 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UNFCCQXJHADQNY-UHSQPCAPSA-N 512.566 4.952 5 1 KJBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=N1 98082813 BWHJXBLEFZDFMP-XPCGLTFESA-N 548.983 4.575 5 1 KJBF CO[C@@H]1[C@H](N(C)OCOC(C)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 196053978 BFRBLQYPYHCFPY-BJZBFFFZSA-N 554.603 4.519 5 1 KJBF Cc1cc2[nH]c(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] 587218925 ACQFRIARKRRRAO-XZWHSSHBSA-N 634.693 4.661 5 1 KJBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587298574 PEEQRRFSSPSINL-BMIICREMSA-N 769.756 4.845 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2c1 587621070 MYYWMWRBMHRJQB-UHFFFAOYSA-N 542.526 4.786 5 1 KJBF Cc1ccccc1CNc1ccc([C@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 13878949 PBFPJSDKWGLMON-NRFANRHFSA-N 511.376 4.624 5 3 KJBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 103219736 XHCINBKJZFECHM-QGZVFWFLSA-N 508.298 4.629 5 1 KJBF O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1 299839805 ZINPZOSVMGDDTG-UHFFFAOYSA-N 633.540 4.891 5 1 KJBF Cc1nn(Cc2ccccc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] 587657512 YJRKLTFDFDCICM-UHFFFAOYSA-N 515.476 4.800 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587744251 COIFUKBGLKMGNP-PSLXWICFSA-N 520.399 4.900 5 1 KJBF Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])c1 13878854 FIFHKOCKLQXNEM-OAQYLSRUSA-N 511.376 4.624 5 3 KJBF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=O)c6cccc([N+](=O)[O-])c6)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 95543404 YQWGFIYNYFYBQJ-AHCVBTFASA-N 724.892 4.884 5 1 KJBF O=C(N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)O)OCc1ccccc1 587204204 VYVVTISUMNTQSK-RUZDIDTESA-N 593.548 4.767 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 4153953 BAKDOUIKXRUREB-ILBGXUMGSA-N 509.946 4.934 5 1 KJBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4206909 RFYHTGXXPDIZQG-ILBGXUMGSA-N 527.936 4.855 5 1 KJBF Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 95612882 MUDWHYIJGIKXCZ-LJAQVGFWSA-N 748.798 4.813 5 1 KJBF CC(=O)N1N=C(c2ccc(I)cc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798261 WUZJUVCMTGFTDE-IQMFZBJNSA-N 601.401 4.647 5 1 KJBF COC(=O)CCN1C=C[C@]2(N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c2cc(OC)ccc21 963011499 GVMFQPPMXVVGQC-SVXHESJVSA-N 600.675 4.983 5 1 KJBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 772379 PBYOINCRVGKIHF-SHQCIBLASA-N 569.998 4.733 5 1 KJBF CS(=O)(=O)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927771 WDGFZKQKVXNCAO-UHFFFAOYSA-N 509.563 4.720 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587670263 UCGITHMUZLZYFV-QGZVFWFLSA-N 503.511 4.877 5 1 KJBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341055 XUSCRBZUZZMFJA-BJWTXYQKSA-N 553.539 4.516 5 1 KJBF CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)c1C 587617440 FTHKXURKHKEXNY-UHFFFAOYSA-N 551.503 4.822 5 1 KJBF CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)c(=O)c3ccccc23)cc1OCC 587670374 WFSORWGRKLHNLJ-UHFFFAOYSA-N 539.548 4.702 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@H]1c1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1 961949885 KODCZSSIAOOBMW-WSZLSEGOSA-N 632.677 4.601 5 1 KJBF CCOC(=O)c1ccc([C@]2(c3cccc([N+](=O)[O-])c3)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150818 SMAOPVFYNXIZQV-IDISGSTGSA-N 553.593 4.766 5 1 KJBF CS(=O)(=O)Nc1cccc([C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963242328 YBEVJAHUFKCEQJ-XCZPVHLTSA-N 674.644 4.930 5 1 KJBF COC(=O)CCC1=C(CC(=O)OC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C(=O)OC)c5CCC(=O)OC)C(CC(=O)OC)=C4CCC(=O)OC)c(CCC(=O)OC)c3CCC(=O)OC 150339583 JXFYRPWVBHUVFB-UHFFFAOYSA-N 942.972 5.272 5 1 KJBF endogenous,in-man Cc1cc(C)cc(Cc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2I)c1 222019629 OECNDUQCTBTKEL-UHFFFAOYSA-N 507.353 4.783 5 1 KJBF CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 587578761 XKCUJLWFXVMLIF-SQHAQQRYSA-N 518.522 4.783 5 1 KJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@H](C)CN(C)C[C@@H]2COc3ccccc3O2)[C@@H]1c1cccc([N+](=O)[O-])c1 29211275 AQJFPGACBHLIGF-YHSKMFEOSA-N 551.596 4.546 5 1 KJBF O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96940123 FHLSFJTYUGIPLQ-UHFFFAOYSA-N 530.537 4.848 5 1 KJBF CCOC(=O)c1ccc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c([N+](=O)[O-])c1 587665064 KYJKFCVUPHXTKX-UHFFFAOYSA-N 502.527 4.689 5 1 KJBF COc1ccc2oc(N)c([C@@H]3N[C@H](C(=O)Nc4ccc5[nH]c6ccccc6c(=O)c5c4)Cc4ccccc43)c(=O)c2c1 963011297 FYNOLEAJPRWRMP-LITSAYRRSA-N 558.594 4.621 5 1 KJBF COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@H]1C(C)(C)O 85907189 VNOSLNLEVFTHKG-JXSYCYSGSA-N 670.671 4.501 5 1 KJBF endogenous,in-man CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21 254131894 IEETTZJIVHLYRY-KHUDPXOFSA-N 514.534 4.753 5 1 KJBF CCC1=CC2=C3[C@]4(CC[N@@+]3([O-])C1)C(=Nc1ccccc14)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 255261205 QNAZXMGSMBKEFG-RARSHTSJSA-N 804.941 4.802 5 1 KJBF Cc1ccc(C(C)C)c(Oc2ccc([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2[N+](=O)[O-])c1 587299653 XTBIUZFAWGRVRY-VVUPHFFYSA-N 715.708 4.770 5 1 KJBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2c(sc3ncnc(Nc4ccc(Cl)cc4F)c23)C1 1857550331 JDGOMPHLJQLUMK-UHFFFAOYSA-N 519.967 4.883 5 1 KJBF O=C(CN1CCOCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 103196564 RUYOHISJZXAVIY-UHFFFAOYSA-N 539.379 4.845 5 1 KJBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 587409050 JUQMNLLZGOPYSP-OAQYLSRUSA-N 518.931 4.622 5 1 KJBF CCOC(=O)CCOCCCOCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587566849 BKVDKQDWHHHVFV-UHFFFAOYSA-N 574.586 4.764 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN(C)c1ccccc1 4079897 NYCGYOOPOXWFCL-XRKRLSELSA-N 562.623 4.745 5 1 KJBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(Cl)cc4[nH]2)cn3C2CC2)CC1 587172932 NVJSVGMDASMXGM-UHFFFAOYSA-N 510.957 4.722 5 1 KJBF Cc1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 963066049 GHGUFRZPEHWSOP-AWRGLXIESA-N 513.522 4.610 5 1 KJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963071250 XDAOEQQLCXUUKU-PLIGCNLOSA-N 551.596 4.662 5 1 KJBF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 26979976 IMXUOEYOUNQNNP-VWLOTQADSA-N 536.585 4.688 5 1 KJBF COc1ccccc1CCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82136151 MQIGCKBTNAHQBE-UHFFFAOYSA-N 527.581 4.696 5 1 KJBF CC1=NC(C)=C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O 169715760 SXRUGRZXULZCBB-XDFJSJKPSA-N 637.737 4.674 5 1 KJBF CCc1ccc(S(=O)(=O)NCCC[C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 213955031 VNAARIBPAIJLEO-CLJLJLNGSA-N 507.612 4.928 5 1 KJBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc31)O2 587388876 HCZKNUTXTJWJRZ-MHZLTWQESA-N 509.559 4.898 5 1 KJBF Cc1ccccc1CNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 13878948 PBFPJSDKWGLMON-OAQYLSRUSA-N 511.376 4.624 5 3 KJBF CS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586927639 UXRGQSDBKDHUSI-UHFFFAOYSA-N 541.394 4.649 5 1 KJBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1C(=O)c1ccc(Cl)cc1 963022366 POSGOKYLRFNAKN-NGQVCNFZSA-N 615.002 4.646 5 1 KJBF CNC(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 13587515 NZRUTHHHPHKQDY-VWLOTQADSA-N 515.566 4.541 5 1 KJBF O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 28714035 ZKYTVYVWGGGGKJ-UHFFFAOYSA-N 545.471 4.690 5 1 KJBF O=C1c2cccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] 587578325 WCALMUMPQWMFPW-HSZRJFAPSA-N 510.414 4.658 5 1 KJBF O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 1857541203 DDQZJEZQSNQSQJ-TWZJLLKVSA-N 522.483 4.858 5 1 KJBF O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772804 MKUUDVKLAZUEEA-XPNTWCBSSA-N 500.338 4.843 5 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4.632 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(-c4ccc5c(c4)OCO5)no3)c2c1 587620247 BDLSFTDFCBYMSY-UHFFFAOYSA-N 549.521 4.640 5 1 KJBF O=C(NCc1ccc(C(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 17307116 HDXFUOZHNREKOS-BVAGGSTKSA-N 524.499 4.535 5 3 KJBF aggregator COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 775853 CGIFTUSHUWYGBY-UHFFFAOYSA-N 513.547 4.554 5 1 KJBF Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)nc2cc1[N+](=O)[O-] 586908660 COFZVHAOTJHUHM-JGMWDSTGSA-N 627.779 4.685 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)c2)CC1 962926847 MZQGBPGTKFVNEJ-DHIFEGFHSA-N 575.618 4.735 5 1 KJBF COC(=O)C(=O)C[C@]1(c2ccccc2OC)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213304 HELRCTMSOFEYLK-WMELESEDSA-N 711.636 4.853 5 1 KJBF 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NC[C@@H](C(N)=O)N(C(=O)[C@H](CCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95544675 UERCGTJUVRFNRO-IDYPCJJGSA-N 746.714 4.663 5 1 KJBF COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCOC(C)C)c2cc1OC 105113399 NYTKQKJQDDFWRK-UHFFFAOYSA-N 582.702 4.700 5 1 KJBF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653793640 GTTKYEXGNWQYRL-WNSKOXEYSA-N 509.950 4.696 5 1 KJBF COC[C@@H](C)[C@@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963233934 KYVXQBNXLWUDNA-AWKKRCEGSA-N 577.546 4.793 5 1 KJBF CO[C@@H]1[C@@H](N(C)C(C)=O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C(C)=O)C4 2356657002 QJUVSVKQDUHCAW-NCFRGVMBSA-N 550.615 4.872 5 1 KJBF CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C 29249420 XNGQDDITYRSJOE-JOCHJYFZSA-N 714.752 4.773 5 1 KJBF 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C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587263548 BXWONEJSFAUKNZ-NXSYQRQQSA-N 504.219 4.695 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668639 DTVJQYLKQVOCLE-KRWDZBQOSA-N 503.511 4.877 5 1 KJBF Nc1nc2c(s1)C[C@]1(CC2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230802 IJEWTVYZMRZMHC-GTYOFVGBSA-N 643.634 4.892 5 1 KJBF COC(=O)c1cc([C@H]2c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc([N+](=O)[O-])c1 963927491 AKVAXSLUVYSGRP-NRFANRHFSA-N 522.949 4.613 5 1 KJBF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C 169291679 GCGXPIASVMELRF-NTHUYOLOSA-N 856.970 4.836 5 1 KJBF O=S(=O)(Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc2c(c1)OCCO2 586949916 GMQSPJFGYGGTOT-UHFFFAOYSA-N 509.547 4.898 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccco3)c2c1 587619549 KHIJFKJSXYTBPR-UHFFFAOYSA-N 509.418 4.728 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(C)c1ccc(Oc2ccc(C)cc2)c([N+](=O)[O-])c1 961947564 DKAVSVXMJFKVAH-UJHKNFJSSA-N 622.678 4.651 5 1 KJBF O=C(NS(=O)(=O)[C@H]1C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)[C@H]1c1ccccc1)c1cccs1 1857648878 VKGRBJXAPWGDRN-DQEYMECFSA-N 532.603 4.750 5 1 KJBF O=C(NCc1ccccc1C(F)(F)F)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 64652125 SZCXUFFUGMPRJU-JYFHCDHNSA-N 524.499 4.535 5 3 KJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 769168 SBHBGUJTVGBWIR-NOZRDPDXSA-N 525.945 4.682 5 1 KJBF COc1ccc(CN(C)C[C@H](O)COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC 49918002 FDEQJOGPEDMRCK-QHCPKHFHSA-N 597.668 4.831 5 1 KJBF COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433072 NBRMDBLRMKDXPQ-PEWLRQCJSA-N 513.502 4.544 5 1 KJBF C[C@@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 15937484 LELUGRSMNJDWHW-JIPXPUAJSA-N 531.657 4.700 5 3 KJBF CCCCC1(CCCC)[C@H](O)[C@H](c2cccc([N+](=O)[O-])c2)c2cc(N(C)C)ccc2S(=O)(=O)N1C 13553980 TUJPZSYJLFMWCA-JWQCQUIFSA-N 503.665 4.907 5 1 KJBF O=C1c2ccccc2C[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 66252325 BBHCUHHPCRRURB-ZCUSHOGSSA-N 517.994 4.993 5 1 KJBF COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433070 NBRMDBLRMKDXPQ-FVXDNXDMSA-N 513.502 4.544 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4044431 SXGIMHKKLFOXIO-BHLWPZGCSA-N 536.560 4.786 5 1 KJBF CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4321561 BVMZZNIEJWPIJA-UHFFFAOYSA-N 527.574 4.944 5 1 KJBF COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC 773659 BZIOSTWSOCVQAZ-UHFFFAOYSA-N 535.484 4.774 5 1 KJBF 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O=C(NS(=O)(=O)c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)COCC3)CC2)cc1 1857587207 GSWRZNMSLAHDFX-UHFFFAOYSA-N 696.226 4.954 5 1 KJBF Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 26388764 XQECYUZPHYEWIS-UHFFFAOYSA-N 523.537 4.634 5 1 KJBF C[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 253930719 YIOFAKPZGWHFSU-VBOWRCAOSA-N 614.834 4.556 5 1 KJBF COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(OC(F)(F)F)c(F)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 1857574835 VSYULMBPKAEEJV-NFQMXDRXSA-N 620.600 4.721 5 1 KJBF COc1c(O)cc2oc3cc(O)c(C/C=C(/C)CO)c(O)c3c(=O)c2c1C/C=C(\C)CCCC(C)(C)O 1857588433 MXOWDCDDSSLJQI-WIBPKFNESA-N 512.599 4.983 5 1 KJBF N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587180954 UONXIUINVOUDGN-CYBMUJFWSA-N 607.193 4.817 5 1 KJBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 963172068 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631.594 4.883 5 1 KJBF O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 169364067 JFCPPVRBSYLSJJ-QIZUKSDNSA-N 520.589 4.931 5 1 KJBF CCN(CC)c1ccc(-c2nn(C(=O)c3nn(Cc4ccc(C)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587667661 OSIJOJDRKLKJGV-UHFFFAOYSA-N 552.591 4.765 5 1 KJBF CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N(C(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1772589594 ZBYWXDXHWIANMK-IQGLISFBSA-N 537.594 4.682 5 1 KJBF CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 28970940 FYYBTRQVWOHGKB-YIPNQBBMSA-N 575.574 4.729 5 1 KJBF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3ccc4cccnc4c3[N+](=O)[O-])c(O)c2C(=O)O1 962967258 KARUTKZZDZBWPS-CRTAZNOZSA-N 587.972 4.845 5 1 KJBF COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 4046158 GJELYKJOTAQJIV-AOYPEHQESA-N 588.539 4.985 5 1 KJBF 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O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586958257 HCCBERKCLXGVBP-IRWQIABSSA-N 505.394 4.928 5 1 KJBF O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 587340513 HWCGBWDNCOMODO-LXFBAYGMSA-N 558.430 4.606 5 1 KJBF Nc1ccccc1CNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104963882 OYTQOKIMYPOUFN-RUZDIDTESA-N 616.700 4.812 5 1 KJBF COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CC[N+](C)(C)C)cc1Br)[C@H]2O 210716463 YXBDTPKQOMPRIE-ISKFKSNPSA-O 776.135 4.698 5 1 KJBF N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2c3ccccc3c3ccccc3c2[nH]1 587046100 XAZYADOOMZBFAB-TVQWTUMOSA-N 544.725 4.881 5 1 KJBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587231797 QYZXHKVLKGFBBB-RTBURBONSA-N 555.587 4.881 5 1 KJBF CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 26727770 CWRGETLEMMGBDH-XIFFEERXSA-N 636.797 4.622 5 1 KJBF CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1ccccc1 49114764 GLFUHFMSGJNLRI-UHFFFAOYSA-N 505.490 4.631 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)NC(=O)CO4)c(C(=O)C(F)(F)F)c2c1 587619475 GIZLZOCGARJUMN-UHFFFAOYSA-N 590.492 4.628 5 1 KJBF COC(=O)c1sccc1-n1cc([C@@]2([C@@H](C)n3cncn3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)nn1 963243108 ZPQZKRPYLJCFMA-CSLZXCCASA-N 807.758 4.994 5 1 KJBF COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])cc1 13878928 VTWMBGNYXSQTBQ-HHHXNRCGSA-N 526.593 4.687 5 3 KJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC 767014 AAFZKWMGOXXTPG-UPVQGACJSA-N 540.370 4.783 5 1 KJBF COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccccc3)c2cc1OC 105113269 URCKMASZWRMZKI-UHFFFAOYSA-N 544.612 4.684 5 1 KJBF CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693611 BHDCSFWYBOTMAF-IOMGZMAQSA-N 633.939 4.933 5 1 KJBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587231794 QYZXHKVLKGFBBB-MOPGFXCFSA-N 555.587 4.881 5 1 KJBF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963226731 PWQBMLNTTCGSOR-UXCMTWRGSA-N 693.625 4.834 5 1 KJBF COc1ccc(CNc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1OC 105121827 UAXUFKSTYFHPBN-UHFFFAOYSA-N 590.637 4.725 5 1 KJBF CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587205905 UULGNXLAFQVLBE-CHYYFCQCSA-N 633.709 4.681 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(N3C(=O)CCC3=O)c2c1 587618086 NLAGNBSVUQVZBI-UHFFFAOYSA-N 554.968 4.859 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CC[C@@H]6C=Cc7cc(O)ccc7[C@]562)[C@H]1O)[C@@]34O 2356778642 ACLLKLGKUHDFTI-GQQYWRINSA-N 826.943 4.698 5 1 KJBF CCN(CC)CCNC(=O)c1c2cc(I)ccc2nc2ccc(I)cc12 44280577 AMCYANBCZPCWKM-UHFFFAOYSA-N 573.216 4.669 5 1 KJBF CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cn2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)CC1 49841308 YWFWJRSLGATFCD-HHHXNRCGSA-N 640.744 4.546 5 1 KJBF O=C(O)c1cc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586919579 BRHVRXIASWNTQM-UHFFFAOYSA-N 571.523 4.727 5 1 KJBF CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc([N+](=O)[O-])cc5[nH]4)c3c2)cc1 586952582 ITCGWWNQNUBOIR-UHFFFAOYSA-N 505.512 4.591 5 1 KJBF CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@@]1(CCC2)c2ccc(F)cc2C[C@H]2CCCN21 963102895 NROCFPIQAAQHFA-RLACGHOJSA-N 519.573 4.935 5 1 KJBF CC1=C([C@@]2(C)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)N2NN=NC2=N1 963227760 QZYWTVWHNSQSMK-PLGCTIEMSA-N 668.623 4.904 5 1 KJBF COc1ccc(N(CCCN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 219743474 HOPNGVGHNGHNDN-UHFFFAOYSA-N 730.690 4.805 5 1 KJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587054364 KCQINDNONGUJRL-GFCCVEGCSA-N 534.141 4.905 5 1 KJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963077173 QJOCSHDJBNZRIE-HPJWIMSGSA-N 576.606 4.962 5 1 KJBF CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)C=C[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CC[C@@H]4CCc5cc(O)ccc5[C@]342)[C@H]1O 2356454594 QGZROHKBCGDASQ-AQWHFDHLSA-N 828.959 4.617 5 1 KJBF CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)CC[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CCC[C@@]32c2ccc(O)cc2)[C@H]1O 2356768811 RVTRULWXEZNVMX-ZZAGKOGVSA-N 804.937 4.669 5 1 KJBF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481449 QURFNNXDIULRPA-UHFFFAOYSA-N 503.342 4.966 5 1 KJBF COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@@H]1C(C)(C)O 85907186 VNOSLNLEVFTHKG-CYFIQEHSSA-N 670.671 4.501 5 1 KJBF endogenous,in-man COc1c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cccc1[N+](=O)[O-] 148803197 IWFUMAQNDIKXDX-NRFANRHFSA-N 532.037 4.925 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(Cl)c3)c(CC(=O)O)c2c1 587620024 OPNKZPQGNIBUGK-UHFFFAOYSA-N 533.921 4.972 5 1 KJBF CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccccc2Br)cc1 4042855 VDVKWANMPUDIEC-NOZRDPDXSA-N 567.396 4.560 5 1 KJBF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586935956 KNOADGXOPPBFOF-XMMPIXPASA-N 682.132 4.953 5 1 KJBF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 586952056 FFEYWVLNGUUMFC-OUKQBFOZSA-N 635.706 4.957 5 1 KJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587263543 BXIXKSYKYKUCEY-MLXNANBUSA-N 520.218 4.574 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1 961955948 XAJCBQUEQIHNGP-LHHUKBANSA-N 624.719 4.835 5 1 KJBF COC(=O)C1=C(N)OC2=C([C@@H]1c1cccc([N+](=O)[O-])c1)[C@@]1(CC(C)(C)C2)NCCc2c1sc(C)c2C 963005101 CNFADDBXVVZKBG-NFQMXDRXSA-N 509.628 4.846 5 1 KJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 587679184 DUNKZKRCJUQLNU-VVVCHXIZSA-N 514.149 4.720 5 1 KJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccc(Cn3ccnc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 43006988 CSBQPRGTYHAYKS-BLRKDVCKSA-N 528.565 4.504 5 1 KJBF in-vivo COc1ccc2cc3[n+](cc2c1OCCCOc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 49803033 LIDBCEVCQGCJNE-UHFFFAOYSA-N 501.515 4.844 5 1 KJBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=S)N1 84632574 GMOIPGLLWLNERS-VWLOTQADSA-N 