smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC(=O)CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861123631 KKIVBMTYBAOFKA-PMQIGOLDSA-N 489.510 0.322 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865734595 MKSNUOWCWHNZBH-INIZCTEOSA-N 484.513 0.239 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621595 SJXANMAIQBLWNY-UHFFFAOYSA-N 486.533 0.821 5 10 JCBE CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 102201900 HANQNSOXWBEEGZ-RMMWZPCPSA-N 468.415 0.630 5 10 JCBE CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 1144511343 FALAETDVQJTVIJ-AWEZNQCLSA-N 451.505 0.458 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)c1 1858986484 BUWDBSXTQKIZAU-UHFFFAOYSA-N 494.482 0.991 5 10 JCBE O=C(N=c1nnc(CCC(=O)N2CCN(c3ccccn3)CC2)c(O)[nH]1)c1ccc([N+](=O)[O-])cc1 1860905597 DDIUPEFGWADTDY-UHFFFAOYSA-N 478.469 0.836 5 10 JCBE CC(C)(NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861880812 REOACVMVXUVYGC-UHFFFAOYSA-N 455.537 0.468 5 10 JCBE NC(=O)C1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCO)CC1 1870398034 DVJPHWWAAMPFNI-UHFFFAOYSA-N 473.486 0.464 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873699646 JDGISFWNZGEPDR-HOTGVXAUSA-N 479.493 0.978 5 10 JCBE CNS(=O)(=O)c1ccccc1N1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 727825502 QDLUYDYBRIKRES-UHFFFAOYSA-N 459.484 0.879 5 10 JCBE Cc1c(C(=O)N[C@@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861784724 HAVPMJVUAKOCGV-NSHDSACASA-N 465.444 0.894 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CC)CCO)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619331 IGCYRVYNJVDXHE-UHFFFAOYSA-N 474.566 0.882 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871621101 HRMNUKFPEQKOBD-OAHLLOKOSA-N 480.533 0.839 5 10 JCBE COCCN(C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 242451653 BONKHTXHKGUZSR-AWEZNQCLSA-N 453.473 0.633 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)cc1[N+](=O)[O-] 585454644 HNLGOIVLRBPVBS-UHFFFAOYSA-N 467.464 0.828 5 10 JCBE COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)C1 1860846833 XFBPSNCAZUHKJC-OAHLLOKOSA-N 484.531 0.817 5 10 JCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1867349061 KGSREWHNIKLBCL-KRWDZBQOSA-N 478.527 0.901 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 1891331719 BSHVSMGLKIGDAY-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCC(=O)O)cc2)cc1[N+](=O)[O-] 1858647794 LGJIEIWPJHNQNB-UHFFFAOYSA-N 480.455 0.996 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891563 NTZMRWYYDYLULU-SFHVURJKSA-N 486.485 0.838 5 10 JCBE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865623082 VBVOYQGGZBOVFI-GOSISDBHSA-N 486.529 0.818 5 10 JCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 1867873945 KDXOVBGXQJUALC-UZUQRXQVSA-N 473.482 0.961 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(O)CC3)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870062876 VFMPCTSVPSISOU-AWEZNQCLSA-N 464.504 0.490 5 10 JCBE CN(C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519357 QWXZSNVUJCGSHP-UHFFFAOYSA-N 458.504 0.735 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871645325 NDBIJNQATIMYMY-UHFFFAOYSA-N 460.539 0.627 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCN3CCCC3)[nH]2)cc1[N+](=O)[O-] 1871708009 FPENHZVVCFMQMN-UHFFFAOYSA-N 490.565 0.455 5 10 JCBE O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1)N1CCOCC1 1873016481 QQQZBRUBPOMYDR-HNNXBMFYSA-N 479.921 0.604 5 10 JCBE O=C(NCC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1869750319 ZGHDLMBFLFDBEY-UHFFFAOYSA-N 475.546 0.732 5 10 JCBE O=c1cc(CN(CCO)CCO)n(CCN2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 1870684495 CQHXDAWIQKKWJE-UHFFFAOYSA-N 476.530 0.454 5 10 JCBE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891105 CBKKUVAIXXURQV-QGZVFWFLSA-N 472.458 0.355 5 10 JCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 1867360695 ONGHPLKENKWTGV-FGZHOGPDSA-N 485.541 0.799 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869953115 XZOAUKKBXFDZID-AWEZNQCLSA-N 450.477 0.943 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870066555 LDVVYXJBVYOQPT-OAHLLOKOSA-N 491.530 0.808 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 102208103 UZMKMTNQYIJXTD-LELZANKISA-N 465.411 0.000 5 10 JCBE Cc1noc(CN2CCN(c3ccc(S(=O)(=O)NCCN(C)C)cc3[N+](=O)[O-])CC2)n1 501223154 ANVTZBIZJAWPNX-UHFFFAOYSA-N 453.525 0.448 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCC(=O)O)cc2)ccc1[N+](=O)[O-] 1858648698 JHWHHTGPGSWRHG-UHFFFAOYSA-N 480.455 0.996 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 1861809617 OYIQLVPGKDNRGE-YJBOKZPZSA-N 465.463 0.225 5 10 JCBE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867817078 XGJHGWRJQUSLOI-AWEZNQCLSA-N 467.435 0.505 5 10 JCBE COCCOC(=O)COc1cn(CCOCCO)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870906824 QCPZILOHRLVXQS-UHFFFAOYSA-N 465.459 0.946 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCN(C)C)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645181 MGWNSMDZVZOCMB-UHFFFAOYSA-N 473.538 0.928 5 10 JCBE O=C(NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1873770392 DMBTUHCLKVWLCH-HIFRSBDPSA-N 491.482 0.844 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)[C@@H](C)C1 1286876034 ICPNSBRCKUONLV-HNNXBMFYSA-N 477.547 0.946 5 10 JCBE CC(=O)N1CCN(c2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C(C)=O)CC3)n2)CC1 1871730591 AXZKGKZQSRWKJE-UHFFFAOYSA-N 469.506 0.860 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1 1872984325 WXTAXJARIJKUJC-XHDPSFHLSA-N 452.851 0.881 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(Cc4ccnn4C)CC3)cc2[N+](=O)[O-])CC1 1472386790 CNQRBIHFUADTBU-UHFFFAOYSA-N 455.519 0.955 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820560 FDQREDGLLLKHNE-SFHVURJKSA-N 485.453 0.603 5 10 JCBE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 2037814232 AGWYHLDAEVAMEC-XLIFZOOWSA-N 496.425 0.408 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734804 QYZPASSVFRRTBT-ZBFHGGJFSA-N 485.497 0.450 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867356902 COVYKKQYSYXMMV-GOSISDBHSA-N 472.454 0.437 5 10 JCBE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867830407 AIMCOGWHHMGKLA-OAHLLOKOSA-N 467.435 0.587 5 10 JCBE Cc1c(C(=O)Nc2nc(N(C)CCO)nn2[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870029208 HOQXCKZCGQGOLJ-NSHDSACASA-N 483.463 0.443 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705203 CRKVCRWIEOGNMN-UHFFFAOYSA-N 487.565 0.798 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3cccnc3)[nH]2)cc1[N+](=O)[O-] 1871706980 DWKAYGHNMPONCU-UHFFFAOYSA-N 481.517 0.497 5 10 JCBE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 1690863508 FYHCHAMMTCQETJ-OXJNMPFZSA-N 484.561 0.930 5 10 JCBE CCN1CCN[C@@H](C(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)C1 1860878985 MXTNGKDPERLFDI-QUCCMNQESA-N 458.563 0.814 5 10 JCBE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867804393 PWQDGWZBMCYTOI-HXUWFJFHSA-N 468.463 0.306 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871644765 HJSCQNBAYDXFFL-UHFFFAOYSA-N 452.479 0.196 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705471 KPTVBJVNCREZNT-UHFFFAOYSA-N 459.511 0.051 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705922 VWKNWKPOCGNDQZ-UHFFFAOYSA-N 473.538 0.441 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)Cc3ccccc3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871707719 ATVGNDJWUMGMCA-UHFFFAOYSA-N 496.528 0.923 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 97975571 UZMKMTNQYIJXTD-RKFFNLMFSA-N 465.411 0.000 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 101178976 HANQNSOXWBEEGZ-SWBPCFCJSA-N 468.415 0.630 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)c1 1858650943 YQSQYSXLOUOYTF-UHFFFAOYSA-N 466.428 0.606 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCc3cnc[nH]3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645172 GYUJPFTVKWVKTC-UHFFFAOYSA-N 466.506 0.722 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](CC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037545242 HXSPSFUNWCZTGO-QIYYAMEXSA-N 468.415 0.617 5 10 JCBE O=[N+]([O-])c1c(N2CCN(CCO)CC2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40613516 RLGVHCYNKNGMSA-UHFFFAOYSA-N 471.518 0.550 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NCCS(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 1632646147 JEFXRSGLKUKQAZ-UHFFFAOYSA-N 452.411 0.928 5 10 JCBE COC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)C1 1860906442 YNTVAEDZUDACGZ-CYBMUJFWSA-N 458.431 0.504 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 1865731907 BAPBTOGVQGSQEI-ZOWXZIJZSA-N 471.470 0.323 5 10 JCBE CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 506752858 HSWMIFFXXXKMIR-GOSISDBHSA-N 469.564 0.970 5 10 JCBE CN(C)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645643 NLIATSUIBPKFFT-UHFFFAOYSA-N 494.486 0.983 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867787587 NFRUOBBZPLQLGP-CQSZACIVSA-N 499.571 0.250 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H](O)c3ccc(Cl)cc3)[nH]2)c1 1871520682 KRXJHRNUOSVSIB-SFHVURJKSA-N 489.920 0.957 5 10 JCBE Cn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873543907 IFGFJHOPTAGYTG-UHFFFAOYSA-N 494.556 0.953 5 10 JCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865721446 SAXNPGSICMWUOA-HNNXBMFYSA-N 472.502 0.145 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793392 QRNZWYYYQMYOLJ-UKRRQHHQSA-N 467.548 0.534 5 10 JCBE Cc1nnc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)n1C 1869753653 KFHVRXPTVHIFHR-HNNXBMFYSA-N 486.533 0.335 5 10 JCBE C[C@@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870398106 IDPIQNYEUNTOMG-OAHLLOKOSA-N 487.513 0.852 5 10 JCBE COCCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574333 FONBEDKLGYQEPM-UHFFFAOYSA-N 450.887 0.747 5 10 JCBE O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 1860845816 IPPOAEPVBYZPCM-FNORWQNLSA-N 471.474 0.206 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1865718705 NJNBBFOCHHQABA-MRXNPFEDSA-N 497.439 0.848 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865734655 NOMAKUXEGMBUAD-HOCLYGCPSA-N 485.497 0.450 5 10 JCBE CC[C@@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867786400 WGZKNTQNWHYVOI-JOCHJYFZSA-N 477.518 0.889 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 1870031890 WJOJYFVSCXARRK-LLVKDONJSA-N 458.884 0.880 5 10 JCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 255986814 LZJMHONERNXSNV-NPSOMJIGSA-N 490.517 0.058 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccco1)=C(N)O2 1865717313 TUZXSGWHBHPIIG-CQSZACIVSA-N 453.411 0.596 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCCC1)=C(N)O2 1865718650 NKWSPSBLPAJFNK-AWEZNQCLSA-N 457.443 0.451 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795747 PLTJJFFEOKKCOV-CQSZACIVSA-N 460.443 0.482 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865734782 QMYJPKJQUHGDBQ-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 1867805730 DZXVWXCHLZFKQZ-INIZCTEOSA-N 495.510 0.813 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619201 CBVXVZYUCITYTO-UHFFFAOYSA-N 486.577 0.882 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)N[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 1873000901 XZEBGXPMMHOESG-XJKCOSOUSA-N 462.459 0.625 5 10 JCBE O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860766857 ACSRDRUHJKHPAO-UHFFFAOYSA-N 470.446 0.290 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870697057 VZKNDBIOILPNCI-UHFFFAOYSA-N 489.485 0.095 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3cccnc3)[nH]2)cccc1[N+](=O)[O-] 1871642579 YVCLIGIOBYVPPO-UHFFFAOYSA-N 465.518 0.797 5 10 JCBE Cn1c(O)nc(N2CCN(C(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)CC2)cc1=O 1890804576 SDKYSVCDFYIDLI-UHFFFAOYSA-N 466.454 0.567 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1867360217 ITZGXVVOBPPOMP-QGZVFWFLSA-N 450.473 0.082 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Oc2ccccc2C)c([N+](=O)[O-])cc1OC 1867807062 RLGVVZLEARULGY-AWEZNQCLSA-N 461.427 0.733 5 10 JCBE COc1cc(C(=O)NCC(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)c([N+](=O)[O-])cc1OC 1869756930 ZEOJJWWPNGVBID-UHFFFAOYSA-N 478.483 0.574 5 10 JCBE CN(C)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1869964106 IWBQTVBYXLRVBA-LLVKDONJSA-N 491.486 0.237 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1741043762 SPSIGSKOWIBJTE-INIZCTEOSA-N 477.547 0.803 5 10 JCBE CN(C)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865718871 QFFOWOLVEUDDJQ-CQSZACIVSA-N 492.920 0.408 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1869958683 FSLSOUACIBESLE-LBPRGKRZSA-N 488.910 0.243 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(O)CC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870062877 VFMPCTSVPSISOU-CQSZACIVSA-N 464.504 0.490 5 10 JCBE O=C(COc1cn(CCCO)c(CN2CCN(CCO)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398819 ZWTHZCYMYBFPPZ-UHFFFAOYSA-N 489.529 0.266 5 10 JCBE C[C@H](O)CN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576540 XMZMWWIKTOVFID-JTQLQIEISA-N 450.887 0.515 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787881 ANPXRHFSJKSXJN-VQTJNVASSA-N 486.525 0.805 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] 1867795031 BWVUKUXYEUYFJO-INIZCTEOSA-N 468.470 0.315 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccccc1)=C(N)O2 1865716198 UXZOMYCAZZWECN-INIZCTEOSA-N 479.449 0.709 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865738960 ZNZFMENXHMBLKX-OAHLLOKOSA-N 473.486 0.308 5 10 JCBE CN(C)c1ccc(NC(=O)CNC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867781414 ABGXDQGNNJQEFC-UHFFFAOYSA-N 484.513 0.982 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867798535 TULRYAXIUOJVKR-SUMWQHHRSA-N 457.487 0.958 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCCS(C)(=O)=O)CC1 1706003203 KAXGRMNWFITAEA-UHFFFAOYSA-N 493.590 0.888 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 1867884451 WCZNLYQKJQESTE-MRXNPFEDSA-N 455.943 0.871 5 10 JCBE COc1ccc(N=c2[nH]c(N(C)C)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871706663 LXKJLYKCJNJRMB-UHFFFAOYSA-N 474.503 0.701 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=S)NCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 586403086 NOIVTIXTGCKXNK-UHFFFAOYSA-N 451.530 0.679 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1cccnc1)=C(N)O2 1865717576 ZMBWAZCGANTXON-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1867770340 AQLBYKDRKRIXTE-ZDUSSCGKSA-N 474.923 0.895 5 10 JCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869751817 MJRWDWBPPCKZEI-KRWDZBQOSA-N 474.562 0.936 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCCN3CCOCC3)[nH]2)c1 1871521010 UOXDQZXYEJZMAL-UHFFFAOYSA-N 458.523 0.463 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1 1359385232 UOFJSPDGUPILPW-AWEZNQCLSA-N 465.536 0.802 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869953116 XZOAUKKBXFDZID-CQSZACIVSA-N 450.477 0.943 5 10 JCBE O=C(COc1cn(CCCCCO)c(CN(CCO)CCO)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397960 AGQVFGJJPMRAEO-UHFFFAOYSA-N 492.529 0.723 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 1890704912 DBJQCYZRODLBFL-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE O=C(NC1CC1)[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1892170988 HNHUHMURLSHIPL-ROUUACIJSA-N 466.516 0.644 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865734739 PMYFEBQRGWPMRR-HNNXBMFYSA-N 455.471 0.945 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC 1867806476 KWSCWUWXJFDITM-HNNXBMFYSA-N 461.427 0.733 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621040 FGKJPFWAVAEEKC-UHFFFAOYSA-N 457.539 0.572 5 10 JCBE Cc1ccc(N=c2nc(N3CCC(C(N)=O)CC3)[nH]c(N3CCC(C(N)=O)CC3)n2)c([N+](=O)[O-])c1 1871732921 IFMDDDSASUQWNI-UHFFFAOYSA-N 483.533 0.657 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1 1858985387 BZGJSAPAVJATHN-UHFFFAOYSA-N 475.527 0.800 5 10 JCBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620403 DNMYJMSGZILYEC-UHFFFAOYSA-N 476.519 0.465 5 10 JCBE CCOCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707051 HIUPAZIMTGOWFP-UHFFFAOYSA-N 451.484 0.005 5 10 JCBE Cc1c(C(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861786140 WHRKGDDZCOTNQD-LBPRGKRZSA-N 479.471 0.936 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 1865736127 JHTKJIARXXOGIH-SWLSCSKDSA-N 455.471 0.945 5 10 JCBE CC(=O)Oc1ccc(C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)O)cc1 1866024053 OGSOOODRYYLELU-OAHLLOKOSA-N 455.379 0.928 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccncc3)[nH]2)cccc1[N+](=O)[O-] 1871644465 UWJJGTNEXZIMIZ-UHFFFAOYSA-N 465.518 0.797 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871707302 JPRFIXJJKRBZMY-HNNXBMFYSA-N 472.506 0.668 5 10 JCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843974 AIDKNYJUPSFJKW-LBPRGKRZSA-N 453.408 0.115 5 10 JCBE CCN(CCO)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644285 VDMBHNUQNZSDDG-UHFFFAOYSA-N 476.519 0.602 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COc2ccccc2O1 2330635140 KIRAEVTUVKLQTC-IAGOWNOFSA-N 454.439 0.924 5 10 JCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)ccc1[N+](=O)[O-] 1858979474 XBDHEUIOFHVDSF-UHFFFAOYSA-N 480.455 0.648 5 10 JCBE COCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863594180 GKGBVGHAQTYSRK-UHFFFAOYSA-N 474.495 0.801 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCCc1ccc(O)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792920 NHGAQKQLCSLRRB-IBGZPJMESA-N 472.498 0.977 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC 1867806477 KWSCWUWXJFDITM-OAHLLOKOSA-N 461.427 0.733 5 10 JCBE CCc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1867832849 HGLMSYFSDJLNPR-QGZVFWFLSA-N 460.399 0.878 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833237 KJCIGFPKMQGTKX-SFHVURJKSA-N 471.426 0.295 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCN(C)C)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870696210 AYJNEQDSLCFQIU-UHFFFAOYSA-N 477.518 0.768 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c([N+](=O)[O-])c1 1890705390 XOLYJHAJNYDGNV-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2C[C@@H](C)O)cc1[N+](=O)[O-] 1871032922 NFUVASUDVOOSTJ-OAHLLOKOSA-N 476.486 0.996 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845505 HVKGXYKVFRABGK-HNNXBMFYSA-N 460.399 0.932 5 10 JCBE O=C(NCCOCCO)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872615667 DFFLOGSKRXPYSO-SFHVURJKSA-N 455.464 0.749 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865739575 QMYJPKJQUHGDBQ-INIZCTEOSA-N 484.513 0.239 5 10 JCBE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1866025011 NVYXRZUEALWDRW-SNVBAGLBSA-N 455.383 0.516 5 10 JCBE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCN(C)C)CC3)CC2=O)cc1[N+](=O)[O-] 1872942685 CZLVQNNYLDMRGW-INIZCTEOSA-N 461.519 0.873 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 1891331955 QERUPMOFBUWATP-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865734822 REPUWFDYWCGWML-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE CCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865624176 SRZYWSYTGOMJNC-KRWDZBQOSA-N 470.486 0.982 5 10 JCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 1867359994 GUNMRJRTECJDEI-VGOFRKELSA-N 459.455 0.653 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])c(N3CCOCC3)cc1N1CCOCC1)O2 20101480 HMTGWUIDKYNDOR-GOSISDBHSA-N 459.459 0.147 5 10 JCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 1858645471 FYWQQFXJWLWFMN-UHFFFAOYSA-N 476.515 0.675 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCCS(=O)(=O)c1ccccc1 1867781552 CXCWUIDKZPAPET-UHFFFAOYSA-N 476.511 0.751 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832838 HEMJPYKKHZRGCM-AWEZNQCLSA-N 462.371 0.324 5 10 JCBE Cc1c(C(=O)N[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861786139 WHRKGDDZCOTNQD-GFCCVEGCSA-N 479.471 0.936 5 10 JCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC[C@@H]1CCS(=O)(=O)C1 1867782437 UMJLJWZCPMUEJH-HZPDHXFCSA-N 482.559 0.881 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820612 FJRJHVVNNQLYPW-WFASDCNBSA-N 472.476 0.233 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1867883438 NILITZVXVWPHHV-CYBMUJFWSA-N 474.923 0.895 5 10 JCBE C[C@@H]1CN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)C[C@@H](C)O1 1869951273 UGCBQVLDJUFAAX-IOASZLSFSA-N 464.504 0.834 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 1865736126 JHTKJIARXXOGIH-IUODEOHRSA-N 455.471 0.945 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)cc2[N+](=O)[O-])CC1 1443356263 LOPNQJHMYKZJRW-UHFFFAOYSA-N 455.519 0.955 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCc2cn3c(n2)C[C@@H](C)CC3)c([N+](=O)[O-])cc1OC 1867806249 IHLZIOFZXRVSQL-XJKSGUPXSA-N 475.502 0.840 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(Oc2ccc(C(=O)N3CCOCC3)cc2)C1 1869881292 PAOGDQXZBKJKTR-UHFFFAOYSA-N 494.460 0.953 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCOCC3)[nH]2)ccc1Cl 1871576365 PLEAXONODZDSLK-UHFFFAOYSA-N 478.941 0.991 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC[S@](C)=O)CC3)cc2[N+](=O)[O-])CC1 1465321083 HSCBUBGKLZQTPX-HKBQPEDESA-N 451.549 0.400 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(=O)NC(C)C)CC1 1706002562 CACHFBXPTSEXST-UHFFFAOYSA-N 472.550 0.978 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn12 1867771208 JNRBCSLEWFOSLB-NSHDSACASA-N 453.868 0.505 5 10 JCBE CC(=O)N1CCN(c2nc(=Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871731990 ZZJJZLYWAGPXLM-UHFFFAOYSA-N 469.506 0.282 5 10 JCBE COCCN(CCOC)C(=O)c1nonc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1872674123 CBHPFIYYINBLJM-UHFFFAOYSA-N 453.408 0.739 5 10 JCBE CCc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCCN(C)C)CC3)CC2=O)cc1[N+](=O)[O-] 1873016098 HPEOWRZGWBZHBU-SFHVURJKSA-N 474.562 0.332 5 10 JCBE CCCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CC(O)C1)=C(N)O2 1865586468 QPVLZWWRGYYROE-QGZVFWFLSA-N 471.470 0.950 5 10 JCBE CC(=O)Oc1ccc(C[C@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)O)cc1 1866025820 DGTOLVDEKHRWIW-KRWDZBQOSA-N 455.379 0.928 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645527 PZLMFNGXQBIDEK-UHFFFAOYSA-N 490.521 0.375 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cccc1[N+](=O)[O-] 1871646087 UMKAVKIXVHVPJP-UHFFFAOYSA-N 466.506 0.755 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])c1 1872643111 JCCCUESIFFYMEZ-UHFFFAOYSA-N 476.446 0.675 5 10 JCBE O=C(CCn1c2ccccc2c2nc3ccccc3nc21)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 170567200 KMIXRIRTDLLPLJ-WXYBFKHDSA-N 452.467 0.044 5 10 JCBE COCCN(CCOC)C(=O)Cc1ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c1 1860846885 ZUFVXYMLXFVXJB-UHFFFAOYSA-N 474.536 0.527 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871707768 BKTNZIJXLJPJOR-UHFFFAOYSA-N 467.490 0.502 5 10 JCBE COCCN(C(=O)NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 217307011 GMAAUYDTRWIREI-AWEZNQCLSA-N 468.488 0.426 5 10 JCBE O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892371663 AJUYHQPTRYFSNU-RTBURBONSA-N 480.543 0.988 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256020498 KTFAOKJJGXUADA-PWIGDYEPSA-N 496.425 0.408 5 10 JCBE C/C=C1\C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@@H]1OC(C)=O)[C@@]23O 256325564 UJFFAMMZKASLBJ-OGZPZVPHSA-N 466.507 0.770 5 10 JCBE O=C(N=c1nn[nH][nH]1)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858997252 RRFBSBZMITUATO-UHFFFAOYSA-N 460.432 0.013 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867845908 LEUNIWRLFRPSIW-OAHLLOKOSA-N 480.455 0.492 5 10 JCBE Cc1nnc(CN2CCN(C(=O)CSc3nnc(-c4ccc([N+](=O)[O-])cc4)n3N)CC2)o1 59791035 CKQWOYVXFHIGJW-UHFFFAOYSA-N 459.492 0.695 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 110346053 UZMKMTNQYIJXTD-KPACCLEDSA-N 465.411 0.000 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865719309 VAAXHXFFIYJYJU-QGZVFWFLSA-N 493.476 0.882 5 10 JCBE O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872904907 BUVVPAXBYYQQIX-CVEARBPZSA-N 478.527 0.490 5 10 JCBE CN(C)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865718435 KLCRJBFIHYIGHG-ZDUSSCGKSA-N 478.893 0.018 5 10 JCBE Cc1cc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] 1867873049 FYKDXWQGWNHJLE-QGZVFWFLSA-N 464.500 0.390 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1867909044 JTRPRUHLVLIUNH-CQSZACIVSA-N 474.923 0.895 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865736671 FFBYAGHVTSOQQG-HNNXBMFYSA-N 473.486 0.308 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CC1 1359400282 HBQFUBILRMAAAI-UHFFFAOYSA-N 456.507 0.344 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1cccc([N+](=O)[O-])c1 1865464142 OMCWMRXPRHECGX-GOSISDBHSA-N 456.503 0.951 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721287 OOROBJHGFTTWME-OAHLLOKOSA-N 481.469 0.090 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865738471 VSSKDDQDKBCQFP-INIZCTEOSA-N 484.513 0.241 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cc1[N+](=O)[O-] 1867800325 SYPOAAMXVBJPLE-LPHOPBHVSA-N 487.513 0.899 5 10 JCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl 1869858525 XRRFDIVCTNUOTC-UHFFFAOYSA-N 467.910 0.371 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)O)cc2)c1 1858650796 RZPRBQBFONNQHJ-NSHDSACASA-N 480.455 0.994 5 10 JCBE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] 1860873707 PQYZDSIYZODBDR-OAHLLOKOSA-N 456.521 0.636 5 10 JCBE Cc1cc(N(C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)[C@@H]2CCCN2)no1 1869750361 ZUECEGZLFHQUPJ-INIZCTEOSA-N 486.485 0.769 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CCN(C)CC3)cc2=O)c([N+](=O)[O-])c1 1870696470 IUXQOPICBJSUFC-MRXNPFEDSA-N 489.529 0.911 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871707771 BMRIVTWBRHTIDZ-UHFFFAOYSA-N 473.538 0.454 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 1891331799 HFCIDRDYFYUZID-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)c([N+](=O)[O-])cc1OC 1867806408 JAJAFGRBVNYSMY-HNNXBMFYSA-N 485.453 0.266 5 10 JCBE Cn1nc(N2CC(O)C2)nc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870001340 ZQDLTSSIRBLUFO-UHFFFAOYSA-N 457.447 0.699 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706485 FILDIQPWVNLVQP-UHFFFAOYSA-N 474.522 0.081 5 10 JCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1873787269 GEPKCTGUHREGGF-UHFFFAOYSA-N 476.471 0.064 5 10 JCBE COc1nc(CNC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)nc(N2CCOCC2)n1 1891483851 BCSJZKUKWAJPNX-UHFFFAOYSA-N 481.469 0.765 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848294 WLZDYIQZXCPHSY-CQSZACIVSA-N 460.399 0.932 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCOCCO)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871717810 XFYOEXCUGAHIRP-UHFFFAOYSA-N 496.528 0.820 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCCCn2ccnc2)c([N+](=O)[O-])c1 1872644592 WNIYIFAEYGQVPT-UHFFFAOYSA-N 459.419 0.949 5 10 JCBE NCCc1ccc(S(=O)(=O)NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 243810384 QQCPWDHNCRENLN-UHFFFAOYSA-N 460.468 0.977 5 10 JCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 1858647030 RZIUFSZCCRQXBS-UHFFFAOYSA-N 490.542 0.604 5 10 JCBE NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1861027808 GSAXEQXIGTYPIA-HNNXBMFYSA-N 455.899 0.451 5 10 JCBE COC(=O)Cc1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc1C(=O)OC 1873752124 SWKVCQPPWAMSMU-UHFFFAOYSA-N 462.396 0.788 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCc2nn3c(C)nnc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820149 BGUSQWBXYQCDSM-LBPRGKRZSA-N 478.447 0.069 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621996 WIWLDBSTPDSYGL-UHFFFAOYSA-N 474.522 0.019 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H](O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793475 SFTPMBLCPQNAII-YOEHRIQHSA-N 464.500 0.433 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1868045739 SDVPXBLZPKRLMT-UHFFFAOYSA-N 460.468 0.977 5 10 JCBE C[C@@H](O)Cn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870589807 IKHZOFHNGNDAHN-OAHLLOKOSA-N 479.486 0.369 5 10 JCBE COc1ccc2nnc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2n1 1892055300 QTLCLWPMWLLMLR-OAHLLOKOSA-N 475.487 0.901 5 10 JCBE CCS(=O)(=O)CC[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 170490657 OIDPSLNCRRLJIY-AWEZNQCLSA-N 455.445 0.365 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1866893381 UZAKGPJDTFGFDB-CQSZACIVSA-N 467.456 0.745 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCc1ccccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787934 BKKNSTXESWVKLU-KRWDZBQOSA-N 458.471 0.587 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869946468 JDSIQEIASPAUFW-INIZCTEOSA-N 477.503 0.467 5 10 JCBE Cc1c(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCOCCO)cccc1[N+](=O)[O-] 1871035642 XADHQFNECIQSNK-UHFFFAOYSA-N 490.513 0.924 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)cc2[N+](=O)[O-])CC1 1651430166 PKPNQSOZMUGFRI-IRXDYDNUSA-N 450.517 0.770 5 10 JCBE COC(=O)[C@@H]1CCCN1C(=O)CCc1nnc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1O 1860896671 VYZHQQHOGXOPJV-HNNXBMFYSA-N 474.430 0.843 5 10 JCBE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1866024436 XHKAZQNDGCCLNV-LLVKDONJSA-N 469.410 0.906 5 10 JCBE Cc1nnc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)n1C 1869789248 LEGAYKZVJZKZML-UHFFFAOYSA-N 460.451 0.797 5 10 JCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(CC(C)=O)CC1 1869752906 FXQHWDDAMMWVQP-SFHVURJKSA-N 461.519 0.673 5 10 JCBE O=C(Nc1nc(N2CCOCC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869952373 AARYPQLGWRXXBR-GFCCVEGCSA-N 481.447 0.543 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576309 NSXRVMFSKACMGC-UHFFFAOYSA-N 450.887 0.483 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861807402 WJTOIVYYOBISTO-GFCCVEGCSA-N 479.471 0.936 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)NCCc2nn3cnnc3s2)c1 1859124659 DWUHYIYSCWEMMR-CYBMUJFWSA-N 463.501 0.977 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867847345 SEPMJSSVPUBGRV-JSGCOSHPSA-N 472.476 0.233 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577837 CWMQGEBIMSKODB-UHFFFAOYSA-N 477.913 0.270 5 10 JCBE COc1cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc(c1OC)c2c34 257527442 QXQRDKINPINYFD-GKJLGQBJSA-N 476.390 0.334 5 10 JCBE biogenic COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871705848 RUUXOLHJLILDSG-UHFFFAOYSA-N 476.538 0.065 5 10 JCBE CCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865730369 QANQATLFTNUSMI-ZDUSSCGKSA-N 479.877 0.181 5 10 JCBE C[C@@H]1CCn2cc(CCNC(=O)[C@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1 1867834269 RUJQGGSNLRMXET-PXAZEXFGSA-N 460.447 0.731 5 10 JCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC[C@H]1CCS(=O)(=O)C1 1867782436 UMJLJWZCPMUEJH-HOTGVXAUSA-N 482.559 0.881 5 10 JCBE Cc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867871714 UDKFMHRFUZVHGX-RDJZCZTQSA-N 478.527 0.819 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1 1869954910 VMVZJCQLDGMPRJ-UHFFFAOYSA-N 495.452 0.201 5 10 JCBE COc1ccc(CN=c2nc(N(CCO)CCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1 1871708426 MECHXKYEBPTZID-UHFFFAOYSA-N 485.501 0.788 5 10 JCBE CN(CCO)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521427 ZYVLDAXUBDANFZ-UHFFFAOYSA-N 474.503 0.055 5 10 JCBE O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872599668 RVGLGDQDFRLONX-FQEVSTJZSA-N 462.528 0.933 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COc2ccccc2O1 2330596384 VNFOWQJEPIMLRN-SJORKVTESA-N 454.439 0.924 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 77311853 UZMKMTNQYIJXTD-QNDFHXLGSA-N 465.411 0.000 5 10 JCBE in-vitro CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)cc2[N+](=O)[O-])CC1 1360629863 PDXNIGANKJIGFR-KRWDZBQOSA-N 455.475 0.532 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1516521699 JEXCJBDHFYKPDS-QGZVFWFLSA-N 456.546 0.823 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 1861123626 KIRAEVTUVKLQTC-IBHATUTGSA-N 454.439 0.924 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OC 1867807406 YDBNGEWKTRUWIN-HNNXBMFYSA-N 460.443 0.766 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cccc1[N+](=O)[O-] 1871641531 DHNDFPWTGIQOPM-HNNXBMFYSA-N 456.507 0.968 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4cccc(O)c4)[nH]3)CC2)cc1 1871716404 PSQVRBLWYWOVQX-UHFFFAOYSA-N 452.475 0.804 5 10 JCBE CC(=O)NCCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872623137 HXYFPBKSNDNLBJ-GOSISDBHSA-N 452.464 0.876 5 10 JCBE O=C(Cc1nonc1OCc1cc([N+](=O)[O-])cc2c1OCOC2)NCCN1C(=O)CSC1=O 1872655569 XTHCKJWYKILBFL-UHFFFAOYSA-N 479.427 0.777 5 10 JCBE Cn1cc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc([N+](=O)[O-])c1=O 1891764327 CJSOFCLUHCLJDG-UHFFFAOYSA-N 475.469 0.839 5 10 JCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 1869833716 DNPOLNONDULUAJ-UHFFFAOYSA-N 467.910 0.371 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870051153 BZCGMAPNHWHCMT-CQSZACIVSA-N 452.493 0.925 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCOCC1 1870398160 KQRMQMSNSJWXPG-UHFFFAOYSA-N 473.486 0.742 5 10 JCBE CN1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578301 XXPXVWTZGPIDMN-UHFFFAOYSA-N 452.903 0.193 5 10 JCBE O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 96837075 DZUSNOPVGIMEFW-YSIZUZRCSA-N 491.522 0.840 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865720872 GVTZIBWCKJTCIC-HNNXBMFYSA-N 481.469 0.090 5 10 JCBE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736573 NAOXOSBBDRENFV-BFQNTYOBSA-N 485.497 0.897 5 10 JCBE COc1cc(C(=O)NCC(=O)NCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867794851 YUASXQFPLVWBBY-UHFFFAOYSA-N 451.457 0.932 5 10 JCBE CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605656 BNQCXMFLNUELHM-KRWDZBQOSA-N 470.529 0.862 5 10 JCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865620146 GJDVVVUMUFVQKG-KRWDZBQOSA-N 456.459 0.728 5 10 JCBE Cc1cc(C(=O)NC(C)(C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] 1869834794 JQQWANBWTYTJPM-UHFFFAOYSA-N 475.546 0.805 5 10 JCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2C[C@@H](C)O)CC1 1870397566 KFCIVPFGJKPOFK-MRXNPFEDSA-N 487.513 0.819 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)c([N+](=O)[O-])c1 1890704940 FHIBBBYNOXDLBD-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE COCCN(CCOC)c1nc(=NCCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706072 YBFFQQBCDBTSAB-UHFFFAOYSA-N 451.484 0.269 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 1872628259 IGRGTJRNDATIEN-UHFFFAOYSA-N 477.430 0.912 5 10 JCBE NCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@@H](O)[C@H]1O 96029175 OAFPVFZXWPVEBS-FVQSIRDASA-N 461.504 0.658 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1749885247 SPCIJFRRYDYCEP-LJQANCHMSA-N 491.574 0.641 5 10 JCBE CN(C)CCN(C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 1859464004 ZRJHKKQKURPSFS-AWEZNQCLSA-N 466.516 0.548 5 10 JCBE CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCN(CCO)CC3)cc2[N+](=O)[O-])CC1 1860902739 ZGGGTQRERPBIKQ-FQEVSTJZSA-N 474.562 0.088 5 10 JCBE CCOC(=O)N1CCN(C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1860919372 HKTKRPKNTVJXIQ-UHFFFAOYSA-N 499.546 0.706 5 10 JCBE C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869926959 KAWIDBJPQTVPGP-CYBMUJFWSA-N 497.489 0.873 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869947078 UODAWWXVFNJRFD-INIZCTEOSA-N 491.530 0.775 5 10 JCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 1858645484 GVRKHKSGJFSILZ-NSHDSACASA-N 450.429 0.986 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC(=O)N=c2nc[nH][nH]2)cc1 1858673984 AZSFKQYWUHRTTR-UHFFFAOYSA-N 459.444 0.504 5 10 JCBE CCN1CCN[C@@H](C(=O)c2ccc(N3CCN(C(=O)c4cnccn4)CC3)c([N+](=O)[O-])c2)C1 1860876318 DCFLNFOOTFOCSQ-GOSISDBHSA-N 453.503 0.824 5 10 JCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCC[C@H](O)CN1CCCCC1 1867782899 XQQYZMXXVGXDAA-HKUYNNGSSA-N 477.562 0.903 5 10 JCBE C[C@H]1CN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)C[C@H](C)O1 1869935393 JVWPDJMZULMESK-RYUDHWBXSA-N 457.447 0.962 5 10 JCBE CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](CC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037545241 HXSPSFUNWCZTGO-LVQIXTDASA-N 468.415 0.617 5 10 JCBE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2N)CC1 253573737 RTOWHBDJUSAHHE-UHFFFAOYSA-N 462.536 0.328 5 10 JCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1873010861 CAZHQULLBVBQDB-OAHLLOKOSA-N 476.515 0.821 5 10 JCBE Cc1c(C(=O)Nc2nc(N(C)CCO)nn2[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870029206 HOQXCKZCGQGOLJ-LLVKDONJSA-N 483.463 0.443 5 10 JCBE CN(C[C@H]1CCCO1)C(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870103581 KUCHRDFUMBENNB-MRXNPFEDSA-N 485.457 0.448 5 10 JCBE COCCCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708317 YBELVWKQVJPMPM-UHFFFAOYSA-N 465.511 0.923 5 10 JCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1873010860 CAZHQULLBVBQDB-HNNXBMFYSA-N 476.515 0.821 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1891266882 VTWOAIWJPVAKHZ-IYBDPMFKSA-N 462.418 0.834 5 10 JCBE CC(C)(C)OC(=O)NCC(=O)N1CCCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 218989926 JAKFAMGHMFZMOJ-UHFFFAOYSA-N 489.485 0.776 5 10 JCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] 1867873048 FYKDXWQGWNHJLE-KRWDZBQOSA-N 464.500 0.390 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871706863 DRSAYNKIRFWPHZ-UHFFFAOYSA-N 490.565 0.455 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 1867348579 XJUAWJDUJWMFBU-AWEZNQCLSA-N 456.502 0.184 5 10 JCBE COCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313861965 KBWNYGKWORGLRO-OAHLLOKOSA-N 450.473 0.389 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865734802 QYZPASSVFRRTBT-GOEBONIOSA-N 485.497 0.450 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867782576 CNEKXXLLHBNHHP-GOSISDBHSA-N 490.538 0.876 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791440 DVRJEFDPBVBQQU-GHTZIAJQSA-N 490.488 0.901 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870697101 XCHQXWXIBXGSOG-OAHLLOKOSA-N 476.486 0.996 5 10 JCBE O=C1CSC(=O)N1CCN=c1nc(N2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519758 YDSVQOYCLIJNSQ-UHFFFAOYSA-N 460.476 0.311 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871643382 CXNXDESPOGARMA-UHFFFAOYSA-N 485.593 0.950 5 10 JCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 255986815 LZJMHONERNXSNV-UHQDVWGKSA-N 490.517 0.058 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1867770814 GMQMICBIGUIXRU-OAHLLOKOSA-N 455.876 0.929 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867846915 QENCVYIGJDUJPG-OAHLLOKOSA-N 460.399 0.932 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871621543 QQNDBERUNKDDPT-UHFFFAOYSA-N 466.506 0.450 5 10 JCBE O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OCCc1ccc([N+](=O)[O-])cc1 38232537 VCFMJYUZQIFLHF-SCFUHWHPSA-N 460.403 0.137 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1[N+](=O)[O-] 585491600 AQRNEZLIYLPWPG-UHFFFAOYSA-N 493.502 0.949 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865733980 ZUWVKOBAVWJMPM-CQSZACIVSA-N 491.888 0.324 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCCCN1[C@@H]1C(=O)CSC1=O 1866022815 NUMPVHRUESGIRA-WMLDXEAASA-N 460.468 0.720 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@@H](C)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1867782229 RFMQQAZTCDDGAA-GFCCVEGCSA-N 488.530 0.716 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870697099 XCHQXWXIBXGSOG-HNNXBMFYSA-N 476.486 0.996 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706445 CTMFLJAZUILZBU-UHFFFAOYSA-N 474.522 0.347 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)cc2[N+](=O)[O-])CC1 1360629864 PDXNIGANKJIGFR-QGZVFWFLSA-N 455.475 0.532 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 1861809610 OXIQSHMKUWIYRE-PBHICJAKSA-N 463.447 0.516 5 10 JCBE C[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868819572 JVPJXMGLZPZFLA-JKSUJKDBSA-N 452.533 0.963 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCN(C)C)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871705334 DUCZWUJELHLWFB-UHFFFAOYSA-N 489.537 0.628 5 10 JCBE C[N+](C)(C)CCO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1CC[C@@H](n2ccc(N)nc2=O)O1 254224179 NZCQWOIOZLKJHJ-YPMHNXCESA-O 457.337 0.460 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 1867805475 DLTRZWWEZFJLRU-OAHLLOKOSA-N 496.498 0.261 5 10 JCBE Cn1nc(N(CCO)Cc2ccccc2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869978457 CZLIATPIHFMGIV-UHFFFAOYSA-N 479.453 0.957 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705480 LGNAHDXDWWJGNN-KBPBESRZSA-N 463.495 0.410 5 10 JCBE O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 104797283 OQBASTJYQLSFHK-UHFFFAOYSA-N 491.438 0.944 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870043816 DUWHWLNTYWMYRQ-CQSZACIVSA-N 463.520 0.940 5 10 JCBE COCCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706130 PLVMPENWKULUQV-UHFFFAOYSA-N 461.479 0.777 5 10 JCBE CC(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1441395827 DUNRYOJARYAVDO-SFHVURJKSA-N 453.521 0.028 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@H]2c1ccc(O)c([N+](=O)[O-])c1 1864948781 LYHGZVJVYKAMMR-LBPRGKRZSA-N 484.391 1.000 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821848 PVIMUWLMUCOUJQ-MRXNPFEDSA-N 480.455 0.492 5 10 JCBE O=C1CC[C@H](N2C(=O)c3cccc(OCC(=O)Nc4cc([N+](=O)[O-])ccc4O)c3C2=O)C(=O)N1 1865838048 OMYGNTPKEMEHAG-ZDUSSCGKSA-N 468.378 0.719 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(Cc2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833053 IRBZMNICADOWCB-QZTJIDSGSA-N 487.425 0.731 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870051950 QABUOQYDPROWKF-CYBMUJFWSA-N 468.492 0.625 5 10 JCBE CCNC(=O)COc1cn(C[C@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870531327 FXPWFANDIUICSO-KRWDZBQOSA-N 473.530 0.974 5 10 JCBE O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCOCC3)[C@H]2C1)N1CCCC1 35870837 HBXGKLCOUCLBNI-TZIWHRDSSA-N 457.531 0.739 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCOC)CCOC)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621796 XBCGGNXOXJTMQV-UHFFFAOYSA-N 479.538 0.450 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1872917423 AYCLZSPWIWMBOB-SFHVURJKSA-N 473.530 0.953 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833447 LVNGCILUMTWDSN-CQSZACIVSA-N 485.475 0.150 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706425 CGBPRHYIFJRYPY-UHFFFAOYSA-N 488.549 0.471 5 10 JCBE O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872598321 FSGHUHNVRPCLKK-SFHVURJKSA-N 462.528 0.933 5 10 JCBE COC(=O)[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253614083 CTOASCJVNQFYNH-RXYDEIHYSA-N 455.372 0.667 5 10 JCBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCN2CCCC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793915 MJCZYWYGQABCKZ-YOEHRIQHSA-N 463.447 0.516 5 10 JCBE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867871627 SBVUGRLVRNOPCR-HIFRSBDPSA-N 484.556 0.881 5 10 JCBE Cn1nc(N2CCC(O)CC2)nc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870062611 YTLGQEWSJSVNKY-UHFFFAOYSA-N 457.447 0.699 5 10 JCBE COCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CC(O)C1 1870697155 WGSNSTTYAJANAF-UHFFFAOYSA-N 462.459 0.606 5 10 JCBE Cc1cc(C)n2[nH]c(=NC(=O)CSc3nnc(Cc4ccccc4[N+](=O)[O-])n3N)nc2n1 1874549800 FRWLZZYLBPQQHR-UHFFFAOYSA-N 454.476 0.698 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 1891331846 KDFDSUGIPNCSKV-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cnc([N+](=O)[O-])n5C)CC4)ncnc32)c1 1891768509 NHZSENQPTIMXPF-UHFFFAOYSA-N 464.446 0.823 5 10 JCBE O=C(N[C@H]1CCCN(C(=O)NCCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585933822 AQGFFGHMZAWUDD-HNNXBMFYSA-N 450.452 0.739 5 10 JCBE C[C@@H](C(=O)NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1C(=O)c2ccccc2C1=O 1860826278 KOUGLDSATWBUJE-HNNXBMFYSA-N 480.481 0.829 5 10 JCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC[C@@H]1CCS(=O)(=O)C1 1867782438 UMJLJWZCPMUEJH-JKSUJKDBSA-N 482.559 0.881 5 10 JCBE Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc2c1=O 1867832851 HIFMOGBITJSPHF-MRXNPFEDSA-N 470.398 0.157 5 10 JCBE O=C1CSC(=O)N1CCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576761 HIRMRNLKTAPOLG-UHFFFAOYSA-N 480.894 0.309 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCN(CC(=O)NCCN(C)C)CC3)CC2=O)cccc1[N+](=O)[O-] 1873016441 PQWQEEVZKFTHBC-KRWDZBQOSA-N 460.535 0.078 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCC(CO)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869982136 OFTWKOZLDWUMGW-INIZCTEOSA-N 478.531 0.936 5 10 JCBE CC(=O)NCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3C)C2)CC1 1872934304 GZBVZDKOVXLWIA-KRWDZBQOSA-N 459.503 0.747 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859455738 DOMWGSOHGGRZOZ-UHFFFAOYSA-N 460.468 0.977 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1865721012 ZUHJZVYUUROXNY-INIZCTEOSA-N 497.439 0.848 5 10 JCBE C[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868819571 JVPJXMGLZPZFLA-HZPDHXFCSA-N 452.533 0.963 5 10 JCBE O=C1CSC(=O)N1CCN=c1nc(N2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577182 QSRWRBSQXJRJKQ-UHFFFAOYSA-N 494.921 0.965 5 10 JCBE CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606020 LTZQODWXWOPABC-INIZCTEOSA-N 456.502 0.616 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832839 HEMJPYKKHZRGCM-CQSZACIVSA-N 462.371 0.324 5 10 JCBE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 1869624028 MTDGSIFMZAAYQM-NSHDSACASA-N 466.406 0.983 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCn3ccnc3)[nH]2)c1 1871519596 XTPRWKDNRSWYSZ-UHFFFAOYSA-N 468.522 0.180 5 10 JCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 2327469527 LDEFIDXYVKDHQC-UHFFFAOYSA-N 471.474 0.206 5 10 JCBE O=C1CC[C@@H](N2C(=O)c3cccc(OCC(=O)Nc4cc([N+](=O)[O-])ccc4O)c3C2=O)C(=O)N1 1865838047 OMYGNTPKEMEHAG-CYBMUJFWSA-N 468.378 0.719 5 10 JCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1867360692 OMQSLBBENGZIOB-GOSISDBHSA-N 464.500 0.806 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867788618 IRAPAVWLXUEKTN-GOSISDBHSA-N 486.481 0.552 5 10 JCBE NC(=O)COc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870666697 YJXSOPANVOAXIN-UHFFFAOYSA-N 481.513 0.909 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCC(CO)CC3)cc2=O)c([N+](=O)[O-])c1 1870697205 XQKNBYHXTGVWBG-UHFFFAOYSA-N 490.513 0.979 5 10 JCBE COc1ccc([N+](=O)[O-])cc1N=c1nc(N2CCC(C(N)=O)CC2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871735127 RKNIDHTZLQOMOM-UHFFFAOYSA-N 499.532 0.357 5 10 JCBE Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 15838407 PUZOQDIKOPIMSO-UHFFFAOYSA-N 461.548 0.956 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869832072 MRCQRRXRDXNUIO-IBGZPJMESA-N 475.546 0.805 5 10 JCBE C[N+](C)(CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 77285243 NAEXCCUZPJWPMZ-MFHSYZQISA-O 467.926 0.810 5 10 JCBE in-vitro COc1ccc(-n2nncc2C(=O)N[C@@H](CO)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 1866926321 QDKPDCDQLITJRB-HNNXBMFYSA-N 456.415 0.922 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 1867844907 DMUPGCSECBCUID-OAHLLOKOSA-N 495.470 0.460 5 10 JCBE COc1cc(C(=O)N[C@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)c([N+](=O)[O-])cc1OC 1869764546 ZXPQPZXBNBNLRN-GFCCVEGCSA-N 461.479 0.516 5 10 JCBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619367 JXRPZNZUZFGJIB-UHFFFAOYSA-N 460.539 0.492 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1873695776 JYQGPNLVRQWXRO-AWEZNQCLSA-N 479.449 0.476 5 10 JCBE O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892371656 AJUYHQPTRYFSNU-MOPGFXCFSA-N 480.543 0.988 5 10 JCBE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867357909 NUVHHYPGTSUPHD-RHSMWYFYSA-N 464.500 0.511 5 10 JCBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861130755 YXNGBVZILWRQPK-SNQZOLJRSA-N 489.510 0.322 5 10 JCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864891470 LGEZDKQSIAZBMX-KRWDZBQOSA-N 472.458 0.355 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nn12 1867784860 QGUOXXVUUDBJSS-AWEZNQCLSA-N 488.530 0.452 5 10 JCBE COc1cc(C(=O)NCC(=O)NCc2nc3ccccc3c(=O)n2C)c([N+](=O)[O-])cc1OC 1867794575 QGLLUXYXKQDBQZ-UHFFFAOYSA-N 455.427 0.905 5 10 JCBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10403535 PLYMQBYAIXFGTM-NFAHFFEMSA-N 450.473 0.389 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCN(C)C)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520451 INGUXYNIGUXABY-UHFFFAOYSA-N 459.511 0.619 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705482 LGNAHDXDWWJGNN-ZIAGYGMSSA-N 463.495 0.410 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=S)NCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 586405545 PVEILRHACMQLBI-UHFFFAOYSA-N 465.557 0.608 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCO)[nH]2)ccc1Cl 1871578145 RMNPQBIZBLXXFT-UHFFFAOYSA-N 451.871 0.768 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 1892371661 AJUYHQPTRYFSNU-RBUKOAKNSA-N 480.543 0.988 5 10 JCBE O=C(NCCN1CCOCC1)c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 1860842969 KMYJRYCNFHDOIR-HXUWFJFHSA-N 461.519 0.484 5 10 JCBE COCCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863588692 KJQWLNYABIOCEO-UHFFFAOYSA-N 474.495 0.801 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCCCCO)=C(N)O2 1865726750 PBMFNOFXHYAYAX-AWEZNQCLSA-N 493.904 0.619 5 10 JCBE CN(CCO)c1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870031092 HLOFFSGCFRXBBR-NFBGWVBBSA-N 450.477 0.626 5 10 JCBE O=C(Cc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 10591029 DSWGZXQFVAELCQ-UHFFFAOYSA-N 450.473 0.634 5 10 JCBE COCCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869975355 KZEXPOSQXXTCSC-QGZVFWFLSA-N 493.546 0.848 5 10 JCBE COCCN(CCOC)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576415 RLFGLFNEBVDMOQ-LBPRGKRZSA-N 455.903 0.913 5 10 JCBE O=C(NC[C@H](O)Cn1ccccc1=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892103157 VGHRIGPXEBUOBW-FUHWJXTLSA-N 464.500 0.477 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867873368 HYHHEGXXPMUSFN-AWEZNQCLSA-N 454.505 0.550 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705364 GCUMZZMZDRADGM-UHFFFAOYSA-N 459.555 0.881 5 10 JCBE O=C(NCCN1CCOCC1)c1ccc(N2CCN(C(=O)c3cnccn3)CC2)c([N+](=O)[O-])c1 1860849383 PHFWOEJGXNDYKP-UHFFFAOYSA-N 469.502 0.409 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1ccccc1[N+](=O)[O-] 1865615636 MAXSRLBMLLWQPN-GOSISDBHSA-N 456.503 0.951 5 10 JCBE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736578 NAOXOSBBDRENFV-XHBSWPGZSA-N 485.497 0.897 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN(C)C)cc2=O)c([N+](=O)[O-])c1 1870696647 MFUVGYKYZIXDCG-UHFFFAOYSA-N 461.475 0.980 5 10 JCBE COCCN(CCOC)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578267 WRZFNSIGPNVHJZ-UHFFFAOYSA-N 485.929 0.541 5 10 JCBE CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 1860902349 RKJXBPHVQYFURR-FQEVSTJZSA-N 474.562 0.400 5 10 JCBE CC1(C)S[C@H]2[C@H](NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)N2[C@H]1C(=O)O 1866021052 RPHMKSBJMGSMCQ-KEYYUXOJSA-N 450.473 0.677 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2nccc(N3CCOCC3)n2)CC1 1890705106 LNKWNHOUKMZANE-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865720521 BPVFEZAWFBSUKD-KRWDZBQOSA-N 498.540 0.679 5 10 JCBE CN(C)C1CCN(c2nc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870041299 VUCXRMOFYHZYAY-UHFFFAOYSA-N 456.463 0.488 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCn3ccnc3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519007 FEQBFRLRRFSGPO-UHFFFAOYSA-N 466.506 0.734 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 1858672671 MLQBNXKMOFDUEF-BJMVGYQFSA-N 472.443 0.370 5 10 JCBE Cc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867871712 UDKFMHRFUZVHGX-DOTOQJQBSA-N 478.527 0.819 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1870004229 SWNUXLYINYFSIE-SNVBAGLBSA-N 456.868 0.633 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578325 YPDUEYFPELNHKD-UHFFFAOYSA-N 466.886 0.703 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706393 APLIXWWFYKMMBD-HNNXBMFYSA-N 481.517 0.890 5 10 JCBE CN1CCCN(c2nc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3[nH]cnc23)CC1 1873702849 CJHICIRNUNXRCT-UHFFFAOYSA-N 479.457 0.638 5 10 JCBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229724 KBWNYGKWORGLRO-SZTZYQKNSA-N 450.473 0.389 5 10 JCBE O=C([C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 552450514 LTEPOXUUZPMSDI-KRWDZBQOSA-N 454.505 0.503 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1 586408293 JFWHJTFWDCJRFU-UHFFFAOYSA-N 467.529 0.645 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 1861809613 OXIQSHMKUWIYRE-YOEHRIQHSA-N 463.447 0.516 