smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575231404 FPUPORSBEXGRKK-SEGNAXJPSA-N 757.651 0.593 5 10 KCBE Cc1c([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCn4cnc5c4c(=O)n(C)c(=O)n5C)C(=O)[C@@H]32)c(=O)n(-c2ccccc2)n1C 1088595252 QEINPPIBAKSQIV-IFGDVQFWSA-N 711.692 0.152 5 10 KCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793852 ZHWZIQZPQTYINS-GOSISDBHSA-N 521.552 0.080 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867804799 SQFDZMQNBQZDJN-ZDUSSCGKSA-N 500.530 0.259 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943050 LUPASQYNHDSUQN-SFHVURJKSA-N 503.556 0.643 5 10 KCBE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 85574321 VYLJFJGMPYBPMN-FCHUYYIVSA-N 602.674 0.559 5 10 KCBE O=C(O)c1cc(O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cccc34)c2c1 675082847 QFJIQUOMKJNYLI-AJTPBDGMSA-N 862.746 0.543 5 10 KCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867795718 ORCKZKHDWISBTF-AEFFLSMTSA-N 558.013 0.203 5 10 KCBE CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869783660 SSZWCWMHODEKIP-OAQYLSRUSA-N 520.543 0.651 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C1 1865737662 XJWJXFZJKNKGET-HOCLYGCPSA-N 513.507 0.489 5 10 KCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865738948 ZKBUIKRDPDECSM-INIZCTEOSA-N 518.958 0.894 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871706056 XKPYDOUJYOSGPI-UHFFFAOYSA-N 511.543 0.518 5 10 KCBE O=C(O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)CNC(=O)OCc1ccc([N+](=O)[O-])cc1 71788496 UMIBWYOMIVLBBJ-ZDUSSCGKSA-N 577.488 0.743 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867796202 DFCOAURDQGNFMN-SFHVURJKSA-N 515.523 0.503 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832327 BDZVPWKJUCCAEQ-ZWKOTPCHSA-N 505.415 0.870 5 10 KCBE NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861027621 DUTFTUCRNDYCBZ-INIZCTEOSA-N 511.944 0.618 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867830944 QVMDXFYMOVYHNQ-SFHVURJKSA-N 517.451 0.345 5 10 KCBE CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 34110130 XHTORJWGZKCDGL-FZDIXFNVSA-N 504.592 0.646 5 10 KCBE CN(C)c1nc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1869964478 NPCAUXRHWUWOFP-CYBMUJFWSA-N 505.513 0.627 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887460 NXIHRDNJQWUSLK-CTZQYXLCSA-N 682.687 0.971 5 10 KCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865723649 SMIHRWMIRXLBBQ-HNNXBMFYSA-N 506.947 0.798 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2037545231 FPUPORSBEXGRKK-YDVVAPMCSA-N 757.651 0.593 5 10 KCBE CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 642886967 SVDPRCWUGMJJJZ-NCWFFXIRSA-N 928.018 0.591 5 10 KCBE CSCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869759748 WEPPTGVZILKADE-HXUWFJFHSA-N 550.682 0.905 5 10 KCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 1858975634 AOLPOBAWKLOUHO-UHFFFAOYSA-N 504.569 0.647 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)OC1=O 1867796040 QWMJLXCYCCKTOH-ROUUACIJSA-N 515.523 0.897 5 10 KCBE CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 504249955 YXEIIOVAGGAMCZ-UCXISSAOSA-N 634.643 0.384 5 10 KCBE CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O 1073349394 HLOQKQUWJHEVPU-OWTZIAOLSA-N 977.094 0.597 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(CCCN(C)C)C3=O)cc1[N+](=O)[O-] 1866611545 ZTXBXCDTPRZECB-GOSISDBHSA-N 513.507 0.881 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867799456 DOKNLLPSJLJKBV-NFBKMPQASA-N 515.567 0.950 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867836459 MQQQXZJHSBRYMU-OAHLLOKOSA-N 543.942 0.992 5 10 KCBE COCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858983419 ACRCVJLXDOYCQJ-UHFFFAOYSA-N 506.541 0.515 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865723078 HDJKSMFRUPQMTC-GOSISDBHSA-N 517.502 0.922 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867772434 YDDILZFKOZDLNK-RHSMWYFYSA-N 549.389 0.790 5 10 KCBE CCN(CC)CCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705493 MBEITCVBCULANU-UHFFFAOYSA-N 503.608 0.634 5 10 KCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867830951 QWZKESHRNCVNFQ-NHYWBVRUSA-N 515.526 0.481 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCN(C)CC2)cc1 1867805417 CQNLSBKENWYSNC-UNMCSNQZSA-N 545.593 0.816 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1867807421 YHTHMVOIOBNARZ-MRXNPFEDSA-N 510.525 0.099 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721662 YQVZDUCYAVKYDU-KRWDZBQOSA-N 514.539 0.385 5 10 KCBE CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 253612380 LXUSBVSVBLRAJQ-VDEIZATRSA-N 756.667 0.166 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732087 FMCHGVHKTSSKIX-SFHVURJKSA-N 523.502 0.414 5 10 KCBE 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=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H]1C)O2 1777001638 APKFDSVGJQXUKY-WKVIXUPYSA-N 924.091 0.712 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2=O)cc1OC 1867832854 HIZGTZQHKVMGEM-OXQOHEQNSA-N 559.532 0.818 5 10 KCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870398608 UTEDXDWWRKEBSK-UHFFFAOYSA-N 514.539 0.574 5 10 KCBE CCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865731490 RLOPNOGPPLYBMY-HNNXBMFYSA-N 504.931 0.504 5 10 KCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870015920 REUXUQXZQOGDEW-PXPSOEEZSA-N 505.557 0.312 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1[N+](=O)[O-] 1872948691 LUTNUHKDUFIJCJ-DOTOQJQBSA-N 508.553 0.816 5 10 KCBE CCOC(=O)[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 1865736998 REBXVCOLMVFEMU-BBRMVZONSA-N 529.506 0.194 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869972097 ZMNRPBDTHBBBJD-CYBMUJFWSA-N 517.524 0.771 5 10 KCBE CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2Nc2ccccc2)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 575231860 VMLZOUYCHMQKBP-APGCWEHLSA-N 705.670 0.574 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)OC1=O 1867796041 QWMJLXCYCCKTOH-ZWKOTPCHSA-N 515.523 0.897 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867806066 HHMVLBBOWPQHDH-HKUYNNGSSA-N 546.533 0.621 5 10 KCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869769641 IVOOIDFKJZKQGA-GOSISDBHSA-N 521.571 0.514 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccc(Cl)cc1 1869955932 ZFSBMDVLVXFHCP-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE CC(=O)N1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871644399 ZOOXPLCFZIQCNA-UHFFFAOYSA-N 515.556 0.451 5 10 KCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(CCn4cnc5c4c(=O)n(C)c(=O)n5C)C(=O)[C@H]23)cc1 247812547 DIDDTZLZLPTVEB-ZJCOUVBBSA-N 659.612 0.140 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1615168300 NVTQIDGQWGPKMN-OMZCGLGVSA-N 527.508 0.964 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867828141 IPAXXLYAAUOUJW-SFHVURJKSA-N 501.452 0.640 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 1867912063 PIEAZPOPWJDBMW-KSSFIOAISA-N 549.389 0.790 5 10 KCBE COc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1868135323 VRRIKXPTOOBEJJ-MRXNPFEDSA-N 511.534 0.933 5 10 KCBE CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1OC(C)=O 32107160 QCMWTVCSCZCYCM-IVDHNXQLSA-N 513.412 0.998 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869759068 GCSCHPZDTFPZQZ-LJQANCHMSA-N 504.588 0.562 5 10 KCBE O=C(COc1cn(CCN2CCOCC2)c(CN2CCOCC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397841 VUXNOAPYFWBCIZ-UHFFFAOYSA-N 501.540 0.938 5 10 KCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870398235 NKCZYIJPYWELON-UHFFFAOYSA-N 514.539 0.607 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620545 JMPAGQJLOFFLEP-UHFFFAOYSA-N 502.557 0.998 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493203 DHMBGXFVGCHGGL-DHGXUQQISA-N 953.865 0.955 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575231401 FPUPORSBEXGRKK-IITCNRMYSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865718908 POVRDMYCRVBEQG-KRWDZBQOSA-N 509.475 0.588 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790792 AFVGZSCDGMMQEO-FQEVSTJZSA-N 511.535 0.223 5 10 KCBE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869440670 SQPPAXBQXIOEKS-FQEVSTJZSA-N 507.613 0.839 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621587 SCJQBDJSMFFNGP-UHFFFAOYSA-N 510.559 0.467 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 96031511 DKPBYCZUIMBUTO-UHZRXMQZSA-N 514.396 0.965 5 10 KCBE in-vitro CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 207017403 VDLBZWADSKZDJS-CQJMVLFOSA-N 657.794 0.562 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724175 IAISREIITUWEGC-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE CCOC(=O)[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 1865737000 REBXVCOLMVFEMU-CJNGLKHVSA-N 529.506 0.194 5 10 KCBE CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869759067 GCSCHPZDTFPZQZ-IBGZPJMESA-N 504.588 0.562 5 10 KCBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861130630 YBBNREBYBIIPCF-NUCSPZLJSA-N 503.537 0.365 5 10 KCBE O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 96457222 OPIBDBOQBBDTIV-LADGPHEKSA-N 514.627 0.719 5 10 KCBE CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@H]2C1 253376522 UEQPZERYXCGKJV-FYYLOGMGSA-N 502.616 0.621 5 10 KCBE O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868633335 QTURIKBOIYPFPR-NRFANRHFSA-N 550.615 0.634 5 10 KCBE O=[N+]([O-])c1ccc(N2CCN(c3nc(=NCCc4cnc[nH]4)[nH]c(=NCCc4cnc[nH]4)[nH]3)CC2)cc1 1871468697 HTKVBNWZELASKT-UHFFFAOYSA-N 504.559 0.706 5 10 KCBE 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=CC=CC=CC=C/C=C\C=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2 2055448797 APKFDSVGJQXUKY-ORZZGMGGSA-N 924.091 0.712 5 10 KCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 1867795416 JHNRHWWCGCXCNG-SFHVURJKSA-N 507.569 0.872 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836076 FFSCXNNLUDNWLO-HNNXBMFYSA-N 509.497 0.339 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865721072 IVUNDKALQIPJPE-KRWDZBQOSA-N 500.556 0.925 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 102212902 DKPBYCZUIMBUTO-CENDIDJXSA-N 514.396 0.965 5 10 KCBE in-vitro Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1cccs1)=C(N)O2 1865716681 GJWMCVRJCPVQJN-MRXNPFEDSA-N 527.515 0.836 5 10 KCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 1867786267 ZCTUPODVLKWVFM-LJQANCHMSA-N 519.580 0.682 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 1867807285 WAOMDGLPUBJNIG-GYCJOSAFSA-N 519.507 0.670 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCN3CCOCC3)c(CN3CC(O)C3)cc2=O)c([N+](=O)[O-])c1 1870697189 XKAWHWWAIIAXBR-UHFFFAOYSA-N 517.539 0.291 5 10 KCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)N2CCSCC2)C1 1892260808 QTYBAXXPKDYRDA-RBUKOAKNSA-N 512.610 0.941 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 247865114 XHNMNLUMJHINIG-DPWQTKBMSA-N 670.577 0.038 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867884631 YXHKHPMFRCATHD-TZMCWYRMSA-N 520.973 0.198 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706447 CXKGXRABXGTBAE-UHFFFAOYSA-N 515.575 0.179 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575231402 FPUPORSBEXGRKK-KGALSPLFSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865723720 CKJWASQGGIBIFH-KRWDZBQOSA-N 519.474 0.585 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867791727 GPOPFHQGWKFOTB-JYFHCDHNSA-N 570.647 0.636 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867801391 LOLNHDMSYXGJSF-QGZVFWFLSA-N 532.506 0.454 5 10 KCBE CCOCCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(CCO)CCO 1870696298 ALPNCPUJMNABHE-UHFFFAOYSA-N 522.555 0.996 5 10 KCBE CCN(CC)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865723651 SMIHRWMIRXLBBQ-OAHLLOKOSA-N 506.947 0.798 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867770884 GZEWIDZNXXTSKD-OCCSQVGLSA-N 520.973 0.198 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788750 LNEIXMUCGKCDMK-FQEVSTJZSA-N 541.561 0.568 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 1867807284 WAOMDGLPUBJNIG-FYSMJZIKSA-N 519.507 0.670 5 10 KCBE C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](N)[C@H]1O 1082196238 YPGDXONAFDJWNU-ZZLJYWRPSA-N 926.107 0.958 5 10 KCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 1858648736 LHCXZZFUONEXRJ-UHFFFAOYSA-N 506.541 0.684 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865733060 UCNPQPUOSKQPOQ-QGZVFWFLSA-N 515.523 0.879 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867884629 YXHKHPMFRCATHD-JSGCOSHPSA-N 520.973 0.198 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCc3cnc[nH]3)[nH]2)cc1[N+](=O)[O-] 1871707496 UVQSNNLYLWVLSL-UHFFFAOYSA-N 518.542 0.870 5 10 KCBE O=C([C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 1892411496 INVIVKUZBKYDQU-LJQANCHMSA-N 515.614 0.623 5 10 KCBE O=C(Nc1nc(N2CCC(CO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869979871 CCYNUWSTBUIVPJ-AWEZNQCLSA-N 509.501 0.915 5 10 KCBE CSCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605633 BCILAFLUFSRVQX-QGZVFWFLSA-N 502.596 0.959 5 10 KCBE C[C@H](O[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@@H](O)[C@H]1O)c1ccccc1[N+](=O)[O-] 306146752 NYWDUFBXCCSYMK-OBLLBARMSA-N 672.330 0.770 5 10 KCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 1858974756 BLBQPYDZUUOSQV-UHFFFAOYSA-N 535.539 0.626 5 10 KCBE Cc1c(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817946 OYSRCUVNKFHHAU-JSGCOSHPSA-N 529.553 0.789 5 10 KCBE CC(C)(C)n1nc(N(CCO)CCO)nc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869954904 VHQDIXMLRHLVMC-UHFFFAOYSA-N 503.516 0.747 5 10 KCBE C[C@H](NC(=O)[C@H](N)CC1CCCCC1)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 585672294 SIBMYCODGSFHPH-BEVDRBHNSA-N 518.619 0.847 5 10 KCBE CN(C)CCNC(=O)CN1CCN(C(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1873788329 KNWBCWOWLCBSAO-UHFFFAOYSA-N 502.572 0.573 5 10 KCBE C[C@@H]1O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)CC[C@H](O)[C@@H](O)C[C@@H](O)C[C@@]3(O)C[C@@H](O)[C@H](C(=O)O)[C@@H](C2)O3)[C@H](O)[C@H](N)[C@@H]1O 1085216827 APKFDSVGJQXUKY-KBDLELPWSA-N 924.091 0.712 5 10 KCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865729528 HMBJJOIODZSCQG-HNNXBMFYSA-N 521.914 0.752 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H]2CN(Cc3ccc(F)cc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867806199 HOOBGEIKJSHAJO-NVXWUHKLSA-N 520.470 0.979 5 10 KCBE C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1872270963 BJYYCUYNDLJKMN-MRXNPFEDSA-N 504.569 0.850 5 10 KCBE CCc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 1866593861 NKLYCPVOKRTGSS-HXUWFJFHSA-N 519.580 0.823 5 10 KCBE CCCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865738951 ZKBUIKRDPDECSM-MRXNPFEDSA-N 518.958 0.894 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867782773 DUNCYICJLKJGDD-MRXNPFEDSA-N 509.585 0.842 5 10 KCBE CN(C[C@@H](O)CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1ccccc1 1868050827 UEDACDSRGRMNJG-INIZCTEOSA-N 504.521 0.769 5 10 KCBE Cn1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870074498 XMWQQGCAQWWMLE-UHFFFAOYSA-N 506.483 0.465 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867832363 BNBPLCYHCSWJNO-YADHBBJMSA-N 530.538 0.707 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCCCC1)=C(N)O2 1865735825 CZMXGZDNCHAWPR-KRWDZBQOSA-N 513.507 0.861 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782394 ZVTHTRNWRJSMQO-INIZCTEOSA-N 505.487 0.915 5 10 KCBE COCCN(CCOC)c1nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870078949 LHRMEZPPKSWJOQ-OAHLLOKOSA-N 512.545 0.906 5 10 KCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 219432251 XAFLGZCJBUOOIP-IONDEXAJSA-N 518.571 0.694 5 10 KCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867793864 ZOTNMSSOIVBYCC-FQEVSTJZSA-N 549.606 0.643 5 10 KCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)[nH]o1 1869748306 JMBZPECMLABTQL-QAPCUYQASA-N 500.512 0.898 5 10 KCBE CC(=O)N1CCN(c2nc(=Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871734764 CAMFQTZFCFVIMB-UHFFFAOYSA-N 503.951 0.936 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 1933281588 YIGQOEKLAXRHSL-FTRWYGJKSA-N 527.534 0.899 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732086 FMCHGVHKTSSKIX-GOSISDBHSA-N 523.502 0.414 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865735133 YYYRFMFPBDZRLZ-GOSISDBHSA-N 519.518 0.431 5 10 KCBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871643116 AEVVRNIRGJEUOP-UHFFFAOYSA-N 515.556 0.485 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 1867361681 WOZQFJFZPBBKGZ-YLJYHZDGSA-N 514.535 0.910 5 10 KCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H](O)c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] 1871705206 CYFPJKIYHJFZJK-SFHVURJKSA-N 519.946 0.966 5 10 KCBE CN(C)c1nc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1 1891636145 CMSGGUYGDZTPSF-GOSISDBHSA-N 534.599 0.542 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612402 NAPXHRWKTGFZTP-HSRUNTJUSA-N 757.651 0.593 5 10 KCBE CSCC[C@@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881244 CEXMOUSUVPZBBZ-GOSISDBHSA-N 501.631 0.811 5 10 KCBE Cc1nnc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)n1C 1869752024 QQZNNIODYLBESP-UHFFFAOYSA-N 500.560 0.726 5 10 KCBE NS(=O)(=O)c1ccc(CN=c2nc(N3CCC(O)CC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871519755 CGHBODQYFXWVOH-UHFFFAOYSA-N 500.541 0.588 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791916 RVFCXFXZQAOGCV-FQEVSTJZSA-N 557.560 0.274 5 10 KCBE CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886983 ZNWNJYFEOLWFHC-YKCBXCCJSA-N 576.607 0.683 5 10 KCBE CCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869761015 CXKSYFLJQBNTJY-FQEVSTJZSA-N 518.615 0.952 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520577 OWJBDIJWWKXUHS-UHFFFAOYSA-N 515.575 0.780 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867783097 HLQFFLVSLWJIMK-IAGOWNOFSA-N 555.635 0.145 5 10 KCBE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865736829 PWHIKISSNQVNMA-FHSNZYRGSA-N 527.534 0.963 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865728494 SZVSWLCITZMJBD-KVISUMCESA-N 523.546 0.887 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 1867791776 HGPJKPBKNQQNCQ-NIYFSFCBSA-N 544.561 0.490 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836888 XNSZNGDRMCGXCR-OCCSQVGLSA-N 529.553 0.789 5 10 KCBE Cc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869955279 KVGVRMXSAHKYIE-UHFFFAOYSA-N 509.479 0.510 5 10 KCBE CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 504249954 YXEIIOVAGGAMCZ-JAEFGONNSA-N 634.643 0.384 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575232216 DQYZTJGYJYAGFK-ISHVJRDRSA-N 735.648 0.746 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865731012 ITQLAPOEKHIWMR-CQSZACIVSA-N 518.914 0.064 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C1 1865736064 HXJTUHSMIJSJBY-ZBFHGGJFSA-N 513.507 0.489 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CSc3nnnn3C)cc2=O)c([N+](=O)[O-])c1 1870195518 UXMJMCWDYQOCDV-UHFFFAOYSA-N 505.513 0.981 5 10 KCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867788181 VQLATIGPMWWXFU-IBGZPJMESA-N 563.633 0.738 5 10 KCBE C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC(=O)CC[C@@H](O)[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=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2 1070081502 IBRQTOKMQLIMRF-RUDRTXMUSA-N 922.075 0.920 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1 1867883596 OEYWPCTZFOAPTD-PBHICJAKSA-N 549.389 0.790 5 10 KCBE O=C(COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O)NC[C@H]1CCCO1 1870546027 JAUFFTKZZZWIRS-JOCHJYFZSA-N 515.567 0.745 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871517766 BFNZWKIOQOODNX-UHFFFAOYSA-N 501.548 0.390 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 1873678452 LKSIBOBEASBVFR-HZPDHXFCSA-N 507.503 0.895 5 10 KCBE CCc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656457 VNTUBCIUUBBODJ-OALUTQOASA-N 539.588 0.847 5 10 KCBE CC(C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869790539 ZWSXQYUCNUSRJY-UHFFFAOYSA-N 506.516 0.405 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732272 IYGHOZDSCWNGHC-GOSISDBHSA-N 507.503 0.708 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867796218 CGFUAQVBGDXALR-PKOBYXMFSA-N 521.596 0.967 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)cc1 1867805993 GDQZYJQAAIFQQS-TZIWHRDSSA-N 532.550 0.901 5 10 KCBE C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868594035 KYOQOZXGXNMGAD-IBGZPJMESA-N 544.634 0.998 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865723265 LXFAQVOUGPJWFQ-SFHVURJKSA-N 517.502 0.922 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C1 1865736725 OLYSDHRRYLBNNS-CZUORRHYSA-N 513.507 0.489 5 10 KCBE CN(C)CCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870589530 