510.579 4.879 5 1 KJBF Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(OCCN4CCCC4)cc3)n[n+]([O-])c2c1 96167748 VIBDNYUDCZVWRC-UHFFFAOYSA-N 500.559 4.673 5 1 KJBF COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 114099042 LZTGDRKTLBTVDI-HXUWFJFHSA-N 532.037 4.925 5 1 KJBF O=C(OC[C@@H]1O[C@@H]2O[C@](c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)O[C@H]2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 299814486 IWNLVGSRNLNTIM-FYLISKFBSA-N 607.575 4.826 5 1 KJBF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 771001 JSVFAFXFNKRUJS-XCZPVHLTSA-N 547.564 4.572 5 1 KJBF COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCN3CCSCC3)c2c1)C(=O)NC4=O 13535109 UYZCQKGIFUYUHT-UHFFFAOYSA-N 512.635 4.771 5 1 KJBF CCN(CC)CCNc1ccc(CC(=O)N2C(=O)c3ccccc3C2=O)c2sc3ccccc3c(=O)c12 100892304 WDFDJYHAQAUQRD-UHFFFAOYSA-N 513.619 4.534 5 1 KJBF Cn1ncc([N+](=O)[O-])c1[C@]1(C)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962708618 INMILQYWANLPHF-CMVGPNDKSA-N 630.652 4.709 5 1 KJBF CO[P@](=O)(O)[C@H](COCC[C@@H](CC(C)C)NC(=O)OCc1ccccc1[N+](=O)[O-])NC(=O)OCc1ccccc1 205700563 APKIDCQZPCXOCY-LADGPHEKSA-N 581.559 4.727 5 3 KJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2OC)cc1 774329 NTKSBLHWRUCRCH-UHFFFAOYSA-N 503.467 4.593 5 1 KJBF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620739 ZPJHFNJGRHPJDT-UHFFFAOYSA-N 537.419 4.716 5 1 KJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 587867214 VCIRFWBFNCDWEE-UHFFFAOYSA-N 551.279 4.577 5 1 KJBF COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 767556 WBIUIKYXGOFUQR-RDGATRHJSA-N 509.946 4.716 5 1 KJBF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 772099 GQCWOOLUFLTBOO-UPVQGACJSA-N 511.893 4.567 5 1 KJBF Cc1sc2nc(SCCCN3CCN(c4nc5ccccc5c5ccccc45)CC3)n(N)c(=O)c2c1C 59854416 IQKPITCNSNNYNB-UHFFFAOYSA-N 530.723 4.794 5 1 KJBF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(NCc4ccccc4)cc3o2)cc1 72110273 VOYJIYILYGEZDR-SANMLTNESA-N 562.582 4.807 5 1 KJBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 1857601189 CECKQBMLAKWVDC-UHFFFAOYSA-N 525.005 4.597 5 1 KJBF Cc1cnc2c(c1)cc1c3c(cc([N+](=O)[O-])cc32)C(=O)N([C@H](C)CNCCNC[C@@H](C)N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C1=O 3931432 HIDLEXMCANMAQH-WOJBJXKFSA-N 689.685 4.514 5 1 KJBF O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 586952877 OXOHMPWBLVPWPF-SANMLTNESA-N 628.623 4.938 5 1 KJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587263396 MIDJAUPPFYCMPF-OAHLLOKOSA-N 597.567 4.745 5 1 KJBF CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014694 JPATVLJLLRSVIC-WBBHLRKXSA-N 620.014 4.927 5 1 KJBF COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)O[C@](C)(O)CC3=O 60179105 ZMRWCUVIONANAP-HKBQPEDESA-N 574.538 4.891 5 3 KJBF COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccco3)c2cc1OC 105118875 CPAMQPDKLQTCMX-UHFFFAOYSA-N 534.573 4.691 5 1 KJBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 586928671 HOTTZGCTIJDVGI-UHFFFAOYSA-N 536.452 4.921 5 1 KJBF COc1ccc(CCNc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc3cc(OC)c(OC)cc23)cc1 105133396 KWSXBVOUOLNMNL-NRFANRHFSA-N 586.649 4.536 5 1 KJBF CCOC(=O)C1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 587578757 XKCUJLWFXVMLIF-RPLLCQBOSA-N 518.522 4.783 5 1 KJBF Cc1cccc(C(=O)N2CCC(n3c(=O)cnc4cnc5cc(F)c(-c6ccc(N)nc6)cc5c43)CC2)c1 1772590271 BMGGDEFOZPJACP-UHFFFAOYSA-N 508.557 4.514 5 1 KJBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCc3ccc(F)cc3)c2cc1OC 105154866 YEPWAHIKYKWSBL-UHFFFAOYSA-N 532.576 4.676 5 1 KJBF CCCSc1nc(Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857755420 LVAULOGJBQFITL-UHFFFAOYSA-N 505.585 4.673 5 1 KJBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 4056008 KCKGYULONVJSGH-UKILVPOCSA-N 525.945 4.552 5 1 KJBF CC1=NC(C)=C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C 29204232 QMZFLIOZGDBDTG-NLPAELKFSA-N 565.623 4.937 5 1 KJBF COc1ccccc1CCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 105177264 ZPYYPMSYPDRUJH-UHFFFAOYSA-N 571.634 4.729 5 1 KJBF CN(C)C(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 13587517 DXMQNPLFFURGAV-SANMLTNESA-N 529.593 4.883 5 1 KJBF COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O 27982910 QJEKOSVNAAJODP-WLZNGNGHSA-N 554.939 4.788 5 1 KJBF O=c1c2cc(I)ccc2nc(Sc2ncccc2[N+](=O)[O-])n1Cc1ccccc1 73224589 LNIDLTSIBCUZQB-UHFFFAOYSA-N 516.320 4.504 5 1 KJBF Cc1ccc2nc3ccccc3c([C@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 195481079 PYGQPAHLOLRICV-RRGQHJHPSA-N 560.585 4.909 5 1 KJBF Cc1cccc(C)c1-c1cc([N+](=O)[O-])c2nc(Nc3ccc(OCCN4CCCC4)cc3)[nH][n+](=O)c2c1 203014943 MWONAENUPOVDBL-UHFFFAOYSA-N 501.567 4.888 5 1 KJBF CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)c(=O)c3ccccc23)cc1OCC 587668986 JMWCATUKXAXCTJ-UHFFFAOYSA-N 539.548 4.702 5 1 KJBF Cc1c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979974 LPZKJHYYUCMSIK-UHFFFAOYSA-N 597.451 4.808 5 1 KJBF O=c1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587007483 ZGNTZKAIVQMKJY-UHFFFAOYSA-N 504.138 4.873 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 587275883 HEUAJVWTKNGLEB-AWEZNQCLSA-N 595.524 4.696 5 1 KJBF O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4052493 CFFPNEQCOKWFCH-FYYLOGMGSA-N 529.427 4.630 5 1 KJBF COc1cc2nc(N3CC[C@@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC 105133448 BKXFCGMCZNEENF-RUZDIDTESA-N 625.730 4.949 5 1 KJBF Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 254224476 PYGQPAHLOLRICV-KJHMZRPRSA-N 560.585 4.909 5 1 KJBF Cc1cc2c(cc1O)[C@@](c1ccc([N+](=O)[O-])cc1)(c1ncc(C(F)(F)F)cc1Cl)N[C@H](C(=O)O)C2 963472181 PDMQCSLMNPKIJH-AVRDEDQJSA-N 507.852 4.567 5 1 KJBF C[C@@]1(c2cc(C(=O)O)[nH]c2[N+](=O)[O-])c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962471232 COYIEEZPBYCZHK-RNAHPLFWSA-N 568.542 4.540 5 1 KJBF CC(O)=c1c(O)c2c3c(c1O)c(=O)cc1oc4cccc(=O)c4c(c13)[C@H]([C@@H](C)CC(=O)c1c(O)cccc1O)[C@H]2C 2356584728 QGXAARBBGWHTQS-UAGWRWDDSA-N 554.551 4.797 5 1 KJBF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(C(=O)O[C@H](C)CN(C)Cc2ccccc2)C(=O)N1 13726867 ORRSPTDFFKAGTJ-HOYKHHGWSA-N 524.574 4.544 5 1 KJBF CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1[N+](=O)[O-])C(=O)c1nc2ccccc2o1 169702089 JDDINJWMLIHVRF-FHJLPGHOSA-N 630.601 4.954 5 1 KJBF COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccco3)c2cc1OC 105125326 TWOZUGNARDEKEY-UHFFFAOYSA-N 574.638 4.822 5 1 KJBF Cc1ccc2c3c1N(CC31CC1)[C@]2(C(=O)N1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 963731310 ORCXOUQNLXNLDC-YTTGMZPUSA-N 533.632 4.838 5 1 KJBF CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N(CC)CC)c(=O)c3ccccc23)c(O)c1 587668060 XNHLZDJIVKDPGD-UHFFFAOYSA-N 565.652 4.543 5 1 KJBF O=C(O)Cc1cccc(OS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 1857547993 XPYFJRCXKAGZMA-UHFFFAOYSA-N 539.444 4.652 5 1 KJBF COc1c(O)c2c(=O)cc3c([C@H](C)C(=O)C[C@H](C)O)c([C@@H](C)C(=O)C[C@H](C)O)c4cc(=O)c5c(O)c(OC)c(OC)c6c(c1OC)c2c3c4c56 2356408068 SYKMKCFGVGJEJY-YHUYYLMFSA-N 686.710 4.819 5 1 KJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 13878908 HMNVBBZRQSHGFH-AREMUKBSSA-N 514.557 4.817 5 3 KJBF Nc1ccccc1CNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104963878 OYTQOKIMYPOUFN-VWLOTQADSA-N 616.700 4.812 5 1 KJBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 4079906 NYCGYOOPOXWFCL-YTMVLYRLSA-N 562.623 4.745 5 1 KJBF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 587291352 ZUVHJGHFZSOENI-LMWQPGMKSA-N 743.665 4.715 5 1 KJBF COc1ccc2c3c1O[C@@H]1[C@]34CC[N@+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccco1)C2 1772601065 GJVHYDPMBFFYHP-SKOAFUKZSA-N 506.663 4.874 5 1 KJBF O=C(NCc1ccc(C(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 103765519 HDXFUOZHNREKOS-OZXSUGGESA-N 524.499 4.535 5 3 KJBF aggregator CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1Br 4153127 PJNHSGXQJNGTDQ-NOZRDPDXSA-N 568.380 4.893 5 1 KJBF CCOC(=O)C1=C(C)NC(/C=C/c2ccc([N+](=O)[O-])cc2)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 49069446 MXJMATJSMGCGHX-RBNVVWFDSA-N 507.499 4.558 5 1 KJBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587231795 QYZXHKVLKGFBBB-OALUTQOASA-N 555.587 4.881 5 1 KJBF C[C@@]1(c2cc(N3CCC4(CC3)OCCO4)ccc2[N+](=O)[O-])NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959165 RYQLTOGSLQQCTM-VWLOTQADSA-N 547.574 4.872 5 1 KJBF C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O 28567590 GQKMKQZYHICVOC-RUZDIDTESA-N 565.564 4.722 5 1 KJBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)cc1 586955190 MHNBCOCLVRCFAP-UHFFFAOYSA-N 507.410 4.925 5 1 KJBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263599 WFHQKECAVDYIKG-UHFFFAOYSA-N 501.387 4.992 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(N(C)C)cc3)c2c1 587621092 NOJTZNXANGUZTF-UHFFFAOYSA-N 523.571 4.512 5 1 KJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 1772579356 OAKZFKVKLRCNTP-UHFFFAOYSA-N 525.421 4.967 5 1 KJBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 770998 JSVFAFXFNKRUJS-IXCJQBJRSA-N 547.564 4.572 5 1 KJBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 104955973 BAMLAEDAIRYTCF-IBGZPJMESA-N 522.505 4.688 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1c1cc([N+](=O)[O-])ccc1SCCSc1ccc([N+](=O)[O-])cc1C=O 961783174 LZAGDISOHZHFIE-JHFJJOSTSA-N 743.820 4.981 5 1 KJBF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc1-2 587269037 ICCKLXSIITZWJJ-UHFFFAOYSA-N 550.558 4.661 5 1 KJBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341072 XUSCRBZUZZMFJA-ULKKMRMTSA-N 553.539 4.516 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668640 DTVJQYLKQVOCLE-QGZVFWFLSA-N 503.511 4.877 5 1 KJBF CCCCNC[C@@H](O)COc1cc(OCc2ccc(OC)cc2)c2c(=O)c3cccc(OC)c3oc2c1 1772597230 WBVWFMYWKRYGRI-HXUWFJFHSA-N 507.583 4.672 5 1 KJBF COc1c(C[C@@H](C)OC(C)=O)c2c3c(C[C@@H](C)OC(C)=O)c(OC)c(=O)c4c(OC(C)=O)cc(OC)c(c5c(OC)cc(OC(C)=O)c(c1=O)c52)c43 2356284348 XZZBPQJFUXPBQP-HZPDHXFCSA-N 718.708 4.769 5 1 KJBF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)CC2 1628476 CWFCMSGWUJNTEL-FQEVSTJZSA-N 522.579 4.787 5 1 KJBF O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2OCc2ccccc2[N+](=O)[O-])CC1 95585884 OQNSHWIIPROCAB-UHFFFAOYSA-N 560.695 4.541 5 1 KJBF CC(C)CCC[C@@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693608 BHDCSFWYBOTMAF-DYBILAHCSA-N 633.939 4.933 5 1 KJBF COc1cc(OC)c2c(=O)c3cc(Br)ccc3oc2c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 261164789 RRCWZRPBDNCNLK-UHFFFAOYSA-N 593.883 4.890 5 1 KJBF C[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 299811257 YIOFAKPZGWHFSU-LBFCZTRRSA-N 614.834 4.556 5 1 KJBF CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCc2[nH]c3cccc([N+](=O)[O-])c3c2C)NC(=O)[C@H]2CCCCN2C1=O 587649436 UYSNUWFXPOGTGS-IJBJKDISSA-N 741.890 4.638 5 1 KJBF O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@H](c2c[nH]c3ccccc23)N2CCOCC2)c([N+](=O)[O-])c1 1772642289 GDPQNACKZIOCIV-KJYTXNCISA-N 544.568 4.502 5 1 KJBF COc1ccc2c(c1)c(=O)c1c(NCCCN3CCN(CCCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)ccc3ncn2c31 102080323 KWBFNSBERAXIOJ-UHFFFAOYSA-N 628.733 4.706 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3cc21 586920275 GUFDZRPUAYFWSO-UHFFFAOYSA-N 655.597 4.864 5 1 KJBF COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1 587108878 BYXCJMNQOKDODQ-UHFFFAOYSA-N 506.462 4.890 5 1 KJBF COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)cc2[N+](=O)[O-])c(OC)c1 963638659 UJOZXMWYGKKFJK-HAWMADMCSA-N 508.527 4.823 5 1 KJBF COc1ccc2c(c1OC)[C@]1(CCc3cc([N+](=O)[O-])ccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795009 AKNPGOOAVRVXIW-GDLZYMKVSA-N 511.534 4.551 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 4052898 UTKHLZXEFRYYGQ-UKILVPOCSA-N 509.946 4.716 5 1 KJBF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 587267220 GZLPIFUEQOIIBQ-UHFFFAOYSA-N 532.582 4.809 5 1 KJBF CCCCCOc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587269538 DKTDQYQFYOYMET-KRWDZBQOSA-N 504.385 4.701 5 1 KJBF CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCc2[nH]c3cccc([N+](=O)[O-])c3c2C)NC(=O)[C@H]2CCCCN2C1=O 587649442 UYSNUWFXPOGTGS-ZBFPXMGXSA-N 741.890 4.638 5 1 KJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587265439 UGIZVFRBRSRQOP-NZFNHWASSA-N 504.219 4.695 5 1 KJBF CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)c(C)n1 587619995 NLJIZCXZTZNUDX-UHFFFAOYSA-N 551.503 4.822 5 1 KJBF CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1 27653459 GFTNZBASPCLUTI-DIBCGYTKSA-N 691.686 4.825 5 1 KJBF O=C(CCN1CCCC1)Nc1cccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5cccc(NC(=O)CCN6CCCC6)n5)nc4c3n2)n1 205728192 NDFBMMAKILCHBR-UHFFFAOYSA-N 700.804 4.926 5 1 KJBF Cc1ccn2c(C(=O)NCc3ccc(C(=O)N4CCN(c5nc(=O)c6cc(C(F)(F)F)cc([N+](=O)[O-])c6s5)CC4)cc3)c(C)nc2c1 653727856 ZADIHRYCAQXTDZ-UHFFFAOYSA-N 665.654 4.740 5 1 KJBF CC[C@H](C)[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1 1772600121 LXTJPKZMLCWLDV-YZYNAAERSA-N 563.680 4.671 5 1 KJBF CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 4046154 NGGYAAGAJFCASS-NOZRDPDXSA-N 572.496 4.696 5 1 KJBF C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 49952312 ATZADORLXNSGND-FQFFBEATSA-N 548.684 4.732 5 1 KJBF CCC[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)CCC 95610725 NMABHUNJOZPZQK-ZCUSHOGSSA-N 747.824 4.735 5 1 KJBF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cl)cn12 1857567286 MEKLINAZWUHTBK-UHFFFAOYSA-N 530.990 4.985 5 1 KJBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(OC(C)=O)ccc([C@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](N(C)C)[C@@H]3OC(C)=O)c21 238735305 VLIKKBPAGBTOFK-SHSRGUEVSA-N 647.677 4.938 5 1 KJBF O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 587340505 HWCGBWDNCOMODO-FIPFOOKPSA-N 558.430 4.606 5 1 KJBF O=C1NCN(c2ccccc2)C12CCN(CCc1c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c13)CC2 587645886 NMSKIAUAQSBRIB-UHFFFAOYSA-N 513.573 4.853 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587694083 LCLJLZBXOACAJT-SFDCACGMSA-N 557.800 4.670 5 1 KJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587749222 CUSXMRAIFAOCAH-APXPCNQMSA-N 511.303 4.565 5 1 KJBF CO[C@@H]1[C@H](N(C)C(C)=O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C(C)=O)C4 2356657004 QJUVSVKQDUHCAW-OZKZLJLMSA-N 550.615 4.872 5 1 KJBF COc1cc2c(=O)n(CCN(CC(F)(F)F)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40939966 MTECMLYLLDENPR-UHFFFAOYSA-N 517.504 4.722 5 1 KJBF Nc1ccccc1CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104961348 KTXZCNGNXMJYLV-JOCHJYFZSA-N 547.662 4.649 5 1 KJBF N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(NCCCc2ccccc2)c([N+](=O)[O-])c1 1857537625 PVHXPIRDCVNDKO-NDEPHWFRSA-N 588.686 4.593 5 1 KJBF COc1ccc(OC)c(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc32)c1 96913975 UNXMTKHJQYDJBV-UHFFFAOYSA-N 548.371 4.540 5 1 KJBF CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693618 LOTNQNJRNGMAMB-IAYMKFGPSA-N 633.939 4.934 5 1 KJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587269338 LPAWBRRIZHDESO-UHFFFAOYSA-N 520.445 4.682 5 1 KJBF CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)cc2)cc1)C1CCCC1 72137826 SYEIEKIBFQZESE-VWLOTQADSA-N 647.754 4.830 5 3 KJBF O=C(C[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95606625 FCKXGFANXSHGAW-NGDRWEMDSA-N 737.553 4.593 5 1 KJBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 587172818 NIBRQZFIDWNUAG-UHFFFAOYSA-N 555.408 4.831 5 1 KJBF CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2o1 587186734 QTQFIHAPRRBHHT-UHFFFAOYSA-N 543.119 4.734 5 1 KJBF Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)CC6=O)c3cc2o1 14826842 TYGDEPGAUFDWRF-SNVBAGLBSA-N 516.458 4.662 5 1 KJBF biogenic CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc([C@H](O)NC)c21 87672114 UYCUMHKDVRZHMW-QFIPXVFZSA-N 530.651 4.786 5 1 KJBF CCN(CC)CCCNc1nc(NCCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 105119322 WTUWEYMDUFFMBI-UHFFFAOYSA-N 567.691 4.630 5 1 KJBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O 587649160 RTJIAMBSBLGQLJ-SWOWHYGYSA-N 741.890 4.502 5 1 KJBF CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCc2[nH]c3cc([N+](=O)[O-])ccc3c2C)NC(=O)[C@H]2CCCCN2C1=O 587649421 URUXFJIZWTTWMY-SWOWHYGYSA-N 741.890 4.638 5 1 KJBF C[C@]1(c2cc(N3CCC4(CC3)OCCO4)ccc2[N+](=O)[O-])NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959160 RYQLTOGSLQQCTM-RUZDIDTESA-N 547.574 4.872 5 1 KJBF O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 29126870 JFCPPVRBSYLSJJ-LAKWIPNFSA-N 520.589 4.931 5 1 KJBF CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O 29315956 LYFDGRJCBMWOKJ-RIGQTMPJSA-N 541.629 4.908 5 1 KJBF in-vivo CSc1ccc(S(=O)(=O)NCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] 586940960 AIUNGTQOOLCXHW-UHFFFAOYSA-N 511.610 4.948 5 1 KJBF CC(C)(SCC(=O)O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586960757 ZXYHAECDWRPJKH-UHFFFAOYSA-N 504.520 4.898 5 1 KJBF O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656642 HUOPLBLTHAQLEU-UHFFFAOYSA-N 548.328 4.807 5 1 KJBF COc1cc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(C(=O)O)cc1 53296486 ZEALMTFPVJJJCI-KSEXSDGBSA-N 564.528 4.815 5 1 KJBF CN1CCC[C@@H]1CCn1c(=O)c2ccc3c4ccc5c(=O)n(CC[C@H]6CCCN6C)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 253637595 JLETVWCHNKXXAK-FGZHOGPDSA-N 612.730 4.932 5 1 KJBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587226301 YEOCVBYZKKKDGW-MRXNPFEDSA-N 549.539 4.929 5 1 KJBF CC(C)COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br 587264642 OWGXRYCSBCOMIU-WLRWDXFRSA-N 508.329 4.711 5 1 KJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN(C)c1ccccc1 4080350 RHXZDKVEJKMFRR-UIOOFZCWSA-N 510.591 4.980 5 1 KJBF Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)C2=O 42887614 QNKOLGNMGGVARI-UHFFFAOYSA-N 523.954 4.801 5 1 KJBF Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 82178767 MJRXYNRNYUMOPZ-UHFFFAOYSA-N 722.780 4.950 5 1 KJBF COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCc3cccs3)c2cc1OC 105132492 LFDWLEABOONQLW-KRWDZBQOSA-N 548.625 4.546 5 1 KJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587106442 CBEDVRQAEWLTPK-ZDUSSCGKSA-N 519.299 4.778 5 1 KJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 587754487 ZDMCVVBNYDWBOQ-QVQLBTGDSA-N 512.291 4.775 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl 962041927 HDPBKKIIIAUWDX-HPSLPFNASA-N 682.055 4.646 5 1 KJBF C[C@@]1(c2cc(N3CCSCC3)ccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921554 HPUGFRJNFDMOIK-RPLLCQBOSA-N 521.595 4.508 5 1 KJBF C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4c(F)cccc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-] 1772655407 XQYPSZZZNBUAGF-UHFFFAOYSA-N 533.608 4.662 5 1 KJBF CNC(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1 13587516 NZRUTHHHPHKQDY-RUZDIDTESA-N 515.566 4.541 5 1 KJBF CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 26966865 DYPZUUPZRIXBQY-VWLOTQADSA-N 536.585 4.688 5 1 KJBF CC1=C(C(=O)Nc2nc(C)cs2)C(c2ccccc2[N+](=O)[O-])C(C(=O)Nc2nc(C)cs2)=C(C)N1 96937955 IVXCNRHTQLUUGE-UHFFFAOYSA-N 510.601 4.637 5 1 KJBF Cc1ccc2c(c1)c(=O)c1c(NCCCN3CCN(CCCN4C(=O)c5cccc6cc([N+](=O)[O-])cc(c56)C4=O)CC3)ccc3ncn2c31 150537160 UCFNMACFRQJOBR-UHFFFAOYSA-N 657.731 4.914 5 1 KJBF NC[C@H](C(N)=O)N(C(=O)[C@@H](CCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169331508 UERCGTJUVRFNRO-DWCFPWJKSA-N 746.714 4.663 5 1 KJBF CCOC(=O)C1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])CC1 587578707 XALVDHRSFLAFQJ-ABYGYWHVSA-N 532.549 4.957 5 1 KJBF O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 13858613 UKYLABUDOAWMFR-NDEPHWFRSA-N 524.612 4.876 5 1 KJBF CCCc1c(O)ccc2c1O[C@](C(=O)N1CCN(Cc3ccccc3)CC1)(c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587471443 QGZRHYBVDACUPC-YTTGMZPUSA-N 568.630 4.939 5 1 KJBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I 587737180 CXOUYEYNGUOQLY-QPFGOUBPSA-N 521.124 4.733 