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(Cc2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833055 IRBZMNICADOWCB-ZWKOTPCHSA-N 487.425 0.731 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845507 HVKGXYKVFRABGK-OAHLLOKOSA-N 460.399 0.932 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@H]3CCCO3)[nH]2)ccc1Cl 1871575722 OBIMOUUDPAMHOK-OAHLLOKOSA-N 478.941 0.726 5 10 JCBE CCc1nn(CC)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCO)=C(N)O2 1864894733 NJUJJZSPQHKTMR-MRXNPFEDSA-N 459.459 0.948 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865734596 MKSNUOWCWHNZBH-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE CCOCCOC(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872628266 IOVLSZBVGNGAJL-UHFFFAOYSA-N 463.447 0.828 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)c1 1858678710 IVBPFSSOZYNMLL-UHFFFAOYSA-N 475.443 0.584 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865732072 FBVYFTKKTCZJRS-HNNXBMFYSA-N 487.469 0.098 5 10 JCBE CCS(=O)(=O)CC[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 170490649 HJXVAHXPDIGVGI-LBPRGKRZSA-N 455.445 0.365 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)NCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 217307048 PJVRJEDXTCQMSV-UHFFFAOYSA-N 475.483 0.770 5 10 JCBE CN([C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858198480 UFUYMYWNRAYQLG-IRXDYDNUSA-N 474.538 0.855 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858984441 AJKLADVCMDLABD-UHFFFAOYSA-N 464.456 0.982 5 10 JCBE COCCNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859568053 OTWXYXXAIVPVON-UHFFFAOYSA-N 490.494 0.474 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)CC1 2330634987 KYVOTNRZHWHNHB-KRWDZBQOSA-N 461.475 0.705 5 10 JCBE CCn1cc(C(=O)Nc2ccc(CC(=O)N3CCN(CCO)CC3)cc2[N+](=O)[O-])ccc1=O 1860828820 RLKAPIJNLKJLGD-UHFFFAOYSA-N 457.487 0.708 5 10 JCBE CC(C)CNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865720748 VUFKVVZRZNRYHQ-OAHLLOKOSA-N 487.469 0.230 5 10 JCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 1866893202 PDXZJIOTJLSINA-ZDUSSCGKSA-N 467.456 0.745 5 10 JCBE C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1871928034 FZIOIOFEIDKZTI-LLVKDONJSA-N 450.429 0.827 5 10 JCBE O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 2327470662 IPFGTECAULGTIU-UHFFFAOYSA-N 471.474 0.206 5 10 JCBE CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858308995 MBRKXOXNUDFEKJ-AWEZNQCLSA-N 460.534 0.146 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccco1)=C(N)O2 1865717103 OXTJSWDJSHUUCT-CQSZACIVSA-N 453.411 0.596 5 10 JCBE CCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865719388 XDBOBTYCYNPIPS-AWEZNQCLSA-N 459.459 0.699 5 10 JCBE CN1CCN(c2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2331276450 YGSIOEGXGSJUEJ-QGZVFWFLSA-N 475.531 0.950 5 10 JCBE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865584157 HBLLURNESZGFQI-QGZVFWFLSA-N 459.459 0.943 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NC[C@@H](C)O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645355 KFXPJCMTBUQZKM-CYBMUJFWSA-N 460.495 0.747 5 10 JCBE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867817079 XGJHGWRJQUSLOI-CQSZACIVSA-N 467.435 0.505 5 10 JCBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(=NCCN3C(=O)CSC3=O)[nH]2)cc1 1871302735 SUGJJHCMBYLDGU-UHFFFAOYSA-N 453.462 0.305 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520947 QTDYSUKPEFDHGF-UHFFFAOYSA-N 476.494 0.067 5 10 JCBE COCCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863588770 NINRKBDFCKTGDG-UHFFFAOYSA-N 460.468 0.758 5 10 JCBE CCCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CC(O)C1)=C(N)O2 1865586463 QPVLZWWRGYYROE-KRWDZBQOSA-N 471.470 0.950 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871707303 JPRFIXJJKRBZMY-OAHLLOKOSA-N 472.506 0.668 5 10 JCBE CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872631102 WWPKOYWFQVHLMI-UHFFFAOYSA-N 470.529 0.658 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)nc2O)C1 2328057998 BORBSWRJLWXGOJ-KRWDZBQOSA-N 455.475 0.933 5 10 JCBE CCNC(=O)COc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870973912 RFFNBIVSJGVAIG-UHFFFAOYSA-N 464.475 0.901 5 10 JCBE O=C1CSC(=O)N1CCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519080 IHOHXOAIPOBIRP-UHFFFAOYSA-N 474.503 0.436 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1873696116 RYZRCLIIFOVHAF-CYBMUJFWSA-N 497.439 0.615 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 1690866433 RLJSQEQGWAOXPN-INIZCTEOSA-N 470.534 0.684 5 10 JCBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858333475 HXDBOFALWMOWSW-LLVKDONJSA-N 467.485 0.918 5 10 JCBE CN(C[C@@H](O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccs1 1868050898 WSUQPDWLVFELNA-LBPRGKRZSA-N 482.496 0.050 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(C(N)=O)CC3)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870066163 DUFNKJWYLWNYMJ-HNNXBMFYSA-N 491.530 0.230 5 10 JCBE COc1ccc(CN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1OC 1871518961 BXTJBVBXAPYOKI-UHFFFAOYSA-N 485.501 0.788 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871707828 RIZAECBOORCGCO-UHFFFAOYSA-N 465.511 0.131 5 10 JCBE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)CC2)cc1 1890908114 JCXSPEOUYJDUHD-UHFFFAOYSA-N 468.474 0.626 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](CC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037545240 HXSPSFUNWCZTGO-KSYRLKCISA-N 468.415 0.617 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)(=O)CC2)CC1 1596282602 PAEIWHHGZFDFTP-UHFFFAOYSA-N 477.547 0.252 5 10 JCBE NC(=O)c1ccccc1NC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860880072 SFOXAQVGLYPPFL-UHFFFAOYSA-N 451.399 0.830 5 10 JCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 1865586443 QOPYXZMUWPZAHU-IBGZPJMESA-N 498.496 0.793 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCCC1)=C(N)O2 1865729256 FTLJMSVMFCOODE-INIZCTEOSA-N 499.480 0.471 5 10 JCBE C[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868819569 JVPJXMGLZPZFLA-CVEARBPZSA-N 452.533 0.963 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869445122 UIQZUEUNQHBQGA-LJQANCHMSA-N 461.519 0.496 5 10 JCBE CN(C)[C@H](CN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1)c1ccc(O)cc1 1871521685 QGRBYAPHJLCIMX-LJQANCHMSA-N 466.502 0.969 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 575418414 NAEXCCUZPJWPMZ-LEZSPFLNSA-O 467.926 0.810 5 10 JCBE in-vitro Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865585610 OFCHYSNYTTWXIH-GOSISDBHSA-N 498.496 0.826 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870030476 AFMGMDVJGRBBTQ-LLVKDONJSA-N 458.884 0.880 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871646288 XOARDBUJCWKGGE-UHFFFAOYSA-N 499.576 0.512 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871708627 UNUBMNDPPZJQLT-UHFFFAOYSA-N 496.532 0.776 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)cc2[N+](=O)[O-])CC1 1466302777 MODHOUAFEKJWNQ-IBGZPJMESA-N 459.503 0.773 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CC(O)C1)=C(N)O2 1865584798 GJRQWIBKFKFHBT-INIZCTEOSA-N 457.443 0.560 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Oc2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807355 WYQSTIMIXQVGEZ-OAHLLOKOSA-N 461.427 0.733 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O 504249675 NAEXCCUZPJWPMZ-AUYGFBLUSA-O 467.926 0.810 5 10 JCBE in-vitro CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)C1 1860852129 SKOAPFGDIBRPOR-AWEZNQCLSA-N 472.458 0.894 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867782420 UAPZDWYMIGYRLK-UHFFFAOYSA-N 472.454 0.892 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869952499 FOVDFILUSQVXSE-ZDUSSCGKSA-N 495.474 0.851 5 10 JCBE C[C@H](O)CN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520002 FYCJVWVWECUKCH-AWEZNQCLSA-N 452.479 0.277 5 10 JCBE Cn1cc(C(=O)Nc2ccc(CC(=O)NCCc3nn4cnnc4s3)cc2[N+](=O)[O-])ccc1=O 1860883345 VJMMUJURIOSEME-UHFFFAOYSA-N 482.482 0.946 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806414 JCKUCXBCICWJCC-DOTOQJQBSA-N 463.443 0.561 5 10 JCBE COc1cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)cc4c(=O)oc(c1OC)c2c34 257527444 QXQRDKINPINYFD-YUYTXHOUSA-N 476.390 0.334 5 10 JCBE biogenic O=C1CC[C@@H](N2C(=O)c3cccc(OCC(=O)Nc4ncccc4[N+](=O)[O-])c3C2=O)C(=O)N1 1865838098 QNYLODAVCJLFMW-GFCCVEGCSA-N 453.367 0.409 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821892 QPCYCMYZDNEHSJ-MRXNPFEDSA-N 484.425 0.465 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871707292 JHHYZRHKMZCWAV-MRXNPFEDSA-N 474.522 0.081 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867805209 COBMFWYUZSTFNW-OAHLLOKOSA-N 481.483 0.293 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869960703 CUHAWAVMHSJBAI-OAHLLOKOSA-N 463.520 0.858 5 10 JCBE Cn1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O 1891684194 LRUGMMPNZHDAAE-UHFFFAOYSA-N 457.896 0.593 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2O)CC1 1860846301 MTCIMRKLGUYOAG-XBXARRHUSA-N 469.458 0.761 5 10 JCBE CCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865719389 XDBOBTYCYNPIPS-CQSZACIVSA-N 459.459 0.699 5 10 JCBE CC[C@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867786401 WGZKNTQNWHYVOI-QFIPXVFZSA-N 477.518 0.889 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867359989 GSVPXDVWPBJGTD-SFTDATJTSA-N 456.499 0.745 5 10 JCBE CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 1083817487 HANQNSOXWBEEGZ-DEPCRRQNSA-N 468.415 0.630 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865739381 MKSNUOWCWHNZBH-INIZCTEOSA-N 484.513 0.239 5 10 JCBE O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCN1CCN(CCO)CC1 1866024876 GLJLGODHFMCOBC-UHFFFAOYSA-N 475.546 0.867 5 10 JCBE Cc1nc(CCNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cs1 1867791404 DINWECLFXBNJAJ-INIZCTEOSA-N 463.516 0.646 5 10 JCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869793458 OWXYHBZNVYOWFD-INIZCTEOSA-N 460.451 0.797 5 10 JCBE C[C@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870398105 IDPIQNYEUNTOMG-HNNXBMFYSA-N 487.513 0.852 5 10 JCBE COc1ccc(N=c2nc(N3CCN(C(C)=O)CC3)[nH]c(N3CCN(C(C)=O)CC3)n2)c([N+](=O)[O-])c1 1871734778 CRODQYPCYBYHJX-UHFFFAOYSA-N 499.532 0.291 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 44170378 HANQNSOXWBEEGZ-OUUBHVDSSA-N 468.415 0.630 5 10 JCBE in-vitro CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cc2[N+](=O)[O-])CC1 1515123136 CLHRALGOJIRZAS-UHFFFAOYSA-N 455.475 0.486 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821191 KJYMPDLPBRJSOJ-SJLPKXTDSA-N 462.415 0.761 5 10 JCBE O=C(OCn1nnc2ccccc2c1=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 14359377 UTBMDKUBVJRFMN-MLGOLLRUSA-N 475.439 0.025 5 10 JCBE Cn1c(N)c(NC(=O)c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c(=O)n(C)c1=O 39125180 LVGAMFWVKXYEFM-UHFFFAOYSA-N 475.439 0.594 5 10 JCBE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858333573 JQSXMQKJROSYJM-CYBMUJFWSA-N 458.452 0.770 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867845907 LEUNIWRLFRPSIW-HNNXBMFYSA-N 480.455 0.492 5 10 JCBE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(=O)N(C)C)C[C@H]2C)CC1 1690863510 FYHCHAMMTCQETJ-UZLBHIALSA-N 484.561 0.930 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867797321 YRGXPPASPDLTAF-HIFRSBDPSA-N 456.521 0.083 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCc2ccc3nccnc3c2)c([N+](=O)[O-])cc1OC 1867806782 NBBMOTGSHQZIDQ-INIZCTEOSA-N 455.427 0.962 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619631 RBFLLKPMBGYNJX-UHFFFAOYSA-N 485.593 0.816 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871706697 AMZHJYYULSANSJ-MRXNPFEDSA-N 472.506 0.635 5 10 JCBE CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1 2313738947 ALKFWTXSHBUHHI-MJGOQNOKSA-N 474.470 0.511 5 10 JCBE COCCNC(=O)COc1cn(CCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870967107 LBOQTJLVAKAZBR-UHFFFAOYSA-N 464.475 0.901 5 10 JCBE CNC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871016071 OMZXMKVPTLRISP-UHFFFAOYSA-N 475.502 0.834 5 10 JCBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632179 LFJATESIEWOBQB-LBPRGKRZSA-N 456.502 0.268 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864895953 WSMPWMGJJPVLJT-QLJPJBMISA-N 459.459 0.854 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865721499 UDDQTRPYDZCZBO-MRXNPFEDSA-N 486.529 0.535 5 10 JCBE CCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867786891 XSMSXHWWNIZXAC-MRXNPFEDSA-N 477.518 0.889 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871644439 SYYIWIJCNSWTOC-UHFFFAOYSA-N 458.523 0.381 5 10 JCBE NC(=O)CSc1nnc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)s1 59790113 SQFTYSKAQNWFDN-UHFFFAOYSA-N 467.518 0.727 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721103 JKYZOCYBAZSMMF-QGZVFWFLSA-N 498.540 0.679 5 10 JCBE Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 1867911854 NHRMJYZGRINUFD-MRXNPFEDSA-N 459.846 0.902 5 10 JCBE Cc1nnc2ccc(OC[C@@H]3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)C3)nn12 1891685674 FVKDKUHRNQKHTR-CYBMUJFWSA-N 465.426 0.864 5 10 JCBE CN(C)CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863594531 WIYHODANYYZFIU-UHFFFAOYSA-N 487.538 0.716 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833402 LHDAAWRFTWZPGY-IRXDYDNUSA-N 450.379 0.973 5 10 JCBE CCN(CC)CCNC(=O)COc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872686571 RBZSQUKONRTLBQ-UHFFFAOYSA-N 475.506 0.777 5 10 JCBE CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 9343532 CPXWWHGEZXLBIT-UHFFFAOYSA-N 470.485 0.727 5 10 JCBE CCCCN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1869992126 WJJYOZFCBJUMGM-INIZCTEOSA-N 466.520 0.819 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)O)cc2)ccc1[N+](=O)[O-] 1858648688 IVMFCSRLRSARIZ-NSHDSACASA-N 480.455 0.994 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCCCN1[C@@H]1C(=O)CSC1=O 1866022814 NUMPVHRUESGIRA-RHSMWYFYSA-N 460.468 0.720 5 10 JCBE CCN1CCN(c2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 606629741 GGUVDIMZYLPOKG-HNNXBMFYSA-N 473.490 0.326 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 1596282142 DJABAMSSXQFGBF-INIZCTEOSA-N 470.534 0.684 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)c3ccncc3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860902105 QAQLJXLUEDAHRT-UHFFFAOYSA-N 468.514 0.702 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736155 JQGQIVBSMOOXGU-ABAIWWIYSA-N 471.470 0.651 5 10 JCBE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 2053515660 DZUSNOPVGIMEFW-IFMALSPDSA-N 491.522 0.840 5 10 JCBE CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1470037515 NRVZTAXTHVHOMI-INIZCTEOSA-N 453.521 0.869 5 10 JCBE CCc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1867832848 HGLMSYFSDJLNPR-KRWDZBQOSA-N 460.399 0.878 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870067208 TVCZAMXFZJLRMU-ZDUSSCGKSA-N 477.503 0.500 5 10 JCBE CNC(=O)COc1cn(CCNC(C)=O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870571782 NUXHNNYLZFPXIR-UHFFFAOYSA-N 486.529 0.340 5 10 JCBE Cn1nccc1-c1cncc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1 1892017209 LVUYLHJEYCPHNK-UHFFFAOYSA-N 476.453 0.730 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccccn1)=C(N)O2 1865716617 DUPMEGVLWAMUFP-OAHLLOKOSA-N 480.437 0.104 5 10 JCBE CN(C)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865718870 QFFOWOLVEUDDJQ-AWEZNQCLSA-N 492.920 0.408 5 10 JCBE C[C@@H]1CCn2cc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)nc2C1 1867795758 PSZBUXXOLZMDSE-PBHICJAKSA-N 458.519 0.889 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1706002419 CZVLCSAEGRCWLR-MRXNPFEDSA-N 470.534 0.684 5 10 JCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)O 1858646720 FIORXUZMGCDGDK-NSHDSACASA-N 450.429 0.986 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1870003084 ALUIBKFEEFQHAG-SNVBAGLBSA-N 456.868 0.633 5 10 JCBE O=C(Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O)Nc1nccs1 1870104134 SBMPAVDIYSBPFF-UHFFFAOYSA-N 470.427 0.906 5 10 JCBE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc5nncn5n4)CC3)CC2=O)cc1[N+](=O)[O-] 1872992779 KVOWTXIHEURRFJ-AWEZNQCLSA-N 466.458 0.743 5 10 JCBE COC(=O)[C@H]1O[C@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2333320759 MHAQOFAFDHVKQE-JGLNRKDHSA-N 483.382 0.479 5 10 JCBE O=C(O)CNC(=O)CNC(=O)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858888322 TXQLQMAKWSPLFM-UHFFFAOYSA-N 475.370 0.722 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3CCOCC3)[nH]2)ccc1Cl 1871575958 YHNCTVHTTJJXHH-UHFFFAOYSA-N 478.941 0.726 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCN(C)C)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871577902 GWDIAJIDXSUQSH-UHFFFAOYSA-N 463.930 0.663 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1873017662 XZTJIRSFBZRBPA-SFHVURJKSA-N 472.546 0.174 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1870003083 ALUIBKFEEFQHAG-JTQLQIEISA-N 456.868 0.633 5 10 JCBE COCCn1nnc2ccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2c1=O 1873733930 DRVOSFXIRMLGOZ-UHFFFAOYSA-N 452.383 0.581 5 10 JCBE C[C@H]1CN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)C[C@@H](C)O1 1869935394 JVWPDJMZULMESK-TXEJJXNPSA-N 457.447 0.962 5 10 JCBE CN(CCO)c1nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870030510 AOTWRLBXIZJWAK-LLVKDONJSA-N 458.884 0.880 5 10 JCBE NS(=O)(=O)c1ccc(NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1 170543075 CVWIIBREWZBXRM-UHFFFAOYSA-N 470.529 0.918 5 10 JCBE CN(C[C@H](O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1868046352 SAVTZIXTCHTYJH-QGZVFWFLSA-N 478.527 0.843 5 10 JCBE CN(C)CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870590574 YENGDMGQVWSKEU-UHFFFAOYSA-N 492.529 0.550 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCCN3CCOCC3)[nH]2)c1 1871521203 WDMQHKGEDOJKIO-UHFFFAOYSA-N 472.550 0.710 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1873696283 WJMAPYNESYTWHS-CQSZACIVSA-N 479.449 0.476 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867348034 HQPJSOKYGDAKOG-INIZCTEOSA-N 484.918 0.776 5 10 JCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCC[C@@H](O)CN1CCCCC1 1867782901 XQQYZMXXVGXDAA-IEBWSBKVSA-N 477.562 0.903 5 10 JCBE O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(CCOCCO)cc1OCCO 1870370387 QYAUKLDZWGRASE-UHFFFAOYSA-N 462.503 0.459 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871577997 LBHUIDGPRHHQIB-UHFFFAOYSA-N 480.913 0.143 5 10 JCBE CN(C)CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578202 UHIKPTGTAVYPDH-UHFFFAOYSA-N 463.930 0.696 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc2O)CC1 1860887869 GOHGYAFBYLTFLM-UHFFFAOYSA-N 457.447 0.669 5 10 JCBE NS(=O)(=O)c1ccc(CCNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCO)C2=O)cc1 1863593298 TXKYPRBUPKOGCR-UHFFFAOYSA-N 474.495 0.537 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCOCC1)=C(N)O2 1865726187 UEZWPELGNNRXTG-CYBMUJFWSA-N 477.861 0.199 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865726385 WUFVTSNRCIWZEN-INIZCTEOSA-N 484.513 0.239 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867872974 HJFBJVGAOUTEQN-AWEZNQCLSA-N 484.918 0.776 5 10 JCBE CCN1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870043640 AVAYDJZYYHVKCL-INIZCTEOSA-N 477.547 0.670 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCNC(C)=O 1870398036 DYLGUYBRJHPNRN-UHFFFAOYSA-N 475.502 0.724 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871707805 CDIOSKJLOSKEBT-UHFFFAOYSA-N 455.479 0.911 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865620721 TYXHHLLACDSVAL-QGZVFWFLSA-N 458.475 0.173 5 10 JCBE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865727641 XCJRUYYIBQSEPG-MEBBXXQBSA-N 487.469 0.373 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COc2ccccc2O1 1861123628 KIRAEVTUVKLQTC-PIIXRYACSA-N 454.439 0.924 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H](O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793472 SFTPMBLCPQNAII-PBHICJAKSA-N 464.500 0.433 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871646156 VMYPTIRVJZYUPS-CQSZACIVSA-N 466.506 0.585 5 10 JCBE O=C([C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 1892243547 QWIGAAUHUCHBCX-VQIMIIECSA-N 480.543 0.845 5 10 JCBE COCCNC(=O)COc1cn(CCNC(C)=O)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870969739 WVTBCBBWHSEGLC-UHFFFAOYSA-N 461.475 0.646 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCN3CCOCC3)[nH]2)c1 1871517919 JFDNJDRQOTZBBG-UHFFFAOYSA-N 486.533 0.455 5 10 JCBE CN(C)CCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521142 SLGFSOFYSYFIRN-UHFFFAOYSA-N 479.549 0.847 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871644224 QPWZCIVDIWPTLL-UHFFFAOYSA-N 457.539 0.172 5 10 JCBE O=C1CN(C(=O)c2cccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CCN1 1873733569 LTOWSSMEYOZNLU-UHFFFAOYSA-N 451.395 0.402 5 10 JCBE CC(=O)NCc1nnc2sc(CCCNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1874794542 YKGKOYZLFCNWDF-UHFFFAOYSA-N 488.530 0.929 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867791747 GSVPSVYVMKRRMZ-WIYYLYMNSA-N 488.497 0.381 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCN1CCOCC1)[C@H]2c1ccc(O)c([N+](=O)[O-])c1 1864947089 QBPPTAVWEWWXRZ-SFHVURJKSA-N 472.502 0.968 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795746 PLTJJFFEOKKCOV-AWEZNQCLSA-N 460.443 0.482 5 10 JCBE CCN=c1[nH]c(C)cc(=NCCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]1 1891688506 VBYXAMRQWYYMRK-GOSISDBHSA-N 491.574 0.740 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] 1859322653 FDEQGNUZYBLLBP-KRWDZBQOSA-N 455.537 0.833 5 10 JCBE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867357908 NUVHHYPGTSUPHD-PBHICJAKSA-N 464.500 0.511 5 10 JCBE CCN1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871705999 NLZSBMUCYFSSEX-UHFFFAOYSA-N 499.576 0.942 5 10 JCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)NC(=O)N=c2nc[nH][nH]2)cc1 2325748657 UPSGMRMLTNTUOJ-UHFFFAOYSA-N 471.455 0.975 5 10 JCBE CCC[C@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861882031 WNUPJCJNKXYXEK-SFHVURJKSA-N 469.564 0.858 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CSc3nnnn3C)cc2=O)c([N+](=O)[O-])c1 1870195222 QCQQTWHRIKLAHU-UHFFFAOYSA-N 491.486 0.591 5 10 JCBE CN(C)CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520397 GWGJPRCZQWMMSZ-UHFFFAOYSA-N 465.522 0.457 5 10 JCBE CN1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2331273495 HMLDPJCZQUEZTM-QGZVFWFLSA-N 475.531 0.950 5 10 JCBE NC(=O)CC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330632747 KKIVBMTYBAOFKA-SFHVURJKSA-N 489.510 0.322 5 10 JCBE CN1CCN([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867799350 BQBAHSVOMJUXDB-OFNKIYASSA-N 498.584 0.856 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1869959625 XLZKWJIRGRCPTI-LBPRGKRZSA-N 488.910 0.243 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCN(C)CC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869960800 GMPLOJJRAKKYGN-OAHLLOKOSA-N 463.520 0.280 5 10 JCBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)CCn1c2ccccc2c2nc3ccccc3nc21 170567276 WPKQXJPPVXJYSN-YDLSIGKMSA-N 468.510 0.022 5 10 JCBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860797 PLYMQBYAIXFGTM-HNNXBMFYSA-N 450.473 0.389 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11024167 HANQNSOXWBEEGZ-OMQSBVIBSA-N 468.415 0.630 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1463090171 FXPGIJJERHSSHJ-MRXNPFEDSA-N 454.505 0.149 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865730164 OSJCRLFETRNWNJ-HNNXBMFYSA-N 487.469 0.098 5 10 JCBE COc1ccc(N=c2[nH]c(=NCCc3cnc[nH]3)[nH]c(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871464393 GLEJZOXXCXGLCS-UHFFFAOYSA-N 465.478 0.553 5 10 JCBE O=C(CCn1c2ccccc2c2nc3ccccc3nc21)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O 243229980 KMIXRIRTDLLPLJ-VUFOIJLHSA-N 452.467 0.044 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 616584611 AGWYHLDAEVAMEC-MFPFFRNPSA-N 496.425 0.408 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccccc3)[nH]2)cc1[N+](=O)[O-] 1871706739 CNBFHADIGJSNRG-UHFFFAOYSA-N 455.475 0.779 5 10 JCBE CN([C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858198481 UFUYMYWNRAYQLG-SJORKVTESA-N 474.538 0.855 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795258 GLUVBZSQLUJUDE-GOSISDBHSA-N 499.524 0.797 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc1[N+](=O)[O-] 1867797027 XDMNYTHKXMYFLH-HNNXBMFYSA-N 456.459 0.623 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC 1867805116 AEQQCEBXRBYIMR-KRWDZBQOSA-N 486.481 0.404 5 10 JCBE NS(=O)(=O)c1ccc(CCN2C(=O)C(NCCCO)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863594204 HGWOUPVLZCMGRH-UHFFFAOYSA-N 474.495 0.537 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCCC1)=C(N)O2 1865718651 NKWSPSBLPAJFNK-CQSZACIVSA-N 457.443 0.451 5 10 JCBE Cc1cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867862452 LCPZRSBKPIBVSV-AWEZNQCLSA-N 470.529 0.492 5 10 JCBE Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 1867884361 VAMJIHQAILTWQV-OAHLLOKOSA-N 459.846 0.902 5 10 JCBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCCN3CCCC3)[nH]2)cc1[N+](=O)[O-] 1871708634 UWZNSACTOBGBBB-UHFFFAOYSA-N 458.523 0.845 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865734711 OWIOUQOBRKKGRE-BBRMVZONSA-N 485.497 0.450 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867845604 IZOSRXYLUMPPRS-JKSUJKDBSA-N 467.479 0.255 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCC1)=C(N)O2 1865730288 OYPKYFIHPFABEG-HNNXBMFYSA-N 485.453 0.080 5 10 JCBE O=C1CC[C@@H](N2C(=O)c3cccc(OCC(=O)Nc4ccc([N+](=O)[O-])cn4)c3C2=O)C(=O)N1 1865837883 IHRRCROXKUMGLV-GFCCVEGCSA-N 453.367 0.409 5 10 JCBE COc1ccc(-n2nncc2C(=O)N[C@@H](CO)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1866925333 ATYJXYZEGHTEES-INIZCTEOSA-N 456.415 0.922 5 10 JCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869783059 HCONDFFKGCOACG-HNNXBMFYSA-N 476.490 0.778 5 10 JCBE COCCN(CCOC)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870079673 UTSKLBMSYXJLKB-MRXNPFEDSA-N 496.546 0.628 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621904 VCLCDCRHVQFYMY-UHFFFAOYSA-N 457.539 0.605 5 10 JCBE O=C(c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCO[C@H](C(=O)N2CCOCC2)C1 1892063793 VGOYKMJIOHPNSP-IBGZPJMESA-N 456.455 0.505 5 10 JCBE CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(CCO)CC2)C1 59422424 YPVGNRPVZCQLFV-SFHVURJKSA-N 497.618 0.978 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1865714917 UPYZSGHZKXCWLE-QGZVFWFLSA-N 493.476 0.751 5 10 JCBE COc1ccc(OC)c(N=c2[nH]c(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c(N)c2[N+](=O)[O-])c1 1871315224 LGORNMMXQAXCFV-UHFFFAOYSA-N 489.514 0.874 5 10 JCBE C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2 238808767 APKFDSVGJQXUKY-OVCYFVGWSA-N 924.091 0.712 5 10 JCBE O=C1C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCN1CCOCC1 1863597991 VNKDPLBSEPVIFZ-UHFFFAOYSA-N 473.530 0.319 5 10 JCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 1867359992 GUNMRJRTECJDEI-HTAPYJJXSA-N 459.455 0.653 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833446 LVNGCILUMTWDSN-AWEZNQCLSA-N 485.475 0.150 5 10 JCBE CN(C)CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870668536 ZUZPITSXYWEXGD-UHFFFAOYSA-N 458.519 0.504 5 10 JCBE O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858300994 SBKGMSKQWQLHPN-CYBMUJFWSA-N 458.452 0.770 5 10 JCBE O=C(CCc1nnc(NC(=O)c2cnccn2)nc1O)NCCNc1ccccc1[N+](=O)[O-] 1859308733 YOPMLWBRPFBPSH-UHFFFAOYSA-N 453.419 0.689 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865736780 GRTUNAXRRCSUAX-INIZCTEOSA-N 484.513 0.241 5 10 JCBE CN1CCN([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 1867360878 PZEIKPHCSFKEFC-LEWJYISDSA-N 455.515 0.790 5 10 JCBE CCN(CCO)c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870051184 CVUDWMXNKCIKMJ-AWEZNQCLSA-N 452.493 0.546 5 10 JCBE C[C@H]1CN(c2nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c(N)c2[N+](=O)[O-])C[C@H](C)O1 1871314581 AGCIGJAESNOPIE-RYUDHWBXSA-N 451.509 0.305 5 10 JCBE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCN(C)C)CC3)CC2=O)cc1[N+](=O)[O-] 1872942686 CZLVQNNYLDMRGW-MRXNPFEDSA-N 461.519 0.873 5 10 JCBE O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 25435902 VAQPYXQMASRLCP-CXAGYDPISA-N 489.462 0.558 5 10 JCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)O 1858645826 UNPJZCUFDHUVNY-JTQLQIEISA-N 495.426 0.894 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC 1867806060 HENRGMLAHXJMKI-RDJZCZTQSA-N 461.471 0.985 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820150 BIDYAVFMSZRHFF-IFXJQAMLSA-N 499.480 0.992 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867849348 SCMBZUKVISZYGQ-HNNXBMFYSA-N 459.415 0.965 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CC)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619599 PXLZZPZEHJCBOW-UHFFFAOYSA-N 485.593 0.816 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1871034814 GQSMMQHYNIUEFD-UHFFFAOYSA-N 473.486 0.742 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)Cc3ccccc3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705512 MSNMEBNHVUCPGP-UHFFFAOYSA-N 499.528 0.796 5 10 JCBE COc1ccc(N=c2nc(N3CCC(C(N)=O)CC3)[nH]c(N3CCC(C(N)=O)CC3)n2)c([N+](=O)[O-])c1 1871735246 WVXNZOFQHJQTQW-UHFFFAOYSA-N 499.532 0.357 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NCCCN3CCCS3(=O)=O)cc2[N+](=O)[O-])CC1 608778481 HIXYDFDWPRXKCJ-UHFFFAOYSA-N 453.521 0.419 5 10 JCBE COCCNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1859567924 HLFJYNJXVYGDRC-UHFFFAOYSA-N 462.440 0.754 5 10 JCBE CCN(CC)CCNC(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(N(CCO)CCO)n2)cc1 1871310115 LEBUXORWBBYYGW-UHFFFAOYSA-N 461.523 0.991 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCO)[nH]c(=Nc3ccc(CC)c([N+](=O)[O-])c3)[nH]2)CC1 1871620963 GQBOWJRAWXRWSV-UHFFFAOYSA-N 460.495 0.612 5 10 JCBE O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)c2cccc([N+](=O)[O-])c2)CC1 47164369 JYAOBQSNIDBWNN-UHFFFAOYSA-N 474.451 0.848 5 10 JCBE CC(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(C)C)CC1 1869752834 CDARRXLXRXFCAW-OAQYLSRUSA-N 475.546 0.919 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867798534 TULRYAXIUOJVKR-GUYCJALGSA-N 457.487 0.958 5 10 JCBE COCCN(CCOC)c1nc(=NCCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576386 QBKJLAAGNABPRX-UHFFFAOYSA-N 455.903 0.914 5 10 JCBE O=C([C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1)N1CCOCC1 1892108588 ZPQKEZFPMDVIIP-ZDUSSCGKSA-N 453.395 0.862 5 10 JCBE COc1ccc(C(=O)NCc2ccc(OC(=O)NCC(=O)NCC(=O)O)cc2)cc1[N+](=O)[O-] 1858886743 URGOJVSRDZKFEP-UHFFFAOYSA-N 460.399 0.823 5 10 JCBE O=C1C(NCCc2cnc[nH]2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCN1CCOCC1 1863594796 HXTLKEXRDFQOLX-UHFFFAOYSA-N 454.487 0.952 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCCC[C@@H]1CCS(=O)(=O)C1 1867782303 SSHGHOOMHORIOE-OAHLLOKOSA-N 468.532 0.492 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869947273 XTTAPRKXUCJUKJ-MRXNPFEDSA-N 491.530 0.396 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N(C)CCO)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870029542 OLJFSRRQDQGSMD-GFCCVEGCSA-N 483.463 0.443 5 10 JCBE O=c1cc(CN2CCN(CCO)CC2)n(CCOCCO)cc1OCc1ccc([N+](=O)[O-])cc1 1870685651 XPWCXUXKRSRLMP-UHFFFAOYSA-N 476.530 0.454 5 10 JCBE C[C@@H]1CN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)C[C@@H](C)O1 1869935395 JVWPDJMZULMESK-VXGBXAGGSA-N 457.447 0.962 5 10 JCBE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858980817 QYVJYNQYPMNCDZ-UHFFFAOYSA-N 476.515 0.889 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793393 QRNZWYYYQMYOLJ-ZFWWWQNUSA-N 467.548 0.534 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 1865733150 UXSUUMNTWPNSAP-TYNCELHUSA-N 471.470 0.323 5 10 JCBE CCOC(=O)N1CCN(c2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C)n2)CC1 1870069767 GCJBMXBHGBJYDZ-UHFFFAOYSA-N 486.445 0.237 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 1861129866 MAUNEHFTAREBCR-UETGSQEOSA-N 454.439 0.924 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 1867794991 BJDSIFHQKXZDRZ-INIZCTEOSA-N 479.515 0.310 5 10 JCBE C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867800649 YWJYLDJJVXXJDB-KXBFYZLASA-N 483.525 0.841 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867847550 DMIWIRPKHCNYIX-QGZVFWFLSA-N 485.453 0.603 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858975633 AOKZVQKVXBFQAU-UHFFFAOYSA-N 450.429 0.640 5 10 JCBE CC(C)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865727872 MMDKSYWQVATVSR-CQSZACIVSA-N 459.459 0.555 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O 575418416 NAEXCCUZPJWPMZ-WCAYHLDQSA-O 467.926 0.810 5 10 JCBE in-vitro CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 1083805613 AGWYHLDAEVAMEC-PWIGDYEPSA-N 496.425 0.408 5 10 JCBE Cc1c(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861784589 FZYMYVYHGQZZHS-UHFFFAOYSA-N 465.444 0.548 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821428 MKEOKHIUBJWESR-OAHLLOKOSA-N 472.414 0.774 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(Oc2cccc(-n3cnnn3)c2)C1 1869909597 QSIBUUHQSTVFTQ-UHFFFAOYSA-N 463.410 0.846 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708510 PLKJXUJTXDPAPD-UHFFFAOYSA-N 488.505 0.267 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCOc1ccccc1)=C(N)O2 1865717922 DDZKXLZYPZJSHE-KRWDZBQOSA-N 493.476 0.882 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccco3)[nH]2)cccc1[N+](=O)[O-] 1871645838 PWFJSPWELVSKSF-UHFFFAOYSA-N 454.491 0.995 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC1 2330595404 YRWFYXAWEIGRNW-QGZVFWFLSA-N 461.475 0.705 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860843516 WHFSTRQZOBJSBR-UHFFFAOYSA-N 457.487 0.900 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860866364 DMKNWUSWKKGZLX-HXUWFJFHSA-N 461.519 0.173 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865737822 QEPYEUUGIZUDPT-OAHLLOKOSA-N 473.486 0.308 5 10 JCBE NC(=O)C1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCCO)CC1 1870398062 GIBNGICGYDHMMK-UHFFFAOYSA-N 487.513 0.854 5 10 JCBE COc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1-n1nnnc1-n1cccn1 1873754209 CMWIIBSCAKYGSG-UHFFFAOYSA-N 489.408 1.000 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 1865731958 CGPUNGSUPRBAFZ-JMSVASOKSA-N 471.470 0.323 5 10 JCBE COc1cc(C(=O)NCc2ccc(OC(=O)NCC(=O)NCC(=O)O)cc2)ccc1[N+](=O)[O-] 1858889872 YJEXNKOXBDWIOW-UHFFFAOYSA-N 460.399 0.823 5 10 JCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)ccc1[N+](=O)[O-] 1858999661 LQNCLYYKIRORTB-UHFFFAOYSA-N 489.470 0.626 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1869927259 WPTRNEGWPRPJFY-UHFFFAOYSA-N 497.489 0.874 5 10 JCBE Cn1cc(N2CCC(NC(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)CC2)c(=O)n(C)c1=O 1891435600 OLFXUKGUVHOBLX-UHFFFAOYSA-N 494.508 0.601 5 10 JCBE O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCOCC3)[C@@H]2C1)N1CCCC1 35870841 HBXGKLCOUCLBNI-CTNGQTDRSA-N 457.531 0.739 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)c1 1858976723 CNCKSDKXXKPRQF-UHFFFAOYSA-N 480.455 0.648 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788570 HTSLWQZENDQATG-QGZVFWFLSA-N 486.481 0.552 5 10 JCBE COCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706983 DYKSOMRCYIBZCP-UHFFFAOYSA-N 482.505 0.551 5 10 JCBE O=C(CNC(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1873837317 OJBLIUHYOHOUFH-UHFFFAOYSA-N 454.491 0.565 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865734679 OGHSOUJWLAFNLU-HNNXBMFYSA-N 455.471 0.945 5 10 JCBE O=C(O)CN(C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)[C@H]1CS(=O)(=O)C[C@@H]1O 1866313319 MHOBFSJYVGDGKW-IRXDYDNUSA-N 461.448 0.396 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821189 KJYMPDLPBRJSOJ-FUHWJXTLSA-N 462.415 0.761 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821891 QPCYCMYZDNEHSJ-INIZCTEOSA-N 484.425 0.465 5 10 JCBE CCN(CCO)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519071 HUQUSJPSFWXTRJ-UHFFFAOYSA-N 462.492 0.293 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 1083817489 HANQNSOXWBEEGZ-SLHNCBLASA-N 468.415 0.630 5 10 JCBE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)O 1858646719 FIORXUZMGCDGDK-LLVKDONJSA-N 450.429 0.986 5 10 JCBE COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892115832 LVXAUAQFZPRXKI-UHFFFAOYSA-N 478.483 0.993 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 44963992 CTOASCJVNQFYNH-HTBDUDNFSA-N 455.372 0.667 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)ccc21 47164026 ZIBPWGMJWZBHSH-UHFFFAOYSA-N 488.526 0.730 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2037698450 UZMKMTNQYIJXTD-VLQCVTHLSA-N 465.411 0.000 5 10 JCBE COCCN(CCOC)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870078959 LOQPZELWVBSBHO-MRXNPFEDSA-N 482.519 0.319 5 10 JCBE CSCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1872605508 XJIIBCFTGHESFA-KRWDZBQOSA-N 460.578 0.833 5 10 JCBE CS(=O)(=O)N1CCN(C(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1873785604 ZMIJIXMDBBJUSR-UHFFFAOYSA-N 452.489 0.855 5 10 JCBE Cn1nc(N2CCC(CO)CC2)nc1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869981698 YNCNXJDEPXIROG-UHFFFAOYSA-N 471.474 0.947 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccccc3F)[nH]2)cc1[N+](=O)[O-] 1871708471 NSUUNSBMLWHWKZ-UHFFFAOYSA-N 473.465 0.918 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784900 QRJJSCIQDHESFP-DOTOQJQBSA-N 482.559 0.617 5 10 JCBE O=C(CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccccc1 1867792000 HTNFWBWWYNBYDJ-KRWDZBQOSA-N 471.470 0.277 5 10 JCBE CN(C)[C@H](CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867834879 XRKHCRSMOFTCEV-DLBZAZTESA-N 489.441 0.742 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705455 JQQXDTYSYULZKY-UHFFFAOYSA-N 476.538 0.327 5 10 JCBE CSCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1872605509 XJIIBCFTGHESFA-QGZVFWFLSA-N 460.578 0.833 5 10 JCBE Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848263 SIULBXBKEVSUHN-UHFFFAOYSA-N 490.568 0.786 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793390 QRNZWYYYQMYOLJ-DZGCQCFKSA-N 467.548 0.534 5 10 JCBE CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606021 LTZQODWXWOPABC-MRXNPFEDSA-N 456.502 0.616 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253614143 UPRXFWNZWWKSQU-ZQOJQMTGSA-N 455.372 0.667 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2[N+](=O)[O-])CC1 1595925094 IRJIBVNWQXQBJG-SFHVURJKSA-N 459.503 0.773 5 10 JCBE Cc1c(C(=O)N[C@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861784723 HAVPMJVUAKOCGV-LLVKDONJSA-N 465.444 0.894 5 10 JCBE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867357381 HBCQFXYNWUMSMU-IUODEOHRSA-N 470.529 0.572 5 10 JCBE CN(C)C1CCN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870041248 TXCCUBYPVWKSSX-UHFFFAOYSA-N 470.490 0.879 5 10 JCBE O=C(Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O)Nc1ccccn1 1870104066 PPFWVECGNCEROM-UHFFFAOYSA-N 464.398 0.845 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934226 FWBBSLJXCPZDIT-IBGZPJMESA-N 487.557 0.943 5 10 JCBE Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858336197 XIRWYDLLQVVNOZ-GFCCVEGCSA-N 482.496 0.781 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870078716 KFQAJAKNDLSVHF-INIZCTEOSA-N 482.519 0.897 5 10 JCBE CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1 1872984322 WXTAXJARIJKUJC-ABAIWWIYSA-N 452.851 0.881 5 10 JCBE O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCCN1CCOCC1 1873016430 PKFRADJJFHKZIP-OKZBNKHCSA-N 473.530 0.273 5 10 JCBE Cn1c(O)nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1=O 1891289153 WZDGCPKJYJYISB-UHFFFAOYSA-N 463.394 0.924 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CC)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621577 RSOKNAAEYGJCLR-UHFFFAOYSA-N 457.539 0.620 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@H](CS(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1463090166 FXPGIJJERHSSHJ-INIZCTEOSA-N 454.505 0.149 5 10 JCBE NS(=O)(=O)c1ccc(CN2C(=O)C(NCCCO)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863592296 STGYMEWWGOTULM-UHFFFAOYSA-N 460.468 0.494 5 10 JCBE CCN(CCO)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C(C)(C)C)n1 1870048218 IRIKJWTYMPAIDG-UHFFFAOYSA-N 459.463 0.995 5 10 JCBE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2C1=O 1869530280 QPFGCKMVTJTBKO-NSHDSACASA-N 466.406 0.983 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706394 APLIXWWFYKMMBD-OAHLLOKOSA-N 481.517 0.890 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c([N+](=O)[O-])c1 1890704907 CSOJIRBBTBMSIO-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865619309 NJKOHRZIXIBTIQ-QGZVFWFLSA-N 456.503 0.722 5 10 JCBE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867819745 YASRPURACDYEHX-LJQANCHMSA-N 467.435 0.505 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1873696050 QRLQGHZJLBRKLB-HNNXBMFYSA-N 493.476 0.866 5 10 JCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 1866637971 CKBZJVSNHLEIRC-OAHLLOKOSA-N 480.499 0.892 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832458 DFCUBSBWOUHMQE-DLBZAZTESA-N 473.398 0.735 5 10 JCBE CN(C[C@H](O)CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868045448 HQNOGQCKEGIDFT-GFCCVEGCSA-N 496.523 0.440 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870030085 URMIIMZOIWGZDI-NSHDSACASA-N 458.884 0.880 5 10 JCBE CN(C)CCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870398199 MDXUIUQIQAEZSO-UHFFFAOYSA-N 491.545 0.512 5 10 JCBE CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(CCO)CCO 1870696276 CYRKCPCAZTVMQA-UHFFFAOYSA-N 464.475 0.589 5 10 JCBE CNC(=O)COc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871018197 CQMJNDNOFLNXRE-UHFFFAOYSA-N 450.448 0.511 5 10 JCBE CSCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCCN1CCOCC1 1872605453 VKOPPZBWDWKVTG-HNNXBMFYSA-N 460.578 0.833 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCNc2cc(N3CCOCC3)ncn2)cc1[N+](=O)[O-] 585460981 KVEXFNAGJHHRKN-UHFFFAOYSA-N 467.464 0.828 5 10 JCBE NS(=O)(=O)c1ccc(CNC(=S)NCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 586406660 ZXYWECANWGBMAB-UHFFFAOYSA-N 451.530 0.565 5 10 JCBE NC(=O)c1ccc(NC(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)cc1 1860880123 SSNBYIQTKQXPMM-UHFFFAOYSA-N 451.399 0.830 5 10 JCBE Cc1cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867862453 LCPZRSBKPIBVSV-CQSZACIVSA-N 470.529 0.492 5 10 JCBE O=C([C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCCC1 1892246905 QUVHREZMXIWVDG-MOPGFXCFSA-N 480.543 0.988 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC 1867806061 HENRGMLAHXJMKI-WBVHZDCISA-N 461.471 0.985 5 10 JCBE COCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869974733 ARZXJTSGJBDWBZ-MRXNPFEDSA-N 479.519 0.457 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc5nc[nH]c5c4)[nH]3)CC2)cc1 1871627955 XCMSELISCHFAFP-UHFFFAOYSA-N 476.501 0.974 5 10 JCBE C/C(=C\C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CN1CCOCC1 1540789970 AUDSZLUXDDTJBK-DTQAZKPQSA-N 452.533 0.925 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)N3CCN(C(C)=O)CC3)c(O)n2)c1 1860896134 GFLZDJRVCPCFJT-UHFFFAOYSA-N 473.446 0.370 5 10 JCBE COC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)c([N+](=O)[O-])c2)C1 1860908094 PFVKNOUOAHJKGB-HNNXBMFYSA-N 454.505 0.702 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867757363 COOMRXSGROXGQF-LBPRGKRZSA-N 490.947 0.837 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821964 RSURKEPSIUURQJ-MRXNPFEDSA-N 460.399 0.932 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCc2cn3ccsc3n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822373 WCPJPVMXCWKDHL-AWEZNQCLSA-N 462.444 0.970 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCn1c(O)nc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834290 SBOAVNLCAGDAHS-OAHLLOKOSA-N 458.387 0.465 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCc2cn3c(n2)C[C@@H](C)CC3)c([N+](=O)[O-])cc1OC 1867806246 IHLZIOFZXRVSQL-BBRMVZONSA-N 475.502 0.840 5 10 JCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867818928 QHTBUKSVYSCSTP-CYBMUJFWSA-N 453.408 0.115 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccccn3)[nH]2)ccc1Cl 1871577830 CKMDXGSMBSBOTR-UHFFFAOYSA-N 460.882 0.819 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705338 FCNQCDASLUGWSJ-UHFFFAOYSA-N 459.555 0.880 5 10 JCBE COCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229723 KBWNYGKWORGLRO-NFBGWVBBSA-N 450.473 0.389 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)N3CCC[C@@H](CO)C3)c(O)n2)c1 1860846864 YQVWLDOBALRWES-GFCCVEGCSA-N 460.447 0.910 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1870004228 SWNUXLYINYFSIE-JTQLQIEISA-N 456.868 0.633 5 10 JCBE CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O 271776628 PZNCQQDHCDLLGT-JCGVRSQUSA-N 479.490 0.548 5 10 JCBE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 616584630 AGWYHLDAEVAMEC-WVXKDWSHSA-N 496.425 0.408 5 10 JCBE Cc1nnc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2)n1C 1869755960 MBLCMVBHHLUKPZ-UHFFFAOYSA-N 458.523 0.955 5 10 JCBE COCCCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707281 IYYJONHMVUDBDE-UHFFFAOYSA-N 460.495 0.493 5 10 JCBE C[C@@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863594558 XSFFEJGPCYRMNE-CYBMUJFWSA-N 474.495 0.535 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865734936 UHMVNJSSNSGLSQ-OAHLLOKOSA-N 499.480 0.052 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832889 SFIGHLKYENYRDP-APPDUMDISA-N 459.415 0.800 5 10 JCBE CN1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869961768 YVUXWVZHPDJMPW-ZDUSSCGKSA-N 494.490 0.458 5 10 JCBE COCCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708336 ZGLYCHKOUSRZQA-UHFFFAOYSA-N 496.532 0.941 5 10 JCBE Cc1cc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)nc(N2CCOCC2)n1 1891350394 FUUMDZSFEOLASG-UHFFFAOYSA-N 495.496 0.475 5 10 JCBE Cn1cccc(C(=O)Nc2ccc(CC(=O)NCCc3nn4cnnc4s3)cc2[N+](=O)[O-])c1=O 1860858319 PXXQNYQRGTUPKB-UHFFFAOYSA-N 482.482 0.946 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865585469 MZJFZQOUNFDAIU-GOSISDBHSA-N 470.486 0.877 5 10 JCBE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843725 BGLBDJLPQRAKPL-CYBMUJFWSA-N 467.435 0.505 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873779902 JXOZXCFMQYNZHR-UHFFFAOYSA-N 450.415 0.596 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCCC1)=C(N)O2 1865729257 FTLJMSVMFCOODE-MRXNPFEDSA-N 499.480 0.471 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)cc2[N+](=O)[O-])CC1 1439872833 JQKYSFIDPFDJFH-OXJNMPFZSA-N 450.517 0.770 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C1 1865735822 CXEXUZNGWSFFQH-WFASDCNBSA-N 455.471 0.945 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] 1867846200 NEXDCZGCPBDSIN-OAHLLOKOSA-N 484.425 0.465 5 10 JCBE CCN(CCO)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645409 KRVFLRMPWKFUJW-UHFFFAOYSA-N 460.539 0.628 5 10 JCBE O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 169677287 BRFTUGJXUXEXSH-GGAORHGYSA-N 494.552 0.828 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864952407 JEOWDBXWIODFDQ-QGZVFWFLSA-N 472.502 0.739 5 10 JCBE C[C@H](NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867834711 WFOLTMNFNVGLLX-DJJJIMSYSA-N 485.453 0.683 5 10 JCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865585612 OFCHYSNYTTWXIH-SFHVURJKSA-N 498.496 0.826 5 10 JCBE O=C1CN(C(=O)c2cccc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CCN1 1873733363 GBZDDBSCGHELJO-UHFFFAOYSA-N 465.422 0.792 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870066511 JJNDVSOWQBSLRL-OAHLLOKOSA-N 491.530 0.429 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871644516 XFDAMBZQDNPDCV-UHFFFAOYSA-N 485.549 0.121 5 10 JCBE O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC[C@H]1CCCO1 14005569 ZMRTVEMYMPPTHZ-HUUCEWRRSA-N 495.470 0.430 5 10 JCBE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949109 PBCDSOMSEAGHEE-LBPRGKRZSA-N 484.391 1.000 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCCC1)=C(N)O2 1865729276 GAWUBCJLDCJTBP-CYBMUJFWSA-N 461.862 0.963 5 10 JCBE C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1871927857 BFQLDQGGFZLXLI-NSHDSACASA-N 450.429 0.827 5 10 JCBE CN(CCO)c1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 2331851512 IUXMGIYCEIZKND-HNNXBMFYSA-N 450.477 0.626 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)c3cnccn3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860848996 AXNWUBLGIYSLAA-UHFFFAOYSA-N 469.502 0.097 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)c3cccnc3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860851787 UTGOCAYWWSRGEV-UHFFFAOYSA-N 468.514 0.702 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865739576 QMYJPKJQUHGDBQ-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867799799 KZYVVOHEWYSPST-CQSZACIVSA-N 483.547 0.308 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867873369 HYHHEGXXPMUSFN-CQSZACIVSA-N 454.505 0.550 5 10 JCBE CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CCN(CCO)CC1 1870696457 IAKYSCZATOEYGE-UHFFFAOYSA-N 489.529 0.912 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870697040 VFURKHSQMIFLRS-UHFFFAOYSA-N 462.459 0.342 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 1760620233 JPVBATKOHCLPLL-IBGZPJMESA-N 491.574 0.641 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865726386 WUFVTSNRCIWZEN-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871705794 IQKKMJFIZFCYOC-UHFFFAOYSA-N 486.533 0.761 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 1891244233 QJRBLYJCKORCLW-UHFFFAOYSA-N 496.484 0.129 5 10 JCBE O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1 17120952 RMYYPCIAJWYVHZ-LSCFUAHRSA-N 499.398 0.755 5 10 JCBE in-vitro CCN1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519094 IZLZXBXHHXPJQI-UHFFFAOYSA-N 487.546 0.616 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871707291 JHHYZRHKMZCWAV-INIZCTEOSA-N 474.522 0.081 5 10 JCBE CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605966 KKGMJJRUGDWSPS-UHFFFAOYSA-N 456.502 0.616 5 10 JCBE COC(=O)[C@H]1O[C@H](Oc2ccc(CO)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2333320755 GJBOWDPMTQHFJU-JGLNRKDHSA-N 485.398 0.159 5 10 JCBE NC(=O)NCCC[C@]1(C(=O)O)N[C@H](c2ccccn2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 1088616448 UOGLYHYVNRKTSY-WBYLCXCBSA-N 482.453 0.712 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 1861123757 KYVOTNRZHWHNHB-LXXRFIIISA-N 461.475 0.705 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc1[N+](=O)[O-] 1869752186 UIMNLUJBAQGNIY-UHFFFAOYSA-N 460.535 0.547 5 10 JCBE CCc1nnc(CN2CCN(C(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3N)CC2)o1 59789939 PEDPBJHHOLPWBR-UHFFFAOYSA-N 473.519 0.949 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1869958682 FSLSOUACIBESLE-GFCCVEGCSA-N 488.910 0.243 5 10 JCBE C[C@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870397605 LUWSXLFZKGJGBW-KRWDZBQOSA-N 489.529 0.265 5 10 JCBE COCCOC(=O)COc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870906755 LYKMSQMONDECKZ-UHFFFAOYSA-N 495.485 0.955 5 10 JCBE CCN1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645102 GICABXJWSNVNKD-UHFFFAOYSA-N 485.593 0.952 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNS(=O)(=O)c1cccc2nonc12 1873694719 KOCBWRULAFLHSZ-UHFFFAOYSA-N 488.438 0.212 5 10 JCBE COC(=O)Cn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc([N+](=O)[O-])ccc21 101576317 RKJILANNHHNSGB-ISLYRVAYSA-N 456.502 0.883 5 10 JCBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@](=O)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 586312418 JIUCYADCISWRIS-GDLZYMKVSA-N 454.486 0.877 5 10 JCBE O=C(Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O)NC[C@@H]1CCCO1 1870102916 CGGDHLWRPKGFGO-HNNXBMFYSA-N 471.430 0.106 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820609 FJRJHVVNNQLYPW-IUODEOHRSA-N 472.476 0.233 5 10 JCBE CN1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519803 ZGFXBIVFMWGUJG-UHFFFAOYSA-N 473.519 0.226 5 10 JCBE CCn1nnc2c(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)ncnc21 1891626286 ATZNZCZKODWMSB-UHFFFAOYSA-N 465.430 0.094 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COc2ccccc2O1 2330596383 VNFOWQJEPIMLRN-IRXDYDNUSA-N 454.439 0.924 5 10 JCBE CC(=O)Oc1cccc(C(=O)NCCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219939454 XAIICPKRLHXLAR-UHFFFAOYSA-N 454.395 0.662 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC[S@@](C)=O)CC3)cc2[N+](=O)[O-])CC1 1465321084 HSCBUBGKLZQTPX-WJOKGBTCSA-N 451.549 0.400 5 10 JCBE NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861027987 JBWHCNJQOXSYIV-OAHLLOKOSA-N 497.917 0.576 5 10 JCBE O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 2328754484 FYALINWGUUYBMV-UHFFFAOYSA-N 471.474 0.518 