ALXOJKJWIUISLY-UHFFFAOYSA-N 506.556 0.940 5 10 KCBE Cc1c(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867818558 TXPHBKQIVCQKOL-HOCLYGCPSA-N 523.524 0.728 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870066537 KILYWJOFVPOZQY-CYBMUJFWSA-N 522.500 0.408 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870067487 OVGVHSXXWIAEKV-LAQIPUCWSA-N 503.541 0.900 5 10 KCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 1858978492 LKZUJHOVTGLKFZ-UHFFFAOYSA-N 520.568 0.726 5 10 KCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCNC(C)=O 1870696621 LIQCYZJOFGUBHT-UHFFFAOYSA-N 505.528 0.733 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619640 RPMYEWCJWHWTRN-UHFFFAOYSA-N 513.603 0.766 5 10 KCBE C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](N)[C@@H]1O 1082196235 YPGDXONAFDJWNU-GVHJLNKESA-N 926.107 0.958 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867830970 RGSCBBIIIGLWOJ-CQSZACIVSA-N 501.499 0.092 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1865715876 LYOIGUSXCYQGOQ-GOSISDBHSA-N 523.502 0.891 5 10 KCBE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721980 HAPDLSSJJPCJAK-INIZCTEOSA-N 503.512 0.715 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 1869754079 ODFHGHQYCCNWML-HNNXBMFYSA-N 517.564 0.782 5 10 KCBE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869789758 LIJDMAFXBNIOBG-DEOSSOPVSA-N 584.586 0.943 5 10 KCBE CC(=O)O[C@@H]1[C@H](O[C@@H]2CO[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 97977663 NEQWPHZHKFBKPE-WGJWZLTPSA-N 613.525 0.730 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867783679 JIFWPDVCNQBOGM-ICSRJNTNSA-N 584.051 0.737 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793639 WCRLLRYAXYTKNB-NZQKXSOJSA-N 571.587 0.441 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869946122 DJCWZMPOQVOOAZ-QWNKOJSDSA-N 503.541 0.866 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 1869972098 ZMNRPBDTHBBBJD-ZDUSSCGKSA-N 517.524 0.771 5 10 KCBE COc1ccc(OCCN=c2nc(N3CCN(CCO)CC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871519804 ZHGCMYNXRPTZPR-UHFFFAOYSA-N 510.555 0.981 5 10 KCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCS(C)(=O)=O)C(=O)[C@H]32)cc1 247525093 MULZCYRVSXIBDZ-PUFAWVJESA-N 559.553 0.738 5 10 KCBE CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255990517 NPMRWZCVKXKVKM-XULKSHFASA-N 590.634 0.929 5 10 KCBE C[C@@H]1[C@@H](C)OC(=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]1O)O2 575231182 APKFDSVGJQXUKY-QYGUEFNLSA-N 924.091 0.712 5 10 KCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867804852 LSVDJMWKNOKFGW-DZGCQCFKSA-N 544.608 0.980 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 1867807287 WAOMDGLPUBJNIG-VOIUYBSRSA-N 519.507 0.670 5 10 KCBE O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1868808490 BLZCZNDFYVCYEO-VWLOTQADSA-N 570.672 0.983 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1870016356 ZQNRTPRSDHQUOY-CQSZACIVSA-N 513.964 0.566 5 10 KCBE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1865713873 KFINHVOUPFLINS-QGZVFWFLSA-N 509.475 0.717 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834658 VMGLNEGXWIEVEZ-OALUTQOASA-N 531.478 0.512 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 1867832283 AXUDXPNENJXTDZ-VGSWGCGISA-N 504.452 0.561 5 10 KCBE CN(CCO)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576103 FTOPOLUDLBJSHY-UHFFFAOYSA-N 508.948 0.709 5 10 KCBE COCCN(CCOC)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645249 JKMUIRBGHNJOFR-UHFFFAOYSA-N 504.592 0.909 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCOCC2)cc1 1867833248 KPRQDYPFMYJQGD-LEWJYISDSA-N 517.495 0.792 5 10 KCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCNC(C)=O)cc1[N+](=O)[O-] 1871035079 TZGPBWNMQZQXOK-UHFFFAOYSA-N 503.512 0.751 5 10 KCBE O=C1CCCN1CCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871574724 WVKUEHRTWBPJHA-UHFFFAOYSA-N 519.994 0.559 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1865715742 IPYFKAOSSUMZNQ-KRWDZBQOSA-N 521.486 0.790 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H]2CN(Cc3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807114 SDCNGJUWXDRSKD-RDJZCZTQSA-N 502.480 0.840 5 10 KCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCN(C)C)CC1 1870398424 QPWOADZTPPVJBD-UHFFFAOYSA-N 500.556 1.000 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865725841 OPMVKUIBMIUZJF-CQSZACIVSA-N 516.511 0.409 5 10 KCBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871708147 IGMYDILUYGXCCF-UHFFFAOYSA-N 518.556 0.106 5 10 KCBE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731871 ANVNYLDAEUBLLU-YVEFUNNKSA-N 513.507 0.859 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 247865108 XHNMNLUMJHINIG-CTLXKPLOSA-N 670.577 0.038 5 10 KCBE NS(=O)(=O)c1ccc(CN=c2nc(N3CC(O)C3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)cc1 1871576443 SGAGNJCACGAQPT-UHFFFAOYSA-N 506.932 0.461 5 10 KCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867830337 MOPIRGHTQWYIEA-SUMWQHHRSA-N 509.497 0.419 5 10 KCBE NS(=O)(=O)c1ccc(CNC(=O)CCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2O)cc1 1859133045 ANUQEBGJUGBQSU-UHFFFAOYSA-N 501.481 0.634 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 1869806207 NAKPJRKGXOCPEJ-MRXNPFEDSA-N 506.516 0.323 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1Cl 1869954338 OIFVGRORLPHMQZ-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1866653894 AZPGZWYNJVVQKV-AEFFLSMTSA-N 541.560 0.294 5 10 KCBE CC(=O)OC[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 101577861 DKPBYCZUIMBUTO-LCWAXJCOSA-N 514.396 0.965 5 10 KCBE in-vitro NC(=O)CC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330632736 IMQZXRFHUNZKGW-IBGZPJMESA-N 503.537 0.365 5 10 KCBE CCc1nn(CC)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865586311 NKNLLTIRLWZOLJ-HXUWFJFHSA-N 528.566 0.976 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865725840 OPMVKUIBMIUZJF-AWEZNQCLSA-N 516.511 0.409 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1866808492 VCVUASKHBRPBLY-SFHVURJKSA-N 508.509 0.841 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867781732 GZSVZCUXSHXEMB-MRXNPFEDSA-N 541.608 0.021 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3ccc(CC)c([N+](=O)[O-])c3)[nH]2)CC1 1871620953 GCJVMSUYLWFTEG-UHFFFAOYSA-N 501.548 0.756 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621702 SONAXZXCWRCNRM-UHFFFAOYSA-N 507.559 0.594 5 10 KCBE CCc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656455 VNTUBCIUUBBODJ-MOPGFXCFSA-N 539.588 0.847 5 10 KCBE CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790770 ZSDWIKOAHZPVGZ-KKSFZXQISA-N 541.561 0.949 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865734606 MOIRBMRHWJWNHU-SFHVURJKSA-N 519.518 0.431 5 10 KCBE COCCNC(=O)COc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870526060 SETNEECPIMGGBY-UHFFFAOYSA-N 503.556 0.603 5 10 KCBE Cc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869955337 MYDBIRAUUGVRBF-UHFFFAOYSA-N 523.506 0.900 5 10 KCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)c1 1858650896 XCEWQGLYXWMUKU-UHFFFAOYSA-N 506.541 0.684 5 10 KCBE CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886982 ZNWNJYFEOLWFHC-LPWQTFTOSA-N 576.607 0.683 5 10 KCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865738010 ZKGZHJRCLGTUHG-YVEFUNNKSA-N 513.507 0.717 5 10 KCBE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869788651 FGSFFRDQCAJEEQ-QHCPKHFHSA-N 520.543 0.795 5 10 KCBE COc1cc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc(OC)c1OC 1867791416 DMSSHEXMOUPXGZ-SIKLNZKXSA-N 575.619 0.967 5 10 KCBE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O)cc2)cccc1[N+](=O)[O-] 1858649069 YKGDWQYEVQZXGV-UHFFFAOYSA-N 507.481 0.022 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822670 YWZPARMUWJNLRU-UYAOXDASSA-N 545.505 0.821 5 10 KCBE C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC(=O)CC[C@H](O)[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=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2 1070081501 IBRQTOKMQLIMRF-MDTMPJJLSA-N 922.075 0.920 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865735134 YYYRFMFPBDZRLZ-SFHVURJKSA-N 519.518 0.431 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867799458 DOKNLLPSJLJKBV-OFNKIYASSA-N 515.567 0.950 5 10 KCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867828913 YMJSOKGZJOOGKE-QGZVFWFLSA-N 523.524 0.809 5 10 KCBE Nc1nc(O)c2nc(Nc3ccc4c(c3)Cc3cc([N+](=O)[O-])ccc3-4)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1 725414546 NPGDUUMPIDZXLY-LNNXQNCSSA-N 507.463 0.949 5 10 KCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867833634 MYENXUFFUJIBSU-GOSISDBHSA-N 509.497 0.714 5 10 KCBE CN(C)CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870590190 QSAOKJFLXCYSRE-UHFFFAOYSA-N 517.583 0.874 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869781398 DKFVDCHCAQPZHW-IBGZPJMESA-N 520.543 0.713 5 10 KCBE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=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 4533825 YDPNOCSPPGFBPX-CSEYDVTNSA-N 628.639 0.591 5 10 KCBE in-vitro CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[C@@H](OC(C)=O)[C@H]1OC(C)=O 2053606981 DERWUMPBVVAOCU-VTSJOCERSA-N 522.463 0.807 5 10 KCBE O=C(OCc1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 1616057469 UYGBHHRVGNCHBL-HPAIXVDQSA-N 519.507 0.232 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)CC2 1867822627 YKUFZQSIALGIDY-GAJHUEQPSA-N 518.479 0.870 5 10 KCBE C[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)O 1858975406 ZVXMMXBLJNMCMF-NSHDSACASA-N 509.453 0.937 5 10 KCBE O=C(COc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O)NCCCO 1870355722 GANQVGXZECDAJK-UHFFFAOYSA-N 503.556 0.339 5 10 KCBE C[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 585672192 CUNAYWNJGOTMFR-NDXORKPFSA-N 510.551 0.479 5 10 KCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865725583 KARBMGSBMIGDEV-MRXNPFEDSA-N 518.958 0.893 5 10 KCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867795721 ORCKZKHDWISBTF-WMZOPIPTSA-N 558.013 0.203 5 10 KCBE O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1869975954 XWADGNMMSJFTPX-QZTJIDSGSA-N 505.557 0.990 5 10 KCBE COc1ccc(N=c2[nH]c(=NCCCN3CCCC3=O)[nH]c(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871465349 YREMXCOQJXIGAT-UHFFFAOYSA-N 527.586 0.647 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2331164121 DJCWZMPOQVOOAZ-GOSISDBHSA-N 503.541 0.866 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887508 WKLALNSUIXPEGB-ZPOKTZCFSA-N 681.703 0.372 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867845301 GXIXVFMFUVGMSD-MRXNPFEDSA-N 509.497 0.299 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869807634 AQFGEDCTOPBUJR-GOSISDBHSA-N 520.543 0.713 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791446 FAQSSWRMGJBQOO-PKTZIBPZSA-N 541.605 0.582 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869946120 DJCWZMPOQVOOAZ-DUMMIQTOSA-N 503.541 0.866 5 10 KCBE CC[C@@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 301320187 SVDPRCWUGMJJJZ-NBCMXZRGSA-N 928.018 0.591 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867770882 GZEWIDZNXXTSKD-JSGCOSHPSA-N 520.973 0.198 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867835715 XMLMPRHFSSYGDJ-HKUYNNGSSA-N 523.524 0.809 5 10 KCBE NC(=O)COc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870667601 HFFZAKKLTKGHBE-UHFFFAOYSA-N 514.583 0.665 5 10 KCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCN3CCOCC3)[nH]2)c1 1871518097 QIDFPPGSJXXFQC-UHFFFAOYSA-N 507.559 0.228 5 10 KCBE O=C(N[C@H](CO)C(=O)NCc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788860 NALQKDQQGBICFL-LJQANCHMSA-N 511.535 0.965 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 1867791777 HGPJKPBKNQQNCQ-SIBVEZHUSA-N 544.561 0.490 5 10 KCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867793537 UMIVQSJSEZKQIL-LJQANCHMSA-N 520.564 0.632 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867912289 UMLMCNVIDLXXHD-DOMZBBRYSA-N 520.973 0.198 5 10 KCBE CC(C)(C)n1nc(N2CCN(CCO)CC2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870009861 RRTPGWXEGUUHHL-UHFFFAOYSA-N 500.516 0.290 5 10 KCBE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865731404 PAKAHPNVSCRAJR-HNNXBMFYSA-N 523.930 0.462 5 10 KCBE O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860743068 TVEIVONGNAXGNB-UHFFFAOYSA-N 512.508 0.868 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 1869806206 NAKPJRKGXOCPEJ-INIZCTEOSA-N 506.516 0.323 5 10 KCBE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=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 4533823 YDPNOCSPPGFBPX-XHIRGIGLSA-N 628.639 0.591 5 10 KCBE in-vitro Cn1c(CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867788565 HTIGLMASWJJGEZ-GOSISDBHSA-N 510.507 0.085 5 10 KCBE O=C(N=c1nc(N2CCN(c3ncccn3)CC2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870075090 NXWYMLNMMANSSJ-KRWDZBQOSA-N 513.540 0.337 5 10 KCBE O=C(Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870075302 PZPWOOGPDLXBCA-QGZVFWFLSA-N 513.540 0.915 5 10 KCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)cc1[N+](=O)[O-] 585175209 JYFLDHAHVPPCJY-UHFFFAOYSA-N 506.545 0.864 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820386 DEVHKWQBVTVBHJ-CTNGQTDRSA-N 515.523 0.962 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832264 ATLJTQMLBQIVEL-RTWAWAEBSA-N 501.496 0.653 5 10 KCBE NC(=O)CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861123566 IMQZXRFHUNZKGW-NJGYHNCTSA-N 503.537 0.365 5 10 KCBE Cn1c(=O)nc(O)c2c1nc(NCCCN1CCOCC1)n2C[C@H](O)COc1ccc([N+](=O)[O-])cc1 606629598 CGKOQGZYJITSTG-INIZCTEOSA-N 503.516 0.318 5 10 KCBE CCN(CCO)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518955 BTAALZRQPDVHDS-UHFFFAOYSA-N 502.557 0.488 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865734642 NJFOWWCMRJHHLU-QGZVFWFLSA-N 507.459 0.818 5 10 KCBE CN1CCN([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 1867834129 QYZCEDFINMSQCE-RTWAWAEBSA-N 500.512 0.699 5 10 KCBE CC(=O)N[C@H](C)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858975358 XYHJRCDDYQOQBU-CYBMUJFWSA-N 536.523 0.988 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867783099 HLQFFLVSLWJIMK-SJORKVTESA-N 555.635 0.145 5 10 KCBE Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 1867873985 KWLNHNJWGWKHHC-FUHWJXTLSA-N 528.971 0.445 5 10 KCBE Cc1c(C(=O)NC(C)(C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869778748 AYGFWOKTLVCLTF-UHFFFAOYSA-N 520.543 0.713 5 10 KCBE O=C(COc1cn(CCOCCO)c(CN2CCC(CO)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398601 UJYKIGLJNXNLAM-UHFFFAOYSA-N 504.540 0.987 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 2053606978 DERWUMPBVVAOCU-QZUCXDRTSA-N 522.463 0.807 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867781516 BUONGHBCGZJQEJ-HXUWFJFHSA-N 559.551 0.707 5 10 KCBE O=C1CSC(=O)N1CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN(CCO)CCO 1870686166 LLLZDXZNJYURHG-UHFFFAOYSA-N 506.537 0.818 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869754324 RIZMTEVVGIHRFJ-OAQYLSRUSA-N 546.625 0.333 5 10 KCBE Cc1c(N=c2[nH]c(=NCCCN3CCCC3=O)[nH]c(=NCCCN3CCCC3=O)[nH]2)cccc1[N+](=O)[O-] 1871468141 ACJBKLSHEPSPIW-UHFFFAOYSA-N 511.587 0.946 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 27307277 VSEGOTQZYWBMCQ-TZYHBYERSA-N 610.624 0.738 5 10 KCBE CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255990518 NPMRWZCVKXKVKM-ZFMFMYKPSA-N 590.634 0.929 5 10 KCBE CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 301320185 SSDBXDGLQPOZGD-QXGSTGNESA-N 562.580 0.293 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)OC1=O 1867796038 QWMJLXCYCCKTOH-MSOLQXFVSA-N 515.523 0.897 5 10 KCBE CC(=O)NCCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869975539 QGOIEJBUKTXZHG-SFHVURJKSA-N 520.572 0.337 5 10 KCBE CN(C[C@@H](O)CNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1ccccc1 1868046720 HYQNXZLNIUNTCT-HNNXBMFYSA-N 504.521 0.769 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612263 FPUPORSBEXGRKK-AMPOSMCWSA-N 757.651 0.593 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1870015912 QYPWEJMNHLITLN-CQSZACIVSA-N 513.964 0.566 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1865715731 ILMKSDJMEKRNAE-QGZVFWFLSA-N 521.486 0.790 5 10 KCBE COc1cc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869961735 YLVDWONJAIAFAA-CYBMUJFWSA-N 509.545 0.567 5 10 KCBE CN1C(=O)c2ccc(N=c3[nH]c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(=NCCO)[nH]3)cc2C1=O 1871633553 SHGLHRHYDDEXNQ-UHFFFAOYSA-N 519.522 0.324 5 10 KCBE CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 642886964 SVDPRCWUGMJJJZ-BIFHHAKHSA-N 928.018 0.591 5 10 KCBE COCCOCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869974652 CCKKQWYFNMRHRN-GOSISDBHSA-N 523.572 0.474 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 613839041 DIGUUNRLVBJXKB-ZNZYKUQJSA-N 966.128 0.889 5 10 KCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867791718 GJJQGOQPGVUODB-IBGZPJMESA-N 514.539 0.343 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN3CCC(C(N)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696877 RZAKTEYFXRVJHM-UHFFFAOYSA-N 517.539 0.862 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1865715730 ILMKSDJMEKRNAE-KRWDZBQOSA-N 521.486 0.790 5 10 KCBE CN(C[C@@H](O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccc(Cl)c1 1868046713 HNCLSYHDDSCTBG-ZDUSSCGKSA-N 510.912 0.642 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 642811114 DIGUUNRLVBJXKB-QZZSFRRKSA-N 966.128 0.889 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887507 WKLALNSUIXPEGB-KTEAYJLESA-N 681.703 0.372 5 10 KCBE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715901 MIGUHLFPTHQGED-QGZVFWFLSA-N 509.475 0.717 5 10 KCBE NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N(CC(N)=O)c1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 643598815 RAQOSQXIKHEBBU-RONNFESSSA-N 782.947 0.910 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865726790 AJOYKUXSNVYXLZ-BCRMMHBESA-N 523.546 0.887 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@@]3(O)C[C@H](O)[C@H](C(=O)O)[C@@H](C2)O3)[C@H]1O 256116040 DIGUUNRLVBJXKB-LKVLXARZSA-N 966.128 0.889 5 10 KCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865722770 ZLTFNNHSPNFMCE-INIZCTEOSA-N 517.495 0.001 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867780368 PCWSCRULLOUHOC-INIZCTEOSA-N 525.609 0.784 5 10 KCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 219432178 XAFLGZCJBUOOIP-XWYPRVOQSA-N 518.571 0.694 5 10 KCBE Cc1c(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870062902 WKPFTJGVYIHUKR-LBPRGKRZSA-N 509.501 0.976 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836889 XNSZNGDRMCGXCR-TZMCWYRMSA-N 529.553 0.789 5 10 KCBE CN(C)c1nc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1 1891636146 CMSGGUYGDZTPSF-SFHVURJKSA-N 534.599 0.542 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccccn1)=C(N)O2 1865716564 CQVLHCNYRFCOPR-KRWDZBQOSA-N 522.474 0.169 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(C(N)=O)CC1)=C(N)O2 1865731009 ITQLAPOEKHIWMR-AWEZNQCLSA-N 518.914 0.064 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867807616 CLIDRCKCOBQTJF-HNNXBMFYSA-N 509.497 0.339 5 10 KCBE COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 97977668 XHNMNLUMJHINIG-MYTFLPADSA-N 670.577 0.038 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccncc1)=C(N)O2 1865715556 DFXQZZZUSIDVCU-KRWDZBQOSA-N 522.474 0.169 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867788000 UBIVKYFTURDOAB-GOSISDBHSA-N 517.514 0.937 5 10 KCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867795719 ORCKZKHDWISBTF-FUHWJXTLSA-N 558.013 0.203 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724253 JQOKZZIXJHOKPW-QGZVFWFLSA-N 503.475 0.880 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 2332040952 OVGVHSXXWIAEKV-KRWDZBQOSA-N 503.541 0.900 5 10 KCBE C[C@@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@](O)(C[C@H](O)[C@H]2C(=O)O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@@H]1O 1307451011 APKFDSVGJQXUKY-HIJIHPOYSA-N 924.091 0.712 5 10 KCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1ccc(O)c([N+](=O)[O-])c1 1865623356 AISLBNUEKMABRZ-AWEZNQCLSA-N 512.445 0.884 5 10 KCBE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943049 LUPASQYNHDSUQN-GOSISDBHSA-N 503.556 0.643 5 10 KCBE C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)NCC(=O)N(CC(=O)O)C(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 216043945 KWKBJIHGODQBPL-VGSWGCGISA-N 628.664 0.607 5 10 KCBE O=C(O)c1cc(O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cccc34)c2c1 675082852 QFJIQUOMKJNYLI-KPATTZSFSA-N 862.746 0.543 5 10 KCBE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794842 YMKKWLFOPYEEGF-OLZOCXBDSA-N 530.581 0.590 