5 1 KJBF CC(=O)c1ccc2c(c1)[C@H](c1ccc(I)c([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630840 QHCXAVCQALYZJL-PMACEKPBSA-N 566.348 4.738 5 1 KJBF Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 82178433 VQYBBVSAJKEYNB-UHFFFAOYSA-N 708.753 4.560 5 1 KJBF O=C(NCCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1)OCc1ccccc1 104964128 DCXJUXAWAXEMCH-AREMUKBSSA-N 622.748 4.516 5 1 KJBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587297398 GGRYQPADJXNWOU-WCAQCBLFSA-N 755.729 4.542 5 1 KJBF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618459 QTPHNXAWEUSQAE-UHFFFAOYSA-N 543.941 4.562 5 1 KJBF COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccccc3)c2cc1OC 105122287 OHQQWMIVYTWPQP-UHFFFAOYSA-N 530.585 4.708 5 1 KJBF Cc1cccc2c1c(=O)c1c(NCCCN3CCN(CCCN4C(=O)c5cccc6cc([N+](=O)[O-])cc(c56)C4=O)CC3)ccc3ncn2c31 150546998 KUPZSKVRFKIVAK-UHFFFAOYSA-N 657.731 4.914 5 1 KJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)[C@H](C)COc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169295441 VUBWIAJSRQTELD-VWYMMTOUSA-N 523.586 4.785 5 1 KJBF COC(=O)[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2[N+](=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 299828175 SPGQQODZCITPFQ-WCWHRKERSA-N 565.575 4.602 5 1 KJBF COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C 85907199 BDURUBOYNAVRCF-CXNHSUMOSA-N 684.698 4.512 5 1 KJBF endogenous,in-man CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587671126 XYTPGCYOEIQNKR-UHFFFAOYSA-N 566.636 4.789 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(c1ccc(F)cc1)c1oc2ccc([N+](=O)[O-])cc2c1C 962048093 WKEXFPMZDURMSF-RLYYAAKVSA-N 650.663 4.772 5 1 KJBF Cc1cccc2nc3cccc(C(=O)NCCN(C)CCN(C)CCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12 29208967 ADXMHZOFVYEIOA-UHFFFAOYSA-N 614.754 4.520 5 1 KJBF CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587574702 GPOIZXIZIVMWAN-RBJSKKJNSA-N 512.474 4.946 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](C(O)O)C3(c4ccc(O)cc4)CCC4(CCCC4)CC3)O[C@@H]12 2356357829 VZRXXSBAVQTXRE-SSDXTRBZSA-N 767.872 4.935 5 1 KJBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 4208174 VRYBPKZIKFZFLP-ZCYQVOJMSA-N 525.945 4.552 5 1 KJBF CCn1cc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C)n1 587620230 SKYZKKYGZATTPT-UHFFFAOYSA-N 533.513 4.579 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587668558 DDXKPNPJLGSOFX-HXUWFJFHSA-N 505.531 4.566 5 1 KJBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 38146261 DARSCGCAYSNKBD-AREMUKBSSA-N 594.510 4.709 5 3 KJBF O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344636 XIJUENXCFSMDNO-FUFSCUOVSA-N 525.444 4.985 5 1 KJBF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)N(c1ccc(Cl)cc1)C=N2 1772638016 IPZLMBLQUHLUFJ-SANMLTNESA-N 567.993 4.768 5 1 KJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 13878931 KISZHHABTNLBNY-VWLOTQADSA-N 500.530 4.775 5 3 KJBF Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587053049 ADFCREUFHFUQDK-VWLOTQADSA-N 638.106 4.850 5 1 KJBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587231195 MMLCNQXZVZVBKL-UHFFFAOYSA-N 620.618 4.792 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 587275884 HEUAJVWTKNGLEB-CQSZACIVSA-N 595.524 4.696 5 1 KJBF O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587340327 HBMODDMQALGCID-BTYSJIOQSA-N 525.444 4.985 5 1 KJBF CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N(CC)CC)c(=O)c3ccccc23)cc1OCC 587671133 YAZZLSVHAYOACS-UHFFFAOYSA-N 566.636 4.789 5 1 KJBF COc1cccc([C@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)n1 962962748 CJPKNQIJUMFDTP-ZIIYETNPSA-N 644.036 4.902 5 1 KJBF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCC(=O)O)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21 963917593 XDZVIPLGRCDOSI-SANMLTNESA-N 536.976 4.846 5 1 KJBF COc1cc2nc(N3CC[C@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCc3cccc(OC)c3OC)c2cc1OC 164044607 YGDIRIZKZNLXDV-DEOSSOPVSA-N 644.729 4.945 5 1 KJBF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccco4)[C@@H](C2)[N@+](C)(CC2CC2)CC[C@]315 473182999 GJVHYDPMBFFYHP-JCJRGPEYSA-N 506.663 4.874 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)c3ccccn3)c2c1 587620942 JURHYKJRKRXEIE-UHFFFAOYSA-N 518.507 4.772 5 1 KJBF CCOC(=O)C1=C(C)NC(/C=C/c2ccc([N+](=O)[O-])cc2)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 49069448 MXJMATJSMGCGHX-UDFXALJUSA-N 507.499 4.558 5 1 KJBF CNS(=O)(=O)c1ccc(CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 586946368 LDUXWGLWIKJIPA-UHFFFAOYSA-N 569.595 4.538 5 1 KJBF COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl 586949406 WBNYXKRFKHPPFD-UHFFFAOYSA-N 538.767 4.758 5 1 KJBF CCOc1ccc(-c2nn(C(=O)/C(=C/c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)cc1OCC 587669464 NHIRZMLQUYPLQZ-KQWNVCNZSA-N 542.548 4.587 5 1 KJBF Cc1ccc(NC(O)=C2C=C[C](CN3CC[N+](C)([O-])CC3)C=C2)cc1Nc1nccc(-c2cccnc2)n1 685933136 KVEQNJDPCWNQJU-UHFFFAOYSA-N 510.622 4.733 5 1 KJBF endogenous,world CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3ncc(Br)cc3[N+](=O)[O-])nc(Cl)nc21 963928609 NYTYNEIQVJKFAY-IBGZPJMESA-N 544.797 4.984 5 1 KJBF CN(C)c1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] 1772612045 JIOZHBDMPNYHNL-UHFFFAOYSA-N 514.377 4.529 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 768908 NGDVJFVWUODHSW-SQHAQQRYSA-N 569.998 4.733 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3[C@@H]4CC[C@H](O)[C@H](C5(c6ccc(O)cc6)CCCCC5)[C@@H]4O[C@H]1[C@@]32O 2356360919 RGZXFQQZICIGNC-FMNPINPXSA-N 747.841 5.000 5 1 KJBF CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 49778189 ILRBKIMZTBAVNG-NWWLCHBLSA-N 731.872 4.807 5 1 KJBF COc1cc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)ccc1O 85994988 VFMRKCRAFSNPPO-UHFFFAOYSA-N 593.566 4.941 5 1 KJBF COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)ccc1OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 98081857 VIDYREXSIRGNCM-AREMUKBSSA-N 526.553 4.520 5 1 KJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962673368 UNFCCQXJHADQNY-LITSAYRRSA-N 512.566 4.952 5 1 KJBF CCNCOc1cc(OC)c2c3c1ccc1cc4c(c(c13)CC2)[C@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 2356778924 HRHJHPRRZPVCNC-URAOTHONSA-N 531.605 4.978 5 1 KJBF O=C(NCCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cc(-c2ccccc2)nc2ccccc12 6005554 QEPSPBLUFYZVAY-UHFFFAOYSA-N 573.609 4.969 5 1 KJBF O=C1N(Cc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc([N+](=O)[O-])c1 14943485 ZWDOWGPELPEFCT-ZRTHHSRSSA-N 596.640 4.885 5 1 KJBF CN(C)CCCNc1cc2c(=O)n(CCCN(C)C)c(=O)c3cc(NCCCN(C)C)c4c5ccc6c(=O)n(CCCN(C)C)c(=O)c7ccc(c1c4c23)c5c76 95607357 QDHUYNNPFUYOHV-UHFFFAOYSA-N 760.984 4.594 5 1 KJBF O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)[C@@H]1CCc2ccccc2C1 100802787 OJLYLHSLPXZUCU-TYBLODHISA-N 535.666 4.754 5 1 KJBF NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262580 CRVZGGCDIIIBDX-UHFFFAOYSA-N 512.286 4.735 5 1 KJBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 962930468 VWIILKVXSDVISI-URXFXBBRSA-N 516.535 4.722 5 1 KJBF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14947878 ONKANJYUPWHECL-GSDHBNRESA-N 632.158 4.994 5 1 KJBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4ccc(I)cc4)c3)nc2c1 587184470 CODXECYMOHZAGK-UHFFFAOYSA-N 555.741 4.592 5 1 KJBF CCCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br 587263412 TYTCBJPUMSDFTP-UHFFFAOYSA-N 516.396 4.895 5 1 KJBF COc1cccc([C@@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)n1 962962739 CJPKNQIJUMFDTP-RAOLSWOTSA-N 644.036 4.902 5 1 KJBF COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 27736857 SPCTVFIJGVRIBZ-LOSJGSFVSA-N 539.585 4.710 5 1 KJBF C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccc(F)cc34)n2)c(OC)cc1N(C)CC[N+](C)(C)[O-] 1772619299 MTILPOMEZWINDU-UHFFFAOYSA-N 533.608 4.662 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC 769509 DFMDYIHCUWAJKT-AHWVRZQESA-N 583.439 4.849 5 1 KJBF CCOC(=O)c1ccc([C@]2(c3cccc([N+](=O)[O-])c3)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962702404 LKZSPTRLGFRANQ-WIOPSUGQSA-N 532.446 4.820 5 1 KJBF CCOC(=O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723459 YFCXFZIVIKSHBF-FZRYCFGWSA-N 507.499 4.771 5 1 KJBF COc1ccc2c(c1OC)[C@H](c1ccc([N+](=O)[O-])c(Br)c1)N(C(=O)c1ccccc1N)CC2 963133293 ARHPDXRGDRWDOI-QFIPXVFZSA-N 512.360 4.745 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CC[C@@H]6CCc7cc(O)ccc7[C@]562)[C@H]1O)[C@@]34O 2356454595 QGZROHKBCGDASQ-GQQYWRINSA-N 828.959 4.617 5 1 KJBF COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 770357 ULTNLJZSNRAIGL-AHKZPQOWSA-N 553.015 4.782 5 1 KJBF CN(C)CCCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12 49605471 WXUGCFPBHPGAMH-UHFFFAOYSA-N 646.792 4.936 5 1 KJBF CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081332 WPJFFEWACPDCHM-OAQYLSRUSA-N 515.680 4.589 5 1 KJBF C/C=C1/CN2CC[C@@]34C(=O)c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 255201603 CBBXXVJTZYTTBO-OMDLNDCISA-O 663.839 4.826 5 1 KJBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 587578300 VWQANXSRYMFGSY-WNCULLNHSA-N 501.495 4.874 5 1 KJBF Cc1c(C=O)c2ccccn2c1[C@]1(c2cccc([N+](=O)[O-])c2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963132525 BPYYAWFOBHGBNF-RBISFHTESA-N 562.604 4.963 5 1 KJBF O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 49695356 LFQLOBUDZGJGBE-UHFFFAOYSA-N 560.486 4.524 5 1 KJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961875 TWEZSZYFCCCMDS-VHSSKADRSA-N 505.394 4.928 5 1 KJBF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCC(=O)O)cc1F 587620752 ZZZOCSXFMANIHU-UHFFFAOYSA-N 543.529 4.717 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CO)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963219157 HDFLGBWFRJXDBI-XYFQYJLHSA-N 629.553 4.844 5 1 KJBF COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(OC)c4n(C)c23)O[C@H]1C(C)(C)O 85907187 VNOSLNLEVFTHKG-OSPAZUARSA-N 670.671 4.501 5 1 KJBF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 587687562 VFMQDVWCZNNZJH-VVVCHXIZSA-N 514.149 4.720 5 1 KJBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cn4nc(N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)n(-c5ccccc5)c4=S)CC3)cc21 1857615677 YVMYRJDZCLDKSC-UHFFFAOYSA-N 713.796 4.590 5 1 KJBF CN(C)C/C=C/C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 169322646 DQFQFNHOUQAXFI-QPJJXVBHSA-N 542.562 4.540 5 1 KJBF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586953282 RCPIJYVMVFTHEZ-FQEVSTJZSA-N 532.626 4.512 5 1 KJBF Cc1onc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078720 AFGLSSXGNHKXPO-UHFFFAOYSA-N 521.637 4.994 5 1 KJBF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c(=O)c3ccccc23)c(O)c1 587667708 QOWPQWNBWFOCEB-UHFFFAOYSA-N 556.579 4.667 5 1 KJBF CCOc1ccc(CCNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 105163841 MZEHDMQMNVJGSU-UHFFFAOYSA-N 571.590 4.772 5 1 KJBF Cc1nn(Cc2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1[N+](=O)[O-] 587267522 LZIZMWZVGRIZAF-UHFFFAOYSA-N 589.595 4.923 5 1 KJBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587748004 RKKFBEVULRGZJW-VERVWZFWSA-N 519.371 4.978 5 1 KJBF CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)c1nc2ccccc2[nH]1 2356828994 PJKASWCVBHJELB-KJYRVFMZSA-N 566.662 4.701 5 1 KJBF O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1cccnc1 28766346 UPNGEDJHCUNSGY-UHFFFAOYSA-N 529.551 4.579 5 1 KJBF O=C1C[C@@](C(=O)NCCN2CCOCC2)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2I)N1CC12CC3CC(CC(C3)C1)C2 95784765 UZZAMZWKUNZZKI-CSZNDCDSSA-N 742.655 4.568 5 1 KJBF CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc(O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718279 ZRAZFMKWUSOXFD-YKIHMHJNSA-N 694.738 4.944 5 1 KJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586958259 HCCBERKCLXGVBP-IXDGSTSKSA-N 505.394 4.928 5 1 KJBF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@H](C)O)[nH]c4c3)o2)cc1 587266700 NHFNKUIZAXWDGW-DMZKTXOQSA-N 531.485 4.639 5 1 KJBF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c21 963550421 LLIOEOUVEORUMM-QXNWPYRLSA-N 546.539 4.587 5 1 KJBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N2CCCc3cccc(c32)[C@]12c1ccsc1CCN2Cc1cccnc1 962997305 LKBSXBDTOJHIJP-JTSJOTPCSA-N 565.655 4.901 5 1 KJBF CC[C@H](C(=O)OC)[C@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963218070 FYUSWCPULQBBKZ-VGNCIJBISA-N 619.583 4.883 5 1 KJBF CCCc1c(OCCCCCOc2cc3c(cc2[N+](=O)[O-])CC[C@H](C(=O)O)O3)ccc(C(C)=O)c1O 29544648 NIRYJCLULPVMPA-JOCHJYFZSA-N 501.532 4.862 5 1 KJBF CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O 96285520 MPBAYUHXOUYQBZ-SIBVEZHUSA-N 660.525 4.805 5 1 KJBF N[C@@H](CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270875 SOEIGNZPRCZCPT-QHCPKHFHSA-N 593.552 4.652 5 1 KJBF COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)n(C[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 36387279 COFMXHXIUKNMPD-HSZRJFAPSA-N 525.565 4.899 5 3 KJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cnc4ncnc(Sc5ccccc5)c43)OCc3ccccc32)cc1 29128058 AUQRHEMFDFILRU-QHCPKHFHSA-N 560.617 4.810 5 1 KJBF CO[C@H]1C=CC=C(C)C(=O)Nc2cc3nc4ccccc4oc-3c(c2=O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H]1OC(N)=O 253839012 GBEUZXNQWGKGTB-OAGSJWANSA-N 619.715 4.753 5 1 KJBF COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O 586995168 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CC(=O)Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(C)oc6cc45)c3cc2o1 2356343544 RMLHCYCRDFRDST-UHFFFAOYSA-N 556.479 4.546 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 768625 SGEZTUGPVPVBFQ-ZCYQVOJMSA-N 527.936 4.855 5 1 KJBF CCc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2cc(C(=O)O)ccc2n1 13742166 XBDRFPZAQGCRSX-UHFFFAOYSA-N 503.518 4.921 5 1 KJBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341061 XUSCRBZUZZMFJA-IURLTMSJSA-N 553.539 4.516 5 1 KJBF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(C(=O)O[C@H](C)CN(C)Cc2ccccc2)C(=O)N1 13726870 ORRSPTDFFKAGTJ-KOSHJBKYSA-N 524.574 4.544 5 1 KJBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)CN3CCNCC3)c(Cc3ccccc3)cc2c1 43014345 PATGIWFGPBFVGX-AREMUKBSSA-N 502.546 4.604 5 1 KJBF COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OS(=O)(=O)O)c2)c2c3cc(OC)c(OC)cc3ccn21 73258596 OJZUQDQXQPHXHQ-UHFFFAOYSA-N 593.566 4.941 5 1 KJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 587608710 SAVJJQSQMUAZAG-SQHAQQRYSA-N 549.513 4.780 5 1 KJBF Cc1cccc(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc32)c1 96914512 YBWTVOCSQBBEPH-UHFFFAOYSA-N 502.346 4.831 5 1 KJBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 586949061 YKYLTEBBKFGCGT-UHFFFAOYSA-N 521.324 4.849 5 1 KJBF CSc1sc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(I)c1S(=O)(=O)C(C)C 587182386 FUKWEOBIHHIATC-UHFFFAOYSA-N 523.399 4.708 5 1 KJBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587264121 AZBITZQAPKTDLS-FQEVSTJZSA-N 552.499 4.701 5 1 KJBF COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(ccc3[nH]c2cc3CCOC)C(CCO)=C1 26719025 UVOOOTRJYANQMR-UHFFFAOYSA-N 528.653 5.193 5 1 KJBF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586909753 MDJDSNHZRBHVMX-XSEOHNTGSA-N 616.111 4.522 5 1 KJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587749224 CUSXMRAIFAOCAH-JNDILOIQSA-N 511.303 4.565 5 1 KJBF COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 4208684 AZZZIGCETSVBCD-BDYUSTAISA-N 569.998 4.733 5 1 KJBF CCCCCN(C(=O)OC(C)(C)C)c1nc(Oc2ccc([N+](=O)[O-])cc2)c2ncn(CC(=O)O)c2n1 66078149 QBXXSFDNFHILBB-UHFFFAOYSA-N 500.512 4.543 5 1 KJBF O=c1c2ccc(Cl)cc2oc2c(OC[C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)cccc12 95596685 UUCGIPVDEXXKQY-NPOAWEEOSA-N 505.014 4.670 5 1 KJBF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CO)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] 73224388 BTLNFMIUQUKBFU-MEWQITQSSA-N 540.644 4.581 5 1 KJBF CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCCO1 26480915 ADWGHEQZNMDYED-RHDVMARJSA-N 639.683 4.560 5 1 KJBF N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc([N+](=O)[O-])cc3)c2)c(I)c1)C(=O)O 26993852 PQDQGMFPUCOAPD-IBGZPJMESA-N 660.202 4.847 5 1 KJBF COc1ccccc1CCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 105177238 VECUYCVHNPOCRL-UHFFFAOYSA-N 543.580 4.662 5 1 KJBF Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587050869 USRTVKGOPCFLOL-LCYFTJDESA-N 565.011 4.894 5 1 KJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 587868744 ROUQFBIXZBWQSC-UHFFFAOYSA-N 576.532 4.626 5 1 KJBF COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 4075419 MDLMZYXISPLSHR-SQHAQQRYSA-N 553.015 4.782 5 1 KJBF CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC 4210940 XKTSBPNHSKRWHT-BDYUSTAISA-N 567.982 4.835 5 1 KJBF O=C(CCc1ccc2ccc3cccc4ccc1c2c34)OC[C@@H]1COCCOCCOCCOCCOCCO1 1772573011 LBKKCHQWAVBATP-NDEPHWFRSA-N 550.648 4.542 5 1 KJBF COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccc(F)c(F)c1 587620672 XKLOLFXHVYIAEY-UHFFFAOYSA-N 531.493 4.546 5 1 KJBF CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C 29248833 WPPOJRSZRQOPQZ-QHCPKHFHSA-N 714.752 4.773 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 587273032 CSMSUSQMTOIUTC-HNNXBMFYSA-N 609.551 4.890 5 1 KJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963181371 GVRSMEZWIVSOGJ-OXQOHEQNSA-N 507.852 4.525 5 1 KJBF O=C(NCCc1cccc(F)c1)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82135730 ZQKKTIFGUWCHKM-UHFFFAOYSA-N 503.509 4.957 5 1 KJBF COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N[C@H](CO)c4ccccc4)cc2NC3=O)ccc1[N+](=O)[O-] 89469215 GCGLWZLCGJIITI-AREMUKBSSA-N 538.560 4.972 5 1 KJBF CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 105139315 FGOVHWGHMOKJHY-OAQYLSRUSA-N 582.702 4.969 5 1 KJBF CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](C)O[C@H]1OCc1ccc([N+](=O)[O-])cc1 238781075 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633.939 4.933 5 1 KJBF CC1=NC(CCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O 169716182 FTEANBXSHLNIRR-CZNDPXEESA-N 636.797 4.836 5 1 KJBF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 587290214 UJNLWJXFQHSNEG-YHVKRWFOSA-N 757.692 4.857 5 1 KJBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@H](OC(=O)c2ccc([C@](C)(O)CCCC(C)(C)O)c(O)c2)O[C@@H]1O4 2356328091 OMTAWALVOBKTKI-SZHSWXHISA-N 636.650 4.929 5 1 KJBF O=C(N[C@@H](COCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 104968169 HOGUKTSLUDCNNN-MHZLTWQESA-N 599.713 4.814 5 1 KJBF COc1cc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC 163953338 ZTDWTLXGYBNJCD-UHFFFAOYSA-N 644.729 4.899 5 1 KJBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Oc2ccccc21 40866837 RGWWTHDDTJREMB-UHFFFAOYSA-N 500.599 4.893 5 1 KJBF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586949930 HJOOURYDOVTVLW-UHFFFAOYSA-N 555.568 4.807 5 1 KJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 587873212 WPKZFPOUOPPEGH-UHFFFAOYSA-N 512.519 4.795 5 1 KJBF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4079769 AJTAVHQUFDDMLK-AHWVRZQESA-N 537.956 4.826 5 1 KJBF COc1ccc2cc3c4c(cccc4c2c1)C(=O)N([C@H](C)CNCCNC[C@@H](C)N1C(=O)c2cccc4cc([N+](=O)[O-])cc(c24)C1=O)C3=O 29408458 OZDKHRQMGGLLFT-NHCUHLMSSA-N 659.699 4.911 5 1 KJBF CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 49778295 FFYUPIXBYQYESZ-NWWLCHBLSA-N 731.872 4.807 5 1 KJBF O=C(O)c1c(=O)c2cc(F)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2n2c1sc1ccccc12 101144398 PNGGGOQGRYNGLH-UHFFFAOYSA-N 531.565 4.556 5 1 KJBF COC(=O)[C@@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103202402 FPIGYYFAUCYJGU-IBGZPJMESA-N 518.404 4.927 5 1 KJBF CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@+]1(C)CC1CC1)[C@H]2O5 473183266 TTXDZHRSIOJYMD-NWRNTMLXSA-O 502.675 4.978 5 1 KJBF CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 587295084 WMVHVSNFPNMTQG-MBFLWHQDSA-N 919.722 4.792 5 1 KJBF CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 4080185 