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1537225332 CSPMJPXIVGPCAE-HNNXBMFYSA-N 453.521 0.275 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867359987 GSVPXDVWPBJGTD-NHCUHLMSSA-N 456.499 0.745 5 10 JCBE CN(C)C1CCN(c2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C)n2)CC1 1870041255 UAONGZCUIWEMGF-UHFFFAOYSA-N 456.463 0.488 5 10 JCBE COc1cc(C(=O)Nc2nc(N(C)C)nn2[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869964274 LCXLDAISNMVCJB-SNVBAGLBSA-N 454.465 0.881 5 10 JCBE Cn1c(N)c(NC(=O)c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)c(=O)n(C)c1=O 39125181 HTUPYJOTCXKLFY-UHFFFAOYSA-N 475.439 0.594 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 106040625 CTOASCJVNQFYNH-DOEOUOAPSA-N 455.372 0.667 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892115596 FYLRYGKINQUUFC-UHFFFAOYSA-N 478.483 0.993 5 10 JCBE NCCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@@H](O)[C@H]1O 306146757 OAFPVFZXWPVEBS-FJXLLPKBSA-N 461.504 0.658 5 10 JCBE COc1cc(C(=O)NCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] 586406474 WRMLWDPQPHQGLA-UHFFFAOYSA-N 467.529 0.645 5 10 JCBE O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 206338260 CDDRGTOBKZIRQN-KRWDZBQOSA-N 458.427 0.749 5 10 JCBE COCCNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1859472301 PSTHTIBAMCBBAF-UHFFFAOYSA-N 462.440 0.754 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867795320 HURZNDJUFQGLAU-IRXDYDNUSA-N 451.524 0.105 5 10 JCBE O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(CCOCCO)cc1OCCCO 1870359963 QWZCPDGRAFGUIB-UHFFFAOYSA-N 476.530 0.849 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865648559 ZZSAAOYPGAHTAS-QGZVFWFLSA-N 456.503 0.722 5 10 JCBE O=C(N[C@H](CO)C(=O)NCc1ccc2nccnc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788299 FBMYEKFKUAOJDL-LJQANCHMSA-N 480.481 0.782 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cc1[N+](=O)[O-] 1867800324 SYPOAAMXVBJPLE-APWZRJJASA-N 487.513 0.899 5 10 JCBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 487562837 ITBAYIKAAJXEMY-UHFFFAOYSA-N 453.521 0.030 5 10 JCBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCN3CCCC3)[nH]2)cccc1[N+](=O)[O-] 1871645048 KJMXNPKROWIQPH-UHFFFAOYSA-N 474.566 0.755 5 10 JCBE O=C1[C@H]2[C@H](C(=O)N1CCCCO)[C@@](CO)(C(=O)O)N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 247393630 LSBDGNKMOASYKM-SUWCGCSTSA-N 473.438 0.689 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OC(=O)NCC(=O)NCC(=O)O)cc2)c1 1858891585 SGRCSYVVCCHTEV-UHFFFAOYSA-N 460.399 0.823 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865586343 NZJNLNUSWXNWAH-QGZVFWFLSA-N 486.485 0.690 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1cccnc1)=C(N)O2 1865717465 WVWFCUXACOSJMX-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCO 1870697319 ZTZLQFOVQAWWOR-UHFFFAOYSA-N 464.475 0.589 5 10 JCBE CN1CCN(C(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C3)CC2)CC1 1873016819 AJAMTBSHLOYOEX-INIZCTEOSA-N 492.964 0.519 5 10 JCBE Cc1c(C(=O)NCCNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 586404989 JJFSYMGPWAUUIH-UHFFFAOYSA-N 465.557 0.987 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 1861129865 MAUNEHFTAREBCR-MTQIJDFFSA-N 454.439 0.924 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807520 ZXMCCYKJQHDDDP-HOCLYGCPSA-N 488.453 0.844 5 10 JCBE Cn1nc(N2CCC(CO)CC2)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869981389 MWCGXUZFFFZXOH-UHFFFAOYSA-N 457.447 0.557 5 10 JCBE COCCn1nnc2ccc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2c1=O 1873733997 IGCGKUFZCVRJRS-UHFFFAOYSA-N 452.383 0.581 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1867883583 OALRYMANSSPTQQ-MRXNPFEDSA-N 484.918 0.735 5 10 JCBE CNC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870568176 ISOKBBRJYLALDU-UHFFFAOYSA-N 472.546 0.765 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734653 NOMAKUXEGMBUAD-GDBMZVCRSA-N 485.497 0.450 5 10 JCBE CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867801246 JAOUDKDXZRCVCK-CYBMUJFWSA-N 468.463 0.306 5 10 JCBE CC(=O)N1CCN(C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1860846241 QFWPEUVVHVLJAM-UHFFFAOYSA-N 469.520 0.096 5 10 JCBE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865588292 ZPRHRIOVJXIFNA-KRWDZBQOSA-N 472.458 0.436 5 10 JCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] 1867290633 CFALIDFZOWYTPW-GFCCVEGCSA-N 462.381 0.820 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867795318 HURZNDJUFQGLAU-DLBZAZTESA-N 451.524 0.105 5 10 JCBE CC[C@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881270 CWDBTQUNNVUDLU-KRWDZBQOSA-N 455.537 0.468 5 10 JCBE CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865717726 ARGBBSCLZBBJQX-HNNXBMFYSA-N 487.469 0.374 5 10 JCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843973 AIDKNYJUPSFJKW-GFCCVEGCSA-N 453.408 0.115 5 10 JCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCCO)CC1 1870398099 HOCHJLMITOQOJH-UHFFFAOYSA-N 487.513 0.821 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873770764 YJEAIMOIJMNYFL-WBVHZDCISA-N 460.512 0.864 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858646427 SBOQTSHEWFALGS-BJMVGYQFSA-N 462.440 0.997 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732882 SGOKCHPZQSDFBY-HFAKWTLXSA-N 487.469 0.028 5 10 JCBE O=C([C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCOCC1 1892269850 PMLHPTNBGDZFRK-MOPGFXCFSA-N 496.542 0.224 5 10 JCBE CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCN(CCO)CC3)cc2[N+](=O)[O-])CC1 1860902742 ZGGGTQRERPBIKQ-HXUWFJFHSA-N 474.562 0.088 5 10 JCBE NC(=O)CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861123632 KKIVBMTYBAOFKA-QKIXSCASSA-N 489.510 0.322 5 10 JCBE C[C@H]1CN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)C[C@H](C)O1 1871518057 PAFADCVKEMGQDD-HOTGVXAUSA-N 458.523 0.725 5 10 JCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC[C@H]1CCS(=O)(=O)C1 1867782435 UMJLJWZCPMUEJH-CVEARBPZSA-N 482.559 0.881 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 1867800126 QIACZNSPXYMDTR-KRWDZBQOSA-N 464.567 0.284 5 10 JCBE CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869440418 ONCBQLDTVSSRGB-NRFANRHFSA-N 475.546 0.742 5 10 JCBE CC[C@](C)(NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881428 HSZRDQHDZGTDDP-FQEVSTJZSA-N 469.564 0.858 5 10 JCBE CC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867791994 HRGCYEXPPSXERF-JOCHJYFZSA-N 493.517 0.125 5 10 JCBE C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1871928035 FZIOIOFEIDKZTI-NSHDSACASA-N 450.429 0.827 5 10 JCBE CC(=O)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1470037516 NRVZTAXTHVHOMI-MRXNPFEDSA-N 453.521 0.869 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccncc1)=C(N)O2 1865716239 VUAWDAZVIYEGIN-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c([N+](=O)[O-])c1 1890717284 WUZUUCSCRVXPBN-UHFFFAOYSA-N 477.547 0.656 5 10 JCBE O=C(NC(CO)(CO)CO)c1c([N+](=O)[O-])c(O)cc(Sc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 105424832 KWZYGUKAMOSMPF-UHFFFAOYSA-N 484.399 0.714 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784903 QRJJSCIQDHESFP-WBVHZDCISA-N 482.559 0.617 5 10 JCBE CSCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1C(=O)CSC1=O 1872633264 VUQUBBBXJGLVAJ-NSHDSACASA-N 476.558 0.806 5 10 JCBE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ncnc5[nH]cnc45)CC3)CC2=O)cc1[N+](=O)[O-] 1872960333 BUPXFRFCQITUQN-CYBMUJFWSA-N 466.458 0.971 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 2330671215 MAUNEHFTAREBCR-CVEARBPZSA-N 454.439 0.924 5 10 JCBE COCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 47163798 DWRXUBFETOTILZ-UHFFFAOYSA-N 477.499 0.743 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870067206 TVCZAMXFZJLRMU-CYBMUJFWSA-N 477.503 0.500 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705362 GBEXRHKINSEPFP-UHFFFAOYSA-N 474.522 0.693 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccc(CO)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2333320756 GJBOWDPMTQHFJU-PKRADWSKSA-N 485.398 0.159 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 1861129864 MAUNEHFTAREBCR-IGXNXKSNSA-N 454.439 0.924 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC1CCCC1)=C(N)O2 1865718014 FVPLEWLZZMOINY-INIZCTEOSA-N 499.480 0.517 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867796738 WGGXWIJRRLJCOW-SFTDATJTSA-N 499.568 0.811 5 10 JCBE O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NCCS(=O)(=O)Nc1ccccc1 1867822989 NVKKQQRRYURWSC-UHFFFAOYSA-N 451.417 0.791 5 10 JCBE COc1ccc(-n2nncc2C(=O)N[C@H](CO)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 1866926322 QDKPDCDQLITJRB-OAHLLOKOSA-N 456.415 0.922 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc1[N+](=O)[O-] 1867848549 YYIPGFCHCZKGHR-CQSZACIVSA-N 472.414 0.774 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](COc2ccc3nncn3n2)C1 1891680180 MOYSIRRXDJUTCG-GFCCVEGCSA-N 451.399 0.556 5 10 JCBE CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)C1 1860852130 SKOAPFGDIBRPOR-CQSZACIVSA-N 472.458 0.894 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Oc2ccccc2OC)c([N+](=O)[O-])cc1OC 1867807258 VSQCPKKJWOHIGH-CYBMUJFWSA-N 477.426 0.433 5 10 JCBE O=C(COc1cn(CCc2cnc[nH]2)c(CN2CC(O)C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397878 XJUATGMHKFJMIP-UHFFFAOYSA-N 468.470 0.916 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871707207 RARJSMJPMKOFCF-UHFFFAOYSA-N 454.495 0.505 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC 1867805117 AEQQCEBXRBYIMR-QGZVFWFLSA-N 486.481 0.404 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871706088 YWQGDMGAGLWCQK-UHFFFAOYSA-N 491.505 0.140 5 10 JCBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871706375 ZZNXUIYCVDVIIU-UHFFFAOYSA-N 460.495 0.229 5 10 JCBE CCNc1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)CC2)nn1 585488766 ILZKZTYBNZQYSD-UHFFFAOYSA-N 451.465 1.544 5 10 JCBE CS(=O)(=O)N1CCN(c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2[N+](=O)[O-])CC1 1860832966 XKYOWKYLSGTURL-UHFFFAOYSA-N 497.555 0.254 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865721635 XYQIMQZAWRNXIP-MRXNPFEDSA-N 486.529 0.535 5 10 JCBE CN(C[C@@H](O)CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868045449 HQNOGQCKEGIDFT-LBPRGKRZSA-N 496.523 0.440 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 2330671217 MAUNEHFTAREBCR-HZPDHXFCSA-N 454.439 0.924 5 10 JCBE C[N+](C)(C)CCO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1CC[C@H](n2ccc(N)nc2=O)O1 3589815 NZCQWOIOZLKJHJ-DGCLKSJQSA-O 457.337 0.460 5 10 JCBE COC(=O)[C@]1(Oc2ccccc2[N+](=O)[O-])OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 221946324 HLSSJCFOUOMDOX-ZMMAXQRCSA-N 455.372 0.668 5 10 JCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]o1 1869783680 TWCCCRIXJGAWOD-ABAIWWIYSA-N 460.403 0.969 5 10 JCBE Cn1nc(N2CCN(c3ccccn3)CC2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870052461 BHUSACVDZSTTFC-UHFFFAOYSA-N 491.468 0.680 5 10 JCBE CCOCCOC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870100577 HPZFOGPELXWNCL-UHFFFAOYSA-N 460.403 0.391 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871707256 STQHOKFWTKWDCA-UHFFFAOYSA-N 482.505 0.422 5 10 JCBE CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892275333 SDWSWOORZHGODN-GOSISDBHSA-N 488.588 0.926 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1[N+](=O)[O-] 585482474 GBTDKEFSZKMXGG-UHFFFAOYSA-N 493.502 0.949 5 10 JCBE CCOC(=O)C1CCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)CC1 1860851453 GVENLLSSUMERSB-UHFFFAOYSA-N 472.458 0.894 5 10 JCBE CC(=O)NCCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863234753 RWBYWNZIKPXAAD-UHFFFAOYSA-N 473.467 0.570 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 1867800127 QIACZNSPXYMDTR-QGZVFWFLSA-N 464.567 0.284 5 10 JCBE CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870397602 LQVQBHQKARCLDL-UHFFFAOYSA-N 459.503 0.904 5 10 JCBE CN(C)[C@@H](CN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1)c1ccc(O)cc1 1871521809 VSIQAPRQLPCWMP-FQEVSTJZSA-N 498.544 0.579 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)cc2[N+](=O)[O-])CC1 1466302785 MODHOUAFEKJWNQ-LJQANCHMSA-N 459.503 0.773 5 10 JCBE Cc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865620720 TYXHHLLACDSVAL-KRWDZBQOSA-N 458.475 0.173 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865725456 JOPZGCMDPOOYAW-INIZCTEOSA-N 484.513 0.239 5 10 JCBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)CCn1c2ccccc2c2nc3ccccc3nc21 170567275 WPKQXJPPVXJYSN-DHNNRRLOSA-N 468.510 0.022 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858658017 RDFRZNIIRJVBIA-UHFFFAOYSA-N 495.426 0.848 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867870740 BYEJCHVSMROLLM-GOSISDBHSA-N 486.481 0.745 5 10 JCBE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1860742605 JRCRWSJJBMNASZ-UHFFFAOYSA-N 476.471 0.102 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 1865731906 BAPBTOGVQGSQEI-TYNCELHUSA-N 471.470 0.323 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792315 JCBQWFZSNAZIFL-SFHVURJKSA-N 457.487 0.666 5 10 JCBE Cc1nnc(N2CCN(C(=O)CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)n1C 1869741310 PGYKXCUKQKZJHM-UHFFFAOYSA-N 456.507 0.711 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCO)[nH]2)ccc1Cl 1871575996 AIHUAPNNGDARLT-UHFFFAOYSA-N 486.924 0.932 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871617783 OOBNZNKZIFJZDP-UHFFFAOYSA-N 488.549 0.145 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621253 KLZFUNOLGSPNPC-UHFFFAOYSA-N 471.522 0.179 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCCCN2CCOCC2)c([N+](=O)[O-])c1 1872643406 RNRGZRRQKZGMHX-UHFFFAOYSA-N 478.462 0.385 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])c(N3CCOCC3)cc1N1CCOCC1)O2 20101477 HMTGWUIDKYNDOR-SFHVURJKSA-N 459.459 0.147 5 10 JCBE O=C1CCCN1CCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863603309 FGIUFGNSRSNZOB-UHFFFAOYSA-N 485.541 0.999 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821415 MDKSAETVISCWIO-MRXNPFEDSA-N 459.415 0.965 5 10 JCBE CN1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869960899 JYOXLZLWPWREET-OAHLLOKOSA-N 463.520 0.479 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645670 ODAFMMYMZOQCNV-UHFFFAOYSA-N 473.582 0.544 5 10 JCBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@@H](c3ccc(O)cc3)N(C)C)[nH]2)cc1[N+](=O)[O-] 1871708390 KZWLGWMSDZTQEA-IBGZPJMESA-N 496.528 0.977 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1 1891273383 TWDGJVXPVFXAHM-UHFFFAOYSA-N 453.481 0.170 5 10 JCBE CC(=O)NCCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863591403 BLFVEJNGDGHVJM-UHFFFAOYSA-N 487.494 0.248 5 10 JCBE C[C@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863592434 ZLILXCMVUWMNGH-LBPRGKRZSA-N 460.468 0.493 5 10 JCBE COCCN(CCOC)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705717 QRDUKGHHVLCNBR-UHFFFAOYSA-N 464.527 0.449 5 10 JCBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858334887 LGUAWWGSJYVYJW-LLVKDONJSA-N 467.485 0.918 5 10 JCBE COc1cc(C(=O)N[C@@H](C)C(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)c([N+](=O)[O-])cc1OC 1869762902 BFUNQOYEOWOVKV-LBPRGKRZSA-N 492.510 0.963 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 1872674327 MKQLTXIVOHAHFD-UHFFFAOYSA-N 484.429 0.756 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCN(c2ccc3nncn3n2)CC1 1891575990 JRMGIUOGXYMFFK-UHFFFAOYSA-N 450.415 0.367 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)nc2O)CC1 2328565693 HCNONOTVVOZMQB-UHFFFAOYSA-N 469.458 0.761 5 10 JCBE CN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1=O 1891457303 CSIPQTORZALFMQ-XHSDSOJGSA-N 450.473 0.211 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC 1867807193 UDEYHMUIMFDIFU-MRXNPFEDSA-N 489.485 0.524 5 10 JCBE C[C@H]1CN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)C[C@@H](C)O1 1869951272 UGCBQVLDJUFAAX-DVOMOZLQSA-N 464.504 0.834 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2nccc(N3CCCC3)n2)CC1 1890564893 NIIZYAPSXAPUOC-UHFFFAOYSA-N 465.470 0.930 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858648780 MVIBTIYLBUAJQH-UHFFFAOYSA-N 477.499 0.957 5 10 JCBE CN1CCN(c2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C(C)(C)C)n2)CC1 1869956123 CVKUHEIDXIPVCL-UHFFFAOYSA-N 470.490 0.928 5 10 JCBE CC(=O)N1CCN(c2nc(=NC[C@@H](C)O)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576538 XMQRNXBHPJNVSE-LLVKDONJSA-N 450.887 0.482 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cccc1[N+](=O)[O-] 1871645669 OCVWEKZIXOHXIG-UHFFFAOYSA-N 468.522 0.168 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 2330671216 MAUNEHFTAREBCR-HOTGVXAUSA-N 454.439 0.924 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1867807019 QTXJFFJIKPHTHQ-JSGCOSHPSA-N 473.504 0.034 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1890704545 DUHMZJYOJILDDQ-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE CN(C)CCN(C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 1859464005 ZRJHKKQKURPSFS-CQSZACIVSA-N 466.516 0.548 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 1861123625 KIRAEVTUVKLQTC-AFYXXPPBSA-N 454.439 0.924 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC 1867806203 HPJXDAGZCTWBHT-GOEBONIOSA-N 468.507 0.056 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1869948101 KHHHBEQKBVXYDH-UHFFFAOYSA-N 484.473 0.407 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870052577 ZLXXLJCWFDACTJ-ZDUSSCGKSA-N 497.490 0.833 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2O)C1 1860919114 CUCVCUBVOXFNNN-JSNVTFDYSA-N 455.475 0.933 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867798533 TULRYAXIUOJVKR-DYVFJYSZSA-N 457.487 0.958 5 10 JCBE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867817639 ZTOSMWQTDKRYBS-OAHLLOKOSA-N 481.462 0.896 5 10 JCBE COCCN1[C@@H](C)CN(C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C[C@@H]1C 1869750322 ZGLDOGHECMKIQT-IRXDYDNUSA-N 463.535 0.729 5 10 JCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873777940 XCKHONXPKTWUAB-UHFFFAOYSA-N 464.442 0.986 5 10 JCBE NC(=O)CC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330632746 KKIVBMTYBAOFKA-GOSISDBHSA-N 489.510 0.322 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 22065234 UZMKMTNQYIJXTD-BVJIBDCISA-N 465.411 0.000 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869947079 UODAWWXVFNJRFD-MRXNPFEDSA-N 491.530 0.775 5 10 JCBE CCN1CCN(c2nc(NC(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C)n2)CC1 1870043417 VTQHWMFMLXZGDR-UHFFFAOYSA-N 470.490 0.880 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870062898 WHGFCCXIZLEXQR-CQSZACIVSA-N 450.477 0.759 5 10 JCBE CC(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1 1084578530 ALKFWTXSHBUHHI-PUKZFDJSSA-N 474.470 0.511 5 10 JCBE O=C([C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 1892243546 QWIGAAUHUCHBCX-QFBILLFUSA-N 480.543 0.845 5 10 JCBE Cc1c(C(=O)NCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 586405787 PSZPXAVHDPFRJU-UHFFFAOYSA-N 451.530 0.945 5 10 JCBE O=C1CCCN1CCCN1C(=O)C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863603707 MBNGWFFCJGTNEF-UHFFFAOYSA-N 471.514 0.609 5 10 JCBE CCCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867796651 FSYDCLQOFCPXJV-OAHLLOKOSA-N 465.507 0.745 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCCCO)[nH]2)cccc1[N+](=O)[O-] 1871644588 AQOAWAHAQFRQCA-UHFFFAOYSA-N 458.523 0.952 5 10 JCBE CCN(CC)CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705382 GVWOWQJPJKNITG-UHFFFAOYSA-N 487.565 0.831 5 10 JCBE O=C(N=c1nnc(CCC(=O)N2CCN(c3ncccn3)CC2)c(O)[nH]1)c1ccc([N+](=O)[O-])cc1 1860906419 XNMTYPDTSBDUCD-UHFFFAOYSA-N 479.457 0.231 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867847346 SEPMJSSVPUBGRV-OCCSQVGLSA-N 472.476 0.233 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nn12 1867882976 JGIOLHZGHDWBFL-LLVKDONJSA-N 453.868 0.505 5 10 JCBE CC(=O)NCCn1cc(OCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870370236 NMHUFTNXKHUVMY-UHFFFAOYSA-N 459.503 0.586 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870043908 HWCKSXOYXQHWJB-MRXNPFEDSA-N 463.520 0.940 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578115 QHGOUWLKBRBHGJ-UHFFFAOYSA-N 492.924 0.912 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1873692900 CCGGBMORIPUUNK-INIZCTEOSA-N 493.476 0.472 5 10 JCBE O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)cc1 96077844 RMYYPCIAJWYVHZ-MBMVNNNZSA-N 499.398 0.755 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2O)C1 1860919112 CUCVCUBVOXFNNN-HQWZXOHUSA-N 455.475 0.933 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865717898 FHXHEXQQKSTBAF-HNNXBMFYSA-N 473.486 0.618 5 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O=C(CN1CCN(c2nc(O)cc(CN3CCOCC3)n2)CC1)Nc1cccc([N+](=O)[O-])c1 1859427476 FINANIKGPBEJLE-UHFFFAOYSA-N 457.491 0.683 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795259 GLUVBZSQLUJUDE-SFHVURJKSA-N 499.524 0.797 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCC(C)C)[nH]2)cc1[N+](=O)[O-] 1871708302 XGYCGYNSLAFCCR-UHFFFAOYSA-N 460.539 0.948 5 10 JCBE CN(CCO)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)n1 2331851736 HLOFFSGCFRXBBR-HNNXBMFYSA-N 450.477 0.626 5 10 JCBE CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)n1 59366604 HMMYCJDKPWVAIK-UHFFFAOYSA-N 455.409 0.517 5 10 JCBE CCCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCNC=O)=C(N)O2 1864948056 HUYBCROKGBCDDM-INIZCTEOSA-N 458.475 0.933 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1cccnc1)=C(N)O2 1865717307 SYPMPIZGWNCRLK-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCN(C)CC3)cc2=O)c([N+](=O)[O-])c1 1870696393 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O=C(C=Cc1ccc([N+](=O)[O-])s1)NCCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 2330808746 FCRMNNVCBIFQFB-UHFFFAOYSA-N 492.499 0.474 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865732388 LIWMOPFKRUQEOE-HNNXBMFYSA-N 487.469 0.098 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867360234 JJUSLHDPDIADCF-RBUKOAKNSA-N 486.481 0.604 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865732073 FBVYFTKKTCZJRS-OAHLLOKOSA-N 487.469 0.098 5 10 JCBE CCNC(=O)COc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870531328 FXPWFANDIUICSO-QGZVFWFLSA-N 473.530 0.974 5 10 JCBE CC(=O)N1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1441395824 DUNRYOJARYAVDO-GOSISDBHSA-N 453.521 0.028 5 10 JCBE CCNC(=O)COc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870531437 GDJRCMOBQYRDBD-UHFFFAOYSA-N 473.530 0.976 5 10 JCBE O=C(N=c1nc(N2CCC(CO)CC2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1869981861 FIPLACZACAWLRT-INIZCTEOSA-N 464.504 0.429 5 10 JCBE COC(=O)c1cnc2nncn2c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1873766096 OHDUBUUBBXQKST-UHFFFAOYSA-N 453.371 0.834 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 101178881 CTOASCJVNQFYNH-SEFVSHJNSA-N 455.372 0.667 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NCCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 1858999528 FCRMNNVCBIFQFB-XVNBXDOJSA-N 492.499 0.474 5 10 JCBE CCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867786890 XSMSXHWWNIZXAC-INIZCTEOSA-N 477.518 0.889 5 10 JCBE Cc1ccc(N=c2ccc(=NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[nH][nH]2)nc1 1891652259 YDZMCTRRAVKXHV-UHFFFAOYSA-N 476.453 0.500 5 10 JCBE COCCN(C(=O)NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 217307010 GMAAUYDTRWIREI-CQSZACIVSA-N 468.488 0.426 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1760620234 JPVBATKOHCLPLL-LJQANCHMSA-N 491.574 0.641 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)c1 1858650919 XUABNVRYLMBTPR-UHFFFAOYSA-N 493.498 0.657 5 10 JCBE COCCNC(=O)COc1cn(CCOCCO)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870966679 JJKOCRGCYWUFNO-UHFFFAOYSA-N 464.475 0.519 5 10 JCBE CN(C)[C@@H](CN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1)c1ccc(O)cc1 1871521684 QGRBYAPHJLCIMX-IBGZPJMESA-N 466.502 0.969 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 256020494 KTFAOKJJGXUADA-HZVKZAKPSA-N 496.425 0.408 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 1867882032 AXSQWTUOUZKVLT-HNNXBMFYSA-N 470.891 0.897 5 10 JCBE CC(C)(NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868591433 MTFRTAZGFCAITB-HNNXBMFYSA-N 452.533 0.963 5 10 JCBE CCN(CCO)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520284 KUIZIPDHNOCACM-UHFFFAOYSA-N 488.530 0.445 5 10 JCBE CCOCCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706699 AQKJSQQKMZSKMH-UHFFFAOYSA-N 474.522 0.916 5 10 JCBE NS(=O)(=O)c1ccc(CNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)cc1 1863601568 LGEPXVRLBSORDN-UHFFFAOYSA-N 487.494 0.248 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1867807021 QTXJFFJIKPHTHQ-TZMCWYRMSA-N 473.504 0.034 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832890 SFIGHLKYENYRDP-DIFFPNOSSA-N 459.415 0.800 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] 1867846199 NEXDCZGCPBDSIN-HNNXBMFYSA-N 484.425 0.465 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870051518 HZSATRCXTZGIND-LBPRGKRZSA-N 483.463 0.525 5 10 JCBE COc1ccccc1N=c1[nH]c(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(N)c1[N+](=O)[O-] 1871312602 GZOBSTZBPFXXJE-UHFFFAOYSA-N 459.488 0.865 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871621617 MYTGQWZQERAVHY-UHFFFAOYSA-N 474.566 0.618 5 10 JCBE Cn1c(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cnc1[N+](=O)[O-] 1891729467 QKRGELKDQQZZPJ-UHFFFAOYSA-N 452.410 0.954 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 1892098676 WXBPYDORLTVNHB-UHFFFAOYSA-N 488.478 0.528 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858645961 ZVUDSKGODLOQHJ-UHFFFAOYSA-N 463.472 0.649 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865584875 KAAYGCBZXQPMAJ-GOSISDBHSA-N 486.485 0.919 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867872132 AMNQZWJPYMWODF-GFCCVEGCSA-N 490.947 0.837 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869445120 UIQZUEUNQHBQGA-IBGZPJMESA-N 461.519 0.496 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736156 JQGQIVBSMOOXGU-IAQYHMDHSA-N 471.470 0.651 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 1867359593 BXYIXNZCNMDLLX-ZWKOTPCHSA-N 460.418 0.962 5 10 JCBE CC(C)(C)n1nc(N2CC(O)C2)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869999550 VFVXKNJYTSNTTO-UHFFFAOYSA-N 457.447 0.747 5 10 JCBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861125542 JRNHPCCNPSXHGL-OPGJMIRHSA-N 489.510 0.322 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 1865731960 CGPUNGSUPRBAFZ-TYNCELHUSA-N 471.470 0.323 5 10 JCBE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1 1891350567 KQWXPYWLEOGPMF-UHFFFAOYSA-N 495.496 0.475 5 10 JCBE CCNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1859567941 IEFQSDLTHODMMI-UHFFFAOYSA-N 460.468 0.848 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867360233 JJUSLHDPDIADCF-OALUTQOASA-N 486.481 0.604 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCCS(=O)(=O)Nc1ccccc1 1867782421 UCWFITVDRQFJIW-UHFFFAOYSA-N 491.526 0.719 5 10 JCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869751818 MJRWDWBPPCKZEI-QGZVFWFLSA-N 474.562 0.936 5 10 JCBE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCN1CCOCC1 1870397378 CLCZNKMTTFRZTJ-UHFFFAOYSA-N 489.529 0.530 5 10 JCBE CN(C)CCN(C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 243752459 PXPUDIXJXNYFER-OAHLLOKOSA-N 466.516 0.548 5 10 JCBE CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858333722 JXMNENLAEHVCBW-AWEZNQCLSA-N 480.524 0.855 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870043815 DUWHWLNTYWMYRQ-AWEZNQCLSA-N 463.520 0.940 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865739469 OSHPJAFKURRECV-FZMZJTMJSA-N 491.888 0.324 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869960637 AREYQILBNZTADT-AWEZNQCLSA-N 479.519 0.559 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621080 GWMNBEKMJSQYNJ-UHFFFAOYSA-N 473.582 0.408 5 10 JCBE O=C(N1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1858623646 PBSPUPMAUXTJCP-UHFFFAOYSA-N 461.504 0.633 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732883 SGOKCHPZQSDFBY-JRPNMDOOSA-N 487.469 0.028 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787880 ANPXRHFSJKSXJN-UXHICEINSA-N 486.525 0.805 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 1867844905 DMUPGCSECBCUID-HNNXBMFYSA-N 495.470 0.460 5 10 JCBE O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872598319 FSGHUHNVRPCLKK-GOSISDBHSA-N 462.528 0.933 5 10 JCBE NC(=O)CC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330669821 YXNGBVZILWRQPK-KRWDZBQOSA-N 489.510 0.322 5 10 JCBE CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 35870182 HYDOQUGESQZSCY-PZJWPPBQSA-N 458.563 0.558 5 10 JCBE COC(=O)[C@H]1CCCN1C(=O)CCc1nnc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1O 1860896672 VYZHQQHOGXOPJV-OAHLLOKOSA-N 474.430 0.843 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 1861809616 OYIQLVPGKDNRGE-QAPCUYQASA-N 465.463 0.225 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867795348 ILJPRBLJXMUPMG-INIZCTEOSA-N 464.500 0.342 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821963 RSURKEPSIUURQJ-INIZCTEOSA-N 460.399 0.932 5 10 JCBE Cc1ccc(-n2nc(N3CC(O)C3)nc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1869999108 ZMPOLIPXVHVMOU-UHFFFAOYSA-N 477.437 0.900 5 10 JCBE CN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870030213 ZCTRXPKKBCPOPA-LLVKDONJSA-N 469.436 0.135 5 10 JCBE O=C(COc1nonc1C(=O)NCCN1C(=O)CSC1=O)Nc1cccc([N+](=O)[O-])c1 1872710162 WOFUSWPFKILWLM-UHFFFAOYSA-N 450.389 0.421 5 10 JCBE Cc1ccn(-c2ccc(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)nn2)n1 1891632067 YLNRKJQXTCQRJG-UHFFFAOYSA-N 476.453 0.824 5 10 JCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867834291 SBTAEYDLXYRMTG-KRWDZBQOSA-N 474.430 0.415 5 10 JCBE CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872630391 LZJVABRKZZODQW-HNNXBMFYSA-N 470.529 0.658 5 10 JCBE CC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)s1 1858334255 ONWBHADZKVWCQE-SNVBAGLBSA-N 476.518 0.146 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 1861809614 OYIQLVPGKDNRGE-CRAIPNDOSA-N 465.463 0.225 5 10 JCBE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865731896 AVBHFPLKSLBOCV-NHYWBVRUSA-N 471.470 0.793 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCOCC2)nn1[C@H]1CCS(=O)(=O)C1 1869952415 BYWPPDLZJGOXLW-AWEZNQCLSA-N 450.477 0.564 5 10 JCBE CC(C)(C)n1nc(N2CCC(C(N)=O)CC2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870063353 HSCGHXWGISUYHA-UHFFFAOYSA-N 498.500 0.878 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCn3ccnc3)[nH]2)cccc1[N+](=O)[O-] 1871643604 KBNQSKXRXHGETH-UHFFFAOYSA-N 482.549 0.489 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867360235 JJUSLHDPDIADCF-RTBURBONSA-N 486.481 0.604 5 10 JCBE CC(=O)NCCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577891 GCCXBPDEMAQNEP-UHFFFAOYSA-N 477.913 0.237 5 10 JCBE CCCCN(CCO)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705405 HSZQDMOYWOUCDV-UHFFFAOYSA-N 465.511 0.395 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCOC(C)C)[nH]2)cc1[N+](=O)[O-] 1871705723 QZHPPGVVCDYIHG-UHFFFAOYSA-N 465.511 0.394 5 10 JCBE O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCCn1ccnc1 1873016306 MYDSCHAVPGRUET-YESZJQIVSA-N 454.487 0.838 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 256020492 KTFAOKJJGXUADA-CWVBCOCOSA-N 496.425 0.408 5 10 JCBE O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1 916960035 AJNUSYVKXAEGKT-LLVKDONJSA-N 481.405 0.932 5 10 JCBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCN2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793620 KRPNBCHEZYNKLI-CRAIPNDOSA-N 465.463 0.225 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCOC)[nH]2)cc1[N+](=O)[O-] 1871620203 UISQTRVKPUTYSE-UHFFFAOYSA-N 460.539 0.492 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)c1 1858987083 MFMQEVBSAVAEMX-UHFFFAOYSA-N 491.526 0.879 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCCCC1)=C(N)O2 1865717632 ASBQJUFDKXYHRK-HNNXBMFYSA-N 471.470 0.841 5 10 JCBE Cc1c(Cl)cc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 16735833 AYUHHTDAUKGTNT-UHFFFAOYSA-N 460.896 0.248 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1867770978 HTBTUVFQWHBQGX-MRXNPFEDSA-N 484.918 0.735 5 10 JCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)O 1858975643 AVHIURAXYQYNRG-ZDUSSCGKSA-N 478.483 0.957 5 10 JCBE COCCCN(C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 1859463660 MDZWVECEVGNTAD-ZDUSSCGKSA-N 453.473 0.633 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870051951 QABUOQYDPROWKF-ZDUSSCGKSA-N 468.492 0.625 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] 1859322654 FDEQGNUZYBLLBP-QGZVFWFLSA-N 455.537 0.833 5 10 JCBE COCCCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=NCCCOC)[nH]1 1871470238 VFAUVOBAGXTZFN-UHFFFAOYSA-N 460.539 0.847 5 10 JCBE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858330057 QDBUUEHICAQQNC-AWEZNQCLSA-N 480.524 0.855 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870029880 URMIIMZOIWGZDI-LLVKDONJSA-N 458.884 0.880 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c([N+](=O)[O-])c1 1890704741 RYPKKBHYIGBANS-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22065173 CTOASCJVNQFYNH-YUAHOQAQSA-N 455.372 0.667 5 10 JCBE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 1858002597 PFSPQHGZPCXXSH-FQEVSTJZSA-N 479.511 0.784 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791642 QSIYYDJYCVFKGK-BEFAXECRSA-N 499.524 0.729 5 10 JCBE CC(C)(C)n1nc(N(CCO)CCO)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869954228 NZOHTECLQPQDAJ-UHFFFAOYSA-N 489.489 0.357 5 10 JCBE COc1ccc(C(=O)N2CNS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc32)cc1[N+](=O)[O-] 58901842 AOYWSNPHPCYRHK-UHFFFAOYSA-N 476.876 0.800 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865739468 OSHPJAFKURRECV-BXUZGUMPSA-N 491.888 0.324 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCCCN1[C@H]1C(=O)CSC1=O 1866022813 NUMPVHRUESGIRA-PBHICJAKSA-N 460.468 0.720 5 10 JCBE CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(N3CCNC3=O)CC2)c([N+](=O)[O-])c1 514326519 COUYZGVOPIJCFQ-UHFFFAOYSA-N 454.553 0.819 5 10 JCBE CC(=O)N1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 519202328 LBCMNSIQDKXWAK-UHFFFAOYSA-N 453.521 0.869 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H]2CN(Cc3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867796044 QYNMMWJFJGUKDP-ROUUACIJSA-N 485.497 0.889 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821426 MKEOKHIUBJWESR-HNNXBMFYSA-N 472.414 0.774 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1867348012 HHWYMHOJCJVPSN-MRXNPFEDSA-N 450.473 0.122 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865722444 RLGSRXSVFNNCQA-AWEZNQCLSA-N 459.459 0.230 5 10 JCBE Cn1nc(N2CCC3(CC2)OCCO3)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869973933 NJICGQABLRWYNE-UHFFFAOYSA-N 471.430 0.301 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCn3ccnc3)[nH]2)ccc1Cl 1871577330 SWNIKXJQIPSXSC-UHFFFAOYSA-N 477.913 0.510 5 10 JCBE COc1ccc(S(=O)(=O)C2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 1892387175 CZXUCZBBZSMONG-UHFFFAOYSA-N 459.436 0.884 5 10 JCBE CN(C)CCN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1866348418 XUAJCLWXIOKPBL-KRWDZBQOSA-N 453.565 0.538 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867845603 IZOSRXYLUMPPRS-HZPDHXFCSA-N 467.479 0.255 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870015284 FRGNWHMCPLPTFO-MRXNPFEDSA-N 493.546 0.221 5 10 JCBE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc5nncn5n4)CC3)CC2=O)cc1[N+](=O)[O-] 1872992780 KVOWTXIHEURRFJ-CQSZACIVSA-N 466.458 0.743 5 10 JCBE C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2 238808768 APKFDSVGJQXUKY-HCESAQGISA-N 924.091 0.712 5 10 JCBE CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O 271776633 PZNCQQDHCDLLGT-ZJNRKIDTSA-N 479.490 0.548 5 10 JCBE CN1CCN(S(=O)(=O)c2ccc(NCCCN3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 506750566 AQXJAJRDHTZXQI-LJQANCHMSA-N 482.607 0.886 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C1 1865735820 CXEXUZNGWSFFQH-IUODEOHRSA-N 455.471 0.945 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867849713 VOEHKMRFZOOXMQ-KSSFIOAISA-N 499.480 0.992 5 10 JCBE COc1ccc(OCCN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)cc1 1871644232 TXOYPMBLDFBMNB-UHFFFAOYSA-N 499.528 0.966 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253614084 CTOASCJVNQFYNH-ZQOJQMTGSA-N 455.372 0.667 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867805208 COBMFWYUZSTFNW-HNNXBMFYSA-N 481.483 0.293 5 10 JCBE CCc1ccc(N=c2[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621428 KAHRQAJIQWKGLX-HUUCEWRRSA-N 461.523 0.964 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865722261 NQOBAZZHGPIKSP-CQSZACIVSA-N 459.459 0.230 5 10 JCBE Cn1nc(N2CCC(CO)CC2)nc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869981367 LWPVFUCMYCNYIG-UHFFFAOYSA-N 471.474 0.947 5 10 JCBE COC(=O)[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2049263067 UPRXFWNZWWKSQU-GJGATLCTSA-N 455.372 0.667 5 10 JCBE CCOC(=O)N1CCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)CC1 1860905902 JZEUHSHSAOUHAT-UHFFFAOYSA-N 473.446 0.393 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)C(C)(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867780998 WLISOIBBSQDYCN-UHFFFAOYSA-N 463.491 0.499 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833052 IRBZMNICADOWCB-MSOLQXFVSA-N 487.425 0.731 5 10 JCBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871644307 WENWNVNQOKRQMR-UHFFFAOYSA-N 474.503 0.620 5 10 JCBE O=C(NCCOCCO)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872615627 CNPHHUSZBCKGRW-MRXNPFEDSA-N 455.464 0.749 5 10 JCBE O=C1C[C@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCCN1CCOCC1 1873016429 PKFRADJJFHKZIP-BZSNNMDCSA-N 473.530 0.273 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc2O)CC1 2327470684 MTCIMRKLGUYOAG-UHFFFAOYSA-N 469.458 0.761 5 10 JCBE O=C1[C@@H]2[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N[C@@](CO)(C(=O)O)[C@@H]2C(=O)N1CCCCO 247393636 LSBDGNKMOASYKM-VDNWNZSNSA-N 473.438 0.689 5 10 JCBE O=C(COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC[C@@H]1CCCO1 1872644780 POQYADILLFQQBG-KRWDZBQOSA-N 474.474 0.543 5 10 JCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865723314 MUTQNUAKKIVCIL-HNNXBMFYSA-N 472.502 0.145 5 10 JCBE CCCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867796649 FSYDCLQOFCPXJV-HNNXBMFYSA-N 465.507 0.745 5 10 JCBE Cc1cccc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 2328610517 JRPFXAPLNFQOOX-UHFFFAOYSA-N 458.434 0.800 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)cc2[N+](=O)[O-])CC1 1166753048 XQIWHBHTJGUQOS-CQSZACIVSA-N 453.521 0.369 5 10 JCBE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867357380 HBCQFXYNWUMSMU-DOMZBBRYSA-N 470.529 0.572 5 10 JCBE CN(C)CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CC(O)C1 1870589968 LNUIQIZTRCNKJK-UHFFFAOYSA-N 460.487 0.940 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871644188 PBQCHMYMZSSIAB-UHFFFAOYSA-N 485.549 0.088 5 10 JCBE O=C1CCC(=O)N1c1ccc(S(=O)(=O)N(CCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1858002416 HIPCQEZUZKBIFZ-SFHVURJKSA-N 463.468 0.965 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865715852 LJLNBWRAUGLSQK-AWEZNQCLSA-N 459.459 0.228 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 1867783730 KIXPUCZKDBQTKV-IBGZPJMESA-N 490.605 0.818 5 10 JCBE CN(CCO)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574417 JFHAQVMWVADRNI-UHFFFAOYSA-N 464.914 0.874 5 10 JCBE C[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867791135 CIFFIJTZGXOQNW-WZONZLPQSA-N 472.498 0.546 5 10 JCBE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867871713 UDKFMHRFUZVHGX-NVXWUHKLSA-N 478.527 0.819 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807518 ZXMCCYKJQHDDDP-GDBMZVCRSA-N 488.453 0.844 5 10 JCBE CCN(CC)CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576073 DMQBRJLJNMUBKK-UHFFFAOYSA-N 468.946 0.565 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2O)C1 1860871935 BORBSWRJLWXGOJ-NADMHLTPSA-N 455.475 0.933 5 10 JCBE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 2037814230 AGWYHLDAEVAMEC-GQUPQBGVSA-N 496.425 0.408 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 247347256 UZMKMTNQYIJXTD-SDZDHKAXSA-N 465.411 0.000 5 10 JCBE COCCN1[C@@H](C)CN(C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C[C@H]1C 1869750320 ZGLDOGHECMKIQT-CALCHBBNSA-N 463.535 0.729 5 10 JCBE O=C(NCCOCCO)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872615666 DFFLOGSKRXPYSO-GOSISDBHSA-N 455.464 0.749 5 10 JCBE COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](O)[C@@H](O)[C@H]1OC2=O 1616183351 FYHDVZOWQSEFHF-AQTAMXOASA-N 477.378 0.572 5 10 JCBE biogenic C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736157 JQGQIVBSMOOXGU-NHYWBVRUSA-N 471.470 0.651 5 10 JCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 1867234913 LAGRVDSCUDIZBK-AWEZNQCLSA-N 452.445 0.289 5 10 JCBE CCOCCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870396904 ZBVXXIWUPQNRBY-UHFFFAOYSA-N 492.529 0.987 5 10 JCBE CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 1359401445 RSRLIGMPZUTMEO-LJQANCHMSA-N 484.561 0.980 5 10 JCBE COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](O)[C@@H](O)[C@@H]1OC2=O 1616183353 FYHDVZOWQSEFHF-QQLXZEJQSA-N 477.378 0.572 5 10 JCBE biogenic CC(=O)N1CCN(c2nc(=NC[C@H]3CCCO3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871642401 VYHGIBZWUKUNIZ-MRXNPFEDSA-N 456.507 0.935 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3cccnc3)[nH]2)cc1[N+](=O)[O-] 1871707344 LASCOIJZGBQYCM-UHFFFAOYSA-N 456.463 0.174 5 10 JCBE Cc1nnc2ccc(N3CCCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)nn12 1891581058 PMZAFBPMZHRNQL-UHFFFAOYSA-N 464.442 0.676 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 102201898 HANQNSOXWBEEGZ-UEDWAMCQSA-N 468.415 0.630 5 10 JCBE CN1CCN(c2ccc(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)cc2[N+](=O)[O-])CC1 1866055902 OWNCFHXYLJSUOU-RVKKMQEKSA-N 463.516 0.592 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCc3cnc[nH]3)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870696426 GLMDCJOPPYXQII-UHFFFAOYSA-N 498.496 0.925 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102213219 MHAQOFAFDHVKQE-VAVNGKDRSA-N 483.382 0.479 5 10 JCBE CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1508216822 OMZFIFXETUBKDP-UHFFFAOYSA-N 457.491 0.771 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)cc1[N+](=O)[O-] 1858647330 ACXQZPLOVOZORZ-UHFFFAOYSA-N 493.498 0.657 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645772 PHWNOWCMCULEFM-UHFFFAOYSA-N 499.576 0.478 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1867348011 HHWYMHOJCJVPSN-INIZCTEOSA-N 450.473 0.122 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 1867882035 AXSQWTUOUZKVLT-OAHLLOKOSA-N 470.891 0.897 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N(C)CCO)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870029543 OLJFSRRQDQGSMD-LBPRGKRZSA-N 483.463 0.443 5 10 JCBE O=C1C[C@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCN1C(=O)CSC1=O 1873016165 JFNOGKVMCHOFPT-IHRRRGAJSA-N 489.510 0.246 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873777542 JXOZXCFMQYNZHR-UHFFFAOYSA-N 450.415 0.596 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)N2CCCC2)C1 1892246907 QUVHREZMXIWVDG-RBUKOAKNSA-N 480.543 0.988 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721719 ZURWGTDICGMKCS-QGZVFWFLSA-N 498.540 0.679 5 10 JCBE COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C 15935548 BQQZHOMLJCPJMY-UHFFFAOYSA-N 476.467 0.957 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 1865731961 CGPUNGSUPRBAFZ-ZOWXZIJZSA-N 471.470 0.323 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869946469 JDSIQEIASPAUFW-MRXNPFEDSA-N 477.503 0.467 5 10 JCBE C[C@H]1CN(c2nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871314582 AGCIGJAESNOPIE-TXEJJXNPSA-N 451.509 0.305 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OC 1867807407 YDBNGEWKTRUWIN-OAHLLOKOSA-N 460.443 0.766 5 10 JCBE O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872599669 RVGLGDQDFRLONX-HXUWFJFHSA-N 462.528 0.933 5 10 JCBE CN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1=O 1891457302 CSIPQTORZALFMQ-OWCLPIDISA-N 450.473 0.211 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 1861343818 BGWOYSRYQLCADD-KBXCAEBGSA-N 464.475 0.916 5 10 JCBE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 65356743 QSXXQBHQCYYRAM-ROUUACIJSA-N 462.507 0.274 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)cc2[N+](=O)[O-])CC1 1588023157 QGMARJHHFPIGQC-QGZVFWFLSA-N 459.503 0.367 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@@H](O)CN1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867785486 ULVGXWRSSBWNNC-MOPGFXCFSA-N 477.562 0.639 5 10 JCBE O=C1CCCN1CCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCN2CCOCC2)C1=O 1863597629 MQPLIVJDBNGLLQ-UHFFFAOYSA-N 471.514 0.609 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865716210 VFPPVBUUVCVBKL-AWEZNQCLSA-N 493.904 0.881 5 10 JCBE CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892416470 ZXEAQHCKXUUYLM-INIZCTEOSA-N 460.534 0.242 5 10 JCBE NS(=O)(=O)c1ccc(CN2C(=O)C(NCCCNC=O)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863592268 SAACUWODKVRHHY-UHFFFAOYSA-N 487.494 0.248 5 10 JCBE CSCC[C@H](NC(=O)CCS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868870589 FULUPYNTSYEDFG-KRWDZBQOSA-N 472.589 0.916 5 10 JCBE COc1ccc(-n2nc(N3CC(O)C3)nc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1869998857 OLBGGDDEZKRWHM-UHFFFAOYSA-N 493.436 0.600 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N(CCN)C(C)=O)=C(N)O2 1865586342 NZJNLNUSWXNWAH-KRWDZBQOSA-N 486.485 0.690 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1cccnc1)=C(N)O2 1865717306 SYPMPIZGWNCRLK-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE O=C1CN(C(=O)c2ccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)CCN1 1873746084 HAVFFAANZDVTSL-UHFFFAOYSA-N 451.395 0.402 5 10 JCBE COc1ccc(-n2[nH]c(N3CCN(CCO)CC3)nc2=NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1870011449 ASMCVBRLESAVGD-UHFFFAOYSA-N 467.486 0.973 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870076464 FDDJJKYHOHNYEA-UHFFFAOYSA-N 489.489 0.837 5 10 JCBE O=C(COc1cn(CCN2CCOCC2)c(CN2CC(O)C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397814 UTEVUTBYPMFMLL-UHFFFAOYSA-N 487.513 0.283 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873699508 BZMIMAKUCHAQKM-GJZGRUSLSA-N 465.466 0.588 5 10 JCBE O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12 247347859 BRFTUGJXUXEXSH-GMAHTHKFSA-N 494.552 0.828 5 10 JCBE O=C(O)CN(C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)[C@H]1CS(=O)(=O)C[C@H]1O 1866313317 MHOBFSJYVGDGKW-DLBZAZTESA-N 461.448 0.396 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 1867882376 DHOYTPHMTJLHJN-OAHLLOKOSA-N 455.876 0.929 5 10 JCBE CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868598733 OWLIEROKMFTEOX-MAUKXSAKSA-N 452.533 0.963 5 10 JCBE O=C(c1cn(CCN2CCOCC2)c(=O)cc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870119676 BECPDUWKEVWNQZ-UHFFFAOYSA-N 457.487 0.757 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)C=Cc2ccccc2[N+](=O)[O-])CC1 2330670798 KINCSVYTZGQQMV-INIZCTEOSA-N 461.475 0.705 5 10 JCBE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)O 1858646981 PRUGXLWYCYRCHQ-GFCCVEGCSA-N 464.456 0.915 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867898690 OUQMDRFLXQIPOA-GFCCVEGCSA-N 490.947 0.837 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)cc1[N+](=O)[O-] 1869805495 GYGVMFAUIWCQHD-LBPRGKRZSA-N 460.451 0.715 5 10 JCBE CCN1C(=O)N[C@H](CC2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1=O 1891708419 JUHIPCQLHCHAAX-CQSZACIVSA-N 457.443 0.760 5 10 JCBE COc1ccc(-n2nncc2C(=O)N[C@H](CO)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1866925334 ATYJXYZEGHTEES-MRXNPFEDSA-N 456.415 0.922 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCCC[C@H]1CCS(=O)(=O)C1 1867782302 SSHGHOOMHORIOE-HNNXBMFYSA-N 468.532 0.492 5 10 JCBE Cn1nc(N2CCN(c3ccccn3)CC2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870053055 OVOBNCPXUNVGGX-UHFFFAOYSA-N 491.468 0.680 5 10 JCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 1867360697 ONGHPLKENKWTGV-YADHBBJMSA-N 485.541 0.799 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867796737 WGGXWIJRRLJCOW-RTWAWAEBSA-N 499.568 0.811 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3CCOCC3)[nH]2)c1 1871518413 YSFZEBFXLOLYTK-UHFFFAOYSA-N 458.523 0.320 5 10 JCBE CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1478569003 TXZOHOKWFZCBBC-INIZCTEOSA-N 453.521 0.869 5 10 JCBE C/C(=C/C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CN1CCOCC1 1540789971 AUDSZLUXDDTJBK-SSZFMOIBSA-N 452.533 0.925 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)cc1[N+](=O)[O-] 1858659422 OIKFHSKXJIZORM-UHFFFAOYSA-N 477.499 0.837 5 10 JCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865721117 KAJNXPMUGSQMEF-OAHLLOKOSA-N 472.502 0.145 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732885 SGOKCHPZQSDFBY-UEKVPHQBSA-N 487.469 0.028 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867795613 MTDWFWZXAHLIMC-IAGOWNOFSA-N 471.470 0.893 5 10 JCBE O=C(CCN1CCOCC1)N1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1868120650 WJFZETJVBUBECG-UHFFFAOYSA-N 461.519 0.438 5 10 JCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1868122996 HNBWXPDUJXWZPF-UHFFFAOYSA-N 487.513 0.364 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706653 LNJFQYWQHRRVKA-CQSZACIVSA-N 482.505 0.285 5 10 JCBE CC[C@@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867799297 ARGUIFPSKGXVJY-HXUWFJFHSA-N 451.480 0.355 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867800749 ATOFYOVYJOXTHZ-LRDDRELGSA-N 474.470 0.909 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1[N+](=O)[O-] 1869798791 DJNLDZUFHULUAE-UHFFFAOYSA-N 477.455 0.774 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870697072 WINALQPXOLNJPT-UHFFFAOYSA-N 464.475 0.589 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867836236 IEDBGXYBCVJOMN-UHFFFAOYSA-N 479.471 0.938 5 10 JCBE O=C(COc1cn(CCOCCO)c(CNc2cccc([N+](=O)[O-])c2)cc1=O)N1CCOCC1 1871035248 CBCUOLSEOIBGEZ-UHFFFAOYSA-N 476.486 0.615 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620620 MNXUXCZKWQAUSY-UHFFFAOYSA-N 474.503 0.218 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1519795162 RUXASMFSVWGQPA-MRXNPFEDSA-N 453.521 0.417 5 10 JCBE O=C([C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCCC1 1892246906 QUVHREZMXIWVDG-OALUTQOASA-N 480.543 0.988 5 10 JCBE COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c1 1860846870 YXIWUCGOXGTBGN-HNNXBMFYSA-N 470.504 0.569 5 10 JCBE CCc1nn(CC)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865624841 HXZMPQMJJNZSPL-SFHVURJKSA-N 486.529 0.910 5 10 JCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCC(N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 1867283275 QGBJGJNIUWWHKC-VJFUWPCTSA-N 463.535 0.825 5 10 JCBE CCN1C(=O)N[C@@H](CC2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1=O 1891708418 JUHIPCQLHCHAAX-AWEZNQCLSA-N 457.443 0.760 5 10 JCBE Cc1c(C(=O)Nc2nnc(CCC(=O)NCCN3CCOCC3)c(O)n2)cccc1[N+](=O)[O-] 1860833625 GZDUXHCUQXMJIC-UHFFFAOYSA-N 459.463 0.427 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867849349 SCMBZUKVISZYGQ-OAHLLOKOSA-N 459.415 0.965 5 10 JCBE Cc1nnc2sc(CCC(=O)NCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nn12 1868902941 KRTNLTVVWGJFKB-UHFFFAOYSA-N 458.504 0.800 5 10 JCBE COc1ccc(-n2nc(N(C)CCO)nc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870025496 GEOKNYUOQVRSIL-UHFFFAOYSA-N 495.452 0.847 5 10 JCBE COC(=O)COc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870874603 KLEOBXLHMDGOPK-UHFFFAOYSA-N 451.432 0.938 5 10 JCBE COCCN(C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 1859461928 DDCTZSLLISHRDP-ZDUSSCGKSA-N 453.473 0.633 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC1CCCC1)=C(N)O2 1865718015 FVPLEWLZZMOINY-MRXNPFEDSA-N 499.480 0.517 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867798532 TULRYAXIUOJVKR-CXAGYDPISA-N 457.487 0.958 5 10 JCBE O=C1CO[C@@H](C2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1 1892110761 DIHFGPDRFNZPBM-RTBURBONSA-N 480.543 0.892 5 10 JCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1858647014 RGVQSKHDTJGBLI-UHFFFAOYSA-N 476.515 0.675 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1873773910 ACPFDYOQWXVDJO-LSDHHAIUSA-N 493.476 0.505 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881946 UPJYUUBKKLSWAO-KRWDZBQOSA-N 485.588 0.474 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 1867912432 