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867828503 QDNHIWTZKDJUOT-HXUWFJFHSA-N 559.488 0.565 5 10 KCBE Cc1c(N=c2[nH]c(=NCCCN3CCOCC3)[nH]c(=NCCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871468249 FWHYQLFPLNDHDC-UHFFFAOYSA-N 515.619 0.366 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792021 HZLDVMFBMGZFEH-WOJBJXKFSA-N 545.524 0.798 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867360482 KWEORVRTYQCCPU-SJLPKXTDSA-N 514.944 0.137 5 10 KCBE CC(C)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753030 DZSDWIGYIIEIIC-VWLOTQADSA-N 560.652 0.579 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 1892002857 RYGDCDXXADJPDK-UHFFFAOYSA-N 512.433 0.789 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793640 WCRLLRYAXYTKNB-OFNKIYASSA-N 571.587 0.441 5 10 KCBE O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1868808489 BLZCZNDFYVCYEO-RUZDIDTESA-N 570.672 0.983 5 10 KCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCCC2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1869749696 VIFJBPSWOVHASM-UHFFFAOYSA-N 502.572 0.318 5 10 KCBE CC(C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255962836 APPSYVHVOCTIDH-UWFJBWRYSA-N 686.675 0.436 5 10 KCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867788165 VJKYUGUVLOTSCZ-DZGCQCFKSA-N 513.598 0.638 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccncc1)=C(N)O2 1865715557 DFXQZZZUSIDVCU-QGZVFWFLSA-N 522.474 0.169 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869959873 CUMBWQFSQJSPMT-CQSZACIVSA-N 508.517 0.767 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867801390 LOLNHDMSYXGJSF-KRWDZBQOSA-N 532.506 0.454 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CSc3nnnn3C)cc2=O)c([N+](=O)[O-])c1 1870194214 HTEMXEJRWLHDSR-LBPRGKRZSA-N 505.513 0.979 5 10 KCBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871643440 GWEWROSTJVGFRH-UHFFFAOYSA-N 514.568 0.814 5 10 KCBE CCN(CCO)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646115 UQZAJJXHYURPBN-UHFFFAOYSA-N 502.557 0.754 5 10 KCBE Cn1c(O)nc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1=O 1891596052 UHWMOQPUPMCFJD-KRWDZBQOSA-N 506.541 0.286 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493205 DHMBGXFVGCHGGL-MTWMCTLXSA-N 953.865 0.955 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cc1[N+](=O)[O-] 1866903867 ZFIBESDOWDAALK-NHCUHLMSSA-N 561.617 0.642 5 10 KCBE COc1cc(O)c2c(=O)oc3cc(O[C@@H]4O[C@H](CO)[C@H](OC(=O)CC(=O)O)[C@H](O)[C@@H]4O)cc(C)c3c2c1 1848438002 DHMROGTYLCDGQS-QDUCZTKASA-N 520.443 0.173 5 10 KCBE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865736832 PWHIKISSNQVNMA-JCGVRSQUSA-N 527.534 0.963 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867844864 LERHGERUUPRGFP-QGZVFWFLSA-N 531.478 0.654 5 10 KCBE CC[C@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869768642 ZFXWBNNJXAKHJY-VWLOTQADSA-N 535.598 0.904 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 215767323 YHUKYRGKNPQLRF-LUZMIZLMSA-N 624.651 0.890 5 10 KCBE CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869783659 SSZWCWMHODEKIP-NRFANRHFSA-N 520.543 0.651 5 10 KCBE NS(=O)(=O)c1ccc(CNC(=O)Cc2nonc2OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1872655385 TWYTWTJUGBIUKA-UHFFFAOYSA-N 505.465 0.930 5 10 KCBE Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@@H]5O)c4c4oc(=O)c1c2c34 257655849 YEHWMDOPGZMLDO-OLROBBAUSA-N 626.567 0.716 5 10 KCBE CC(=O)NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 725407000 VBYBHXBMGDKMME-VQTJNVASSA-N 504.544 0.452 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 1548337516 DIGUUNRLVBJXKB-VMRFFIOESA-N 966.128 0.889 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545217 DQYZTJGYJYAGFK-QZQRHWJZSA-N 735.648 0.746 5 10 KCBE O=C(O)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858658807 ANKPDKNDQGHRAB-UHFFFAOYSA-N 520.524 0.691 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836249 IKNVYYFQYSEOGF-GOEBONIOSA-N 523.524 0.728 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867844913 DTMIYXUXZPFLSP-DOTOQJQBSA-N 573.968 0.353 5 10 KCBE O=C(COc1cn(CCO)c(CN2CCN(c3ncccn3)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398429 QUYJCECFUGVAQE-UHFFFAOYSA-N 509.523 0.879 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1865713852 JSWSDDOLKJUZFI-KRWDZBQOSA-N 511.466 0.890 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867807145 SWFHNMWPXUKQCC-ICSRJNTNSA-N 516.551 0.762 5 10 KCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864891030 AVNHCTCCCRNSJJ-IBGZPJMESA-N 500.512 0.551 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867807500 ZQOLFHVPCHPPHW-WMLDXEAASA-N 574.996 0.154 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1865716131 SFMOFLDVTKPGRF-SFHVURJKSA-N 523.502 0.891 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C1 1865736724 OLYSDHRRYLBNNS-CJNGLKHVSA-N 513.507 0.489 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791177 CVJBXOFWFPLIRE-OALUTQOASA-N 513.507 0.664 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821175 KHNXNAKDXNJOLB-YJBOKZPZSA-N 573.968 0.353 5 10 KCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867795709 OKZARIAVKXXZTG-WIYYLYMNSA-N 529.550 0.670 5 10 KCBE CC(C)(C)n1nc(N2CCN(CCO)CC2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870009557 NCWFMHYFVZJVPQ-UHFFFAOYSA-N 500.516 0.290 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 1772717778 DIGUUNRLVBJXKB-DGKQZJKYSA-N 966.128 0.889 5 10 KCBE in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1866653896 AZPGZWYNJVVQKV-SJLPKXTDSA-N 541.560 0.294 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821170 KHNXNAKDXNJOLB-MAUKXSAKSA-N 573.968 0.353 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887461 NXIHRDNJQWUSLK-KTEAYJLESA-N 682.687 0.971 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1865715871 LXQLSCUQHTWYPM-QGZVFWFLSA-N 521.486 0.790 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865725426 JALPHTQJJHFOJV-AWEZNQCLSA-N 516.511 0.409 5 10 KCBE C[C@H](O[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-] 306146750 NYWDUFBXCCSYMK-HGXVYCQQSA-N 672.330 0.770 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1775953991 FPUPORSBEXGRKK-WTTFLACKSA-N 757.651 0.593 5 10 KCBE in-vitro O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1869975955 XWADGNMMSJFTPX-ROUUACIJSA-N 505.557 0.990 5 10 KCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784600 PEYLGKIMRKWTTP-GOSISDBHSA-N 505.553 0.844 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793557 UVBXGPNUBOIBPU-MRXNPFEDSA-N 525.584 0.078 5 10 KCBE O=c1cc(CN(CCO)CCO)n(CCc2cnc[nH]2)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870590160 PGAVIKRZKZQCGY-UHFFFAOYSA-N 515.523 0.954 5 10 KCBE CNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858987518 AUSYLVGAZGJTDA-UHFFFAOYSA-N 507.598 0.847 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865724922 BEFKGEMPKGYTDF-INIZCTEOSA-N 529.506 0.194 5 10 KCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732405 LSLJDXLBZOZTNU-UEKVPHQBSA-N 505.915 0.976 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OC1=O 1867793477 SIKGLNGXXGVTNU-UXHICEINSA-N 557.560 0.668 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867795584 MGLGHZDOFKOMRH-QUCCMNQESA-N 557.604 0.976 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867799501 FJMVBLZARTUGHY-ZJSXRUAMSA-N 528.610 0.865 5 10 KCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867803215 BGWXSKLMUIQTSB-YJBOKZPZSA-N 538.579 0.918 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575231652 NAPXHRWKTGFZTP-ZSWUQNLJSA-N 757.651 0.593 5 10 KCBE NS(=O)(=O)c1ccc(CCN2C(=O)C(NCCN3CCOCC3)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863594271 KRTAKKXNPTXHKI-UHFFFAOYSA-N 529.575 0.487 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCOCC2)cc1 1867833250 KPRQDYPFMYJQGD-RTWAWAEBSA-N 517.495 0.792 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791178 CVJBXOFWFPLIRE-RBUKOAKNSA-N 513.507 0.664 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867806781 MXTZCLQNOXTUOM-QGZVFWFLSA-N 516.507 0.749 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821173 KHNXNAKDXNJOLB-QAPCUYQASA-N 573.968 0.353 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834660 VMGLNEGXWIEVEZ-RTBURBONSA-N 531.478 0.512 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN3CCN(C)CC3)cc2=O)c([N+](=O)[O-])c1 1870696992 SRIITMFVJFESGK-UHFFFAOYSA-N 516.555 0.666 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724241 JNCWYDKZEUGDFC-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732611 PDXCMURQDNIAKC-SFHVURJKSA-N 507.503 0.708 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 1867795400 JAJNFFDWTNIZHT-XDHUDOTRSA-N 502.524 0.719 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867806067 HHMVLBBOWPQHDH-IEBWSBKVSA-N 546.533 0.621 5 10 KCBE O=C(COc1cn(CCN2C(=O)CSC2=O)c(CN2CC(O)C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870399146 XQKVYXOFTPRGPN-UHFFFAOYSA-N 517.520 0.646 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867793934 BDFMTFHISSYBHC-CQSZACIVSA-N 510.525 0.140 5 10 KCBE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721981 HAPDLSSJJPCJAK-MRXNPFEDSA-N 503.512 0.715 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867806938 PAYHXKLSSLVIPS-IBGZPJMESA-N 574.543 0.674 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871643634 FTRRGPGLYACAQO-UHFFFAOYSA-N 515.575 0.698 5 10 KCBE CC[C@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753386 KKQOBARPCPBGMK-MHZLTWQESA-N 560.652 0.723 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867869750 DNYSTSMHSGEXQX-FQEVSTJZSA-N 528.518 0.965 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 1869971626 OQKKOZLHDIPOFB-ZDUSSCGKSA-N 503.497 0.381 5 10 KCBE O=C([C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc3nncn3n2)CC1 1891885764 UILIGNOXFKVZQT-GOSISDBHSA-N 500.541 0.925 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724174 IAISREIITUWEGC-INIZCTEOSA-N 513.507 0.489 5 10 KCBE C[C@@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2C1 1867788314 FIMMBNANBHJNQL-VQIMIIECSA-N 500.556 0.660 5 10 KCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867788399 YDVQMFPVMSSXNP-NVXWUHKLSA-N 507.569 0.577 5 10 KCBE COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2=O)c1 1873696410 ZBBVHMWESLRQGC-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867772435 YDDILZFKOZDLNK-WMLDXEAASA-N 549.389 0.790 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612247 DQYZTJGYJYAGFK-QGLHAKFISA-N 735.648 0.746 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865727478 ITZBWCICJHSYPD-FZKQIMNGSA-N 521.486 0.643 5 10 KCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867788398 YDVQMFPVMSSXNP-DOTOQJQBSA-N 507.569 0.577 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732273 IYGHOZDSCWNGHC-SFHVURJKSA-N 507.503 0.708 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCCCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792605 LEDAGQUSPRJIQE-SFHVURJKSA-N 500.508 1.000 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867803582 XPTMRHRLXUWLQC-QGZVFWFLSA-N 534.497 0.888 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871706067 XVMOZBLCGLTCTL-UHFFFAOYSA-N 509.575 0.856 5 10 KCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)c1 1858976791 GCQYEQDKIKKNFQ-UHFFFAOYSA-N 507.525 0.700 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865727479 ITZBWCICJHSYPD-SCLBCKFNSA-N 521.486 0.643 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867806069 HHMVLBBOWPQHDH-PKOBYXMFSA-N 546.533 0.621 5 10 KCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867830949 QWZKESHRNCVNFQ-ABAIWWIYSA-N 515.526 0.481 5 10 KCBE CN1C(=O)c2ccc(N3C[C@H](C(=O)N4C[C@@H]5C[C@@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)CC3=O)cc2C1=O 1873016330 NMBVDBFASMMPMX-SOUVJXGZSA-N 505.487 0.981 5 10 KCBE O=C(O)CNC(=O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858646181 IODDLBQRKKJRJK-BJMVGYQFSA-N 519.492 0.113 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867882783 HIDHYKGFCVDKFT-YOEHRIQHSA-N 514.944 0.137 5 10 KCBE CC(C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869752311 XRQNBRJCSJDYAQ-UHFFFAOYSA-N 546.625 0.333 5 10 KCBE COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-[n+]1cn(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1OC 230436428 XFHJUGHVKNLNTA-UHFFFAOYSA-N 653.564 0.844 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 642811112 DIGUUNRLVBJXKB-HEDTUGQMSA-N 966.128 0.889 5 10 KCBE CCC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869761016 CXKSYFLJQBNTJY-HXUWFJFHSA-N 518.615 0.952 5 10 KCBE CSCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606129 OKLXKSBLZLGGDI-HNNXBMFYSA-N 502.596 0.959 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865728082 OSFDNJONLBDBRW-CRAIPNDOSA-N 521.486 0.643 5 10 KCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864891285 GYTMUCVVAYAUSV-HXUWFJFHSA-N 514.539 0.941 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 642811113 DIGUUNRLVBJXKB-ITZBVSFUSA-N 966.128 0.889 5 10 KCBE C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867793607 VPHMKPKYUCJKJE-UWJYYQICSA-N 525.562 0.612 5 10 KCBE C[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCCN)C(N)=O 585669264 KRLFZMBIAQAVBI-HSQYWUDLSA-N 512.567 0.773 5 10 KCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858975155 PBXXOJYVJZOKCE-UHFFFAOYSA-N 522.496 0.600 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1866591583 CFNBLXZXMSTCIG-IBGZPJMESA-N 521.552 0.269 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836250 IKNVYYFQYSEOGF-HOCLYGCPSA-N 523.524 0.728 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867845024 FVDDPIILLYCXES-PMACEKPBSA-N 515.523 0.962 5 10 KCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865726289 VPDACQRTGHIVAG-OAHLLOKOSA-N 518.914 0.031 5 10 KCBE O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cnccn1 1869975562 QVWXLWYFMMPADA-QGZVFWFLSA-N 513.540 0.915 5 10 KCBE O=C(NCCc1ccc(S(=O)(=O)NC(=O)N2CCNCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1858986266 OMKIFBFLWRPAKA-UHFFFAOYSA-N 506.497 0.779 5 10 KCBE O=C(O)CNC(=O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858972669 FYYHXUNIWKMANM-BJMVGYQFSA-N 533.519 0.156 5 10 KCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-] 1858976587 WFZPIRKAIBXCFC-UHFFFAOYSA-N 535.579 0.896 5 10 KCBE C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 725409077 WALULYOJRBINBA-JXFKEZNVSA-N 556.580 0.712 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867882781 HIDHYKGFCVDKFT-RHSMWYFYSA-N 514.944 0.137 5 10 KCBE Cn1c(=O)c2c(nc(I)n2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 606630463 PYQPWWFDMALIHU-SECBINFHSA-N 501.237 0.386 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@H](N)[C@H]3O)C[C@@H]1O2 1848433423 UAZIZEMIKKIBCA-GYEHGXCLSA-N 938.118 0.800 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 1867791775 HGPJKPBKNQQNCQ-BCHFMIIMSA-N 544.561 0.490 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836077 FFSCXNNLUDNWLO-OAHLLOKOSA-N 509.497 0.339 5 10 KCBE Cc1c(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870062901 WKPFTJGVYIHUKR-GFCCVEGCSA-N 509.501 0.976 5 10 KCBE COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1 77311831 XHNMNLUMJHINIG-ISSVBEJCSA-N 670.577 0.038 5 10 KCBE in-vitro O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(Cc2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792063 IPIKRLFOQVHHKJ-WOJBJXKFSA-N 527.534 0.659 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867799459 DOKNLLPSJLJKBV-REWPJTCUSA-N 515.567 0.950 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)C1 1865737663 XJWJXFZJKNKGET-ZBFHGGJFSA-N 513.507 0.489 5 10 KCBE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 1866804822 YDTQKZBZPZBWMC-HNNXBMFYSA-N 511.509 0.900 5 10 KCBE CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790769 ZSDWIKOAHZPVGZ-IIBYNOLFSA-N 541.561 0.949 5 10 KCBE NC(=O)C1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871575847 SUFNOQGWFIONHY-UHFFFAOYSA-N 505.967 0.466 5 10 KCBE COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 97977666 XHNMNLUMJHINIG-SCPGTITLSA-N 670.577 0.038 5 10 KCBE C[C@H](O)C[C@H](O)[C@@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](N)[C@@H]1O 1078029372 YPGDXONAFDJWNU-ISYRXTAASA-N 926.107 0.958 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN3CCC(O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696240 BZIBKPPTLLAFNN-UHFFFAOYSA-N 517.539 0.875 5 10 KCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc3nncn3n2)CC1 1891885765 UILIGNOXFKVZQT-SFHVURJKSA-N 500.541 0.925 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545216 DQYZTJGYJYAGFK-QKHSLVLPSA-N 735.648 0.746 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 1867791774 HGPJKPBKNQQNCQ-AFMDSPMNSA-N 544.561 0.490 5 10 KCBE Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)c4c4oc(=O)c1c2c34 257655841 YEHWMDOPGZMLDO-JLOLRQTCSA-N 626.567 0.716 5 10 KCBE COc1cccc(N2C[C@H](C(=O)NCCNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2=O)c1 1873696547 ZYLNMPWRPYISOV-CQSZACIVSA-N 509.475 0.485 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 575231650 NAPXHRWKTGFZTP-VMRUJNMISA-N 757.651 0.593 5 10 KCBE O=C(O)c1cc(O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cccc34)c2c1 675082849 QFJIQUOMKJNYLI-HHILKAMUSA-N 862.746 0.543 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCCCCC1)=C(N)O2 1865735826 CZMXGZDNCHAWPR-QGZVFWFLSA-N 513.507 0.861 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2037545259 NAPXHRWKTGFZTP-JBOMWOKESA-N 757.651 0.593 5 10 KCBE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715900 MIGUHLFPTHQGED-KRWDZBQOSA-N 509.475 0.717 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867832362 BNBPLCYHCSWJNO-VXKWHMMOSA-N 530.538 0.707 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C[C@@H]1O2 263614757 UAZIZEMIKKIBCA-TYVGYKFWSA-N 938.118 0.800 5 10 KCBE in-vitro O=C(O)/C=C/C(=O)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1858659599 RGOFZXXCKYXLSX-BQYQJAHWSA-N 518.508 0.467 5 10 KCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]3C(=O)N(CCn4cnc5c4c(=O)n(C)c(=O)n5C)C(=O)[C@@H]23)cc1 247812543 DIDDTZLZLPTVEB-QBIOXZDOSA-N 659.612 0.140 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867783383 IAAYZDBUXVICCL-UYAOXDASSA-N 549.606 0.084 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@@H](C2)O3)[C@@H]1O 256116045 DIGUUNRLVBJXKB-UWRGPBBVSA-N 966.128 0.889 5 10 KCBE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869795911 SOUNOVOVFVXYRC-HXUWFJFHSA-N 520.543 0.795 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C\C=C/C=CC=CC=C/C=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@H]1O 1083798888 APKFDSVGJQXUKY-LMOKALAMSA-N 924.091 0.712 5 10 KCBE CC(C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255962835 APPSYVHVOCTIDH-RVMXKSSSSA-N 686.675 0.436 5 10 KCBE NC(=O)COc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870666693 YCWRJJCWHXZRLC-UHFFFAOYSA-N 500.556 0.275 5 10 KCBE CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1Nc1ccccc1 1848438958 VMLZOUYCHMQKBP-QHPXAQJKSA-N 705.670 0.574 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865727261 GZSVSZZDWWMGAA-YJBOKZPZSA-N 521.486 0.643 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1 1867883598 OEYWPCTZFOAPTD-WMLDXEAASA-N 549.389 0.790 5 10 KCBE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731870 ANVNYLDAEUBLLU-SJKOYZFVSA-N 513.507 0.859 5 10 KCBE N=C(N)NCCC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 585672295 STCVCAIYWUVGER-PVHODMMVSA-N 645.721 0.459 5 10 KCBE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943007 KROZWYZTXBGRJG-HZPDHXFCSA-N 508.553 0.498 5 10 KCBE O=C(NCCN1CCOCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858974953 HGEQWPDHSUBBJH-UHFFFAOYSA-N 505.553 0.887 5 10 KCBE CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2[C@H](Oc3cccc4c(=O)c5c(N)c(=O)c6ccc(C)c7c(=O)oc(c-5c67)c34)O[C@H](C)[C@H](O)[C@H]2O)[C@@H]1O 257457549 JRLWNUGRLOAQEN-KFRNAVSKSA-N 651.621 0.403 5 10 KCBE CCN(CC)CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCO)CCO 1870398587 TUCGOKOWHCTQFS-UHFFFAOYSA-N 505.572 0.902 5 10 KCBE CCNC(=O)COc1cn(CCNC(C)=O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870533230 BMSSQQCLVOVMFM-UHFFFAOYSA-N 500.556 0.730 5 10 KCBE NS(=O)(=O)c1ccc2c(c1)CN(C(=O)CNC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 1869749392 SGFOMXFEQFCVNH-UHFFFAOYSA-N 503.537 0.394 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612246 DQYZTJGYJYAGFK-JTIXHCNASA-N 735.648 0.746 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721316 PGKKLUVZQFTXBQ-KRWDZBQOSA-N 516.555 0.631 5 10 KCBE CCc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 1866593860 NKLYCPVOKRTGSS-FQEVSTJZSA-N 519.580 0.823 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)OC1=O 1867796039 QWMJLXCYCCKTOH-QZTJIDSGSA-N 515.523 0.897 