SYDXCBOUKXCBCR-AHWVRZQESA-N 536.972 4.711 5 1 KJBF O=C(Nc1cc(Br)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 13580650 OAZBMVAPRVXFSM-UHFFFAOYSA-N 501.245 4.798 5 1 KJBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21 40393542 AQURMEIWPYGRPB-UHFFFAOYSA-N 512.654 4.886 5 1 KJBF CC[C@@]12C[N@+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 299808522 OQIDYYPJIGSADF-GZYUVOAISA-N 824.972 4.715 5 1 KJBF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc34)c(=O)c2c1 587621413 TWKBMKCYBHCAOX-UHFFFAOYSA-N 562.604 4.943 5 1 KJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)[C@@H](C)COc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 29210597 VUBWIAJSRQTELD-LFYFOVNNSA-N 523.586 4.785 5 1 KJBF CN1CCN(c2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccccc3[N+](=O)[O-])s2)CC1 98082537 PMWWIYBUKKHRNO-UHFFFAOYSA-N 524.606 4.836 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 587621111 OQVHNXCFPAZTLP-UHFFFAOYSA-N 590.655 4.606 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NC3CCCCCC3)c2c1 587621265 RLRAGYWXDSUIKG-UHFFFAOYSA-N 500.577 4.647 5 1 KJBF Cc1nn(CCC(=O)O)c(C)c1[C@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225713 AZDZXXCANYNOQI-SVEHJYQDSA-N 671.619 4.846 5 1 KJBF CC1=C(C(=O)NCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](c2ccccc2)N2C(=N1)Sc1ccccc12 96932856 XQLHOTCTRFNNKI-LJAQVGFWSA-N 582.686 4.747 5 1 KJBF O=C(NCCCC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1)OCc1ccccc1 104964397 YFALNELAYFAFTB-VWLOTQADSA-N 622.748 4.516 5 1 KJBF CC1=NC(C)=C(C(=O)OCCN(C)C[C@H]2COc3ccccc3O2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C 299810639 QMZFLIOZGDBDTG-ZAARLKMMSA-N 565.623 4.937 5 1 KJBF O=C([C@H]1CCCCN1C1c2ccccc2CCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84669924 DCRSULWZBOQRND-GDLZYMKVSA-N 510.638 4.986 5 1 KJBF CN(C)CCCCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104964940 WYJVCNLINHMYEC-DEOSSOPVSA-N 611.721 4.798 5 1 KJBF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C 169291677 GCGXPIASVMELRF-SFVSWZKKSA-N 856.970 4.836 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4153557 TVZIRSDAXFKIJZ-TYFWRAIDSA-N 521.501 4.831 5 1 KJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccc(Cn3ccnc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 43006991 CSBQPRGTYHAYKS-IQKOXAACSA-N 528.565 4.504 5 1 KJBF in-vivo CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Cl)cc1Cl 49784978 PLXGPPVMTPLQQX-QVKLTZRHSA-N 623.578 4.933 5 1 KJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1I 587569435 LCQKMCVQQSDHLK-UTKZUKDTSA-N 519.247 4.617 5 1 KJBF O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4211791 MKUUDVKLAZUEEA-GIWBLDEGSA-N 500.338 4.843 5 1 KJBF COC(=O)c1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587267239 VVGXUIQBNASBFS-UHFFFAOYSA-N 670.651 4.770 5 1 KJBF COc1cc2c(c(O)c1[C@H]1c3cc4c(c(O)c3O[C@@H]1C(C)(C)O)c(=O)c1cccc(O)c1n4C)c(=O)c1ccc(OC)c(OC)c1n2C 2356646617 JDGHTURBZYYQPU-LUWBXXKHSA-N 654.672 4.503 5 1 KJBF Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)C2=O 49877453 GCVABUMLJGXWNY-UHFFFAOYSA-N 523.954 4.801 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@H]3C4=C[C@H](O)[C@]5(O)O[C@H](C(=O)Oc6c(CO)[nH]c7ccc8cc9ccccc9cc8c67)[C@H](O[C@@]2(CC4)[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@@H]1O)[C@]35O 2356373069 QZEIJZHDPGJGMR-HWYPJGDISA-N 828.959 4.979 5 1 KJBF CC(C)(C)n1nnnc1[C@@H](NCCNc1ccnc2cc(Cl)ccc12)c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 95590263 DRNDJPCKZDMODY-CUNXSJBXSA-N 633.113 4.503 5 1 KJBF O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(O)c([N+](=O)[O-])c2)C1 206891565 VXOPIGNHBPDYNO-VAVYLYDRSA-N 611.655 4.922 5 1 KJBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 299829340 LTUDRGMCNJHZHM-UHFFFAOYSA-N 508.428 4.974 5 1 KJBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263428 UEUBOVLNZMTJJQ-UHFFFAOYSA-N 512.286 4.735 5 1 KJBF CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 587665132 MRGBOXOLVSXODF-SFHVURJKSA-N 516.554 4.940 5 1 KJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1 653785997 KGGXIQVQMXDMDX-UHFFFAOYSA-N 516.595 4.546 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(C[C@H]3CC[C@H]2O3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963236738 MXXQVTHRUKOUKY-KGRFGQRISA-N 587.541 4.616 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 4052554 OTPHGSAMLPCJAD-VWNXMTODSA-N 545.470 4.919 5 1 KJBF COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5cccc(O)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C 85907227 RHEWDZDNLMBJJF-URNDWHGUSA-N 654.672 4.503 5 1 KJBF endogenous,in-man CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NCCN(CC)CC)C(C)(C)O2 101089443 RKESBORTDBSPBH-SANMLTNESA-N 508.707 4.713 5 1 KJBF CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926232 MKEIJBXJLKIFCN-UHFFFAOYSA-N 514.663 4.856 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-n3nnn(-c4ccccc4Cl)c3=O)c2c1 587617128 ARVLWMWJZYCURO-UHFFFAOYSA-N 598.041 4.568 5 1 KJBF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653788981 QIZIADMZXFUUMW-IQMFZBJNSA-N 554.401 4.805 5 1 KJBF COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 767554 WBIUIKYXGOFUQR-RCZVLFRGSA-N 509.946 4.716 5 1 KJBF COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 772643 DHUCPCIPDZEWKD-XNMGPUDCSA-N 569.998 4.733 5 1 KJBF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055303 UDUDQQSEYQGJDQ-LADGPHEKSA-N 511.893 4.567 5 1 KJBF COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)N32)cc(OC)c1O 5741800 MZISFSFXJZIGGY-HFRGRHLUSA-N 516.510 4.876 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C)c(N3CCOCC3)c2c1 587621597 XYODGZDFGRHZRG-UHFFFAOYSA-N 522.583 4.698 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661667 RBLMSWFGHRWLSL-UHFFFAOYSA-N 546.536 4.909 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 587748562 VRJPWTPKTKHBBN-HWRSSNJWSA-N 524.346 4.570 5 1 KJBF O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767360 ATMNYZJGXJRSTB-GMAHTHKFSA-N 529.427 4.630 5 1 KJBF O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 40975478 TVSXAGYTXUNTDT-LJQANCHMSA-N 512.913 4.715 5 1 KJBF CCOC(=O)N1CCC(NC(=O)[C@@H](CCSC)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)CC1 105227596 UFZUAOWDUMECIA-QGZVFWFLSA-N 542.083 4.642 5 1 KJBF COC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 587104838 KKXQKNYJCLJHBJ-JIPXPUAJSA-N 512.518 4.781 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(=NC(=O)c4ccc(F)cc4)s[nH]3)c2c1 587620872 IBZCNVZACDUZPM-UHFFFAOYSA-N 582.595 4.526 5 1 KJBF COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 772389 AZZZIGCETSVBCD-VPUSJEBWSA-N 569.998 4.733 5 1 KJBF 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537.544 4.601 5 1 KJBF O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 28824811 YOLLKNVZWFKWGF-NRTJEHLZSA-N 516.598 4.661 5 1 KJBF COc1ccc(C(=O)Oc2c(OC)ccc3c2c[n+]2c4c3ccc3c5c(cc(c34)CC2)OCO5)cc1[N+](=O)[O-] 96935110 LSPAHNOQGAZWNQ-UHFFFAOYSA-N 525.493 4.863 5 1 KJBF CC(C)CCOc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270035 HZCXUJYUKAHZIO-KRWDZBQOSA-N 504.385 4.557 5 1 KJBF CCOC(=O)c1ccc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587669502 NYTKRKGEDNYGPV-UHFFFAOYSA-N 503.511 4.935 5 1 KJBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587746870 LOCZFHDLDWISPC-VERVWZFWSA-N 519.371 4.978 5 1 KJBF N=[S@](=O)(O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772621996 GGOKNRSYWRKUND-UHFFFAOYSA-N 525.474 4.772 5 1 KJBF O=C(O)c1ccc(CNc2ccc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 13589483 BPQQQNQPBWCDQS-UHFFFAOYSA-N 501.465 4.646 5 1 KJBF 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548.606 4.836 5 1 KJBF COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135675 DBQTVRUYGVEWEC-ROUUACIJSA-N 505.575 4.799 5 1 KJBF CC(C)Oc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br 587263602 WLZRQHVUPNNKER-UHFFFAOYSA-N 502.369 4.504 5 1 KJBF NC[C@]1(Cc2ccccc2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963234029 LJAPOKKMZJAZON-VCTRWQRLSA-N 624.606 4.866 5 1 KJBF COc1ccc(CNc2ccc(C(=O)NCCN(C)C)c3[nH]c4c(Cl)cc(Cl)cc4c(=O)c23)cc1 1772589540 VVACFYKQUUSMJJ-UHFFFAOYSA-N 513.425 4.900 5 1 KJBF Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 36757863 HHKOUWVTKOVZSW-UHFFFAOYSA-N 527.839 4.666 5 1 KJBF O=C(N[C@H](CSCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084625 AGOKPLOFMTWAHY-OAQYLSRUSA-N 510.641 4.763 5 1 KJBF CCC1=NC(COCCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O 169716157 UTCOMQXMXQJEDA-OIDHKYIRSA-N 680.850 4.852 5 1 KJBF 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510.716 4.590 5 1 KJBF CC(=O)OCC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N(c1ccccc1)[C@@H]1[C@H]3CC[N@+]4(CCOC(C)=O)CC6=CCO[C@@H]5[C@@H]1[C@H]6C[C@@H]34)C2 253664526 FNULMNZULDBPSF-WLQNOLCWSA-N 760.976 4.787 5 1 KJBF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 586935029 JFDVLDAGNMZHOD-DEOSSOPVSA-N 537.645 4.984 5 1 KJBF COc1ccc2c(c1OC)[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(C)cn1)N(C(=O)c1ccccc1N)CC2 963141025 OFTIWVQLCXJQDN-SSEXGKCCSA-N 524.577 4.888 5 1 KJBF COc1ccc([C@@]2(c3cccc(Cl)c3)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)cc1[N+](=O)[O-] 963669325 UJDDKOKECVBPME-XKVYUHEQSA-N 602.043 4.662 5 1 KJBF Cc1ccc([C@H]2Oc3cc([N+](=O)[O-])c(Cl)cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 72119650 DPJNZDUVKPRIQR-XMMPIXPASA-N 518.913 4.640 5 1 KJBF 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CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NC/C=C/c3ccc([N+](=O)[O-])o3)C(=O)O[C@]12C 95608860 JOFSVIIIBARHRV-AIJATINNSA-N 762.898 4.651 5 1 KJBF CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2cc([N+](=O)[O-])ccc21 101049494 YEKRNFSCNXCMCY-ZEQRLZLVSA-N 519.476 4.711 5 1 KJBF CC[C@@H](C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O 169361999 ZDNIYLRJHBNWFO-UNSOUNPSSA-N 995.141 4.798 5 1 KJBF O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587340328 HBMODDMQALGCID-IADCTJSHSA-N 525.444 4.985 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 587687566 VFMQDVWCZNNZJH-XYZCENFISA-N 514.149 4.720 5 1 KJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 13878892 AZFKSNWULDYMDD-AREMUKBSSA-N 514.557 4.817 5 3 KJBF 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C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCCCC4)ccc2-3)CCCCC1 13557228 YOIQUPYUGMPKHA-UHFFFAOYSA-P 518.702 4.816 5 1 KJBF O=c1c2c(CN3CCNCC3)c(-c3ccc([N+](=O)[O-])cc3)sc2n(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1 27190072 HVWFICMADVGIAQ-UHFFFAOYSA-N 589.624 4.521 5 1 KJBF NS(=O)(=O)c1ccc(-n2nc(Nc3ccc([N+](=O)[O-])cc3)c3c(=O)n(-c4ccccc4)c(Nc4ccccc4)nc32)cc1 95574875 PKTFCIFQVLPAFW-UHFFFAOYSA-N 594.613 4.614 5 1 KJBF C[N@+]12CC[C@H]3[C@@H]1C[C@H](C1=CN4c5ccccc5[C@@]56CC[N@+]7(C)CC8=CCO[C@H]([C@@H]([C@H]45)[C@H]8C[C@@H]67)N(c4ccccc4)[C@@H]13)/C(=C\CO)C2 261151016 OYEREZMILAMQAG-OQTDTUHGSA-N 616.850 4.824 5 1 KJBF CCOC(=O)c1ccccc1[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962721738 WILTWALKBBIIJD-RCZVLFRGSA-N 532.446 4.820 5 1 KJBF COC[C@@H](C)[C@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963233938 KYVXQBNXLWUDNA-JQRIVJTKSA-N 577.546 4.793 5 1 KJBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 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COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 105198433 IQNYZHCYMKXHBD-UHFFFAOYSA-N 546.609 4.528 5 1 KJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587263550 BXWONEJSFAUKNZ-WJWGPLDTSA-N 504.219 4.695 5 1 KJBF CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCCO1 26480923 ADWGHEQZNMDYED-CDAOMREXSA-N 639.683 4.560 5 1 KJBF C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 49778065 MQUYWWKLAOXOOD-ZGZOUGAKSA-N 548.684 4.589 5 1 KJBF CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82149316 NKUDISBNALJTJI-UHFFFAOYSA-N 521.618 4.530 5 1 KJBF CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C 169291676 GCGXPIASVMELRF-GPBCRTLJSA-N 856.970 4.836 5 1 KJBF CCOC(=O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723458 YFCXFZIVIKSHBF-ZNRZVBFGSA-N 507.499 4.771 5 1 KJBF COc1ccc(-c2coc3cc4occ(-c5ccc(OC)c(OC)c5)c(=O)c4c(O)c3c2=O)cc1OC 653905273 WUAXVCKRZYKVOD-UHFFFAOYSA-N 502.475 4.973 5 1 KJBF COc1ccc(N/C=C(/[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)[N+](=O)[O-])cc1 963444411 GTNFSKABZJRPMM-TXKRCJRJSA-N 512.522 4.600 5 1 KJBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 4154218 HGODUTJYTQHRLM-XRKRLSELSA-N 563.607 4.860 5 1 KJBF COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 82221467 LNDNNRBDGMCNCR-UHFFFAOYSA-N 505.556 4.696 5 1 KJBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 104956225 YBQJHGCLPLUMIW-LJQANCHMSA-N 522.505 4.688 5 1 KJBF Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)c(C)c1[N+](=O)[O-] 587657040 QWCUWXUFTOSKQK-UHFFFAOYSA-N 515.476 4.800 5 1 KJBF Cc1nc(-c2cnc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)n(C)c1C 1772657260 FUBODANITUBSGU-UHFFFAOYSA-N 528.404 4.877 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 4075439 VWPQXYWLBZUCHC-VPUSJEBWSA-N 553.015 4.782 5 1 KJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)[C@@H](N)C(C)C)c(-c3cccc(F)c3)oc12 299854454 ZFUZYDOHCBIQGT-DEOSSOPVSA-N 539.556 4.683 5 1 KJBF O=C(N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)O)OCc1ccccc1 587204205 VYVVTISUMNTQSK-VWLOTQADSA-N 593.548 4.767 5 1 KJBF COc1ccc2c(c1OC)[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808201 OYTLVPYIIARUPL-XMMPIXPASA-N 553.531 4.500 5 1 KJBF CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O 25990923 OQNBWYGUAQARAM-UHFFFAOYSA-N 576.782 4.708 5 1 KJBF Cc1ccc(-c2nn3c(SCC(=O)NC4C5CC6CC(C5)CC4C6)nc4ccccc4c3nc2=O)cc1 73165509 GYIKXIUDRUIRDS-UHFFFAOYSA-N 511.651 4.646 5 1 KJBF 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CC1CCC(NS(=O)(=O)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 586953713 YHKNPLMNYMUZGK-UHFFFAOYSA-N 561.616 4.843 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cc(Br)ccc3O)c2c1 587618462 QZONLZJVTTZYCP-UHFFFAOYSA-N 560.382 4.893 5 1 KJBF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076401 YVFCDZWSVGFNDD-KWOQKUFVSA-N 514.365 4.713 5 1 KJBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O 587649156 RTJIAMBSBLGQLJ-KXFPYFMRSA-N 741.890 4.502 5 1 KJBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@@]2(c3ccccc3-c3nc4ccccc4nc32)[C@@H]1c1ccc(Br)cc1 1911583932 NISMCMVQGSIUDA-PAXQOXJBSA-N 553.420 4.983 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 4052563 OTPHGSAMLPCJAD-UPVQGACJSA-N 545.470 4.919 5 1 KJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cccc(OC)c1OC 4216841 ZTLZVWRLHXDLFJ-AOYPEHQESA-N 527.574 4.714 5 1 KJBF CCN(CC)CCNc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)c2sc3ccccc3c(=O)c12 100894029 HCNCODJMELKDGB-UHFFFAOYSA-N 521.664 4.513 5 1 KJBF Nc1ccccc1CNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104963495 IJCQODGXBAPMSH-SANMLTNESA-N 616.700 4.812 5 1 KJBF Cc1ccc2nc3ccccc3c([C@@H]3[C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 195481064 PYGQPAHLOLRICV-SKKKGAJSSA-N 560.585 4.909 5 1 KJBF COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccs3)c2cc1OC 105121806 ZBFPPJVQJJDKPU-UHFFFAOYSA-N 536.614 4.769 5 1 KJBF CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)C=C[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CC[C@@H]4C=Cc5cc(O)ccc5[C@]342)[C@H]1O 2356778641 ACLLKLGKUHDFTI-AQWHFDHLSA-N 826.943 4.698 5 1 KJBF CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 49777708 RWIDAEOVDBVWDN-ZKBMDCSPSA-N 604.748 4.779 5 1 KJBF CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc3nc4ccccc4nc3c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O 195298870 GCPNDGGYSBOFCL-UTMZBPCZSA-N 618.731 4.949 5 1 KJBF COc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586995191 FVJCMDBDNWTHLB-UHFFFAOYSA-N 542.302 4.835 5 1 KJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587579062 YCWRICIEFANIJJ-WNCULLNHSA-N 517.494 4.862 5 1 KJBF COc1ccc2c(c1OC)[C@](c1cccc([N+](=O)[O-])c1)(c1cccc(C)n1)N(C(=O)c1ccccc1N)CC2 963135805 FFHKXESKKRLISO-PMERELPUSA-N 524.577 4.888 5 1 KJBF CC(C)CCC[C@@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693610 BHDCSFWYBOTMAF-ZQCWRWJWSA-N 633.939 4.933 5 1 KJBF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(Cl)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586909751 MDJDSNHZRBHVMX-NJAHTZCASA-N 616.111 4.522 5 1 KJBF Nc1cc(C(=O)O)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587248690 BBJZADLBGJPGPA-UHFFFAOYSA-N 507.458 4.792 5 1 KJBF CCOc1ccc(-c2nn(C(=O)COc3ccc(F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587672516 WQBZMUVFGDDVPI-UHFFFAOYSA-N 507.474 4.627 5 1 KJBF CC(=O)c1ccc2c(c1)[C@H](c1ccc([N+](=O)[O-])c(Br)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625423 NGLDKOJUHOHMIT-PMACEKPBSA-N 519.348 4.896 5 1 KJBF CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(-c5cccc([S@](=N)(=O)O)c5)nn4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 653794418 MSMIKZJQAMFQAQ-UHFFFAOYSA-O 697.823 4.947 5 1 KJBF O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c([N+](=O)[O-])c1 1772623240 CJFJAUJGERRKET-DMDYGQEQSA-N 539.976 4.674 5 1 KJBF Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@H](C)C6=O)c3cc2o1 2356561853 IFMKNIBYCZVNTE-WDEREUQCSA-N 530.485 4.908 5 1 KJBF CO[P@](=O)(O)[C@@H](COCC[C@@H](CC(C)C)NC(=O)OCc1ccccc1[N+](=O)[O-])NC(=O)OCc1ccccc1 205700535 APKIDCQZPCXOCY-UPVQGACJSA-N 581.559 4.727 5 3 KJBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 4056007 KCKGYULONVJSGH-NOZRDPDXSA-N 525.945 4.552 5 1 KJBF O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084558 QXNVKTYTOJWPKI-QFIPXVFZSA-N 510.641 4.763 5 1 KJBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263160 NPAWQFYHMOKFFH-UHFFFAOYSA-N 512.286 4.735 5 1 KJBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 4210693 XBCIDHNOMUKQQX-NOZRDPDXSA-N 527.936 4.855 5 1 KJBF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586953444 UVACXBGMOJYISK-DEOSSOPVSA-N 532.626 4.512 5 1 KJBF CC1=NC(CCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O 169716183 FTEANBXSHLNIRR-LQJZCPKCSA-N 636.797 4.836 5 1 KJBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587311846 WRLLDXORQAHANO-RSBRCGGKSA-N 660.675 4.709 5 1 KJBF COC(=O)c1sccc1-n1cc([C@]2([C@@H](C)n3cncn3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)nn1 963243111 ZPQZKRPYLJCFMA-VXPHAORQSA-N 807.758 4.994 5 1 KJBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 1857654624 LWPOLPWTQHCTSX-CQSZACIVSA-N 508.170 4.794 5 1 KJBF COc1cc2nc(N3CCCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC 105125231 NKGZKXJDTIRCFK-UHFFFAOYSA-N 630.702 4.888 5 1 KJBF CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)Cc3ccccc3[N+](=O)[O-])C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 169366802 BFVNEYZEWBLNDJ-ZMYOUDQYSA-N 975.013 4.867 5 1 KJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 586947870 AVJSJLJASLFHGZ-UHFFFAOYSA-N 503.334 4.715 5 1 KJBF Cc1nc(N(C)C)ncc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587195022 QNEWDWWXVVTDSI-UHFFFAOYSA-N 507.506 4.676 5 1 KJBF COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 105190867 UTXJWHCMFVIRDK-QGZVFWFLSA-N 546.609 4.561 5 1 KJBF COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 169297838 JIRMJXZEKAMOEK-NFTQTCPJSA-N 533.968 4.567 5 1 KJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587263843 GMHHEIKMWVGCSD-NXSYQRQQSA-N 520.218 4.574 5 1 KJBF CC(C)(C)c1ccc(Oc2ccc([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2[N+](=O)[O-])cc1 587296660 BKVGLOUZYZVFJL-QPBKTWBUSA-N 715.708 4.635 5 1 KJBF O=C(O)Cc1ccc(NS(=O)(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 1857581340 JUQRBYICIHOJDU-UHFFFAOYSA-N 538.460 4.686 5 1 KJBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 772381 