WLNHUQSKFITQEW-MRXNPFEDSA-N 470.891 0.897 5 10 JCBE O=C(COc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC[C@@H]1CCCO1 1872685493 BFSNUQKOZGUPOX-INIZCTEOSA-N 460.447 0.614 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1873695633 GLFMQQNGRVLTGL-ZDUSSCGKSA-N 497.439 0.615 5 10 JCBE O=C(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)CCC1=O)Nc1ccc([N+](=O)[O-])cc1 642887519 YBHICHMUSRMLOH-GOSISDBHSA-N 481.465 0.526 5 10 JCBE C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869927145 SEWDHZCDLIUPJK-ZDUSSCGKSA-N 497.489 0.873 5 10 JCBE CC(=O)NCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(CCO)CC1 1870688579 PHPIVVOZXAEQPB-UHFFFAOYSA-N 473.530 0.582 5 10 JCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)cc1[N+](=O)[O-] 1858986957 ZJOGVMDCTKBKOM-UHFFFAOYSA-N 494.482 0.991 5 10 JCBE CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869761747 ZOQOMGALQBJKPN-INIZCTEOSA-N 458.523 0.955 5 10 JCBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@H](c3ccc(O)cc3)N(C)C)[nH]2)cc1[N+](=O)[O-] 1871708392 KZWLGWMSDZTQEA-LJQANCHMSA-N 496.528 0.977 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867795349 ILJPRBLJXMUPMG-MRXNPFEDSA-N 464.500 0.342 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871706314 XUMKOEYHTGVSIC-UHFFFAOYSA-N 485.549 0.552 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 2330635139 KIRAEVTUVKLQTC-DLBZAZTESA-N 454.439 0.924 5 10 JCBE O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCN1C(=O)CSC1=O 1873016166 JFNOGKVMCHOFPT-MELADBBJSA-N 489.510 0.246 5 10 JCBE CC(=O)NCc1nnc2sc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1874762062 DGZBPHNPWYZCFK-UHFFFAOYSA-N 460.476 0.497 5 10 JCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858645719 QGEGAOOVZGDKFO-UHFFFAOYSA-N 450.429 0.987 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721102 JKYZOCYBAZSMMF-KRWDZBQOSA-N 498.540 0.679 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865734741 PONKOUFQQQIGMB-HNNXBMFYSA-N 471.470 0.651 5 10 JCBE CCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867798759 WLLMSYKJZYVOQE-CQSZACIVSA-N 451.480 0.355 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cccc1[N+](=O)[O-] 1871642399 VXNMANPDQDLYJH-MRXNPFEDSA-N 458.523 0.381 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)Cc3ccccc3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871708517 PPJXSSWWVBROIZ-UHFFFAOYSA-N 455.475 0.779 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 1867795979 BGEUELWXACOIEC-NRFANRHFSA-N 485.497 0.927 5 10 JCBE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1866024437 XHKAZQNDGCCLNV-NSHDSACASA-N 469.410 0.906 5 10 JCBE CCN1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870043666 BWQMNOLIHSIAKF-INIZCTEOSA-N 463.520 0.362 5 10 JCBE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)cccc1[N+](=O)[O-] 1858648624 GGMXQFLUFGMOHF-UHFFFAOYSA-N 450.429 0.906 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1867283016 IRTDAZOSFDSYDY-RJYAGPCLSA-N 463.535 0.825 5 10 JCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 1867360664 ODPZBWYZJTZVQV-RTWAWAEBSA-N 472.498 0.884 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCCCO)[nH]2)ccc1Cl 1871576910 JTTJPTIACCILRS-UHFFFAOYSA-N 469.930 0.776 5 10 JCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645863 WBDLIEUIWZNFGM-UHFFFAOYSA-N 495.426 0.896 5 10 JCBE C[C@@H]1CN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)C[C@@H](C)O1 1869951274 UGCBQVLDJUFAAX-XJKCOSOUSA-N 464.504 0.834 5 10 JCBE C[C@@H](O)CN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576541 XMZMWWIKTOVFID-SNVBAGLBSA-N 450.887 0.515 5 10 JCBE O=C([C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)C2CC2)CC1 1892418784 ZMKSJFGFCOLOPF-GOSISDBHSA-N 486.572 0.774 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867897342 CNJJZEVGVHTMRP-AWEZNQCLSA-N 484.918 0.776 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858975870 GCIGCCHSGYRIBS-UHFFFAOYSA-N 464.456 0.569 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834683 VRZDHVWKWHCCBC-INIZCTEOSA-N 466.428 0.184 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1873788781 MFGAAWHTWUDOJM-RYUDHWBXSA-N 467.394 0.907 5 10 JCBE CCOc1ccc(-n2nnnc2CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1891842525 PXEAXXKJQWQYPL-UHFFFAOYSA-N 451.399 0.882 5 10 JCBE CC1(C)S[C@@H]2[C@H](NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2[C@H]1C(=O)O 1859456558 STLNYXDTOKAXGO-QWQRMKEZSA-N 476.467 0.603 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870043907 HWCKSXOYXQHWJB-INIZCTEOSA-N 463.520 0.940 5 10 JCBE CN(C)CCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576520 WZSRDYXAIUWYRY-UHFFFAOYSA-N 479.973 0.499 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N(C)CCO)=C(N)O2 1865584091 BUISLOPEFNIHDP-INIZCTEOSA-N 459.459 0.807 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC 1867806059 HENRGMLAHXJMKI-NVXWUHKLSA-N 461.471 0.985 5 10 JCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 1867876175 YWPNPAVUJYXVIG-INIZCTEOSA-N 450.473 0.552 5 10 JCBE COc1ccc(-n2[nH]c(N(CCO)CCO)nc2=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1869954818 JBQSYUZBCLCCBW-UHFFFAOYSA-N 456.459 0.958 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCO)[nH]2)c1 1871520731 MFHDECVVTYZGFT-UHFFFAOYSA-N 452.479 0.278 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCOCCO)[nH]2)ccc1Cl 1871578001 LIOIXTVYIADSKR-UHFFFAOYSA-N 495.924 0.785 5 10 JCBE COc1cc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1OC 10591249 NIRRSHDWDJCPRD-UHFFFAOYSA-N 496.498 0.723 5 10 JCBE CCN(CCO)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865584156 HBLLURNESZGFQI-KRWDZBQOSA-N 459.459 0.943 5 10 JCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867799733 JVWHJZSOYMIAOU-QGZVFWFLSA-N 472.502 0.572 5 10 JCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(c2nnc(C)n2C)CC1 1869770004 LCYBOFLEYNROED-OAHLLOKOSA-N 475.506 0.906 5 10 JCBE O=C1C(NCCCn2ccnc2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCN1CCOCC1 1863597323 COIVFLVSZIWHLS-UHFFFAOYSA-N 454.487 0.883 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865719544 YNVNKFBCJOWJAE-KRWDZBQOSA-N 493.476 0.882 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@H](O)CN1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867785489 ULVGXWRSSBWNNC-OALUTQOASA-N 477.562 0.639 5 10 JCBE COCCOC(=O)COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870478825 VXDAATPZPHNXOA-UHFFFAOYSA-N 490.513 0.639 5 10 JCBE CN(CCO)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519344 QCGMRDQFTJFHJP-UHFFFAOYSA-N 488.530 0.098 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871708720 ZDEAASQLIFUSTH-UHFFFAOYSA-N 498.548 0.189 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCOC)CCOC)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871620979 HJJASXLMETVMBH-UHFFFAOYSA-N 476.538 0.577 5 10 JCBE COc1cc(C(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)c([N+](=O)[O-])cc1OC 238893101 QUOKSZQUMURHHG-UHFFFAOYSA-N 453.477 0.882 5 10 JCBE C[C@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CSc1nnnn1C 1870248880 QVKANQDAMFMCEL-LBPRGKRZSA-N 475.487 0.971 5 10 JCBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632373 NBSKFTCLIVFADC-LBPRGKRZSA-N 456.502 0.268 5 10 JCBE CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632390 NLYFAIDOZKNCMJ-SFHVURJKSA-N 484.556 0.904 5 10 JCBE CCc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cc1[N+](=O)[O-] 1873017036 HCSRATSEVWQNMU-SFHVURJKSA-N 473.530 0.513 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1873774147 KUAFXWIQWDTKAS-LSDHHAIUSA-N 493.476 0.505 5 10 JCBE Nc1cc2c(nn1)CC[N@+](C(=O)[C@H]1CC(=O)N(CC3CC3)C1)(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 252671760 OECDBDGHPBPYIX-COCAZZEBSA-N 481.577 0.502 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848438257 MHAQOFAFDHVKQE-IHEQNBGGSA-N 483.382 0.479 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 1859315549 NAMHQYOBDZIVQV-HNNXBMFYSA-N 455.537 0.691 5 10 JCBE O=C1CC[C@@H](N2Cc3c(NC(=O)CN4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cccc3C2=O)C(=O)N1 1859475232 ZZBNZXCDNRKYCM-QGZVFWFLSA-N 491.416 0.591 5 10 JCBE Cc1cc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 1867876176 YWPNPAVUJYXVIG-MRXNPFEDSA-N 450.473 0.552 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870030478 AFMGMDVJGRBBTQ-NSHDSACASA-N 458.884 0.880 5 10 JCBE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCOCCO 1870398197 MCTJNWQUAYJHII-UHFFFAOYSA-N 464.475 0.207 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864891471 LGEZDKQSIAZBMX-QGZVFWFLSA-N 472.458 0.355 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 1867806771 MUZLMHCCHBTWLA-MRXNPFEDSA-N 481.550 0.235 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708662 WEVQPCOERMRMSA-CHWSQXEVSA-N 460.495 0.537 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1872945811 CFWMVAZJRLRJEA-YJBOKZPZSA-N 478.527 0.808 5 10 JCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)NC(=O)[C@H]32)cc1 247850574 RJAKFAKJMVYHQM-FSNCLGKMSA-N 453.407 0.981 5 10 JCBE COC(=O)N1CCN(c2ccc(C(=O)NCCc3nn4cnnc4s3)cc2[N+](=O)[O-])CC1 1859104686 NTSFUZXHCYIBIU-UHFFFAOYSA-N 460.476 0.955 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867787475 KJGMZFIUJZUWFP-UHFFFAOYSA-N 463.516 0.787 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791644 QSIYYDJYCVFKGK-HNAYVOBHSA-N 499.524 0.729 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518745 TXRDOYTZOVHMAD-UHFFFAOYSA-N 483.533 0.493 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 256020496 KTFAOKJJGXUADA-IYWGDAJJSA-N 496.425 0.408 5 10 JCBE O=C(NCCN1CCOCC1)c1ccc(N2CCN(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 1860867159 RXCCUCGURNANID-UHFFFAOYSA-N 459.425 0.868 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc1[N+](=O)[O-] 1867848548 YYIPGFCHCZKGHR-AWEZNQCLSA-N 472.414 0.774 5 10 JCBE O=C1CCCN1CCCN=c1[nH]c(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871739341 TWRYKGOGYIXBTG-UHFFFAOYSA-N 497.560 0.638 5 10 JCBE O=C(c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCO[C@@H](C(=O)N2CCOCC2)C1 1892063794 VGOYKMJIOHPNSP-LJQANCHMSA-N 456.455 0.505 5 10 JCBE COC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791750 HWGMJUQDESSKIZ-FJTVPBJSSA-N 456.502 0.883 5 10 JCBE CC(=O)N[C@@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 22064743 HANQNSOXWBEEGZ-VYJAJWGXSA-N 468.415 0.630 5 10 JCBE NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861027983 JBWHCNJQOXSYIV-HNNXBMFYSA-N 497.917 0.576 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 1861343819 BGWOYSRYQLCADD-KDOFPFPSSA-N 464.475 0.916 5 10 JCBE CC(=O)NCCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644581 AGKVYSCIQGASAN-UHFFFAOYSA-N 492.544 0.945 5 10 JCBE CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1 14019641 ALKFWTXSHBUHHI-NLLZAZKPSA-N 474.470 0.511 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 244519636 ZRBZPXMZUOGZCQ-UHFFFAOYSA-N 460.468 0.977 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1cccnc1)=C(N)O2 1865717577 ZMBWAZCGANTXON-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE CC(=O)Oc1ccc(C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)O)cc1 1866024052 OGSOOODRYYLELU-HNNXBMFYSA-N 455.379 0.928 5 10 JCBE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nn[nH][nH]3)cc2)cccc1[N+](=O)[O-] 1858677857 QUTULJKZTVDYAR-UHFFFAOYSA-N 460.432 0.279 5 10 JCBE O=C(c1nn(CCO)c(-c2cccc([N+](=O)[O-])c2)c1Cl)N1CCN(c2nncc(O)n2)CC1 1859421540 MMROIMGVNRVHOJ-UHFFFAOYSA-N 474.865 0.957 5 10 JCBE CN(C)c1nc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N(C)C)n1 1891569865 QBXKHWPUGHQPIL-INIZCTEOSA-N 492.562 0.771 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858975292 VJIHDHZJULMKSY-UHFFFAOYSA-N 450.429 0.640 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C1 1865736420 MBWPIPRUFUOIDV-WFASDCNBSA-N 455.471 0.945 5 10 JCBE CCCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867805958 TUOUPEBKJKNWKF-AWEZNQCLSA-N 482.490 0.696 5 10 JCBE CCN1CCN[C@H](C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)C1 1860899479 WXPQZTOCBFRSFS-INIZCTEOSA-N 455.537 0.268 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865716323 XUHAHNHOVUBWHE-CQSZACIVSA-N 459.459 0.228 5 10 JCBE CC(C)(C)n1nc(N2CCC(C(N)=O)CC2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870063847 YWOJWJXJZVKOAD-UHFFFAOYSA-N 498.500 0.878 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871705713 QPSOOVFSIARGEK-UHFFFAOYSA-N 461.479 0.513 5 10 JCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873777290 DUXZNLGFDWEOEF-UHFFFAOYSA-N 464.442 0.986 5 10 JCBE NS(=O)(=O)c1ccc(CN=c2[nH]c(Nc3ccc(S(N)(=O)=O)cc3)ncc2[N+](=O)[O-])cc1 1871302173 FONKRRZMHUDNSK-UHFFFAOYSA-N 479.500 0.457 5 10 JCBE O=C(NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905087 FDXVJQOKYDKWQF-GOSISDBHSA-N 473.530 0.635 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 503998349 MHAQOFAFDHVKQE-YFYQMDMQSA-N 483.382 0.479 5 10 JCBE in-vitro CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCN2CCOCC2)CC1 1541003535 QJEAEZHYDXIDLB-UHFFFAOYSA-N 486.577 0.786 5 10 JCBE C[C@H]1CCn2cc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)nc2C1 1867795761 PSZBUXXOLZMDSE-YOEHRIQHSA-N 458.519 0.889 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O 504249676 NAEXCCUZPJWPMZ-LDIYZUBKSA-O 467.926 0.810 5 10 JCBE in-vitro CC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)cc2[N+](=O)[O-])CC1 1588023156 QGMARJHHFPIGQC-KRWDZBQOSA-N 459.503 0.367 5 10 JCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865721116 KAJNXPMUGSQMEF-HNNXBMFYSA-N 472.502 0.145 5 10 JCBE Cc1nncn1C1CCN(C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1869748523 LTCSCWABUOMDNM-UHFFFAOYSA-N 457.491 0.925 5 10 JCBE O=C1Cc2cc(S(=O)(=O)N[C@@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc2N1 1858332483 AXVLTMLHKFTPFA-CYBMUJFWSA-N 466.497 0.831 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)NC(=O)N=c2nc[nH][nH]2)cc1 1858672827 UPSGMRMLTNTUOJ-BJMVGYQFSA-N 471.455 0.975 5 10 JCBE COCCOC(=O)COc1cn(CCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870906392 VINOTKZONRDCPV-UHFFFAOYSA-N 451.432 0.938 5 10 JCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc3nncn3n2)CC1 1873779132 SSSQVLKOTVSKNX-UHFFFAOYSA-N 464.442 0.758 5 10 JCBE CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892275334 SDWSWOORZHGODN-SFHVURJKSA-N 488.588 0.926 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCCc1ccc(O)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792921 NHGAQKQLCSLRRB-LJQANCHMSA-N 472.498 0.977 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870079277 PHWLPBWKWTTZGE-CQSZACIVSA-N 482.519 0.897 5 10 JCBE CSCC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCCN1CCOCC1 1872605454 VKOPPZBWDWKVTG-OAHLLOKOSA-N 460.578 0.833 5 10 JCBE CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605688 CMFUXGHJAQYESL-KRWDZBQOSA-N 470.529 0.862 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 1864948780 LYHGZVJVYKAMMR-GFCCVEGCSA-N 484.391 1.000 5 10 JCBE CN1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518334 FPMNUXWPCXCLKF-UHFFFAOYSA-N 455.523 0.543 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871644647 CNIBAWVFMSZWOP-UHFFFAOYSA-N 458.523 0.992 5 10 JCBE O=C(Nc1nnc(CCC(=O)N2CCN(c3ncccn3)CC2)c(O)n1)c1cccc([N+](=O)[O-])c1 1859134966 YCWHRNJSNQQFRJ-UHFFFAOYSA-N 479.457 0.809 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871643606 KENFBGBDRBDGCE-UHFFFAOYSA-N 487.546 0.535 5 10 JCBE NS(=O)(=O)c1cc2c(cc1Cl)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CNS2(=O)=O 58901778 LYJOQWXZQTXQER-UHFFFAOYSA-N 482.905 0.340 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1cccs1)=C(N)O2 1865723707 CFBSZZSHAGHJRZ-OAHLLOKOSA-N 499.505 0.813 5 10 JCBE COCCN(CCOC)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870078958 LOQPZELWVBSBHO-INIZCTEOSA-N 482.519 0.319 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 1891623707 VPVXJLLYENKEGN-UHFFFAOYSA-N 462.426 0.515 5 10 JCBE COc1ccc(NC(=O)CN2CCN(c3nc(O)cc(CN4CCOCC4)n3)CC2)c([N+](=O)[O-])c1 1859431568 CFRPVGAAVKKRDO-UHFFFAOYSA-N 487.517 0.692 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCOCCO)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870696405 FKBAICMEYBRENI-UHFFFAOYSA-N 494.501 0.216 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCOCC3)nc(=NCCN3CCOCC3)[nH]2)ccc1Cl 1871575665 LRPLTYZUJLFEMI-UHFFFAOYSA-N 464.914 0.601 5 10 JCBE CN(C)CCN(C(=O)NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 217307009 AUFBFUJIGTYLGR-HNNXBMFYSA-N 481.531 0.341 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1861129705 KINCSVYTZGQQMV-WAVCKPEOSA-N 461.475 0.705 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858646909 MZVGBAWUROXQBY-UHFFFAOYSA-N 477.499 0.578 5 10 JCBE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865727636 XCJRUYYIBQSEPG-BMIGLBTASA-N 487.469 0.373 5 10 JCBE Cc1ccnc(N=c2ccc(N3CCN(C(=O)c4cc([N+](=O)[O-])c(=O)n(C)c4)CC3)n[nH]2)c1 1890693686 AZTILOQLUYDBKH-UHFFFAOYSA-N 450.459 0.915 5 10 JCBE CC(=O)N1CCN(C(=O)Cn2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)CC1 96203422 CQRDTNBBAYKYAZ-UHFFFAOYSA-N 451.439 0.751 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCc3ccc(F)cc3)[nH]2)c1 1871520581 OYEWIKPUUFGMEO-UHFFFAOYSA-N 457.466 0.952 5 10 JCBE CCOCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574691 VEFFRPOECDMICO-UHFFFAOYSA-N 480.957 0.973 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871705664 OXIRKMKRJUPPSY-UHFFFAOYSA-N 474.522 0.652 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721286 OOROBJHGFTTWME-HNNXBMFYSA-N 481.469 0.090 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 1867831722 JDRKIJRBSUQJAQ-LJQANCHMSA-N 487.425 0.770 5 10 JCBE CN1CCN(c2nc(NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1869957627 AXQYCWGHGJZXQY-UHFFFAOYSA-N 456.463 0.490 5 10 JCBE CSCC[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868870590 FULUPYNTSYEDFG-QGZVFWFLSA-N 472.589 0.916 5 10 JCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867799732 JVWHJZSOYMIAOU-KRWDZBQOSA-N 472.502 0.572 5 10 JCBE CC(=O)NCCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521600 NHRRGGVZQRKBLG-UHFFFAOYSA-N 466.502 0.914 5 10 JCBE CC(=O)NCCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872623140 HXYFPBKSNDNLBJ-SFHVURJKSA-N 452.464 0.876 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2C=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2333320758 LPLDMUGULFEJJK-PKRADWSKSA-N 483.382 0.479 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cc2[N+](=O)[O-])CC1 1147530773 WWJHZYXFKZUJLX-UHFFFAOYSA-N 458.475 0.420 5 10 JCBE Cc1nnc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)n1C 1869753654 KFHVRXPTVHIFHR-OAHLLOKOSA-N 486.533 0.335 5 10 JCBE COCCNC(=O)COc1cn(CCNC(C)=O)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870969778 YQTRGSMZRYXFTO-UHFFFAOYSA-N 475.502 0.955 5 10 JCBE COCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860798 PLYMQBYAIXFGTM-OAHLLOKOSA-N 450.473 0.389 5 10 JCBE CS(=O)(=O)N1CCN(c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2[N+](=O)[O-])CC1 1860907871 GZKZMNGQDHQMKJ-UHFFFAOYSA-N 475.531 0.429 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1867235365 RFIFASUFBGOTBB-HNNXBMFYSA-N 452.445 0.289 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCN3CCCC3)[nH]2)c1 1871521917 ZMIRUMLVMMKROA-UHFFFAOYSA-N 485.593 0.769 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708507 PFMCMLNJVVIHCZ-UHFFFAOYSA-N 460.495 0.133 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1873693045 HRORWLMYFYZYJE-MRXNPFEDSA-N 493.476 0.472 5 10 JCBE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858327613 RQJYJDKGNTYYBL-LBPRGKRZSA-N 482.496 0.781 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C1 1865736417 MBWPIPRUFUOIDV-DOMZBBRYSA-N 455.471 0.945 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791643 QSIYYDJYCVFKGK-DNVCBOLYSA-N 499.524 0.729 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CC(O)C2)nn1-c1ccccc1 1869999152 BPIAZBUAUBRVSB-UHFFFAOYSA-N 463.410 0.591 5 10 JCBE CCN(CCO)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576216 JYYLWGCHWKMGPT-UHFFFAOYSA-N 480.957 0.973 5 10 JCBE COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1C 106763427 UCOKYPDJRNYYTK-UHFFFAOYSA-N 483.503 0.826 5 10 JCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865620147 GJDVVVUMUFVQKG-QGZVFWFLSA-N 456.459 0.728 5 10 JCBE COC(=O)[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2333320757 LPLDMUGULFEJJK-JGLNRKDHSA-N 483.382 0.479 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1749885246 SPCIJFRRYDYCEP-IBGZPJMESA-N 491.574 0.641 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881947 UPJYUUBKKLSWAO-QGZVFWFLSA-N 485.588 0.474 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(CO)CC3)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869979845 BDQKDBIBVXOPLU-INIZCTEOSA-N 478.531 0.737 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccc(O)cc3)[nH]2)cc1[N+](=O)[O-] 1871708454 NCPFIIDZDHIGMJ-UHFFFAOYSA-N 471.474 0.485 5 10 JCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873779795 DUXZNLGFDWEOEF-UHFFFAOYSA-N 464.442 0.986 5 10 JCBE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 1083805611 AGWYHLDAEVAMEC-HZKQSDJQSA-N 496.425 0.408 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820607 FJRJHVVNNQLYPW-DOMZBBRYSA-N 472.476 0.233 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1867832268 AXIQEBTZNXFIKR-KRWDZBQOSA-N 466.495 0.126 5 10 JCBE O=C(N=c1nc(N2CCC(O)CC2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870062935 XUUONJYNBUZRKJ-AWEZNQCLSA-N 450.477 0.181 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619210 CKVMQILQRXVNGH-UHFFFAOYSA-N 499.576 0.342 5 10 JCBE NS(=O)(=O)c1cc2c(cc1Cl)N(C(=O)Cc1ccccc1[N+](=O)[O-])CNS2(=O)=O 58901892 TZOXXWFTGLWXGT-UHFFFAOYSA-N 460.877 0.721 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCN=c2ccc(=Nc3cccnc3)[nH][nH]2)cc1[N+](=O)[O-] 585188114 PXVTXUGEUDIRCI-UHFFFAOYSA-N 474.459 0.974 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1873017661 XZTJIRSFBZRBPA-GOSISDBHSA-N 472.546 0.174 5 10 JCBE Cn1cc(-c2cncc(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)n2)cn1 1892017659 FVFAAKHENRRCAP-UHFFFAOYSA-N 476.453 0.730 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCCc1ncc2ccccn12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791160 COLAEGWYLSAUGG-IBGZPJMESA-N 496.524 0.919 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 1873725947 LNHKXHQCOPVYPH-UHFFFAOYSA-N 451.395 0.401 5 10 JCBE CN(C)CCN(C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 1859463810 VQJSEUYPFJYEBE-ZDUSSCGKSA-N 452.489 0.158 5 10 JCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 1867359993 GUNMRJRTECJDEI-JTSKRJEESA-N 459.455 0.653 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCn2c(O)nc3ccccc32)c([N+](=O)[O-])cc1OC 1867806908 OTSWNKKHBLFILV-AWEZNQCLSA-N 473.442 0.574 5 10 JCBE CCCCN(CCO)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1869992330 FCBNEIAMBJVCAI-UHFFFAOYSA-N 459.463 0.947 5 10 JCBE CNC(=O)COc1cn(C[C@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870569215 TXXVDSRVPPDOMO-INIZCTEOSA-N 459.503 0.584 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793474 SFTPMBLCPQNAII-WMLDXEAASA-N 464.500 0.433 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 1867795980 BGEUELWXACOIEC-OAQYLSRUSA-N 485.497 0.927 5 10 JCBE CCN(CC)CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576198 JOILHQOFOXANFY-UHFFFAOYSA-N 482.973 0.955 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCOC(C)C)[nH]2)cc1[N+](=O)[O-] 1871620885 DMZZPTXGQZXXQA-UHFFFAOYSA-N 463.539 0.948 5 10 JCBE CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606216 RJUPAOULTGJDSP-UHFFFAOYSA-N 456.502 0.616 5 10 JCBE Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 1861010622 MQAFNLYYSSMRIP-MRXNPFEDSA-N 477.499 0.231 5 10 JCBE C[C@H](O)CN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863595919 GTDZWVGVVWFQJY-LBPRGKRZSA-N 460.468 0.493 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)ccc21 47163970 SSUBITMISMMPAA-UHFFFAOYSA-N 459.484 0.932 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCC(=O)O)cc2)c1 1858650658 MAYVSVKOMHQXIJ-UHFFFAOYSA-N 480.455 0.996 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)ccc1[N+](=O)[O-] 1858660832 POJWEKWLSXOYQR-UHFFFAOYSA-N 477.499 0.837 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccco1)=C(N)O2 1865717312 TUZXSGWHBHPIIG-AWEZNQCLSA-N 453.411 0.596 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867348035 HQPJSOKYGDAKOG-MRXNPFEDSA-N 484.918 0.776 5 10 JCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 1867360663 ODPZBWYZJTZVQV-NHCUHLMSSA-N 472.498 0.884 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870051367 GGVCHPZNMNLKJI-GFCCVEGCSA-N 498.518 0.634 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870061498 AEVZHHXISZIWFD-LBPRGKRZSA-N 495.474 0.668 5 10 JCBE CN1CCC[C@H](C(=O)Nc2nnc(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(O)n2)C1 1859094247 WCFBTZACTUDFEH-AWEZNQCLSA-N 472.506 0.927 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867795321 HURZNDJUFQGLAU-SJORKVTESA-N 451.524 0.105 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCc3cnc[nH]3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519985 FOYYOGXJBMPLLU-UHFFFAOYSA-N 452.479 0.447 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871706696 AMZHJYYULSANSJ-INIZCTEOSA-N 472.506 0.635 5 10 JCBE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)N2CCC[C@H](CO)C2)cc1[N+](=O)[O-] 1860873706 PQYZDSIYZODBDR-HNNXBMFYSA-N 456.521 0.636 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCc3cnc[nH]3)[nH]2)c1 1871519773 CQWDITRDJZINMO-UHFFFAOYSA-N 488.516 0.862 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccccn3)[nH]2)cc1[N+](=O)[O-] 1871705386 HCZWIERELGLVJD-UHFFFAOYSA-N 481.517 0.497 5 10 JCBE CCN1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871706399 AWHIZTDGVDLAMU-UHFFFAOYSA-N 487.565 0.262 5 10 JCBE O=C([C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCCC1 1892246908 QUVHREZMXIWVDG-RTBURBONSA-N 480.543 0.988 5 10 JCBE O=C(OCC(=O)N1CCc2ccccc21)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 3307444 VYWBQHLPMPVAMX-MAUKXSAKSA-N 475.479 0.851 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619213 CMBKNAUQICFPAO-UHFFFAOYSA-N 499.576 0.375 5 10 JCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 1858975357 XYGICFFHLHSDQM-UHFFFAOYSA-N 490.542 0.718 5 10 JCBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCN2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793623 KRPNBCHEZYNKLI-YJBOKZPZSA-N 465.463 0.225 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@@H](O)CN1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867785494 ULVGXWRSSBWNNC-RTBURBONSA-N 477.562 0.639 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867847549 DMIWIRPKHCNYIX-KRWDZBQOSA-N 485.453 0.603 5 10 JCBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCCC3=O)[nH]2)cccc1[N+](=O)[O-] 1871641630 XCTRTFFFYFYYRT-UHFFFAOYSA-N 456.507 0.937 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1872945809 CFWMVAZJRLRJEA-MAUKXSAKSA-N 478.527 0.808 5 10 JCBE COC(=O)[C@]1(Oc2cccnc2[N+](=O)[O-])OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 222092497 QQVLBWOCSQUFMK-KRXQYRFLSA-N 456.360 0.063 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858975663 BOTFYHONOOECRL-UHFFFAOYSA-N 477.499 0.691 5 10 JCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2C[C@H](C)O)CC1 1870397565 KFCIVPFGJKPOFK-INIZCTEOSA-N 487.513 0.819 5 10 JCBE CCN(CCO)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706827 CBKRXAZHLSXHKK-UHFFFAOYSA-N 492.518 0.302 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 44170373 HANQNSOXWBEEGZ-PXTPFGJHSA-N 468.415 0.630 5 10 JCBE CNC(=S)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858662247 ZYQRVLJKUHDORP-UHFFFAOYSA-N 493.571 0.804 5 10 JCBE O=C1CC[C@H](N2Cc3c(NC(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cccc3C2=O)C(=O)N1 1859474719 OURWQWNCVAULEH-INIZCTEOSA-N 491.416 0.591 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732884 SGOKCHPZQSDFBY-RWSFTLGLSA-N 487.469 0.028 5 10 JCBE Cn1c(CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 1867911853 NHRMJYZGRINUFD-INIZCTEOSA-N 459.846 0.902 5 10 JCBE CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 253490691 JSZMFYPHPTWSTF-CXMBCZLWSA-N 465.463 0.158 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN(C)C)=C(N)O2 1864891491 LOYUKJPFDIKQCW-QGZVFWFLSA-N 458.475 0.780 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1865714916 UPYZSGHZKXCWLE-KRWDZBQOSA-N 493.476 0.751 5 10 JCBE CCc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 1867234547 GNMQBNNSNKHYKB-MRXNPFEDSA-N 450.473 0.842 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867794980 BFZALEADILQWDW-QGZVFWFLSA-N 493.542 0.148 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1869958547 CYSYALCIHZQZPD-LBPRGKRZSA-N 488.910 0.243 5 10 JCBE CC(=O)NCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CC(O)C1 1870590343 SNGYSQCZFMCMSC-UHFFFAOYSA-N 474.470 0.515 5 10 JCBE O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1 17120956 RMYYPCIAJWYVHZ-ABYLEIOUSA-N 499.398 0.755 5 10 JCBE O=c1cc(CN(CCO)CCO)n(CCOCCO)cc1OCc1ccc([N+](=O)[O-])cc1 1870684885 CBEDNEWZWWJHJP-UHFFFAOYSA-N 451.476 0.131 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865736672 FFBYAGHVTSOQQG-OAHLLOKOSA-N 473.486 0.308 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCc2nn3c(C)nnc3s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820148 BGUSQWBXYQCDSM-GFCCVEGCSA-N 478.447 0.069 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)cc1[N+](=O)[O-] 1869805494 GYGVMFAUIWCQHD-GFCCVEGCSA-N 460.451 0.715 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705481 LGNAHDXDWWJGNN-OKILXGFUSA-N 463.495 0.410 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871708603 SVYSEEQSGYZWCL-UHFFFAOYSA-N 462.467 0.059 5 10 JCBE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cc([N+](=O)[O-])c(=O)n(C)c5)CC4)ncnc32)cc1 1891799323 WARFLGQXTKMAJQ-UHFFFAOYSA-N 491.468 0.788 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1861027865 HQPJMLHOSBVKEK-CQSZACIVSA-N 469.882 0.959 5 10 JCBE NC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861029376 XDNSGEQPQUOQCH-OAHLLOKOSA-N 497.917 0.228 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@H](CO)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn12 1867912446 WTTHMZBOXIJHOY-LBPRGKRZSA-N 453.868 0.505 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccncc1)=C(N)O2 1865715482 BGQZFRONYQUPBF-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 1867884450 WCZNLYQKJQESTE-INIZCTEOSA-N 455.943 0.871 5 10 JCBE COc1cc(C(=O)Nc2nc(N(C)C)nn2[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869964273 LCXLDAISNMVCJB-JTQLQIEISA-N 454.465 0.881 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1872628772 OZQKUEFREXREAO-UHFFFAOYSA-N 462.419 0.237 5 10 JCBE CN(C[C@@H](O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1868046351 SAVTZIXTCHTYJH-KRWDZBQOSA-N 478.527 0.843 5 10 JCBE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 1690863507 FYHCHAMMTCQETJ-JXFKEZNVSA-N 484.561 0.930 5 10 JCBE COCCN(C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 1859461927 DDCTZSLLISHRDP-CYBMUJFWSA-N 453.473 0.633 5 10 JCBE COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc(C(=O)OC)c1 1860742217 AZNYVNUBKJSZPR-UHFFFAOYSA-N 471.426 0.850 5 10 JCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(C)nn3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 1865586449 QOPYXZMUWPZAHU-LJQANCHMSA-N 498.496 0.793 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1 1891979297 FXBACLFWWGFPNE-AWEZNQCLSA-N 466.397 0.676 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@H](C)C(=O)O)cc2)cc1[N+](=O)[O-] 1858647376 BOKQCKCKNSFTFR-LLVKDONJSA-N 480.455 0.994 5 10 JCBE C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869835036 LTMPDRLPLXUHPE-HNNXBMFYSA-N 481.937 0.760 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2ccc([N+](=O)[O-])nc2)c1I 2080344947 UXTMBMNWAUJSOT-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)c1 1858662033 XUDKRHLJPZQHQA-UHFFFAOYSA-N 480.455 0.948 5 10 JCBE O=C1CC[C@H](N2Cc3c(NC(=O)CN4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cccc3C2=O)C(=O)N1 1859475231 ZZBNZXCDNRKYCM-KRWDZBQOSA-N 491.416 0.591 5 10 JCBE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)sc(C(N)=O)c1C 1860767069 GLOWJDXKGFMQRJ-UHFFFAOYSA-N 490.498 0.923 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2nccc(N3CCOCC3)n2)CC1 1891332081 XYUOWQCIOOGECS-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCCC1)=C(N)O2 1865730515 RCHHNTUFRAILFA-CQSZACIVSA-N 457.443 0.405 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCC[C@@H](O)CN1CCCCC1 1867781605 DXZBGXIUHJOVML-GOSISDBHSA-N 463.535 0.514 5 10 JCBE CN1CCC[C@H]1C(=O)Nc1nnc(CCC(=O)NCCNc2ccccc2[N+](=O)[O-])c(O)n1 1859059072 DUXVCLVNFPSRKA-INIZCTEOSA-N 458.479 0.679 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820918 HVOZGWANYDCLAY-HNNXBMFYSA-N 460.399 0.932 5 10 JCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCO)C(=O)[C@H]32)cc1 247855439 UAINTZMVYRKGGT-FVJVTNMWSA-N 497.460 0.685 5 10 JCBE CC[C@@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881271 CWDBTQUNNVUDLU-QGZVFWFLSA-N 455.537 0.468 5 10 JCBE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867357910 NUVHHYPGTSUPHD-WMLDXEAASA-N 464.500 0.511 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797075 XXYSNHRPKBCRCT-QGZVFWFLSA-N 478.527 0.862 5 10 JCBE CN1CCC[C@@H](C(=O)Nc2nnc(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(O)n2)C1 1859094248 WCFBTZACTUDFEH-CQSZACIVSA-N 472.506 0.927 5 10 JCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1873787624 OVQDZCKXIIVJFZ-UHFFFAOYSA-N 478.531 0.918 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)cc1[N+](=O)[O-] 1858674520 CGKWUXYPIYJLIQ-UHFFFAOYSA-N 475.443 0.584 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860895356 WUWMBKZLPVXMAX-UHFFFAOYSA-N 459.425 0.556 5 10 JCBE CCc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 1867234546 GNMQBNNSNKHYKB-INIZCTEOSA-N 450.473 0.842 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845308 HBLQXNIQOIOGAW-QAPCUYQASA-N 462.415 0.761 5 10 JCBE CCN1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871577940 ILAVCJLMUFCGHX-UHFFFAOYSA-N 466.930 0.583 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 1891985049 OCNSJEHRRDDUIH-UHFFFAOYSA-N 494.443 0.650 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860866363 DMKNWUSWKKGZLX-FQEVSTJZSA-N 461.519 0.173 5 10 JCBE CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 1860902350 RKJXBPHVQYFURR-HXUWFJFHSA-N 474.562 0.400 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCOCC1)=C(N)O2 1865583567 AATMHHFIRNLCIB-QGZVFWFLSA-N 457.443 0.961 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCc2cn3ccsc3n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822374 WCPJPVMXCWKDHL-CQSZACIVSA-N 462.444 0.970 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871643452 HMFVXONDCPWMQZ-UHFFFAOYSA-N 488.530 0.744 5 10 JCBE CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccccc1[N+](=O)[O-] 1083817488 HANQNSOXWBEEGZ-HVTWWXFQSA-N 468.415 0.630 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865719277 WUPBOAXPPQLNRI-OAHLLOKOSA-N 473.486 0.618 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869952498 FOVDFILUSQVXSE-CYBMUJFWSA-N 495.474 0.851 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870697000 SWPBCQIJNWFLTG-CYBMUJFWSA-N 462.459 0.340 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871620394 DCRYMGXVYJEVIJ-UHFFFAOYSA-N 463.539 0.685 5 10 JCBE COc1ccc2nnc(CNC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2n1 1892055299 QTLCLWPMWLLMLR-HNNXBMFYSA-N 475.487 0.901 5 10 JCBE O=C(NCCNC(=S)N1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586416057 DEEIOZPIXAXRKA-UHFFFAOYSA-N 460.476 0.720 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCn1c(=O)c(=O)[nH]c2cc(Cl)ccc21 1873716153 QHSLMVXGKPNHCI-UHFFFAOYSA-N 471.813 0.664 5 10 JCBE C[C@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1 1867834272 RUJQGGSNLRMXET-YVEFUNNKSA-N 460.447 0.731 5 10 JCBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632178 LFJATESIEWOBQB-GFCCVEGCSA-N 456.502 0.268 5 10 JCBE O=C(NC[C@H](O)Cn1ccccc1=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892103159 VGHRIGPXEBUOBW-WMZOPIPTSA-N 464.500 0.477 5 10 JCBE COCCN(CCOC)C(=O)CCc1nnc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1O 1860896466 QSQYWDAVPCREHO-UHFFFAOYSA-N 478.462 0.800 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 1861809611 OXIQSHMKUWIYRE-RHSMWYFYSA-N 463.447 0.516 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865716381 YXSKFZRAPJNGTL-CQSZACIVSA-N 459.459 0.228 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865738959 ZNZFMENXHMBLKX-HNNXBMFYSA-N 473.486 0.308 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867822039 SMISOSHPWOQISN-AWEZNQCLSA-N 476.398 0.633 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 1890704996 HJPXRTDLEZSOTJ-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865722505 SVWLVWCLXBUJQV-CQSZACIVSA-N 459.459 0.230 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C1 1865735819 CXEXUZNGWSFFQH-DOMZBBRYSA-N 455.471 0.945 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791441 DVRJEFDPBVBQQU-NQIIRXRSSA-N 490.488 0.901 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H](O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793473 SFTPMBLCPQNAII-RHSMWYFYSA-N 464.500 0.433 5 10 JCBE O=C(COc1cn(C[C@@H]2CCCO2)c(CN(CCO)CCO)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397864 WTKSPQXZXHIOOY-FQEVSTJZSA-N 490.513 0.740 5 10 JCBE CCc1nn(CC)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCO)=C(N)O2 1864894732 NJUJJZSPQHKTMR-INIZCTEOSA-N 459.459 0.948 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832459 DFCUBSBWOUHMQE-IAGOWNOFSA-N 473.398 0.735 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1867781563 DEGLWEQKPUICGS-UHFFFAOYSA-N 476.578 0.694 5 10 JCBE COc1cc(C(=O)N[C@@H](C)C(=O)NCCc2nn3c(C)nnc3s2)c([N+](=O)[O-])cc1OC 1867794361 KNWARWGNFRGGNU-VIFPVBQESA-N 463.476 0.897 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821187 KJYMPDLPBRJSOJ-AEFFLSMTSA-N 462.415 0.761 5 10 JCBE CCOCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619884 JUAMKHLVEYWSAU-UHFFFAOYSA-N 474.566 0.882 5 10 JCBE COCCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873599354 PGDLLNPSIMXBNQ-UHFFFAOYSA-N 470.486 0.556 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858986566 RSNBMRWQSIMSAU-UHFFFAOYSA-N 478.483 0.911 5 10 JCBE COCCNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1859567890 GJPUFLHELOJPNX-UHFFFAOYSA-N 462.440 0.754 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848808 OFSBJQQGFOFZFS-CYBMUJFWSA-N 499.502 0.458 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCc3ccc(F)cc3)[nH]2)cc1[N+](=O)[O-] 1871707196 QTNIOYYIFWNIAS-UHFFFAOYSA-N 487.492 0.961 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865720405 ACTCNIORELTXLU-MRXNPFEDSA-N 486.529 0.535 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867822394 WHCBSMJIQRUYDU-CQSZACIVSA-N 499.502 0.458 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784901 QRJJSCIQDHESFP-NVXWUHKLSA-N 482.559 0.617 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCn2c(O)nc3ccccc32)cc1[N+](=O)[O-] 1867797029 XDMNYTHKXMYFLH-OAHLLOKOSA-N 456.459 0.623 5 10 JCBE O=C(N=c1nc(N2CCC(CO)CC2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1869981862 FIPLACZACAWLRT-MRXNPFEDSA-N 464.504 0.429 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 1890704607 IZUYPLDFJOAIRQ-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 15671363 YUCCZEOONZGEBZ-UHFFFAOYSA-N 461.548 0.956 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1869959028 KPJOUFKOLBDKTH-LBPRGKRZSA-N 488.910 0.243 5 10 JCBE C[C@@H](O)CN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519731 BKYINCIFTFIHMD-OAHLLOKOSA-N 451.491 0.882 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)c3ccccn3)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860901476 BBNZRBWBLYGLJN-UHFFFAOYSA-N 468.514 0.702 5 10 JCBE COCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865715466 ARGXXEUVZCSSCD-GFCCVEGCSA-N 465.850 0.103 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3cccnc3)[nH]2)ccc1Cl 1871575798 QJQSFTVPCHOVAE-UHFFFAOYSA-N 460.882 0.819 5 10 JCBE CN(C)CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577871 FGYORMJKCFJCQV-UHFFFAOYSA-N 465.946 0.108 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871621842 RUZFZZZHNTWUGI-UHFFFAOYSA-N 480.533 0.841 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCC(C(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934278 GQOAWCAIGLBHBJ-IRXDYDNUSA-N 492.554 0.798 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867359674 RXYBGKAEFZJGPP-HZPDHXFCSA-N 484.556 0.963 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CC(O)C3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870003311 HZJQOIREXISNRR-LLVKDONJSA-N 481.447 0.196 5 10 JCBE O=C([C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCOCC1 1892243545 QWIGAAUHUCHBCX-LPHOPBHVSA-N 480.543 0.845 5 10 JCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(C)CC1)=C(N)O2 1865585472 MZJFZQOUNFDAIU-SFHVURJKSA-N 470.486 0.877 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccccn1)=C(N)O2 1865716805 JFTQKIXVVNMECI-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865731897 AVBHFPLKSLBOCV-XHDPSFHLSA-N 471.470 0.793 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCc2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 1867848385 XRJJESITBZZGOO-LLVKDONJSA-N 478.447 0.069 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1C[C@H](C)O 1870697013 UGJDFGMEIJPRET-HNNXBMFYSA-N 478.502 0.978 5 10 JCBE C[C@@H](O)CN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863595918 GTDZWVGVVWFQJY-GFCCVEGCSA-N 460.468 0.493 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1867807018 QTXJFFJIKPHTHQ-GXTWGEPZSA-N 473.504 0.034 5 10 JCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)O 1858646982 PRUGXLWYCYRCHQ-LBPRGKRZSA-N 464.456 0.915 5 10 JCBE CN(C)c1ccc2nnc(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)n2n1 1860386867 NEYPWENVGTWLHO-KGLIPLIRSA-N 452.475 0.839 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccco1)=C(N)O2 1865716945 LXZAJXLOORTSMA-CQSZACIVSA-N 469.410 0.302 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867787586 NFRUOBBZPLQLGP-AWEZNQCLSA-N 499.571 0.250 5 10 JCBE CN(C)CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576432 SBIJMHIRUCGJLD-UHFFFAOYSA-N 454.919 0.175 5 10 JCBE NC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861029375 XDNSGEQPQUOQCH-HNNXBMFYSA-N 497.917 0.228 5 10 JCBE C[C@@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870397606 LUWSXLFZKGJGBW-QGZVFWFLSA-N 489.529 0.265 5 10 JCBE CNC(=O)COC(=O)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C 13778843 CIJBVJPZIJHFJD-QGZVFWFLSA-N 458.493 0.341 5 10 JCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1867360693 OMQSLBBENGZIOB-SFHVURJKSA-N 464.500 0.806 5 10 JCBE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCO)CC1 1870398400 PORNIBJYRFBRDZ-UHFFFAOYSA-N 459.503 0.904 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871705714 QPTOANCIYFGIOM-UHFFFAOYSA-N 482.505 0.287 5 10 JCBE COCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10403517 PLYMQBYAIXFGTM-LLYBFZRZSA-N 450.473 0.389 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865736783 GRTUNAXRRCSUAX-MRXNPFEDSA-N 484.513 0.241 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869947272 XTTAPRKXUCJUKJ-INIZCTEOSA-N 491.530 0.396 5 10 JCBE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)s1 1858338709 IQBDYWSHXTWZPL-SNVBAGLBSA-N 476.518 0.146 5 10 JCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCC[C@@H](O)CN1CCCCC1 1867782904 XQQYZMXXVGXDAA-PKOBYXMFSA-N 477.562 0.903 5 10 JCBE CCN1CCN[C@H](C(=O)c2ccc(N3CCN(C(=O)c4cnccn4)CC3)c([N+](=O)[O-])c2)C1 1860876319 DCFLNFOOTFOCSQ-SFHVURJKSA-N 453.503 0.824 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871707548 XSIFXIOVJDMYDA-ZDUSSCGKSA-N 461.479 0.512 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc5c(c4)OCCO5)[nH]3)CC2)cc1 1871713328 SKNMVNSNMFWKNY-UHFFFAOYSA-N 494.512 0.869 5 10 JCBE O=C1CO[C@H](C2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1 1892110758 DIHFGPDRFNZPBM-MOPGFXCFSA-N 480.543 0.892 5 10 JCBE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCNC=O)=C(N)O2 1864948057 HUYBCROKGBCDDM-MRXNPFEDSA-N 458.475 0.933 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccccn1)=C(N)O2 1865717280 SIDMWDDVPYUGIE-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC(Oc2ccc(C(=O)N3CCOCC3)cc2)C1 1869881288 OUADKFAXNLMGRL-UHFFFAOYSA-N 494.460 0.953 5 10 JCBE CN1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCOCCO)CC1 1870397967 AOTOQPGCSHRQFK-UHFFFAOYSA-N 489.529 0.530 5 10 JCBE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncnc5[nH]cnc45)CC3)CC2=O)cc1[N+](=O)[O-] 1872960334 BUPXFRFCQITUQN-ZDUSSCGKSA-N 466.458 0.971 5 10 JCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCOCC1)=C(N)O2 1865583566 AATMHHFIRNLCIB-KRWDZBQOSA-N 457.443 0.961 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccc(O)cc3)[nH]2)c1 1871521866 YFMUMSXHQSCFKF-UHFFFAOYSA-N 466.502 0.799 5 10 JCBE NCCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O 22066464 OAFPVFZXWPVEBS-PSLQGDIJSA-N 461.504 0.658 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867829393 FGVNDHRNPCPZQB-MRXNPFEDSA-N 495.470 0.031 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867835047 ZJLRBLOYYAYLCC-INIZCTEOSA-N 481.443 0.152 5 10 JCBE Cc1ccc(CNC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 58837684 MSKFEUSYGOFZOK-UHFFFAOYSA-N 489.554 0.642 5 10 JCBE CN(C)C1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870044143 MBMJUSBWAGXRQL-KRWDZBQOSA-N 477.547 0.751 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2cncc([N+](=O)[O-])c2)c1I 2080344217 FTAVNOROUROOGF-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCN2CCCC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793914 MJCZYWYGQABCKZ-WMLDXEAASA-N 463.447 0.516 5 10 JCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN(C)C)=C(N)O2 1864891490 LOYUKJPFDIKQCW-KRWDZBQOSA-N 458.475 0.780 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 1865621968 VJDATPFRNHINBA-GOSISDBHSA-N 472.502 0.656 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCn2c(O)nc3ccccc32)c([N+](=O)[O-])cc1OC 1867806909 OTSWNKKHBLFILV-CQSZACIVSA-N 473.442 0.574 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822387 WGIKQEKMJBVNRQ-INIZCTEOSA-N 495.470 0.460 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(C)CCO 1870398803 YZKQCPJPALPHNS-UHFFFAOYSA-N 461.475 0.334 5 10 JCBE O=C1CN(C(=O)c2ccc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)CCN1 1873746220 NFXWRSNXJDKLOT-UHFFFAOYSA-N 465.422 0.792 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 96077813 UPRXFWNZWWKSQU-CNMWIUBYSA-N 455.372 0.667 5 10 JCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 1867360665 ODPZBWYZJTZVQV-SFTDATJTSA-N 472.498 0.884 5 10 JCBE CC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1869946671 MKOSGATYAZUKPT-INIZCTEOSA-N 491.530 0.197 5 10 JCBE CC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1869946672 MKOSGATYAZUKPT-MRXNPFEDSA-N 491.530 0.197 5 10 JCBE CC(=O)NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(C[C@@H](C)O)C2=O)cc1 1863230742 NGHHZHDKYXJIJT-GFCCVEGCSA-N 488.478 0.992 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 1867831721 JDRKIJRBSUQJAQ-IBGZPJMESA-N 487.425 0.770 5 10 JCBE CCCCN(CCO)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707199 QUXOSINHBPOURA-UHFFFAOYSA-N 490.565 0.719 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934227 FWBBSLJXCPZDIT-LJQANCHMSA-N 487.557 0.943 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 1891985143 RUMANXAIDRXIST-UHFFFAOYSA-N 494.443 0.650 5 10 JCBE O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 33415344 DZUSNOPVGIMEFW-AGTIVXHFSA-N 491.522 0.840 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867795612 MTDWFWZXAHLIMC-DLBZAZTESA-N 471.470 0.893 5 10 JCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 2318707970 PAXWYJUCKVUALC-UHFFFAOYSA-N 486.470 0.412 5 10 JCBE CC(=O)N1CCN(C(=O)c2ccc(N3CCN(C(=O)c4cnccn4)CC3)c([N+](=O)[O-])c2)CC1 1860876915 PSUHDSVAAHFPHF-UHFFFAOYSA-N 467.486 0.652 5 10 JCBE CN(C)[C@H](CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867834880 XRKHCRSMOFTCEV-IAGOWNOFSA-N 489.441 0.742 5 10 JCBE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2C1=O 1869530279 QPFGCKMVTJTBKO-LLVKDONJSA-N 466.406 0.983 5 10 JCBE CCN1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870043667 BWQMNOLIHSIAKF-MRXNPFEDSA-N 463.520 0.362 5 10 JCBE COC(=O)COc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870449002 SWKJMDBFBFBLME-UHFFFAOYSA-N 490.513 0.639 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCC(C(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934276 GQOAWCAIGLBHBJ-DLBZAZTESA-N 492.554 0.798 5 10 JCBE Cn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873543081 AVEKKEBCUVMEFD-UHFFFAOYSA-N 494.556 0.953 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1cccnc1)=C(N)O2 1865716938 LRPRPGLLLMUEDT-HNNXBMFYSA-N 480.437 0.104 5 10 JCBE CC(=O)N1CCN(c2nc(=NC[C@@H]3CCCO3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871642400 VYHGIBZWUKUNIZ-INIZCTEOSA-N 456.507 0.935 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)cc2[N+](=O)[O-])CC1 1436289989 LIMMYRLJRNWBFR-LJQANCHMSA-N 450.517 0.913 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCC(O)(COCCO)CC3)cc2[N+](=O)[O-])CC1 1471935417 MTFMQPRQNYQEPT-UHFFFAOYSA-N 450.492 0.239 5 10 JCBE CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C(=O)NCC(=O)NCC(=O)O 1860758379 FMWOYTBJRTYAJR-UHFFFAOYSA-N 478.439 0.756 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867800522 WUXAFCLVUYKTID-GOSISDBHSA-N 469.498 0.453 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871619340 IUUUTHKHOBXKPH-UHFFFAOYSA-N 482.549 0.422 5 10 JCBE COCCN(CCOC)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706603 JPWLLGVOKVOQRZ-UHFFFAOYSA-N 487.521 0.853 5 10 JCBE CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872631718 DWCLRXSLCJVZPY-SFHVURJKSA-N 484.556 0.904 5 10 JCBE CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 1596096132 JWXVPLRHROFUCC-UHFFFAOYSA-N 465.536 0.803 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620891 QSWIDUSCXWUFPU-UHFFFAOYSA-N 488.530 0.874 5 10 JCBE O=C1C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCn1ccnc1 1863594310 LTODIVDZBYUXLU-UHFFFAOYSA-N 454.487 0.883 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867829392 FGVNDHRNPCPZQB-INIZCTEOSA-N 495.470 0.031 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871644700 GFKBLNABGVQLJX-UHFFFAOYSA-N 479.549 0.766 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCC(C(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934277 GQOAWCAIGLBHBJ-IAGOWNOFSA-N 492.554 0.798 5 10 JCBE Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n(C)c1=O 20327569 ULKDFBKMDBPGOI-UHFFFAOYSA-N 461.456 0.453 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccco1)=C(N)O2 1865716944 LXZAJXLOORTSMA-AWEZNQCLSA-N 469.410 0.302 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865737820 QEPYEUUGIZUDPT-HNNXBMFYSA-N 473.486 0.308 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(C(N)=O)CC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870066164 DUFNKJWYLWNYMJ-OAHLLOKOSA-N 491.530 0.230 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NC[C@@H](C)O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871707214 RRFHSUUHCMZHGI-CYBMUJFWSA-N 476.494 0.447 5 10 JCBE COc1cc(C(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC 12165355 AHTDKCMYUSLHNR-UHFFFAOYSA-N 494.530 0.674 5 10 JCBE NS(=O)(=O)c1ccc(CCN2C(=O)C(NCCO)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863594346 MWUJQIZHVFCUHF-UHFFFAOYSA-N 460.468 0.147 5 10 JCBE CCCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864948448 LKCDSSGDZXXDRI-INIZCTEOSA-N 458.475 0.933 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1867807020 QTXJFFJIKPHTHQ-OCCSQVGLSA-N 473.504 0.034 5 10 JCBE COc1ccc(C(=O)Nc2nc(N(C)CCO)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870029189 HDPFZSLCUBKRHB-LBPRGKRZSA-N 454.465 0.235 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871646066 WPKDZHCHKLOLQF-UHFFFAOYSA-N 496.532 0.213 5 10 JCBE NS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 16520543 BIIWYRVRLOMQFT-UHFFFAOYSA-N 483.528 0.187 5 10 JCBE NC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861029511 YPTVNNONELBHJD-AWEZNQCLSA-N 483.890 0.186 5 10 JCBE O=C1CC[C@H](N2C(=O)c3cccc(OCC(=O)Nc4ncccc4[N+](=O)[O-])c3C2=O)C(=O)N1 1865838099 QNYLODAVCJLFMW-LBPRGKRZSA-N 453.367 0.409 