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867828502 QDNHIWTZKDJUOT-FQEVSTJZSA-N 559.488 0.565 5 10 KCBE Cc1c(C(=O)N[C@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869773727 FJOGCNVJNIMBPB-QFIPXVFZSA-N 534.570 0.959 5 10 KCBE COc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H](O)c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] 1871705205 CYFPJKIYHJFZJK-GOSISDBHSA-N 519.946 0.966 5 10 KCBE Cc1c([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCO)C(=O)[C@@H]32)c(=O)n(-c2ccccc2)n1C 1088591821 FSOAOVKXZOLGEN-RJESQKRESA-N 549.540 0.697 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OC1=O 1867793476 SIKGLNGXXGVTNU-PMACEKPBSA-N 557.560 0.668 5 10 KCBE CN(C)S(=O)(=O)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12 828111559 ZTRJYOZEISVWFZ-NHCDEPBKSA-N 515.592 0.929 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865729017 WMZADIRJGVHGDB-KVISUMCESA-N 523.546 0.887 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820390 DEVHKWQBVTVBHJ-PZJWPPBQSA-N 515.523 0.962 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1870016256 WHTPKSUQKHPEME-CQSZACIVSA-N 513.964 0.566 5 10 KCBE COc1cc(C(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1OC 1873770403 DXXKFPRZNQXTKM-CABCVRRESA-N 506.537 0.953 5 10 KCBE CN(CC(=O)O)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858985453 DBNCYGUKNRZQFT-UHFFFAOYSA-N 509.453 0.890 5 10 KCBE O=C([C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCSCC1 1892260807 QTYBAXXPKDYRDA-OALUTQOASA-N 512.610 0.941 5 10 KCBE NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861027622 DUTFTUCRNDYCBZ-MRXNPFEDSA-N 511.944 0.618 5 10 KCBE CCc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656460 VNTUBCIUUBBODJ-RTBURBONSA-N 539.588 0.847 5 10 KCBE CN(C)c1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867794133 GJTAMSQVMHXOHA-QGZVFWFLSA-N 521.596 0.967 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867869751 DNYSTSMHSGEXQX-HXUWFJFHSA-N 528.518 0.965 5 10 KCBE COCCNC(=O)COc1cn(CCOC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870521832 XXICGVWIYFGYQW-UHFFFAOYSA-N 503.556 0.867 5 10 KCBE C[C@H]1CCn2cc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2C1 1867788312 FIMMBNANBHJNQL-LPHOPBHVSA-N 500.556 0.660 5 10 KCBE COc1cc(C(=O)NC(C)(C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869767039 HHHMBTVIWNPYIY-UHFFFAOYSA-N 521.571 0.514 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791447 FAQSSWRMGJBQOO-XZOQPEGZSA-N 541.605 0.582 5 10 KCBE O=c1cc(CN2CC(O)C2)n(CCN2CCOCC2)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870589607 DRBLBFWYAWKUAW-UHFFFAOYSA-N 502.524 0.711 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782240 VMXMUEUGZDLMHV-MRXNPFEDSA-N 505.487 0.915 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871707553 XZGNUXNSPRKQNY-UHFFFAOYSA-N 516.559 0.463 5 10 KCBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861125948 LKMLWRXMVJFKSS-LTMNZSFGSA-N 503.537 0.365 5 10 KCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867795720 ORCKZKHDWISBTF-SJLPKXTDSA-N 558.013 0.203 5 10 KCBE CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867796215 CGFUAQVBGDXALR-HKUYNNGSSA-N 521.596 0.967 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836148 GKETXIJPNZHCJL-ZDUSSCGKSA-N 515.526 0.401 5 10 KCBE CCCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867789754 HBDVWGFWJMNWJI-QGZVFWFLSA-N 507.544 0.516 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870059942 GXNHSADNCQTDMV-ZDUSSCGKSA-N 509.501 0.976 5 10 KCBE CNC(=O)COc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870568540 ZRMCXZSRLBMNAW-UHFFFAOYSA-N 514.583 0.536 5 10 KCBE COc1ccc(N2C[C@H](C(=O)NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2=O)cc1 1873709078 XIVDQEGYFQWFFA-CQSZACIVSA-N 509.475 0.485 5 10 KCBE CC(=O)NCCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592431 ZEBGLOUEQLKBFC-UHFFFAOYSA-N 501.521 0.291 5 10 KCBE CSCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753631 JRXYYYGGSJDOLM-JOCHJYFZSA-N 592.719 0.676 5 10 KCBE CCN(CC)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1870058751 WBAAELFXQRTJQM-ZDUSSCGKSA-N 505.513 0.627 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCN(CCO)CC2)nn1-c1ccccc1 1870009506 LHSYRNXMSDSENN-UHFFFAOYSA-N 520.506 0.525 5 10 KCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)O1 1865733197 VMNSXHKAIIYCBQ-JKDFXYPNSA-N 529.506 0.094 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867808152 SKQJPKSREHEXCS-CYBMUJFWSA-N 515.526 0.401 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832325 BDZVPWKJUCCAEQ-ROUUACIJSA-N 505.415 0.870 5 10 KCBE CCCC[C@@H](NC(=O)OC)C(=O)NCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 1933213634 VMSSFNJADCXRQZ-SJORKVTESA-N 522.563 0.076 5 10 KCBE CC(=O)NCCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869975538 QGOIEJBUKTXZHG-GOSISDBHSA-N 520.572 0.337 5 10 KCBE CC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 65356742 VBYBHXBMGDKMME-PMACEKPBSA-N 504.544 0.452 5 10 KCBE O=[N+]([O-])c1ccc(N[C@H]2[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 198688010 ZGXKJMKUDNFNLL-DZVNLGKHSA-N 510.372 0.651 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1Cl 1870015911 QYPWEJMNHLITLN-AWEZNQCLSA-N 513.964 0.566 5 10 KCBE O=C(COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O)N1CCOCC1 1870582953 BAMPYQXCXVJBKM-UHFFFAOYSA-N 501.540 0.309 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869971497 JZPBWWYYBFCICR-GFCCVEGCSA-N 503.497 0.381 5 10 KCBE CCN1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870044307 NWMHFSUCAFATBM-AWEZNQCLSA-N 508.517 0.848 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1OC 1867807515 ZWYOQLRHAMGLMK-IEBWSBKVSA-N 574.587 0.927 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC 1867806832 NSYSRHDRQZWNQU-KBXCAEBGSA-N 500.508 0.792 5 10 KCBE COCCN(CCOC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865731405 PAKAHPNVSCRAJR-OAHLLOKOSA-N 523.930 0.462 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867830943 QVMDXFYMOVYHNQ-GOSISDBHSA-N 517.451 0.345 5 10 KCBE NS(=O)(=O)c1ccc(CCNC(=O)Cc2nonc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1872652583 VRGKJPSNMBZRSM-UHFFFAOYSA-N 504.481 0.544 5 10 KCBE CN(C)CCN(C(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)CN1CCNCC1 1873788274 HTJMBHNCCISCMJ-UHFFFAOYSA-N 502.572 0.573 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865726624 ZEWPWKWESAXXKE-INIZCTEOSA-N 513.507 0.489 5 10 KCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865584342 DPBNPNZYPUKSJM-LJQANCHMSA-N 514.539 0.493 5 10 KCBE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714898 UFQWFCHLNRBQEO-GOSISDBHSA-N 523.502 0.760 5 10 KCBE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867803332 TUZBPFQIIVCKIQ-OAHLLOKOSA-N 538.579 0.918 5 10 KCBE COCCN(CCOC)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519004 DZNMKLJBNDHVQF-UHFFFAOYSA-N 506.545 0.574 5 10 KCBE COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2=O)c1 1873696546 ZYLNMPWRPYISOV-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 2331755396 REUXUQXZQOGDEW-GOSISDBHSA-N 505.557 0.312 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867791154 COFJSAPPCIXESU-RDGATRHJSA-N 557.604 0.720 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2331165426 KBBCDSWCLJVCMX-GOSISDBHSA-N 503.541 0.866 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865733079 UGCZACBDHZDSKG-KRWDZBQOSA-N 515.523 0.879 5 10 KCBE COc1ccc(-n2nc(N3CC(O)C3)nc2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869998623 CNBZPRZVHMMVSA-UHFFFAOYSA-N 507.463 0.990 5 10 KCBE CC(=O)NCCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 725407001 VBYBHXBMGDKMME-WOJBJXKFSA-N 504.544 0.452 5 10 KCBE COC(=O)c1c(OC)cc(OC)cc1[C@@H]1N[C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)O)[C@H]2C(=O)NC(=O)[C@H]21 247886485 RXKVAIPGBWFECU-FVJVTNMWSA-N 513.459 0.998 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616587735 NAPXHRWKTGFZTP-PNRYJKIQSA-N 757.651 0.593 5 10 KCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)ccc1[N+](=O)[O-] 1858977759 GRRZSJLTTANPMW-UHFFFAOYSA-N 507.525 0.700 5 10 KCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867788485 ZXFVOXDHBFOLLJ-KRWDZBQOSA-N 569.662 0.799 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867833949 BPGUREXQTKQLQY-CVEARBPZSA-N 529.553 0.871 5 10 KCBE COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 255962535 AMGPHHBMTKEMRD-BGXLBEBNSA-N 931.020 0.892 5 10 KCBE CCCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864892356 GYRCGUMTLPPQKO-GOSISDBHSA-N 500.512 0.999 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791445 FAQSSWRMGJBQOO-GOTSBHOMSA-N 541.605 0.582 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H](N)[C@@H]3O)C[C@@H]1O2 575232473 UAZIZEMIKKIBCA-FQZLZOBPSA-N 938.118 0.800 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870059941 GXNHSADNCQTDMV-CYBMUJFWSA-N 509.501 0.976 5 10 KCBE CN1CCN(Cc2cc(=O)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cn2CCOCCO)CC1 1870590531 WLJDDUCFKRZVKY-UHFFFAOYSA-N 504.540 0.958 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1873774163 LKSIBOBEASBVFR-JKSUJKDBSA-N 507.503 0.895 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867793828 YZNLGSRIHAYRGP-IFMALSPDSA-N 599.641 0.747 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2=O)cc1OC 1867832853 HIZGTZQHKVMGEM-OXJNMPFZSA-N 559.532 0.818 5 10 KCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)cc1[N+](=O)[O-] 1858648541 ZPLVVYYUCXASSJ-UHFFFAOYSA-N 521.552 0.854 5 10 KCBE 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=CC=CC=C/C=C\C=C/C=C/C=C\[C@H](C)[C@@H](O)[C@H]1C)O2 2058696676 APKFDSVGJQXUKY-UIWWGRFMSA-N 924.091 0.712 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865733080 UGCZACBDHZDSKG-QGZVFWFLSA-N 515.523 0.879 5 10 KCBE CCc1nn(CC)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865586310 NKNLLTIRLWZOLJ-FQEVSTJZSA-N 528.566 0.976 5 10 KCBE CN(C)c1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867794132 GJTAMSQVMHXOHA-KRWDZBQOSA-N 521.596 0.967 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867912290 UMLMCNVIDLXXHD-IUODEOHRSA-N 520.973 0.198 5 10 KCBE O=C1NC(=S)NC(=O)C1C(c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C1C(=O)NC(=S)NC1=O 100530769 CIWDOMQDXGPUOQ-UHFFFAOYSA-N 527.540 0.552 5 10 KCBE CCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC 1772502401 BTBSGNCHEDEIJB-FQTDOVMPSA-N 721.853 0.356 5 10 KCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1 1869954460 PJMZWLOWNJGDAV-UHFFFAOYSA-N 523.506 0.981 5 10 KCBE CCOC(=O)N1CCN(c2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n(C)n2)CC1 1870070781 VGKBOLNJJJMACT-UHFFFAOYSA-N 500.472 0.627 5 10 KCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867793865 ZOTNMSSOIVBYCC-HXUWFJFHSA-N 549.606 0.643 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871707738 AZZGNLNTBSVCBV-UHFFFAOYSA-N 518.556 0.692 5 10 KCBE CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 301320186 SVDPRCWUGMJJJZ-HGQGCOLHSA-N 928.018 0.591 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867799498 FJMVBLZARTUGHY-QPPBQGQZSA-N 528.610 0.865 5 10 KCBE O=C(N=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccncc1 1869974790 DLVOBTKVVGVSFJ-IBGZPJMESA-N 512.552 0.942 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793853 ZHWZIQZPQTYINS-SFHVURJKSA-N 521.552 0.080 5 10 KCBE C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 725409079 WALULYOJRBINBA-OXQOHEQNSA-N 556.580 0.712 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721147 KTYFGOFHUCTLFT-QGZVFWFLSA-N 507.459 0.732 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1866611360 UUTXKZGLYNULIT-LJQANCHMSA-N 513.507 0.881 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@H](N)[C@@H]1O 575231183 APKFDSVGJQXUKY-RZDDNWGKSA-N 924.091 0.712 5 10 KCBE CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886933 BDVVLNPNJZWEDW-XKIVJUNCSA-N 576.607 0.539 5 10 KCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732404 LSLJDXLBZOZTNU-RWSFTLGLSA-N 505.915 0.976 5 10 KCBE COc1ccc(OCCN=c2nc(N(CCO)CCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1 1871708741 ZTCUXUXPFKODLL-UHFFFAOYSA-N 515.527 0.666 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97977697 FPUPORSBEXGRKK-KIVVIQIASA-N 757.651 0.593 5 10 KCBE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865729412 OBYIEWFJTWFLEF-GOSISDBHSA-N 522.518 0.879 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834657 VMGLNEGXWIEVEZ-MOPGFXCFSA-N 531.478 0.512 5 10 KCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867830334 MOPIRGHTQWYIEA-CXAGYDPISA-N 509.497 0.419 5 10 KCBE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OC 1866804823 YDTQKZBZPZBWMC-OAHLLOKOSA-N 511.509 0.900 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721200 MIFKWQDGCMZPCC-KRWDZBQOSA-N 507.459 0.732 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1866901823 BQCWONUAYWSTPX-UNMCSNQZSA-N 561.617 0.642 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867795583 MGLGHZDOFKOMRH-ICSRJNTNSA-N 557.604 0.976 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2037545260 NAPXHRWKTGFZTP-KGWZEEOOSA-N 757.651 0.593 5 10 KCBE COC(=O)c1c(OC)cc(OC)cc1[C@@H]1N[C@](CO)(C(=O)O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 247959604 QBINCZFJCYJMAQ-FVJVTNMWSA-N 529.458 0.664 5 10 KCBE CCc1cccc(OC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867788697 KHIFLBDKIHZYTD-LJQANCHMSA-N 500.508 0.806 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CCN(C(C)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696284 DITXCWFPLPCONP-MRXNPFEDSA-N 517.539 0.828 5 10 KCBE C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1872271700 TYFXDWLFPVVBMZ-INIZCTEOSA-N 504.569 0.850 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 247865103 XHNMNLUMJHINIG-CFWNRGJUSA-N 670.577 0.038 5 10 KCBE COc1cccc(-c2nnc(CNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)c1 1867793530 ULJOSLFLNNBTOB-GOSISDBHSA-N 526.506 0.897 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2=O)cc1 1873709077 XIVDQEGYFQWFFA-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE O=C(O)c1ccc(C(=O)c2c3c(=O)n(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)c(=O)c3cc3c(=O)n(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)c(=O)c23)cc1 253566685 JFUMMESGFPEBOY-UHFFFAOYSA-N 744.497 0.522 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867790514 KCJNEORNJQSNOR-FPOVZHCZSA-N 563.633 0.738 5 10 KCBE COCCN(CCOC)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870078226 DLENDAXFMVWEEN-AWEZNQCLSA-N 527.516 0.806 5 10 KCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1873787427 JUYVIQRIPTXTJM-UHFFFAOYSA-N 504.525 0.844 5 10 KCBE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])c(C(=O)NC(C)C)c2)cc1 504398499 DYZFADUXBXXXMO-ILBGXUMGSA-N 687.780 0.697 5 10 KCBE O=C(N=c1nc[nH][nH]1)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858997384 ZRSKDRKMNOEUNU-UHFFFAOYSA-N 504.441 0.526 5 10 KCBE O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 2331754573 JYAWRSQGFBRFFT-GOSISDBHSA-N 505.557 0.312 5 10 KCBE CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 301320184 SSDBXDGLQPOZGD-PDWMJMLSSA-N 562.580 0.293 5 10 KCBE O=C(N[C@H](CO)C(=O)NCc1nc(-c2cccs2)no1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791717 GIRXUMCKWVWUFA-CQSZACIVSA-N 502.509 0.950 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867793831 YZNLGSRIHAYRGP-UNMCSNQZSA-N 599.641 0.747 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545219 DQYZTJGYJYAGFK-YNOKHOCHSA-N 735.648 0.746 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C\C=C/C=CC=CC=C/C=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@@H]1O 1083798891 APKFDSVGJQXUKY-WTCAMEPGSA-N 924.091 0.712 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721564 WFONAJKOUFYTKG-HNNXBMFYSA-N 515.914 0.743 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@H](CO)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 1867361680 WOZQFJFZPBBKGZ-XLIONFOSSA-N 514.535 0.910 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724413 MZNIKFLAIVFHEM-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865734641 NJFOWWCMRJHHLU-KRWDZBQOSA-N 507.459 0.818 5 10 KCBE Cc1c(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817947 OYSRCUVNKFHHAU-OCCSQVGLSA-N 529.553 0.789 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822667 YWZPARMUWJNLRU-AZUAARDMSA-N 545.505 0.821 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCN(C(C)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696283 DITXCWFPLPCONP-INIZCTEOSA-N 517.539 0.828 5 10 KCBE Cc1cc(C)n2[nH]c(=NC(=O)COc3cn(CCO)c(CNc4cccc([N+](=O)[O-])c4)cc3=O)nc2n1 1870853439 YXVQJHRWWFHWFE-UHFFFAOYSA-N 508.495 0.855 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2079743777 LXUSBVSVBLRAJQ-QOTMHUNLSA-N 756.667 0.166 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867847651 SQTIJBWBEUNWGH-QGZVFWFLSA-N 515.479 0.948 5 10 KCBE Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)c4c4oc(=O)c1c2c34 3915257 YEHWMDOPGZMLDO-LGBQEXNSSA-N 626.567 0.716 5 10 KCBE in-vitro CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612403 NAPXHRWKTGFZTP-KWSVOSNBSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865730616 DBEOIEOJPURCGI-GOSISDBHSA-N 505.487 0.977 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867781515 BUONGHBCGZJQEJ-FQEVSTJZSA-N 559.551 0.707 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724242 JOQKMUJXDIIKJO-KRWDZBQOSA-N 503.475 0.880 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791179 CVJBXOFWFPLIRE-RTBURBONSA-N 513.507 0.664 5 10 KCBE COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868134952 GQFNYVXWIPTYIF-INIZCTEOSA-N 511.534 0.933 5 10 KCBE CCN(CC)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1870058750 WBAAELFXQRTJQM-CYBMUJFWSA-N 505.513 0.627 5 10 KCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864891031 AVNHCTCCCRNSJJ-LJQANCHMSA-N 500.512 0.551 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865727260 GZSVSZZDWWMGAA-QAPCUYQASA-N 521.486 0.643 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 1867912064 PIEAZPOPWJDBMW-RDTXWAMCSA-N 549.389 0.790 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575232222 DQYZTJGYJYAGFK-UHNZIGKYSA-N 735.648 0.746 5 10 KCBE NC(=O)CC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330592508 LKMLWRXMVJFKSS-IBGZPJMESA-N 503.537 0.365 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493206 DHMBGXFVGCHGGL-NEEKCKAKSA-N 953.865 0.955 5 10 KCBE CN(C)S(=O)(=O)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 1615819476 ZTRJYOZEISVWFZ-XPDMDZMYSA-N 515.592 0.929 5 10 KCBE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869795910 SOUNOVOVFVXYRC-FQEVSTJZSA-N 520.543 0.795 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCCC2)nn1[C@H]1CCS(=O)(=O)C1 1870048639 OCCKYGDMDLNIRS-ZDUSSCGKSA-N 517.524 0.771 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865714184 NJPSOMBSZBSFBJ-INIZCTEOSA-N 528.522 0.424 5 10 KCBE O=C(O)CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858975377 YSKGFGRZHZJMLV-UHFFFAOYSA-N 509.453 0.938 5 10 KCBE O=[N+]([O-])c1cccc(N=c2[nH]c(=NCCCN3CCOCC3)[nH]c(=NCCCN3CCOCC3)[nH]2)c1 1871739149 POFUOKMOAPRUEP-UHFFFAOYSA-N 501.592 0.058 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)cc1 1867805990 GDQZYJQAAIFQQS-CTNGQTDRSA-N 532.550 0.901 5 10 KCBE C[C@H](O)Cn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870584568 ZWBHWHMTUUFIHY-IBGZPJMESA-N 515.567 0.697 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820388 DEVHKWQBVTVBHJ-FPOVZHCZSA-N 515.523 0.962 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545228 FPUPORSBEXGRKK-IJXFFLRQSA-N 757.651 0.593 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)C[C@@H]1O2 1848433422 UAZIZEMIKKIBCA-FFGGBCRYSA-N 938.118 0.800 5 10 KCBE O=C(Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870075300 PZPWOOGPDLXBCA-KRWDZBQOSA-N 513.540 0.915 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867808153 SKQJPKSREHEXCS-ZDUSSCGKSA-N 515.526 0.401 5 10 KCBE C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 14954792 WALULYOJRBINBA-UZLBHIALSA-N 556.580 0.712 5 10 KCBE 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=CC=CC=C/C=C\C=C\C=C/C=C[C@H](C)[C@@H](O)[C@H]1C)O2 1083806941 APKFDSVGJQXUKY-QOQZEAEBSA-N 924.091 0.712 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867348991 ILJPEYFHOCGNBI-FQEVSTJZSA-N 514.491 0.657 5 10 KCBE CCN1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871706873 FAACVMXXZOOPIS-UHFFFAOYSA-N 517.572 0.625 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782395 ZVTHTRNWRJSMQO-MRXNPFEDSA-N 505.487 0.915 5 10 KCBE Cc1c(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869960785 GCKSXVFJQXUKDW-ZDUSSCGKSA-N 508.517 0.767 5 10 KCBE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1OC(C)=O 