PBYOINCRVGKIHF-SQHAQQRYSA-N 569.998 4.733 5 1 KJBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 104956222 YBQJHGCLPLUMIW-IBGZPJMESA-N 522.505 4.688 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587265039 BUVGDXNMONTYDP-UHFFFAOYSA-N 605.954 4.773 5 1 KJBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266319 ZWVFMQMHDYMELR-XMLVGPMBSA-N 541.516 4.505 5 1 KJBF CCNc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1[N+](=O)[O-] 587665905 TWJRDGJRHQOPLF-UHFFFAOYSA-N 501.543 4.644 5 1 KJBF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc(Br)c2)N1 963702522 JXMRJKXPUFOLBD-WAKHXKBOSA-N 616.468 4.681 5 1 KJBF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C)COc3ccccc3[N+](=O)[O-])c(O)c2C(=O)O1 962962901 DELILBCLBBRAHD-QKCOYHTPSA-N 580.977 4.501 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c([C@H](C)C(=O)O)c2c1 587620295 UJDCCVPPSJFRNT-ZDUSSCGKSA-N 513.503 4.880 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(c1ccc(Cl)c([N+](=O)[O-])c1)c1sc(N2CCCCC2)nc1C 961956607 YCKATLZDZCETDI-BLCMUDRFSA-N 717.248 4.987 5 1 KJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962636130 YEHSKTAWHZSGGY-WXVAWEFUSA-N 510.543 4.632 5 1 KJBF CC(=O)O[C@@H]1[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@H](C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 2356813586 DMPOQZQEVKDKPE-LVEHTJNSSA-N 521.566 4.959 5 1 KJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 26578168 LXFUZKSHNBGMLG-UHFFFAOYSA-N 615.078 4.603 5 1 KJBF COc1ccc(OC)c(S(=O)(=O)n2c(COc3ccc([N+](=O)[O-])cc3)nc3cc(Br)ccc32)c1 96914514 JQSVITJMVKIKDH-UHFFFAOYSA-N 548.371 4.540 5 1 KJBF COc1cc2c(cc1OC)[C@H](c1c[nH]c3cc([N+](=O)[O-])ccc13)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963806532 HFZQZBOTUVHQAO-HHHXNRCGSA-N 524.533 4.932 5 1 KJBF Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)NC(=O)OC(C)(C)C)cc1 586932348 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560.382 4.942 5 1 KJBF Cc1cc([C@]2(C)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ncn1 963216502 BUISCVFJHMRZJI-QXNWPYRLSA-N 611.567 4.831 5 1 KJBF COc1cc([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccn1 963218110 GBCGQPCQVAJBPR-RPLLCQBOSA-N 612.551 4.962 5 1 KJBF COc1ccc(-c2cnc(-c3cnc(N4CCN(C(C)=O)CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174517 TYTCMRRCAQIZDM-UHFFFAOYSA-N 516.583 4.519 5 1 KJBF CC1=NC(C)=C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O 169715758 SXRUGRZXULZCBB-XLJNKUFUSA-N 637.737 4.674 5 1 KJBF CC[C@]1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 1772626583 NMPBZVRSQKUNQS-UJNDEMDJSA-N 995.165 4.885 5 1 KJBF CC1(C)CC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)O)cc4)ncc3[N+](=O)[O-])cc2)CC(C)(C)N1[O] 1857556100 AJORBWYMXISBMT-UHFFFAOYSA-N 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CCCc1cn(Cc2ccc3nc4c(OC(C)=O)c(Br)cc(Br)c4nc3c2)nn1 1857652164 AKNQSSRGLUSHOA-UHFFFAOYSA-N 519.197 4.826 5 1 KJBF COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 82163637 PJBDGUXXTHOXKR-UHFFFAOYSA-N 505.556 4.696 5 1 KJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3[nH]2)CC1 1857593451 SDXOUOVUYZNJPR-UHFFFAOYSA-N 557.588 4.807 5 1 KJBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 4153956 BAKDOUIKXRUREB-ZCYQVOJMSA-N 509.946 4.934 5 1 KJBF CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 28361706 QDNZGMZTGONDEP-UHFFFAOYSA-N 581.783 4.755 5 1 KJBF COc1ccc2[nH]c3c(C(=O)NCCCN(C)CCCNC(=O)c4ccc(NCCN(C)C)c5c(=O)c6cc(OC)ccc6[nH]c45)ccc(NCCN(C)C)c3c(=O)c2c1 95612371 QSTMRRXUSWZQNK-UHFFFAOYSA-N 820.008 4.512 5 1 KJBF C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](O)COC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 207164391 BZSDPPQXIYVJAG-PNSVXCQESA-O 876.077 4.713 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587698359 VDOVFOLBYPNBBE-DAOPMYJZSA-N 557.800 4.670 5 1 KJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587750300 HKPYAVNNCAQUBA-JNDILOIQSA-N 511.303 4.565 5 1 KJBF Cc1cc2c(cc1O)[C@](c1ccc3ccccc3c1)(c1nnn(-c3ccc([N+](=O)[O-])cc3)c1C)N[C@H](C(=O)O)C2 963465293 BJMUUSWSUXBYEL-FREGXXQWSA-N 535.560 4.542 5 1 KJBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 772373 YQPQFNMSDBKBOK-RSXGOPAZSA-N 537.956 4.826 5 1 KJBF COCCN(CCOC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 101456423 UZODGBFNLPEEQD-UHFFFAOYSA-N 543.572 4.668 5 1 KJBF CS(=O)(=O)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925691 IBQVSHGOFGJGHL-UHFFFAOYSA-N 509.563 4.720 5 1 KJBF CCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br 587263236 PBACJGAVSMAJJJ-UHFFFAOYSA-N 502.369 4.505 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869986 RUJLWZRPDYTTOZ-UHFFFAOYSA-N 549.487 4.679 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4044427 SXGIMHKKLFOXIO-FQICASNESA-N 536.560 4.786 5 1 KJBF CCC1=CN2CCC3=c4c(OC)cccc4=NC3=C2C=C1C1=CN2c3ccccc3[C@@]34CC[N@+]5(C)CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@@H]45 377815885 AAJSOHFSWPEFNN-SCRMJXMWSA-N 609.794 4.848 5 1 KJBF CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587663820 SITMETODKIDMQG-UHFFFAOYSA-N 532.601 4.989 5 1 KJBF CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3cccc([N+](=O)[O-])c3)C(=O)O[C@]12C 95609880 SKOMOESERJBFRP-GZXMRBOCSA-N 774.953 4.977 5 1 KJBF Cc1cccc2c1[C@@H](c1ncc(Br)cc1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903828 IHGXMKGIFHONMV-QRWLVFNGSA-N 506.353 4.787 5 1 KJBF COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 769979 MDLMZYXISPLSHR-RPLLCQBOSA-N 553.015 4.782 5 1 KJBF COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 4079713 ULTNLJZSNRAIGL-XNMGPUDCSA-N 553.015 4.782 5 1 KJBF O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 72173524 VHOFTJMURJVSIJ-RXJWUWLLSA-N 657.600 4.845 5 1 KJBF Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)cc1 103289602 QQKTXCFXDSDBOX-UHFFFAOYSA-N 563.035 4.557 5 1 KJBF O=c1/c(=C/c2c[nH]c3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 299824313 AMPHKLRMFIXTDR-MFCBUNOESA-N 504.571 4.708 5 1 KJBF Cc1cc([C@@]2(C)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ncn1 963216463 BUISCVFJHMRZJI-DLLPINGYSA-N 611.567 4.831 5 1 KJBF CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4208716 YQPQFNMSDBKBOK-AHWVRZQESA-N 537.956 4.826 5 1 KJBF CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1 49784531 IADZTDILSKIQTE-UHFFFAOYSA-N 556.479 4.546 5 1 KJBF biogenic NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262897 HILKWHAPICZENI-UHFFFAOYSA-N 588.568 4.774 5 1 KJBF CC(C)COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587264644 OWGXRYCSBCOMIU-WYRIXSBYSA-N 508.329 4.711 5 1 KJBF O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCc2[nH]c3c(Br)cccc3c2C1 2356871716 VEKMGOKRBQYCTC-WSOYGHIKSA-N 614.500 4.750 5 1 KJBF CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc3nc4ccccc4oc-3c(c2=O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 27208605 GBEUZXNQWGKGTB-PERPTWNHSA-N 619.715 4.753 5 1 KJBF CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 963068730 QKMKHTXWQOTBDQ-OWHZGTRUSA-N 525.558 4.562 5 1 KJBF COc1c(O)c2c(=O)cc3c([C@H](C)C(=O)C[C@H](C)O)c([C@H](C)C(=O)C[C@H](C)O)c4cc(=O)c5c(O)c(OC)c(OC)c6c(c1OC)c2c3c4c56 2356408065 SYKMKCFGVGJEJY-CAOSSQGBSA-N 686.710 4.819 5 1 KJBF COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 53243955 SBRROUXYYZSLPL-CFRMEGHHSA-N 548.529 4.800 5 1 KJBF O=C(O)c1cc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586925402 YXZZOVWQVNZSTI-UHFFFAOYSA-N 518.547 4.702 5 1 KJBF COc1ccc2c(c1OC)[C@@](C)(/C(=C/NOCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)N(C(=O)c1ccccc1N)CC2 963139774 IEHRGHAWAMSRGZ-BPVIDQAMSA-N 644.710 4.808 5 1 KJBF CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1 2356828993 PJKASWCVBHJELB-JIYQQSHASA-N 566.662 4.701 5 1 KJBF CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3ccccc3[N+](=O)[O-])C(=O)O[C@]12C 95614657 YRRDJKVNOIPBOE-ZBEQBWKJSA-N 774.953 4.977 5 1 KJBF 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CN(C)C(C)(C)COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 104964932 XBHRIOFIDVYWIK-HSZRJFAPSA-N 611.721 4.797 5 1 KJBF O=C(CCCCCNC(=O)c1ccc2c(c1)C(=O)O[C@]21C2=C(C=C(O)CC2)Oc2cc(O)ccc21)NCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O 169358451 HNQFIUIKKNSDAO-WVLDMTGVSA-N 934.985 4.807 5 1 KJBF CN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4scc(-c5ccc([N+](=O)[O-])cc5)n4n2)cn3C2CC2)CC1 1911585124 KOSZYBXNQMSSDV-UHFFFAOYSA-N 545.600 4.574 5 1 KJBF CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC 769137 RCFGBSNKRUPTBF-XNMGPUDCSA-N 567.982 4.835 5 1 KJBF COc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(OC)cc6nc45)c3nc2c1 28767821 RXROHBZACNSNBE-UHFFFAOYSA-N 617.710 4.768 5 1 KJBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@]2(c3ccccc3-c3nc4ccccc4nc32)[C@@H]1c1ccc(Br)cc1 1911583931 NISMCMVQGSIUDA-ONRXEWETSA-N 553.420 4.983 5 1 KJBF COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)N32)cc(OC)c1O 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MQUYWWKLAOXOOD-SAYRZEODSA-N 548.684 4.589 5 1 KJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCOCCO)cc1OCc1ccccc1 104326930 OZXAVTCBBZECGF-UHFFFAOYSA-N 567.982 4.897 5 1 KJBF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3)nc12 169307142 HQHAOVRQZQDIGW-MUUNZHRXSA-N 551.588 4.618 5 1 KJBF COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619481 GRRPSDAQOBONDV-UHFFFAOYSA-N 771.729 4.701 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 961785883 MLKHMTOBXXUXQH-MHMRIHGRSA-N 734.547 4.559 5 1 KJBF COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 4208685 AZZZIGCETSVBCD-AHKZPQOWSA-N 569.998 4.733 5 1 KJBF Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c3cc2o1 14826844 TYGDEPGAUFDWRF-JTQLQIEISA-N 516.458 4.662 5 1 KJBF biogenic CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)Cc1ccccc1 28520868 UNFVIIRKPCNDNB-UHFFFAOYSA-N 511.578 4.971 5 1 KJBF C[C@@H]1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F 84689787 MMLDRBOVCKDBGS-LLVKDONJSA-N 511.503 4.732 5 1 KJBF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618470 REOBNSUUUZAJFQ-UHFFFAOYSA-N 515.931 4.993 5 1 KJBF O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660413 DJMIYQVCSXCYKQ-UHFFFAOYSA-N 544.520 4.600 5 1 KJBF CC(=O)c1ccc2c(c1)[C@@]1(c3cccc([N+](=O)[O-])c3C(=O)c3cccc([N+](=O)[O-])c31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629361 NFLDLNIKDRZHOX-YUDQIZAISA-N 587.541 4.788 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 4208654 SMBUHNNXXSGCNR-BDYUSTAISA-N 569.998 4.733 5 1 KJBF CC[C@H]1OC(=O)/C(C)=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NC/C=C/c3ccc([N+](=O)[O-])o3)C(=O)O[C@]12C 169368160 JOFSVIIIBARHRV-KODMGURBSA-N 762.898 4.651 5 1 KJBF CC(C)COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587264641 OWGXRYCSBCOMIU-NSPYISDASA-N 508.329 4.711 5 1 KJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587267752 PUKGHPQXQQQYCG-CYBMUJFWSA-N 525.477 4.867 5 1 KJBF CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 587295086 WMVHVSNFPNMTQG-RLOMTKROSA-N 919.722 4.792 5 1 KJBF O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)c([N+](=O)[O-])c2)C1 206891615 VXOPIGNHBPDYNO-ABYGYWHVSA-N 611.655 4.922 5 1 KJBF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc([N+](=O)[O-])ccc5N5CCCC5)[nH]c4c3)cc2)CC1 587268667 AYMXAWFEJQIAOF-UHFFFAOYSA-N 539.640 4.738 5 1 KJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)N1 587679192 DUNKZKRCJUQLNU-XYZCENFISA-N 514.149 4.720 5 1 KJBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 963172071 CJUZSAQSPLOBNK-RBBKRZOGSA-N 554.930 4.929 5 1 KJBF CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213860 IFYOBMDCYCOHHO-JPHOQXHRSA-N 691.646 4.817 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(F)cc1 770533 OEMIRRDKVOPMFI-AHKZPQOWSA-N 537.544 4.601 5 1 KJBF O=C(CCNCCC(=O)Nc1ccc2ccc3cccnc3c2n1)Nc1ccc2ccc3cccnc3c2n1 299866171 OOSKRUSMAXYJPF-UHFFFAOYSA-N 515.577 4.826 5 1 KJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587264912 QDCQAIMNEHCYEG-LAJNKCICSA-N 580.501 4.733 5 1 KJBF COC(=O)Cc1ccccc1[C@H]1N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963022519 PXHRDIWDRQRTTC-JDXGNMNLSA-N 517.585 4.639 5 1 KJBF O=C(O)c1cccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)c1 58569255 XOBQVSZXUIREJU-JXMROGBWSA-N 539.285 4.767 5 1 KJBF O=C(CNC(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)c2)cc1)COC(=O)c1c2ccccc2cc2ccccc12 70463278 FGRPDKIEOFQXET-UHFFFAOYSA-N 574.589 4.777 5 1 KJBF COc1ccc(CCNc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1 105113280 POEFQTJCVDNVFZ-UHFFFAOYSA-N 588.665 4.735 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 587273232 RYKCZMUYDWRSIE-MHZLTWQESA-N 677.626 4.788 5 1 KJBF CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577560 SQXZMGAJYSTRGH-SVEHJYQDSA-N 526.501 4.970 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 4075438 VWPQXYWLBZUCHC-XNMGPUDCSA-N 553.015 4.782 5 1 KJBF COc1ccc(CN(C)C[C@@H](O)COc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc2)cc1OC 49918003 FDEQJOGPEDMRCK-HSZRJFAPSA-N 597.668 4.831 5 1 KJBF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCC(=O)O)c3cccc([N+](=O)[O-])c3)nc(Cl)nc21 963917588 XDZVIPLGRCDOSI-AREMUKBSSA-N 536.976 4.846 5 1 KJBF CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NC)c21 28524706 GYUAKSVCROPFGA-UHFFFAOYSA-N 528.635 4.935 5 1 KJBF O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4nnc(SCc5cccc([N+](=O)[O-])c5)s4)CC3)c(F)cc2c1=O 28527775 RLCXPWUPPWBLBE-UHFFFAOYSA-N 582.639 4.552 5 1 KJBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3ncnc(Sc4ccccc4)c32)OCc2ccccc21 29128008 KGSGEMMZNDJKRE-QHCPKHFHSA-N 560.617 4.810 5 1 KJBF CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c2sc3ccccc3c(=O)c12 100895169 NOZVNHYZNBQXOH-UHFFFAOYSA-N 509.697 4.955 5 1 KJBF COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1 103169277 ICABRSBWQMLMPB-CLMUKVTESA-N 504.520 4.995 5 1 KJBF Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3)nc12 169307143 HQHAOVRQZQDIGW-NDEPHWFRSA-N 551.588 4.618 5 1 KJBF NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1 299827270 GBKWJKOEXMBMQD-UHFFFAOYSA-N 633.704 4.762 5 1 KJBF CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC 587670311 UVDIGKHCZPDGDO-UHFFFAOYSA-N 555.547 4.691 5 1 KJBF COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748546 VQAPWUSVOHWCSC-DIYIFRAKSA-N 507.356 4.519 5 1 KJBF C[C@@]1(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc([nH]2)[C@@H]1CCC(=O)O)[C@](C)(CC(=O)O)[C@H]5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O 2356812581 BKDMYXHMWLSIDL-UJTBVGRBSA-N 862.842 4.694 5 1 KJBF COc1ccc(CCN(C)c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 105177072 MRKQSGBEZLCLAR-UHFFFAOYSA-N 559.598 4.860 5 1 KJBF CN(C)Cc1ccc(CSCCNc2cc(Nc3ncccc3[N+](=O)[O-])c([N+](=O)[O-])cc2[N+](=O)[O-])o1 36286852 FYRCWIJBSJSDHG-UHFFFAOYSA-N 517.524 4.550 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587620498 DHPQYEKSRJZJDB-FQEVSTJZSA-N 546.602 4.502 5 1 KJBF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653793639 GTTKYEXGNWQYRL-NPMXOYFQSA-N 509.950 4.696 5 1 KJBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)N12 962649488 XFYAIOZBVPIBHH-MVSFAKPFSA-N 537.620 4.658 5 1 KJBF C[C@@]1(C2(O)CCCC2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963216667 CBHBZXLPWGIZST-NGQVCNFZSA-N 603.584 4.989 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541640 GKBOHFHFNHXWKX-JIPXPUAJSA-N 555.923 4.553 5 1 KJBF CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 4046240 PYGFCBZBBJAOOT-UKILVPOCSA-N 572.496 4.696 5 1 KJBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)N12 962649484 XFYAIOZBVPIBHH-IZEXYCQBSA-N 537.620 4.658 5 1 KJBF Cc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 72136685 YDPQNAKKLCUVJC-QFIPXVFZSA-N 539.548 4.619 5 3 KJBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 4043367 WAABWUGJKBMFOA-ZCYQVOJMSA-N 510.953 4.904 5 1 KJBF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621643 YQLDNYICZRLQTG-INIZCTEOSA-N 588.639 4.787 5 1 KJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 587746756 LDKGTSBTNKVDAX-DLUDVSRJSA-N 524.346 4.570 5 1 KJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587750301 HKPYAVNNCAQUBA-YDGUKXNOSA-N 511.303 4.565 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 961789194 RLAQSIIVCLZIRI-NGCAANIMSA-N 647.515 4.885 5 1 KJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 587265816 XXFMIVMDZGYRDY-HNNXBMFYSA-N 540.554 4.632 5 1 KJBF CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC 587669460 NEUDRMXMAXCQEN-MRXNPFEDSA-N 519.558 4.559 5 1 KJBF CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 4037155 BJDJIWSJPMVYRH-AHWVRZQESA-N 536.972 4.711 5 1 KJBF O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104962141 HGSFNCSZYOCPBS-DEOSSOPVSA-N 548.646 4.931 5 1 KJBF COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 253920649 JIRMJXZEKAMOEK-XNZIZSAOSA-N 533.968 4.567 5 1 KJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586948878 PTNIUZWCQUHAHD-UHFFFAOYSA-N 540.501 4.541 5 1 KJBF COC(=O)c1cc(Sc2cc(C(=O)OC)c3nc4cccc(C(=O)O)c4nc3c2O)cc2nc3c(C(=O)O)cccc3nc12 85642109 UHLDAFHHLLDMRD-UHFFFAOYSA-N 610.560 4.706 5 1 KJBF CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104962101 OHKWNFKJCXFIQR-QFIPXVFZSA-N 542.683 4.634 5 1 KJBF CCC[C@H](C)OC(=O)[C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O[C@H](C)CCC)NC(=O)OCc1ccccc1 169371397 NMABHUNJOZPZQK-GJHDXROTSA-N 747.824 4.735 5 1 KJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587107011 GOYAKDLKCSMARC-ZDUSSCGKSA-N 519.299 4.778 5 1 KJBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccc(Br)cc3c2c(=O)n1CC(=O)O 1857630813 CRLXRLNNQHNYHH-UHFFFAOYSA-N 503.150 4.530 5 1 KJBF COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 772638 KULWHYQTRLYTNF-ILBGXUMGSA-N 525.945 4.682 5 1 KJBF O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4052550 ATMNYZJGXJRSTB-GGAORHGYSA-N 529.427 4.630 5 1 KJBF CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 26725927 KCUCPEWBDAFYOT-DHUJRADRSA-N 694.877 4.900 5 1 KJBF CNC(=S)N(C)[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 27329220 NTUVEMUMVHHACY-SSRZRBEUSA-N 539.661 4.571 5 1 KJBF CC(C)CCC[C@@H](N)[C@H]1CCN2[C@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 96142440 LOTNQNJRNGMAMB-QNHZAXHBSA-N 633.939 4.934 5 1 KJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 586949145 RHPLVOCYGILSQK-UHFFFAOYSA-N 673.733 4.846 5 1 KJBF COc1ccc(C[N@+]2(C)CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc12 1857610037 HMVDMOVOBLHOKR-QNGWXLTQSA-O 535.668 4.823 5 1 KJBF COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])cc1 13878929 VTWMBGNYXSQTBQ-MHZLTWQESA-N 526.593 4.687 5 3 KJBF CC[C@@]12C[N+]3([O-])Cc4c([nH]c5ccccc45)[C@@](OC(C)=O)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C[C@@H]1O2)C3 95616024 OQIDYYPJIGSADF-XZIKOOKASA-N 824.972 4.715 5 1 KJBF Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)CC6=O)c(=O)cc(O)c3c(O)c2c(O)c1C 2356606986 LKPYTSCQUKSTQT-VIFPVBQESA-N 530.485 4.971 5 1 KJBF CCCCN(CCCC)CCCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59785707 TZUMYVUKJFQLHJ-POURPWNDSA-N 535.689 4.608 5 3 KJBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774658 HEFANMQVKSDUEK-GUYCJALGSA-N 503.939 4.724 5 1 KJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4079055 SEFITRUUJHAYHX-ILBGXUMGSA-N 508.962 4.731 5 1 KJBF CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCOCC[N+]34CCN(CC3)CC4)cc2)[C@H]1O 28525240 AEIIUJJQHJHHGW-VSJLXWSYSA-N 642.927 4.941 5 1 KJBF COc1c(NC(=O)[C@H]2CC[C@H](COc3ccc([N+](=O)[O-])cc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 103024886 LUDYWEIXJWRJRZ-IYBDPMFKSA-N 553.543 4.914 5 1 KJBF COc1cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc([N+](=O)[O-])c1I 962949199 CBQQFZINSMVDST-IBGZPJMESA-N 548.299 4.968 5 1 KJBF