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)cc2[N+](=O)[O-])CC1 1436289932 LIMMYRLJRNWBFR-IBGZPJMESA-N 450.517 0.913 5 10 JCBE Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)CC2)cc1 1858623990 XWIMTTYTUROHOO-UHFFFAOYSA-N 475.531 0.821 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821357 LPOUQKAZHNIWRM-WBVHZDCISA-N 467.479 0.255 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NCCS(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 1134191975 IRGNCVWMUHWKRD-UHFFFAOYSA-N 453.521 0.419 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867758133 RFVFBBRFLGDBBH-AWEZNQCLSA-N 484.918 0.776 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788569 HTSLWQZENDQATG-KRWDZBQOSA-N 486.481 0.552 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575232409 MHAQOFAFDHVKQE-HBWRTXEVSA-N 483.382 0.479 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cc2[N+](=O)[O-])CC1 1595925093 IRJIBVNWQXQBJG-GOSISDBHSA-N 459.503 0.773 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 1596282143 DJABAMSSXQFGBF-MRXNPFEDSA-N 470.534 0.684 5 10 JCBE CN1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869961727 YGSIOEGXGSJUEJ-PFWMLDTASA-N 475.531 0.950 5 10 JCBE CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892412120 PUBONADQVWHOSN-KRWDZBQOSA-N 474.561 0.678 5 10 JCBE NC(=O)CSc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2N)s1 59791173 UZNNDKQWVYSBJM-UHFFFAOYSA-N 467.518 0.727 5 10 JCBE COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c34 257552019 UDWUZPSSUIWBKB-DUURLZPPSA-N 462.363 0.031 5 10 JCBE biogenic CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858308996 MBRKXOXNUDFEKJ-CQSZACIVSA-N 460.534 0.146 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832460 DFCUBSBWOUHMQE-IRXDYDNUSA-N 473.398 0.735 5 10 JCBE Cc1c(C(=O)N2CCOCC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 106763418 SXCPDRRXNCZHCS-UHFFFAOYSA-N 495.514 0.922 5 10 JCBE CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 506752859 HSWMIFFXXXKMIR-SFHVURJKSA-N 469.564 0.970 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC(F)(F)CO)CC3)cc2[N+](=O)[O-])CC1 1631470669 JKIUCKBDCFLIJA-UHFFFAOYSA-N 455.462 0.649 5 10 JCBE Cc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864945698 ICYVAYIAKSHGDI-KRWDZBQOSA-N 458.475 0.485 5 10 JCBE CCN(CC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731676 XEQMUQQHUMGUMZ-HNNXBMFYSA-N 487.469 0.326 5 10 JCBE Cc1nc(CCNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cs1 1867791405 DINWECLFXBNJAJ-MRXNPFEDSA-N 463.516 0.646 5 10 JCBE O=C(NCCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1)c1cccc([N+](=O)[O-])c1 1858986575 RXVPSCTVCNKWCU-UHFFFAOYSA-N 461.500 0.871 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870051517 HZSATRCXTZGIND-GFCCVEGCSA-N 483.463 0.525 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCOCCO)[nH]2)ccc1Cl 1871578269 WTNWIRXYTMVXOF-UHFFFAOYSA-N 467.914 0.650 5 10 JCBE CC(=O)OCCn1nc(C(=O)N2CCN(c3nncc(O)n3)CC2)cc1-c1ccc([N+](=O)[O-])cc1 1859419664 RZKKVZMSJRMJHB-UHFFFAOYSA-N 482.457 0.874 5 10 JCBE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891104 CBKKUVAIXXURQV-KRWDZBQOSA-N 472.458 0.355 5 10 JCBE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCO)=C(N)O2 1864947069 PMWQKMDPGCUGQE-QGZVFWFLSA-N 452.427 0.993 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865739600 REPUWFDYWCGWML-INIZCTEOSA-N 484.513 0.239 5 10 JCBE O=C(NCCCNC(=O)N1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586458741 CFINRHRBFGZTSU-UHFFFAOYSA-N 458.435 0.945 5 10 JCBE CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865717727 ARGBBSCLZBBJQX-OAHLLOKOSA-N 487.469 0.374 5 10 JCBE CN(C[C@H](O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1868046431 WKUKJPHKTJVQIJ-OAHLLOKOSA-N 484.556 0.904 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645652 NSSINZJMPCLNAX-UHFFFAOYSA-N 481.399 0.506 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865721634 XYQIMQZAWRNXIP-INIZCTEOSA-N 486.529 0.535 5 10 JCBE O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(CCN2CCOCC2)cc1OCCO 1870365654 WTRAZYRNHOFSQJ-UHFFFAOYSA-N 487.557 0.782 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861800735 FGIKBOYBMMPALZ-UHFFFAOYSA-N 451.417 0.505 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCCC1)=C(N)O2 1865729277 GAWUBCJLDCJTBP-ZDUSSCGKSA-N 461.862 0.963 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865737940 RKVJRKFBTHGNLW-MRXNPFEDSA-N 484.513 0.241 5 10 JCBE O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 2327470861 IPPOAEPVBYZPCM-UHFFFAOYSA-N 471.474 0.206 5 10 JCBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c1 23006373 GWDQARSDCYYHQY-UHFFFAOYSA-N 477.547 0.010 5 10 JCBE NCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@@H](O)[C@@H]1O 96029173 OAFPVFZXWPVEBS-JNNRSPCRSA-N 461.504 0.658 5 10 JCBE COc1cc([C@@H]2N[C@](CO)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)ccc1O 248121116 AVAKAAXHJRWGCL-VWXURSGXSA-N 457.395 0.575 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865734644 NJYBGDKCRCGEGE-OAHLLOKOSA-N 499.480 0.052 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867359672 RXYBGKAEFZJGPP-CVEARBPZSA-N 484.556 0.963 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869947219 VWPLXROAGFSAEM-CQSZACIVSA-N 477.503 0.467 5 10 JCBE O=C(O)CNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1858627101 XUWYQGZCRMQYIK-UHFFFAOYSA-N 491.482 0.948 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccccn1)=C(N)O2 1865717281 SIDMWDDVPYUGIE-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867791744 GSVPSVYVMKRRMZ-GHTZIAJQSA-N 488.497 0.381 5 10 JCBE CN1CCN(c2ccc(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)nn2)CC1 1890641363 LAFCFHUTELFJAP-UHFFFAOYSA-N 494.512 0.081 5 10 JCBE C[C@H](O)CN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863595551 BKQQIRRHFXSAJA-ZDUSSCGKSA-N 474.495 0.535 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCC1)=C(N)O2 1865730289 OYPKYFIHPFABEG-OAHLLOKOSA-N 485.453 0.080 5 10 JCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 1867348742 BQWXLPNYZCNAEM-HNNXBMFYSA-N 484.556 0.963 5 10 JCBE CCN(CCO)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577168 QDZPKTWPXQVHIC-UHFFFAOYSA-N 496.937 0.947 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871707211 RNVLDSKFYAMZTO-UHFFFAOYSA-N 482.505 0.455 5 10 JCBE Cn1cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1=O 1890812176 NDMNCJNGJLBRSI-UHFFFAOYSA-N 458.866 0.881 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@H](C)C(=O)O)cc2)ccc1[N+](=O)[O-] 1858648687 IVMFCSRLRSARIZ-LLVKDONJSA-N 480.455 0.994 5 10 JCBE CN1CCC[C@@H]1C(=O)Nc1nnc(CCC(=O)NCCNc2ccccc2[N+](=O)[O-])c(O)n1 1859059073 DUXVCLVNFPSRKA-MRXNPFEDSA-N 458.479 0.679 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 1865731904 BAPBTOGVQGSQEI-JMSVASOKSA-N 471.470 0.323 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867359673 RXYBGKAEFZJGPP-HOTGVXAUSA-N 484.556 0.963 5 10 JCBE CN(CCO)Cc1cc(=O)c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1CCOCCO 1870589724 FGODBKWFJYMNBM-UHFFFAOYSA-N 479.486 0.635 5 10 JCBE NCCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1O 90610007 OAFPVFZXWPVEBS-AMVTXUCVSA-N 461.504 0.658 5 10 JCBE CCc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)CC2=O)cc1[N+](=O)[O-] 1873017234 MELPBWIJSJOUCO-LJQANCHMSA-N 486.573 0.428 5 10 JCBE COC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)c([N+](=O)[O-])c2)C1 1860908095 PFVKNOUOAHJKGB-OAHLLOKOSA-N 454.505 0.702 5 10 JCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865723178 KKUMQKWCVFLFNN-HNNXBMFYSA-N 472.502 0.145 5 10 JCBE COc1ccc(-n2nc(N(C)CCO)nc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870025653 NSOKQKVUTIZSCP-UHFFFAOYSA-N 495.452 0.847 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521071 CMXMBCHQWOIXGC-UHFFFAOYSA-N 473.494 0.194 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](COc2ccc3nncn3n2)C1 1891680181 MOYSIRRXDJUTCG-LBPRGKRZSA-N 451.399 0.556 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867787067 ABICXTMBIXPHJF-MRXNPFEDSA-N 493.542 0.188 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCNc2ccc(N=c3cc[nH]cc3)nn2)cc1[N+](=O)[O-] 585187492 LLTMJDPITSIHIN-UHFFFAOYSA-N 474.459 1.552 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])nc2O)C1 2327470687 NWFBCAHZTKRMGH-MRXNPFEDSA-N 455.475 0.933 5 10 JCBE CCN1CCN[C@H](C(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)C1 1860878984 MXTNGKDPERLFDI-ICSRJNTNSA-N 458.563 0.814 5 10 JCBE CN1C(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(=NCCN4C(=O)CSC4=O)[nH]3)cc2C1=O 1871307694 SMMYQHXTOIOADH-UHFFFAOYSA-N 457.428 0.883 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621641 NXZJJWNYOYFLFJ-UHFFFAOYSA-N 471.566 0.995 5 10 JCBE CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(CCO)CC2)C1 59422421 YPVGNRPVZCQLFV-GOSISDBHSA-N 497.618 0.978 5 10 JCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867834292 SBTAEYDLXYRMTG-QGZVFWFLSA-N 474.430 0.415 5 10 JCBE Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)c(=N)n(CCCn4ccnc4)c3nc12 100848259 ZQAZVMFLBIHUHI-UHFFFAOYSA-N 490.568 0.786 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 1706002418 CZVLCSAEGRCWLR-INIZCTEOSA-N 470.534 0.684 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)CC1 1722796321 RMGYZJQENRPRIB-UHFFFAOYSA-N 456.507 0.296 5 10 JCBE O=C(O)CN(C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)[C@@H]1CS(=O)(=O)C[C@H]1O 1866313318 MHOBFSJYVGDGKW-IAGOWNOFSA-N 461.448 0.396 5 10 JCBE CN1CCN(c2nc(NC(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C)n2)CC1 1869957802 JPLQTFIMSCTDPR-UHFFFAOYSA-N 456.463 0.490 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1[N+](=O)[O-] 585493463 QUPTXZJFDUQQGQ-UHFFFAOYSA-N 493.502 0.949 5 10 JCBE CCc1nn(C)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865619308 NJKOHRZIXIBTIQ-KRWDZBQOSA-N 456.503 0.722 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C1 1865736418 MBWPIPRUFUOIDV-IUODEOHRSA-N 455.471 0.945 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 1867820077 AEWNLDMFUGWAAK-QGZVFWFLSA-N 480.522 0.434 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102865135 HANQNSOXWBEEGZ-MFKWGIFDSA-N 468.415 0.630 5 10 JCBE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 1860919332 FYALINWGUUYBMV-GQCTYLIASA-N 471.474 0.518 5 10 JCBE CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892412121 PUBONADQVWHOSN-QGZVFWFLSA-N 474.561 0.678 5 10 JCBE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 2053515661 DZUSNOPVGIMEFW-IRLDBZIGSA-N 491.522 0.840 5 10 JCBE Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 585159510 LYICCQUKQAEZQE-UHFFFAOYSA-N 461.548 0.956 5 10 JCBE CN([C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858198479 UFUYMYWNRAYQLG-IAGOWNOFSA-N 474.538 0.855 5 10 JCBE CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858333478 HXMALNIOQHJHRK-AWEZNQCLSA-N 460.534 0.146 5 10 JCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869783060 HCONDFFKGCOACG-OAHLLOKOSA-N 476.490 0.778 5 10 JCBE CN(CCO)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576621 AUYKXRBGXDATFP-UHFFFAOYSA-N 482.910 0.556 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cccc1[N+](=O)[O-] 1871642398 VXNMANPDQDLYJH-INIZCTEOSA-N 458.523 0.381 5 10 JCBE CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605689 CMFUXGHJAQYESL-QGZVFWFLSA-N 470.529 0.862 5 10 JCBE COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21 40375710 VPCCFQLGVSQRFU-LBPRGKRZSA-N 485.457 0.453 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)cc1[N+](=O)[O-] 1858659404 NOQOAPJOTYSHSX-UHFFFAOYSA-N 480.455 0.948 5 10 JCBE CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867785389 QKWXVNJIIBKCAK-OAHLLOKOSA-N 463.491 0.499 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871621538 QGVOMFNCQWUKAH-UHFFFAOYSA-N 496.576 0.743 5 10 JCBE Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OCc1ccccc1[N+](=O)[O-] 206320870 WTCKGQCNNMWAFU-LSCFUAHRSA-N 482.346 0.270 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 1861343821 BGWOYSRYQLCADD-RDTXWAMCSA-N 464.475 0.916 5 10 JCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] 1867290634 CFALIDFZOWYTPW-LBPRGKRZSA-N 462.381 0.820 5 10 JCBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ncccn4)CC3)n2)cc1 1871302193 GHTFEFZBGZENRL-UHFFFAOYSA-N 457.476 0.892 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccc(F)cc3)[nH]2)cc1[N+](=O)[O-] 1871707628 OALNOYRQEVYCBZ-UHFFFAOYSA-N 473.465 0.918 5 10 JCBE CSCC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1C(=O)CSC1=O 1872633263 VUQUBBBXJGLVAJ-LLVKDONJSA-N 476.558 0.806 5 10 JCBE Cn1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1=O 1891758949 RQXMZONBJJRFMG-UHFFFAOYSA-N 479.432 0.919 5 10 JCBE O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCOCC3)[C@@H]2C1)N1CCCC1 35870839 HBXGKLCOUCLBNI-FPOVZHCZSA-N 457.531 0.739 5 10 JCBE Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3Cc3ccncc3)c(=O)n2c1 100851547 XEBGRDAIYFMCGP-UHFFFAOYSA-N 473.537 0.942 5 10 JCBE CCOC(=O)/C=c1/s/c(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CC(=O)NC[C@H]1CCCO1 1615171269 COOXIXHXTHLUOA-VTBIVHHQSA-N 495.941 0.939 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1867770813 GMQMICBIGUIXRU-HNNXBMFYSA-N 455.876 0.929 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867356903 COVYKKQYSYXMMV-SFHVURJKSA-N 472.454 0.437 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845307 HBLQXNIQOIOGAW-MAUKXSAKSA-N 462.415 0.761 5 10 JCBE CN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 1870030104 VMVHGLDHTHELRQ-LLVKDONJSA-N 458.884 0.880 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1C[C@@H](C)O 1870697014 UGJDFGMEIJPRET-OAHLLOKOSA-N 478.502 0.978 5 10 JCBE O=C(NCC(=O)N1CCN(CCO)CC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1860843557 BNZDOJATZKQAGC-UHFFFAOYSA-N 455.471 0.713 5 10 JCBE O=C(OCC(=O)N1CCc2ccccc21)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 25426330 VYWBQHLPMPVAMX-CRAIPNDOSA-N 475.479 0.851 5 10 JCBE CCS(=O)(=O)CC[C@@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 170490648 HJXVAHXPDIGVGI-GFCCVEGCSA-N 455.445 0.365 5 10 JCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)cc1[N+](=O)[O-] 1858986087 NGMKHLUKCDLFPA-UHFFFAOYSA-N 491.526 0.879 5 10 JCBE CC[C@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867791995 HRGCYEXPPSXERF-QFIPXVFZSA-N 493.517 0.125 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)O)cc2)cc1[N+](=O)[O-] 1858647377 BOKQCKCKNSFTFR-NSHDSACASA-N 480.455 0.994 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3cccnc3)[nH]2)c1 1871517755 ATRFKHSEHDMCOR-UHFFFAOYSA-N 451.491 0.489 5 10 JCBE C[C@H](O)CN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519730 BKYINCIFTFIHMD-HNNXBMFYSA-N 451.491 0.882 5 10 JCBE O=C(NCCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1)c1ccc([N+](=O)[O-])cc1 1858984952 SCYUOMSQNMBGTJ-UHFFFAOYSA-N 461.500 0.871 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)ccc21 47163972 MHNWFBNYBLZPCN-UHFFFAOYSA-N 459.484 0.932 5 10 JCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCO)C(=O)[C@@H]32)cc1 247855445 UAINTZMVYRKGGT-YDLHNXBPSA-N 497.460 0.685 5 10 JCBE CCN1CCN[C@H](C(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)C1 1860878983 MXTNGKDPERLFDI-AZUAARDMSA-N 458.563 0.814 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1866639324 UBAASDNMNNYTPS-INIZCTEOSA-N 480.499 0.892 5 10 JCBE CN1CCN(c2nc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C(C)(C)C)n2)CC1 1869956822 RXFALYVJSOLAMO-UHFFFAOYSA-N 470.490 0.928 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518776 URTPMAKTIJAGIN-UHFFFAOYSA-N 483.533 0.460 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCOCCO)[nH]2)c1 1871520065 CCFHYXFUANXLKL-UHFFFAOYSA-N 461.479 0.131 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865620215 ICFJQCVDGYTSCF-MRXNPFEDSA-N 456.459 0.761 5 10 JCBE Cc1ccn(-c2ccc(NCCNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)nn2)n1 585460063 CGJGRSFJFGCENK-UHFFFAOYSA-N 462.448 1.486 5 10 JCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)ccc1[N+](=O)[O-] 1858986923 USZHYKXTLCZFIV-UHFFFAOYSA-N 491.526 0.879 5 10 JCBE CC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 219057045 UUDJEJUEAKDIRY-UHFFFAOYSA-N 489.485 0.823 5 10 JCBE CCN(CC)CCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646016 SNFHWLOKSFAIAY-UHFFFAOYSA-N 487.609 0.934 5 10 JCBE Cn1c(=O)[nH]c(N)c(NC(=O)c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2)c1=O 39125179 ABYJCCFKPSDPMT-UHFFFAOYSA-N 461.412 0.584 5 10 JCBE CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)C[C@H]2C1 1288296113 KFRARIJKAKOVAB-ZACQAIPSSA-N 450.517 0.932 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 1865733146 UXSUUMNTWPNSAP-JMSVASOKSA-N 471.470 0.323 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870696209 AUIOWZRIRFMXON-UHFFFAOYSA-N 462.459 0.607 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 102865138 HANQNSOXWBEEGZ-LTFPLMDUSA-N 468.415 0.630 5 10 JCBE CNS(=O)(=O)c1ccccc1N1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 727825739 XNFOGQSLDCCEFY-UHFFFAOYSA-N 459.484 0.879 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N[C@H](C)C(=O)O)cc2)c1 1858650795 RZPRBQBFONNQHJ-LLVKDONJSA-N 480.455 0.994 5 10 JCBE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1866026351 NSSROEYJKKNAKB-JTQLQIEISA-N 455.383 0.516 5 10 JCBE COCCN(CCOC)C(=O)Cc1nonc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1872628552 KGUDILPMOFZKLB-UHFFFAOYSA-N 467.435 0.668 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COc2ccccc2O1 1861127647 VNFOWQJEPIMLRN-CFMJQPPZSA-N 454.439 0.924 5 10 JCBE CN(C)CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863234990 CZTGXPAMECMCHJ-UHFFFAOYSA-N 459.484 0.996 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1865717128 PMJQXXPWPPXKEH-RISCZKNCSA-N 491.888 0.635 5 10 JCBE COCCn1nnc2ccc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2c1=O 1873734050 LRYZBGOPAUSJHF-UHFFFAOYSA-N 466.410 0.971 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 1860846229 LDEFIDXYVKDHQC-XVNBXDOJSA-N 471.474 0.206 5 10 JCBE CCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867791671 RDJQLRRPORCRNT-MRXNPFEDSA-N 493.517 0.125 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870045215 WVJROVBGUVLRNX-HNNXBMFYSA-N 493.546 0.949 5 10 JCBE COCCNC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870967549 RDGMLVJDTDUWFM-AWEZNQCLSA-N 464.475 0.899 5 10 JCBE CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](CC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2037545239 HXSPSFUNWCZTGO-CZNQJBLBSA-N 468.415 0.617 5 10 JCBE O=C(O)CCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 71788473 BYWZKPJOMDSREE-SFHVURJKSA-N 499.480 0.358 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1873696051 QRLQGHZJLBRKLB-OAHLLOKOSA-N 493.476 0.866 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1867283015 IRTDAZOSFDSYDY-LADRWXRNSA-N 463.535 0.825 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc(=NCCO)[nH]2)c1 1871521874 YOIBMUJGLFKGCD-UHFFFAOYSA-N 494.512 0.822 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COc2ccccc2O1 1861127652 VNFOWQJEPIMLRN-NGXUEJOTSA-N 454.439 0.924 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865735004 WFLAQQAOISWESR-OAHLLOKOSA-N 499.480 0.052 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)CC2)CC1 1749885576 WHIDSAXDPUZISJ-UHFFFAOYSA-N 470.534 0.686 5 10 JCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858646769 HJXRSWCMUBAFCP-UHFFFAOYSA-N 464.456 0.916 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc5c[nH]nc5c4)[nH]3)CC2)cc1 1871702107 AEJLWFIVRXAMIV-UHFFFAOYSA-N 476.501 0.974 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705514 MUUILJARPXZNAI-UHFFFAOYSA-N 459.511 0.018 5 10 JCBE Cc1ccc([N+](=O)[O-])cc1N=c1nc(N2CCC(C(N)=O)CC2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871733409 PHZDACOJIBBRDW-UHFFFAOYSA-N 483.533 0.657 5 10 JCBE Cn1nnc2c(N3CCN(C(=O)c4cccn(Cc5cccc([N+](=O)[O-])c5)c4=O)CC3)ncnc21 1891764336 CQZJTNMRDHNISN-UHFFFAOYSA-N 475.469 0.839 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2049263068 UPRXFWNZWWKSQU-QLCXLMDBSA-N 455.372 0.667 5 10 JCBE O=C(N[C@@H]1CCCN(C(=O)NCCN2CCOCC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585933823 AQGFFGHMZAWUDD-OAHLLOKOSA-N 450.452 0.739 5 10 JCBE CN(CCO)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(-c2ccccc2)n1 1870025483 FWENFDJXQJJBJS-UHFFFAOYSA-N 465.426 0.839 5 10 JCBE O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)c2ccc([N+](=O)[O-])cc2)CC1 47164371 VZFPGOHXIMVPRD-UHFFFAOYSA-N 474.451 0.848 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865721985 HBRUAHGYLULYSB-CQSZACIVSA-N 493.904 0.883 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734801 QYZPASSVFRRTBT-GDBMZVCRSA-N 485.497 0.450 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621835 RPDXCEOZGQBMNM-UHFFFAOYSA-N 471.566 0.962 5 10 JCBE CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 169677226 HYDOQUGESQZSCY-CTNGQTDRSA-N 458.563 0.558 5 10 JCBE O=C1C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCN1CCOCC1 1863595069 UAVJQZGOPMGGSX-UHFFFAOYSA-N 473.530 0.319 5 10 JCBE CCN(CC)CCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705376 GQJJZDGZCURHOE-UHFFFAOYSA-N 492.581 0.701 5 10 JCBE COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCN(CCO)CC3)cc2)c([N+](=O)[O-])c1 1872718527 IIPSASHFNZDMCY-UHFFFAOYSA-N 494.526 0.920 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COc2ccccc2O1 2330635142 KIRAEVTUVKLQTC-SJORKVTESA-N 454.439 0.924 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865734714 OWIOUQOBRKKGRE-XJKSGUPXSA-N 485.497 0.450 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867846473 OIYGEMZJMIUVIG-ZDUSSCGKSA-N 476.398 0.633 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCOCC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869953143 YNGFDYYDSJAOQN-CQSZACIVSA-N 450.477 0.365 5 10 JCBE CN1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869961766 YVUXWVZHPDJMPW-CYBMUJFWSA-N 494.490 0.458 5 10 JCBE CNS(=O)(=O)c1ccccc1N1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 609042176 VZHHSOVXWDLWSG-GOSISDBHSA-N 473.511 0.957 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1869958546 CYSYALCIHZQZPD-GFCCVEGCSA-N 488.910 0.243 5 10 JCBE O=C(COc1cn(CCOCCO)c(CN2CCOCC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398126 JAAAICXKENPOIO-UHFFFAOYSA-N 476.486 0.615 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCOCCO)[nH]2)ccc1Cl 1871578094 PQYGRSJGHZFUEW-UHFFFAOYSA-N 453.887 0.403 5 10 JCBE COC(=O)C1CCN(C(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)c([N+](=O)[O-])c2)CC1 1860907903 IDNIRNRHMOLBRA-UHFFFAOYSA-N 454.505 0.702 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1867772512 ZRCWLZJYUFQEAF-OAHLLOKOSA-N 470.891 0.897 5 10 JCBE CC[C@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867804392 PWQDGWZBMCYTOI-FQEVSTJZSA-N 468.463 0.306 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 1867805731 DZXVWXCHLZFKQZ-MRXNPFEDSA-N 495.510 0.813 5 10 JCBE COCCN(CCOC)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644487 VRVTYPKNIDJWGN-UHFFFAOYSA-N 490.565 0.519 5 10 JCBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632372 NBSKFTCLIVFADC-GFCCVEGCSA-N 456.502 0.268 5 10 JCBE CC(C)(C)OC(=O)NCC(=O)NCCNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 218999194 VGIBPSAQLDDPMM-UHFFFAOYSA-N 477.474 0.728 5 10 JCBE CC1(C)S[C@@H]2[C@H](NC(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2[C@H]1C(=O)O 1859456836 ZSFGTDJXHGPBMR-QWQRMKEZSA-N 476.467 0.603 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 1861123756 KYVOTNRZHWHNHB-DKRLNXSXSA-N 461.475 0.705 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc1[N+](=O)[O-] 1869798987 ILBGYLFWHLJMOM-UHFFFAOYSA-N 476.490 0.698 5 10 JCBE CN(C)C1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870044144 MBMJUSBWAGXRQL-QGZVFWFLSA-N 477.547 0.751 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CC(O)C1 1870398362 OHJCKQXEIHMVBF-UHFFFAOYSA-N 459.459 0.087 5 10 JCBE O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1)N1CCOCC1 1873016482 QQQZBRUBPOMYDR-OAHLLOKOSA-N 479.921 0.604 5 10 JCBE Cn1cc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O 1891711258 UTGYYTNCMLTBAF-UHFFFAOYSA-N 491.448 0.958 5 10 JCBE Cc1c(C(=O)NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861784598 GIHBVNSBEXIKIA-UHFFFAOYSA-N 451.417 0.505 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867359988 GSVPXDVWPBJGTD-RTWAWAEBSA-N 456.499 0.745 5 10 JCBE COc1cc(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CCN3CCCC3)CC2)c([N+](=O)[O-])cc1OC 1869763993 UTYQUMGCQHQCFN-MRXNPFEDSA-N 491.545 0.887 5 10 JCBE CCCCN(CCO)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518070 PHVPCEHAWRUGDU-UHFFFAOYSA-N 460.539 0.710 5 10 JCBE O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872904908 BUVVPAXBYYQQIX-HOTGVXAUSA-N 478.527 0.490 5 10 JCBE CC(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 1462832737 ANNVHQYAZDEBNP-UHFFFAOYSA-N 453.290 0.939 5 10 JCBE NS(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1858626958 NMSSSAAHVWYXEJ-UHFFFAOYSA-N 469.501 0.781 5 10 JCBE CN1CCN([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 1867360879 PZEIKPHCSFKEFC-NHCUHLMSSA-N 455.515 0.790 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867787066 ABICXTMBIXPHJF-INIZCTEOSA-N 493.542 0.188 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791442 DVRJEFDPBVBQQU-RXVVDRJESA-N 490.488 0.901 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870696811 PPYJFVQZKIDWIK-UHFFFAOYSA-N 476.486 0.997 5 10 JCBE CN1CCN(S(=O)(=O)c2ccc(NCCCN3CCCS3(=O)=O)c([N+](=O)[O-])c2)CC1 608779323 YHPNHAYLIIMXRQ-UHFFFAOYSA-N 461.566 0.368 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865739382 MKSNUOWCWHNZBH-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871644504 WQKFJEDFHVTFLC-UHFFFAOYSA-N 472.550 0.628 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c([N+](=O)[O-])c1 1890704770 VNRIKAKKQFTPOR-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COc2ccccc2O1 2330596381 VNFOWQJEPIMLRN-DLBZAZTESA-N 454.439 0.924 5 10 JCBE CC1(C)S[C@@H]2[C@H](NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)N2[C@H]1C(=O)O 1866021051 RPHMKSBJMGSMCQ-JKIFEVAISA-N 450.473 0.677 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Oc2ccccc2OC)c([N+](=O)[O-])cc1OC 1867807259 VSQCPKKJWOHIGH-ZDUSSCGKSA-N 477.426 0.433 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 1867850158 ZXCYKGBNUWDLOP-INIZCTEOSA-N 488.457 0.723 5 10 JCBE CC(=O)NCCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521851 XJWSHZDQQCSQSK-UHFFFAOYSA-N 478.517 0.637 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NC[C@H](C)O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871707215 RRFHSUUHCMZHGI-ZDUSSCGKSA-N 476.494 0.447 5 10 JCBE CC(=O)NCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3C)C2)CC1 1872934305 GZBVZDKOVXLWIA-QGZVFWFLSA-N 459.503 0.747 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706395 APRIPLPJXLUYMD-UHFFFAOYSA-N 487.565 0.262 5 10 JCBE Cn1c(=O)c2c(nc(Br)n2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 606630657 PHTAHPZCQCHHMS-SECBINFHSA-N 454.237 0.544 5 10 JCBE CCOCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706711 BAOKDLSTBAFRDE-UHFFFAOYSA-N 476.538 0.329 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(CC(=O)Nc4cccc([N+](=O)[O-])c4)CC3)ccc21 47164024 MGNQLWQVOIISIZ-UHFFFAOYSA-N 488.526 0.730 5 10 JCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O 1867361235 SAXPFCZXWCDDMU-QZTJIDSGSA-N 472.454 0.831 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C)CC1 1870398809 ZFNRVFNNFAXPAX-UHFFFAOYSA-N 486.529 0.658 5 10 JCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(CCNC(C)=O)C3)CC2)cc1[N+](=O)[O-] 1872941594 OFLCJKLHNMYKFN-MRXNPFEDSA-N 475.502 0.765 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832892 SFIGHLKYENYRDP-PIGZYNQJSA-N 459.415 0.800 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858658280 DMFDYOHTGNVWRP-UHFFFAOYSA-N 450.429 0.940 5 10 JCBE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867832443 CUCUSGFPVOKPAQ-SFHVURJKSA-N 453.408 0.197 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])nc2O)C1 1860846351 NWFBCAHZTKRMGH-JCVNQNCUSA-N 455.475 0.933 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867792378 KGUKSIPGOLTFAX-GOSISDBHSA-N 485.497 0.585 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 1867912254 TXASOFPKLWNRSU-QGZVFWFLSA-N 455.943 0.871 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644658 CWRIAMSGOWFFQK-UHFFFAOYSA-N 472.506 0.567 5 10 JCBE NC(=O)C1CCN(c2nc(=Nc3cccc([N+](=O)[O-])c3)nc(N3CCC(C(N)=O)CC3)[nH]2)CC1 1871732557 NEOHLSJJULLMBZ-UHFFFAOYSA-N 469.506 0.349 5 10 JCBE CC(=O)N[C@@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 11024166 HANQNSOXWBEEGZ-CENDIDJXSA-N 468.415 0.630 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H](CNS(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1537225334 CSPMJPXIVGPCAE-OAHLLOKOSA-N 453.521 0.275 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867841601 KKRLNQAGFHAMMY-UHFFFAOYSA-N 453.408 0.115 5 10 JCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)[nH]o1 1869750301 ZDNIGTCRFXNSNW-KRWDZBQOSA-N 486.485 0.509 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCOC(C)C)[nH]2)cc1[N+](=O)[O-] 1871705671 OYUFOUNYGWKAPG-UHFFFAOYSA-N 490.565 0.717 5 10 JCBE COCCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707375 MAHIDTDDXONLHP-UHFFFAOYSA-N 460.495 0.526 5 10 JCBE CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1309162169 ZWMCVPJHKIWUMP-UHFFFAOYSA-N 452.411 0.973 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nn12 1867882977 JGIOLHZGHDWBFL-NSHDSACASA-N 453.868 0.505 5 10 JCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCCO)cc1[N+](=O)[O-] 1871033264 XRWCKUPNKBKPIS-UHFFFAOYSA-N 476.486 0.997 5 10 JCBE CN(C)CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 1873016290 MNABAWMKUOCWPH-OAHLLOKOSA-N 480.953 0.423 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865720404 ACTCNIORELTXLU-INIZCTEOSA-N 486.529 0.535 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCn1c(O)nc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792381 KHNRGLHCAZKVRS-QGZVFWFLSA-N 498.496 0.394 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CC(O)C2)nn1-c1ccccc1 1869999372 LZWZQFKTBYZTCC-UHFFFAOYSA-N 463.410 0.591 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H](O)c3ccc(Cl)cc3)[nH]2)c1 1871520680 KRXJHRNUOSVSIB-GOSISDBHSA-N 489.920 0.957 5 10 JCBE CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O 271776630 PZNCQQDHCDLLGT-VEVIJQCQSA-N 479.490 0.548 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NCC3(S(=O)(=O)N(C)C)CC3)cc2[N+](=O)[O-])CC1 1584442463 LMRVXRJQHGIGKG-UHFFFAOYSA-N 453.521 0.417 5 10 JCBE O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858300995 SBKGMSKQWQLHPN-ZDUSSCGKSA-N 458.452 0.770 5 10 JCBE O=C(N=c1nn[nH][nH]1)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858997529 GZBLKELJLKOXGX-UHFFFAOYSA-N 460.432 0.013 5 10 JCBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861125543 JRNHPCCNPSXHGL-VRQAPCGNSA-N 489.510 0.322 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1cccs1)=C(N)O2 1865717441 WDQDXGQDNBIXKJ-CQSZACIVSA-N 485.478 0.770 5 10 JCBE C[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867791134 CIFFIJTZGXOQNW-MBSDFSHPSA-N 472.498 0.546 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578100 PVPONOYDIZIMNR-UHFFFAOYSA-N 464.914 0.777 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCn1c(=O)c(=O)[nH]c2cc(Cl)ccc21 1873716185 RPBHLBYJVJEAAC-UHFFFAOYSA-N 471.813 0.664 5 10 JCBE CN1CCN([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 1867360881 PZEIKPHCSFKEFC-SFTDATJTSA-N 455.515 0.790 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCc1cn2ccsc2n1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791117 BXHCFIYFDQQYEZ-MRXNPFEDSA-N 488.526 0.590 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870079879 YOVHWBOFIRZPQY-INIZCTEOSA-N 496.546 0.826 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521648 OXIQHTSLHWGUGZ-UHFFFAOYSA-N 458.479 0.259 5 10 JCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1868125886 GFEVUPXJAZPOKI-UHFFFAOYSA-N 487.513 0.364 5 10 JCBE CCN(CCO)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641549 SZUDYKWEHFFKJP-UHFFFAOYSA-N 458.523 0.919 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705715 QPYSDINYHFBQPU-UHFFFAOYSA-N 495.548 0.466 5 10 JCBE CCCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867805959 TUOUPEBKJKNWKF-CQSZACIVSA-N 482.490 0.696 5 10 JCBE COCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870589643 GWYHOOGIBBIRRY-UHFFFAOYSA-N 479.486 0.635 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871708527 PXUQRWUOIAEJAE-UHFFFAOYSA-N 490.502 0.320 5 10 JCBE CCc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)NCCN(C)C)CC3)CC2=O)cc1[N+](=O)[O-] 1873016097 HPEOWRZGWBZHBU-GOSISDBHSA-N 474.562 0.332 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 1892139156 YPIVSZXGVMLDIQ-UHFFFAOYSA-N 487.494 0.803 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1cccc([N+](=O)[O-])c1 1865464143 OMCWMRXPRHECGX-SFHVURJKSA-N 456.503 0.951 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865588294 ZRTNTPPYMLJQSZ-KRWDZBQOSA-N 457.443 0.789 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 22065179 CTOASCJVNQFYNH-WAXPSYRMSA-N 455.372 0.667 5 10 JCBE O=C(NCCN1CCOCC1)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858646808 JGMKZQKIXCKYJY-UHFFFAOYSA-N 491.526 0.845 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867799798 KZYVVOHEWYSPST-AWEZNQCLSA-N 483.547 0.308 5 10 JCBE CCc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)N4CCN(C)CC4)CC3)CC2=O)cc1[N+](=O)[O-] 1873017233 MELPBWIJSJOUCO-IBGZPJMESA-N 486.573 0.428 5 10 JCBE C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 13523017 NRPFSJAQJJYJLT-XEZPLFJOSA-N 477.474 0.399 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797074 XXYSNHRPKBCRCT-KRWDZBQOSA-N 478.527 0.862 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869960638 AREYQILBNZTADT-CQSZACIVSA-N 479.519 0.559 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1ccc([N+](=O)[O-])cc1 1865643594 RCMVTLBQTMXBGV-GOSISDBHSA-N 456.503 0.951 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC[C@@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833400 LHDAAWRFTWZPGY-DLBZAZTESA-N 450.379 0.973 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 1690866434 RLJSQEQGWAOXPN-MRXNPFEDSA-N 470.534 0.684 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(O)CC1)=C(N)O2 1865733977 ZUWVKOBAVWJMPM-AWEZNQCLSA-N 491.888 0.324 5 10 JCBE CC(C)(NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868591434 MTFRTAZGFCAITB-OAHLLOKOSA-N 452.533 0.963 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870078717 KFQAJAKNDLSVHF-MRXNPFEDSA-N 482.519 0.897 5 10 JCBE CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1 14019647 ALKFWTXSHBUHHI-JOMGHURXSA-N 474.470 0.511 5 10 JCBE COC(=O)c1ccc([C@@H]2N[C@](CO)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)cc1 247820143 HRTULPPCLBQNPY-FSNCLGKMSA-N 469.406 0.647 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858974798 DDJXSFQPHQIFLS-UHFFFAOYSA-N 495.426 0.548 5 10 JCBE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCNC(C)=O)=C(N)O2 1864948449 LKCDSSGDZXXDRI-MRXNPFEDSA-N 458.475 0.933 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867800523 WUXAFCLVUYKTID-SFHVURJKSA-N 469.498 0.453 5 10 JCBE COc1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 1868131217 BQYIWTBNZHXRIU-UHFFFAOYSA-N 491.526 0.908 5 10 JCBE COc1ccc(OCCN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871519005 FCIHPWOMWMMVCB-UHFFFAOYSA-N 485.501 0.658 5 10 JCBE COCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871642568 YFNDWJCJBNEWQY-UHFFFAOYSA-N 466.506 0.851 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871707200 QVDGRFHARSCLGQ-UHFFFAOYSA-N 488.549 0.329 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867783354 HSGSHEOHARUREA-FQEVSTJZSA-N 495.536 0.987 5 10 JCBE C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869723980 HFXLXSZFWJBGPQ-OAHLLOKOSA-N 481.937 0.760 5 10 JCBE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)C3)n2)n1 1891636501 FXPMSPSGQDBCJH-UHFFFAOYSA-N 491.464 0.709 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc2O)C1 2328754393 CUCVCUBVOXFNNN-QGZVFWFLSA-N 455.475 0.933 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867358667 JLRVWEABMFYAID-IEBWSBKVSA-N 478.527 0.901 5 10 JCBE CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13990644 JARKDNPNRURBBH-CYBMUJFWSA-N 453.433 0.661 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1 1858658207 AEQZYWCOPPINRD-UHFFFAOYSA-N 461.500 0.757 5 10 JCBE Cc1c(C(=O)Nc2nnc(CCC(=O)NCCc3nn4cnnc4s3)c(O)n2)cccc1[N+](=O)[O-] 1860888940 UUDQUSQXURQUJU-UHFFFAOYSA-N 498.485 0.837 5 10 JCBE Cc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864946909 WBGNWVFVDWXUNU-SFHVURJKSA-N 472.502 0.875 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccccn1)=C(N)O2 1865716616 DUPMEGVLWAMUFP-HNNXBMFYSA-N 480.437 0.104 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865719545 YNVNKFBCJOWJAE-QGZVFWFLSA-N 493.476 0.882 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCOCCO 1870397952 ACULWPQPIQGNJE-UHFFFAOYSA-N 478.502 0.597 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791443 DVRJEFDPBVBQQU-WIYYLYMNSA-N 490.488 0.901 5 10 JCBE O=C(Nc1nc(N2CCOCC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869952374 AARYPQLGWRXXBR-LBPRGKRZSA-N 481.447 0.543 5 10 JCBE O=C(COc1nonc1C(=O)N1CCN(c2ncccn2)CC1)Nc1cccc([N+](=O)[O-])c1 1872681071 QTZCHWQSDCVMQM-UHFFFAOYSA-N 454.403 0.748 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 1891662512 SDHXSFZVXMCWIA-UHFFFAOYSA-N 474.433 0.968 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)c1 1859000932 VGOMUVKDSSZWIR-UHFFFAOYSA-N 489.470 0.626 5 10 JCBE O=C1Cc2cc(S(=O)(=O)N3CC[C@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc2N1 1858326902 LOXNURSWYDIXAJ-ZDUSSCGKSA-N 466.497 0.831 5 10 JCBE O=C(NCC(=O)N1CCC(c2ncncn2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1869750002 XNZQCAYOEJPAPJ-UHFFFAOYSA-N 455.475 0.752 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871644986 JKHDXEJXQHANHO-UHFFFAOYSA-N 475.506 0.440 5 10 JCBE O=C(CCC(=O)NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 59487835 VCWQQSSMCOYPRS-UHFFFAOYSA-N 496.348 0.238 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] 1859074384 DHRAQCORPBBYMN-OAHLLOKOSA-N 459.550 0.354 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867791746 GSVPSVYVMKRRMZ-RXVVDRJESA-N 488.497 0.381 5 10 JCBE COc1cc(C(=O)NC(C)(C)C(=O)N2CCN(c3nnc(C)n3C)CC2)c([N+](=O)[O-])cc1OC 1869768345 WDZIDEBMZUPPSM-UHFFFAOYSA-N 475.506 0.906 5 10 JCBE Cc1cc(C)n2[nH]c(=NC(=O)Cn3cnc4c(nnn4Cc4ccc([N+](=O)[O-])cc4)c3=O)nc2n1 1870102645 DIVPCOIZVPANPY-UHFFFAOYSA-N 475.429 0.060 5 10 JCBE CCN(CCO)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706503 GELPFXRTAKWKQF-UHFFFAOYSA-N 476.538 0.329 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871706584 JBOIXNJLGGJBTO-UHFFFAOYSA-N 469.506 0.962 5 10 JCBE CN1CCN(S(=O)(=O)c2ccc(NCCCN3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 506750565 AQXJAJRDHTZXQI-IBGZPJMESA-N 482.607 0.886 5 10 JCBE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] 1858649088 ZEJFXQZWUYMRHF-UHFFFAOYSA-N 490.542 0.984 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861880791 QNFWIVZJQRONCN-SFHVURJKSA-N 467.548 0.564 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621275 LXOUSCKPGVEIRH-UHFFFAOYSA-N 474.566 0.881 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)NCCc2nn3cnnc3s2)c1 1859124660 DWUHYIYSCWEMMR-ZDUSSCGKSA-N 463.501 0.977 5 10 JCBE CS(=O)(=O)N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1 1860882626 XVUXHELUPIFPHI-UHFFFAOYSA-N 453.521 0.419 5 10 JCBE CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 1083805610 AGWYHLDAEVAMEC-CWVBCOCOSA-N 496.425 0.408 5 10 JCBE COc1cc(C(=O)N[C@H](C)C(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)c([N+](=O)[O-])cc1OC 1869762901 BFUNQOYEOWOVKV-GFCCVEGCSA-N 492.510 0.963 5 10 JCBE CN(CCO)c1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870031139 IUXMGIYCEIZKND-LLYBFZRZSA-N 450.477 0.626 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCCO)[nH]2)cccc1[N+](=O)[O-] 1871644385 ZCGCPVWQJLYCTJ-UHFFFAOYSA-N 474.566 0.755 5 10 JCBE CN1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C3)CC2)CC1 1873016820 AJAMTBSHLOYOEX-MRXNPFEDSA-N 492.964 0.519 5 10 JCBE COC(=O)Cc1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc1C(=O)OC 1873752120 SPTKVCKACIEFNI-UHFFFAOYSA-N 462.396 0.788 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 102208100 UZMKMTNQYIJXTD-GHRYLNIYSA-N 465.411 0.000 5 10 JCBE COC(=O)[C@H]1CCCN1C(=O)Cc1ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c1 1860846871 YXIWUCGOXGTBGN-OAHLLOKOSA-N 470.504 0.569 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCNC(C)=O)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891555 NRTMVJHYMQHGDN-SFHVURJKSA-N 486.485 0.838 5 10 JCBE CCCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865623083 VBVOYQGGZBOVFI-SFHVURJKSA-N 486.529 0.818 5 10 JCBE Cn1nc(N2CCC3(CC2)OCCO3)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869973983 PRATWQBHJLWYOL-UHFFFAOYSA-N 485.457 0.691 5 10 JCBE COCCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870396520 RMFQGAKOWOYNND-UHFFFAOYSA-N 478.502 0.597 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccco3)[nH]2)cc1[N+](=O)[O-] 1871705484 LIVUDJWYIJTPHX-UHFFFAOYSA-N 470.490 0.695 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)ccc1[N+](=O)[O-] 1858660635 HIZNPEMGRBSWTR-UHFFFAOYSA-N 480.455 0.948 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793391 QRNZWYYYQMYOLJ-HIFRSBDPSA-N 467.548 0.534 5 10 JCBE Cc1ccn(-c2ccc(=NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[nH]n2)n1 1891454293 RMDLOXORNKKDCO-UHFFFAOYSA-N 450.415 0.125 5 10 JCBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330592485 JRNHPCCNPSXHGL-GOSISDBHSA-N 489.510 0.322 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C1 1865735821 CXEXUZNGWSFFQH-SWLSCSKDSA-N 455.471 0.945 5 10 JCBE Cn1nc(N2CCC(C(N)=O)CC2)nc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870066050 ZMKJNUHTRUHIJV-UHFFFAOYSA-N 484.473 0.440 5 10 JCBE CCN(CC)C(=O)N1CCN(c2ccc(C(=O)N3CCN(CCO)CC3)cc2[N+](=O)[O-])CC1 1860866345 CSFPYAJZQHNJGP-UHFFFAOYSA-N 462.551 0.929 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCc3cnc[nH]3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519718 APWTWSJYHDDLBW-UHFFFAOYSA-N 452.479 0.413 5 10 JCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858646901 MNPUBLDZFNAQOR-UHFFFAOYSA-N 450.429 0.987 5 10 JCBE CCN1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871575781 PZEDOQQRDCWZNB-UHFFFAOYSA-N 491.984 0.907 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccccn3)[nH]2)cccc1[N+](=O)[O-] 1871646029 WHTDQYVQZNSOPW-UHFFFAOYSA-N 465.518 0.797 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721157 LDFQSRHZXZGRRQ-OAHLLOKOSA-N 481.469 0.090 5 10 JCBE C[C@@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2C1 1867834271 RUJQGGSNLRMXET-SJKOYZFVSA-N 460.447 0.731 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCN(CC)CC)[nH]2)cc1[N+](=O)[O-] 1871621611 MTJBYUMAWABJIL-UHFFFAOYSA-N 487.609 0.798 5 10 JCBE NC(=O)CC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330592486 JRNHPCCNPSXHGL-SFHVURJKSA-N 489.510 0.322 5 10 JCBE CNS(=O)(=O)c1ccccc1N1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 609042177 VZHHSOVXWDLWSG-SFHVURJKSA-N 473.511 0.957 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865471010 UWBNZBPZPBLUNZ-KRWDZBQOSA-N 456.503 0.722 5 10 JCBE C[C@@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CSc1nnnn1C 1870248877 QVKANQDAMFMCEL-GFCCVEGCSA-N 475.487 0.971 5 10 JCBE CN(C)CCN(C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 1859463809 VQJSEUYPFJYEBE-CYBMUJFWSA-N 452.489 0.158 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCc2cn3ccsc3n2)cc1[N+](=O)[O-] 1867846185 MRTRZDRSCDBAND-CYBMUJFWSA-N 462.444 0.970 5 10 JCBE COCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(CCO)CCO 1870696553 IEEAIGRMICAWFW-UHFFFAOYSA-N 494.501 0.216 5 10 JCBE CC(=O)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1478569005 TXZOHOKWFZCBBC-MRXNPFEDSA-N 453.521 0.869 5 10 JCBE CC(C)(C)OC(=O)NCCNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860853034 XNRKNULRKJQYCR-UHFFFAOYSA-N 475.462 0.733 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865725457 JOPZGCMDPOOYAW-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Oc2ccccc2C)c([N+](=O)[O-])cc1OC 1867807063 RLGVVZLEARULGY-CQSZACIVSA-N 461.427 0.733 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn12 1867912445 WTTHMZBOXIJHOY-GFCCVEGCSA-N 453.868 0.505 5 10 JCBE COc1cc(C(=O)NCC(=O)N(C(=O)[C@@H]2CCCN2)c2cc(C)on2)c([N+](=O)[O-])cc1OC 1869754791 CDVRMXBUZHSSQV-ZDUSSCGKSA-N 461.431 0.950 5 10 JCBE CN(C)CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870398415 QEJXHTHQDNKNJT-UHFFFAOYSA-N 477.518 0.122 5 10 JCBE O=C1C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCc1cnc[nH]1 1863595642 PVXPGSBVUSNFFN-UHFFFAOYSA-N 454.487 0.952 5 10 JCBE O=C(O)CN(C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866313320 MHOBFSJYVGDGKW-SJORKVTESA-N 461.448 0.396 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867833398 LFYISIQYPPVKIV-KRWDZBQOSA-N 480.455 0.704 5 10 JCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(c2nnc(C)n2C)CC1 1869770003 LCYBOFLEYNROED-HNNXBMFYSA-N 475.506 0.906 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])nc2O)C1 1860846352 NWFBCAHZTKRMGH-OJXHRBAXSA-N 455.475 0.933 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 1859315552 NAMHQYOBDZIVQV-OAHLLOKOSA-N 455.537 0.691 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 1867348580 XJUAWJDUJWMFBU-CQSZACIVSA-N 456.502 0.184 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867897346 CNJJZEVGVHTMRP-CQSZACIVSA-N 484.918 0.776 5 10 JCBE CN(CCO)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575560 GYYYNDKVTFKXSK-UHFFFAOYSA-N 452.903 0.193 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848438258 MHAQOFAFDHVKQE-KWXDATOUSA-N 483.382 0.479 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccccn1)=C(N)O2 1865716866 KLMYULNSRZJQQJ-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867782577 CNEKXXLLHBNHHP-SFHVURJKSA-N 490.538 0.876 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1541003139 LRANBRDTSHZZMB-MRXNPFEDSA-N 493.590 0.887 5 10 JCBE O=C(CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1O)NCCc1nn2cnnc2s1 1859133301 FRVPMCJZRCLLFW-UHFFFAOYSA-N 484.458 0.528 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CC(O)C2)nn1-c1ccccc1 1869999405 NLUCERSEBSZWBA-UHFFFAOYSA-N 477.437 0.981 5 10 JCBE COc1cc(C(=O)Nc2nc(N(C)CCO)nn2[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1870029083 GDPLVRKLAKPNOT-NSHDSACASA-N 484.491 0.244 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 101178972 HANQNSOXWBEEGZ-LJDSDSDDSA-N 468.415 0.630 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858975106 NCIOWZNFUBFHIP-UHFFFAOYSA-N 477.499 0.691 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1891727822 YEOCTQXYUBXZCT-LBPRGKRZSA-N 466.406 0.884 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787882 ANPXRHFSJKSXJN-WOJBJXKFSA-N 486.525 0.805 5 10 JCBE CC(=O)N1CCN(c2nc(=NC[C@H](C)O)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576539 XMQRNXBHPJNVSE-NSHDSACASA-N 450.887 0.482 5 10 JCBE O=C(Cn1cnc2c(N3CCOCC3)ncnc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1873837503 ATWFAWZFFHCKCT-UHFFFAOYSA-N 452.475 0.920 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 77285248 NAEXCCUZPJWPMZ-MKUJHJDCSA-O 467.926 0.810 5 10 JCBE in-vitro C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)O 1858975642 AVHIURAXYQYNRG-CYBMUJFWSA-N 478.483 0.957 5 10 JCBE Cc1c(C(=O)N[C@@H](CCC(N)=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 1861011009 QMJIGZALYDWART-KRWDZBQOSA-N 491.526 0.273 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865738473 VSSKDDQDKBCQFP-MRXNPFEDSA-N 484.513 0.241 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867822393 WHCBSMJIQRUYDU-AWEZNQCLSA-N 499.502 0.458 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCO)[nH]2)ccc1Cl 1871578000 LFEMCEJOWBNMPT-UHFFFAOYSA-N 472.897 0.541 5 10 JCBE CN(C)C1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578177 SLFVNTQEOYFUQC-UHFFFAOYSA-N 480.957 0.972 5 10 JCBE O=C1CN(C(=O)c2ccc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)CCN1 1873746320 RRDHIUMOBMCBLV-UHFFFAOYSA-N 451.395 0.402 5 10 JCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 1867873943 KDXOVBGXQJUALC-HXOBKFHXSA-N 473.482 0.961 5 10 JCBE CN1CCN(Cc2cc(=O)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cn2CCO)CC1 1870589575 BYKDUUMMQOBNRA-UHFFFAOYSA-N 460.487 0.942 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccncc3)[nH]2)cc1[N+](=O)[O-] 1871706607 JVBMMZNUNHNLMB-UHFFFAOYSA-N 481.517 0.497 5 10 JCBE NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 526917090 SCOSQQHLGXIYKK-UHFFFAOYSA-N 465.444 0.977 5 10 JCBE O=C(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccccc1 1867792001 HTNFWBWWYNBYDJ-QGZVFWFLSA-N 471.470 0.277 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871620946 FVKDWHPFRCIPLQ-UHFFFAOYSA-N 458.523 0.686 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1873693044 HRORWLMYFYZYJE-INIZCTEOSA-N 493.476 0.472 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 15206674 UPRXFWNZWWKSQU-HTBDUDNFSA-N 455.372 0.667 5 10 JCBE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)O 1858645827 UNPJZCUFDHUVNY-SNVBAGLBSA-N 495.426 0.894 5 10 JCBE CN(C[C@H]1CCCO1)C(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872644440 HUCBOPSDECFZMN-GOSISDBHSA-N 488.501 0.885 5 10 JCBE CC(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 253490692 JSZMFYPHPTWSTF-JGFGOQIWSA-N 465.463 0.158 5 10 JCBE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 487563428 KZQORUOTUJOCDI-OAHLLOKOSA-N 467.548 0.806 5 10 JCBE CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NCCC(=O)NCC(=O)OC 1867801247 JAOUDKDXZRCVCK-ZDUSSCGKSA-N 468.463 0.306 5 10 JCBE C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869926960 KAWIDBJPQTVPGP-ZDUSSCGKSA-N 497.489 0.873 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccncc3)[nH]2)cc1[N+](=O)[O-] 1871706428 CKYUKDDIFGKKMN-UHFFFAOYSA-N 456.463 0.174 5 10 JCBE CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13990647 JARKDNPNRURBBH-ZDUSSCGKSA-N 453.433 0.661 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867796735 WGGXWIJRRLJCOW-NHCUHLMSSA-N 499.568 0.811 5 10 JCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 1869783271 KJMIKKYRWKWNBL-NSHDSACASA-N 477.455 0.854 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734713 OWIOUQOBRKKGRE-CZUORRHYSA-N 485.497 0.450 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 1867794274 JCRGIFVQBAKFMO-UHFFFAOYSA-N 451.524 0.874 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869832073 MRCQRRXRDXNUIO-LJQANCHMSA-N 475.546 0.805 5 10 JCBE O=c1cc(CN(CCO)CCO)n(CCCN2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 1870684752 ONBUGWSICLAEQD-UHFFFAOYSA-N 490.557 0.844 5 10 JCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)cc1[N+](=O)[O-] 1858647776 KMGUFRFDIPUULM-UHFFFAOYSA-N 466.428 0.606 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1867909938 CBCAJXBFKNSQQC-QGZVFWFLSA-N 484.918 0.735 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621049 FSBYRPIAAYKOPS-UHFFFAOYSA-N 461.523 0.559 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cccc1[N+](=O)[O-] 1871641097 CQOQXQLHLPHALI-UHFFFAOYSA-N 469.550 0.852 5 10 JCBE CS(=O)(=O)N1CCN(c2ccc(C(=O)NCCc3nn4cnnc4s3)cc2[N+](=O)[O-])CC1 1860908098 PHBPTGXYXJDMJL-UHFFFAOYSA-N 480.532 0.148 5 10 JCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 1867348743 BQWXLPNYZCNAEM-OAHLLOKOSA-N 484.556 0.963 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519762 COJWRDFNHZYDID-UHFFFAOYSA-N 485.549 0.170 5 10 JCBE O=C(CCn1c2ccccc2c2nc3ccccc3nc21)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 170567198 KMIXRIRTDLLPLJ-YPCMALBDSA-N 452.467 0.044 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870066554 LDVVYXJBVYOQPT-HNNXBMFYSA-N 491.530 0.808 5 10 JCBE COCCCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873599448 WJFCQZKUFYOTKH-UHFFFAOYSA-N 484.513 0.946 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867757362 COOMRXSGROXGQF-GFCCVEGCSA-N 490.947 0.837 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCNCC3)cc2)c1 1858661913 URFVNZIPIQZTSG-UHFFFAOYSA-N 477.499 0.837 5 10 JCBE O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC[C@H]1CCCO1 14005568 ZMRTVEMYMPPTHZ-CABCVRRESA-N 495.470 0.430 5 10 JCBE CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858333723 