32107157 QCMWTVCSCZCYCM-USYVTKNRSA-N 513.412 0.998 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721317 PGKKLUVZQFTXBQ-QGZVFWFLSA-N 516.555 0.631 5 10 KCBE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867802772 PTFAWFTXRWTZLM-ZDUSSCGKSA-N 544.608 0.980 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 1867912061 PIEAZPOPWJDBMW-KBXCAEBGSA-N 549.389 0.790 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867816726 GRYOYICGPBLAMR-GOSISDBHSA-N 531.478 0.654 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867835716 XMLMPRHFSSYGDJ-IEBWSBKVSA-N 523.524 0.809 5 10 KCBE CCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757606 JPLNMFCQKDNEOG-QFIPXVFZSA-N 560.652 0.723 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1870015891 QJVFAKDCKKNJQS-CQSZACIVSA-N 513.964 0.566 5 10 KCBE O=C(N=c1nc(N2CCN(c3ccccn3)CC2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870053138 APGPXXUJNYCIQF-SFHVURJKSA-N 512.552 0.942 5 10 KCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865736586 DOVLXRKYDWLZPD-OAHLLOKOSA-N 507.931 0.961 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])C1 1865736723 OLYSDHRRYLBNNS-BBRMVZONSA-N 513.507 0.489 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867782750 WILBKOZQQIKYNA-SFHVURJKSA-N 570.024 0.612 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545229 FPUPORSBEXGRKK-PDTCQLQSSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865724931 BGOLRERHZBSHMI-CQSZACIVSA-N 516.511 0.409 5 10 KCBE Cn1c(=O)nc(O)c2c1nc(NCCCN1CCOCC1)n2C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 606629603 CGKOQGZYJITSTG-MRXNPFEDSA-N 503.516 0.318 5 10 KCBE COc1ccc(C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870067074 PZJMLXICJZCNPM-CQSZACIVSA-N 507.529 0.509 5 10 KCBE CCN1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870044308 NWMHFSUCAFATBM-CQSZACIVSA-N 508.517 0.848 5 10 KCBE CC(=O)N1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCOCCO)CC1 1870398817 ZSMQDEUSPVCZAO-UHFFFAOYSA-N 517.539 0.447 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 247865120 XHNMNLUMJHINIG-JCEAUZKGSA-N 670.577 0.038 5 10 KCBE O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 198688026 ZGXKJMKUDNFNLL-HSFUPAIVSA-N 510.372 0.651 5 10 KCBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861130631 YBBNREBYBIIPCF-VWGXWWAPSA-N 503.537 0.365 5 10 KCBE COCCN(CCOC)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCOCCO 1870398121 ITPGWLMFQAQXED-UHFFFAOYSA-N 522.555 0.878 5 10 KCBE COc1cc(O)c2c(=O)oc3cc(O[C@@H]4O[C@@H](CO)[C@H](OC(=O)CC(=O)O)[C@H](O)[C@@H]4O)cc(C)c3c2c1 1848438001 DHMROGTYLCDGQS-PAUGEPMTSA-N 520.443 0.173 5 10 KCBE CC(=O)NS(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1858627144 ZXGONRAOYPKGGF-UHFFFAOYSA-N 511.538 0.958 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 1867845518 HWWWDTGOUDDPFO-QMHKHESXSA-N 518.479 0.870 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O 575231617 LXUSBVSVBLRAJQ-NTYVJNGISA-N 756.667 0.166 5 10 KCBE CCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC 1772502402 BTBSGNCHEDEIJB-PMJZJFMMSA-N 721.853 0.356 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867807147 SWFHNMWPXUKQCC-UYAOXDASSA-N 516.551 0.762 5 10 KCBE COc1cc(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869763883 RWQTYWXUCOKLMG-INIZCTEOSA-N 507.544 0.123 5 10 KCBE CC(=O)N1CCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 1858658031 RPZOTSKHPZFUJW-UHFFFAOYSA-N 534.507 0.995 5 10 KCBE CCCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCNC=O)=C(N)O2 1864892357 GYRCGUMTLPPQKO-SFHVURJKSA-N 500.512 0.999 5 10 KCBE CCOCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865722771 ZLTFNNHSPNFMCE-MRXNPFEDSA-N 517.495 0.001 5 10 KCBE COCCOCC(=O)Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869974653 CCKKQWYFNMRHRN-SFHVURJKSA-N 523.572 0.474 5 10 KCBE CN1CCN(c2nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519799 ZBXQXZMMRAMLDU-UHFFFAOYSA-N 513.584 0.421 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867810761 WBQKEVWBUJULQF-HXUWFJFHSA-N 573.515 0.873 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1615168301 NVTQIDGQWGPKMN-UTBUEMAESA-N 527.508 0.964 5 10 KCBE COc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1869954692 GCQIJXIFXMXLEZ-UHFFFAOYSA-N 525.478 0.210 5 10 KCBE CC(=O)NCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645556 JSWWAYIXTPILDA-UHFFFAOYSA-N 508.469 0.557 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C1 1865736062 HXJTUHSMIJSJBY-GOEBONIOSA-N 513.507 0.489 5 10 KCBE CN1CCN([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867793239 PEZITFNKXKVDDD-WIOPSUGQSA-N 540.621 0.627 5 10 KCBE O=C(Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O)NCCN=c1c2ccccc2[nH]c2ccccc12 725380286 XPWDVDSCTAACAC-QZNHQXDQSA-N 505.531 0.484 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 1867795399 JAJNFFDWTNIZHT-OSPHWJPCSA-N 502.524 0.719 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCNC(C)=O)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870697032 UWTMTMQEYLEOFF-UHFFFAOYSA-N 503.512 0.751 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc1 1867793451 RUBDOSNKFAASCG-REWPJTCUSA-N 515.567 0.950 5 10 KCBE CC(=O)N1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519526 UOCABOYQGDLNLR-UHFFFAOYSA-N 501.529 0.143 5 10 KCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCOCCO)[nH]2)ccc1Cl 1871577897 GNPWMBFENTZMSN-UHFFFAOYSA-N 516.950 0.558 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788751 LNEIXMUCGKCDMK-HXUWFJFHSA-N 541.561 0.568 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867832360 BNBPLCYHCSWJNO-FCHUYYIVSA-N 530.538 0.707 5 10 KCBE Cc1c(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817949 OYSRCUVNKFHHAU-TZMCWYRMSA-N 529.553 0.789 5 10 KCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)ccc1[N+](=O)[O-] 1867874543 NRJKUDQKXFZXNF-ICSRJNTNSA-N 500.508 0.912 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 1772717781 DIGUUNRLVBJXKB-XYHGWMKKSA-N 966.128 0.889 5 10 KCBE in-vitro COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)C[C@@H]1O2 575232474 UAZIZEMIKKIBCA-RRIMZFGQSA-N 938.118 0.800 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@]2(O)C(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 888086365 IKUKTSWRXIBRQX-GRIRAODLSA-N 735.648 0.134 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867884630 YXHKHPMFRCATHD-OCCSQVGLSA-N 520.973 0.198 5 10 KCBE Cc1cc(C(=O)N=c2nc(N3CCC4(CC3)OCCO4)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869974322 DPYFHPJJPDLWHG-INIZCTEOSA-N 506.541 0.872 5 10 KCBE CN1CCN([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867793237 PEZITFNKXKVDDD-RCZVLFRGSA-N 540.621 0.627 5 10 KCBE COc1cccc(-c2nnc(CNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)c1 1867793531 ULJOSLFLNNBTOB-SFHVURJKSA-N 526.506 0.897 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832323 BDZVPWKJUCCAEQ-QZTJIDSGSA-N 505.415 0.870 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(N)=O 301055194 YHUKYRGKNPQLRF-PLXZFBFJSA-N 624.651 0.890 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1867806854 OCLNEUREPCKJAY-KRWDZBQOSA-N 524.552 0.823 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@@H](C2)O3)[C@H]1O 256116054 DIGUUNRLVBJXKB-WVIREYAMSA-N 966.128 0.889 5 10 KCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867788166 VJKYUGUVLOTSCZ-HIFRSBDPSA-N 513.598 0.638 5 10 KCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)c1 1858977462 PSLSERCNIPRNKL-UHFFFAOYSA-N 535.579 0.896 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 1867804468 IYPWBOQYMCZNJG-NRFANRHFSA-N 502.480 0.879 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCN(C)CC2)cc1 1867805416 CQNLSBKENWYSNC-RBBKRZOGSA-N 545.593 0.816 5 10 KCBE Cc1c(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867818559 TXPHBKQIVCQKOL-ZBFHGGJFSA-N 523.524 0.728 5 10 KCBE O=C(Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870074800 FETZAEFGOYUORL-OAHLLOKOSA-N 513.540 0.915 5 10 KCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865584339 DPBNPNZYPUKSJM-IBGZPJMESA-N 514.539 0.493 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867779552 HLJNKRHXTMKIKM-GOSISDBHSA-N 519.580 0.723 5 10 KCBE Nc1nc(O)c2nc(Nc3ccc4c(c3)Cc3cc([N+](=O)[O-])ccc3-4)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1 725414544 NPGDUUMPIDZXLY-CNTRQJEFSA-N 507.463 0.949 5 10 KCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732403 LSLJDXLBZOZTNU-JRPNMDOOSA-N 505.915 0.976 5 10 KCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870074816 FTFGANVHXLEPMY-QGZVFWFLSA-N 527.567 0.844 5 10 KCBE NC(=O)C1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871519056 GYUMMIVGEKEKPB-UHFFFAOYSA-N 501.529 0.176 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865736335 BQGPONMEUGZYSG-NHYWBVRUSA-N 505.915 0.571 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867810760 WBQKEVWBUJULQF-FQEVSTJZSA-N 573.515 0.873 5 10 KCBE CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 253612381 LXUSBVSVBLRAJQ-WEJURKBASA-N 756.667 0.166 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865720581 CGYYMZUNLGJRCP-QGZVFWFLSA-N 523.458 0.438 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867816727 GRYOYICGPBLAMR-SFHVURJKSA-N 531.478 0.654 5 10 KCBE 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 306120974 APKFDSVGJQXUKY-IATLUPDASA-N 924.091 0.712 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@@H](N)[C@@H]3O)C[C@@H]1O2 575232475 UAZIZEMIKKIBCA-UVHAOCEUSA-N 938.118 0.800 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1865716084 QYMFDXWDBSEPKJ-GOSISDBHSA-N 523.502 0.891 5 10 KCBE CN(C[C@H](O)CNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1ccccc1 1868046721 HYQNXZLNIUNTCT-OAHLLOKOSA-N 504.521 0.769 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619344 JBZWFHQBRUVPOV-UHFFFAOYSA-N 515.619 0.178 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493282 NXCQUUQIQOMIMT-ITYNRVHRSA-N 895.785 0.203 5 10 KCBE O=C(N[C@H](CO)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790793 AFVGZSCDGMMQEO-HXUWFJFHSA-N 511.535 0.223 5 10 KCBE COc1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869766326 OOTJDXIBEFBVTQ-IBGZPJMESA-N 567.665 0.857 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1870048638 OCCKYGDMDLNIRS-CYBMUJFWSA-N 517.524 0.771 5 10 KCBE COc1cc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1870062895 WFAQVZDAYIFUCJ-LBPRGKRZSA-N 510.529 0.777 5 10 KCBE O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 96457225 OPIBDBOQBBDTIV-VWNXMTODSA-N 514.627 0.719 5 10 KCBE Cc1cc(C(=O)N=c2nc(N3CCN(c4ncccn4)CC3)[nH]n2[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870075156 OYEGPLWACOKTDD-KRWDZBQOSA-N 527.567 0.645 5 10 KCBE N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 106359997 UMXUPKWQORIVFR-RTWAWAEBSA-N 584.638 0.840 5 10 KCBE COc1cc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)c([N+](=O)[O-])cc1OC 1869763487 LLXFNWOTFUOHIT-HSZRJFAPSA-N 535.598 0.760 5 10 KCBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 1872642955 FOPMYAVFPRQFMY-UHFFFAOYSA-N 520.480 0.510 5 10 KCBE CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2079743774 LXUSBVSVBLRAJQ-CYSBKADJSA-N 756.667 0.166 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865726287 VOLKIYJYKRSSNO-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867790885 LCUBZSQTIAQRLO-QZTJIDSGSA-N 569.662 0.799 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2037545218 DQYZTJGYJYAGFK-XHGIRTFPSA-N 735.648 0.746 5 10 KCBE Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O)c4c4oc(=O)c1c2c34 257655845 YEHWMDOPGZMLDO-NMCKTFDWSA-N 626.567 0.716 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493204 DHMBGXFVGCHGGL-FWYLODKDSA-N 953.865 0.955 5 10 KCBE Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)[nH]o1 1869748307 JMBZPECMLABTQL-YJBOKZPZSA-N 500.512 0.898 5 10 KCBE Cn1nnc2c(N3CCN(C(=O)[C@H]4CCCCN4S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)ncnc21 1891914552 NDBAWOGSYYAVTD-QGZVFWFLSA-N 515.556 0.559 5 10 KCBE CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2079743776 LXUSBVSVBLRAJQ-PSNCVXAZSA-N 756.667 0.166 5 10 KCBE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794844 YMKKWLFOPYEEGF-STQMWFEESA-N 530.581 0.590 5 10 KCBE Cc1c(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867818557 TXPHBKQIVCQKOL-GOEBONIOSA-N 523.524 0.728 5 10 KCBE CC(=O)N1CCN(c2nc(=NCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871575473 CVCAWTRFVVDQEE-UHFFFAOYSA-N 505.967 0.433 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2037545261 NAPXHRWKTGFZTP-SDLMSSDNSA-N 757.651 0.593 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Oc3ccccc3[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612367 KZSYMFJBBGZUFS-HSRUNTJUSA-N 757.651 0.593 5 10 KCBE 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 575625664 APKFDSVGJQXUKY-JYWVRUODSA-N 924.091 0.712 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 1867806682 LNQGGUVFOYKBCH-CTNGQTDRSA-N 515.567 0.808 5 10 KCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867795708 OKZARIAVKXXZTG-RXVVDRJESA-N 529.550 0.670 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793641 WCRLLRYAXYTKNB-REWPJTCUSA-N 571.587 0.441 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867783680 JIFWPDVCNQBOGM-QUCCMNQESA-N 584.051 0.737 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867782225 RCLBXFRNTJYBQI-NVXWUHKLSA-N 555.635 0.409 5 10 KCBE CCCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCC(=O)NCC(=O)OC 1867789753 HBDVWGFWJMNWJI-KRWDZBQOSA-N 507.544 0.516 5 10 KCBE CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886981 ZNWNJYFEOLWFHC-JSJNYSNDSA-N 576.607 0.683 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CCCCC2)nn1[C@H]1CCS(=O)(=O)C1 1870048273 ICBYRQDOOPHXRI-AWEZNQCLSA-N 517.524 0.771 5 10 KCBE Cc1c(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCN3CCOCC3)[nH]2)cccc1[N+](=O)[O-] 1871644185 OZNRUUGNVYNICN-UHFFFAOYSA-N 500.560 0.763 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612265 FPUPORSBEXGRKK-CQXOOTTNSA-N 757.651 0.593 5 10 KCBE CC[C@H](C)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757986 MKXGEQFJRLKOAB-LVXARBLLSA-N 574.679 0.969 5 10 KCBE COCCN(CCOC)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706000 NMHFHKNGVMHKSR-UHFFFAOYSA-N 518.575 0.899 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)cc1 1867805992 GDQZYJQAAIFQQS-PZJWPPBQSA-N 532.550 0.901 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868135012 IXYWPSIPBFXSOC-INIZCTEOSA-N 511.534 0.933 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865720460 AZEPTAUYEFHNFY-KRWDZBQOSA-N 500.556 0.925 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836147 GKETXIJPNZHCJL-CYBMUJFWSA-N 515.526 0.401 5 10 KCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867795707 OKZARIAVKXXZTG-NQIIRXRSSA-N 529.550 0.670 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870071903 ASLXTHQLJUGXSQ-MRXNPFEDSA-N 507.529 0.499 5 10 KCBE CCN1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871643908 OMBFAOCLIWUEPY-UHFFFAOYSA-N 501.573 0.925 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1Nc1ccccc1 253493837 VMLZOUYCHMQKBP-KLHQQGLFSA-N 705.670 0.574 5 10 KCBE 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=CC=CC=C/C=C\C=C/[C@H](C)[C@@H](O)[C@H]1C)O2 1083798890 APKFDSVGJQXUKY-UBOWVNQFSA-N 924.091 0.712 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cc1[N+](=O)[O-] 1866903866 ZFIBESDOWDAALK-LEWJYISDSA-N 561.617 0.642 5 10 KCBE CCS(=O)(=O)c1ccc(CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867793536 UMIVQSJSEZKQIL-IBGZPJMESA-N 520.564 0.632 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871708553 QUTBZPFBUPELJQ-UHFFFAOYSA-N 503.545 0.235 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1cccs1)=C(N)O2 1865716680 GJWMCVRJCPVQJN-INIZCTEOSA-N 527.515 0.836 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867780369 PCWSCRULLOUHOC-MRXNPFEDSA-N 525.609 0.784 5 10 KCBE C[C@H](O)Cn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870590386 UWRRFBQANPFEDP-KRWDZBQOSA-N 504.540 0.693 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 2331164122 DJCWZMPOQVOOAZ-SFHVURJKSA-N 503.541 0.866 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1865715870 LXQLSCUQHTWYPM-KRWDZBQOSA-N 521.486 0.790 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865725417 IVMYQWDQSXHQBW-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE CC(C)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865726802 AQURMPPPZZWIOQ-INIZCTEOSA-N 501.496 0.620 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@@H](CO)NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1OC 1867807517 ZWYOQLRHAMGLMK-PKOBYXMFSA-N 574.587 0.927 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867847999 VWGAUJWOWJVHMB-PXNSSMCTSA-N 545.505 0.821 5 10 KCBE O=C(COc1cn(CCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O)N1CCOCC1 1871033721 JRIXOVHNQGRHHR-UHFFFAOYSA-N 501.540 0.938 5 10 KCBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871619271 GALHXIDGBRXENP-UHFFFAOYSA-N 502.557 0.618 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865728083 OSFDNJONLBDBRW-MAUKXSAKSA-N 521.486 0.643 5 10 KCBE O=C(O)C=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 2325702776 RGOFZXXCKYXLSX-UHFFFAOYSA-N 518.508 0.467 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616588695 NAPXHRWKTGFZTP-YCRBXPJOSA-N 757.651 0.593 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867782747 WILBKOZQQIKYNA-GOSISDBHSA-N 570.024 0.612 5 10 KCBE CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790767 ZSDWIKOAHZPVGZ-HRAATJIYSA-N 541.561 0.949 5 10 KCBE CCc1cccc(OC(=O)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 1867788696 KHIFLBDKIHZYTD-IBGZPJMESA-N 500.508 0.806 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1=O 1867834125 QYENVYFOBJJRHV-ROUUACIJSA-N 517.451 0.740 5 10 KCBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871646086 ULRCUJXPRYQTKN-UHFFFAOYSA-N 513.584 0.687 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865733058 UCNPQPUOSKQPOQ-KRWDZBQOSA-N 515.523 0.879 5 10 KCBE C[C@@H]1CCn2cc(CCNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2C1 1867788311 FIMMBNANBHJNQL-APWZRJJASA-N 500.556 0.660 5 10 KCBE CC[C@@H](C)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757988 MKXGEQFJRLKOAB-RLWLMLJZSA-N 574.679 0.969 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870071902 ASLXTHQLJUGXSQ-INIZCTEOSA-N 507.529 0.499 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865731955 CFTNZEXFPDTJPX-QGZVFWFLSA-N 515.523 0.879 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867804798 SQFDZMQNBQZDJN-CYBMUJFWSA-N 500.530 0.259 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867831279 UGCFNGLUCPVSHJ-SFHVURJKSA-N 519.442 0.779 5 10 KCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865739682 UENWIAYHMOJLHP-MRXNPFEDSA-N 518.958 0.893 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867796201 DFCOAURDQGNFMN-GOSISDBHSA-N 515.523 0.503 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795015 BOUNBTCXBGTHOB-FQEVSTJZSA-N 557.560 0.723 5 10 KCBE CCN1CCN(C(C)(C)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1867790823 APZWTNHJOOOEGX-LJQANCHMSA-N 506.604 0.054 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865727258 GZSVSZZDWWMGAA-CRAIPNDOSA-N 521.486 0.643 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])OC1=O 1867807393 XYGWGTIETJKQQS-WBVHZDCISA-N 532.506 0.849 5 10 KCBE Cc1c(C(=O)N[C@@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869773726 FJOGCNVJNIMBPB-JOCHJYFZSA-N 534.570 0.959 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@@]3(O)C[C@H](O)[C@H](C(=O)O)[C@@H](C2)O3)[C@@H]1O 256116049 DIGUUNRLVBJXKB-VCVCRJCRSA-N 966.128 0.889 5 10 KCBE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])c(C(=O)NC(C)C)c2)cc1 504398501 DYZFADUXBXXXMO-UKILVPOCSA-N 687.780 0.697 5 10 KCBE NS(=O)(=O)c1ccc(CN2C(=O)C(NCCN3CCOCC3)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863591380 AISIZJIDNOQXSV-UHFFFAOYSA-N 515.548 0.444 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865729016 WMZADIRJGVHGDB-BCRMMHBESA-N 523.546 0.887 5 10 KCBE CN(C[C@@H](O)CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccs1 1868050449 MUJSWBMLZQGMQW-AWEZNQCLSA-N 510.550 0.830 5 10 KCBE COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1=O 1873773184 WFTRXHZPNIDPLP-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@]2(O)C(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 888086366 IKUKTSWRXIBRQX-JFVMXBDASA-N 735.648 0.134 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])OC1=O 1867807391 XYGWGTIETJKQQS-NVXWUHKLSA-N 532.506 0.849 5 10 KCBE CN(C)c1nc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1869963806 CPKFIIPPHWPTQI-GFCCVEGCSA-N 505.513 0.627 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(N(C)C)CC3)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706400 