CC(=O)[C@H]1C(=O)N(C)c2ccccc2[C@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963242344 YGGVGGQOJNPNOX-BQAGTUHJSA-N 692.637 4.894 5 1 KJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccccc2F)cc1 774322 NIJVPHOLRWNPJL-UHFFFAOYSA-N 505.458 4.766 5 1 KJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4079077 SEFITRUUJHAYHX-NOZRDPDXSA-N 508.962 4.731 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587750296 HKPYAVNNCAQUBA-APXPCNQMSA-N 511.303 4.565 5 1 KJBF CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc3nc4ccccc4oc-3c(c2=O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O 195283042 GBEUZXNQWGKGTB-NDXSJIKLSA-N 619.715 4.753 5 1 KJBF CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 587656324 JXMDUWIOMDNGSV-UHFFFAOYSA-N 591.571 4.996 5 1 KJBF CC[C@H](C(=O)OC)[C@@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963218072 FYUSWCPULQBBKZ-WJFIMHFKSA-N 619.583 4.883 5 1 KJBF COc1c(Cl)ccc2c(=O)c3c(O)c4c5c(c3oc12)OCO[C@@H]5Cc1c-4c(O)c2c(O)nc(C)cc2c1O 2356729409 FRHNWMLBXWSDRM-CYBMUJFWSA-N 535.892 4.918 5 1 KJBF O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 103180710 QKCPKMUVKPBDFU-ONEGZZNKSA-N 547.615 4.704 5 1 KJBF O=C1c2cccc([N+](=O)[O-])c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 587579136 YYHPUTNJQBCDCC-WNCULLNHSA-N 510.414 4.658 5 1 KJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 587606954 KDXKDRZZILMRAF-RPLLCQBOSA-N 517.515 4.977 5 1 KJBF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@H]1c1cc([N+](=O)[O-])ccc1SCCSc1ccc([N+](=O)[O-])cc1C=O 961783203 LZAGDISOHZHFIE-ODTVBPJYSA-N 743.820 4.981 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CC[C@@H]6CCc7cc(O)ccc7[C@]562)[C@@H]1O)[C@@]34O 2356454597 QGZROHKBCGDASQ-XCZQUWGASA-N 828.959 4.617 5 1 KJBF 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4.735 5 1 KJBF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 586952057 FFEYWVLNGUUMFC-SEYXRHQNSA-N 635.706 4.957 5 1 KJBF Cc1nn(Cc2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587268266 ZHCJWVLOHFUXIA-UHFFFAOYSA-N 508.707 4.653 5 1 KJBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 772631 XBCIDHNOMUKQQX-UKILVPOCSA-N 527.936 4.855 5 1 KJBF CN1CCN(c2cccc(-c3nnc(-c4ccc(OCC(=O)NCc5ccc(C(F)(F)F)cc5)c([N+](=O)[O-])c4)o3)c2)CC1 49746832 CHUXOTDLUQHCPF-UHFFFAOYSA-N 596.566 4.778 5 1 KJBF Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(CCC(=O)O)=C5CC(=O)O)c(CCC(=O)O)c4C)C(CC(=O)O)=C3CCC(=O)O 85552182 NTILFDFSYFWZAA-UHFFFAOYSA-N 742.738 5.467 5 1 KJBF endogenous,in-man COc1ccc([C@@H]2CC(c3ccc(OCc4cn(Cc5ccc([N+](=O)[O-])cc5)nn4)cc3)=NN2C(C)=O)cc1OC 98081854 FTAJVPLDTDAGFD-MHZLTWQESA-N 556.579 4.528 5 1 KJBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12N1CSC[C@@H]1[C@@H](c1ccc(Br)cc1)[C@]21C(=O)Oc2ccccc21 1772634477 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COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O 587432391 JVEJWTBRPGBZFW-TZIKNBDESA-N 513.502 4.702 5 1 KJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 769166 SBHBGUJTVGBWIR-ILBGXUMGSA-N 525.945 4.682 5 1 KJBF COc1ccc(CCNc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc3cc(OC)c(OC)cc23)cc1 105116466 GSYYPOIWSOJXFX-UHFFFAOYSA-N 614.703 4.890 5 1 KJBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Br)cc4)cc3c(=O)c2c1 169321934 WWPALHJCLPQMGK-OAHLLOKOSA-N 501.354 4.939 5 1 KJBF CC(=O)CSc1nc(SC[C@]2(C)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)c2sc3nc4ccccc4n3c2n1 962039451 AHHPXSZFVHMKRG-VBAJVPKMSA-N 753.932 4.872 5 1 KJBF CC(=O)c1ccc2c(c1)[C@@](C)(c1cc(N3CCCC3)ccc1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962622364 CRNDNZMAYZSWDB-CUBQBAPOSA-N 523.586 4.908 5 1 KJBF COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C 85907195 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4.986 5 1 KJBF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59785766 HDXFUOZHNREKOS-ZEQKJWHPSA-N 524.499 4.535 5 3 KJBF aggregator CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4075866 BHBBKZVMPXOOHB-PQHLKRTFSA-N 592.649 4.536 5 1 KJBF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586948778 KZEBQZQKQALUJT-UHFFFAOYSA-N 512.544 4.663 5 1 KJBF CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 4080186 SYDXCBOUKXCBCR-RSXGOPAZSA-N 536.972 4.711 5 1 KJBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 4154027 BZZGLWKYDUQQHD-OWSXEPHWSA-N 559.019 4.864 5 1 KJBF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586956915 ZHMVLKGFOQMQNL-UHFFFAOYSA-N 529.372 4.661 5 1 KJBF CN(OCc1ccc([N+](=O)[O-])cc1)C(=O)CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C 1857558727 TXFAOSGVRDDDDH-UHFFFAOYSA-N 560.537 4.585 5 1 KJBF COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC 773522 IFAALSPZQFMCPF-UHFFFAOYSA-N 521.457 4.732 5 1 KJBF O=C(O)CCNc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F 13589481 GTJWSVIQRCGMJS-UHFFFAOYSA-N 506.403 4.846 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@H](c2ccc(N3CCOCC3)o2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230765 HWZRBZUTKXWMSL-ABYGYWHVSA-N 656.604 4.988 5 1 KJBF COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109796 NREARHRLKIEIGH-UHFFFAOYSA-N 506.462 4.890 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 587619468 FVOOKPZKHDWLBI-UHFFFAOYSA-N 563.466 4.864 5 1 KJBF CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1[N+](=O)[O-] 587621076 NACKREPGWDQJBE-UHFFFAOYSA-N 554.537 4.566 5 1 KJBF COC(=O)c1cc(Br)cc2c1-c1ccc([N+](=O)[O-])cc1[C@]21N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968336 CHGUYFUCNSRMPJ-KOSHJBKYSA-N 579.737 4.947 5 1 KJBF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OCc4cn(Cc5ccc([N+](=O)[O-])cc5)nn4)c(OC)c3)C2)cc1 98082589 FSAHGVVTZORJBF-MHZLTWQESA-N 556.579 4.528 5 1 KJBF CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc(O)cc2)c1 223389726 VILUOIFKDXYXKG-DEOSSOPVSA-N 520.582 4.995 5 1 KJBF CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]1C 238765645 NVQQQLFKNVLXKA-QRJNXRIGSA-N 521.566 4.959 5 1 KJBF CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014692 JPATVLJLLRSVIC-QXNWPYRLSA-N 620.014 4.927 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3[C@@H]4CC[C@H](O)[C@H](C5(c6ccc(O)cc6)CCCCC5)[C@@H]4O[C@H]1[C@]32O 2356360918 RGZXFQQZICIGNC-BGFOWDSMSA-N 747.841 5.000 5 1 KJBF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](COC(=O)c1cccc([N+](=O)[O-])c1)C2 13825452 STXMRWIOTMDYCK-QGZVFWFLSA-N 523.563 4.866 5 1 KJBF CN(C)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](NS(=O)(=O)c4ccc(C(F)(F)F)cc4[N+](=O)[O-])C(=O)O)cc3)cccc12 96179303 QHAIMOJHYNFYOT-QFIPXVFZSA-N 667.640 4.575 5 1 KJBF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2O)cc1Cl 587618156 NTRSZVSCCPDQKH-UHFFFAOYSA-N 503.920 4.920 5 1 KJBF O=C(C[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 653716344 MODOTKSGOBXOFC-QFIPXVFZSA-N 509.522 4.635 5 1 KJBF CNS(=O)(=O)c1cccc([C@]2(C)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963225474 NLDDHQZPPULTKQ-VCTRWQRLSA-N 688.671 4.641 5 1 KJBF Cc1cc2c(cc1O)[C@](c1ccc([N+](=O)[O-])cc1)(c1ncc(C(F)(F)F)cc1Cl)N[C@H](C(=O)O)C2 963472183 PDMQCSLMNPKIJH-PGRDOPGGSA-N 507.852 4.567 5 1 KJBF CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4155155 CYEPUSYUYYGEQO-JDXGNMNLSA-N 593.633 4.869 5 1 KJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)cc2)nc1C(F)(F)F 587119576 YMTAMYUQFPKUDB-UHFFFAOYSA-N 519.383 4.695 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587573769 CXMDREQDUAZNGY-SHQCIBLASA-N 518.522 4.783 5 1 KJBF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653788982 QIZIADMZXFUUMW-NPMXOYFQSA-N 554.401 4.805 5 1 KJBF O=C(C[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21)Nc1ccc([N+](=O)[O-])cc1 962926757 VCHCGQPXCMREHO-FIBWVYCGSA-N 539.544 4.964 5 1 KJBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963239387 QLWPLUKZJHJJFM-JCVFDAPQSA-N 726.607 4.753 5 1 KJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c([S@@](=O)c3ccc(Cl)cc3)cc(Cl)cn12 1857565285 QLAJDKKBLZOGMO-HKBQPEDESA-N 510.380 4.690 5 1 KJBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 587376560 JINDIDUTERFMSG-IBGZPJMESA-N 501.337 4.516 5 1 KJBF O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@@H](c2c[nH]c3ccccc23)N2CCOCC2)c([N+](=O)[O-])c1 1772642288 GDPQNACKZIOCIV-ITHJLQSDSA-N 544.568 4.502 5 1 KJBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 4208624 PBYOINCRVGKIHF-IGKIAQTJSA-N 569.998 4.733 5 1 KJBF COc1ccc([C@H]2Sc3cc(F)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 27736844 SPCTVFIJGVRIBZ-JWQCQUIFSA-N 539.585 4.710 5 1 KJBF CCn1c(=O)c2c(c3ccccc31)OC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)[C@]21NCCc2cc(C)c(F)cc21 962298417 LWCMZPQSCVSPRD-DJUQAAIZSA-N 527.552 4.544 5 1 KJBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC 767015 AAFZKWMGOXXTPG-LADGPHEKSA-N 540.370 4.783 5 1 KJBF CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 253868797 GRIVDARKNIXUML-CBOPLTIVSA-O 608.115 4.514 5 1 KJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587264914 QDCQAIMNEHCYEG-QKVFXAPYSA-N 580.501 4.733 5 1 KJBF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(c3cc(O)ccc3C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1O2 963668673 QYDRZIQKZYDYPC-BQAGTUHJSA-N 672.735 4.504 5 1 KJBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587340388 HKQVEEOXGMUJHS-MUAVYFROSA-N 540.459 4.567 5 1 KJBF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774650 DVJSICIIQDSFAS-MRXNPFEDSA-N 521.913 4.632 5 1 KJBF CC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 101059532 OWAUSXIFTVKJHO-DNQXCXABSA-N 519.476 4.711 5 1 KJBF O=[N+]([O-])c1ccc(Nc2nc3nonc3nc2Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 103950758 MUAMRXCIXRHEBJ-UHFFFAOYSA-N 552.099 4.841 5 1 KJBF C[N+](C)(C)Cc1cc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C[N+](C)(C)C)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1857544920 CRPMHDQEBZQKBT-UHFFFAOYSA-N 790.786 4.934 5 1 KJBF COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 775247 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Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@H]1C(=O)c1ccc([N+](=O)[O-])cc1 1857606744 AFMVOUNWZDCZJI-OIHKZJFISA-N 600.639 4.578 5 1 KJBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 13878934 GTQTUGBHWNTFQV-OAQYLSRUSA-N 517.424 4.767 5 3 KJBF CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc([N+](=O)[O-])cc3s2)cc1 27517702 GLQOZKCGEADOJJ-XVYJZYCRSA-N 576.679 4.977 5 1 KJBF CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 95591279 DHWSEXMNXLGQJB-HRSZXCBJSA-N 690.702 4.957 5 1 KJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587266182 WQBPPEMNNPZVDD-IBGZPJMESA-N 572.626 4.595 5 1 KJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])N1 587746758 LDKGTSBTNKVDAX-HWRSSNJWSA-N 524.346 4.570 5 1 KJBF C[C@]1(c2cc(C(=O)O)[nH]c2[N+](=O)[O-])c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962471230 COYIEEZPBYCZHK-FYBSXPHGSA-N 568.542 4.540 5 1 KJBF CN(C)CCCNc1cc2c(=O)n(CCCN(C)C)c(=O)c3ccc4c5c(Br)cc6c(=O)n(CCCN(C)C)c(=O)c7ccc(c1c4c32)c5c76 28820457 ZRZIYOQRSUSFAB-UHFFFAOYSA-N 739.715 4.993 5 1 KJBF O=C(NCCCC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1)OCc1ccccc1 104964400 YFALNELAYFAFTB-RUZDIDTESA-N 622.748 4.516 5 1 KJBF CC(C)CCC[C@H](N)[C@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)OCCN(C)CC[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693619 LOTNQNJRNGMAMB-LFGDBANYSA-N 633.939 4.934 5 1 KJBF Cc1onc(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079423 JVPCEWGJZMITMB-UHFFFAOYSA-N 548.368 4.787 5 1 KJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 1772652786 QVYGGTZFIPSSNF-UHFFFAOYSA-N 538.323 4.644 5 1 KJBF CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 6003448 HWNVVVWWPODNPW-NRFANRHFSA-N 566.504 4.807 5 1 KJBF COc1ccccc1CNc1nc(N2CC[C@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12 105132671 XWMCLBIQCZVGMT-QHCPKHFHSA-N 600.676 4.894 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 587266814 PEPJVMXOIBZXDX-UHFFFAOYSA-N 595.609 4.893 5 1 KJBF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)nc(Cl)nc21 963916766 UWKIGNMQOVGHOW-VWLOTQADSA-N 563.062 4.578 5 1 KJBF O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c([N+](=O)[O-])c1 1772623239 CJFJAUJGERRKET-ARMFNRFLSA-N 539.976 4.674 5 1 KJBF CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)OCc5cn(-c6cccc([N+](=O)[O-])c6)nn5)CC[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 1857648452 XDWVFQFHDQWVGC-WOLINTIQSA-N 994.193 4.813 5 1 KJBF CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O 85551983 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CCOc1ccc(-c2nn(C(=O)/C(=C\c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)cc1OCC 587669465 NHIRZMLQUYPLQZ-XQNSMLJCSA-N 542.548 4.587 5 1 KJBF C[C@]1(CF)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963231843 ZXYGJRRPXXGIDN-IDISGSTGSA-N 551.483 4.654 5 1 KJBF O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 769333 NENZJDGOCTXVGV-XPNTWCBSSA-N 500.338 4.843 5 1 KJBF Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)CC1 44306208 OMFAWRKHHVWVPP-UHFFFAOYSA-N 595.559 4.567 5 1 KJBF Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 82178419 BDHIAJRXXMVUAK-UHFFFAOYSA-N 707.745 4.805 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(CC(=O)O)c2c1 587620088 WZVZTCYLMFPPDN-UHFFFAOYSA-N 560.382 4.942 5 1 KJBF O=C(O)[C@H]1CCC[C@@]2(C1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963239247 ORRKRUGGUVEZAP-NZVCNKAGSA-N 617.567 4.939 5 1 KJBF COc1ccc(N/C=C(\[C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)[N+](=O)[O-])cc1 963444410 GTNFSKABZJRPMM-QVISHPLYSA-N 512.522 4.600 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3[C@@H]4CC[C@H](O)[C@H](C5(c6ccc(O)cc6)CCCCC5)[C@@H]4O[C@@H]1[C@]32O 2356360921 RGZXFQQZICIGNC-YAULJAAJSA-N 747.841 5.000 5 1 KJBF COc1cc([C@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O 72105193 KPGFCKMSZZYQFS-HMAILUFVSA-N 667.516 4.769 5 1 KJBF COc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)ccc1OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 98083468 BIIMCLZHRILNCF-AREMUKBSSA-N 616.631 4.546 5 1 KJBF COc1cccc(OC)c1CNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 105164178 PJDUMMBJUNWPDP-UHFFFAOYSA-N 531.544 4.793 5 1 KJBF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618821 WEYHJBARENWJRF-UHFFFAOYSA-N 529.958 4.921 5 1 KJBF C[C@H](CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC(=O)N[C@H](CCCN)C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 2356703694 PPFISAQUKQQDHW-NNCHXHQWSA-N 676.851 4.592 5 1 KJBF CO[P@](=O)(O)[C@@H](COCC[C@H](CC(C)C)NC(=O)OCc1ccccc1[N+](=O)[O-])NC(=O)OCc1ccccc1 205700520 APKIDCQZPCXOCY-VWNXMTODSA-N 581.559 4.727 5 3 KJBF COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccn4c(=O)c5ccccc5nc34)cc2)cc1OC 26493504 CLGOBZSEDITJOT-UHFFFAOYSA-N 552.631 4.671 5 1 KJBF CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 28970934 FYYBTRQVWOHGKB-KNJLRNSFSA-N 575.574 4.729 5 1 KJBF CC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C(=O)N2 52955735 FTCVZLUSWALWFM-WUFINQPMSA-N 569.618 4.879 5 1 KJBF COc1cc2c(cc1OC)CN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)c1sc4ccccc4n13)CC2 101457054 MPFBNKOFZYRMCP-UHFFFAOYSA-N 531.546 4.854 5 1 KJBF O=C(C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 473082033 FNLHDZVUWORDRZ-PMERELPUSA-N 563.595 4.925 5 1 KJBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCc3ccccc3)c2cc1OC 82131181 WKEPKONMTDUMIF-UHFFFAOYSA-N 528.613 4.927 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])c1 587266010 IHUDFDZHPBMCOT-UHFFFAOYSA-N 661.304 4.625 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 4079905 NYCGYOOPOXWFCL-LMSSTIIKSA-N 562.623 4.745 5 1 KJBF CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12 42964506 AYQJKZGHELPXIW-UHFFFAOYSA-N 632.765 4.546 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(=O)NC3CC3)c2c1 587617258 CILDFZSWCPFNEX-UHFFFAOYSA-N 568.995 4.667 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587744254 COIFUKBGLKMGNP-QKFKETGDSA-N 520.399 4.900 5 1 KJBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1I 587738184 LBBHQMDYHPMHGF-RBHXEPJQSA-N 521.124 4.733 5 1 KJBF 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C[C@H]1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F 84689788 MMLDRBOVCKDBGS-NSHDSACASA-N 511.503 4.732 5 1 KJBF CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 261103164 GVAQMKQFUDBPGS-CBOPLTIVSA-O 608.115 4.514 5 1 KJBF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)OCC)c1C 587621162 QMHNVDKPIFTBTI-UHFFFAOYSA-N 584.607 4.851 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 4078303 NGDVJFVWUODHSW-IGKIAQTJSA-N 569.998 4.733 5 1 KJBF CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])nc3C)c(=O)c3ccccc23)c(O)c1 587663382 BZPONDDYKYIZSJ-UHFFFAOYSA-N 532.601 4.929 5 1 KJBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)CN3CCNCC3)c(Cc3ccccc3)cc2c1 43014348 PATGIWFGPBFVGX-SANMLTNESA-N 502.546 4.604 5 1 KJBF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3 587290209 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CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@@H](C)CN(C)C[C@@H]2COc3ccccc3O2)[C@H]1c1cccc([N+](=O)[O-])c1 29211270 AQJFPGACBHLIGF-NXAXAFMASA-N 551.596 4.546 5 1 KJBF COCCOc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1[N+](=O)[O-] 587264827 KMCRBHRKOAOZNH-UHFFFAOYSA-N 502.936 4.618 5 1 KJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587264915 QDCQAIMNEHCYEG-XUSGNXJCSA-N 580.501 4.733 5 1 KJBF CCOC(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619241 DLLWPFHHFFYIKF-UHFFFAOYSA-N 513.503 4.868 5 1 KJBF CN1CCN(c2cc(C(F)(F)F)cnc2[C@]2(c3ccc([N+](=O)[O-])cc3)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)CC1 963154323 WWHOUDIMEOQMIC-RBISFHTESA-N 648.664 4.755 5 1 KJBF CC(C)CCC[C@H](N)[C@@H]1CCN2[C@@H]3OC=C4C[C@@H](OC(=O)CCC(=O)O[C@@H](CN(C)C)C[N+](C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169693609 BHDCSFWYBOTMAF-KLDKDBCFSA-N 633.939 4.933 5 1 KJBF CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C 29231400 ICGCDDLXSSTUKM-NRFANRHFSA-N 673.718 4.614 5 1 KJBF CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O 195258880 NFPKWCXLFZKXLR-CCHNOFNASA-N 818.921 4.749 5 1 KJBF CO[C@@H]1[C@H](N(C)C(C)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 238786612 GRENHRYHWHSBLM-OCGXLOOESA-N 508.578 4.613 5 1 KJBF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CN(C)C)cc1F 587620022 OOJXLUUZNWFYPC-UHFFFAOYSA-N 528.562 4.762 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](C(O)O)C3(c4ccc(O)cc4)CCC4(CCCC4)CC3)O[C@H]12 2356357827 VZRXXSBAVQTXRE-PTHVHQLUSA-N 767.872 4.935 5 1 KJBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 4056006 KCKGYULONVJSGH-ILBGXUMGSA-N 525.945 4.552 5 1 KJBF CN(C)CCC(=O)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CCN(C)C)cc5)c4[nH]c23)cc1 49680290 CQHFDZVNHSCRKZ-UHFFFAOYSA-N 661.763 4.966 5 1 KJBF COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149445 GKWXVUYNHIKEBS-QZTJIDSGSA-N 505.575 4.799 5 1 KJBF Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCSCC4)c3Cl)c2n1 95540181 YJBRLIUTIXOWRV-LJAQVGFWSA-N 780.865 4.766 5 1 KJBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 4043360 WAABWUGJKBMFOA-UKILVPOCSA-N 510.953 4.904 5 1 KJBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 586941850 XHTRZZZXDCLIJT-UHFFFAOYSA-N 514.429 4.709 5 1 KJBF O=S(=O)(Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc2c(c1)OCCO2 586949977 KKBLTIZZUWWBFM-UHFFFAOYSA-N 509.547 4.898 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3[C@@H]4CC[C@H](O)[C@H](C5(c6ccc(O)cc6)CCCCC5)[C@@H]4O[C@@H]1[C@@]32O 2356360920 RGZXFQQZICIGNC-PBIDYMOSSA-N 747.841 5.000 5 1 KJBF COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82135694 ZIYPWRHYTVGSOL-PMACEKPBSA-N 533.629 4.866 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c([N+](=O)[O-])c1 587267033 