JXMNENLAEHVCBW-CQSZACIVSA-N 480.524 0.855 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1867235366 RFIFASUFBGOTBB-OAHLLOKOSA-N 452.445 0.289 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845309 HBLQXNIQOIOGAW-YJBOKZPZSA-N 462.415 0.761 5 10 JCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 1867873944 KDXOVBGXQJUALC-SBUREZEXSA-N 473.482 0.961 5 10 JCBE O=C(COc1cn(CCO)c(CN2CCC(CO)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398165 KXFYGLGLLRGHAX-UHFFFAOYSA-N 460.487 0.971 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCCc3cnc[nH]3)[nH]2)ccc1Cl 1871576507 WHGXEAYGJUJCPT-UHFFFAOYSA-N 463.886 0.189 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1cccs1)=C(N)O2 1865723706 CFBSZZSHAGHJRZ-HNNXBMFYSA-N 499.505 0.813 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865734367 JORPBDONFJHAEP-HNNXBMFYSA-N 455.471 0.945 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Oc2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807354 WYQSTIMIXQVGEZ-HNNXBMFYSA-N 461.427 0.733 5 10 JCBE COc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1 1891272690 GKFRXXLCPZQTDG-UHFFFAOYSA-N 453.481 0.170 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 1860919765 PAHZICCUEBLQOV-XVNBXDOJSA-N 471.474 0.518 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 1867359590 BXYIXNZCNMDLLX-MSOLQXFVSA-N 460.418 0.962 5 10 JCBE CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869440419 ONCBQLDTVSSRGB-OAQYLSRUSA-N 475.546 0.742 5 10 JCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[nH]o1 1869773068 AXMUAQNECAMSJO-AWEZNQCLSA-N 460.403 0.889 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519961 AGNRHQQBNLNOEE-UHFFFAOYSA-N 457.539 0.789 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644624 BWQONRFREJCLJF-UHFFFAOYSA-N 457.539 0.754 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721156 LDFQSRHZXZGRRQ-HNNXBMFYSA-N 481.469 0.090 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867797323 YRGXPPASPDLTAF-ZFWWWQNUSA-N 456.521 0.083 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869952426 CEDIQYKTRGJOKN-ZDUSSCGKSA-N 466.476 0.643 5 10 JCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCCO 1870696611 LAWAFHONAMBVSC-UHFFFAOYSA-N 478.502 0.979 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n([C@@H]2CCS(=O)(=O)C2)n1 1870051593 KHGZQZHQUZSUBU-GFCCVEGCSA-N 497.490 0.833 5 10 JCBE CCN1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871708022 GLIOCTNJWSYHHV-UHFFFAOYSA-N 459.511 0.066 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 1858424159 OQSJQELNILTHIC-OAHLLOKOSA-N 482.540 0.612 5 10 JCBE CN1CCN([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 1867360880 PZEIKPHCSFKEFC-RTWAWAEBSA-N 455.515 0.790 5 10 JCBE COc1cccc(-c2nnc(CNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1 1867833201 JRPOROPPXQGVLJ-MRXNPFEDSA-N 486.397 0.969 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871645024 JXBOHSHZJJYGJS-UHFFFAOYSA-N 495.544 0.818 5 10 JCBE COCCN(CCOC)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707867 DROYXOKGLSDXNM-UHFFFAOYSA-N 478.510 0.023 5 10 JCBE CN1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 2331273493 HMLDPJCZQUEZTM-KRWDZBQOSA-N 475.531 0.950 5 10 JCBE COc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)c([N+](=O)[O-])cc1OC 1869764547 ZXPQPZXBNBNLRN-LBPRGKRZSA-N 461.479 0.516 5 10 JCBE COCCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518827 WUJNTUPFYDLMLK-UHFFFAOYSA-N 466.506 0.932 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858985354 AUWJPZNXLKUNGV-UHFFFAOYSA-N 464.456 0.982 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870076939 ZHVZJHPTZDATBT-UHFFFAOYSA-N 475.462 0.447 5 10 JCBE COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c34 257552021 UDWUZPSSUIWBKB-SAPZFXJXSA-N 462.363 0.031 5 10 JCBE biogenic O=C1CCC(=O)N1c1ccc(S(=O)(=O)N(CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 1858002415 HIPCQEZUZKBIFZ-GOSISDBHSA-N 463.468 0.965 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 1861809612 OXIQSHMKUWIYRE-WMLDXEAASA-N 463.447 0.516 5 10 JCBE O=C(Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O)NCc1ccco1 1870102972 FVVYTBXGBLRPDA-UHFFFAOYSA-N 467.398 0.720 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870696629 LOAWTRWVWAMVQI-AWEZNQCLSA-N 464.475 0.588 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 1865731959 CGPUNGSUPRBAFZ-LALPHHSUSA-N 471.470 0.323 5 10 JCBE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867819744 YASRPURACDYEHX-IBGZPJMESA-N 467.435 0.505 5 10 JCBE COCCNS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 170495748 UWSFTPQJQQBEHN-UHFFFAOYSA-N 476.467 0.432 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCS(C)(=O)=O)CC1 1359400476 MEYIIDIMUIXTBP-UHFFFAOYSA-N 479.563 0.498 5 10 JCBE Cc1cc([N+](=O)[O-])ccc1Nc1nc(N2CCN(CCO)CC2)nc(N2CCN(CCO)CC2)n1 1871732687 BDFCOCHNNLFUCA-UHFFFAOYSA-N 487.565 0.060 5 10 JCBE CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 1359401176 JWOHLOQMZHKJAD-GOSISDBHSA-N 470.534 0.938 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 1867882375 DHOYTPHMTJLHJN-HNNXBMFYSA-N 455.876 0.929 5 10 JCBE CCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864952406 JEOWDBXWIODFDQ-KRWDZBQOSA-N 472.502 0.739 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 1867912431 WLNHUQSKFITQEW-INIZCTEOSA-N 470.891 0.897 5 10 JCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ncnc3[nH]cnc23)CC1 1873780177 XCKHONXPKTWUAB-UHFFFAOYSA-N 464.442 0.986 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)NCCN3CCOCC3)c(O)n2)c1 1860896261 MFHNLTVIIKHOHC-UHFFFAOYSA-N 475.462 0.127 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870060568 UQIREUNXDDCCHR-GFCCVEGCSA-N 450.477 0.759 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 1891266881 VTWOAIWJPVAKHZ-HZPDHXFCSA-N 462.418 0.834 5 10 JCBE C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869723979 HFXLXSZFWJBGPQ-HNNXBMFYSA-N 481.937 0.760 5 10 JCBE CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 1144511444 FALAETDVQJTVIJ-CQSZACIVSA-N 451.505 0.458 5 10 JCBE CN([C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858198478 UFUYMYWNRAYQLG-DLBZAZTESA-N 474.538 0.855 5 10 JCBE CCOC(=O)N1CCN(C(=O)c2ccc(N3CCN(S(C)(=O)=O)CC3)c([N+](=O)[O-])c2)CC1 1860907831 FQBCASOFLIQJJP-UHFFFAOYSA-N 469.520 0.591 5 10 JCBE COc1cc(C(=O)NCC(=O)N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869755970 MHYQWKCRMPCYEU-UHFFFAOYSA-N 450.492 0.913 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1516521698 JEXCJBDHFYKPDS-KRWDZBQOSA-N 456.546 0.823 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)ccc1[N+](=O)[O-] 1858648776 MTBUDRJSFWPFDH-UHFFFAOYSA-N 466.428 0.606 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867788698 KJDWYQNYACDNNH-GOSISDBHSA-N 486.481 0.552 5 10 JCBE Cc1cc(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] 1869820846 UEYZBZUOIMZAFT-QGZVFWFLSA-N 461.519 0.415 5 10 JCBE Cc1c(C(=O)Nc2nc(N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869952744 MYENJBPRKPCGKJ-GFCCVEGCSA-N 495.474 0.851 5 10 JCBE CN1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869961726 YGSIOEGXGSJUEJ-BBOMDTFKSA-N 475.531 0.950 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870079276 PHWLPBWKWTTZGE-AWEZNQCLSA-N 482.519 0.897 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865719276 WUPBOAXPPQLNRI-HNNXBMFYSA-N 473.486 0.618 5 10 JCBE CC(C)CNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865720746 VUFKVVZRZNRYHQ-HNNXBMFYSA-N 487.469 0.230 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCCc1ncc2ccccn12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791161 COLAEGWYLSAUGG-LJQANCHMSA-N 496.524 0.919 5 10 JCBE CCCCN(CCO)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871622079 ZGICLZXIOIOXCS-UHFFFAOYSA-N 463.539 0.949 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(S(=O)(=O)NC(=O)N=c2nc[nH][nH]2)cc1 1858997731 REOBAHSAUHWFQZ-UHFFFAOYSA-N 473.471 0.547 5 10 JCBE O=C(N=c1nc[nH][nH]1)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858997778 UMYALSSJPNKMQX-UHFFFAOYSA-N 459.444 0.618 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865736181 JXEANRJREYEAHR-HNNXBMFYSA-N 471.470 0.795 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807521 ZXMCCYKJQHDDDP-ZBFHGGJFSA-N 488.453 0.844 5 10 JCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 1867360662 ODPZBWYZJTZVQV-LEWJYISDSA-N 472.498 0.884 5 10 JCBE CCn1cccc(C(=O)Nc2ccc(CC(=O)N3CCN(CCO)CC3)cc2[N+](=O)[O-])c1=O 1860839962 XUDJDOMHYUOAJC-UHFFFAOYSA-N 457.487 0.708 5 10 JCBE CN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865735836 DCLIZWXXEAOPQA-CQSZACIVSA-N 490.904 0.114 5 10 JCBE CCN(CCO)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C(C)(C)C)n1 1870048399 MLYDQABBXXPBDZ-UHFFFAOYSA-N 459.463 0.995 5 10 JCBE CCOc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 804014124 QEVNIMDJYRQNBQ-OAHLLOKOSA-N 455.489 0.482 5 10 JCBE CNC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870564883 KEXGNCIKKLOUIB-UHFFFAOYSA-N 459.503 0.850 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)N[C@@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 1873000898 XZEBGXPMMHOESG-HEHGZKQESA-N 462.459 0.625 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1873678126 ACPFDYOQWXVDJO-HUUCEWRRSA-N 493.476 0.505 5 10 JCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 1867873942 KDXOVBGXQJUALC-GAJHUEQPSA-N 473.482 0.961 5 10 JCBE CCN1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578049 MZAVXVXWDGIBTC-UHFFFAOYSA-N 463.930 0.711 5 10 JCBE O=C1[C@H]2C=CN(c3ccc([N+](=O)[O-])cn3)[C@H]1[C@H]1C(=O)C[C@@H](O)[C@H]2N1c1ccc([N+](=O)[O-])cn1 1614307988 SOGWUELHZVPHEK-HOHJNREFSA-N 452.383 0.772 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccncc1)=C(N)O2 1865715979 ODUZZVBBTHJKCQ-OAHLLOKOSA-N 480.437 0.104 5 10 JCBE CCCCOCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707955 UQLCPXKBDFEGKQ-UHFFFAOYSA-N 479.538 0.786 5 10 JCBE CCc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cc1[N+](=O)[O-] 1873017035 HCSRATSEVWQNMU-GOSISDBHSA-N 473.530 0.513 5 10 JCBE Cc1nnc(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CCN3CCOCC3)c2=N)s1 101077447 QEEHCCBBFLRHGN-UHFFFAOYSA-N 466.527 0.873 5 10 JCBE CCN1CCN(c2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 606629747 GGUVDIMZYLPOKG-OAHLLOKOSA-N 473.490 0.326 5 10 JCBE O=C(NCCN1CCOCC1)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858645953 ZFHPBQLSTDPRBC-UHFFFAOYSA-N 491.526 0.845 5 10 JCBE C[C@@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C)CC1 1870397471 HAIVCIKKZDQSGK-MRXNPFEDSA-N 459.503 0.902 5 10 JCBE CN1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520626 QIAQRLBVJVYEQT-UHFFFAOYSA-N 457.539 0.253 5 10 JCBE CC1(C)S[C@H]2[C@H](NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2[C@H]1C(=O)O 1866024251 STLNYXDTOKAXGO-GLJUWKHASA-N 476.467 0.603 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820920 HVOZGWANYDCLAY-OAHLLOKOSA-N 460.399 0.932 5 10 JCBE COc1ccc(-n2nc(N3CC(O)C3)nc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869998950 SGULYDPZOCSVDJ-UHFFFAOYSA-N 493.436 0.600 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1870003625 OBUPUFRFYFZWRE-SNVBAGLBSA-N 456.868 0.633 5 10 JCBE CCOC(=O)N1CCN(C(=O)Cc2nonc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1872642181 ZCKAWPAVMNLKRZ-UHFFFAOYSA-N 462.419 0.839 5 10 JCBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)CCn1c2ccccc2c2nc3ccccc3nc21 170567277 WPKQXJPPVXJYSN-ZZTDLJEGSA-N 468.510 0.022 5 10 JCBE CC(=O)NCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864949108 PBCDSOMSEAGHEE-GFCCVEGCSA-N 484.391 1.000 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619304 HGQVHDLJIUZAET-UHFFFAOYSA-N 458.523 0.245 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)N[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 1873000896 XZEBGXPMMHOESG-DVOMOZLQSA-N 462.459 0.625 5 10 JCBE CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1 14019650 ALKFWTXSHBUHHI-RJRGJIPSSA-N 474.470 0.511 5 10 JCBE CC(=O)Oc1ccc([C@@H]2N[C@](CO)(C(=O)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)cc1 253488648 BIEBTJUMSWLSLU-QLDGJZPUSA-N 469.406 0.786 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 1861809615 OYIQLVPGKDNRGE-MAUKXSAKSA-N 465.463 0.225 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 1865731905 BAPBTOGVQGSQEI-LALPHHSUSA-N 471.470 0.323 5 10 JCBE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867831853 JKZIBPKGJCNCTH-AWEZNQCLSA-N 453.408 0.197 5 10 JCBE Cc1cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867861421 CUQKUCIILFXFGB-MRXNPFEDSA-N 464.500 0.431 5 10 JCBE CN1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCCO)CC1 1870398829 ZZVCALORLZGFDX-UHFFFAOYSA-N 459.503 0.904 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCCO)[nH]2)ccc1Cl 1871577925 HYUUEEWVRACBML-UHFFFAOYSA-N 455.903 0.386 5 10 JCBE O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)cc1 96077845 RMYYPCIAJWYVHZ-LRCAOYNASA-N 499.398 0.755 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1535482174 KCYOMCIHIZLCNY-OAHLLOKOSA-N 453.521 0.275 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@@H]1CO)=C(N)O2 1865739470 OSHPJAFKURRECV-RISCZKNCSA-N 491.888 0.324 5 10 JCBE CCN1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870043641 AVAYDJZYYHVKCL-MRXNPFEDSA-N 477.547 0.670 5 10 JCBE CS(=O)(=O)Nc1nc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)cs1 1860356789 AHIKZZHJOTURGU-MNOVXSKESA-N 453.502 0.773 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 1867912253 TXASOFPKLWNRSU-KRWDZBQOSA-N 455.943 0.871 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1870004277 UUDBQPBUWBTISM-SNVBAGLBSA-N 456.868 0.633 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870061549 BSPZJLZGXCKLBC-CQSZACIVSA-N 464.504 0.688 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873699539 DMUWRUVFNZRRSU-GJZGRUSLSA-N 465.466 0.588 5 10 JCBE C[C@H](O)Cn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C)CC1 1870397470 HAIVCIKKZDQSGK-INIZCTEOSA-N 459.503 0.902 5 10 JCBE Nc1ccc([N+](=O)[O-])cc1-n1c(=O)c2cc3c(=O)n(-c4cc([N+](=O)[O-])ccc4N)c(=O)c3cc2c1=O 59519579 WLGXFVSDIJCCST-UHFFFAOYSA-N 488.372 0.872 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865715853 LJLNBWRAUGLSQK-CQSZACIVSA-N 459.459 0.228 5 10 JCBE COC(=O)C1CCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)CC1 1860906129 QGHRUKNHDVSIGT-UHFFFAOYSA-N 458.431 0.504 5 10 JCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 1867360696 ONGHPLKENKWTGV-VXKWHMMOSA-N 485.541 0.799 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCC(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820559 FDQREDGLLLKHNE-GOSISDBHSA-N 485.453 0.603 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1869959160 OYQYOPBZLCQUJW-GFCCVEGCSA-N 488.910 0.243 5 10 JCBE O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC[C@@H]1CCCO1 14005566 ZMRTVEMYMPPTHZ-GJZGRUSLSA-N 495.470 0.430 5 10 JCBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)CCn1c2ccccc2c2nc3ccccc3nc21 170567274 WPKQXJPPVXJYSN-JFSTXAPLSA-N 468.510 0.022 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1865717129 PMJQXXPWPPXKEH-SMDDNHRTSA-N 491.888 0.635 5 10 JCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 1867360694 ONGHPLKENKWTGV-FCHUYYIVSA-N 485.541 0.799 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn12 1867771207 JNRBCSLEWFOSLB-LLVKDONJSA-N 453.868 0.505 5 10 JCBE CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870354959 HHMCDKLDXRTTIZ-UHFFFAOYSA-N 473.530 0.976 5 10 JCBE CCCNC(=O)COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870681737 KYMHUORCNBATDG-UHFFFAOYSA-N 473.530 0.976 5 10 JCBE CN1CCCN(c2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)nc3[nH]cnc23)CC1 1873703143 SKDPSZWUCHPSHF-UHFFFAOYSA-N 479.457 0.638 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 1867359592 BXYIXNZCNMDLLX-ROUUACIJSA-N 460.418 0.962 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791645 QSIYYDJYCVFKGK-KXBFYZLASA-N 499.524 0.729 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871641238 JUXGNLSGYHZLSB-UHFFFAOYSA-N 497.560 0.769 5 10 JCBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871644302 VYGNUNHMOKRGJN-UHFFFAOYSA-N 462.492 0.211 5 10 JCBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871645770 PHFAFHMENMZQHF-UHFFFAOYSA-N 458.523 0.646 5 10 JCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867818929 QHTBUKSVYSCSTP-ZDUSSCGKSA-N 453.408 0.115 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCn1c(O)nc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834289 SBOAVNLCAGDAHS-HNNXBMFYSA-N 458.387 0.465 5 10 JCBE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843754 BPZLCWLFNRBVKM-CQSZACIVSA-N 481.462 0.896 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865734781 QMYJPKJQUHGDBQ-INIZCTEOSA-N 484.513 0.239 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806417 JCKUCXBCICWJCC-WBVHZDCISA-N 463.443 0.561 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H]3CCCO3)[nH]2)ccc1Cl 1871575429 BENRZYXTYGUJSA-CYBMUJFWSA-N 453.887 0.403 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 1891623231 KDVPKXXEEOCCSN-UHFFFAOYSA-N 462.426 0.515 5 10 JCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 1867359995 GUNMRJRTECJDEI-VGSWGCGISA-N 459.455 0.653 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCN1CCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792956 NOGGWXFKQRDORM-IBGZPJMESA-N 483.525 0.701 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)nc2O)C1 2328057999 BORBSWRJLWXGOJ-QGZVFWFLSA-N 455.475 0.933 5 10 JCBE CCOC(=O)/C=c1\s/c(=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 12566188 COOXIXHXTHLUOA-OYMIZJHCSA-N 495.941 0.939 5 10 JCBE Cc1cccc(-n2c(=O)/c(=C\c3ccc([N+](=O)[O-])cc3)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 606630079 JRPFXAPLNFQOOX-SFQUDFHCSA-N 458.434 0.800 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861806142 GXBIVSPZPMJYIU-NSHDSACASA-N 465.444 0.894 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 1865623416 BMHUMZXQFWAHDH-LLVKDONJSA-N 455.349 0.950 5 10 JCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865723315 MUTQNUAKKIVCIL-OAHLLOKOSA-N 472.502 0.145 5 10 JCBE C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867800648 YWJYLDJJVXXJDB-HNAYVOBHSA-N 483.525 0.841 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822427 XAMRXHNWDJHRIA-KRWDZBQOSA-N 488.457 0.723 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cccc1[N+](=O)[O-] 1871641532 DHNDFPWTGIQOPM-OAHLLOKOSA-N 456.507 0.968 5 10 JCBE COCCN(CCOC)c1nc(=NCCOCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645223 MYFSYNYTFAKHCU-UHFFFAOYSA-N 465.511 0.196 5 10 JCBE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858327612 RQJYJDKGNTYYBL-GFCCVEGCSA-N 482.496 0.781 5 10 JCBE CN(C[C@H](O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868046643 DSZJOJQHNDNLDD-LLVKDONJSA-N 482.496 0.050 5 10 JCBE COCCN(CCOC)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706049 XFADMHLBVQSCMS-UHFFFAOYSA-N 478.554 0.839 5 10 JCBE O=C1CCCN1CCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574423 JJMYSRBYRGUTIB-UHFFFAOYSA-N 462.898 0.626 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)NCCN2C(=O)CSC2=O)c([N+](=O)[O-])c1 1872703593 RDYQTLSROLNNAK-UHFFFAOYSA-N 480.415 0.429 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccco1)=C(N)O2 1865716463 AJRICIYKMNWACG-CQSZACIVSA-N 453.411 0.596 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1869959161 OYQYOPBZLCQUJW-LBPRGKRZSA-N 488.910 0.243 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102213222 MHAQOFAFDHVKQE-ILRSOXBSSA-N 483.382 0.479 5 10 JCBE COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](O)[C@H](O)[C@H]1OC2=O 1616183354 FYHDVZOWQSEFHF-UIFITFLSSA-N 477.378 0.572 5 10 JCBE biogenic CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705987349 FZDVTPGVVITEAL-GOSISDBHSA-N 477.547 0.946 5 10 JCBE C[C@H]1CN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)C[C@@H](C)O1 1869951275 UGCBQVLDJUFAAX-ZENOOKHLSA-N 464.504 0.834 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869952425 CEDIQYKTRGJOKN-CYBMUJFWSA-N 466.476 0.643 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871646354 ZUMQAPACPGDPKR-UHFFFAOYSA-N 460.495 0.748 5 10 JCBE CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1 1872984324 WXTAXJARIJKUJC-NHYWBVRUSA-N 452.851 0.881 5 10 JCBE CN(C)CCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870668481 XTGDZAUSLFJNKK-UHFFFAOYSA-N 472.546 0.895 5 10 JCBE COCCNC(=O)COc1cn(CCOCCO)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870966302 AQMAPQHDJZPMRY-UHFFFAOYSA-N 478.502 0.827 5 10 JCBE Cc1ccc(-n2nnnc2CN2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1891985655 QJVKEOSUMPZXJL-UHFFFAOYSA-N 490.480 0.819 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1861129704 KINCSVYTZGQQMV-KXPUMZMLSA-N 461.475 0.705 5 10 JCBE Cc1nnc2ccc(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)nn12 1891575873 DLNFNWRSTJCLHQ-UHFFFAOYSA-N 450.415 0.286 5 10 JCBE CCN=c1[nH]c(C)cc(=NCCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]1 1891688507 VBYXAMRQWYYMRK-SFHVURJKSA-N 491.574 0.740 5 10 JCBE O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 97975569 UZMKMTNQYIJXTD-JBINPLMMSA-N 465.411 0.000 5 10 JCBE in-vitro Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 1861011010 QMJIGZALYDWART-QGZVFWFLSA-N 491.526 0.273 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705225 DRJYACGVXALDNI-UHFFFAOYSA-N 489.581 0.244 5 10 JCBE COc1ccc(NC(=O)COc2cccnc2NC(=O)NCC(=O)NCC(=O)O)c([N+](=O)[O-])c1 1858784234 IQQFLSJTKYESNM-UHFFFAOYSA-N 476.402 0.338 5 10 JCBE CCc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806677 LLMAFXQPVDYJJI-MRXNPFEDSA-N 475.454 0.987 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1867883439 NILITZVXVWPHHV-ZDUSSCGKSA-N 474.923 0.895 5 10 JCBE O=C(O)CN1C(=O)c2ccc(C(=O)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2C1=O 1869624942 YPVYVEHJLMCLHC-UHFFFAOYSA-N 452.379 0.595 5 10 JCBE COc1ccc(CN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871521575 MEJWKPKRPHUGOL-UHFFFAOYSA-N 455.475 0.779 5 10 JCBE COCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865715467 ARGXXEUVZCSSCD-LBPRGKRZSA-N 465.850 0.103 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1891727821 YEOCTQXYUBXZCT-GFCCVEGCSA-N 466.406 0.884 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)CC1 2330634988 KYVOTNRZHWHNHB-QGZVFWFLSA-N 461.475 0.705 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867835048 ZJLRBLOYYAYLCC-MRXNPFEDSA-N 481.443 0.152 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867846472 OIYGEMZJMIUVIG-CYBMUJFWSA-N 476.398 0.633 5 10 JCBE Nc1cc2c(nn1)CC[N+](C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)C2 72306981 OECDBDGHPBPYIX-QZTJIDSGSA-N 481.577 0.502 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867359965 GOJYSBQHBJCXRU-SFHVURJKSA-N 456.455 0.731 5 10 JCBE O=C1CO[C@H](C2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1 1892110759 DIHFGPDRFNZPBM-OALUTQOASA-N 480.543 0.892 5 10 JCBE O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1ccc3c(c1)OCCO3)N[C@]2(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 247351792 CLHDCMDRHSOAEG-MSQSPTIYSA-N 453.407 0.965 5 10 JCBE COCC(=O)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858657490 VTVHCYDCFXADGA-UHFFFAOYSA-N 492.514 0.473 5 10 JCBE O=C(NCC(=O)N1CCN(CCO)CC1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1860843606 DNHNGVQJTGLJRO-UHFFFAOYSA-N 455.471 0.713 5 10 JCBE COCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865719293 XFTJLBPYZCPIEW-ZDUSSCGKSA-N 479.877 0.493 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1867772193 SQLXLCHUVNLDHC-INIZCTEOSA-N 455.943 0.871 5 10 JCBE CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869761748 ZOQOMGALQBJKPN-MRXNPFEDSA-N 458.523 0.955 5 10 JCBE CC(=O)N1CCN(C(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)CC1 1860879202 UWFICRCVDPZRTH-HXUWFJFHSA-N 472.546 0.642 5 10 JCBE CN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870030215 ZCTRXPKKBCPOPA-NSHDSACASA-N 469.436 0.135 5 10 JCBE O=c1cc(CN(CCO)CCO)n(CCCO)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870589751 GJPJWOKQTQJDLJ-UHFFFAOYSA-N 479.486 0.371 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCO)[nH]2)cccc1[N+](=O)[O-] 1871645850 PZJZUARRWVQDDJ-UHFFFAOYSA-N 466.506 0.587 5 10 JCBE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nn[nH][nH]3)cc2)cccc1[N+](=O)[O-] 1858999237 QEMVHXNVKWPJOU-UHFFFAOYSA-N 474.459 0.321 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccncc1)=C(N)O2 1865715483 BGQZFRONYQUPBF-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE CC(=O)NCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521897 ZBAJHHGJPSFOGF-UHFFFAOYSA-N 479.505 0.032 5 10 JCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nn[nH][nH]3)cc2)ccc1[N+](=O)[O-] 1858999335 AJGSSBMZANRGLX-UHFFFAOYSA-N 490.458 0.021 5 10 JCBE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865731895 AVBHFPLKSLBOCV-IAQYHMDHSA-N 471.470 0.793 5 10 JCBE Cn1c(CNC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867781583 DNQKYLZZAJHZNU-UHFFFAOYSA-N 480.481 0.725 5 10 JCBE COc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867822040 SMISOSHPWOQISN-CQSZACIVSA-N 476.398 0.633 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867847347 SEPMJSSVPUBGRV-TZMCWYRMSA-N 472.476 0.233 5 10 JCBE COc1cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc(c1OC)c2c34 257527443 QXQRDKINPINYFD-SXJNHANSSA-N 476.390 0.334 5 10 JCBE biogenic CCOc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 804014123 QEVNIMDJYRQNBQ-HNNXBMFYSA-N 455.489 0.482 5 10 JCBE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867830406 AIMCOGWHHMGKLA-HNNXBMFYSA-N 467.435 0.587 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 1867849712 VOEHKMRFZOOXMQ-KBXCAEBGSA-N 499.480 0.992 5 10 JCBE Cn1nc(N2CCC(C(N)=O)CC2)nc1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870065393 FMNUUPOSGUMTCS-UHFFFAOYSA-N 484.473 0.440 5 10 JCBE O=C1CSC(=O)N1CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519363 RETAWHJBSVTEJF-UHFFFAOYSA-N 488.530 0.683 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NC[C@H](C)O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645359 KFXPJCMTBUQZKM-ZDUSSCGKSA-N 460.495 0.747 5 10 JCBE O=C(Cc1nonc1OCC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1C(=O)CSC1=O 1872652451 PGUWVUSVJJAEBQ-UHFFFAOYSA-N 464.416 0.349 5 10 JCBE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 1860846847 XWFRGOFUKUDXNE-UHFFFAOYSA-N 483.547 0.534 5 10 JCBE Cn1nnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCCO 1870249186 WEQBHYRBGRCCMC-UHFFFAOYSA-N 475.487 0.972 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)ccc1Cl 1871575721 OBIMOUUDPAMHOK-HNNXBMFYSA-N 478.941 0.726 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871646155 VMYPTIRVJZYUPS-AWEZNQCLSA-N 466.506 0.585 5 10 JCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCN=c2ccc(=Nc3ccccn3)[nH][nH]2)cc1[N+](=O)[O-] 585187266 JYOCORFTZKDTIN-UHFFFAOYSA-N 474.459 0.974 5 10 JCBE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)cccc1[N+](=O)[O-] 1858979690 WPENUCIKBLKXNE-UHFFFAOYSA-N 464.456 0.948 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867797319 YRGXPPASPDLTAF-DZGCQCFKSA-N 456.521 0.083 5 10 JCBE CCOCCCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706733 CGCVNMLPOBVLJS-UHFFFAOYSA-N 474.522 0.883 5 10 JCBE NC(=O)C1CCN(c2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCC(C(N)=O)CC3)n2)CC1 1871730887 IAVBYEHSWDQLSI-UHFFFAOYSA-N 469.506 0.927 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N(C)CCO)=C(N)O2 1865584095 BUISLOPEFNIHDP-MRXNPFEDSA-N 459.459 0.807 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccccc1)=C(N)O2 1865716199 UXZOMYCAZZWECN-MRXNPFEDSA-N 479.449 0.709 5 10 JCBE CN1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869960898 JYOXLZLWPWREET-HNNXBMFYSA-N 463.520 0.479 5 10 JCBE COCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870396716 VRVVGGUBUOYDMC-UHFFFAOYSA-N 489.529 0.530 5 10 JCBE CN1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871575907 VNYIJVFAFRRDTQ-UHFFFAOYSA-N 477.957 0.517 5 10 JCBE CN(C)c1nc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N(C)C)n1 1891569866 QBXKHWPUGHQPIL-MRXNPFEDSA-N 492.562 0.771 5 10 JCBE C[C@H](C(=O)NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1C(=O)c2ccccc2C1=O 1860826281 KOUGLDSATWBUJE-OAHLLOKOSA-N 480.481 0.829 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861801864 WZUJJZAPOMGYLD-UHFFFAOYSA-N 465.444 0.548 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)cc1[N+](=O)[O-] 1867795032 BWVUKUXYEUYFJO-MRXNPFEDSA-N 468.470 0.315 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 1867850151 ZRLOBEYQJUXUEJ-MRXNPFEDSA-N 480.522 0.434 5 10 JCBE CCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(CCO)CCO 1870696349 CVSNVDBPDLCVOK-UHFFFAOYSA-N 478.502 0.979 5 10 JCBE CN(C)S(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1859567807 CXNMEKUCIPGCMB-UHFFFAOYSA-N 460.468 0.800 5 10 JCBE COCCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869975354 KZEXPOSQXXTCSC-KRWDZBQOSA-N 493.546 0.848 5 10 JCBE CCN1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871517976 LRYRSDFFOHAQJR-UHFFFAOYSA-N 457.539 0.253 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 1859288012 OBTDHDFYIADZEW-UHFFFAOYSA-N 455.537 0.691 5 10 JCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCO)[nH]c(=Nc4ccc5c(c4)OCO5)[nH]3)CC2)cc1 1871537378 IRXNOEYRWAZVRM-UHFFFAOYSA-N 480.485 0.827 5 10 JCBE O=C(Cc1nonc1OCc1cc([N+](=O)[O-])cc2c1OCOC2)NCCCN1CCOCC1 1872655574 XYYYNMXPCGGYQE-UHFFFAOYSA-N 463.447 0.804 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1872917422 AYCLZSPWIWMBOB-GOSISDBHSA-N 473.530 0.953 5 10 JCBE COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 586327949 JITGVPFSTQAQSV-SSEXGKCCSA-N 470.485 0.577 5 10 JCBE CCOC(=O)N1CCN(c2nc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870070033 KFGRLBJLIJXWHU-UHFFFAOYSA-N 486.445 0.237 5 10 JCBE O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892371659 AJUYHQPTRYFSNU-OALUTQOASA-N 480.543 0.988 5 10 JCBE CCOC(=O)/C=c1/s/c(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 33551792 COOXIXHXTHLUOA-LMCDAWOKSA-N 495.941 0.939 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCC(CO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869982137 OFTWKOZLDWUMGW-MRXNPFEDSA-N 478.531 0.936 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864945699 ICYVAYIAKSHGDI-QGZVFWFLSA-N 458.475 0.485 5 10 JCBE CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868598735 OWLIEROKMFTEOX-YJBOKZPZSA-N 452.533 0.963 5 10 JCBE C[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868819570 JVPJXMGLZPZFLA-HOTGVXAUSA-N 452.533 0.963 5 10 JCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869863016 IIPDDJJAABDRAX-HNNXBMFYSA-N 481.937 0.760 5 10 JCBE COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)cc4c(=O)oc1c2c34 257552020 UDWUZPSSUIWBKB-PEDPGLLWSA-N 462.363 0.031 5 10 JCBE biogenic CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 616584624 AGWYHLDAEVAMEC-QFCZJPRCSA-N 496.425 0.408 5 10 JCBE COCCNC(=O)COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870526909 FCLULAZQYOQRRJ-UHFFFAOYSA-N 489.529 0.212 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621794 WZNRJKGOPAVOGI-UHFFFAOYSA-N 474.522 0.052 5 10 JCBE NS(=O)(=O)c1cc2c(cc1Cl)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)CNS2(=O)=O 58901896 ISHRYMSXZYMFMX-UHFFFAOYSA-N 460.877 0.721 5 10 JCBE O=C(N=c1nc(N2CCC3(CC2)OCCO3)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1869975437 XCQJVACCDVRCAO-INIZCTEOSA-N 492.514 0.563 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706652 LNJFQYWQHRRVKA-AWEZNQCLSA-N 482.505 0.285 5 10 JCBE O=[N+]([O-])c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1 199636634 YAIBRORGTOILTJ-LSCFUAHRSA-N 482.346 0.075 5 10 JCBE CN(C)S(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859567762 AOYUSKUUIWEDMX-UHFFFAOYSA-N 460.468 0.800 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccncc1)=C(N)O2 1865716238 VUAWDAZVIYEGIN-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccccn1)=C(N)O2 1865716867 KLMYULNSRZJQQJ-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865718040 GIKXJYHYEQKZDD-HNNXBMFYSA-N 473.486 0.618 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520107 CSGMOVZMUUVBFK-UHFFFAOYSA-N 459.555 0.235 5 10 JCBE CCN1CCN(c2nc(=NCCCN(C)C)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871705634 NXOAPLKSTPWPHG-UHFFFAOYSA-N 459.555 0.881 5 10 JCBE Cc1nc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc(-n2cccn2)n1 1891638486 OCPUJKPUEGPIJH-UHFFFAOYSA-N 476.453 0.824 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 2330671218 MAUNEHFTAREBCR-JKSUJKDBSA-N 454.439 0.924 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cccc1[N+](=O)[O-] 1871641336 OLVGQFBZPFBARF-UHFFFAOYSA-N 499.576 0.214 5 10 JCBE Cc1cc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)nc(N(C)C)n1 1890453667 PNBSILOAUHALLD-UHFFFAOYSA-N 453.459 0.704 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870051152 BZCGMAPNHWHCMT-AWEZNQCLSA-N 452.493 0.925 5 10 JCBE O=C(COc1cn(C[C@H]2CCCO2)c(CN(CCO)CCO)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397865 WTKSPQXZXHIOOY-HXUWFJFHSA-N 490.513 0.740 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCN(C)CC3)cc2=O)c([N+](=O)[O-])c1 1870696469 IUXQOPICBJSUFC-INIZCTEOSA-N 489.529 0.911 5 10 JCBE COCCNC(=O)COc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870967051 NJXCDRALEPNCEE-UHFFFAOYSA-N 494.501 0.528 5 10 JCBE C[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867791132 CIFFIJTZGXOQNW-FDDCHVKYSA-N 472.498 0.546 5 10 JCBE CCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867791670 RDJQLRRPORCRNT-INIZCTEOSA-N 493.517 0.125 5 10 JCBE CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867785388 QKWXVNJIIBKCAK-HNNXBMFYSA-N 463.491 0.499 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 1867806770 MUZLMHCCHBTWLA-INIZCTEOSA-N 481.550 0.235 5 10 JCBE NC(=O)C1CCN(Cc2cc(=O)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cn2CCO)CC1 1870590736 FOVVXQLFAADFET-UHFFFAOYSA-N 488.497 0.892 5 10 JCBE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)s1 1858338708 IQBDYWSHXTWZPL-JTQLQIEISA-N 476.518 0.146 5 10 JCBE CC(=O)COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9066326 CUVDIIOWDTVBRQ-UHFFFAOYSA-N 455.489 0.964 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2O)CC1 1860896156 HCNONOTVVOZMQB-FNORWQNLSA-N 469.458 0.761 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867359964 GOJYSBQHBJCXRU-GOSISDBHSA-N 456.455 0.731 5 10 JCBE CCN(CC)CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521129 RXWLBTFXWRDNCM-UHFFFAOYSA-N 457.539 0.823 5 10 JCBE C[C@H](O)CN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576058 CWVUCWDRRDYUFN-ZDUSSCGKSA-N 486.924 0.930 5 10 JCBE CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 1690867665 CDBPSPHWYWYCSE-HXUWFJFHSA-N 484.561 0.980 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1867291008 HBXICEQWMPJKJO-ZDUSSCGKSA-N 462.381 0.820 5 10 JCBE CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892416473 ZXEAQHCKXUUYLM-MRXNPFEDSA-N 460.534 0.242 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2325423472 SBOQTSHEWFALGS-UHFFFAOYSA-N 462.440 0.997 5 10 JCBE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 1858002637 RBEUSKWTBDOOAX-SFHVURJKSA-N 463.468 0.549 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H]2CN(Cc3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867796043 QYNMMWJFJGUKDP-QZTJIDSGSA-N 485.497 0.889 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870076903 XSFCUQHMSYFPHP-UHFFFAOYSA-N 489.489 0.837 5 10 JCBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCN2CCCC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793913 MJCZYWYGQABCKZ-RHSMWYFYSA-N 463.447 0.516 5 10 JCBE Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867785968 XBTHAOTXEWMXAS-GOSISDBHSA-N 494.508 0.849 5 10 JCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(O)CC1 1870398435 QZRRZLNHORLDSM-UHFFFAOYSA-N 487.513 0.867 5 10 JCBE NC(=O)C[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COc2ccccc2O1 2330635141 KIRAEVTUVKLQTC-IRXDYDNUSA-N 454.439 0.924 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870051368 GGVCHPZNMNLKJI-LBPRGKRZSA-N 498.518 0.634 5 10 JCBE CCN1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520635 QNNJGDRUBVAWBU-UHFFFAOYSA-N 471.566 0.643 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 2037814231 AGWYHLDAEVAMEC-NJYSJTHYSA-N 496.425 0.408 5 10 JCBE CN(C[C@@H](O)CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1ccccc1 1868045313 BDUTWTZWMXIFPU-AWEZNQCLSA-N 490.494 0.379 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)OCCn3nc4ccccn4c3=O)cc2[N+](=O)[O-])CC1 914618642 FYAUGGSUAJJBKN-UHFFFAOYSA-N 454.443 0.930 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCc3cnc[nH]3)[nH]2)ccc1Cl 1871576023 BAPKGBVCQZBNFC-UHFFFAOYSA-N 488.940 0.513 5 10 JCBE CC(C)(C)OC(=O)NCCC(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 219276264 RGCQRWHUTDFWLW-UHFFFAOYSA-N 489.485 0.776 5 10 JCBE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 1083805612 AGWYHLDAEVAMEC-JLCRNFDHSA-N 496.425 0.408 5 10 JCBE CCC[C@@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861882030 WNUPJCJNKXYXEK-GOSISDBHSA-N 469.564 0.858 5 10 JCBE CN(C)c1ccc(C(=O)NCC(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1[N+](=O)[O-] 1869751745 LBTIJUMAVPJLGO-UHFFFAOYSA-N 461.500 0.623 5 10 JCBE CCNC(=O)COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870533709 URFZRNHFAZOWRQ-UHFFFAOYSA-N 459.503 0.586 5 10 JCBE C[C@@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863592433 ZLILXCMVUWMNGH-GFCCVEGCSA-N 460.468 0.493 5 10 JCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O 1867361237 SAXPFCZXWCDDMU-ZWKOTPCHSA-N 472.454 0.831 5 10 JCBE CN(C)[C@@H](CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867834881 XRKHCRSMOFTCEV-IRXDYDNUSA-N 489.441 0.742 5 10 JCBE CCN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870052228 SNDFGYOMTTYDIF-CQSZACIVSA-N 452.493 0.347 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521320 YZEATVUEAJUDMC-UHFFFAOYSA-N 485.549 0.203 5 10 JCBE Cc1c(N2C[C@@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1873017621 WXFUFHZJFLNPRA-KRWDZBQOSA-N 459.503 0.259 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867795614 MTDWFWZXAHLIMC-IRXDYDNUSA-N 471.470 0.893 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806415 JCKUCXBCICWJCC-NVXWUHKLSA-N 463.443 0.561 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCc2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 1867848386 XRJJESITBZZGOO-NSHDSACASA-N 478.447 0.069 5 10 JCBE O=C(COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)NCCCO 1872722124 PXPUFJOHCMLHAP-UHFFFAOYSA-N 478.527 0.983 5 10 JCBE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCNC(C)=O)CC3)CC2=O)cc1[N+](=O)[O-] 1872942830 IGUQQPSTDFYMQQ-MRXNPFEDSA-N 475.502 0.447 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2cc([N+](=O)[O-])ccn2)c1I 2080347779 AWCNFUOTAGQICJ-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(S(C)(=O)=O)[C@@H](C)C3)cc2[N+](=O)[O-])CC1 1458379723 XQIWHBHTJGUQOS-AWEZNQCLSA-N 453.521 0.369 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865716380 YXSKFZRAPJNGTL-AWEZNQCLSA-N 459.459 0.228 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721718 ZURWGTDICGMKCS-KRWDZBQOSA-N 498.540 0.679 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1867772194 SQLXLCHUVNLDHC-MRXNPFEDSA-N 455.943 0.871 5 10 JCBE COc1cccc([C@H](O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1867845306 HBLQXNIQOIOGAW-CRAIPNDOSA-N 462.415 0.761 5 10 JCBE CNC(=O)COc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870568152 HJJQPQCBXQRJQC-UHFFFAOYSA-N 489.529 0.212 5 10 JCBE COCCNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1859568211 RJAZDYKYGZEBMP-UHFFFAOYSA-N 490.494 0.474 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCN2CCc3ccccc32)c([N+](=O)[O-])cc1OC 1867805712 DVOOKBZFMXOTDO-INIZCTEOSA-N 458.471 0.882 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833403 LHDAAWRFTWZPGY-SJORKVTESA-N 450.379 0.973 5 10 JCBE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 1858002636 RBEUSKWTBDOOAX-GOSISDBHSA-N 463.468 0.549 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865737844 QOLOVIXVMUQXFH-OAHLLOKOSA-N 489.485 0.013 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1866639325 UBAASDNMNNYTPS-MRXNPFEDSA-N 480.499 0.892 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCc2cn3ccsc3n2)cc1[N+](=O)[O-] 1867846186 MRTRZDRSCDBAND-ZDUSSCGKSA-N 462.444 0.970 5 10 JCBE COCCN(CCOC)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCO 1870398355 OECPUVRLARTHTR-UHFFFAOYSA-N 478.502 0.861 5 10 JCBE COc1nc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N(C)C)n1 1891587358 QPZNWGHYKIHDCY-OAHLLOKOSA-N 479.519 0.714 5 10 JCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O 1867361234 SAXPFCZXWCDDMU-MSOLQXFVSA-N 472.454 0.831 5 10 JCBE CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872631717 DWCLRXSLCJVZPY-GOSISDBHSA-N 484.556 0.904 5 10 JCBE CCCN1CCN(c2ccc(N3CCN(C(=O)c4cc([N+](=O)[O-])c(=O)n(C)c4)CC3)nn2)CC1 1890289731 JOVAMABRRBPUQJ-UHFFFAOYSA-N 470.534 0.578 5 10 JCBE COC(=O)[C@]1(Oc2cc(OC)ccc2[N+](=O)[O-])OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 222092331 MEUOMACFPAJZRL-DMUMMCEESA-N 485.398 0.677 5 10 JCBE Cc1ccnc(N=c2ccc(=NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[nH][nH]2)c1 1891651820 IZUQBRNNVKIQFH-UHFFFAOYSA-N 476.453 0.500 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1866893380 UZAKGPJDTFGFDB-AWEZNQCLSA-N 467.456 0.745 5 10 JCBE O=C(NCCOCCO)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872615626 CNPHHUSZBCKGRW-INIZCTEOSA-N 455.464 0.749 5 10 JCBE CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 101178991 IMQGAARHTLJIRK-RMMWZPCPSA-N 468.415 0.630 5 10 JCBE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867357383 HBCQFXYNWUMSMU-WFASDCNBSA-N 470.529 0.572 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 1867359591 BXYIXNZCNMDLLX-QZTJIDSGSA-N 460.418 0.962 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCn1c(O)nc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792380 KHNRGLHCAZKVRS-KRWDZBQOSA-N 498.496 0.394 5 10 JCBE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858652751 XIWQYTGZDFMDCA-UHFFFAOYSA-N 462.488 0.846 5 10 JCBE CN1CCN([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867799351 BQBAHSVOMJUXDB-REWPJTCUSA-N 498.584 0.856 5 10 JCBE O=C1C[C@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1CCCn1ccnc1 1873016305 MYDSCHAVPGRUET-ULQDDVLXSA-N 454.487 0.838 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 1867820076 AEWNLDMFUGWAAK-KRWDZBQOSA-N 480.522 0.434 5 10 JCBE CC(=O)NCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(C)CCO 1870590410 VQFNLKJQTORNLJ-UHFFFAOYSA-N 476.486 0.762 5 10 JCBE COC(=O)c1cnc2nncn2c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1873766272 YLWLSCLPBLVNRH-UHFFFAOYSA-N 453.371 0.834 5 10 JCBE O=C(O)c1ccc2c(c1)C(=O)N(CC(=O)N1C[C@@H]3C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C3)C2=O 1873788993 VMVHDQVITUICCA-AAEUAGOBSA-N 466.406 0.697 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867358669 JLRVWEABMFYAID-PKOBYXMFSA-N 478.527 0.901 5 10 JCBE CN1CCN(c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869960829 HMLDPJCZQUEZTM-FUTAKVPZSA-N 475.531 0.950 5 10 JCBE CC(=O)NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCO)C2=O)cc1 1863230414 CMDLWTXUSBFZDY-UHFFFAOYSA-N 488.478 0.994 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1ccccc1[N+](=O)[O-] 1865615637 MAXSRLBMLLWQPN-SFHVURJKSA-N 456.503 0.951 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC 1867806204 HPJXDAGZCTWBHT-HOCLYGCPSA-N 468.507 0.056 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867810000 FZTJIGXCKSZCQK-UHFFFAOYSA-N 453.408 0.115 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821352 LPOUQKAZHNIWRM-NVXWUHKLSA-N 467.479 0.255 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1867909937 CBCAJXBFKNSQQC-KRWDZBQOSA-N 484.918 0.735 5 10 JCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccc3nncn3n2)CC1 1873779166 WIQCIETUYTWQHH-UHFFFAOYSA-N 464.442 0.758 5 10 JCBE CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1891704511 ZEXZRIOAVREYAM-UHFFFAOYSA-N 476.453 0.853 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1cccnc1)=C(N)O2 1865717464 WVWFCUXACOSJMX-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821355 LPOUQKAZHNIWRM-RDJZCZTQSA-N 467.479 0.255 5 10 JCBE CN(C)CCN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1866348419 XUAJCLWXIOKPBL-QGZVFWFLSA-N 453.565 0.538 5 10 JCBE Cn1nnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCO 1870248437 DMSIVPYBVLBCLU-UHFFFAOYSA-N 461.460 0.582 5 10 JCBE N=c1[nH]nc(COc2cn(CCO)c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2=O)s1 1870577964 OYJHNXMPOJLOCO-UHFFFAOYSA-N 487.542 0.914 5 10 JCBE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] 1860873795 VIIVCNYREQGTMZ-UHFFFAOYSA-N 484.531 0.771 5 10 JCBE COc1ccc([N+](=O)[O-])cc1N=c1nc(N2CCN(C(C)=O)CC2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871734757 BLZLXSFAOFFAHC-UHFFFAOYSA-N 499.532 0.291 5 10 JCBE COc1ccc(N=c2nc(N3CCN(C(C)=O)CC3)[nH]c(N3CCN(C(C)=O)CC3)n2)cc1[N+](=O)[O-] 1871735029 NUJZTZYGIBLXNK-UHFFFAOYSA-N 499.532 0.291 5 10 JCBE Cn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873568141 GQPJAYNULPQIIN-UHFFFAOYSA-N 469.502 0.942 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)cc2[N+](=O)[O-])CC1 1651430163 PKPNQSOZMUGFRI-IAGOWNOFSA-N 450.517 0.770 5 10 JCBE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736576 NAOXOSBBDRENFV-OZVIIMIRSA-N 485.497 0.897 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3cccnc3)[nH]2)cc1[N+](=O)[O-] 1871619692 GXTWYSPRBSPWBF-UHFFFAOYSA-N 454.491 0.728 5 10 JCBE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCNC(C)=O)CC3)CC2=O)cc1[N+](=O)[O-] 1872942829 IGUQQPSTDFYMQQ-INIZCTEOSA-N 475.502 0.447 5 10 JCBE CN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O 1891457301 CSIPQTORZALFMQ-OAGGEKHMSA-N 450.473 0.211 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C1 1865736128 JHTKJIARXXOGIH-WFASDCNBSA-N 455.471 0.945 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 1867850159 ZXCYKGBNUWDLOP-MRXNPFEDSA-N 488.457 0.723 5 10 JCBE CC(C)OCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520899 PTMKQTHYGXQTLO-UHFFFAOYSA-N 460.539 0.709 5 10 JCBE Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)n2)n1 1860367964 DFIQVIQTWJTBTP-CVEARBPZSA-N 465.470 0.762 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 1867805474 DLTRZWWEZFJLRU-HNNXBMFYSA-N 496.498 0.261 5 10 JCBE COc1ccc(N=c2nc(N3CCC(C(N)=O)CC3)[nH]c(N3CCC(C(N)=O)CC3)n2)cc1[N+](=O)[O-] 1871734857 HGQKJCYCIRESKF-UHFFFAOYSA-N 499.532 0.357 5 10 JCBE NS(=O)(=O)c1ccc(CNC(=O)c2nonc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1872710038 PZZIWBXQNDCBOA-UHFFFAOYSA-N 476.427 0.573 5 10 JCBE CCOC(=O)/C=c1\s/c(=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1CC(=O)NC[C@H]1CCCO1 12566189 COOXIXHXTHLUOA-MUBNVCJTSA-N 495.941 0.939 5 10 JCBE COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791748 HWGMJUQDESSKIZ-PVAXWEITSA-N 456.502 0.883 5 10 JCBE CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)s1 1858334254 ONWBHADZKVWCQE-JTQLQIEISA-N 476.518 0.146 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCO)=C(N)O2 1864893403 AAUXGVDOVBPXQJ-MRXNPFEDSA-N 459.459 0.855 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867845601 IZOSRXYLUMPPRS-HOTGVXAUSA-N 467.479 0.255 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870076813 TXLPCACMBOBRBA-UHFFFAOYSA-N 461.435 0.057 5 10 JCBE COC(=O)c1cc(Nc2ncnc(N3CCN(CCO)CC3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40593823 LURYULCTVFQYRR-UHFFFAOYSA-N 460.447 0.816 5 10 JCBE O=C(NCCNC(=S)NCCN1C(=O)CSC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586403037 LICMQAHWIJEPJW-UHFFFAOYSA-N 456.462 0.392 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)[C@H](C)C1 1286876045 ICPNSBRCKUONLV-OAHLLOKOSA-N 477.547 0.946 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865732389 LIWMOPFKRUQEOE-OAHLLOKOSA-N 487.469 0.098 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C(C)(C)C)n2)CC1 1869942323 KQSMOAFFQZGIII-UHFFFAOYSA-N 498.500 0.845 5 10 JCBE Cc1ccc(N=c2ccc(N3CCN(C(=O)c4cc([N+](=O)[O-])c(=O)n(C)c4)CC3)n[nH]2)nc1 1890694152 NTWBCUVYOKYXSZ-UHFFFAOYSA-N 450.459 0.915 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792314 JCBQWFZSNAZIFL-GOSISDBHSA-N 457.487 0.666 5 10 JCBE CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCOC)CC2)c([N+](=O)[O-])c1 507515331 DMMUCAFDNSMWRA-UHFFFAOYSA-N 464.566 0.724 5 10 JCBE O=C(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 916960036 AJNUSYVKXAEGKT-NSHDSACASA-N 481.405 0.932 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865725213 GNJAHHBKVSLCDP-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE CN(CCO)c1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 2331851513 IUXMGIYCEIZKND-OAHLLOKOSA-N 450.477 0.626 5 10 JCBE NS(=O)(=O)c1ccc(CN=c2nc(N3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871520365 MUPHNXXMIDXLGN-UHFFFAOYSA-N 486.514 0.463 5 10 JCBE CC(C)(C)OC(=O)NCCC(=O)NCCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219491712 UJWUGRUACZOJIW-UHFFFAOYSA-N 477.474 0.728 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccncc3)[nH]2)c1 1871519977 FNHINAKIVSIUJP-UHFFFAOYSA-N 451.491 0.489 5 10 JCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N(C)CC(=O)O)cc2)ccc1[N+](=O)[O-] 1858985780 CHVQVMHHRZZQDD-UHFFFAOYSA-N 494.482 0.991 5 10 JCBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863591591 JCOAABYBRUTSGB-UHFFFAOYSA-N 487.494 0.248 5 10 JCBE CN(CCO)c1nc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870031202 WGSKRDIJOBNAOJ-UHFFFAOYSA-N 459.463 0.947 5 10 JCBE CNC(=O)COc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870569216 TXXVDSRVPPDOMO-MRXNPFEDSA-N 459.503 0.584 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@H](C)C3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708661 WEVQPCOERMRMSA-BETUJISGSA-N 460.495 0.537 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867357430 HSWSJFIFCWJHJL-GOSISDBHSA-N 474.445 0.871 5 10 JCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1867349062 KGSREWHNIKLBCL-QGZVFWFLSA-N 478.527 0.901 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871619769 SWCZWMAYMJXKPP-UHFFFAOYSA-N 480.533 0.976 5 10 JCBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867359675 RXYBGKAEFZJGPP-JKSUJKDBSA-N 484.556 0.963 5 10 JCBE COC(=O)[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 22065182 CTOASCJVNQFYNH-CNMWIUBYSA-N 455.372 0.667 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CC1 1690838456 JNWFYMIPAOUCCI-UHFFFAOYSA-N 457.491 0.771 5 10 JCBE COc1cc(C(=O)NCC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1867794181 HHUDSVPVHAXELS-UHFFFAOYSA-N 480.499 0.738 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867822610 XZPQQHCRNALNEU-MRXNPFEDSA-N 460.399 0.932 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870061548 BSPZJLZGXCKLBC-AWEZNQCLSA-N 464.504 0.688 5 10 JCBE COCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574460 KSFKKUIYTRQFGH-UHFFFAOYSA-N 452.903 0.193 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccccn3)[nH]2)cc1[N+](=O)[O-] 1871705670 OYTZHNIHORYMHK-UHFFFAOYSA-N 456.463 0.174 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867758134 RFVFBBRFLGDBBH-CQSZACIVSA-N 484.918 0.776 5 10 JCBE NS(=O)(=O)c1ccc2c(c1)CN(C(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 1869783114 HTIJFBIYIAMNSN-UHFFFAOYSA-N 463.428 0.465 5 10 JCBE Cc1nnc(CN2CCN(C(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3N)CC2)o1 59789935 OFHMKCAJRTUGJL-UHFFFAOYSA-N 459.492 0.695 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)CC1 1301721845 NMAHFTSLIOFTDZ-UHFFFAOYSA-N 463.520 0.557 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)NCCCN3CCCC3=O)c(O)n2)c1 1860896447 PPQHPAANCCGSRH-UHFFFAOYSA-N 487.473 0.808 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832891 SFIGHLKYENYRDP-GTNSWQLSSA-N 459.415 0.800 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869960702 CUHAWAVMHSJBAI-HNNXBMFYSA-N 463.520 0.858 5 10 JCBE O=C(COc1nonc1CC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc([N+](=O)[O-])c1 1872641506 HIXCMBZXKVDNPY-UHFFFAOYSA-N 468.430 0.677 5 10 JCBE NCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1O 96029174 OAFPVFZXWPVEBS-PSFFPDNBSA-N 461.504 0.658 5 10 JCBE O=C([C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 552450515 LTEPOXUUZPMSDI-QGZVFWFLSA-N 454.505 0.503 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@H](C)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1867782230 