AZYZMJINUXEXHR-UHFFFAOYSA-N 501.592 0.650 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1775953992 FPUPORSBEXGRKK-YYNGHTIDSA-N 757.651 0.593 5 10 KCBE in-vitro O=C(c1c([C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2[N+](=O)[O-])cc2c(c1OCc1ccccc1)OCO2)N1CCCC1 1848441650 MZEXDLRSZXHLBH-NKGCDPCKSA-N 516.503 0.416 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887490 SSKJMHLJNHUFHI-NLEAXPPASA-N 605.649 0.012 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865720463 AZEPTAUYEFHNFY-QGZVFWFLSA-N 500.556 0.925 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1866807804 AORCEQWBOMFJEM-QGZVFWFLSA-N 508.509 0.841 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)Nc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784601 PEYLGKIMRKWTTP-SFHVURJKSA-N 505.553 0.844 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OC1=O 1867793479 SIKGLNGXXGVTNU-WOJBJXKFSA-N 557.560 0.668 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820547 FCOVVSUCMSPGMT-GOSISDBHSA-N 515.479 0.948 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCOCC2)cc1 1867833249 KPRQDYPFMYJQGD-NHCUHLMSSA-N 517.495 0.792 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)c([N+](=O)[O-])cc1OC 1867806797 NIBXNWLITIYVGR-NVXWUHKLSA-N 504.496 0.851 5 10 KCBE NS(=O)(=O)c1ccc(CCN2C[C@@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873015675 BSIPGQFIGVDUGW-BZSNNMDCSA-N 529.575 0.441 5 10 KCBE O=C([C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCCC2)CC1 1892411495 INVIVKUZBKYDQU-IBGZPJMESA-N 515.614 0.623 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865723079 HDJKSMFRUPQMTC-SFHVURJKSA-N 517.502 0.922 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724252 JQOKZZIXJHOKPW-KRWDZBQOSA-N 503.475 0.880 5 10 KCBE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1 2331755397 REUXUQXZQOGDEW-SFHVURJKSA-N 505.557 0.312 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2332040953 OVGVHSXXWIAEKV-QGZVFWFLSA-N 503.541 0.900 5 10 KCBE CCOC(=O)[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 1865737003 REBXVCOLMVFEMU-CZUORRHYSA-N 529.506 0.194 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867770886 GZEWIDZNXXTSKD-TZMCWYRMSA-N 520.973 0.198 5 10 KCBE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794843 YMKKWLFOPYEEGF-QWHCGFSZSA-N 530.581 0.590 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1866901821 BQCWONUAYWSTPX-IRLDBZIGSA-N 561.617 0.642 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 253612378 LXUSBVSVBLRAJQ-LGCRNOMHSA-N 756.667 0.166 5 10 KCBE O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(S(=O)(=O)NC(=O)NCCN2CCOCC2)cc1 1858975623 ADKUQQSPMHARRN-UHFFFAOYSA-N 519.580 0.816 5 10 KCBE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867803331 TUZBPFQIIVCKIQ-HNNXBMFYSA-N 538.579 0.918 5 10 KCBE CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1 104920203 UEQPZERYXCGKJV-GGAORHGYSA-N 502.616 0.621 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820095 ALFHCRYMDKDQKR-QGZVFWFLSA-N 509.497 0.299 5 10 KCBE Cc1c(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869774648 LHOLCCKCXNDWSX-MRXNPFEDSA-N 506.516 0.323 5 10 KCBE O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869789759 LIJDMAFXBNIOBG-XMMPIXPASA-N 584.586 0.943 5 10 KCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865738009 ZKGZHJRCLGTUHG-SJKOYZFVSA-N 513.507 0.717 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 1867804469 IYPWBOQYMCZNJG-OAQYLSRUSA-N 502.480 0.879 5 10 KCBE CCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865719541 YLYXHPJZCMLHKN-MRXNPFEDSA-N 501.496 0.764 5 10 KCBE Cn1c(CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1867788566 HTIGLMASWJJGEZ-SFHVURJKSA-N 510.507 0.085 5 10 KCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867803211 BGWXSKLMUIQTSB-QAPCUYQASA-N 538.579 0.918 5 10 KCBE O=C(N=c1nc(N2CCN(c3ncccn3)CC2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870075092 NXWYMLNMMANSSJ-QGZVFWFLSA-N 513.540 0.337 5 10 KCBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNS(=O)(=O)c1cccc2nonc12 1873694636 GITBOMCKCVDROZ-UHFFFAOYSA-N 502.465 0.602 5 10 KCBE CCCN1CCN(c2ccc(N3CCN(C(=O)CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)nn2)CC1 1891484872 FMTNYMSDEJFOFO-UHFFFAOYSA-N 522.566 0.862 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865726286 VOLKIYJYKRSSNO-INIZCTEOSA-N 513.507 0.489 5 10 KCBE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794841 YMKKWLFOPYEEGF-CHWSQXEVSA-N 530.581 0.590 5 10 KCBE CC(=O)O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97977662 NEQWPHZHKFBKPE-SBUPXQENSA-N 613.525 0.730 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575231400 FPUPORSBEXGRKK-BOYJZAMXSA-N 757.651 0.593 5 10 KCBE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)c1 1858650755 QCOAQVRIUYGREH-UHFFFAOYSA-N 521.552 0.854 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1=O 1867834123 QYENVYFOBJJRHV-MSOLQXFVSA-N 517.451 0.740 5 10 KCBE CSCC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872606130 OKLXKSBLZLGGDI-OAHLLOKOSA-N 502.596 0.959 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(Cc2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792062 IPIKRLFOQVHHKJ-VQTJNVASSA-N 527.534 0.659 5 10 KCBE CCN(CC)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1870057803 BILCRFYPASEAKA-LBPRGKRZSA-N 505.513 0.627 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1 1867883597 OEYWPCTZFOAPTD-RHSMWYFYSA-N 549.389 0.790 5 10 KCBE COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 1873772912 DLJAXXMXGZIWNY-CQSZACIVSA-N 509.475 0.485 5 10 KCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867788167 VJKYUGUVLOTSCZ-UKRRQHHQSA-N 513.598 0.638 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CCCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1870048274 ICBYRQDOOPHXRI-CQSZACIVSA-N 517.524 0.771 5 10 KCBE COCCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870395764 CFUBJRGGVSESHZ-UHFFFAOYSA-N 503.556 0.920 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616587727 NAPXHRWKTGFZTP-FXXVSTTHSA-N 757.651 0.593 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867770881 GZEWIDZNXXTSKD-GXTWGEPZSA-N 520.973 0.198 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832320 BDZVPWKJUCCAEQ-MSOLQXFVSA-N 505.415 0.870 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 642811115 DIGUUNRLVBJXKB-ZBUDNTLESA-N 966.128 0.889 5 10 KCBE C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1872270962 BJYYCUYNDLJKMN-INIZCTEOSA-N 504.569 0.850 5 10 KCBE CCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC 1772502404 BTBSGNCHEDEIJB-SMILOVMPSA-N 721.853 0.356 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1867781517 BWNMVLUQAYVTAS-INIZCTEOSA-N 519.580 0.946 5 10 KCBE N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1 85574885 KOXMDCXAOGQNDD-FDFHNCONSA-N 538.609 0.761 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])CC1 1865714185 NJPSOMBSZBSFBJ-MRXNPFEDSA-N 528.522 0.424 5 10 KCBE CN(C[C@@H](O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccc(Cl)c1 1868050833 UHKAOKORWQNPBV-AWEZNQCLSA-N 510.912 0.642 5 10 KCBE CC(C)[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757962 KXUVOZXVUDTLAQ-QHCPKHFHSA-N 518.615 0.808 5 10 KCBE Cn1nnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCOCCO 1870248631 OANVXWRFRXZKMD-UHFFFAOYSA-N 505.513 0.599 5 10 KCBE NS(=O)(=O)c1ccc(CCNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)cc1 1863602673 ZMZYVPSEVWVCHA-UHFFFAOYSA-N 501.521 0.291 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865734605 MOIRBMRHWJWNHU-GOSISDBHSA-N 519.518 0.431 5 10 KCBE CN1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCN2CCOCC2)CC1 1870397796 UDYWNKDBMCPPFB-UHFFFAOYSA-N 514.583 0.854 5 10 KCBE CN(C)[C@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867791748 GTGMNSNHWFMHGP-GHTZIAJQSA-N 529.550 0.670 5 10 KCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)ccc1[N+](=O)[O-] 1867874542 NRJKUDQKXFZXNF-AZUAARDMSA-N 500.508 0.912 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870067192 SQRAXNCGOMCGOT-ZVVFDCPKSA-N 503.541 0.900 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867834641 VESQUDGTVSREIL-AEFFLSMTSA-N 559.941 0.045 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256098055 DKPBYCZUIMBUTO-KNJMJIDISA-N 514.396 0.965 5 10 KCBE Cc1c(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869774647 LHOLCCKCXNDWSX-INIZCTEOSA-N 506.516 0.323 5 10 KCBE COc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)ccc1[N+](=O)[O-] 1858977299 BNORGXYQHODDBK-UHFFFAOYSA-N 535.579 0.896 5 10 KCBE O=C(COc1cn(CCCn2ccnc2)c(CN(CCO)CCO)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870398467 GPJIOPGLUQTWSX-UHFFFAOYSA-N 514.539 0.847 5 10 KCBE NS(=O)(=O)c1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873016484 QSAIKVBMNXORRO-SOUVJXGZSA-N 501.521 0.403 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)CC1 1865714664 SHRSBLMYGGIRDY-INIZCTEOSA-N 528.522 0.424 5 10 KCBE CS(=O)(=O)Nc1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867833635 MYENXUFFUJIBSU-SFHVURJKSA-N 509.497 0.714 5 10 KCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 1867873984 KWLNHNJWGWKHHC-AEFFLSMTSA-N 528.971 0.445 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788597 IDSBUWRHDCGESY-JOCHJYFZSA-N 599.597 0.493 5 10 KCBE COc1cc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc(OC)c1OC 1867791415 DMSSHEXMOUPXGZ-KNQAVFIVSA-N 575.619 0.967 5 10 KCBE COCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870358057 VADQMFVFMJDDDA-UHFFFAOYSA-N 517.583 0.993 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCN(C(C)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696206 APFFTQDMDZXUGZ-UHFFFAOYSA-N 503.512 0.439 5 10 KCBE O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33356603 LWOIBFXKWPXQFF-UHFFFAOYSA-N 545.574 0.690 5 10 KCBE CSCC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753632 JRXYYYGGSJDOLM-QFIPXVFZSA-N 592.719 0.676 5 10 KCBE CN(C)S(=O)(=O)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12 1615819473 ZTRJYOZEISVWFZ-GNVZTASGSA-N 515.592 0.929 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865723841 FHETWSAWSBHBGO-INIZCTEOSA-N 529.506 0.194 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCN(C)C)c(CN(CCO)CCO)cc2=O)c([N+](=O)[O-])c1 1870696186 ABLFFSKSGMVJSH-UHFFFAOYSA-N 507.544 0.131 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865723842 FHETWSAWSBHBGO-MRXNPFEDSA-N 529.506 0.194 5 10 KCBE NC(=O)CC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330669813 YBBNREBYBIIPCF-SFHVURJKSA-N 503.537 0.365 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793556 UVBXGPNUBOIBPU-INIZCTEOSA-N 525.584 0.078 5 10 KCBE CN(C[C@@H](O)CNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868046674 GCOKQPPQNCKRMM-ZDUSSCGKSA-N 510.550 0.830 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865721073 IVUNDKALQIPJPE-QGZVFWFLSA-N 500.556 0.925 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612370 KZSYMFJBBGZUFS-YFRIEXKISA-N 757.651 0.593 5 10 KCBE CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 585672285 KSRUSHLZXDIRNV-QZHFEQFPSA-N 504.592 0.409 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943008 KROZWYZTXBGRJG-JKSUJKDBSA-N 508.553 0.498 5 10 KCBE O=C(Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870074799 FETZAEFGOYUORL-HNNXBMFYSA-N 513.540 0.915 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 301055193 YHUKYRGKNPQLRF-PLWWPAAYSA-N 624.651 0.890 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869752951 GLIHBEPSOLLPKD-GOSISDBHSA-N 500.560 0.726 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCOCCO)c(CN3CCC(O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696812 PPYZKJHKIKZBSL-UHFFFAOYSA-N 520.539 0.748 5 10 KCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865585433 MSZSNLFBEJJRMM-IBGZPJMESA-N 500.512 0.239 5 10 KCBE CN(C)[C@@H](CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867791750 GTGMNSNHWFMHGP-RXVVDRJESA-N 529.550 0.670 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887462 NXIHRDNJQWUSLK-ZPOKTZCFSA-N 682.687 0.971 5 10 KCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 219432361 XAFLGZCJBUOOIP-PBGAUENZSA-N 518.571 0.694 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732610 PDXCMURQDNIAKC-GOSISDBHSA-N 507.503 0.708 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867793829 YZNLGSRIHAYRGP-IRLDBZIGSA-N 599.641 0.747 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 1869754080 ODFHGHQYCCNWML-OAHLLOKOSA-N 517.564 0.782 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867360480 KWEORVRTYQCCPU-AEFFLSMTSA-N 514.944 0.137 5 10 KCBE COc1ccccc1OC(=O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788587 IAQIBELLORSWCS-INIZCTEOSA-N 502.480 0.253 5 10 KCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867828912 YMJSOKGZJOOGKE-KRWDZBQOSA-N 523.524 0.809 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 256010858 XHNMNLUMJHINIG-KQVHECEQSA-N 670.577 0.038 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865723264 LXFAQVOUGPJWFQ-GOSISDBHSA-N 517.502 0.922 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867781677 GDJRNAZPPTVPQW-IEBWSBKVSA-N 549.606 0.348 5 10 KCBE NS(=O)(=O)c1ccc(CNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)cc1 1863597823 SMKVFEIDNWVKSG-UHFFFAOYSA-N 515.548 0.444 5 10 KCBE CN(C)c1ccc(NC(=O)CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867791719 GJJQGOQPGVUODB-LJQANCHMSA-N 514.539 0.343 5 10 KCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870398044 FPOLHDJNCBYRKS-UHFFFAOYSA-N 516.555 0.020 5 10 KCBE CN1C(=O)c2ccc(N3C[C@@H](C(=O)N4C[C@@H]5C[C@@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)CC3=O)cc2C1=O 1873016329 NMBVDBFASMMPMX-KKUMJFAQSA-N 505.487 0.981 5 10 KCBE Cn1cc(N2CCC(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O 1892108410 RWYJRLQAGQSYLA-IBGZPJMESA-N 534.595 0.321 5 10 KCBE CCOC(=O)[C@@H](NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 20609151 WQHOWILXYNVKPQ-PMACEKPBSA-N 508.509 0.742 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 1867832280 AXUDXPNENJXTDZ-VGOFRKELSA-N 504.452 0.561 5 10 KCBE Cn1cc(N2CCC(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O 1892108411 RWYJRLQAGQSYLA-LJQANCHMSA-N 534.595 0.321 5 10 KCBE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=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 256012838 YDPNOCSPPGFBPX-GLWCMYJFSA-N 628.639 0.591 5 10 KCBE in-vitro Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)ccc1[N+](=O)[O-] 1867874545 NRJKUDQKXFZXNF-UYAOXDASSA-N 500.508 0.912 5 10 KCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 1865732402 LSLJDXLBZOZTNU-HFAKWTLXSA-N 505.915 0.976 5 10 KCBE Cc1c(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cccc1[N+](=O)[O-] 1871643144 BHQDPWSGNHLGGB-UHFFFAOYSA-N 502.557 0.992 5 10 KCBE CN(C)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865739681 UENWIAYHMOJLHP-INIZCTEOSA-N 518.958 0.893 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 1870016255 WHTPKSUQKHPEME-AWEZNQCLSA-N 513.964 0.566 5 10 KCBE C[C@@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@@H]1O 1307451022 APKFDSVGJQXUKY-JIUGHYAVSA-N 924.091 0.712 5 10 KCBE Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 1867873986 KWLNHNJWGWKHHC-SJLPKXTDSA-N 528.971 0.445 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)cc1[N+](=O)[O-] 1869805621 HQEFTLKVOODKBG-QFIPXVFZSA-N 534.570 0.959 5 10 KCBE COCCN(CCOC)c1nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870078227 DLENDAXFMVWEEN-CQSZACIVSA-N 527.516 0.806 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867835718 XMLMPRHFSSYGDJ-PKOBYXMFSA-N 523.524 0.809 5 10 KCBE COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](N)Cc1ccccc1 255962536 AMGPHHBMTKEMRD-GTHURBTFSA-N 931.020 0.892 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1615168302 NVTQIDGQWGPKMN-YHDCXSKOSA-N 527.508 0.964 5 10 KCBE COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 1873772911 DLJAXXMXGZIWNY-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE NS(=O)(=O)c1ccc(CNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863594691 CSTJJULCYBXEFI-UHFFFAOYSA-N 529.575 0.834 5 10 KCBE O=C(NCC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1869741658 SQWFIFLWSSZCEZ-UHFFFAOYSA-N 502.572 0.318 5 10 KCBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871644344 XOUILCCCHGVHEA-UHFFFAOYSA-N 500.541 0.159 5 10 KCBE COCCNC(=O)COc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870526184 VTTNFPZOXGEPTR-GOSISDBHSA-N 503.556 0.601 5 10 KCBE CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867795706 OKZARIAVKXXZTG-GHTZIAJQSA-N 529.550 0.670 5 10 KCBE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865736834 PWHIKISSNQVNMA-SNUQEOBHSA-N 527.534 0.963 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820549 FCOVVSUCMSPGMT-SFHVURJKSA-N 515.479 0.948 5 10 KCBE Cn1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870074047 LZHWLEMTQGNRBQ-UHFFFAOYSA-N 520.510 0.855 5 10 KCBE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCCN1CCOCC1 1870397736 QYZDVBPXMNUZHR-UHFFFAOYSA-N 503.556 0.920 5 10 KCBE C[C@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)O1 1865733195 VMNSXHKAIIYCBQ-BWACUDIHSA-N 529.506 0.094 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708502 OXQUSQOYXLKXQH-UHFFFAOYSA-N 508.543 0.645 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H]2CN(Cc3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807113 SDCNGJUWXDRSKD-NVXWUHKLSA-N 502.480 0.840 5 10 KCBE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])c(C(=O)NC(C)C)c2)cc1 504398500 DYZFADUXBXXXMO-NOZRDPDXSA-N 687.780 0.697 5 10 KCBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870015919 REUXUQXZQOGDEW-HNSSHINMSA-N 505.557 0.312 5 10 KCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867787317 GXMVIGZSCOQVTL-MRXNPFEDSA-N 527.987 0.842 5 10 KCBE O=C(NCCc1nn2cnnc2s1)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 1860866924 PLPFHPVLRRNPQN-KRWDZBQOSA-N 500.541 0.894 5 10 KCBE O=C(N=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccncc1 1869974791 DLVOBTKVVGVSFJ-LJQANCHMSA-N 512.552 0.942 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832262 ATLJTQMLBQIVEL-NHCUHLMSSA-N 501.496 0.653 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1866804630 SLAZQEVOSFHFMJ-MRXNPFEDSA-N 511.509 0.900 5 10 KCBE NS(=O)(=O)c1ccc(CCN=c2nc(N3CCC(O)CC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871519065 HMNXZWCRNFZAOE-UHFFFAOYSA-N 514.568 0.630 5 10 KCBE CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 585672296 TVMZTTLWRJQMIM-FHWLQOOXSA-N 506.608 0.559 5 10 KCBE O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CCN(c3ncccn3)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870074815 FTFGANVHXLEPMY-KRWDZBQOSA-N 527.567 0.844 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867790515 KCJNEORNJQSNOR-PZJWPPBQSA-N 563.633 0.738 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@H](CO)NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1OC 1867807516 ZWYOQLRHAMGLMK-MJGOQNOKSA-N 574.587 0.927 5 10 KCBE Cc1cc(C(=O)N=c2nc(N3CCC4(CC3)OCCO4)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1869974323 DPYFHPJJPDLWHG-MRXNPFEDSA-N 506.541 0.872 5 10 KCBE COCCN(CCOC)c1nc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870078948 LHRMEZPPKSWJOQ-HNNXBMFYSA-N 512.545 0.906 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836251 IKNVYYFQYSEOGF-ZBFHGGJFSA-N 523.524 0.728 5 10 KCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(c4ccccn4)CC3)nc(=NCCN3CCOCC3)[nH]2)c1 1871517875 HJQGRSGFCQRZRR-UHFFFAOYSA-N 506.571 0.833 5 10 KCBE O=C(O)CNC(=O)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2325423558 IODDLBQRKKJRJK-UHFFFAOYSA-N 519.492 0.113 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1cccnc1)=C(N)O2 1865717283 SIPGXPQMVMVGIJ-QGZVFWFLSA-N 522.474 0.169 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867791728 GPOPFHQGWKFOTB-OZXSUGGESA-N 570.647 0.636 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865728084 OSFDNJONLBDBRW-QAPCUYQASA-N 521.486 0.643 5 10 KCBE CCN(CCO)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871643595 JLAKPWYPEJPOPX-UHFFFAOYSA-N 516.584 0.796 5 10 KCBE O=C([C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCSCC1 1892260809 QTYBAXXPKDYRDA-RTBURBONSA-N 512.610 0.941 5 10 KCBE O=C(Nn1c(=O)c2cc3c(=O)n(NC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c3cc2c1=O)c1ccc([N+](=O)[O-])cc1 105540120 DJLSQPXKWIILRN-UHFFFAOYSA-N 544.392 0.497 5 10 KCBE C[C@H](O[P@](=O)(O)N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(O)nc32)[C@@H](O)[C@H]1O)c1ccccc1[N+](=O)[O-] 725424973 RPUSBABQVMLNSK-OBLLBARMSA-N 672.330 0.467 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1867836248 IKNVYYFQYSEOGF-GDBMZVCRSA-N 