SOJKBOGATTZYMH-UHFFFAOYSA-N 693.135 4.555 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4044423 SXGIMHKKLFOXIO-OWMKWSJFSA-N 536.560 4.786 5 1 KJBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc3n(C)c12 26291071 AVPDFVWTPKVVLU-UHFFFAOYSA-N 570.738 4.929 5 1 KJBF Cc1cccc(C)c1-n1c(=O)c2cnc(Nc3ccc(OCCN(C)C)cc3)nc2n2c3ccccc3nc12 29135996 MRZJQHJHMLBKTE-UHFFFAOYSA-N 519.609 4.882 5 1 KJBF CCOC(=O)c1cc([C@@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 29559765 XUNHRHXSBUZVTP-LJQANCHMSA-N 533.773 4.852 5 1 KJBF CCOC(=O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723460 YFCXFZIVIKSHBF-MBNXQSCSSA-N 507.499 4.771 5 1 KJBF COC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 587104840 KKXQKNYJCLJHBJ-ZBLYBZFDSA-N 512.518 4.781 5 1 KJBF CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccccc2Br)cc1 769502 VDVKWANMPUDIEC-UKILVPOCSA-N 567.396 4.560 5 1 KJBF CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 27075248 SPULWNYHMWGKTL-DZMJNENTSA-N 688.851 4.891 5 1 KJBF CC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2c([N+](=O)[O-])cccc21 96236945 QPIVWEONKJJPRQ-BJKOFHAPSA-N 519.476 4.711 5 1 KJBF O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 104954471 XEGRXEFHYGSYCS-INIZCTEOSA-N 534.516 4.786 5 1 KJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587262238 GQOHDUVHDKWWCP-NRFANRHFSA-N 600.676 4.865 5 1 KJBF CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 587663933 TUROSDQDMAZBRS-UHFFFAOYSA-N 518.574 4.621 5 1 KJBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 4045524 JFKVEQYKKWVKDK-ANJVHQHFSA-N 558.035 4.532 5 1 KJBF CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 64453846 CUTGRNTTWOBKQV-JOCHJYFZSA-N 518.551 4.889 5 1 KJBF CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)N(C(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1772589592 ZBYWXDXHWIANMK-BVZFJXPGSA-N 537.594 4.682 5 1 KJBF O=C(CCCSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 1857750811 PCKAQWOVPIHTRK-VWLOTQADSA-N 550.637 4.658 5 1 KJBF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccco4)[C@@H](C2)[N@@+](C)(CC2CC2)CC[C@]315 473182998 GJVHYDPMBFFYHP-CUTKMIFBSA-N 506.663 4.874 5 1 KJBF COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 586947803 GGFXCDUTEXEIMU-UHFFFAOYSA-N 503.334 4.710 5 1 KJBF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 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638.629 4.780 5 1 KJBF CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)c2[N+](=O)[O-])cc1 42807349 JRHLLUIOJYVERA-UHFFFAOYSA-N 589.556 4.985 5 1 KJBF COc1cccc(OC)c1CNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135674 DBQTVRUYGVEWEC-HDICACEKSA-N 505.575 4.799 5 1 KJBF C[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)[C@H](CCO[C@H]3N1c3ccccc3[C@]34CC[N@+]6(C)C[C@H]7CCO[C@@H]5[C@H]([C@H]7C[C@@H]36)[C@H]14)C2 253810673 WCXHHUJNGABRON-OASPERTCSA-N 618.866 4.716 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c2c1 587620172 REVZHMHEUBVQKW-UHFFFAOYSA-N 513.503 4.737 5 1 KJBF COc1ccc2c(c1OC)[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccccn1)N(C(=O)c1ccccc1N)CC2 963140992 JCTIIUUMFSZYTE-GDLZYMKVSA-N 510.550 4.580 5 1 KJBF CO[C@H]1/C=C/C=C(\C)C(=O)Nc2cc3nc4ccccc4nc3c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169367386 GCPNDGGYSBOFCL-AYTSSKJJSA-N 618.731 4.949 5 1 KJBF 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CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 84758865 AWFFUIWXPFQCTE-HXUWFJFHSA-N 500.646 4.920 5 1 KJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587573772 CXMDREQDUAZNGY-SQHAQQRYSA-N 518.522 4.783 5 1 KJBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963136521 FVOWUKVSANSJDO-RLWLMLJZSA-N 525.583 4.793 5 1 KJBF COC(=O)c1cc([C@@H]2c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc([N+](=O)[O-])c1 963927492 AKVAXSLUVYSGRP-OAQYLSRUSA-N 522.949 4.613 5 1 KJBF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076407 YVFCDZWSVGFNDD-CKUXNOBLSA-N 514.365 4.713 5 1 KJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN(C)c1ccccc1 4080346 RHXZDKVEJKMFRR-CLJLJLNGSA-N 510.591 4.980 5 1 KJBF CCOC(=O)c1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963150820 SMAOPVFYNXIZQV-JIPXPUAJSA-N 553.593 4.766 5 1 KJBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 98085094 MJYXHCSNWBVXRN-XPCGLTFESA-N 593.434 4.684 5 1 KJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587263394 MIDJAUPPFYCMPF-HNNXBMFYSA-N 597.567 4.745 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)OC(C)(C)C)c(-c3ccncc3)c2c1 587620470 CJSDOQKYWRPIFS-UHFFFAOYSA-N 553.597 4.972 5 1 KJBF COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 775419 LWBAPUDPTAYKGN-UHFFFAOYSA-N 535.484 4.774 5 1 KJBF CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3ccc([N+](=O)[O-])cc3)C(=O)O[C@]12C 95613479 MPSCQHRMNFYMLF-ZBEQBWKJSA-N 774.953 4.977 5 1 KJBF CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 96142995 ILRBKIMZTBAVNG-PJTQZDKOSA-N 731.872 4.807 5 1 KJBF 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CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334965 NHJJWIOXDVQKHY-QDPGVEIFSA-N 555.486 4.575 5 1 KJBF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl 962041924 HDPBKKIIIAUWDX-ALKXEMMNSA-N 682.055 4.646 5 1 KJBF N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc([N+](=O)[O-])ccc43)cc2F)c1 14950679 WUSRGHHERUYXLJ-UHFFFAOYSA-N 552.448 4.814 5 1 KJBF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OC2CCN(Cc3ccccc3)CC2)C(=O)N1 26966854 DYPZUUPZRIXBQY-RUZDIDTESA-N 536.585 4.688 5 1 KJBF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC 2356857242 XYWWMPMLCMSXER-WSOYEBOPSA-N 560.688 4.934 5 1 KJBF Cc1ccc(CCNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149066 VYIIGQVGSVOWKC-UHFFFAOYSA-N 511.538 4.674 5 1 KJBF O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 104953385 MXFXPRPRXGBHDP-SANMLTNESA-N 569.687 4.840 5 1 KJBF COC(=O)c1ccccc1C(=O)Oc1c(OC)cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3c(C(=O)OC)cccc3[N+](=O)[O-])[C@H]3COC(=O)[C@H]23)OCO4)cc1OC 150587063 IHKABDGNAPKJPY-HINWSCFFSA-N 769.668 4.966 5 1 KJBF COc1cc2nc(N3CC[C@@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCc3cccc(OC)c3OC)c2cc1OC 164044719 YGDIRIZKZNLXDV-XMMPIXPASA-N 644.729 4.945 5 1 KJBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 587433101 NNUJDMOSLAFCFW-PIKZIKFNSA-N 519.506 4.936 5 1 KJBF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653793637 GTTKYEXGNWQYRL-CMJOXMDJSA-N 509.950 4.696 5 1 KJBF O=C(O)[C@H]1Cc2cccnc2[C@H](c2ccc([N+](=O)[O-])cn2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962399638 DAZMMMIVPIYJSI-VPUSJEBWSA-N 522.517 4.735 5 1 KJBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 4153954 BAKDOUIKXRUREB-NOZRDPDXSA-N 509.946 4.934 5 1 KJBF COc1ccc(CCNc2ncc(C(=O)NCCc3ccccc3OC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82136154 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C[C@H](CCC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1857554681 GXZXVSDFSNVRNH-SAVKWHPJSA-N 542.717 4.589 5 1 KJBF O=[N+]([O-])c1cccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)c1 25982750 DGSSBEGOQKDOPI-VWLOTQADSA-N 517.611 4.530 5 1 KJBF CCOC(=O)C1=C(C)N(CCCC(=O)NCCn2c(-c3ccccc3)cc(C(=O)OC)c2C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 42806649 VNXYHFYMZHDZGR-SSEXGKCCSA-N 631.686 4.658 5 1 KJBF CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)CC1 105227481 UFZUAOWDUMECIA-KRWDZBQOSA-N 542.083 4.642 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@H](c2cnn(-c3cnccn3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963243092 ZOZOJTJACXAMKC-LSYYVWMOSA-N 649.576 4.534 5 1 KJBF N=C(N)c1ccc(OCc2cc(COc3ccc(C(=N)N)cc3)cc(COc3ccc([N+](=O)[O-])cc3)c2)cc1 169318694 IYUUOLZUJFLIIE-UHFFFAOYSA-N 525.565 4.900 5 1 KJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 587860556 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O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084624 AGOKPLOFMTWAHY-NRFANRHFSA-N 510.641 4.763 5 1 KJBF CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1 27653463 GFTNZBASPCLUTI-AZSSPAPCSA-N 691.686 4.825 5 1 KJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)[C@@H](C)COc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 29210602 VUBWIAJSRQTELD-DRWOAZQASA-N 523.586 4.785 5 1 KJBF C[C@H](CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC(=O)N[C@H](CCCN)C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O 2356703696 PPFISAQUKQQDHW-XNOXPQBHSA-N 676.851 4.592 5 1 KJBF CCS(=O)(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O 43587402 CCKBRXVCUWDPRA-DCEDVJGZSA-N 575.485 4.687 5 1 KJBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 98085093 IXJLONHJTYRZEZ-MGSPXPDISA-N 548.983 4.575 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@H]3C4=C[C@H](O)[C@]5(O)O[C@H](C(=O)Oc6c(CO)[nH]c7ccc8cc9ccccc9cc8c67)[C@H](O[C@@]2(CC4)[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@H]1O)[C@@]35O 2356373070 QZEIJZHDPGJGMR-KUVPIEMDSA-N 828.959 4.979 5 1 KJBF CCCCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCCC 95610876 OZFKODKPEOJAQH-RRPNLBNLSA-N 747.824 4.738 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)(F)Cl)c2c1 587617607 GLSNPLRGIQKXKU-UHFFFAOYSA-N 553.931 4.609 5 1 KJBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1I 587737184 CXOUYEYNGUOQLY-WNWIJWBNSA-N 521.124 4.733 5 1 KJBF COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 773661 DYPLQJQWDHAYHS-UHFFFAOYSA-N 535.484 4.774 5 1 KJBF CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4075838 BHBBKZVMPXOOHB-DGPALRBDSA-N 592.649 4.536 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334960 NHJJWIOXDVQKHY-LXFBAYGMSA-N 555.486 4.575 5 1 KJBF COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 769173 ORJFLYOEDKYXHD-VPUSJEBWSA-N 569.998 4.733 5 1 KJBF COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 4075418 MDLMZYXISPLSHR-SHQCIBLASA-N 553.015 4.782 5 1 KJBF CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccccc2)c2sc3ccc(OC)cc3c(=O)c12 102210137 GDWYXPAXEGGBQE-UHFFFAOYSA-N 525.696 4.656 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(-c4ccccc4)no3)c2c1 587620970 LVIGXHPNDWMQAU-UHFFFAOYSA-N 505.512 4.911 5 1 KJBF Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)C[N@+]3(C)CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1 1857611431 BXOSGYRJKCYDLH-UYMYSODTSA-O 502.683 4.900 5 1 KJBF COc1ccc2cc3[n+](cc2c1OCc1cn(-c2ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)cc2)nn1)CCc1cc2c(cc1-3)OCO2 1911578514 ILSGDUFGHPLWDP-UHFFFAOYSA-N 679.691 4.956 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4153555 TVZIRSDAXFKIJZ-IHPXXTKKSA-N 521.501 4.831 5 1 KJBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341063 XUSCRBZUZZMFJA-RPXVOGMMSA-N 553.539 4.516 5 1 KJBF COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N[C@@H](CO)c4ccccc4)cc2NC3=O)ccc1[N+](=O)[O-] 71788691 GCGLWZLCGJIITI-SANMLTNESA-N 538.560 4.972 5 1 KJBF CC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccc([N+](=O)[O-])cc21 101059540 OWAUSXIFTVKJHO-ZEQRLZLVSA-N 519.476 4.711 5 1 KJBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587231796 QYZXHKVLKGFBBB-RBUKOAKNSA-N 555.587 4.881 5 1 KJBF N[C@@H](Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1857537706 OYMWRHQLICPKAC-SANMLTNESA-N 566.035 4.869 5 1 KJBF CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)cc2)c1)C1CCCC1 72134883 ZCVUURRUXOCYHN-VWLOTQADSA-N 647.754 4.830 5 3 KJBF CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 14294576 OZQHHXAYNRRVBN-JGCGQSQUSA-N 593.728 4.903 5 1 KJBF in-vivo CS(=O)(=O)c1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)[C@@H]3c3ccc4c(c3)OCO4)nc2)c([N+](=O)[O-])c1 27867441 CVHAHTOCUWLYPH-NDEPHWFRSA-N 569.599 4.817 5 1 KJBF COc1ccc(N/C=C(\[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)[N+](=O)[O-])cc1 963444409 GTNFSKABZJRPMM-HJDSMHGASA-N 512.522 4.600 5 1 KJBF O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 2356851610 KFSQGVWRXUTALX-WUSQGHIASA-N 564.646 4.551 5 1 KJBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 768900 AJTAVHQUFDDMLK-RSXGOPAZSA-N 537.956 4.826 5 1 KJBF COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 770355 ULTNLJZSNRAIGL-BDYUSTAISA-N 553.015 4.782 5 1 KJBF COc1ccc(CCNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82160170 OWQRQHHCFUIGSW-UHFFFAOYSA-N 515.545 4.827 5 1 KJBF O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cccc([N+](=O)[O-])c5)c4=S)CC3)c(F)cc2c1=O 95597117 DOBYLMUASBYODE-UHFFFAOYSA-N 657.684 4.951 5 1 KJBF O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104965162 SLNKDJWVBNKIPB-IBGZPJMESA-N 520.489 4.538 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c([C@@H](C)C(=O)O)c2c1 587619536 JPEMVKJUWLRWAG-CYBMUJFWSA-N 513.503 4.880 5 1 KJBF O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 49881737 XSAOJRVUBPUEJI-LJQANCHMSA-N 557.364 4.824 5 1 KJBF Nc1ccccc1CNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 104960943 DDKSGMBLIINKLD-QHCPKHFHSA-N 547.662 4.649 5 1 KJBF O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586946274 IQVDROMMJNPGOE-FQEVSTJZSA-N 611.632 4.969 5 1 KJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 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XQAWLDCVQYLQPA-UHFFFAOYSA-N 749.058 4.817 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 587752574 RXHCJFMDELFSON-BSNNYGBQSA-N 512.291 4.775 5 1 KJBF COCCN(CCNc1ccc([N+](=O)[O-])cn1)c1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1 1772619059 CSFHGHWEKPNNOY-UHFFFAOYSA-N 529.388 4.504 5 1 KJBF CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 95569746 PEHSPDATVDIDBP-RBJSKKJNSA-N 531.634 4.619 5 3 KJBF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4211793 MKUUDVKLAZUEEA-FUDKSRODSA-N 500.338 4.843 5 1 KJBF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3cc21 587263037 JMEGRJOCMDBVKS-LVWPNOBMSA-N 625.590 4.642 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(C)=O)c2c1 587620778 GBNACHDQYMWIKZ-UHFFFAOYSA-N 510.484 4.663 5 1 KJBF COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c(O)c3c(=O)c4c(O)c(OC)c(O)cc4oc23)cc1OC 205698263 DBIPPHQXGXTCPX-NRFANRHFSA-N 576.554 4.992 5 1 KJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587054367 KCQINDNONGUJRL-LBPRGKRZSA-N 534.141 4.905 5 1 KJBF COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c(F)c1Nc1ccccc1 587263559 CAFQDFJWZBMBFK-ODXCJYRJSA-N 524.465 4.583 5 1 KJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 587545450 MKRVPTWGZHCADK-GHTZIAJQSA-N 512.272 4.604 5 1 KJBF COc1cc([C@H]2Oc3cc([C@H]4Oc5cccc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2CO[P@@](=O)(O)Oc2ccc([N+](=O)[O-])cc2)ccc1O 72105191 KPGFCKMSZZYQFS-WZFJQBBKSA-N 667.516 4.769 5 1 KJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 72173346 QDEMSHCOEKEEPQ-RLDRVVDPSA-N 657.600 4.845 5 1 KJBF Cc1ccc(CCNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135511 HYWBIURHSMLRPT-UHFFFAOYSA-N 511.538 4.674 5 1 KJBF COc1ccc(CNc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc3cc(OC)c(OC)cc23)cc1OC 105132538 RCORWYFPBDFIFJ-FQEVSTJZSA-N 602.648 4.502 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccnc3)c2c1 587619228 CQVSULLBMUGBAH-UHFFFAOYSA-N 520.445 4.530 5 1 KJBF CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587663782 QRFDEMFIGGVIQW-UHFFFAOYSA-N 518.574 4.506 5 1 KJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC 4049731 AAFZKWMGOXXTPG-VWNXMTODSA-N 540.370 4.783 5 1 KJBF CN1CCc2cc(Br)c(O)cc2[C@H](c2ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc2)C1 13446586 PAOQGQGDDFSBTF-KRWDZBQOSA-N 510.348 4.963 5 1 KJBF O=C(CCN1CCCC[C@@H]1CCO)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC[C@@H]4CCO)cc3nc2c1 26487355 BXFKSCDNXROMEQ-FQLXRVMXSA-N 575.754 4.519 5 1 KJBF CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 26727765 CWRGETLEMMGBDH-MGBGTMOVSA-N 636.797 4.622 5 1 KJBF CCOCCN(CCOCC)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135222 SDGPRLOPLBPKRH-UHFFFAOYSA-N 528.009 4.833 5 1 KJBF CCN(CC)CCCNc1nc(N2CCCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12 105125869 KXKWHZCLRKACBD-UHFFFAOYSA-N 607.756 4.761 5 1 KJBF CC(C)(SCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)O 586958883 HTAUTWMTUCPRJX-UHFFFAOYSA-N 504.520 4.941 5 1 KJBF CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1 58602054 WWGONUOHFVVGEW-DZMJNENTSA-N 688.851 4.891 5 1 KJBF CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 105176515 QBHYCFPUMNYLAN-UHFFFAOYSA-N 542.036 4.875 5 1 KJBF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4081146 SBHBGUJTVGBWIR-ZCYQVOJMSA-N 525.945 4.682 5 1 KJBF C/C=C1/C[C@H]2[C@H](O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3cc(OCc4ccccc4)c(OC)cc3C(=O)N2C1 26187421 IYOSYBSZIDRALB-JIQVABJRSA-N 559.575 4.818 5 1 KJBF CC(=O)N[C@@H](CCC(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(C)C)cc2)cc1)C(N)=O 150572408 QLLHHIJQYDWELR-JHYUNABTSA-N 993.135 4.820 5 1 KJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587263811 FJMWMWVDJZKONS-NXSYQRQQSA-N 504.219 4.695 5 1 KJBF CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCCn1c([N+](=O)[O-])cnc1C 587937723 UEVWFMCKRCLYQT-UHFFFAOYSA-N 508.373 4.658 5 1 KJBF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1N(Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 150590959 ORKFQPDSKITXKY-UHFFFAOYSA-N 723.504 4.912 5 1 KJBF COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661688 RHXMVGATDOUQFU-UHFFFAOYSA-N 546.536 4.909 5 1 KJBF C[C@H](n1cnc(Sc2ncccc2[N+](=O)[O-])n1)[C@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961616182 RGUADPASIAHUDC-RBZFPXEDSA-N 501.410 4.650 5 1 KJBF CC(C)Cc1ccc([C@H](C)c2nnc(SCc3cn(CC(=O)Nc4ccccc4[N+](=O)[O-])nn3)o2)cc1 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O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@H](O)[C@@H]1OCc1ccccc1 2356528202 UTUSCIWAMDMTQE-MMYUMUNASA-N 553.611 4.719 5 1 KJBF CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC 775964 GGYZEFSBTUGEPD-UHFFFAOYSA-N 511.531 4.656 5 1 KJBF Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)nc2cc1[N+](=O)[O-] 586908665 COFZVHAOTJHUHM-OCVSNNNQSA-N 627.779 4.685 5 1 KJBF Nc1nc(Cl)c([C@@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(N2CCCC2)n1 963018955 LVZVRPKIFWWDKE-AZGAKELHSA-N 566.065 4.550 5 1 KJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 13878893 AZFKSNWULDYMDD-SANMLTNESA-N 514.557 4.817 5 3 KJBF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(C(=O)O[C@@H](C)CN(C)Cc2ccccc2)C(=O)N1 13726864 ORRSPTDFFKAGTJ-UUOWRZLLSA-N 524.574 4.544 5 1 KJBF CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O 253655944 NFPKWCXLFZKXLR-BJMSOIPWSA-N 818.921 4.749 5 1 KJBF CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)C=C[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CC[C@@H]4CCc5cc(O)ccc5[C@]342)[C@@H]1O 2356454596 QGZROHKBCGDASQ-VSMVWMJDSA-N 828.959 4.617 5 1 KJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCOc2ccccc2)cc1 2480568 WRKGSVVVXUZLOJ-UHFFFAOYSA-N 519.510 4.751 5 1 KJBF C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 49952311 ATZADORLXNSGND-JCUKEYOKSA-N 548.684 4.732 5 1 KJBF CC(C)COc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br 587263644 XWKZSPPBXOQTBG-UHFFFAOYSA-N 516.396 4.751 5 1 KJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 587606955 KDXKDRZZILMRAF-SHQCIBLASA-N 517.515 4.977 5 1 KJBF CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 4075833 BHBBKZVMPXOOHB-JDXGNMNLSA-N 592.649 4.536 5 1 KJBF O=C(O)C1CCN(c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1 27862576 WDDFATDFPUXWGB-UHFFFAOYSA-N 574.478 4.896 5 1 KJBF CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCOCCOCC[N+]34CCN(CC3)CC4)cc2)[C@H]1O 28525241 QYMUFMXHGNOBEK-FZNHDDJXSA-N 686.980 4.958 5 1 KJBF O=C1c2cccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] 587578328 WCALMUMPQWMFPW-QHCPKHFHSA-N 510.414 4.658 