RFMQQAZTCDDGAA-LBPRGKRZSA-N 488.530 0.716 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2ccncc2[N+](=O)[O-])c1I 2080349368 YCABLLGXXRBYGN-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE CN(C)CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863590286 JLEVRLZDIFXTCA-UHFFFAOYSA-N 473.511 0.674 5 10 JCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2C[C@H](C)O)cc1[N+](=O)[O-] 1871032920 NFUVASUDVOOSTJ-HNNXBMFYSA-N 476.486 0.996 5 10 JCBE O=C1N[C@@H](CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)C(=O)Nc2ccccc21 1860165562 YOFVDSLMSKBGDN-WWGRRREGSA-N 451.439 0.843 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865734643 NJYBGDKCRCGEGE-HNNXBMFYSA-N 499.480 0.052 5 10 JCBE Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] 1869820845 UEYZBZUOIMZAFT-KRWDZBQOSA-N 461.519 0.415 5 10 JCBE Cn1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc([N+](=O)[O-])c1=O 1891740307 QJDJCJRTMOCGOS-UHFFFAOYSA-N 461.442 0.780 5 10 JCBE CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OCC)CC2)cc1[N+](=O)[O-] 20664767 QHPHTBGDPYDIIL-UHFFFAOYSA-N 457.461 0.846 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806416 JCKUCXBCICWJCC-RDJZCZTQSA-N 463.443 0.561 5 10 JCBE COCCN(CCOC)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517958 LFRXLYBQTYXWMI-UHFFFAOYSA-N 476.538 0.211 5 10 JCBE CCN(CC)CCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520454 IOAQDKLJLLKHJR-UHFFFAOYSA-N 462.555 0.692 5 10 JCBE O=C(OCn1nnc2ccccc2c1=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 9630966 UTBMDKUBVJRFMN-WBMJQRKESA-N 475.439 0.025 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cccc1[N+](=O)[O-] 1871641208 ISCNARCXCQERHC-UHFFFAOYSA-N 497.560 0.802 5 10 JCBE C[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867791133 CIFFIJTZGXOQNW-JPYJTQIMSA-N 472.498 0.546 5 10 JCBE Cn1nc(N2CCC(O)CC2)nc1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870062627 ZOHFSWPYDVIJDQ-UHFFFAOYSA-N 457.447 0.699 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1873692901 CCGGBMORIPUUNK-MRXNPFEDSA-N 493.476 0.472 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCNC(C)=O)=C(N)O2 1864893418 AJOSDRCJHRSCDW-KRWDZBQOSA-N 486.485 0.609 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865722445 RLGSRXSVFNNCQA-CQSZACIVSA-N 459.459 0.230 5 10 JCBE COc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c([N+](=O)[O-])c1 1890705444 ZNIMXMDXNASAQW-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE COCCNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859472336 SHNBGZMMFOWNGJ-UHFFFAOYSA-N 462.440 0.754 5 10 JCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869751993 QAQWDXOHJXXAKU-QGZVFWFLSA-N 490.561 0.172 5 10 JCBE COc1cc(C(=O)Nc2nc(N(C)CCO)nn2[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1870029079 GDPLVRKLAKPNOT-LLVKDONJSA-N 484.491 0.244 5 10 JCBE Cc1cc(N(C)C)nc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1 1890453700 SCTWIHNLRLEEHV-UHFFFAOYSA-N 453.459 0.704 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCN1CCOCC1)[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 1864947088 QBPPTAVWEWWXRZ-GOSISDBHSA-N 472.502 0.968 5 10 JCBE CCOCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641457 AHQNKOFEYUVOJQ-UHFFFAOYSA-N 460.539 0.628 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871706358 ZMIAKAUBPNZMGM-UHFFFAOYSA-N 472.506 0.637 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCN(CC(=O)NCCN(C)C)CC3)CC2=O)cccc1[N+](=O)[O-] 1873016442 PQWQEEVZKFTHBC-QGZVFWFLSA-N 460.535 0.078 5 10 JCBE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cnc([N+](=O)[O-])n5C)CC4)ncnc32)cc1 1891768579 NYUXPGNLFFQEOU-UHFFFAOYSA-N 464.446 0.823 5 10 JCBE COCCNS(=O)(=O)c1ccc(CNC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 170495746 BHLBBGGREFMXPX-UHFFFAOYSA-N 490.494 0.822 5 10 JCBE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 1858645483 GVRKHKSGJFSILZ-LLVKDONJSA-N 450.429 0.986 5 10 JCBE O=C(c1nn(CCO)c(-c2ccc([N+](=O)[O-])cc2)c1Cl)N1CCN(c2nncc(O)n2)CC1 1859421353 CBVUZHJKJIJCLE-UHFFFAOYSA-N 474.865 0.957 5 10 JCBE CCc1nn(C)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865648558 ZZSAAOYPGAHTAS-KRWDZBQOSA-N 456.503 0.722 5 10 JCBE CC(C)OCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865716211 VFPPVBUUVCVBKL-CQSZACIVSA-N 493.904 0.881 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCCCC1)=C(N)O2 1865717633 ASBQJUFDKXYHRK-OAHLLOKOSA-N 471.470 0.841 5 10 JCBE COc1cc(C(=O)Nc2nc(N3CCOCC3)nn2[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869953121 YCDUIKGCMUAHEL-GFCCVEGCSA-N 496.502 0.652 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1535482173 KCYOMCIHIZLCNY-HNNXBMFYSA-N 453.521 0.275 5 10 JCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865725212 GNJAHHBKVSLCDP-INIZCTEOSA-N 484.513 0.239 5 10 JCBE COc1ccc(OC)c(N=c2[nH]c(=NCc3ccc(S(N)(=O)=O)cc3)[nH]c(N)c2[N+](=O)[O-])c1 1871312517 AEOIYQMHQRNQQV-UHFFFAOYSA-N 475.487 0.831 5 10 JCBE COCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575613 JUWHOPHMTKKMPT-UHFFFAOYSA-N 466.930 0.583 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871644674 DPGVQKOHVLCOBR-UHFFFAOYSA-N 458.523 0.919 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCC(C)C)[nH]2)cc1[N+](=O)[O-] 1871708699 XGYCGYNSLAFCCR-UHFFFAOYSA-N 460.539 0.948 5 10 JCBE NS(=O)(=O)c1cc2c(cc1Cl)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CNS2(=O)=O 58901725 OVISIYDALWPKEZ-UHFFFAOYSA-N 491.847 0.700 5 10 JCBE O=C1Cc2cc(S(=O)(=O)N3CC[C@@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc2N1 1858326901 LOXNURSWYDIXAJ-CYBMUJFWSA-N 466.497 0.831 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861807403 WJTOIVYYOBISTO-LBPRGKRZSA-N 479.471 0.936 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C1 1865736419 MBWPIPRUFUOIDV-SWLSCSKDSA-N 455.471 0.945 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867788699 KJDWYQNYACDNNH-SFHVURJKSA-N 486.481 0.552 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1 1869954841 UIDYHEZDYRQICZ-UHFFFAOYSA-N 495.452 0.201 5 10 JCBE Cc1ccc(-n2nc(N3CC(O)C3)nc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869998848 NYCVOFZUTLLDHA-UHFFFAOYSA-N 477.437 0.900 5 10 JCBE CCN1CCN(c2nc(=NCCCN3CCCC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518456 GDIMELWSODSHQF-UHFFFAOYSA-N 469.550 0.934 5 10 JCBE O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2655763 VAQPYXQMASRLCP-SUMWQHHRSA-N 489.462 0.558 5 10 JCBE O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1 585175904 LLSHBYVOUCARSA-UHFFFAOYSA-N 486.489 0.370 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867358666 JLRVWEABMFYAID-HKUYNNGSSA-N 478.527 0.901 5 10 JCBE CCN(CCO)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575807 QRPMUPDSLGHRHJ-UHFFFAOYSA-N 466.930 0.583 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCC(C(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cccc1[N+](=O)[O-] 1872934279 GQOAWCAIGLBHBJ-SJORKVTESA-N 492.554 0.798 5 10 JCBE COc1cc(C(=O)NCCNS(=O)(=O)c2cccc3nonc23)c([N+](=O)[O-])cc1OC 1873694730 LAHXAIUKVHWTNV-UHFFFAOYSA-N 451.417 0.857 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858658224 BAMJQAODMJDUGK-UHFFFAOYSA-N 464.456 0.868 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867800750 ATOFYOVYJOXTHZ-MLGOLLRUSA-N 474.470 0.909 5 10 JCBE Cn1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870074016 KLZYLNXVLNVYMO-UHFFFAOYSA-N 492.456 0.075 5 10 JCBE O=C(OCn1nnc2ccccc2c1=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 3310666 UTBMDKUBVJRFMN-BLLLJJGKSA-N 475.439 0.025 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccco1)=C(N)O2 1865716462 AJRICIYKMNWACG-AWEZNQCLSA-N 453.411 0.596 5 10 JCBE Cc1nnc2ccc(OC[C@H]3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)C3)nn12 1891685675 FVKDKUHRNQKHTR-ZDUSSCGKSA-N 465.426 0.864 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])nc2O)C1 2327470686 NWFBCAHZTKRMGH-INIZCTEOSA-N 455.475 0.933 5 10 JCBE Cc1cc(C(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(S(N)(=O)=O)c1 1869044904 ULEWOAZALDHHJP-UHFFFAOYSA-N 461.500 0.629 5 10 JCBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871617479 FYUKAIJGYALYJD-UHFFFAOYSA-N 458.523 0.783 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccc(N3CCN(C)CC3)nn2)CC1 1890715566 BLFYBQQPDYRHOP-UHFFFAOYSA-N 477.547 0.656 5 10 JCBE COCCN(CCOC)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870079672 UTSKLBMSYXJLKB-INIZCTEOSA-N 496.546 0.628 5 10 JCBE Cc1nnc(NC(=O)Cn2cnc3c(nnn3Cc3cc([N+](=O)[O-])cc4c3OCOC4)c2=O)s1 1870103611 MCDTUKPVLIURHM-UHFFFAOYSA-N 485.442 0.610 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871621100 HRMNUKFPEQKOBD-HNNXBMFYSA-N 480.533 0.839 5 10 JCBE COCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 47163812 LDKPKGUUIBAWBI-UHFFFAOYSA-N 477.499 0.743 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC[C@H](C)O)=C(N)O2 1864895951 WSMPWMGJJPVLJT-MGPLVRAMSA-N 459.459 0.854 5 10 JCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCC(N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 1867283276 QGBJGJNIUWWHKC-VMWRSERWSA-N 463.535 0.825 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1867772511 ZRCWLZJYUFQEAF-HNNXBMFYSA-N 470.891 0.897 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNS(=O)(=O)c1cccc2nsnc12 1873692708 TWXHLPHPVHKUOJ-UHFFFAOYSA-N 490.479 0.290 5 10 JCBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861130754 YXNGBVZILWRQPK-CRVDFBCUSA-N 489.510 0.322 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)c3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869947218 VWPLXROAGFSAEM-AWEZNQCLSA-N 477.503 0.467 5 10 JCBE O=C(NCCN1C(=O)CSC1=O)c1nonc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1872715574 IVTOQIINONIZDA-UHFFFAOYSA-N 465.400 0.849 5 10 JCBE CN(CC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1)S(=O)(=O)C1CC1 1892137984 OWDQSXYSJRNYPK-UHFFFAOYSA-N 464.500 0.853 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848438256 MHAQOFAFDHVKQE-HGJKNBTDSA-N 483.382 0.479 5 10 JCBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871644898 BMTUFSCIGSZLLM-UHFFFAOYSA-N 486.514 0.116 5 10 JCBE O=C1CCCN1CCCN1C[C@@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CC1=O 1873016113 ICXFTBDGHCDPTD-ULQDDVLXSA-N 471.514 0.563 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc2ccccc2[N+](=O)[O-])CC1 2330670799 KINCSVYTZGQQMV-MRXNPFEDSA-N 461.475 0.705 5 10 JCBE C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 65356745 NRPFSJAQJJYJLT-HEHGZKQESA-N 477.474 0.399 5 10 JCBE COCCN(C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 242451654 BONKHTXHKGUZSR-CQSZACIVSA-N 453.473 0.633 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCC(=O)N1CCc2ccccc2C1 1867782462 UYZSECZMKLJXDX-UHFFFAOYSA-N 481.509 0.862 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576012 ARZQBQPKNNUYSS-UHFFFAOYSA-N 450.887 0.517 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@H](C)C3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706960 PMCKLTYELWGEOG-IYBDPMFKSA-N 488.549 0.734 5 10 JCBE Cn1cc(C(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc([N+](=O)[O-])c1=O 1890605437 WZDKVCSAYZFMDM-UHFFFAOYSA-N 452.353 0.712 5 10 JCBE O=C([C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCOCC1 1892269851 PMLHPTNBGDZFRK-OALUTQOASA-N 496.542 0.224 5 10 JCBE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 2053515662 DZUSNOPVGIMEFW-RBBKRZOGSA-N 491.522 0.840 5 10 JCBE Cc1cc(O)nc(N2CCN(C(=O)Cc3ccc(NS(C)(=O)=O)c([N+](=O)[O-])c3)CC2)n1 1859279021 NMZHDVOMVZBRBG-UHFFFAOYSA-N 450.477 0.662 5 10 JCBE CCNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859567791 CJMDKROAXSDCMB-UHFFFAOYSA-N 460.468 0.848 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1865718704 NJNBBFOCHHQABA-INIZCTEOSA-N 497.439 0.848 5 10 JCBE COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868131315 IMDIKGSMYGXPSM-UHFFFAOYSA-N 491.526 0.908 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccccn3)[nH]2)c1 1871521334 GIDYHWJFQNBNJF-UHFFFAOYSA-N 451.491 0.489 5 10 JCBE O=C1CCCN1CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574458 KQSSLBKBKVRKDP-UHFFFAOYSA-N 494.940 0.236 5 10 JCBE O=C(COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1)Nc1cccc([N+](=O)[O-])c1 1872721243 GMMGMAAZMBKDSE-UHFFFAOYSA-N 464.500 0.911 5 10 JCBE Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 585159455 DZYQVOIFHRXXIJ-UHFFFAOYSA-N 461.548 0.956 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC 1867807192 UDEYHMUIMFDIFU-INIZCTEOSA-N 489.485 0.524 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867830905 QEVVARWXOSQPSL-UHFFFAOYSA-N 465.444 0.629 5 10 JCBE CN(C[C@@H](O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868046644 DSZJOJQHNDNLDD-NSHDSACASA-N 482.496 0.050 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870060383 QIEXKTZJBJIRIO-ZDUSSCGKSA-N 480.503 0.768 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CC1 2330595403 YRWFYXAWEIGRNW-KRWDZBQOSA-N 461.475 0.705 5 10 JCBE C/C=C1\C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@H]1OC(C)=O)[C@@]23O 256325553 UJFFAMMZKASLBJ-GLLWVRMMSA-N 466.507 0.770 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867359986 GSVPXDVWPBJGTD-LEWJYISDSA-N 456.499 0.745 5 10 JCBE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867832442 CUCUSGFPVOKPAQ-GOSISDBHSA-N 453.408 0.197 5 10 JCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867833399 LFYISIQYPPVKIV-QGZVFWFLSA-N 480.455 0.704 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1867883582 OALRYMANSSPTQQ-INIZCTEOSA-N 484.918 0.735 5 10 JCBE CN(C[C@H](O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccs1 1868050897 WSUQPDWLVFELNA-GFCCVEGCSA-N 482.496 0.050 5 10 JCBE CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872630315 JXMUEFLWSWBNNI-UHFFFAOYSA-N 470.529 0.658 5 10 JCBE CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 35870181 HYDOQUGESQZSCY-TZIWHRDSSA-N 458.563 0.558 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2[N+](=O)[O-])CC1 590768011 RNCNPVLOXRSNIY-LJQANCHMSA-N 473.530 0.974 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)[C@H](C)C1 1359385233 UOFJSPDGUPILPW-CQSZACIVSA-N 465.536 0.802 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848809 OFSBJQQGFOFZFS-ZDUSSCGKSA-N 499.502 0.458 5 10 JCBE COCCN(CCOC)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706662 LXGNQVFAPAPXIX-ZDUSSCGKSA-N 451.484 0.268 5 10 JCBE COc1ccc(N=c2[nH]c(N(C)C)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871708645 VJJMDHCJDFKOQR-UHFFFAOYSA-N 488.530 0.744 5 10 JCBE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867357382 HBCQFXYNWUMSMU-SWLSCSKDSA-N 470.529 0.572 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 1872628891 SDORXHSBQACNJZ-UHFFFAOYSA-N 462.419 0.270 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccncc1)=C(N)O2 1865715634 GDDHINIPNUIYIF-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE O=C(COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 1872639724 HIFKALUZOIVAFW-UHFFFAOYSA-N 460.447 0.107 5 10 JCBE NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1861027809 GSAXEQXIGTYPIA-OAHLLOKOSA-N 455.899 0.451 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706959 PMCKLTYELWGEOG-HZPDHXFCSA-N 488.549 0.734 5 10 JCBE O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccc3c(c1)OCCO3)N[C@@]2(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 247351794 CLHDCMDRHSOAEG-WYADAEROSA-N 453.407 0.965 5 10 JCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865721292 ORERIFREMREDPG-HNNXBMFYSA-N 472.502 0.145 5 10 JCBE C[C@H](O)Cn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870589806 IKHZOFHNGNDAHN-HNNXBMFYSA-N 479.486 0.369 5 10 JCBE COCCN=c1ccc2nnc(CCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2[nH]1 1873837114 ADRJZBDVJLFAPY-UHFFFAOYSA-N 454.491 0.794 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2ccnc([N+](=O)[O-])c2)c1I 2080348407 KJGOHLWQCVBTTD-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE Cc1c(C(=O)NCC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869773339 AWBOVJQXNAWRAB-UHFFFAOYSA-N 476.490 0.698 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3CCOCC3)[nH]2)ccc1Cl 1871575811 QXQIOHFLPJRXFQ-UHFFFAOYSA-N 492.968 0.973 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871708679 WUISMPVVJDLMMV-UHFFFAOYSA-N 496.532 0.743 5 10 JCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865723179 KKUMQKWCVFLFNN-OAHLLOKOSA-N 472.502 0.145 5 10 JCBE CCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865730368 QANQATLFTNUSMI-CYBMUJFWSA-N 479.877 0.181 5 10 JCBE CCN(CC)CCNC(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872645219 YMLSONILYVYSSE-UHFFFAOYSA-N 489.533 0.706 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)N2CCOCC2)C1 1892269852 PMLHPTNBGDZFRK-RBUKOAKNSA-N 496.542 0.224 5 10 JCBE CC(=O)NCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858646596 AAZKQAJEDBJOPA-UHFFFAOYSA-N 491.526 0.968 5 10 JCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 1858997199 PAXWYJUCKVUALC-BJMVGYQFSA-N 486.470 0.412 5 10 JCBE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867871715 UDKFMHRFUZVHGX-WBVHZDCISA-N 478.527 0.819 5 10 JCBE CN1CCN([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867799348 BQBAHSVOMJUXDB-NFBKMPQASA-N 498.584 0.856 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858979253 RMAGCVYSGHMFSO-UHFFFAOYSA-N 491.526 1.000 5 10 JCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O 1867361236 SAXPFCZXWCDDMU-ROUUACIJSA-N 472.454 0.831 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC 1867806205 HPJXDAGZCTWBHT-ZBFHGGJFSA-N 468.507 0.056 5 10 JCBE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867847579 FJFWIZZYUZQEDK-IBGZPJMESA-N 467.435 0.505 5 10 JCBE Cc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867871629 SBVUGRLVRNOPCR-ZFWWWQNUSA-N 484.556 0.881 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870697001 SWPBCQIJNWFLTG-ZDUSSCGKSA-N 462.459 0.340 5 10 JCBE COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1-n1nnnc1-n1cccn1 1873754798 SRIYGSHSYQNKNE-UHFFFAOYSA-N 489.408 1.000 5 10 JCBE O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCC[C@H](O)CN1CCCCC1 1867781606 DXZBGXIUHJOVML-SFHVURJKSA-N 463.535 0.514 5 10 JCBE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843726 BGLBDJLPQRAKPL-ZDUSSCGKSA-N 467.435 0.505 5 10 JCBE Cc1ccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870015283 FRGNWHMCPLPTFO-INIZCTEOSA-N 493.546 0.221 5 10 JCBE O=C(c1ccc(N2CCN(C(=O)C(F)(F)Cl)CC2)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 1860901918 NCGTZDFXWLTBBM-UHFFFAOYSA-N 475.880 0.825 5 10 JCBE CN(C)CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 1873016289 MNABAWMKUOCWPH-HNNXBMFYSA-N 480.953 0.423 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)C=Cc3ccccc3[N+](=O)[O-])nc2O)CC1 2328059709 IUKMNJRDTAUYMX-UHFFFAOYSA-N 469.458 0.761 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1129286981 DFFJCIGMTLUQBB-MRXNPFEDSA-N 453.521 0.369 5 10 JCBE Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867772406 XTCXUJZIADZSAG-OAHLLOKOSA-N 459.846 0.902 5 10 JCBE CCCc1nn(C)c(C(=O)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2O)c1[N+](=O)[O-] 96031899 CKZJMUFKXKHYNW-UHFFFAOYSA-N 494.530 0.493 5 10 JCBE in-vitro CN(CCO)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)n1 2331851737 HLOFFSGCFRXBBR-OAHLLOKOSA-N 450.477 0.626 5 10 JCBE O=C(OCn1nnc2ccccc2c1=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 14359374 UTBMDKUBVJRFMN-LRDDRELGSA-N 475.439 0.025 5 10 JCBE CCOC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2O)CC1 1859134729 RSFZKTUIMYLCQC-UHFFFAOYSA-N 473.446 0.971 5 10 JCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865737937 RKVJRKFBTHGNLW-INIZCTEOSA-N 484.513 0.241 5 10 JCBE COc1cc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)c([N+](=O)[O-])cc1OC 1869756552 URYSQBDKTGULIT-ZDUSSCGKSA-N 461.431 0.690 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870697004 TXTGQMZZCHMJEP-UHFFFAOYSA-N 450.448 0.199 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCN3CCOCC3)[nH]2)ccc1Cl 1871576458 UBRIKUJISIJBKJ-UHFFFAOYSA-N 464.914 0.336 5 10 JCBE CCc1nnc(CN2CCN(C(=O)CSc3nnc(-c4ccc([N+](=O)[O-])cc4)n3N)CC2)o1 59791038 BYTUYWPVZHIAEH-UHFFFAOYSA-N 473.519 0.949 5 10 JCBE COc1cc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)ccc1O 253381236 DCTUOFRLHVQALB-BYWWRHNPSA-N 471.422 0.963 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1872945810 CFWMVAZJRLRJEA-QAPCUYQASA-N 478.527 0.808 5 10 JCBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 2330669822 YXNGBVZILWRQPK-QGZVFWFLSA-N 489.510 0.322 5 10 JCBE CN(C)CCN(C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 243752458 PXPUDIXJXNYFER-HNNXBMFYSA-N 466.516 0.548 5 10 JCBE CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1561229809 ISLQXGWUCZDFMR-UHFFFAOYSA-N 452.411 0.973 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734656 NOMAKUXEGMBUAD-ZBFHGGJFSA-N 485.497 0.450 5 10 JCBE CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869439970 WNHMESNPKOLCEW-UHFFFAOYSA-N 461.519 0.496 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCN1CCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792957 NOGGWXFKQRDORM-LJQANCHMSA-N 483.525 0.701 5 10 JCBE Cn1nc(N(CCO)CCO)nc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869957514 VWBLXOFSJPNINR-UHFFFAOYSA-N 489.489 0.309 5 10 JCBE COCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869974732 ARZXJTSGJBDWBZ-INIZCTEOSA-N 479.519 0.457 5 10 JCBE Cn1c(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cnc1[N+](=O)[O-] 1891729465 QDZHGPNZCZTXMR-UHFFFAOYSA-N 452.410 0.954 5 10 JCBE CNS(=O)(=O)c1ccc(CCNC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1859566436 KSTMZZVONKFIPU-UHFFFAOYSA-N 460.468 0.848 5 10 JCBE NC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1861029513 YPTVNNONELBHJD-CQSZACIVSA-N 483.890 0.186 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870052576 ZLXXLJCWFDACTJ-CYBMUJFWSA-N 497.490 0.833 5 10 JCBE COCCN(CCOC)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520425 NNYWPYONTVYJKO-UHFFFAOYSA-N 457.495 0.844 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CC(O)C1)=C(N)O2 1865584799 GJRQWIBKFKFHBT-MRXNPFEDSA-N 457.443 0.560 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 1891300066 SBNRLYSGOYTXLR-UHFFFAOYSA-N 479.519 0.704 5 10 JCBE O=C(NC1CC1)[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1892170989 HNHUHMURLSHIPL-ZWKOTPCHSA-N 466.516 0.644 5 10 JCBE CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 1359401177 JWOHLOQMZHKJAD-SFHVURJKSA-N 470.534 0.938 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC[C@@H](C)O)=C(N)O2 1864895950 WSMPWMGJJPVLJT-HWPZZCPQSA-N 459.459 0.854 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1870004276 UUDBQPBUWBTISM-JTQLQIEISA-N 456.868 0.633 5 10 JCBE CN(CCO)c1nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870030511 AOTWRLBXIZJWAK-NSHDSACASA-N 458.884 0.880 5 10 JCBE CCN(CC)CCNC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870103655 NSOJBYMJSDLZPA-UHFFFAOYSA-N 486.489 0.269 5 10 JCBE COCCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CC(O)C1 1870697315 ZIQZOKXXPMEUMV-UHFFFAOYSA-N 476.486 0.996 5 10 JCBE NS(=O)(=O)c1ccc(CNC(=O)Cc2nonc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1872652669 ZZGDKGCFFVBSDM-UHFFFAOYSA-N 490.454 0.502 5 10 JCBE O=C(c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 1892419722 TVWCJGAHRNUKFA-UHFFFAOYSA-N 475.527 0.903 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCc2nc3ccccc3c(=O)n2C)c([N+](=O)[O-])cc1OC 1867806409 JAJAFGRBVNYSMY-OAHLLOKOSA-N 485.453 0.266 5 10 JCBE CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1 2313738945 ALKFWTXSHBUHHI-HKUYNNGSSA-N 474.470 0.511 5 10 JCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)cc1[N+](=O)[O-] 1858998199 PCXWNEMQPDPWGF-UHFFFAOYSA-N 489.470 0.626 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1891266880 VTWOAIWJPVAKHZ-HOTGVXAUSA-N 462.418 0.834 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1869947933 CIIBDYZBWOAQBS-UHFFFAOYSA-N 470.446 0.017 5 10 JCBE CN(C[C@@H]1CCCO1)C(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870103580 KUCHRDFUMBENNB-INIZCTEOSA-N 485.457 0.448 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCCO)[nH]2)c1 1871519540 VBEVKQJQIIYQEE-UHFFFAOYSA-N 460.539 0.446 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1873788561 FXOREDCDEYFCHD-RYUDHWBXSA-N 467.394 0.907 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1861338595 UNPHGCOSYVYTOJ-GFCCVEGCSA-N 450.473 0.728 5 10 JCBE CN(C)c1nc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc(N2CCCC2)n1 1891021416 RNVYDRUKGYYZJR-UHFFFAOYSA-N 454.447 0.358 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 1861343820 BGWOYSRYQLCADD-KSSFIOAISA-N 464.475 0.916 5 10 JCBE NS(=O)(=O)c1ccc(CCNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCO)C2=O)cc1 1863593540 FJSPYNHFUKZXCE-UHFFFAOYSA-N 460.468 0.147 5 10 JCBE Cc1c(C(=O)N[C@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869774976 NWLUBCZEZFRVHW-GFCCVEGCSA-N 460.451 0.715 5 10 JCBE CC(=O)N[C@@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 110339657 HANQNSOXWBEEGZ-UHZRXMQZSA-N 468.415 0.630 5 10 JCBE C[C@@H](O)CN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863595550 BKQQIRRHFXSAJA-CYBMUJFWSA-N 474.495 0.535 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCc1ccccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787935 BKKNSTXESWVKLU-QGZVFWFLSA-N 458.471 0.587 5 10 JCBE CN(C[C@H](O)CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1ccccc1 1868045314 BDUTWTZWMXIFPU-CQSZACIVSA-N 490.494 0.379 5 10 JCBE O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 1860845906 MCIQHJHOUSESBD-FNORWQNLSA-N 471.474 0.518 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)Cc3ccccc3)nc(=NCCOCCO)[nH]2)c1 1871521138 SHDRYSXUMMAGOO-UHFFFAOYSA-N 469.502 0.787 5 10 JCBE CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 1359401444 RSRLIGMPZUTMEO-IBGZPJMESA-N 484.561 0.980 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccncc1)=C(N)O2 1865715635 GDDHINIPNUIYIF-OAHLLOKOSA-N 464.438 0.398 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865718041 GIKXJYHYEQKZDD-OAHLLOKOSA-N 473.486 0.618 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCN(C)CC3)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869960799 GMPLOJJRAKKYGN-HNNXBMFYSA-N 463.520 0.280 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621111 IAJSTTJZIYAIOF-UHFFFAOYSA-N 489.533 0.694 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1867360216 ITZGXVVOBPPOMP-KRWDZBQOSA-N 450.473 0.082 5 10 JCBE O=C1CCCN1CCCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518254 ANXOYVCFOULILQ-UHFFFAOYSA-N 456.507 0.753 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871706070 XZOQVEOVAHOMOW-UHFFFAOYSA-N 476.494 0.449 5 10 JCBE O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20729465 DKCIQLSJQWAGCR-UHFFFAOYSA-N 467.548 0.532 5 10 JCBE O=C(N=c1nnc(CCC(=O)N2CCC3(CC2)OCCO3)c(O)[nH]1)c1ccc([N+](=O)[O-])cc1 1859133101 CCOPYGFWTUYUQT-UHFFFAOYSA-N 458.431 0.458 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COc2ccccc2O1 1861127653 VNFOWQJEPIMLRN-RRUDCUFVSA-N 454.439 0.924 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@H](O)CN1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867785491 ULVGXWRSSBWNNC-RBUKOAKNSA-N 477.562 0.639 5 10 JCBE NC(=O)C1CCN(c2nc(=NCCCn3ccnc3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518966 CGSAIPRBLMSTKD-UHFFFAOYSA-N 466.506 0.768 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867795615 MTDWFWZXAHLIMC-SJORKVTESA-N 471.470 0.893 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc2O)C1 2328754392 CUCVCUBVOXFNNN-KRWDZBQOSA-N 455.475 0.933 5 10 JCBE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865731894 AVBHFPLKSLBOCV-ABAIWWIYSA-N 471.470 0.793 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865734821 REPUWFDYWCGWML-INIZCTEOSA-N 484.513 0.239 5 10 JCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCc3ccccc3)[nH]2)cc1[N+](=O)[O-] 1871707683 QKNBIILGDQPSFZ-UHFFFAOYSA-N 469.502 0.821 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)cc1 1858424158 OQSJQELNILTHIC-HNNXBMFYSA-N 482.540 0.612 5 10 JCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCO)cc1[N+](=O)[O-] 1871034784 FDCREHSOIYIAGJ-UHFFFAOYSA-N 462.459 0.607 5 10 JCBE CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 1690867664 CDBPSPHWYWYCSE-FQEVSTJZSA-N 484.561 0.980 5 10 JCBE CC(C)NC(=O)COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870510958 HOLGOCQHCKNFMR-UHFFFAOYSA-N 473.530 0.974 5 10 JCBE CCN1CCN(c2nc(=NCCc3cnc[nH]3)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871706414 BPEVUIJYBROHCJ-UHFFFAOYSA-N 468.522 0.895 5 10 JCBE COC(=O)[C@H]1CCCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)C1 1860906443 YNTVAEDZUDACGZ-ZDUSSCGKSA-N 458.431 0.504 5 10 JCBE CN(C)CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863592021 PKIAQXSFFQCZES-UHFFFAOYSA-N 473.511 0.674 5 10 JCBE CN1CCN([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867799349 BQBAHSVOMJUXDB-NZQKXSOJSA-N 498.584 0.856 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCCc1ncc2ccccn12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834089 QKXBSFTYYOTMGO-KRWDZBQOSA-N 456.415 0.990 5 10 JCBE CN(CCO)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(-c2ccccc2)n1 1870026104 ZGSGUNIMEWKARX-UHFFFAOYSA-N 465.426 0.839 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCc1cn2ccsc2n1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791116 BXHCFIYFDQQYEZ-INIZCTEOSA-N 488.526 0.590 5 10 JCBE CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872632389 NLYFAIDOZKNCMJ-GOSISDBHSA-N 484.556 0.904 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1869959027 KPJOUFKOLBDKTH-GFCCVEGCSA-N 488.910 0.243 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1873695632 GLFMQQNGRVLTGL-CYBMUJFWSA-N 497.439 0.615 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)C2CC2)CC1 1892418785 ZMKSJFGFCOLOPF-SFHVURJKSA-N 486.572 0.774 5 10 JCBE O=C(N=c1nc[nH][nH]1)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858997045 ILPQANHNLJFPHU-UHFFFAOYSA-N 459.444 0.618 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCN(CC)CC)[nH]2)cc1[N+](=O)[O-] 1871621090 HGMWEWCRYMJVHQ-UHFFFAOYSA-N 462.555 0.474 5 10 JCBE CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605657 BNQCXMFLNUELHM-QGZVFWFLSA-N 470.529 0.862 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2cccnc2[N+](=O)[O-])c1I 2080345103 YFWLNLUXSGKRRE-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858976094 JSODWUNPXOJCFM-UHFFFAOYSA-N 478.483 0.959 5 10 JCBE Cc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867788619 IRAPAVWLXUEKTN-SFHVURJKSA-N 486.481 0.552 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 616584627 AGWYHLDAEVAMEC-VDRZXAFZSA-N 496.425 0.408 5 10 JCBE O=C(NCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1858658122 WERJNEJMXRXBBH-UHFFFAOYSA-N 492.470 0.737 5 10 JCBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCN2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793622 KRPNBCHEZYNKLI-QAPCUYQASA-N 465.463 0.225 5 10 JCBE CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219288529 KLPLXHJLVKXJNT-UHFFFAOYSA-N 463.447 0.338 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CC)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621776 WEHJGHSWTUOXOW-UHFFFAOYSA-N 460.539 0.492 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CSC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] 1859074383 DHRAQCORPBBYMN-HNNXBMFYSA-N 459.550 0.354 5 10 JCBE CCOC(=O)N1CCN(C(=O)Cc2nonc2OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 1872628629 NFYVKTCPVXLZEB-UHFFFAOYSA-N 492.445 0.847 5 10 JCBE CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1873837072 XZHIRQHELPKCAG-UHFFFAOYSA-N 453.521 0.127 5 10 JCBE O=C1CO[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1 1892110760 DIHFGPDRFNZPBM-RBUKOAKNSA-N 480.543 0.892 5 10 JCBE Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858336712 XIRWYDLLQVVNOZ-LBPRGKRZSA-N 482.496 0.781 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867787879 ANPXRHFSJKSXJN-PMACEKPBSA-N 486.525 0.805 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645742 OWQOHVWPYGKGFZ-UHFFFAOYSA-N 457.539 0.741 5 10 JCBE O=C(CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCOCC3)[C@H]2C1)N1CCCC1 35870836 HBXGKLCOUCLBNI-PZJWPPBQSA-N 457.531 0.739 5 10 JCBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867358668 JLRVWEABMFYAID-MJGOQNOKSA-N 478.527 0.901 5 10 JCBE CN(C)CCN(C(=O)NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 217307008 AUFBFUJIGTYLGR-OAHLLOKOSA-N 481.531 0.341 5 10 JCBE O=C(O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858647188 YIIIUPYIFWHKST-UHFFFAOYSA-N 450.429 0.526 5 10 JCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C2CC2)CC1 1869755213 WAFDWNHZYGBFCT-HNNXBMFYSA-N 459.503 0.631 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870060569 UQIREUNXDDCCHR-LBPRGKRZSA-N 450.477 0.759 5 10 JCBE O=c1cc(CN2CCN(CCO)CC2)n(CCO)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870589769 HAVSMUJHCGKCTE-UHFFFAOYSA-N 490.513 0.304 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706958 PMCKLTYELWGEOG-HOTGVXAUSA-N 488.549 0.734 5 10 JCBE COc1ccc(C(=O)NCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 586404653 MWSJYGFASLBDII-UHFFFAOYSA-N 467.529 0.645 5 10 JCBE COc1cc(C(=O)NCC(=O)NCCS(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 1867794096 FMVPRUMXLRFSSC-UHFFFAOYSA-N 466.472 0.900 5 10 JCBE Cc1c(C(=O)Nc2nc(N3CC(O)C3)nn2[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870004263 UIPVISSWDOOPHT-SNVBAGLBSA-N 481.447 0.196 5 10 JCBE Cc1nccc(-n2nc(S(C)(=O)=O)c(C(N)=O)c2I)c1[N+](=O)[O-] 2080366927 BAELCUCNIJLNBH-UHFFFAOYSA-N 451.202 0.591 5 10 JCBE O=C(N[C@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1867360232 JJUSLHDPDIADCF-MOPGFXCFSA-N 486.481 0.604 5 10 JCBE CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869441330 DJQOMOKFCTUCFY-FQEVSTJZSA-N 475.546 0.886 5 10 JCBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccc(O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871644333 XEKBBVVBOZIJHF-UHFFFAOYSA-N 455.475 0.784 5 10 JCBE COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 586327946 JITGVPFSTQAQSV-PMERELPUSA-N 470.485 0.577 5 10 JCBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858334888 LGUAWWGSJYVYJW-NSHDSACASA-N 467.485 0.918 5 10 JCBE CC(=O)N(CCN)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865588293 ZPRHRIOVJXIFNA-QGZVFWFLSA-N 472.458 0.436 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@H]2c1ccc(O)c([N+](=O)[O-])c1 1865623417 BMHUMZXQFWAHDH-NSHDSACASA-N 455.349 0.950 5 10 JCBE Cc1c(C(=O)Nc2nc(N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869952745 MYENJBPRKPCGKJ-LBPRGKRZSA-N 495.474 0.851 5 10 JCBE Cc1noc(CN2CCN(c3ccc(S(=O)(=O)NCCCN(C)C)cc3[N+](=O)[O-])CC2)n1 501249401 FMDQMWLCLXVULG-UHFFFAOYSA-N 467.552 0.838 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 1867783731 KIXPUCZKDBQTKV-LJQANCHMSA-N 490.605 0.818 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)cc1[N+](=O)[O-] 1867800326 SYPOAAMXVBJPLE-QFBILLFUSA-N 487.513 0.899 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccncc3)[nH]2)cc1[N+](=O)[O-] 1871619158 ANATVVZBKXRZON-UHFFFAOYSA-N 454.491 0.728 5 10 JCBE C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1871927856 BFQLDQGGFZLXLI-LLVKDONJSA-N 450.429 0.827 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)cc2[N+](=O)[O-])CC1 106133404 HEPQALFULMBLFJ-UHFFFAOYSA-N 493.528 0.972 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865720873 GVTZIBWCKJTCIC-OAHLLOKOSA-N 481.469 0.090 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCc2cn3c(n2)C[C@H](C)CC3)c([N+](=O)[O-])cc1OC 1867806248 IHLZIOFZXRVSQL-CZUORRHYSA-N 475.502 0.840 5 10 JCBE CNC(=O)COc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870568875 JMYOFNIPEVELKE-UHFFFAOYSA-N 459.503 0.586 5 10 JCBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871646008 SFHZPBYUGYGZAP-UHFFFAOYSA-N 488.530 0.364 5 10 JCBE CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872630336 KIKYSFOHKHHMSW-KRWDZBQOSA-N 470.529 0.658 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1ccc([N+](=O)[O-])cc1 1865643595 RCMVTLBQTMXBGV-SFHVURJKSA-N 456.503 0.951 5 10 JCBE CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(C)=O 2037814229 AGWYHLDAEVAMEC-FIRLOTFOSA-N 496.425 0.408 5 10 JCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 255986813 LZJMHONERNXSNV-MMQJMDILSA-N 490.517 0.058 5 10 JCBE Cn1nc(N(CCO)Cc2ccccc2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869978786 JNGKILYKUPFLES-UHFFFAOYSA-N 479.453 0.957 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccncc3)[nH]2)ccc1Cl 1871576003 ALDAGVRWXBKQMP-UHFFFAOYSA-N 460.882 0.819 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871617808 PPSVNGBUURKWGO-UHFFFAOYSA-N 456.507 0.535 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 1891979298 FXBACLFWWGFPNE-CQSZACIVSA-N 466.397 0.676 5 10 JCBE CCOc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1[N+](=O)[O-] 729208450 KDGXNMRLDYZIMY-UHFFFAOYSA-N 459.459 0.702 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc2O)C1 1860872558 QLSOEZCLFRQAIQ-OAHLLOKOSA-N 459.463 0.542 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822428 XAMRXHNWDJHRIA-QGZVFWFLSA-N 488.457 0.723 5 10 JCBE C[C@H]1CN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)C[C@@H](C)O1 1871518059 PAFADCVKEMGQDD-IYBDPMFKSA-N 458.523 0.725 5 10 JCBE COc1nc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N(C)C)n1 1891587357 QPZNWGHYKIHDCY-HNNXBMFYSA-N 479.519 0.714 5 10 JCBE COCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574497 MLEZKGXOZODXTH-UHFFFAOYSA-N 450.887 0.781 5 10 JCBE COCCN(CCOC)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645398 OANLXXBPOJYVKT-UHFFFAOYSA-N 462.511 0.323 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1 1872984323 WXTAXJARIJKUJC-IAQYHMDHSA-N 452.851 0.881 5 10 JCBE O=C(NC[C@@H](O)Cn1ccccc1=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892103158 VGHRIGPXEBUOBW-SJLPKXTDSA-N 464.500 0.477 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 1286878307 YJYXHIBFLNNKSF-UHFFFAOYSA-N 451.509 0.413 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCCC1)=C(N)O2 1865730514 RCHHNTUFRAILFA-AWEZNQCLSA-N 457.443 0.405 5 10 JCBE CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867800748 ATOFYOVYJOXTHZ-BLLLJJGKSA-N 474.470 0.909 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1OC 1867806202 HPJXDAGZCTWBHT-GDBMZVCRSA-N 468.507 0.056 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1870003644 OSXCNEOOFPBFSR-SNVBAGLBSA-N 456.868 0.633 5 10 JCBE NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)cc1 1863234194 AMVRJHMFLYDXPO-UHFFFAOYSA-N 473.467 0.570 5 10 JCBE CCCCN(CCO)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707702 AKQQOPJLMQAGKQ-UHFFFAOYSA-N 462.511 0.523 5 10 JCBE COCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863592446 ZWGVDPYNTIGBRF-UHFFFAOYSA-N 460.468 0.758 5 10 JCBE C[C@H](NC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867834712 WFOLTMNFNVGLLX-ORAYPTAESA-N 485.453 0.683 5 10 JCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1858975819 DEJRFNHIULYWTH-UHFFFAOYSA-N 490.542 0.718 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821414 MDKSAETVISCWIO-INIZCTEOSA-N 459.415 0.965 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O 504249677 NAEXCCUZPJWPMZ-OWQNAKTJSA-O 467.926 0.810 5 10 JCBE in-vitro CC(=O)NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(C[C@H](C)O)C2=O)cc1 1863230743 NGHHZHDKYXJIJT-LBPRGKRZSA-N 488.478 0.992 5 10 JCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865721498 UDDQTRPYDZCZBO-INIZCTEOSA-N 486.529 0.535 5 10 JCBE CN(C)CCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CC(O)C1 1870398808 ZFLUUHPEYQRVKE-UHFFFAOYSA-N 459.503 0.902 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCCN(C)C)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870696451 HUJFKXWJWAUQAN-UHFFFAOYSA-N 489.529 0.911 5 10 JCBE CN(C[C@@H]1CCCO1)C(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872644441 HUCBOPSDECFZMN-SFHVURJKSA-N 488.501 0.885 5 10 JCBE COCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865719292 XFTJLBPYZCPIEW-CYBMUJFWSA-N 479.877 0.493 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC 1867806058 HENRGMLAHXJMKI-DOTOQJQBSA-N 461.471 0.985 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCN(CC)CC)[nH]2)cc1[N+](=O)[O-] 1871620853 DEFSDEASYKWPBR-UHFFFAOYSA-N 476.582 0.864 5 10 JCBE O=C1[C@H]2C=CN(c3ccc([N+](=O)[O-])cn3)[C@H]1[C@H]1C(=O)C[C@H](O)[C@H]2N1c1ccc([N+](=O)[O-])cn1 1614307989 SOGWUELHZVPHEK-KMNYTQEUSA-N 452.383 0.772 5 10 JCBE CCc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1867806676 LLMAFXQPVDYJJI-INIZCTEOSA-N 475.454 0.987 5 10 JCBE COCCN(CCOC)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576414 RLFGLFNEBVDMOQ-GFCCVEGCSA-N 455.903 0.913 5 10 JCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 225068198 LZJMHONERNXSNV-KYZVSKTDSA-N 490.517 0.058 5 10 JCBE O=C(CCn1c2ccccc2c2nc3ccccc3nc21)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O 243229981 KMIXRIRTDLLPLJ-YNIWLMFPSA-N 452.467 0.044 5 10 JCBE CCN1CCN[C@@H](C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)C1 1860899480 WXPQZTOCBFRSFS-MRXNPFEDSA-N 455.537 0.268 5 10 JCBE CS(=O)(=O)NCCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861880790 QNFWIVZJQRONCN-GOSISDBHSA-N 467.548 0.564 5 10 JCBE COCCN(CCOC)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706661 LXGNQVFAPAPXIX-CYBMUJFWSA-N 451.484 0.268 5 10 JCBE CC(=O)N1CCN(C(=O)CCNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1144512657 YJKFRMZSDPZBSF-UHFFFAOYSA-N 453.402 0.230 5 10 JCBE CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cccc([N+](=O)[O-])c1 1565536770 ILEVPXNXDNEOOE-HVTWWXFQSA-N 468.415 0.630 5 10 JCBE O=C1Cc2cc(S(=O)(=O)N[C@H]3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc2N1 1858332484 AXVLTMLHKFTPFA-ZDUSSCGKSA-N 466.497 0.831 5 10 JCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 1865733148 UXSUUMNTWPNSAP-LALPHHSUSA-N 471.470 0.323 5 10 JCBE CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606264 SRSJELMWMUCFBT-AWEZNQCLSA-N 456.502 0.616 5 10 JCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(CCNC(C)=O)C3)CC2)cc1[N+](=O)[O-] 1872941593 OFLCJKLHNMYKFN-INIZCTEOSA-N 475.502 0.765 5 10 JCBE Cn1cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1=O 1890816034 XKRSUGUIVZVARN-UHFFFAOYSA-N 460.401 0.505 5 10 JCBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858333477 HXDBOFALWMOWSW-NSHDSACASA-N 467.485 0.918 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCNC(C)=O)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891554 NRTMVJHYMQHGDN-GOSISDBHSA-N 486.485 0.838 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)cc1[N+](=O)[O-] 1867800327 SYPOAAMXVBJPLE-VQIMIIECSA-N 487.513 0.899 5 10 JCBE Cc1c(C(=O)NCC(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869774376 JOOPONVLXLTPMU-UHFFFAOYSA-N 477.455 0.774 5 10 JCBE CC(=O)N1CCN(c2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n(C(C)(C)C)n2)CC1 1869942321 KOGNKHFPIGYKGP-UHFFFAOYSA-N 498.500 0.845 5 10 JCBE CCCCN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1869992127 WJJYOZFCBJUMGM-MRXNPFEDSA-N 466.520 0.819 5 10 JCBE COCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518331 FJNZSNZDPPGBSH-UHFFFAOYSA-N 452.479 0.542 5 10 JCBE CC(=O)NCCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872625855 ZRAQMGRUZOKSCT-MRXNPFEDSA-N 452.464 0.876 5 10 JCBE O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20994657 MFHLVFIEOANWLK-UHFFFAOYSA-N 464.504 0.161 5 10 JCBE O=C(NC1CC1)[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1892170887 HNHUHMURLSHIPL-QZTJIDSGSA-N 466.516 0.644 5 10 JCBE CCn1cccc(C(=O)N=c2nnc(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(O)[nH]2)c1=O 1860852677 LEFCJOPXAIHOOQ-UHFFFAOYSA-N 496.484 0.502 5 10 JCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865737842 QOLOVIXVMUQXFH-HNNXBMFYSA-N 489.485 0.013 5 10 JCBE CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868598734 OWLIEROKMFTEOX-QAPCUYQASA-N 452.533 0.963 5 10 JCBE CCOCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574750 YDGFEZLYWWHGFG-UHFFFAOYSA-N 455.903 0.650 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 1890565386 YQELIBYQDRRORZ-UHFFFAOYSA-N 465.470 0.930 5 10 JCBE O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCOCC3)C[C@H]12 35870424 BRFTUGJXUXEXSH-FYYLOGMGSA-N 494.552 0.828 5 10 JCBE COc1cc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)ccc1O 253381238 DCTUOFRLHVQALB-REPDXFJASA-N 471.422 0.963 5 10 JCBE CN(C)C1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871518437 ZQUHIVFYRBVRII-UHFFFAOYSA-N 471.566 0.642 5 10 JCBE CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872630392 LZJVABRKZZODQW-OAHLLOKOSA-N 470.529 0.658 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865734712 OWIOUQOBRKKGRE-CJNGLKHVSA-N 485.497 0.450 5 10 JCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736158 JQGQIVBSMOOXGU-XHDPSFHLSA-N 471.470 0.651 5 10 JCBE CC(=O)N1CCN(Cc2cc(=O)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cn2CCO)CC1 1870590613 ZUBLAEMAIQOZHU-UHFFFAOYSA-N 488.497 0.858 5 10 JCBE CSCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1C(=O)CSC1=O 1872631845 BLYDOVOANFGSFS-ZDUSSCGKSA-N 476.558 0.806 5 10 JCBE CC(C)(C)OC(=O)NCC(=O)N1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 219057139 RDCCUEKVZTZTPT-UHFFFAOYSA-N 489.485 0.823 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619556 NQAPCSVYZPVQLQ-UHFFFAOYSA-N 471.566 0.426 5 10 JCBE CCc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621427 KAHRQAJIQWKGLX-GJZGRUSLSA-N 461.523 0.964 5 10 JCBE CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)C[C@H]2C1 1288296112 KFRARIJKAKOVAB-YESZJQIVSA-N 450.517 0.932 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCN2CCc3ccccc32)c([N+](=O)[O-])cc1OC 1867805713 DVOOKBZFMXOTDO-MRXNPFEDSA-N 458.471 0.882 5 10 JCBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NCCCn3ccnc3)[nH]2)cccc1[N+](=O)[O-] 1871644306 WEDAIBDGAYTWLG-UHFFFAOYSA-N 457.495 0.165 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCc2cn3c(n2)C[C@H](C)CC3)c([N+](=O)[O-])cc1OC 1867806247 IHLZIOFZXRVSQL-CJNGLKHVSA-N 475.502 0.840 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870076571 HYYHPOXHOHHEGH-UHFFFAOYSA-N 461.435 0.057 5 10 JCBE COCCN(CCOC)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518850 XPSKROMLGNONHX-UHFFFAOYSA-N 488.549 0.891 5 10 JCBE O=C1[C@H]2[C@H](C(=O)N1CCCCO)[C@](CO)(C(=O)O)N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 247393613 LSBDGNKMOASYKM-RQXXJAGISA-N 473.438 0.689 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834684 VRZDHVWKWHCCBC-MRXNPFEDSA-N 466.428 0.184 5 10 JCBE Cn1nc(N2CCC3(CC2)OCCO3)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869973706 BUDMAOGROURKJD-UHFFFAOYSA-N 471.430 0.301 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871708729 ZJFIPJYCISLILB-UHFFFAOYSA-N 468.522 0.826 5 10 JCBE C/C=C1\C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@@H]1OC(C)=O)[C@]23O 256325568 UJFFAMMZKASLBJ-UQDZYWBSSA-N 466.507 0.770 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)CC1 1359400184 DFPNXJKOSVKCDV-UHFFFAOYSA-N 461.548 0.586 5 10 JCBE CC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])nc2O)CC1 1860872171 IUKMNJRDTAUYMX-SOFGYWHQSA-N 469.458 0.761 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871645265 JWYREJPJAYYOQV-UHFFFAOYSA-N 471.566 0.562 5 10 JCBE CCOC(=O)C[C@@H]1C(=O)N[C@@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 1873000899 XZEBGXPMMHOESG-WOSRLPQWSA-N 462.459 0.625 5 10 JCBE CN(C)c1nc(CNC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)nc(N2CCOCC2)n1 1891459901 SGDWKHDZYIAVJN-UHFFFAOYSA-N 494.512 0.822 5 10 JCBE CCN1CCN[C@H](C(=O)CCc2nnc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc2O)C1 1860872557 QLSOEZCLFRQAIQ-HNNXBMFYSA-N 459.463 0.542 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865471011 UWBNZBPZPBLUNZ-QGZVFWFLSA-N 456.503 0.722 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCc2cn3ccsc3n2)c([N+](=O)[O-])cc1OC 1867806470 KPRPAQBBXSHLBC-CYBMUJFWSA-N 463.472 0.771 5 10 JCBE CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869442570 AHNKXRXTABAOOY-HSZRJFAPSA-N 475.546 0.886 5 10 JCBE O=C(NC[C@@H](O)Cn1ccccc1=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892103156 VGHRIGPXEBUOBW-AEFFLSMTSA-N 464.500 0.477 5 10 JCBE CCN(CC)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 505395536 MNXVRTXTWKGCPN-UHFFFAOYSA-N 455.537 0.276 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)N3CCC[C@H](CO)C3)c(O)n2)c1 1860846865 YQVWLDOBALRWES-LBPRGKRZSA-N 460.447 0.910 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867797322 YRGXPPASPDLTAF-UKRRQHHQSA-N 456.521 0.083 5 10 JCBE CC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1869751737 KYLZXQBDBYRQTL-UHFFFAOYSA-N 461.519 0.673 5 10 JCBE CN(C[C@@H]1CCCO1)C(=O)COc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872684150 OLDCYPXCKVQXQH-KRWDZBQOSA-N 474.474 0.956 5 10 JCBE Cc1cc(N2CCCCC2)nc(=NCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[nH]1 1891136959 DYLYZJSPEGPINN-UHFFFAOYSA-N 467.486 0.930 5 10 JCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C1 1865736125 JHTKJIARXXOGIH-DOMZBBRYSA-N 455.471 0.945 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871706095 ZGZXGJOMUSJJMS-UHFFFAOYSA-N 463.495 0.005 5 10 JCBE CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 10128980 GNNNAHJIFVUHPF-ZDUSSCGKSA-N 453.433 0.660 5 10 JCBE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)cccc1[N+](=O)[O-] 1858677841 QEAYXBNDDURESK-UHFFFAOYSA-N 459.444 0.884 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 1867911788 MUEWNZREEZRNCV-INIZCTEOSA-N 455.876 0.929 5 10 JCBE NS(=O)(=O)c1ccc(CCN=c2[nH]c(Nc3ccc(S(N)(=O)=O)cc3)ncc2[N+](=O)[O-])cc1 1871302681 RJHCKQZPXGNKNY-UHFFFAOYSA-N 493.527 0.500 5 10 JCBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313861964 KBWNYGKWORGLRO-HNNXBMFYSA-N 450.473 0.389 5 10 JCBE NC(=O)C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COc2ccccc2O1 2330596382 VNFOWQJEPIMLRN-IAGOWNOFSA-N 454.439 0.924 5 10 JCBE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865727638 XCJRUYYIBQSEPG-BONVTDFDSA-N 487.469 0.373 5 10 JCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCO)CC1 1870398414 QDERIXOKVOLTMJ-UHFFFAOYSA-N 473.486 0.430 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 1872628226 GXAJKUWZDUHWGH-UHFFFAOYSA-N 498.456 0.685 5 10 JCBE CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1 2313738946 ALKFWTXSHBUHHI-IEBWSBKVSA-N 474.470 0.511 5 10 JCBE COCCNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 49369944 QRKSMYVXPMSJPU-UHFFFAOYSA-N 456.506 0.856 5 10 JCBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@@](=O)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 586312421 JIUCYADCISWRIS-LJAQVGFWSA-N 454.486 0.877 5 10 JCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869793459 OWXYHBZNVYOWFD-MRXNPFEDSA-N 460.451 0.797 5 10 JCBE CCN1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870044609 RJABMTXTUOYJDB-INIZCTEOSA-N 477.547 0.869 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871619911 KHEVYYYUFBHISM-SFHVURJKSA-N 472.550 0.635 5 10 JCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 44021671 IMQGAARHTLJIRK-LTFPLMDUSA-N 468.415 0.630 5 10 JCBE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865624840 HXZMPQMJJNZSPL-GOSISDBHSA-N 486.529 0.910 5 10 JCBE Cn1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870073824 GJZQKEQEWJXJNP-UHFFFAOYSA-N 492.456 0.075 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1873696117 RYZRCLIIFOVHAF-ZDUSSCGKSA-N 497.439 0.615 5 10 JCBE CN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O 1891457300 CSIPQTORZALFMQ-BZUAXINKSA-N 450.473 0.211 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(=O)N3CCOCC3)c3ccc([N+](=O)[O-])cc3)ccc21 47163816 KZGBWTZVXGXQDB-UHFFFAOYSA-N 489.510 0.839 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)cc2[N+](=O)[O-])CC1 1651430156 PKPNQSOZMUGFRI-DLBZAZTESA-N 450.517 0.770 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865735003 WFLAQQAOISWESR-HNNXBMFYSA-N 499.480 0.052 5 10 JCBE CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869441331 DJQOMOKFCTUCFY-HXUWFJFHSA-N 475.546 0.886 5 10 JCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869783224 JOJVGWGNKSKQCN-HNNXBMFYSA-N 492.489 0.014 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NC[C@@H]1CCCO1)=C(N)O2 1865717127 PMJQXXPWPPXKEH-FZMZJTMJSA-N 491.888 0.635 5 10 JCBE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867847580 FJFWIZZYUZQEDK-LJQANCHMSA-N 467.435 0.505 5 10 JCBE