523.524 0.728 5 10 KCBE Cn1nc(N2CCN(c3ncccn3)CC2)nc1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870073658 BVRAVFRINCBOIC-UHFFFAOYSA-N 520.510 0.855 5 10 KCBE Cc1sc2ncn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(C)CC1 4760959 YLRMQORPNGEBRY-UHFFFAOYSA-N 575.673 0.960 5 10 KCBE C[C@H](O[P@](=O)(O)N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-] 725424971 RPUSBABQVMLNSK-HGXVYCQQSA-N 672.330 0.467 5 10 KCBE O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1869975956 XWADGNMMSJFTPX-ZWKOTPCHSA-N 505.557 0.990 5 10 KCBE Cc1c([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCO)C(=O)[C@H]32)c(=O)n(-c2ccccc2)n1C 1088591822 FSOAOVKXZOLGEN-YHZQYDDPSA-N 549.540 0.697 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867783681 JIFWPDVCNQBOGM-UYAOXDASSA-N 584.051 0.737 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)c([N+](=O)[O-])cc1OC 1867806798 NIBXNWLITIYVGR-RDJZCZTQSA-N 504.496 0.851 5 10 KCBE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1892051356 SLBZGOQCJTYPMN-UHFFFAOYSA-N 520.506 0.910 5 10 KCBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330592509 LKMLWRXMVJFKSS-LJQANCHMSA-N 503.537 0.365 5 10 KCBE CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 642886966 SVDPRCWUGMJJJZ-LJQQEDJASA-N 928.018 0.591 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865720408 ADVQFPSMWCWQON-KRWDZBQOSA-N 500.556 0.925 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870072637 ISHBIQGXVPSZCQ-MRXNPFEDSA-N 521.556 0.807 5 10 KCBE CCOC(=O)[C@@H](NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 20609153 WQHOWILXYNVKPQ-VQTJNVASSA-N 508.509 0.742 5 10 KCBE COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](N)Cc1ccccc1 255962537 AMGPHHBMTKEMRD-XPMZPINFSA-N 931.020 0.892 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867783380 IAAYZDBUXVICCL-AZUAARDMSA-N 549.606 0.084 5 10 KCBE COCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CCN(CCO)CC1 1870696738 LMGHEKUPCURBLP-UHFFFAOYSA-N 519.555 0.539 5 10 KCBE NS(=O)(=O)c1ccc(CCNC(=O)Cc2nonc2OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1872654862 AIGHGBCUHSIKFP-UHFFFAOYSA-N 519.492 0.972 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 613839038 DIGUUNRLVBJXKB-UNNUDTSCSA-N 966.128 0.889 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794176 HGUPDEZAVZIHAD-GFCCVEGCSA-N 516.554 0.201 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575231394 FPUPORSBEXGRKK-AMTVLAPGSA-N 757.651 0.593 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 1548337515 DIGUUNRLVBJXKB-RJHPRVFPSA-N 966.128 0.889 5 10 KCBE CCCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865585373 MCWKOLJXKXVUBI-FQEVSTJZSA-N 528.566 0.883 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1866591584 CFNBLXZXMSTCIG-LJQANCHMSA-N 521.552 0.269 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867833951 BPGUREXQTKQLQY-HZPDHXFCSA-N 529.553 0.871 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867796216 CGFUAQVBGDXALR-IEBWSBKVSA-N 521.596 0.967 5 10 KCBE COCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870354671 NSPPTMCPLBKQQP-UHFFFAOYSA-N 503.556 0.603 5 10 KCBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC4(CC3)OCCO4)nc(=NCCCN3CCOCC3)[nH]2)c1 1871521061 VJVMFAGRLPTXCK-UHFFFAOYSA-N 500.560 0.845 5 10 KCBE CC(=O)N[C@@H](C)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858975359 XYHJRCDDYQOQBU-ZDUSSCGKSA-N 536.523 0.988 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867845028 FVDDPIILLYCXES-VQTJNVASSA-N 515.523 0.962 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1866807803 AORCEQWBOMFJEM-KRWDZBQOSA-N 508.509 0.841 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867782224 RCLBXFRNTJYBQI-DOTOQJQBSA-N 555.635 0.409 5 10 KCBE O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868633336 QTURIKBOIYPFPR-OAQYLSRUSA-N 550.615 0.634 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 613839040 DIGUUNRLVBJXKB-WOIJPCKRSA-N 966.128 0.889 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2=O)cc1OC 1867832855 HIZGTZQHKVMGEM-UZLBHIALSA-N 559.532 0.818 5 10 KCBE CC(C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255962837 APPSYVHVOCTIDH-ZCEQCUDRSA-N 686.675 0.436 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887463 NXIHRDNJQWUSLK-ZZQRAECTSA-N 682.687 0.971 5 10 KCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721430 ROYFNCVVMGFYQP-INIZCTEOSA-N 502.528 0.241 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732305 JEZJVNUYDGSVNO-SFHVURJKSA-N 507.503 0.708 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867909672 ATEWMZHVGYXVBA-RDTXWAMCSA-N 514.944 0.137 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869740083 CFUSRYPHWNMTCJ-IBGZPJMESA-N 516.599 0.706 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 1869803289 HNMZTERQIZNYSA-UHFFFAOYSA-N 520.543 0.713 5 10 KCBE COc1ccccc1OC(=O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788588 IAQIBELLORSWCS-MRXNPFEDSA-N 502.480 0.253 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792018 HZLDVMFBMGZFEH-PMACEKPBSA-N 545.524 0.798 5 10 KCBE COc1cccc(N2C[C@H](C(=O)NCCNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2=O)c1 1873696412 ZBBVHMWESLRQGC-CQSZACIVSA-N 509.475 0.485 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867793830 YZNLGSRIHAYRGP-RBBKRZOGSA-N 599.641 0.747 5 10 KCBE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCN1C(=O)CSC1=O 1870398939 SGCXIWCSQLKWHZ-UHFFFAOYSA-N 519.536 0.894 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccccn1)=C(N)O2 1865716565 CQVLHCNYRFCOPR-QGZVFWFLSA-N 522.474 0.169 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CSc3nnnn3C)cc2=O)c([N+](=O)[O-])c1 1870194213 HTEMXEJRWLHDSR-GFCCVEGCSA-N 505.513 0.979 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(c4ncccn4)CC3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708465 NNSNIIVYPKZILM-UHFFFAOYSA-N 509.531 0.040 5 10 KCBE CN(C)S(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892384285 XXBACXNRAHCJRD-IBGZPJMESA-N 517.630 0.773 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1775953989 FPUPORSBEXGRKK-AAPJUQKDSA-N 757.651 0.593 5 10 KCBE in-vitro O=C(COc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O)NC[C@@H]1CCCO1 1870546029 JAUFFTKZZZWIRS-QFIPXVFZSA-N 515.567 0.745 5 10 KCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865720825 FONHTVMGSSMOGG-OAHLLOKOSA-N 506.947 0.798 5 10 KCBE CC(=O)N1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576228 KOWCXLAKMXVZER-UHFFFAOYSA-N 519.994 0.823 5 10 KCBE CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869766645 RDCIJAPSMACNPD-IBGZPJMESA-N 535.598 0.904 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612405 NAPXHRWKTGFZTP-YFRIEXKISA-N 757.651 0.593 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1867348992 ILJPEYFHOCGNBI-HXUWFJFHSA-N 514.491 0.657 5 10 KCBE CC(=O)NCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858974715 AEEDXHHJJQCSTK-UHFFFAOYSA-N 536.523 0.990 5 10 KCBE O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 96457223 OPIBDBOQBBDTIV-ISKFKSNPSA-N 514.627 0.719 5 10 KCBE CSCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 1872605632 BCILAFLUFSRVQX-KRWDZBQOSA-N 502.596 0.959 5 10 KCBE CN(C)S(=O)(=O)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 1615819475 ZTRJYOZEISVWFZ-WKUQZLKGSA-N 515.592 0.929 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1866808491 VCVUASKHBRPBLY-GOSISDBHSA-N 508.509 0.841 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867834659 VMGLNEGXWIEVEZ-RBUKOAKNSA-N 531.478 0.512 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865722873 BJNSBNXBUZUOBG-SFHVURJKSA-N 517.502 0.922 5 10 KCBE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867794633 RQJPHAOQCCYFHE-GJZGRUSLSA-N 524.552 0.528 5 10 KCBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871643428 GLNVVYCNUXTUGA-UHFFFAOYSA-N 502.557 0.406 5 10 KCBE O=C(N[C@H](CO)C(=O)NCCCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792604 LEDAGQUSPRJIQE-GOSISDBHSA-N 500.508 1.000 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870066538 KILYWJOFVPOZQY-ZDUSSCGKSA-N 522.500 0.408 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724677 VBLGAAKRVFSAPL-QGZVFWFLSA-N 503.475 0.880 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612266 FPUPORSBEXGRKK-ICXDGAGCSA-N 757.651 0.593 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867791152 COFJSAPPCIXESU-DHLKQENFSA-N 557.604 0.720 5 10 KCBE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870015522 JYAWRSQGFBRFFT-SHCNBLLESA-N 505.557 0.312 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1cccnc1)=C(N)O2 1865717282 SIPGXPQMVMVGIJ-KRWDZBQOSA-N 522.474 0.169 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867790886 LCUBZSQTIAQRLO-ROUUACIJSA-N 569.662 0.799 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867783382 IAAYZDBUXVICCL-QUCCMNQESA-N 549.606 0.084 5 10 KCBE CC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867796217 CGFUAQVBGDXALR-MJGOQNOKSA-N 521.596 0.967 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867836458 MQQQXZJHSBRYMU-HNNXBMFYSA-N 543.942 0.992 5 10 KCBE NS(=O)(=O)c1ccc(CCN2C[C@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873015676 BSIPGQFIGVDUGW-OKZBNKHCSA-N 529.575 0.441 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867772471 YRIPHPFBNUNSKB-PBHICJAKSA-N 514.944 0.137 5 10 KCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867788400 YDVQMFPVMSSXNP-RDJZCZTQSA-N 507.569 0.577 5 10 KCBE CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 1911530892 MMGAZYBZFKKWNQ-UNMCSNQZSA-N 554.608 0.616 5 10 KCBE NC(=O)CC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330632737 IMQZXRFHUNZKGW-LJQANCHMSA-N 503.537 0.365 5 10 KCBE NS(=O)(=O)c1ccc(CCN2C(=O)C(NCCCNC=O)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863594166 FYEDBHLHWAZXHO-UHFFFAOYSA-N 501.521 0.291 5 10 KCBE CC(C)[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757961 KXUVOZXVUDTLAQ-HSZRJFAPSA-N 518.615 0.808 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871706020 OLHJISUGMKMLQD-UHFFFAOYSA-N 513.559 0.502 5 10 KCBE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869440671 SQPPAXBQXIOEKS-HXUWFJFHSA-N 507.613 0.839 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790785 ACMGDFSCDIPYSH-SFHVURJKSA-N 506.537 0.112 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792061 IPIKRLFOQVHHKJ-UXHICEINSA-N 527.534 0.659 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867807617 CLIDRCKCOBQTJF-OAHLLOKOSA-N 509.497 0.339 5 10 KCBE Cc1c(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867817944 OYSRCUVNKFHHAU-GXTWGEPZSA-N 529.553 0.789 5 10 KCBE COc1ccc(NCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCOCCO)cc1[N+](=O)[O-] 1871035345 HPLHTTHKYCNVBH-UHFFFAOYSA-N 506.512 0.624 5 10 KCBE CC[C@@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 301320188 SVDPRCWUGMJJJZ-PTXIDOPNSA-N 928.018 0.591 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867782227 RCLBXFRNTJYBQI-WBVHZDCISA-N 555.635 0.409 5 10 KCBE CC(C)C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869754932 UYRPOSSTTAHTGL-QHCPKHFHSA-N 574.679 0.969 5 10 KCBE NC(=O)C1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCOCCO)CC1 1870398100 HSEDCHIFZHSBKJ-UHFFFAOYSA-N 517.539 0.480 5 10 KCBE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 1865623357 AISLBNUEKMABRZ-CQSZACIVSA-N 512.445 0.884 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788859 NALQKDQQGBICFL-IBGZPJMESA-N 511.535 0.965 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCO)c(CN3CCC(C(N)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696834 QGOCORPRDLYUPD-UHFFFAOYSA-N 503.512 0.472 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@H]1OC(C)=O 2053606979 DERWUMPBVVAOCU-UVVBHOOISA-N 522.463 0.807 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865735030 WRINODLAPCSSAL-XJKSGUPXSA-N 501.496 0.156 5 10 KCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1 1869953778 FHSLWBWKDPDLDO-UHFFFAOYSA-N 523.506 0.981 5 10 KCBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871620984 HKNLLXSWAXJJLO-UHFFFAOYSA-N 516.584 0.660 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1873692844 AIQCQNIBWRCPGK-KRWDZBQOSA-N 507.503 0.862 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791917 RVFCXFXZQAOGCV-HXUWFJFHSA-N 557.560 0.274 5 10 KCBE C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](N)[C@H]1O 1082196236 YPGDXONAFDJWNU-OEIVYGSDSA-N 926.107 0.958 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@H](CO)NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])CC2=O)cc1OC 1867807514 ZWYOQLRHAMGLMK-HKUYNNGSSA-N 574.587 0.927 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1869971625 OQKKOZLHDIPOFB-CYBMUJFWSA-N 503.497 0.381 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865730617 DBEOIEOJPURCGI-SFHVURJKSA-N 505.487 0.977 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCOCCO)c(CN3CCOCC3)cc2=O)c([N+](=O)[O-])c1 1870696273 CWXRYZJKZGBZMX-UHFFFAOYSA-N 506.512 0.624 5 10 KCBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCn3ccnc3)[nH]2)ccc1Cl 1871577373 VTCHHHZEJJGCDY-UHFFFAOYSA-N 502.967 0.834 5 10 KCBE C[C@H](O[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O)[C@H]1O)c1ccccc1[N+](=O)[O-] 306146749 NYWDUFBXCCSYMK-FCCPNZONSA-N 672.330 0.770 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC[C@@H]1COc3ccccc3O1)=C(N)O2 1865727476 ITZBWCICJHSYPD-ACJLOTCBSA-N 521.486 0.643 5 10 KCBE NC(=O)C1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871576304 NQFVILLMACPPPU-UHFFFAOYSA-N 519.994 0.857 5 10 KCBE CN(C)CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870358630 FSJNTUFMBGVETN-UHFFFAOYSA-N 516.599 0.518 5 10 KCBE COCCN(CCOC)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCO 1870696190 AEQPBUIVNXRIEO-UHFFFAOYSA-N 508.528 0.870 5 10 KCBE COCCNC(=O)COc1cn(C[C@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870526187 VTTNFPZOXGEPTR-SFHVURJKSA-N 503.556 0.601 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871706642 LJQRKFZVIKUUQO-UHFFFAOYSA-N 516.540 0.472 5 10 KCBE CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCCN3CCOCC3)[C@H]2C1 253376523 UEQPZERYXCGKJV-JTHBVZDNSA-N 502.616 0.621 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC 1867806833 NSYSRHDRQZWNQU-KSSFIOAISA-N 500.508 0.792 5 10 KCBE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869791484 YBXYZPFGRAUMQR-HXUWFJFHSA-N 552.610 0.748 5 10 KCBE CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869766647 RDCIJAPSMACNPD-LJQANCHMSA-N 535.598 0.904 5 10 KCBE O=C(O)CNC(=O)CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2330451547 FYYHXUNIWKMANM-UHFFFAOYSA-N 533.519 0.156 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1=O 1867834126 QYENVYFOBJJRHV-ZWKOTPCHSA-N 517.451 0.740 5 10 KCBE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 1858648159 ULOUUPAUWKEYHE-UHFFFAOYSA-N 506.541 0.684 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1865713853 JSWSDDOLKJUZFI-QGZVFWFLSA-N 511.466 0.890 5 10 KCBE COCCCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(CCO)CCO 1870696491 FJXXUODEAISQHF-UHFFFAOYSA-N 508.528 0.606 5 10 KCBE CC[C@@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869755648 ITDBGNXTGWPZOW-RUZDIDTESA-N 518.615 0.952 5 10 KCBE CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](O[C@@H]2CO[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 97977664 NEQWPHZHKFBKPE-XSPHTOLCSA-N 613.525 0.730 5 10 KCBE O=c1cc(CN2CCN(CCO)CC2)n(CCN2CCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 1870684714 NCSVAQOZVYZIIB-UHFFFAOYSA-N 501.584 0.778 5 10 KCBE CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886932 BDVVLNPNJZWEDW-CKKDKOFSSA-N 576.607 0.539 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 105293787 DKPBYCZUIMBUTO-WKWVNEEDSA-N 514.396 0.965 5 10 KCBE in-vitro CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865587105 TZNPBACVFQOXJY-HXUWFJFHSA-N 514.539 0.722 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867772433 YDDILZFKOZDLNK-PBHICJAKSA-N 549.389 0.790 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871619989 YJDHNAFXAAOGOZ-UHFFFAOYSA-N 500.541 0.370 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O 575231613 LXUSBVSVBLRAJQ-CILRXRLSSA-N 756.667 0.166 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869807635 AQFGEDCTOPBUJR-SFHVURJKSA-N 520.543 0.713 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n([C@H]3CCS(=O)(=O)C3)[nH]2)CC1 1870072636 ISHBIQGXVPSZCQ-INIZCTEOSA-N 521.556 0.807 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O 575231615 LXUSBVSVBLRAJQ-GNLOKNGFSA-N 756.667 0.166 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867793638 WCRLLRYAXYTKNB-NFBKMPQASA-N 571.587 0.441 5 10 KCBE CCOC(=O)[C@H](NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 20609154 WQHOWILXYNVKPQ-WOJBJXKFSA-N 508.509 0.742 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867794326 KCMIYZLYWAQBTD-AWEZNQCLSA-N 544.970 0.793 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccc(Cl)cc1 1869954690 CAYUBRMIUKFGGM-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N(C)C)c([N+](=O)[O-])cc1OC 1867806796 NIBXNWLITIYVGR-DOTOQJQBSA-N 504.496 0.851 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCN(C)C)c(CN(CCO)CCO)cc2=O)c([N+](=O)[O-])c1 1870697229 YCCNNGAVQKYAHA-UHFFFAOYSA-N 521.571 0.521 5 10 KCBE COc1cc(C(=O)NCC(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC 1862130748 IZFXPZDKULLSSV-UHFFFAOYSA-N 515.523 0.815 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867844914 DTMIYXUXZPFLSP-NVXWUHKLSA-N 573.968 0.353 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868135013 IXYWPSIPBFXSOC-MRXNPFEDSA-N 511.534 0.933 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1865716130 SFMOFLDVTKPGRF-GOSISDBHSA-N 523.502 0.891 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@H]1CCO)=C(N)O2 1865735027 WRINODLAPCSSAL-BBRMVZONSA-N 501.496 0.156 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2=O)cc1 1873708896 UFSMXRUESJAXBL-AWEZNQCLSA-N 509.475 0.485 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612368 KZSYMFJBBGZUFS-KWSVOSNBSA-N 757.651 0.593 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871620700 CVBUKERWBBEZPX-UHFFFAOYSA-N 514.568 0.413 5 10 KCBE O=C(Nc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1)c1ccc([N+](=O)[O-])cc1 105670112 KYFJGHYZXKEKIO-UHFFFAOYSA-N 548.428 0.105 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792019 HZLDVMFBMGZFEH-UXHICEINSA-N 545.524 0.798 5 10 KCBE Cc1c(N=c2[nH]c(N3CCC(O)CC3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871644883 AZWHQYZFRKGBIT-UHFFFAOYSA-N 514.568 0.896 5 10 KCBE CN(C[C@H](O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccc(Cl)c1 1868050834 UHKAOKORWQNPBV-CQSZACIVSA-N 510.912 0.642 5 10 KCBE COCCNC(=O)COc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870961727 DEFVTMZTIRWOMB-UHFFFAOYSA-N 519.555 0.851 5 10 KCBE NC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3c([N+](=O)[O-])cc(C(N)=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 725342652 RGFLLOSKPPNFTM-UHFFFAOYSA-N 504.372 0.844 5 10 KCBE CN(C)c1ccc(C(=O)NC(C)(C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)cc1[N+](=O)[O-] 1869755949 LTIHEHUDQARIIE-UHFFFAOYSA-N 504.588 0.562 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1cccc(Cl)c1 1869954656 ANEXNMGJFTVFEZ-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(N)=O 585672183 ATMLVJQZBPXDGR-FHQLIMNDSA-N 524.578 0.867 5 10 KCBE CCOC(=O)N1CCN(C(=O)CCc2nnc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc2O)CC1 1860872684 UMCFCEGDQUEQHM-UHFFFAOYSA-N 503.472 0.980 5 10 KCBE Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@H]5O)c4c4oc(=O)c1c2c34 257655854 YEHWMDOPGZMLDO-ZZGNVHBLSA-N 626.567 0.716 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@]2(O)C(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 888086367 IKUKTSWRXIBRQX-PYHYDWNASA-N 735.648 0.134 5 10 KCBE Cn1nc(N2CCN(CCO)CC2)nc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870013858 RIABOKVTRKLBCK-UHFFFAOYSA-N 514.543 0.633 5 10 KCBE CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2Nc2ccccc2)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 575231866 VMLZOUYCHMQKBP-JJJRMUTNSA-N 705.670 0.574 5 10 KCBE Cc1nnc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(C)C)CC2)n1C 1869754249 PISIBZXINHIUDP-NRFANRHFSA-N 514.587 0.972 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1Nc1ccccc1 253493836 VMLZOUYCHMQKBP-AARGFYGVSA-N 705.670 0.574 5 10 KCBE CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccccc1N)C(=O)N[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 642886944 FKJKLEYKQAMKQQ-IXFSTUDKSA-N 583.646 0.764 5 10 KCBE NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)cc1 1863234594 KSWAKOPNKRLTTD-UHFFFAOYSA-N 501.521 0.766 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656510 VYWBUDSSCRRYKK-DLBZAZTESA-N 