5 1 KJBF COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 773832 OEDKDJZWFVJWAM-UHFFFAOYSA-N 535.484 4.774 5 1 KJBF COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 28970962 CBKFAEKGTYOOCA-OJJQZRKESA-N 581.965 4.602 5 1 KJBF CN1CCCC[C@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 587295088 WMVHVSNFPNMTQG-UHKFJTBQSA-N 919.722 4.792 5 1 KJBF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C)n1 587620008 NZQXOJBMZDXGCA-UHFFFAOYSA-N 551.503 4.660 5 1 KJBF O=[N+]([O-])c1ccc(COc2cccc(Nc3ncnc4cc5c(cc34)OCCOCCOCCOCCO5)c2)cc1 1857583263 NZZSZLLIIKNPPP-UHFFFAOYSA-N 562.579 4.682 5 1 KJBF CCCCNC(=O)[C@H](C)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C 96023021 LVTJYCKAOMJLJS-WHMAPKLYSA-N 720.868 4.705 5 3 KJBF CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 28636660 JQZFAWBWTJIYCS-HHHXNRCGSA-N 551.651 4.638 5 1 KJBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc([N+](=O)[O-])c2)(c2ncco2)N1C(=O)c1ccccc1 963421559 ZPVQMTYNTIVCCX-NEKDWFFYSA-N 508.490 4.508 5 1 KJBF CNC(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1 13587510 VYPHRFDTPMBXEN-HSZRJFAPSA-N 519.579 4.697 5 1 KJBF COc1cc(Nc2ncc3c(=O)n(-c4c(C)cccc4C)c4nc5ccccc5n4c3n2)cc(OC)c1OC 29136051 OSSISQQUQBLCRH-UHFFFAOYSA-N 522.565 4.968 5 1 KJBF CN(C)CCCC(=O)Nc1csc(C(=O)Nc2ccc3c(c2)cc2c(=O)n4c(cc5cc(NC(=O)c6csc(NC(=O)CCCN(C)C)n6)ccc54)c(=O)n23)n1 95608053 ZVEUINGHDFXJPN-UHFFFAOYSA-N 794.920 4.635 5 1 KJBF Cc1c(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 587053048 ADFCREUFHFUQDK-RUZDIDTESA-N 638.106 4.850 5 1 KJBF COC(=O)c1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587119561 YGIBUTALYVATNE-UHFFFAOYSA-N 524.253 4.951 5 1 KJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587749225 CUSXMRAIFAOCAH-YDGUKXNOSA-N 511.303 4.565 5 1 KJBF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076389 YVFCDZWSVGFNDD-UCFCWBNQSA-N 514.365 4.713 5 1 KJBF Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2F)c1 64479709 JVICZIHMMQVVQK-QHCPKHFHSA-N 511.513 4.566 5 1 KJBF O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)[C@@H]1CCc2ccccc2C1 253634098 OJLYLHSLPXZUCU-DNRQZRRGSA-N 535.666 4.754 5 1 KJBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587226296 YEOCVBYZKKKDGW-INIZCTEOSA-N 549.539 4.929 5 1 KJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 73243011 WBKIEXXYWOAONG-LZWSPWQCSA-N 507.537 4.837 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(O)c2c1 587621502 UYTPRYRLGINDLN-UHFFFAOYSA-N 565.345 4.863 5 1 KJBF O=C(O)C1CCN(c2cc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1 27868344 KYQSSJNBEZINDK-UHFFFAOYSA-N 547.456 4.655 5 1 KJBF C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)[C@H](CCO[C@H]3N1c3ccccc3[C@]34CC[N+]6(C)C[C@H]7CCO[C@@H]5[C@@H]([C@H]7C[C@@H]36)[C@H]14)C2 169324139 WCXHHUJNGABRON-KVQGARIWSA-N 618.866 4.716 5 1 KJBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336801 ARJLNLHVCIVWKQ-BTYSJIOQSA-N 540.459 4.567 5 1 KJBF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cccc([N+](=O)[O-])c1 653899328 YLBOODLJJGHPEH-OMFHPYTQSA-N 581.574 4.866 5 1 KJBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)N12 962649480 XFYAIOZBVPIBHH-GRKNLSHJSA-N 537.620 4.658 5 1 KJBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963136520 FVOWUKVSANSJDO-QFQXNSOFSA-N 525.583 4.793 5 1 KJBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)NCC(c2ccccc2)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1772589608 ZVGGDSXFWSKWOT-LJAQVGFWSA-N 556.619 4.837 5 1 KJBF O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1 1857542126 ZFDBMPCNLPJRRD-TWZJLLKVSA-N 517.383 4.721 5 1 KJBF COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)n(C[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 36387278 COFMXHXIUKNMPD-QHCPKHFHSA-N 525.565 4.899 5 3 KJBF CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C 29231383 LDXQWLVXFHQGQU-HSZRJFAPSA-N 673.718 4.614 5 1 KJBF O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103289533 JJXJVDXUBYKHQH-UHFFFAOYSA-N 583.453 4.902 5 1 KJBF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)cc1 586944824 XAAGUZAVVHSBBD-UHFFFAOYSA-N 529.372 4.582 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541641 GKBOHFHFNHXWKX-KDYSTLNUSA-N 555.923 4.553 5 1 KJBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 587660398 CSWYLBHSMVVMCG-UHFFFAOYSA-N 516.510 4.901 5 1 KJBF C[C@]1(c2cc(N3CCSCC3)ccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921548 HPUGFRJNFDMOIK-IGKIAQTJSA-N 521.595 4.508 5 1 KJBF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963151562 WYRMWRPMICMPHJ-QHCPKHFHSA-N 530.350 4.884 5 1 KJBF Cc1ccc2nc3c(cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)c(=N)n3C3(c4ccc(F)cc4)CC3)c(=O)n2c1 1857644593 BLLCEOBSYBEKJD-UHFFFAOYSA-N 577.538 4.942 5 1 KJBF CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 26729454 KLHZZCXEMHQCHW-DHUJRADRSA-N 694.877 4.900 5 1 KJBF CCCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCCCCC 95610879 OZFKODKPEOJAQH-SXOMAYOGSA-N 747.824 4.738 5 1 KJBF COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccco3)c2cc1OC 105136046 MRMCSMANAOCPCJ-UHFFFAOYSA-N 560.611 4.715 5 1 KJBF CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586938456 VZMOVAXJSAKQGC-QFIPXVFZSA-N 528.055 4.977 5 1 KJBF N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587180852 QKHJOQULMVXLLS-OAHLLOKOSA-N 607.193 4.817 5 1 KJBF CCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587265104 SVPJBZRSCYPOKF-NSPYISDASA-N 508.329 4.855 5 1 KJBF COc1ccc2c(c1OC)[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)N(C(=O)c1ccccc1N)CC2 963157521 RVOYDQFTTSLKOX-GDLZYMKVSA-N 587.654 4.956 5 1 KJBF CC(=O)O[C@H]1CO[C@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 31895851 IEETTZJIVHLYRY-LQBCTSRJSA-N 514.534 4.753 5 1 KJBF O=c1nc(N2CCN(CCCCOc3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 143138611 UVNRDCSQKLWZTA-UHFFFAOYSA-N 508.522 4.565 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(F)c(F)c3)c2c1 587619510 IDRYBASYHGEBQU-UHFFFAOYSA-N 516.482 4.724 5 1 KJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 587869700 NHWDRUDEYWUJNZ-UHFFFAOYSA-N 519.461 4.671 5 1 KJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 774187 AGVBDPUOGGMZBR-IBGZPJMESA-N 507.930 4.912 5 1 KJBF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34 26476333 PPKRCPXMGJGNEM-QYBDOPJKSA-N 612.664 4.931 5 1 KJBF O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2F)c2cc(F)c(O)c(F)c2)cc1 64446834 SHLRXFQXPWFZSW-UHFFFAOYSA-N 517.279 4.876 5 1 KJBF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587266256 KBXHUKDGTNCWMH-UHFFFAOYSA-N 650.405 4.882 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@H](c2ccc(CO)o2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241513 VIOAFPUQRJVSIS-JYFHCDHNSA-N 601.524 4.644 5 1 KJBF COc1ccccc1CNc1nc(N2CCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12 105116017 WXZORHLOLQBYLP-UHFFFAOYSA-N 600.676 4.847 5 1 KJBF NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCS(=O)(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 95615278 CSHWCGNIXJHXMY-YLJLSDLWSA-N 779.957 4.646 5 1 KJBF O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 104954258 LEXUKISSMCOVLN-QGZVFWFLSA-N 534.516 4.786 5 1 KJBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 4046077 KVRVLZLUIUPMBS-XRKRLSELSA-N 562.623 4.527 5 1 KJBF CC[C@@H](COC)Nc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 105119420 BDEPRGZKUJYILI-NRFANRHFSA-N 568.675 4.723 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)c(Br)c3C)c2c1 587619907 VRYJLBHNZKCGHT-UHFFFAOYSA-N 534.392 4.759 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(=O)C(F)(F)F)c2c1 587620167 QXWSQZHBTXPELI-UHFFFAOYSA-N 520.445 4.693 5 1 KJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c([S@](=O)c3ccc(Cl)cc3)cc(Cl)cn12 1857565286 QLAJDKKBLZOGMO-WJOKGBTCSA-N 510.380 4.690 5 1 KJBF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C 587619971 MUTIRNURFJHMED-UHFFFAOYSA-N 533.513 4.579 5 1 KJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc3ccccc3C1=O)O2 587388552 DDVHKTHQRRKNCU-VGKYISKLSA-N 500.507 4.801 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587620500 DHPQYEKSRJZJDB-HXUWFJFHSA-N 546.602 4.502 5 1 KJBF CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621763 ZMRIHKCAGGKMOK-PDTVBRLTSA-N 704.843 4.554 5 1 KJBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(F)cc1 4152762 OEMIRRDKVOPMFI-XNMGPUDCSA-N 537.544 4.601 5 1 KJBF O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)c([N+](=O)[O-])c2)C1 49722595 VXOPIGNHBPDYNO-SVEHJYQDSA-N 611.655 4.922 5 1 KJBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 587578301 VWQANXSRYMFGSY-YIXXDRMTSA-N 501.495 4.874 5 1 KJBF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621200 RNIKJMQCFOIHFR-MRXNPFEDSA-N 588.639 4.787 5 1 KJBF O=c1c2ccc3c4ccc5c(=O)n(CCN6CCCCC6)c(=O)c6ccc(c7ccc(c(=O)n1CCN1CCCCC1)c2c37)c4c56 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COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 4079452 CCSJMBGJROZKOR-AHKZPQOWSA-N 569.998 4.733 5 1 KJBF COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCCCc3ccccc3)c2cc1OC 105132516 FFVVQRDLRWZZPC-QFIPXVFZSA-N 570.650 4.917 5 1 KJBF COC(=O)CCC1=C(CC(=O)OC)c2cc3nc(cc4[nH]c(c(CC(=O)OC)c4CCC(=O)OC)c(Cl)c4[nH]c(cc1n2)c(CC(=O)OC)c4CCC(=O)OC)C(CC(=O)OC)=C3CCC(=O)OC 238782067 ZRUAATOZEGNWSI-UHFFFAOYSA-N 977.417 5.465 5 1 KJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(I)cc2[nH]1 586948009 CMYCPZXLHQQEDI-UHFFFAOYSA-N 534.335 4.852 5 1 KJBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587748002 RKKFBEVULRGZJW-AMXDTQDGSA-N 519.371 4.978 5 1 KJBF CN(C(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 914431286 ZDEZQXNVPSUJHK-UHFFFAOYSA-N 539.518 4.698 5 1 KJBF COc1cc2c(cc1OC)[C@@H](c1ccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c1)N(C)[C@H](C)C2 962576025 SMRCBIDSKBUVJP-JYRCXFKTSA-N 506.555 4.848 5 1 KJBF O=C(NCc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857650407 SAJAXJFZPIMMLF-UHFFFAOYSA-N 516.432 4.847 5 1 KJBF O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2[nH]c3c(Br)cccc3c2C1 2356871715 VEKMGOKRBQYCTC-ARJFCPJASA-N 614.500 4.750 5 1 KJBF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4081694 NENZJDGOCTXVGV-XJUOHMSHSA-N 500.338 4.843 5 1 KJBF COc1cc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O 31706142 GCSJMPWRIRXIJP-UHFFFAOYSA-N 623.592 4.949 5 1 KJBF biogenic COC(=O)c1ccccc1Oc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1[N+](=O)[O-] 962634161 HWBICNPIFHLOJY-SVEHJYQDSA-N 527.533 4.910 5 1 KJBF COc1cccc2cc3c(nc12)[C@@]1(NCC3)C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 963048136 SEVUNZIFQJOPKE-HHHXNRCGSA-N 500.942 4.741 5 1 KJBF COc1c(O)c2c(=O)cc3c([C@H](C)C(=O)C[C@H](C)O)c([C@H](C)C(=O)C[C@@H](C)O)c4cc(=O)c5c(O)c(OC)c(OC)c6c(c1OC)c2c3c4c56 2356408066 SYKMKCFGVGJEJY-QKPAOTATSA-N 686.710 4.819 5 1 KJBF CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c([N+]5(C)CCNCC5)cc(=O)oc4c3)nc(N)c12 27983932 XTZVDDRIGOOTAZ-UHFFFAOYSA-N 567.457 4.706 5 1 KJBF CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C 29231389 LDXQWLVXFHQGQU-QHCPKHFHSA-N 673.718 4.614 5 1 KJBF CN1CCCC[C@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 587295081 WMVHVSNFPNMTQG-JQWGVUFCSA-N 919.722 4.792 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(S(C)(=O)=O)c2c1 587620307 URKLBBCZSGWCQJ-UHFFFAOYSA-N 569.539 4.975 5 1 KJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 4217061 UGOJSJUGQRLMSL-IZZNHLLZSA-N 527.574 4.714 5 1 KJBF COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccoc4)[C@@H](C2)[N@+](C)(CC2CC2)CC[C@]315 473183397 ZNGUXEXPGATVLB-CBIFNKQGSA-N 506.663 4.874 5 1 KJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587266316 ZWVFMQMHDYMELR-MPKWNAGQSA-N 541.516 4.505 5 1 KJBF COc1ccc2c(c1OC)[C@@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963136889 FOLXWAGHZANHLU-RUZDIDTESA-N 529.553 4.508 5 1 KJBF O=c1c(O)c(-c2ccc(O)c(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c2)oc2cc(O)cc(O)c12 103209298 OTLVHHBUSMVVEW-UHFFFAOYSA-N 536.327 4.910 5 1 KJBF O=[N+]([O-])c1ccc(Cn2cc(Cn3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Oc5ccc6c(c5)CCC6)nc43)nn2)cc1 473157227 UGGMLKDLKCKLCR-SANMLTNESA-N 617.670 4.719 5 1 KJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266314 ZWVFMQMHDYMELR-LZHZSBQWSA-N 541.516 4.505 5 1 KJBF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CN(C)C)cc1 587621047 MLNGKPRJEOAHLA-UHFFFAOYSA-N 510.572 4.623 5 1 KJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587748599 AGFAOPGFEUHAGD-BUBHHJDNSA-N 511.303 4.565 5 1 KJBF CCCCNC(=O)[C@@H](C)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C 96023020 LVTJYCKAOMJLJS-BVGRYSDNSA-N 720.868 4.705 5 3 KJBF O=[N+]([O-])c1cc(C(F)(F)F)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1NCP(=O)(O)O 27879719 IVNYGPBBGKWOCJ-UHFFFAOYSA-N 528.346 4.506 5 1 KJBF COc1ccc(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174584 KKDNXVAYUUSCPO-GOSISDBHSA-N 516.583 4.553 5 1 KJBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=S)N1 84632576 GMOIPGLLWLNERS-RUZDIDTESA-N 510.579 4.879 5 1 KJBF CCOC(=O)[C@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014687 JPATVLJLLRSVIC-DLLPINGYSA-N 620.014 4.927 5 1 KJBF CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213862 IFYOBMDCYCOHHO-QWTRODDESA-N 691.646 4.817 5 1 KJBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC 4052553 OTPHGSAMLPCJAD-ISKFKSNPSA-N 545.470 4.919 5 1 KJBF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2Cn2ccnc2)cc1 587621474 UIVWDQNYJUUZPU-UHFFFAOYSA-N 533.566 4.806 5 1 KJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)[nH]c4ccccc4c3=O)c2c1 587621683 ZLZTVNGKRJBKOY-UHFFFAOYSA-N 532.578 4.935 5 1 KJBF COC(=O)[C@@H]1CC[C@H](C)[C@@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963229288 UFGMNVTXDDEBCZ-BDOCIQBQSA-N 631.594 4.883 5 1 KJBF CS(=O)(=O)c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 586926316 NUTMAMNNVSPRHK-UHFFFAOYSA-N 526.526 4.915 5 1 KJBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@@]2(c3ccccc3-c3nc4ccccc4nc32)[C@@H]1c1ccc(Cl)cc1 1911583312 ZHRHYPNZCNMJJN-PAXQOXJBSA-N 508.969 4.874 5 1 KJBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587095176 YWWQFYSDJYMCIG-LLVKDONJSA-N 525.439 4.975 5 1 KJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587263545 BXIXKSYKYKUCEY-ZIDLFYJRSA-N 520.218 4.574 5 1 KJBF CC(=O)N1N=C(c2ccc(I)cc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798260 WUZJUVCMTGFTDE-CMJOXMDJSA-N 601.401 4.647 5 1 KJBF O=C(O)c1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587127774 APKUFVDJDLWRQX-UHFFFAOYSA-N 540.442 4.887 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334958 NHJJWIOXDVQKHY-FIPFOOKPSA-N 555.486 4.575 5 1 KJBF COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)C[C@@](C)(O)O5)c2c1 203473261 RBDPMEJPFIFQIH-HKBQPEDESA-N 574.538 4.891 5 3 KJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@H](C)CN(C)C[C@@H]2COc3ccccc3O2)[C@H]1c1cccc([N+](=O)[O-])c1 29211281 AQJFPGACBHLIGF-QDTNQKMISA-N 551.596 4.546 5 1 KJBF CCC(CC)OC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(CC)CC 95541736 RKZZZTRIJWEZHL-RRPNLBNLSA-N 747.824 4.735 5 1 KJBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 98083362 BFWRJVSGOBBDFH-MGSPXPDISA-N 548.983 4.575 5 1 KJBF COc1ccc(-c2nnc(-c3ccc4nc(CCOCCOCCOCCOCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 587267128 ULFSOSJPSFEXSP-UHFFFAOYSA-N 677.671 4.826 5 1 KJBF CCn1c(=O)c2c(c3ccccc31)OC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@]21NCCc2cc(C)c(F)cc21 962298418 LWCMZPQSCVSPRD-JHOBJCJYSA-N 527.552 4.544 5 1 KJBF COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 73168555 VSRBMHXKTLXSEB-FNZWTVRRSA-N 518.526 4.795 5 1 KJBF CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 105139311 FGOVHWGHMOKJHY-NRFANRHFSA-N 582.702 4.969 5 1 KJBF CC(=O)OCC[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@+]5(CCOC(C)=O)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 253664523 FNULMNZULDBPSF-MWQREOIUSA-N 760.976 4.787 5 1 KJBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 587838944 FCALMOQUFQRMGL-ZLOXQWCVSA-N 551.390 4.896 5 1 KJBF COc1ccccc1NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1 587869268 DZTWJHZDIRMEGU-UHFFFAOYSA-N 549.487 4.679 5 1 KJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC 587871623 AMMCNYAXSQIORE-UHFFFAOYSA-N 512.519 4.795 5 1 KJBF COc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)ccc1OCn1cc([N+](=O)[O-])cn1 962950146 DUWTYXLVLNAWED-HSZRJFAPSA-N 518.492 4.596 5 1 KJBF Cc1ccc(Oc2ccc([C@@H]3N[C@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)Cc4ccccc43)cc2[N+](=O)[O-])cc1 963707398 XUMAFIRTVTVDJO-VWYPKUQYSA-N 567.598 4.817 5 1 KJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccc(F)cc2)cc1 773925 VCXWMNUREPNQPL-UHFFFAOYSA-N 505.458 4.766 5 1 KJBF COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C 85907198 BDURUBOYNAVRCF-YHZWMNSLSA-N 684.698 4.512 5 1 KJBF endogenous,in-man COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCOC(C)C)c2cc1OC 105136458 OBCHHNQNBQKFIQ-UHFFFAOYSA-N 580.686 4.737 5 1 KJBF O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 474609114 OGVILIYAOLJDHR-UHFFFAOYSA-N 624.697 4.975 5 1 KJBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 1857554123 IRBPQUMXNIUXMP-OAQYLSRUSA-N 575.523 4.862 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@H]3C4=C[C@H](O)[C@]5(O)O[C@H](C(=O)Oc6c(CO)[nH]c7ccc8cc9ccccc9cc8c67)[C@H](O[C@@]2(CC4)[C@H](C2(c4ccc(O)cc4)CCCCC2)[C@H]1O)[C@@]35O 2356616192 SOTDMSUJKQXTJT-POLYDFHASA-N 816.948 4.979 5 1 KJBF COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)C[C@@](C)(O)O5)c2c1 85744290 COAWIYTXRNAXHF-HKBQPEDESA-N 574.538 4.891 5 3 KJBF O=C(NCc1ccccc1C(F)(F)F)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 103765902 SZCXUFFUGMPRJU-OZXSUGGESA-N 524.499 4.535 5 3 KJBF 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O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344638 XIJUENXCFSMDNO-OUTSHDOLSA-N 525.444 4.985 5 1 KJBF CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)CC[C@@H]2[C@]34O)[C@@H](C2(c3ccc(O)cc3)CCCCC2)[C@H]1O 2356760007 SAERGBHQRPKBHZ-VRJXQNKPSA-N 792.926 4.669 5 1 KJBF Cc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1[N+](=O)[O-] 587178887 NPUIXMIDYMEEFF-UHFFFAOYSA-N 505.053 4.656 5 1 KJBF C[C@@H]1C(=O)CC[C@@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963218487 SNLIJUTWFZCIBF-MDIYOGECSA-N 587.541 4.663 5 1 KJBF COc1cc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc43)nn2)cc(OC)c1OC 1911578791 MZKNHMPUAIQYOG-UHFFFAOYSA-N 535.398 4.631 5 1 KJBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541642 GKBOHFHFNHXWKX-ZBLYBZFDSA-N 555.923 4.553 5 1 KJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 13878921 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833.829 4.969 5 1 KJBF COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 772385 SMBUHNNXXSGCNR-VPUSJEBWSA-N 569.998 4.733 5 1 KJBF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@H](c2ccc(N3CCOCC3)o2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230766 HWZRBZUTKXWMSL-SVEHJYQDSA-N 656.604 4.988 5 1 KJBF O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)C[C@@H]3CC[C@H](O)[C@H](C4(c5ccc(O)cc5)CCCCC4)[C@H]3O[C@@H]12 2356356081 IJYAENNHPHEPTJ-XNRGWJMPSA-N 723.819 4.835 5 1 KJBF CC/N=c1/cc2oc3cc(NCCCC(=O)N[C@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C 29058972 IHSVUUCUAAHZDN-RIPCIUMVSA-N 502.615 4.821 5 1 KJBF COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 586948747 MGTRYYJOCPARQT-UHFFFAOYSA-N 545.371 4.796 5 1 KJBF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(Cl)cc4[nH]2)cn3C2CC2)C1 587173503 XQXCHTSYWKCZQW-CYBMUJFWSA-N 510.957 4.898 5 1 KJBF Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1CC(=O)O 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