O=C1[C@@H]2[C@H](c3ccc4c(c3)OCCO4)N[C@](CO)(C(=O)O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 247372793 HMKORSFCCUIZJS-ORGXJRBJSA-N 469.406 0.632 5 10 JCBE COC(=O)c1c(S(C)(=O)=O)nn(-c2cnccc2[N+](=O)[O-])c1I 2080344541 MEIQYEAKIZMNGZ-UHFFFAOYSA-N 452.186 0.970 5 10 JCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] 1866893201 PDXZJIOTJLSINA-CYBMUJFWSA-N 467.456 0.745 5 10 JCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1867770976 HTBTUVFQWHBQGX-INIZCTEOSA-N 484.918 0.735 5 10 JCBE COc1cc(C(=O)NCC(=O)N2CCN(C(=O)CCN3CCCC3)CC2)c([N+](=O)[O-])cc1OC 1869763572 MZRIXODBRLGYRX-UHFFFAOYSA-N 477.518 0.499 5 10 JCBE O=C(NCCN1CCOCC1)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905088 FDXVJQOKYDKWQF-SFHVURJKSA-N 473.530 0.635 5 10 JCBE O=C(NCCN1CCOCC1)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 1860842965 KMYJRYCNFHDOIR-FQEVSTJZSA-N 461.519 0.484 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871619276 GHFFPQCURRUVAQ-UHFFFAOYSA-N 457.495 0.098 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)NCCN2CCOCC2)c([N+](=O)[O-])c1 1872703443 JUSNOCJGBIBMBG-UHFFFAOYSA-N 450.408 0.066 5 10 JCBE O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 2327470768 MCIQHJHOUSESBD-UHFFFAOYSA-N 471.474 0.518 5 10 JCBE COCCCN(C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 1859463659 MDZWVECEVGNTAD-CYBMUJFWSA-N 453.473 0.633 5 10 JCBE CCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867798758 WLLMSYKJZYVOQE-AWEZNQCLSA-N 451.480 0.355 5 10 JCBE COC(=O)COc1cn(CCNC(C)=O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870449669 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COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)ccc1[N+](=O)[O-] 1858677401 UVRMYJPVOZFZKN-UHFFFAOYSA-N 475.443 0.584 5 10 JCBE CC(=O)NCCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870362466 XUGKQIWIWLOQRB-UHFFFAOYSA-N 473.530 0.976 5 10 JCBE COCCNC(=O)COc1cn(CCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870962000 LZRYABREAIKSNR-UHFFFAOYSA-N 489.529 0.842 5 10 JCBE CC(=O)N1CCN(c2nc(=Nc3cc([N+](=O)[O-])ccc3C)nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871733438 QTBNYDJUGZTXHS-UHFFFAOYSA-N 483.533 0.591 5 10 JCBE O=C(NC1CCN(C(=O)NCCN2CCOCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585918122 MMPNRDJJAMDATC-UHFFFAOYSA-N 450.452 0.739 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 1861128030 YRWFYXAWEIGRNW-JZLODUJNSA-N 461.475 0.705 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCO)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892882 SLRJEQRPOADKOX-GFCCVEGCSA-N 485.375 0.921 5 10 JCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869751992 QAQWDXOHJXXAKU-KRWDZBQOSA-N 490.561 0.172 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)NCCCN2CCOCC2)c([N+](=O)[O-])c1 1872703484 LWVGBBYSAFQEOB-UHFFFAOYSA-N 464.435 0.456 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCCCN1[C@H]1C(=O)CSC1=O 1866022816 NUMPVHRUESGIRA-YOEHRIQHSA-N 460.468 0.720 5 10 JCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCC[C@H](O)CN1CCCCC1 1867782903 XQQYZMXXVGXDAA-MJGOQNOKSA-N 477.562 0.903 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC[C@@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833401 LHDAAWRFTWZPGY-IAGOWNOFSA-N 450.379 0.973 5 10 JCBE CN(C)[C@@H](CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867834882 XRKHCRSMOFTCEV-SJORKVTESA-N 489.441 0.742 5 10 JCBE O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872904910 BUVVPAXBYYQQIX-JKSUJKDBSA-N 478.527 0.490 5 10 JCBE CCOC(=O)N1CCN(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1858623801 RPJMTIIUZHGTCI-UHFFFAOYSA-N 455.493 0.795 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865719216 VAVPTJLDBNZBNF-HNNXBMFYSA-N 489.485 0.324 5 10 JCBE CC(=O)Oc1ccc(C[C@@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)O)cc1 1866025821 DGTOLVDEKHRWIW-QGZVFWFLSA-N 455.379 0.928 5 10 JCBE Cc1c(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cccc1[N+](=O)[O-] 1873017622 WXFUFHZJFLNPRA-QGZVFWFLSA-N 459.503 0.259 5 10 JCBE CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606265 SRSJELMWMUCFBT-CQSZACIVSA-N 456.502 0.616 5 10 JCBE O=C1CCCN1CCCN1C[C@H](C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CC1=O 1873016114 ICXFTBDGHCDPTD-YESZJQIVSA-N 471.514 0.563 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCO)=C(N)O2 1864893402 AAUXGVDOVBPXQJ-INIZCTEOSA-N 459.459 0.855 5 10 JCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] 1867234914 LAGRVDSCUDIZBK-CQSZACIVSA-N 452.445 0.289 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1891331790 GZDOOALGHIYETQ-UHFFFAOYSA-N 481.469 0.166 5 10 JCBE Nc1cc2c(nn1)CC[N+](C(=O)[C@H]1CC(=O)N(CC3CC3)C1)(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2 72306983 OECDBDGHPBPYIX-ROUUACIJSA-N 481.577 0.502 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1cccs1)=C(N)O2 1865717440 WDQDXGQDNBIXKJ-AWEZNQCLSA-N 485.478 0.770 5 10 JCBE C[C@@H]1CN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)C[C@@H](C)O1 1871518058 PAFADCVKEMGQDD-HZPDHXFCSA-N 458.523 0.725 5 10 JCBE Cn1c(=O)c2c(nc(Br)n2C[C@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 606630665 PHTAHPZCQCHHMS-VIFPVBQESA-N 454.237 0.544 5 10 JCBE COC(=O)c1cc([N+](=O)[O-])c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c([N+](=O)[O-])c1 1857782640 DWLTUCSRPRGDTL-UHFFFAOYSA-N 450.389 0.725 5 10 JCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 1869723136 BQOCCODHNXHEQF-UHFFFAOYSA-N 467.910 0.371 5 10 JCBE O=C(N=c1nc(N2CCC3(CC2)OCCO3)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1869975438 XCQJVACCDVRCAO-MRXNPFEDSA-N 492.514 0.563 5 10 JCBE C[C@@H](O)CN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520004 FYCJVWVWECUKCH-CQSZACIVSA-N 452.479 0.277 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871620960 GMJOTOGMAFVONE-UHFFFAOYSA-N 471.522 0.146 5 10 JCBE CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 169677227 HYDOQUGESQZSCY-FPOVZHCZSA-N 458.563 0.558 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 1867911790 MUEWNZREEZRNCV-MRXNPFEDSA-N 455.876 0.929 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1870003643 OSXCNEOOFPBFSR-JTQLQIEISA-N 456.868 0.633 5 10 JCBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9343576 BJRSFLUGAHHBME-UHFFFAOYSA-N 498.539 0.923 5 10 JCBE COCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870396667 SSVCLMSLIMDWMX-UHFFFAOYSA-N 464.475 0.207 5 10 JCBE Cc1c(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871646312 YCIUEOLEZYCENZ-UHFFFAOYSA-N 472.550 0.771 5 10 JCBE O=C([C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1)N1CCOCC1 1892108587 ZPQKEZFPMDVIIP-CYBMUJFWSA-N 453.395 0.862 5 10 JCBE CN(CCO)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 1870031891 WJOJYFVSCXARRK-NSHDSACASA-N 458.884 0.880 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867822609 XZPQQHCRNALNEU-INIZCTEOSA-N 460.399 0.932 5 10 JCBE Cc1cc(C(=O)N=c2nc(N3CCC(CO)CC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869979846 BDQKDBIBVXOPLU-MRXNPFEDSA-N 478.531 0.737 5 10 JCBE O=c1cc(CN2CC(O)C2)n(CCOCCO)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870590130 NWTAVKFCQYRMQB-UHFFFAOYSA-N 477.470 0.387 5 10 JCBE COc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1 1891299423 AFZLXRYRBUKVOF-UHFFFAOYSA-N 479.519 0.704 5 10 JCBE CN1CCC(N(C)C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1860873385 IIHXRMFWVBAJHF-UHFFFAOYSA-N 469.564 0.958 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865722260 NQOBAZZHGPIKSP-AWEZNQCLSA-N 459.459 0.230 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865734369 JORPBDONFJHAEP-OAHLLOKOSA-N 455.471 0.945 5 10 JCBE CN(CCO)c1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870031093 HLOFFSGCFRXBBR-SZTZYQKNSA-N 450.477 0.626 5 10 JCBE O=C(COc1cn(CCCN2CCCC2=O)c(CN2CC(O)C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870396320 NBJONFFIGXFRSI-UHFFFAOYSA-N 499.524 0.963 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCc3ccc(O)cc3)[nH]2)cc1[N+](=O)[O-] 1871708613 TXHGSJAKIKSYCS-UHFFFAOYSA-N 496.528 0.808 5 10 JCBE Cn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873544232 WNEIYLHWWLNPKH-UHFFFAOYSA-N 469.502 0.630 5 10 JCBE Cn1c(=O)[nH]c(N)c(NC(=O)c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1=O 39125176 MITSKOVVOIURDU-UHFFFAOYSA-N 461.412 0.584 5 10 JCBE Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(=O)N3CCOCC3)c3cccc([N+](=O)[O-])c3)ccc21 47163802 ANANLXINQJNDCI-UHFFFAOYSA-N 489.510 0.839 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCc1ccc2nccnc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788298 FBMYEKFKUAOJDL-IBGZPJMESA-N 480.481 0.782 5 10 JCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCOCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869952416 BYWPPDLZJGOXLW-CQSZACIVSA-N 450.477 0.564 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nn[nH][nH]3)cc2)c1 1859001294 XXSCARBEJUDPEQ-UHFFFAOYSA-N 490.458 0.021 5 10 JCBE CN(C)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865718434 KLCRJBFIHYIGHG-CYBMUJFWSA-N 478.893 0.018 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 1129286980 DFFJCIGMTLUQBB-INIZCTEOSA-N 453.521 0.369 5 10 JCBE CC(C)(C)OC(=O)NCCNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 1860832910 WYEVMIGKWRFUOQ-UHFFFAOYSA-N 471.536 0.931 5 10 JCBE C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869927144 SEWDHZCDLIUPJK-CYBMUJFWSA-N 497.489 0.873 5 10 JCBE COCCNC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870967550 RDGMLVJDTDUWFM-CQSZACIVSA-N 464.475 0.899 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871621066 GMFFXPHCEJZERW-UHFFFAOYSA-N 459.555 0.017 5 10 JCBE CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1 2313738948 ALKFWTXSHBUHHI-PKOBYXMFSA-N 474.470 0.511 5 10 JCBE CN1CCC(C(=O)Nc2nnc(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(O)n2)CC1 1859093948 SIGCXPGRCJLWCD-UHFFFAOYSA-N 472.506 0.927 5 10 JCBE O=C(N[C@@H](CO)C(=O)NCCC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784902 QRJJSCIQDHESFP-RDJZCZTQSA-N 482.559 0.617 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858975705 CIGSNGMYPSYQTF-UHFFFAOYSA-N 491.526 0.620 5 10 JCBE CC(=O)NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCO)C2=O)cc1 1863230711 MBBIVAPPLIZGGN-UHFFFAOYSA-N 474.451 0.604 5 10 JCBE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1541003134 LRANBRDTSHZZMB-INIZCTEOSA-N 493.590 0.887 5 10 JCBE COCc1nnc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)s1 1858636333 BGTQAMVZAXFWOP-UHFFFAOYSA-N 456.506 0.538 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865722504 SVWLVWCLXBUJQV-AWEZNQCLSA-N 459.459 0.230 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865734742 PONKOUFQQQIGMB-OAHLLOKOSA-N 471.470 0.651 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821350 LPOUQKAZHNIWRM-DOTOQJQBSA-N 467.479 0.255 5 10 JCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865721293 ORERIFREMREDPG-OAHLLOKOSA-N 472.502 0.145 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705520 NCXFAALVAQLCAF-UHFFFAOYSA-N 473.538 0.408 5 10 JCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 1873725915 KHLVVMWJXBRHCO-UHFFFAOYSA-N 465.422 0.791 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865736182 JXEANRJREYEAHR-OAHLLOKOSA-N 471.470 0.795 5 10 JCBE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 1869624027 MTDGSIFMZAAYQM-LLVKDONJSA-N 466.406 0.983 5 10 JCBE CN1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576459 UCSGUUGUXAUDJT-UHFFFAOYSA-N 491.984 0.907 5 10 JCBE CCN=c1cc(C)nc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)[nH]1 1891259179 KEKQXUFQPUJTBJ-UHFFFAOYSA-N 453.459 0.492 5 10 JCBE CC(=O)N1CCN(C(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)CC1 1860879201 UWFICRCVDPZRTH-FQEVSTJZSA-N 472.546 0.642 5 10 JCBE CC(=O)NCCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577828 CGBYQKUVMOBGLF-UHFFFAOYSA-N 450.887 0.530 5 10 JCBE O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872904909 BUVVPAXBYYQQIX-HZPDHXFCSA-N 478.527 0.490 5 10 JCBE CC(=O)OC[C@H]1O[C@H](Oc2ccc(CO)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1911531584 SUGKFMFBWQNBMQ-TXVWBRJLSA-N 499.425 0.549 5 10 JCBE COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(=O)c3cccc([N+](=O)[O-])c3)[C@H](O)[C@H](O)[C@@H]1OC2=O 1616183352 FYHDVZOWQSEFHF-HRMJQOTNSA-N 477.378 0.572 5 10 JCBE biogenic CCOC(=O)N1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1861027864 HQPJMLHOSBVKEK-AWEZNQCLSA-N 469.882 0.959 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CC(O)C1)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865588295 ZRTNTPPYMLJQSZ-QGZVFWFLSA-N 457.443 0.789 5 10 JCBE CC[C@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867799296 ARGUIFPSKGXVJY-FQEVSTJZSA-N 451.480 0.355 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCc2ccc3nccnc3c2)c([N+](=O)[O-])cc1OC 1867806783 NBBMOTGSHQZIDQ-MRXNPFEDSA-N 455.427 0.962 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867898691 OUQMDRFLXQIPOA-LBPRGKRZSA-N 490.947 0.837 5 10 JCBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1870003624 OBUPUFRFYFZWRE-JTQLQIEISA-N 456.868 0.633 5 10 JCBE CCN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870052076 SNDFGYOMTTYDIF-AWEZNQCLSA-N 452.493 0.347 5 10 JCBE CC(=O)N[C@@H](C)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858647158 WRENYDQXKBDUAM-AWEZNQCLSA-N 491.526 0.966 5 10 JCBE CCc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865624894 INOOZWXKNODVSD-KRWDZBQOSA-N 472.502 0.427 5 10 JCBE CC(=O)NCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870669901 ITKZMPAITUXWPB-UHFFFAOYSA-N 472.502 0.079 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H]3CCCO3)[nH]2)ccc1Cl 1871575430 BENRZYXTYGUJSA-ZDUSSCGKSA-N 453.887 0.403 5 10 JCBE CCN(CC)CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705497 MELFHZKZHUCNQN-UHFFFAOYSA-N 478.554 0.311 5 10 JCBE O=C(O)CN1C(=O)c2ccc(C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc2C1=O 1873788587 HLLXWORHSCAQOG-AAEUAGOBSA-N 466.406 0.697 5 10 JCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCC(=O)NCCN2CCOCC2)c(O)n1 2328754434 PAHZICCUEBLQOV-UHFFFAOYSA-N 471.474 0.518 5 10 JCBE CCN1CCN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870043082 GNGSQIHTXWJPEY-UHFFFAOYSA-N 456.463 0.490 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 504249678 NAEXCCUZPJWPMZ-OXZADQLBSA-O 467.926 0.810 5 10 JCBE in-vitro COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867870741 BYEJCHVSMROLLM-SFHVURJKSA-N 486.481 0.745 5 10 JCBE CCOC(=O)N1CCN(C(=S)NCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 586415918 BGLLWKVUUNMALR-UHFFFAOYSA-N 454.465 0.881 5 10 JCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865721984 HBRUAHGYLULYSB-AWEZNQCLSA-N 493.904 0.883 5 10 JCBE C/C=C1\C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@H]1OC(C)=O)[C@]23O 256325559 UJFFAMMZKASLBJ-NQNXHVJTSA-N 466.507 0.770 5 10 JCBE Cc1c(C(=O)Nc2nnc(CCC(=O)N3CCN(CCO)CC3)c(O)n2)cccc1[N+](=O)[O-] 1860887575 FMKAULFJOABHCT-UHFFFAOYSA-N 459.463 0.115 5 10 JCBE O=C1CN(C(=O)c2cccc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)CCN1 1873733484 ILVVTVCKDGRKFW-UHFFFAOYSA-N 451.395 0.402 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COc2ccccc2O1 1861127649 VNFOWQJEPIMLRN-JSMQFAGNSA-N 454.439 0.924 5 10 JCBE O=C1CC[C@H](N2C(=O)c3cccc(OCC(=O)Nc4ccc([N+](=O)[O-])cn4)c3C2=O)C(=O)N1 1865837884 IHRRCROXKUMGLV-LBPRGKRZSA-N 453.367 0.409 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833236 KJCIGFPKMQGTKX-GOSISDBHSA-N 471.426 0.295 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 1872674483 OMOCGRUEOIVMFE-UHFFFAOYSA-N 463.403 0.983 5 10 JCBE CC(=O)OCCn1nc(C(=O)N2CCN(c3nncc(O)n3)CC2)cc1-c1cccc([N+](=O)[O-])c1 1859419627 QNAVNLZDRNLKAH-UHFFFAOYSA-N 482.457 0.874 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1867909043 JTRPRUHLVLIUNH-AWEZNQCLSA-N 474.923 0.895 5 10 JCBE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)[C@@H](C)C1 1301722476 RPDUDDFXONAWKI-HNNXBMFYSA-N 457.491 0.769 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865624895 INOOZWXKNODVSD-QGZVFWFLSA-N 472.502 0.427 5 10 JCBE COc1cccc2c1C(=O)N(CC(=O)NCC(=O)N1CCN(c3ccc([N+](=O)[O-])cn3)CC1)C2=O 1865846844 YXCBOKSXAGMVCW-UHFFFAOYSA-N 482.453 0.059 5 10 JCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867872133 AMNQZWJPYMWODF-LBPRGKRZSA-N 490.947 0.837 5 10 JCBE O=C1N[C@H](CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)C(=O)Nc2ccccc21 1860165561 YOFVDSLMSKBGDN-DVOMOZLQSA-N 451.439 0.843 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCCN(C)C)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645819 PTXYZNFXKJTMFI-UHFFFAOYSA-N 457.539 0.708 5 10 JCBE CC(C)[C@H](NC(=O)CNC(=O)CN)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 585672222 PQBNCCLMBWTHRK-UGKGYDQZSA-N 498.540 0.240 5 10 JCBE CC(=O)N[C@H](C)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858647159 WRENYDQXKBDUAM-CQSZACIVSA-N 491.526 0.966 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867795319 HURZNDJUFQGLAU-IAGOWNOFSA-N 451.524 0.105 5 10 JCBE Cc1c(C(=O)NCC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867807797 IYNBTGVFRDHQEE-UHFFFAOYSA-N 479.471 0.938 5 10 JCBE CC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578034 MEIZWPJSBQZNGS-UHFFFAOYSA-N 480.913 0.110 5 10 JCBE COc1cc([C@@H]2N[C@](C(=O)O)([C@H](C)O)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)ccc1O 253381237 DCTUOFRLHVQALB-MQALHPBXSA-N 471.422 0.963 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=S)NCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 586403490 AULPOGVZGYKBTQ-UHFFFAOYSA-N 451.530 0.679 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 1867850150 ZRLOBEYQJUXUEJ-INIZCTEOSA-N 480.522 0.434 5 10 JCBE COCCN(CCOC)c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870079880 YOVHWBOFIRZPQY-MRXNPFEDSA-N 496.546 0.826 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCOCCO)[nH]2)c1 1871520980 RMHYSNMFMCFULD-UHFFFAOYSA-N 481.517 0.510 5 10 JCBE CN(CCO)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576395 QPAZAASEYPSRDQ-UHFFFAOYSA-N 466.930 0.583 5 10 JCBE COc1c(O)cc2c(=O)oc3c(O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c34 40864091 IAYGIELPGJHKME-UKZWKHHHSA-N 462.363 0.117 5 10 JCBE N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccncc1 100851346 RTBXNSOSMIBCFE-UHFFFAOYSA-N 459.510 0.634 5 10 JCBE COC(=O)[C@H]1CCCN(C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)C1 1860846832 XFBPSNCAZUHKJC-HNNXBMFYSA-N 484.531 0.817 5 10 JCBE CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868598732 OWLIEROKMFTEOX-CRAIPNDOSA-N 452.533 0.963 5 10 JCBE C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 642805907 VTSRUVIUDWPAMW-JVPBZIDWSA-N 467.482 0.808 5 10 JCBE O=C(N=c1nc[nH][nH]1)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858673261 PYGSBRAHYJCOKO-UHFFFAOYSA-N 490.414 0.483 5 10 JCBE Cc1nn(C)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865620214 ICFJQCVDGYTSCF-INIZCTEOSA-N 456.459 0.761 5 10 JCBE O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1873694673 IBCKHPFEMMENSW-UHFFFAOYSA-N 476.471 0.676 5 10 JCBE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 2053515663 DZUSNOPVGIMEFW-UNMCSNQZSA-N 491.522 0.840 5 10 JCBE O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccc3c(c1)OCCO3)N[C@]2(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 247351785 CLHDCMDRHSOAEG-FOUBCARRSA-N 453.407 0.965 5 10 JCBE COC(=O)C1CCN(C(=O)Cc2ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1860846840 XSXHCNQDQDGWLT-UHFFFAOYSA-N 484.531 0.817 5 10 JCBE COc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CCN3CCCC3)CC2)c([N+](=O)[O-])cc1OC 1869763992 UTYQUMGCQHQCFN-INIZCTEOSA-N 491.545 0.887 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCC(O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696616 LELLMCNXCNRHCL-UHFFFAOYSA-N 476.486 0.732 5 10 JCBE O=C(COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC[C@H]1CCCO1 1872644781 POQYADILLFQQBG-QGZVFWFLSA-N 474.474 0.543 5 10 JCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864896170 ZIERYWGCWXHHPG-KRWDZBQOSA-N 486.485 0.609 5 10 JCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865739601 REPUWFDYWCGWML-MRXNPFEDSA-N 484.513 0.239 5 10 JCBE Cc1cccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867792379 KGUKSIPGOLTFAX-SFHVURJKSA-N 485.497 0.585 5 10 JCBE CCN1CCN(c2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870045216 WVJROVBGUVLRNX-OAHLLOKOSA-N 493.546 0.949 5 10 JCBE O=C(NC1CC1)[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1892170886 HNHUHMURLSHIPL-MSOLQXFVSA-N 466.516 0.644 5 10 JCBE CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1 14019644 ALKFWTXSHBUHHI-ORHCODBLSA-N 474.470 0.511 5 10 JCBE NS(=O)(=O)c1ccc(CNC(=O)NCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 217306931 SLOSEESVOHBFNN-UHFFFAOYSA-N 461.456 0.728 5 10 JCBE CCN(CC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731677 XEQMUQQHUMGUMZ-OAHLLOKOSA-N 487.469 0.326 5 10 JCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 1865733152 UXSUUMNTWPNSAP-ZOWXZIJZSA-N 471.470 0.323 5 10 JCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccccc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833054 IRBZMNICADOWCB-ROUUACIJSA-N 487.425 0.731 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 1867845599 IZOSRXYLUMPPRS-CVEARBPZSA-N 467.479 0.255 5 10 JCBE COc1ccc(CCN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871517937 KGNYYSLQBVKPLA-UHFFFAOYSA-N 469.502 0.821 5 10 JCBE CCc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@H](C)C3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621426 KAHRQAJIQWKGLX-GASCZTMLSA-N 461.523 0.964 5 10 JCBE COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c([N+](=O)[O-])c1 1872718484 GWGACPLMDSIBRS-UHFFFAOYSA-N 469.472 0.596 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1873695777 JYQGPNLVRQWXRO-CQSZACIVSA-N 479.449 0.476 5 10 JCBE COc1cc(C(=O)O)c(CNC(=O)Cn2nc([N+](=O)[O-])nc2Br)c(OC)c1OC 59087005 WCIVIBMQFCXGHR-UHFFFAOYSA-N 474.224 0.989 5 10 JCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865730165 OSJCRLFETRNWNJ-OAHLLOKOSA-N 487.469 0.098 5 10 JCBE O=C(Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O)NC[C@H]1CCCO1 1870102917 CGGDHLWRPKGFGO-OAHLLOKOSA-N 471.430 0.106 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCCCCO)=C(N)O2 1865726751 PBMFNOFXHYAYAX-CQSZACIVSA-N 493.904 0.619 5 10 JCBE CCN=c1nc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc(C)[nH]1 1891259305 RBEGTRANIVVRJA-UHFFFAOYSA-N 453.459 0.492 5 10 JCBE CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 101158395 IMQGAARHTLJIRK-UEDWAMCQSA-N 468.415 0.630 5 10 JCBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCCN2C(=O)CSC2=O)c([N+](=O)[O-])c1 1872644338 OTDJFNFNPDCWSD-UHFFFAOYSA-N 494.442 0.358 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865734740 PMYFEBQRGWPMRR-OAHLLOKOSA-N 455.471 0.945 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867791745 GSVPSVYVMKRRMZ-NQIIRXRSSA-N 488.497 0.381 5 10 JCBE Cc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848292 WLZDYIQZXCPHSY-AWEZNQCLSA-N 460.399 0.932 5 10 JCBE CC(=O)NCCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872625854 ZRAQMGRUZOKSCT-INIZCTEOSA-N 452.464 0.876 5 10 JCBE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](NS(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)ccc21 1858330058 QDBUUEHICAQQNC-CQSZACIVSA-N 480.524 0.855 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820152 BIDYAVFMSZRHFF-LIRRHRJNSA-N 499.480 0.992 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCOC)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871707285 JBAYDFLROBTIDD-UHFFFAOYSA-N 476.494 0.713 5 10 JCBE Cc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864946908 WBGNWVFVDWXUNU-GOSISDBHSA-N 472.502 0.875 5 10 JCBE CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867800751 ATOFYOVYJOXTHZ-WBMJQRKESA-N 474.470 0.909 5 10 JCBE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cn2CCO)CC1 1870696660 NAGWEABMVAHNSD-UHFFFAOYSA-N 489.529 0.912 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CC)CCO)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619248 FAFYXHKHNZJLBM-UHFFFAOYSA-N 460.539 0.492 5 10 JCBE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 487563426 KZQORUOTUJOCDI-HNNXBMFYSA-N 467.548 0.806 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2[N+](=O)[O-])CC1 590768006 RNCNPVLOXRSNIY-IBGZPJMESA-N 473.530 0.974 5 10 JCBE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(CCC(=O)N2CCN(CCO)CC2)c(O)n1 1860845815 IPFGTECAULGTIU-GQCTYLIASA-N 471.474 0.206 5 10 JCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865734680 OGHSOUJWLAFNLU-OAHLLOKOSA-N 455.471 0.945 5 10 JCBE CN1CCN(c2nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520033 GHHOPNKVZQSFOJ-UHFFFAOYSA-N 499.557 0.379 5 10 JCBE C[C@@H](O)CN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576057 CWVUCWDRRDYUFN-CYBMUJFWSA-N 486.924 0.930 5 10 JCBE CC(=O)N1CCN(c2nc(=Nc3ccc(C)cc3[N+](=O)[O-])nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871733743 VOJMLBIAFFXURH-UHFFFAOYSA-N 483.533 0.591 5 10 JCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)O)cc2)cc1[N+](=O)[O-] 1858975861 FPRZLTNUZGNJFY-UHFFFAOYSA-N 480.455 0.648 5 10 JCBE CCOC(=O)N1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 1861128031 YRWFYXAWEIGRNW-ZGRWHYIRSA-N 461.475 0.705 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820610 FJRJHVVNNQLYPW-SWLSCSKDSA-N 472.476 0.233 5 10 JCBE O=C(Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1869959624 XLZKWJIRGRCPTI-GFCCVEGCSA-N 488.910 0.243 5 10 JCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCn1c(=O)c(=O)[nH]c2ccccc21 1873725992 NDBYPIJQEVVMPQ-UHFFFAOYSA-N 465.422 0.791 5 10 JCBE C[C@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)nc2C1 1867795760 PSZBUXXOLZMDSE-WMLDXEAASA-N 458.519 0.889 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1891637489 RDRXVWQABSAWPR-UHFFFAOYSA-N 491.464 0.872 5 10 JCBE NS(=O)(=O)c1cc2c(cc1Cl)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CNS2(=O)=O 58901784 GXZMRNUXKLKGTK-UHFFFAOYSA-N 482.905 0.340 5 10 JCBE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)CC1 253572908 QTESCOVEKBKDKD-UHFFFAOYSA-N 462.536 0.328 5 10 JCBE CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)CC1 1540961933 DTSREFDYBKZHRY-UHFFFAOYSA-N 477.547 0.947 5 10 JCBE Cc1c(C(=O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 1861010621 MQAFNLYYSSMRIP-INIZCTEOSA-N 477.499 0.231 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@H]1CO)=C(N)O2 1865739471 OSHPJAFKURRECV-SMDDNHRTSA-N 491.888 0.324 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 1867794992 BJDSIFHQKXZDRZ-MRXNPFEDSA-N 479.515 0.310 5 10 JCBE COc1ccc(CCN=c2nc(N(CCO)CCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1 1871707662 PONVFBJYDPPQNN-UHFFFAOYSA-N 499.528 0.830 5 10 JCBE NS(=O)(=O)c1ccc(CCNC(=O)c2nonc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1872710142 VQDBOQNENOYUCZ-UHFFFAOYSA-N 490.454 0.615 5 10 JCBE CCN1CCN[C@@H](C(=O)CCc2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2O)C1 1860871936 BORBSWRJLWXGOJ-RCMYXZNBSA-N 455.475 0.933 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccncc1)=C(N)O2 1865715978 ODUZZVBBTHJKCQ-HNNXBMFYSA-N 480.437 0.104 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870067419 NWFWCXNVBIBXMB-OAHLLOKOSA-N 477.503 0.500 5 10 JCBE O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCOCC3)C[C@H]12 35870425 BRFTUGJXUXEXSH-JTHBVZDNSA-N 494.552 0.828 5 10 JCBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 1861129863 MAUNEHFTAREBCR-DMGQIGSTSA-N 454.439 0.924 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccccn1)=C(N)O2 1865716804 JFTQKIXVVNMECI-HNNXBMFYSA-N 464.438 0.398 5 10 JCBE O=C([C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(CN2C(=O)CCC2=O)C1 1892350353 YBLFRYHZEVDXTP-QGZVFWFLSA-N 464.500 0.745 5 10 JCBE CCS(=O)(=O)CC[C@@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 170490656 OIDPSLNCRRLJIY-CQSZACIVSA-N 455.445 0.365 5 10 JCBE C[N+](C)(CCO[C@H](c1ccc(Cl)cc1)c1ccccn1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 575418415 NAEXCCUZPJWPMZ-LJGAWZCMSA-O 467.926 0.810 5 10 JCBE in-vitro COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nn[nH][nH]3)cc2)cc1[N+](=O)[O-] 1858998176 NSWOQEIYZPEQNQ-UHFFFAOYSA-N 490.458 0.021 5 10 JCBE O=C1C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCN1CCOCC1 1863594871 LNLHKQSCIGXYBI-UHFFFAOYSA-N 487.557 0.709 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871707547 XSIFXIOVJDMYDA-CYBMUJFWSA-N 461.479 0.512 5 10 JCBE CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 218986420 VKYUXMNLMLGCCI-UHFFFAOYSA-N 475.458 0.386 5 10 JCBE CC(=O)NCCCCCCNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860905983 NXKRUWKMACIVFN-UHFFFAOYSA-N 473.490 0.905 5 10 JCBE CN(C)CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863591950 DPDJBRWINYGFGD-UHFFFAOYSA-N 487.538 0.716 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N(CCN)C(C)=O)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865584878 KAAYGCBZXQPMAJ-SFHVURJKSA-N 486.485 0.919 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865719308 VAAXHXFFIYJYJU-KRWDZBQOSA-N 493.476 0.882 5 10 JCBE CN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865735835 DCLIZWXXEAOPQA-AWEZNQCLSA-N 490.904 0.114 5 10 JCBE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867831854 JKZIBPKGJCNCTH-CQSZACIVSA-N 453.408 0.197 5 10 JCBE C[C@@H]1CN(c2nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871314583 AGCIGJAESNOPIE-VXGBXAGGSA-N 451.509 0.305 5 10 JCBE Cc1cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 1867861420 CUQKUCIILFXFGB-INIZCTEOSA-N 464.500 0.431 5 10 JCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867872975 HJFBJVGAOUTEQN-CQSZACIVSA-N 484.918 0.776 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870061497 AEVZHHXISZIWFD-GFCCVEGCSA-N 495.474 0.668 5 10 JCBE CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872630337 KIKYSFOHKHHMSW-QGZVFWFLSA-N 470.529 0.658 5 10 JCBE Cc1ccc(S(=O)(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1858635830 YZRFHVBASKRSKR-UHFFFAOYSA-N 482.540 0.715 5 10 JCBE CCN1CCN[C@@H](C(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c([N+](=O)[O-])c2)C1 1860878986 MXTNGKDPERLFDI-UYAOXDASSA-N 458.563 0.814 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)NCCCNC=O)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891562 NTZMRWYYDYLULU-GOSISDBHSA-N 486.485 0.838 5 10 JCBE CN(C)CCCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=NCCCN(C)C)[nH]1 1871471238 HAMWBWDNCAYMAB-UHFFFAOYSA-N 486.625 0.677 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCn3ccnc3)[nH]2)cc1[N+](=O)[O-] 1871621020 JALGTAHONWLYLN-UHFFFAOYSA-N 471.522 0.419 5 10 JCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 1866637970 CKBZJVSNHLEIRC-HNNXBMFYSA-N 480.499 0.892 5 10 JCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869863017 IIPDDJJAABDRAX-OAHLLOKOSA-N 481.937 0.760 5 10 JCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCCO)[nH]2)c1 1871520092 COTNKGODHDJFIY-UHFFFAOYSA-N 451.491 0.883 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1873696282 WJMAPYNESYTWHS-AWEZNQCLSA-N 479.449 0.476 5 10 JCBE O=C1CCCN1CCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCN2CCOCC2)C1=O 1863594988 QJNXNEJHRZOVSM-UHFFFAOYSA-N 485.541 0.999 5 10 JCBE COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868131622 ZBRBXXPNJZWHGT-UHFFFAOYSA-N 491.526 0.908 5 10 JCBE CCN(CCO)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708622 UJLGNZPLHUAJRO-UHFFFAOYSA-N 457.495 0.893 5 10 JCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNS(=O)(=O)c1cccc2nsnc12 1873692328 BCFSWZABCQCDLP-UHFFFAOYSA-N 490.479 0.290 5 10 JCBE NCCSC[C@@H]1O[C@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@@H](O)[C@@H]1O 22066461 OAFPVFZXWPVEBS-YBKUAAOGSA-N 461.504 0.658 5 10 JCBE CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858333480 HXMALNIOQHJHRK-CQSZACIVSA-N 460.534 0.146 5 10 JCBE CC(=O)N1CCN(C(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1 1860866469 GGVDQAKKRFMAQZ-HXUWFJFHSA-N 459.503 0.727 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867794979 BFZALEADILQWDW-KRWDZBQOSA-N 493.542 0.148 5 10 JCBE C[C@@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)nc2C1 1867795759 PSZBUXXOLZMDSE-RHSMWYFYSA-N 458.519 0.889 5 10 JCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[nH]o1 1869799203 MYNLMQVRBNVDLC-ZDUSSCGKSA-N 460.403 0.889 5 10 JCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCO)[nH]2)ccc1Cl 1871578126 QSIMKHGOWUQSQY-UHFFFAOYSA-N 480.957 0.709 5 10 JCBE O=C(N[C@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867783355 HSGSHEOHARUREA-HXUWFJFHSA-N 495.536 0.987 5 10 JCBE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867843753 BPZLCWLFNRBVKM-AWEZNQCLSA-N 481.462 0.896 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1867847344 SEPMJSSVPUBGRV-GXTWGEPZSA-N 472.476 0.233 5 10 JCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]o1 1869783681 TWCCCRIXJGAWOD-NHYWBVRUSA-N 460.403 0.969 5 10 JCBE O=C(N=c1nc(N2CCC(O)CC2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870062936 XUUONJYNBUZRKJ-CQSZACIVSA-N 450.477 0.181 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870066510 JJNDVSOWQBSLRL-HNNXBMFYSA-N 491.530 0.429 5 10 JCBE COCCNC(=O)COc1cn(CCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870968984 CZTBBYHJRUBJHC-UHFFFAOYSA-N 450.448 0.511 5 10 JCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)ccc1[N+](=O)[O-] 1858648739 LRHTUVDWPJHKQY-UHFFFAOYSA-N 493.498 0.657 5 10 JCBE CS(=O)(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2[N+](=O)[O-])CC1 1860832448 KZLMOJHFPGMIRU-UHFFFAOYSA-N 454.505 0.656 5 10 JCBE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1866025010 NVYXRZUEALWDRW-JTQLQIEISA-N 455.383 0.516 5 10 JCBE COc1cccc(-c2nnc(CNC(=O)[C@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1 1867833200 JRPOROPPXQGVLJ-INIZCTEOSA-N 486.397 0.969 5 10 JCBE O=C(CCN1CCCC1)N1CCN(C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1868123082 JAOLLQQSZPMQMM-UHFFFAOYSA-N 457.487 0.738 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2[N+](=O)[O-])CC1 1651430168 PKPNQSOZMUGFRI-SJORKVTESA-N 450.517 0.770 5 10 JCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCc2cn3ccsc3n2)c([N+](=O)[O-])cc1OC 1867806471 KPRPAQBBXSHLBC-ZDUSSCGKSA-N 463.472 0.771 5 10 JCBE COc1cccc([C@@H](O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1867821194 KJYMPDLPBRJSOJ-WMZOPIPTSA-N 462.415 0.761 5 10 JCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870696630 LOAWTRWVWAMVQI-CQSZACIVSA-N 464.475 0.588 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CC)CCO)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620572 KIZOIVVRWNFKIQ-UHFFFAOYSA-N 490.546 0.856 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705406 HUTLEEDFKVUDHN-UHFFFAOYSA-N 460.539 0.948 5 10 JCBE CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707534 WNIGHOVRCLXZTL-UHFFFAOYSA-N 452.479 0.924 5 10 JCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)NC(=O)N=c2nn[nH][nH]2)cc1 2325748632 MLQBNXKMOFDUEF-UHFFFAOYSA-N 472.443 0.370 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCOc1ccccc1)=C(N)O2 1865717923 DDZKXLZYPZJSHE-QGZVFWFLSA-N 493.476 0.882 5 10 JCBE CC1(C)S[C@H]2[C@H](NC(=O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2[C@H]1C(=O)O 1866026756 ZSFGTDJXHGPBMR-GLJUWKHASA-N 476.467 0.603 5 10 JCBE Cc1cc(N2CCOCC2)nc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 585196080 NLVAMEOEWYYFGU-UHFFFAOYSA-N 481.491 1.137 5 10 JCBE O=C(CCc1nnc(=NC(=O)c2ccncc2)[nH]c1O)NCCNc1ccccc1[N+](=O)[O-] 1859309433 UFOMFMWKKPOYNH-UHFFFAOYSA-N 452.431 0.716 5 10 JCBE CCN(CCO)c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870051185 CVUDWMXNKCIKMJ-CQSZACIVSA-N 452.493 0.546 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645842 PWRKFPZTXUYXSZ-UHFFFAOYSA-N 459.555 0.154 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cncc(N3CCCC3=O)n2)CC1 1891952335 IAPLQAFAAMYEME-UHFFFAOYSA-N 479.453 0.456 5 10 JCBE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(=O)N(C)C)C[C@H]2C)CC1 1690863509 FYHCHAMMTCQETJ-OXQOHEQNSA-N 484.561 0.930 5 10 JCBE O=C(COc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC[C@H]1CCCO1 1872685494 BFSNUQKOZGUPOX-MRXNPFEDSA-N 460.447 0.614 5 10 JCBE O=C1CC[C@@H](N2Cc3c(NC(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cccc3C2=O)C(=O)N1 1859474720 OURWQWNCVAULEH-MRXNPFEDSA-N 491.416 0.591 5 10 JCBE O=C(N[C@H](CO)C(=O)NCCCc1ncc2ccccn12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834090 QKXBSFTYYOTMGO-QGZVFWFLSA-N 456.415 0.990 5 10 JCBE CCN1CCN(c2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870044610 RJABMTXTUOYJDB-MRXNPFEDSA-N 477.547 0.869 5 10 JCBE COCCNC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870969730 WHOPXZNDEZWJIW-UHFFFAOYSA-N 491.501 0.655 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619774 TVDMOMPSZLTAEG-UHFFFAOYSA-N 458.523 0.510 5 10 JCBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCc3ccccn3)[nH]2)cc1[N+](=O)[O-] 1871621770 VTXLRCYYOJEVNJ-UHFFFAOYSA-N 454.491 0.728 5 10 JCBE NS(=O)(=O)c1ccc(CNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCO)C2=O)cc1 1863593065 JYQLMGWXGQBYDE-UHFFFAOYSA-N 460.468 0.494 5 10 JCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 1869783270 KJMIKKYRWKWNBL-LLVKDONJSA-N 477.455 0.854 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCCO)[nH]2)cccc1[N+](=O)[O-] 1871646177 ZNMBBAASKYUSQV-UHFFFAOYSA-N 460.539 0.364 5 10 JCBE COCCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708400 ZUUAGMBRYFHBNA-UHFFFAOYSA-N 451.484 0.533 5 10 JCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc3nncn3n2)CC1 1873778990 CDZWCXJKAPDGKZ-UHFFFAOYSA-N 450.415 0.367 5 10 JCBE CC(=O)NCc1nnc2sc(CCNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1874776547 LSQMEBBPPYNXAL-UHFFFAOYSA-N 474.503 0.539 5 10 JCBE Cn1c(CNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867772405 XTCXUJZIADZSAG-HNNXBMFYSA-N 459.846 0.902 5 10 JCBE Cc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867871626 SBVUGRLVRNOPCR-DZGCQCFKSA-N 484.556 0.881 5 10 JCBE Cc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] 1867871628 SBVUGRLVRNOPCR-UKRRQHHQSA-N 484.556 0.881 5 10 JCBE C[N+](C)(C)CCO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1CC[C@@H](n2ccc(N)nc2=O)O1 17176251 NZCQWOIOZLKJHJ-AAEUAGOBSA-O 457.337 0.460 5 10 JCBE O=C([C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCOCC1 1892269853 PMLHPTNBGDZFRK-RTBURBONSA-N 496.542 0.224 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccco1)=C(N)O2 1865717102 OXTJSWDJSHUUCT-AWEZNQCLSA-N 453.411 0.596 5 10 JCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(CC(C)=O)CC1 1869752905 FXQHWDDAMMWVQP-GOSISDBHSA-N 461.519 0.673 5 10 JCBE Cc1c(C(=O)N[C@@H](C)C(=O)N2CCN(c3nnc(C)n3C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869774977 NWLUBCZEZFRVHW-LBPRGKRZSA-N 460.451 0.715 5 10 JCBE CCN(CC)CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576219 KBHWQNRIYNDQHW-UHFFFAOYSA-N 494.000 0.889 5 10 JCBE COCCN(CCOC)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577921 HUBFVCXRMUOZQM-UHFFFAOYSA-N 482.929 0.668 5 10 JCBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 1890704869 BTELEZVWUGIFKK-UHFFFAOYSA-N 464.504 0.741 5 10 JCBE CC(=O)OC[C@@H]1O[C@H](Oc2ccc(CO)cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1857790466 SUGKFMFBWQNBMQ-ZPAWYTMASA-N 499.425 0.549 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865717899 FHXHEXQQKSTBAF-OAHLLOKOSA-N 473.486 0.618 5 10 JCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807519 ZXMCCYKJQHDDDP-GOEBONIOSA-N 488.453 0.844 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870697048 VODRKZOCHRIACL-UHFFFAOYSA-N 491.501 0.343 5 10 JCBE CCOC(=O)N1CCC(NC(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)CC1 1860906346 UFOMMPGRDDPUEJ-UHFFFAOYSA-N 487.473 0.829 5 10 JCBE Cc1nnc2sc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nn12 1867784861 QGUOXXVUUDBJSS-CQSZACIVSA-N 488.530 0.452 5 10 JCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCS(=O)(=O)Nc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822388 WGIKQEKMJBVNRQ-MRXNPFEDSA-N 495.470 0.460 5 10 JCBE COc1cc(C(=O)Nc2nc(N3CCOCC3)nn2[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869953122 YCDUIKGCMUAHEL-LBPRGKRZSA-N 496.502 0.652 5 10 JCBE COCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870667247 VZNHCOGUHVYLDQ-UHFFFAOYSA-N 459.503 0.979 5 10 JCBE COc1ccc(N=c2[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708663 WEVQPCOERMRMSA-STQMWFEESA-N 460.495 0.537 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NC[C@H]1CCCO1)=C(N)O2 1865717126 PMJQXXPWPPXKEH-BXUZGUMPSA-N 491.888 0.635 5 10 JCBE C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869835037 LTMPDRLPLXUHPE-OAHLLOKOSA-N 481.937 0.760 5 10 JCBE COc1ccc(NC(=O)COc2cn(CCOCCO)c(CN(C)C)cc2=O)c([N+](=O)[O-])c1 1870697311 ZRHRHDIYOWXJNS-UHFFFAOYSA-N 464.475 0.853 5 10 JCBE COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21 40375708 VPCCFQLGVSQRFU-GFCCVEGCSA-N 485.457 0.453 5 10 JCBE NC(=O)C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COc2ccccc2O1 1861123627 KIRAEVTUVKLQTC-LJFOUZCWSA-N 454.439 0.924 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1cccnc1)=C(N)O2 1865716939 LRPRPGLLLMUEDT-OAHLLOKOSA-N 480.437 0.104 5 10 JCBE Cn1c(CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867785969 XBTHAOTXEWMXAS-SFHVURJKSA-N 494.508 0.849 5 10 JCBE CN(CCO)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C(C)(C)C)n1 1870026709 NLUREPDKAWGOMH-UHFFFAOYSA-N 459.463 0.995 5 10 JCBE CCN1CCN(c2nc(NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870042883 CRDUANKNVDSXIK-UHFFFAOYSA-N 470.490 0.880 5 10 JCBE NC(=O)C1CCN(c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870067418 NWFWCXNVBIBXMB-HNNXBMFYSA-N 477.503 0.500 5 10 JCBE COc1ccc(CCN=c2nc(N(CCO)CCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1OC 1871518814 WIKCECAXXAPLGT-UHFFFAOYSA-N 499.528 0.830 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1861806141 GXBIVSPZPMJYIU-LLVKDONJSA-N 465.444 0.894 5 10 JCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1ccc(O)c([N+](=O)[O-])c1 1865621969 VJDATPFRNHINBA-SFHVURJKSA-N 472.502 0.656 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619969 XPXJBVKRSFEHRV-UHFFFAOYSA-N 472.550 0.900 5 10 JCBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCN2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793621 KRPNBCHEZYNKLI-MAUKXSAKSA-N 465.463 0.225 5 10 JCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCO)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892883 SLRJEQRPOADKOX-LBPRGKRZSA-N 485.375 0.921 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCN(C(C)=O)CC1)=C(N)O2 1865624177 SRZYWSYTGOMJNC-QGZVFWFLSA-N 470.486 0.982 5 10 JCBE COCCN(CCOC)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520116 IOQHABVGCBFOEG-UHFFFAOYSA-N 490.565 0.601 5 10 JCBE CCN(CCO)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705820 JWAVSCYXSMTFPR-UHFFFAOYSA-N 474.522 0.619 5 10 JCBE COc1ccc(NC(=O)COc2nonc2C(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])c1 1872703470 KVEGOVLZSVSIIH-UHFFFAOYSA-N 462.419 0.746 5 10 JCBE CC(=O)N1CCN(C(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1 1860866468 GGVDQAKKRFMAQZ-FQEVSTJZSA-N 459.503 0.727 5 10 JCBE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865719217 VAVPTJLDBNZBNF-OAHLLOKOSA-N 489.485 0.324 5 10 JCBE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)C1 1865736574 NAOXOSBBDRENFV-HSMVNMDESA-N 485.497 0.897 5 10 JCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821847 PVIMUWLMUCOUJQ-INIZCTEOSA-N 480.455 0.492 5 10 JCBE COc1ccc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870060382 QIEXKTZJBJIRIO-CYBMUJFWSA-N 480.503 0.768 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCCCO)[nH]2)cc1[N+](=O)[O-] 1871706057 XLZLEIRYGJXYJW-UHFFFAOYSA-N 474.522 0.619 5 10 JCBE CSCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1C(=O)CSC1=O 1872631844 BLYDOVOANFGSFS-CYBMUJFWSA-N 476.558 0.806 5 10 JCBE CN1CCN(S(=O)(=O)c2ccc(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])cc2)CC1 170542902 RWNOANDNNYWWMS-UHFFFAOYSA-N 469.545 0.790 5 10 JCBE CN1CCN(c2ccc(C(=O)N[C@@H]3C(=O)N4[C@H]3SC(C)(C)[C@@H]4C(=O)O)cc2[N+](=O)[O-])CC1 1866055903 OWNCFHXYLJSUOU-VKJFTORMSA-N 463.516 0.592 5 10 JCBE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCO)=C(N)O2 1864947068 PMWQKMDPGCUGQE-KRWDZBQOSA-N 452.427 0.993 5 10 JCBE COc1ccc(C(=O)Nc2nc(N(C)CCO)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870029186 HDPFZSLCUBKRHB-GFCCVEGCSA-N 454.465 0.235 5 10 JCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858657762 HGOMWVATJNPVLV-UHFFFAOYSA-N 450.429 0.940 5 10 JCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864896171 ZIERYWGCWXHHPG-QGZVFWFLSA-N 486.485 0.609 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCOCC1)=C(N)O2 1865726189 UEZWPELGNNRXTG-ZDUSSCGKSA-N 477.861 0.199 5 10 JCBE Cn1c(CNC(=O)[C@H](CO)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 1867884360 VAMJIHQAILTWQV-HNNXBMFYSA-N 459.846 0.902 5 10 JCBE CCN(CCO)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n([C@H]2CCS(=O)(=O)C2)n1 1870051594 KHGZQZHQUZSUBU-LBPRGKRZSA-N 497.490 0.833 5 10 JCBE CN(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc(N2CCOCC2)n1 1891216388 FYVMMEYLSFRAAW-UHFFFAOYSA-N 457.900 0.814 5 10 JCBE N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1CCCn1ccnc1 100848257 YVTRHIAAOKPAIE-UHFFFAOYSA-N 476.541 0.477 5 10 JCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H]2CN(Cc3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867796045 QYNMMWJFJGUKDP-ZWKOTPCHSA-N 485.497 0.889 5 10 JCBE CC(=O)CN1CCN(C(=O)[C@@H](NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(C)C)CC1 1869752833 CDARRXLXRXFCAW-NRFANRHFSA-N 475.546 0.919 5 10 JCBE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cc([N+](=O)[O-])c(=O)n(C)c5)CC4)ncnc32)c1 1891798994 JUOQWDNMLJRTLK-UHFFFAOYSA-N 491.468 0.788 5 10 JCBE Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1890951624 YRDNUQWDOXABKE-UHFFFAOYSA-N 453.459 0.988 5 10 JCBE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1 1891350758 SJKBDSPJSAFDDE-UHFFFAOYSA-N 495.496 0.475 5 10 JCBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1861338596 UNPHGCOSYVYTOJ-LBPRGKRZSA-N 450.473 0.728 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619847 WSBIZPKRKZSTSH-UHFFFAOYSA-N 472.550 0.635 5 10 JCBE O=C(CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1O)NCCCN1CCCC1=O 1859134990 YQIJLDAKQWIYOQ-UHFFFAOYSA-N 457.447 0.799 5 10 JCBE NS(=O)(=O)c1ccc2c(c1)CN(C(=O)CCN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 1868123269 LJZSGCSDGPFOOC-UHFFFAOYSA-N 458.452 0.813 5 10 JCBE CCN(CC)CCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520003 AYXVYZPZCJIHOM-UHFFFAOYSA-N 473.582 0.625 5 10 JCBE CCN(CC)CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646326 YQTUSJLUZBPVQD-UHFFFAOYSA-N 462.555 0.610 5 10 JCBE O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1872945808 CFWMVAZJRLRJEA-CRAIPNDOSA-N 478.527 0.808 5 10 JCBE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 1858002598 PFSPQHGZPCXXSH-HXUWFJFHSA-N 479.511 0.784 5 10 JCBE CC1(C)S[C@@H]2[C@H](NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2[C@H]1C(=O)O 1859456016 IOTZYKWCTJAOCT-IIYDPXPESA-N 462.440 0.213 5 10 JCBE CCN1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871644013 MFLPTESDANADAZ-UHFFFAOYSA-N 471.566 0.562 5 10 JCBE Cc1nnc2sc(CCNC(=O)CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 1867783138 XYBQBDVWXLTBPG-UHFFFAOYSA-N 474.503 0.328 5 10 JCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H]2CN(Cc3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 1867796042 QYNMMWJFJGUKDP-MSOLQXFVSA-N 485.497 0.889 5 10 JCBE CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869442571 AHNKXRXTABAOOY-QHCPKHFHSA-N 475.546 0.886 5 10 JCBE COCCN1[C@H](C)CN(C(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C[C@H]1C 1869750321 ZGLDOGHECMKIQT-IAGOWNOFSA-N 463.535 0.729 5 10 JCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NC[C@H]3CCCO3)[nH]2)cc1[N+](=O)[O-] 1871619910 KHEVYYYUFBHISM-GOSISDBHSA-N 472.550 0.635 5 10 JCBE CCOC(=O)N1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645420 OHTVJDVQBSVOMW-UHFFFAOYSA-N 487.521 0.502 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1873678431 KUAFXWIQWDTKAS-HUUCEWRRSA-N 493.476 0.505 5 10 JCBE Cc1cncc([N+](=O)[O-])c1-n1nc(S(C)(=O)=O)c(C(N)=O)c1I 2080367326 FGHYGYZNJDASLR-UHFFFAOYSA-N 451.202 0.591 5 10 JCBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCN2CCCC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793912 MJCZYWYGQABCKZ-PBHICJAKSA-N 463.447 0.516 5 10 JCBE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NCCC(=O)NCC(=O)OC 1867817638 ZTOSMWQTDKRYBS-HNNXBMFYSA-N 481.462 0.896 5 10 JCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869783940 XHQDMDQUVMRKAK-UHFFFAOYSA-N 462.463 0.390 5 10 JCBE COc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871706525 GUYWZBFIPKJWSX-UHFFFAOYSA-N 455.479 0.715 5 10 JCBE Cn1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc([N+](=O)[O-])c1=O 1891759093 XWTNIVLZTWBNQP-UHFFFAOYSA-N 479.432 0.919 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N2CCOCC2)C1 1892243544 QWIGAAUHUCHBCX-APWZRJJASA-N 480.543 0.845 5 10 JCBE COC(=O)[C@@H]1O[C@@H](Oc2ccc(C=O)cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575232562 MHAQOFAFDHVKQE-WRMBXCAGSA-N 483.382 0.479 5 10 JCBE CC(=O)NCCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716562 SDQGVXZKQOWJBY-UHFFFAOYSA-N 493.528 0.947 5 10 JCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C2CC2)CC1 1869755214 WAFDWNHZYGBFCT-OAHLLOKOSA-N 459.503 0.631 5 10 JCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CC(O)C3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870003312 HZJQOIREXISNRR-NSHDSACASA-N 481.447 0.196 5 10 JCBE O=C(Nc1nc(N2CCC(O)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870062897 WHGFCCXIZLEXQR-AWEZNQCLSA-N 450.477 0.759 5 10 JCBE Cc1nnc2ccc(N3CC(N(C)C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)C3)nn12 1891597169 RJEHIROYDKJMSP-UHFFFAOYSA-N 450.415 0.284 5 10 JCBE CC(=O)N1CCN(C(=O)Cn2c(=O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc32)CC1 96317829 MYBWDNLLHBOCJC-UHFFFAOYSA-N 451.439 0.751 5 10 JCBE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N=c3nc[nH][nH]3)cc2)cccc1[N+](=O)[O-] 1858999156 MRXFAYNXNPTDMO-UHFFFAOYSA-N 473.471 0.926 5 10 JCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867357431 HSWSJFIFCWJHJL-SFHVURJKSA-N 474.445 0.871 5 10 JCBE Cc1c(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871645113 LCZZNATVNMVSKW-UHFFFAOYSA-N 451.491 0.801 5 10 JCBE CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 10128978 GNNNAHJIFVUHPF-CYBMUJFWSA-N 453.433 0.660 5 10 JCBE CC(=O)N1CCN(c2ccc(C(=O)NCC3(OCCO)CCOCC3)cc2[N+](=O)[O-])CC1 1567949038 AUDUJKLOSFZMPI-UHFFFAOYSA-N 450.492 0.551 5 10 JCBE CN(C[C@@H](O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1868046430 WKUKJPHKTJVQIJ-HNNXBMFYSA-N 484.556 0.904 5 10 JCBE CN(C)[C@H](CN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1)c1ccc(O)cc1 1871521810 VSIQAPRQLPCWMP-HXUWFJFHSA-N 498.544 0.579 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 1890564551 IFHOSVCDRCPHIX-UHFFFAOYSA-N 465.470 0.930 5 10 JCBE COc1ccc(C(=O)NCCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OC 216863916 KHABLRJEKFXGOA-UHFFFAOYSA-N 456.411 0.754 5 10 JCBE C[C@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863594559 XSFFEJGPCYRMNE-ZDUSSCGKSA-N 474.495 0.535 5 10 JCBE CCCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCO)=C(N)O2 1864893172 XQBNLRKBWRGCLM-INIZCTEOSA-N 459.459 0.855 5 10 JCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCC3(CC1)OCCO3)=C(N)O2 1865734935 UHMVNJSSNSGLSQ-HNNXBMFYSA-N 499.480 0.052 5 10 JCBE O=C(COc1cn(CCOCCO)c(CN2CCC(O)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398566 RZWDGZFJIZROIX-UHFFFAOYSA-N 490.513 0.740 5 10 JCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 1892049067 YSMOYMQMSQNJQL-UHFFFAOYSA-N 450.473 0.511 5 10 JCBE O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC[C@@H]1CCCO1 14005567 ZMRTVEMYMPPTHZ-LSDHHAIUSA-N 495.470 0.430 5 10 JCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858646717 FICNOFBNVIHLGJ-UHFFFAOYSA-N 463.472 0.649 5 10 JCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1867832272 AXIQEBTZNXFIKR-QGZVFWFLSA-N 466.495 0.126 5 10 JCBE Cc1ccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867846914 QENCVYIGJDUJPG-HNNXBMFYSA-N 460.399 0.932 5 10 JCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(CN2C(=O)CCC2=O)C1 1892350352 YBLFRYHZEVDXTP-KRWDZBQOSA-N 464.500 0.745 5 10 JCBE