541.560 0.294 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H]2CN(Cc3ccc(F)cc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867806198 HOOBGEIKJSHAJO-DOTOQJQBSA-N 520.470 0.979 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865726627 ZEWPWKWESAXXKE-MRXNPFEDSA-N 513.507 0.489 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867772472 YRIPHPFBNUNSKB-RHSMWYFYSA-N 514.944 0.137 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCN3CCOCC3)c(CN(C)CCO)cc2=O)c([N+](=O)[O-])c1 1870697091 WVMZZJLIBZVRGF-UHFFFAOYSA-N 519.555 0.539 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867790516 KCJNEORNJQSNOR-TZIWHRDSSA-N 563.633 0.738 5 10 KCBE C[C@@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@@H]1O)C[C@@H](O)[C@H]2C(=O)O 1307451024 APKFDSVGJQXUKY-SEWMRTANSA-N 924.091 0.712 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccccc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 1867806685 LNQGGUVFOYKBCH-TZIWHRDSSA-N 515.567 0.808 5 10 KCBE O=C(COc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O)N1CCOCC1 1870583167 HXLGOQKYXDWDPL-UHFFFAOYSA-N 515.567 0.699 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1865716085 QYMFDXWDBSEPKJ-SFHVURJKSA-N 523.502 0.891 5 10 KCBE COc1ccccc1CN1C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1=O 1867834124 QYENVYFOBJJRHV-QZTJIDSGSA-N 517.451 0.740 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867847650 SQTIJBWBEUNWGH-KRWDZBQOSA-N 515.479 0.948 5 10 KCBE COCCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873556971 GKOUPIQTEBQUMN-UHFFFAOYSA-N 513.555 0.739 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OC1=O 1867793478 SIKGLNGXXGVTNU-VQTJNVASSA-N 557.560 0.668 5 10 KCBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H](c3ccc(O)cc3)N(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645435 OTYBBIBYBKRZSZ-OAQYLSRUSA-N 512.571 0.887 5 10 KCBE CC(=O)O[C@@H]1CO[C@H](O[C@@H]2CO[C@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 72132364 NEQWPHZHKFBKPE-DSUYJHQVSA-N 613.525 0.730 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 575231648 NAPXHRWKTGFZTP-KTFOGJIESA-N 757.651 0.593 5 10 KCBE CC[C@H](C)[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757985 MKXGEQFJRLKOAB-HFZDXXHNSA-N 574.679 0.969 5 10 KCBE CC(=O)NCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645416 CUWZPDCJDJYICV-UHFFFAOYSA-N 522.496 0.947 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1866804629 SLAZQEVOSFHFMJ-INIZCTEOSA-N 511.509 0.900 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1 256010857 XHNMNLUMJHINIG-KKDJRORCSA-N 670.577 0.038 5 10 KCBE CSCC[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869759747 WEPPTGVZILKADE-FQEVSTJZSA-N 550.682 0.905 5 10 KCBE CSCC[C@H](NC(=O)CCCNS(C)(=O)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1861881245 CEXMOUSUVPZBBZ-SFHVURJKSA-N 501.631 0.811 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O 575231616 LXUSBVSVBLRAJQ-IITCNRMYSA-N 756.667 0.166 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)C1 1865736061 HXJTUHSMIJSJBY-GDBMZVCRSA-N 513.507 0.489 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccs1 1867884628 YXHKHPMFRCATHD-GXTWGEPZSA-N 520.973 0.198 5 10 KCBE CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(C)C 642886965 SVDPRCWUGMJJJZ-IYJGDNBRSA-N 928.018 0.591 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575232219 DQYZTJGYJYAGFK-KQCBSKOKSA-N 735.648 0.746 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNS(=O)(=O)c1cccc2nsnc12 1873692753 VXVAVOYVKXEHRZ-UHFFFAOYSA-N 504.506 0.680 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865736334 BQGPONMEUGZYSG-IAQYHMDHSA-N 505.915 0.571 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)CC2 1867822628 YKUFZQSIALGIDY-HXOBKFHXSA-N 518.479 0.870 5 10 KCBE CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 94313180 NAPXHRWKTGFZTP-MMXCIQNPSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC1CCCCC1)=C(N)O2 1865718100 HSAPPTJMDWTQCH-KRWDZBQOSA-N 513.507 0.907 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612264 FPUPORSBEXGRKK-BIWSGXOVSA-N 757.651 0.593 5 10 KCBE CN(C[C@H](O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccc(Cl)c1 1868046712 HNCLSYHDDSCTBG-CYBMUJFWSA-N 510.912 0.642 5 10 KCBE O=C([C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1)N1CCSCC1 1892260806 QTYBAXXPKDYRDA-MOPGFXCFSA-N 512.610 0.941 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 1866591936 NGDKUKLCUYGFOS-SFHVURJKSA-N 521.552 0.269 5 10 KCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867803208 BGWXSKLMUIQTSB-MAUKXSAKSA-N 538.579 0.918 5 10 KCBE CCOC(=O)[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 1865737006 REBXVCOLMVFEMU-XJKSGUPXSA-N 529.506 0.194 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721146 KTYFGOFHUCTLFT-KRWDZBQOSA-N 507.459 0.732 5 10 KCBE NS(=O)(=O)c1ccc(CCCNC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867781643 FNXNGDMWMBCZHP-UHFFFAOYSA-N 505.553 0.558 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867783678 JIFWPDVCNQBOGM-AZUAARDMSA-N 584.051 0.737 5 10 KCBE COc1ccc(C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1870067073 PZJMLXICJZCNPM-AWEZNQCLSA-N 507.529 0.509 5 10 KCBE O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 96457224 OPIBDBOQBBDTIV-UPVQGACJSA-N 514.627 0.719 5 10 KCBE CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2[C@H](Oc3cccc4c(=O)c5c(N)c(=O)c6ccc(C)c7c(=O)oc(c-5c67)c34)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O 257457552 JRLWNUGRLOAQEN-YRUYIADZSA-N 651.621 0.403 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)CC2=O)cc1[N+](=O)[O-] 1873011172 LAYMDRIRBVNARJ-HNNXBMFYSA-N 506.541 0.829 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867781731 GZSVZCUXSHXEMB-INIZCTEOSA-N 541.608 0.021 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867806780 MXTZCLQNOXTUOM-KRWDZBQOSA-N 516.507 0.749 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865725427 JALPHTQJJHFOJV-CQSZACIVSA-N 516.511 0.409 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 1866591935 NGDKUKLCUYGFOS-GOSISDBHSA-N 521.552 0.269 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865720578 CGYYMZUNLGJRCP-KRWDZBQOSA-N 523.458 0.438 5 10 KCBE O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC(=O)NCCN2CCOCC2)cc1 1858646666 CYFJPWUISMPXEV-UHFFFAOYSA-N 505.553 0.774 5 10 KCBE O=C(NCCc1nn2cnnc2s1)c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 1860866927 PLPFHPVLRRNPQN-QGZVFWFLSA-N 500.541 0.894 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@@H]1O 299818333 APKFDSVGJQXUKY-CBLGHIAYSA-N 924.091 0.712 5 10 KCBE CN(C[C@@H](O)CNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867828273 LMSWPBUYTCJVPJ-HNNXBMFYSA-N 529.553 0.871 5 10 KCBE Cc1c([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCn4cnc5c4c(=O)n(C)c(=O)n5C)C(=O)[C@H]32)c(=O)n(-c2ccccc2)n1C 1088595253 QEINPPIBAKSQIV-ZCKQCUHLSA-N 711.692 0.152 5 10 KCBE COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868134953 GQFNYVXWIPTYIF-MRXNPFEDSA-N 511.534 0.933 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869793895 TWYKPGNEWOCSKP-LJQANCHMSA-N 506.516 0.405 5 10 KCBE CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255990516 NPMRWZCVKXKVKM-WMZQNHKZSA-N 590.634 0.929 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867783381 IAAYZDBUXVICCL-ICSRJNTNSA-N 549.606 0.084 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H]2CN(Cc3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807112 SDCNGJUWXDRSKD-DOTOQJQBSA-N 502.480 0.840 5 10 KCBE CC(=O)NCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCO)CCO 1870590357 TZLJAHGXIDFBKX-UHFFFAOYSA-N 506.512 0.125 5 10 KCBE CN(C)[C@@H](CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867791749 GTGMNSNHWFMHGP-NQIIRXRSSA-N 529.550 0.670 5 10 KCBE Cc1c(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867818556 TXPHBKQIVCQKOL-GDBMZVCRSA-N 523.524 0.728 5 10 KCBE O=C(COc1cn(CCCN2CCOCC2)c(CN2CC(O)C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397787 TZXDGDKUZZDDAN-UHFFFAOYSA-N 501.540 0.673 5 10 KCBE Nc1nc(O)c2nc(Nc3ccc4c(c3)Cc3cc([N+](=O)[O-])ccc3-4)n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1 725414545 NPGDUUMPIDZXLY-LAVAIGHBSA-N 507.463 0.949 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865713526 BIDWTEAZQZMQGA-INIZCTEOSA-N 528.522 0.424 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656513 VYWBUDSSCRRYKK-IRXDYDNUSA-N 541.560 0.294 5 10 KCBE CC(=O)N[C@H](C)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645870 WGJWAHLOABOSCG-GFCCVEGCSA-N 522.496 0.946 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867799500 FJMVBLZARTUGHY-XUZZJYLKSA-N 528.610 0.865 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 1870015890 QJVFAKDCKKNJQS-AWEZNQCLSA-N 513.964 0.566 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 1870016355 ZQNRTPRSDHQUOY-AWEZNQCLSA-N 513.964 0.566 5 10 KCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1[N+](=O)[O-] 585175644 ZWZPRRNZEXJYRI-UHFFFAOYSA-N 536.571 0.227 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 1867806683 LNQGGUVFOYKBCH-FPOVZHCZSA-N 515.567 0.808 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCCN3CCCC3)[nH]2)cc1[N+](=O)[O-] 1871708463 NHPRWZAVTITFPA-UHFFFAOYSA-N 515.619 0.778 5 10 KCBE CC(=O)O[C@@H]1[C@@H](O[C@@H]2CO[C@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 253491616 NEQWPHZHKFBKPE-FNPUNIKYSA-N 613.525 0.730 5 10 KCBE O=C(OCc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 1616057470 UYGBHHRVGNCHBL-USWKJHDZSA-N 519.507 0.232 5 10 KCBE CCOC(=O)[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 1865737653 XJWJXFZJKNKGET-GDBMZVCRSA-N 513.507 0.489 5 10 KCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867828274 LMSWPBUYTCJVPJ-OAHLLOKOSA-N 529.553 0.871 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706961 PNWNYWXIARFRIZ-UHFFFAOYSA-N 515.575 0.212 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97977693 FPUPORSBEXGRKK-LIDXSNKTSA-N 757.651 0.593 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCCCN1CCCC1)=C(N)O2 1865721663 YQVZDUCYAVKYDU-QGZVFWFLSA-N 514.539 0.385 5 10 KCBE O=C(N[C@H](CO)C(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788106 COCIGGICLGQQBQ-HXUWFJFHSA-N 511.535 0.965 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(c2nnc(C)n2C)CC1 1869752952 GLIHBEPSOLLPKD-SFHVURJKSA-N 500.560 0.726 5 10 KCBE COc1ccc(OCCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1865715877 LYOIGUSXCYQGOQ-SFHVURJKSA-N 523.502 0.891 5 10 KCBE COCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870590477 YKHLHJMQRMZLMJ-UHFFFAOYSA-N 504.540 0.958 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867791729 GPOPFHQGWKFOTB-ZEQKJWHPSA-N 570.647 0.636 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721249 NMIRJRJFQIEPBY-QGZVFWFLSA-N 507.459 0.732 5 10 KCBE C[C@@H](O)Cn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870584569 ZWBHWHMTUUFIHY-LJQANCHMSA-N 515.567 0.697 5 10 KCBE CCNC(=O)COc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870533278 DJJYDGSTAZJLOD-UHFFFAOYSA-N 503.556 0.603 5 10 KCBE Cc1nnc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(C)C)CC2)n1C 1869754250 PISIBZXINHIUDP-OAQYLSRUSA-N 514.587 0.972 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1866901820 BQCWONUAYWSTPX-IFMALSPDSA-N 561.617 0.642 5 10 KCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867830336 MOPIRGHTQWYIEA-GUYCJALGSA-N 509.497 0.419 5 10 KCBE NC(=O)CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861123567 IMQZXRFHUNZKGW-SSGOSMAHSA-N 503.537 0.365 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867844916 DTMIYXUXZPFLSP-RDJZCZTQSA-N 573.968 0.353 5 10 KCBE C[C@@H](O)Cn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870590387 UWRRFBQANPFEDP-QGZVFWFLSA-N 504.540 0.693 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)CC2 1867822630 YKUFZQSIALGIDY-UZUQRXQVSA-N 518.479 0.870 5 10 KCBE COc1cc(C(=O)N[C@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)c([N+](=O)[O-])cc1OC 1869763488 LLXFNWOTFUOHIT-QHCPKHFHSA-N 535.598 0.760 5 10 KCBE Cc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCCN1CCOCC1)=C(N)O2 1864891284 GYTMUCVVAYAUSV-FQEVSTJZSA-N 514.539 0.941 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 1865713527 BIDWTEAZQZMQGA-MRXNPFEDSA-N 528.522 0.424 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820392 DEVHKWQBVTVBHJ-TZIWHRDSSA-N 515.523 0.962 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 1867832274 AXUDXPNENJXTDZ-HTAPYJJXSA-N 504.452 0.561 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867834643 VESQUDGTVSREIL-SJLPKXTDSA-N 559.941 0.045 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1[N+](=O)[O-] 1872948694 LUTNUHKDUFIJCJ-WBVHZDCISA-N 508.553 0.816 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867783098 HLQFFLVSLWJIMK-IRXDYDNUSA-N 555.635 0.145 5 10 KCBE C[C@H]1CCn2cc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2C1 1867788313 FIMMBNANBHJNQL-QFBILLFUSA-N 500.556 0.660 5 10 KCBE O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cnccn1 1869975561 QVWXLWYFMMPADA-KRWDZBQOSA-N 513.540 0.915 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867799457 DOKNLLPSJLJKBV-NZQKXSOJSA-N 515.567 0.950 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN3CCN(C(C)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870697010 UCCUZGRIQVGZGK-UHFFFAOYSA-N 517.539 0.829 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 613839039 DIGUUNRLVBJXKB-VRXWXTSNSA-N 966.128 0.889 5 10 KCBE CCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864893442 AUKOBUHLUFMYNN-IBGZPJMESA-N 514.539 0.805 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 1867832277 AXUDXPNENJXTDZ-JTSKRJEESA-N 504.452 0.561 5 10 KCBE O=C(CCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)NCCN1C(=O)C=CC1=O 2069666736 CUANCKKSSKURQC-UHFFFAOYSA-N 810.815 0.271 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 1867795398 JAJNFFDWTNIZHT-MZNJEOGPSA-N 502.524 0.719 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867845029 FVDDPIILLYCXES-WOJBJXKFSA-N 515.523 0.962 5 10 KCBE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cn2CCOCCO)CC1 1870398094 HKMPXERMMTVGTM-UHFFFAOYSA-N 503.556 0.920 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 1865737659 XJWJXFZJKNKGET-GOEBONIOSA-N 513.507 0.489 5 10 KCBE C[C@H](O[P@](=O)(O)N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(O)nc32)[C@@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-] 725424972 RPUSBABQVMLNSK-LSWRJELKSA-N 672.330 0.467 5 10 KCBE CN(C)S(=O)(=O)N1CCC(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892384286 XXBACXNRAHCJRD-LJQANCHMSA-N 517.630 0.773 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867807499 ZQOLFHVPCHPPHW-RHSMWYFYSA-N 574.996 0.154 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832266 ATLJTQMLBQIVEL-SFTDATJTSA-N 501.496 0.653 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865723721 CKJWASQGGIBIFH-QGZVFWFLSA-N 519.474 0.585 5 10 KCBE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865720409 ADVQFPSMWCWQON-QGZVFWFLSA-N 500.556 0.925 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc1 1867793450 RUBDOSNKFAASCG-OFNKIYASSA-N 515.567 0.950 5 10 KCBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cccc1[N+](=O)[O-] 1871645553 MYOVBMWOJCGRFV-UHFFFAOYSA-N 500.541 0.772 5 10 KCBE CC(C)CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865726803 AQURMPPPZZWIOQ-MRXNPFEDSA-N 501.496 0.620 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@H]1O 299818335 APKFDSVGJQXUKY-KIYVOCMGSA-N 924.091 0.712 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)N(CCN)C(=O)OC(C)(C)C)=C(N)O2 1865724930 BGOLRERHZBSHMI-AWEZNQCLSA-N 516.511 0.409 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1866653895 AZPGZWYNJVVQKV-FUHWJXTLSA-N 541.560 0.294 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867788001 UBIVKYFTURDOAB-SFHVURJKSA-N 517.514 0.937 5 10 KCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 1865734254 IOFCUZJPLCRAFD-QGZVFWFLSA-N 513.507 0.717 5 10 KCBE CC(=O)O[C@@H]1[C@H](O[C@@H]2CO[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O 97977665 NEQWPHZHKFBKPE-BHHDDJOMSA-N 613.525 0.730 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867772474 YRIPHPFBNUNSKB-YOEHRIQHSA-N 514.944 0.137 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867792429 VGLJYPCTWZFLCC-QHCPKHFHSA-N 527.534 0.698 5 10 KCBE CCC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757605 JPLNMFCQKDNEOG-JOCHJYFZSA-N 560.652 0.723 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc1 1867793449 RUBDOSNKFAASCG-NZQKXSOJSA-N 515.567 0.950 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867807563 AXWZOHYEWUNOOD-OAHLLOKOSA-N 543.942 0.992 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867834642 VESQUDGTVSREIL-FUHWJXTLSA-N 559.941 0.045 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@@H]3CCCO3)c(CN(CCO)CCO)cc2=O)c([N+](=O)[O-])c1 1870696497 FONLJNUMADIVMI-IBGZPJMESA-N 520.539 0.748 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867783096 HLQFFLVSLWJIMK-DLBZAZTESA-N 555.635 0.145 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccccc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 1867806684 LNQGGUVFOYKBCH-PZJWPPBQSA-N 515.567 0.808 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612245 DQYZTJGYJYAGFK-INQHEBFPSA-N 735.648 0.746 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@H](N)[C@@H]1O 299818338 APKFDSVGJQXUKY-WSHCWEJSSA-N 924.091 0.712 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822668 YWZPARMUWJNLRU-ICSRJNTNSA-N 545.505 0.821 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867844918 DTMIYXUXZPFLSP-WBVHZDCISA-N 573.968 0.353 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871706002 NQTILLKAAMMXAI-UHFFFAOYSA-N 513.559 0.469 5 10 KCBE COc1ccc(CCN2C[C@@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867795585 MGLGHZDOFKOMRH-UYAOXDASSA-N 557.604 0.976 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721201 MIFKWQDGCMZPCC-QGZVFWFLSA-N 507.459 0.732 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791176 CVJBXOFWFPLIRE-MOPGFXCFSA-N 513.507 0.664 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)cc1[N+](=O)[O-] 1867845026 FVDDPIILLYCXES-UXHICEINSA-N 515.523 0.962 5 10 KCBE O=C(O)c1nn2cc(-c3n[nH]c(-c4cnc5c([N+](=O)[O-])c(C(=O)O)nn5c4)c3[N+](=O)[O-])cnc2c1[N+](=O)[O-] 101521437 BBEKMVKPBXHVJE-UHFFFAOYSA-N 525.310 0.950 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N(CCO)Cc1ccccc1)=C(N)O2 1865732304 JEZJVNUYDGSVNO-GOSISDBHSA-N 507.503 0.708 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867781679 GDJRNAZPPTVPQW-PKOBYXMFSA-N 549.606 0.348 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2053606980 DERWUMPBVVAOCU-VFMKGFAKSA-N 522.463 0.807 5 10 KCBE CCN1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865731491 RLOPNOGPPLYBMY-OAHLLOKOSA-N 504.931 0.504 5 10 KCBE COc1cc(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869763884 RWQTYWXUCOKLMG-MRXNPFEDSA-N 507.544 0.123 5 10 KCBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2330669812 YBBNREBYBIIPCF-GOSISDBHSA-N 503.537 0.365 5 10 KCBE CCCN(CCC(=O)OCC)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865731954 CFTNZEXFPDTJPX-KRWDZBQOSA-N 515.523 0.879 5 10 KCBE CC(=O)N1CCN(c2nc(=Nc3ccc(Cl)cc3[N+](=O)[O-])nc(N3CCN(C(C)=O)CC3)[nH]2)CC1 1871735227 VZSXTPIJPDTDBR-UHFFFAOYSA-N 503.951 0.936 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870067484 OVGVHSXXWIAEKV-BDUNBXCCSA-N 503.541 0.900 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2037545258 NAPXHRWKTGFZTP-CSHAYUQWSA-N 757.651 0.593 5 10 KCBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H](c3ccc(O)cc3)N(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645434 OTYBBIBYBKRZSZ-NRFANRHFSA-N 512.571 0.887 5 10 KCBE COc1cc(C(=O)Nc2nc(N3CCC(O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1870062894 WFAQVZDAYIFUCJ-GFCCVEGCSA-N 510.529 0.777 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCCCO)c(CN(CCO)CCO)cc2=O)c([N+](=O)[O-])c1 1870697039 VDXGAAWEEXGUFN-UHFFFAOYSA-N 522.555 0.732 5 10 KCBE 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=CC=CC=CC=CC=CC=C/C=C\[C@H](C)[C@@H](O)[C@H]1C)O2 1083816637 APKFDSVGJQXUKY-QJZWQADFSA-N 924.091 0.712 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865727482 ITZBWCICJHSYPD-UGSOOPFHSA-N 521.486 0.643 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867828140 IPAXXLYAAUOUJW-GOSISDBHSA-N 501.452 0.640 5 10 KCBE CN(C)[C@H](CNC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1867791751 GTGMNSNHWFMHGP-WIYYLYMNSA-N 529.550 0.670 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCC(C(N)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696631 LOCFBCVAEGXRGE-HNNXBMFYSA-N 517.539 0.861 5 10 KCBE O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(CC(=O)N2CCOCC2)CC1 1873789994 MGFFWRHDMMAGDK-UHFFFAOYSA-N 501.540 0.754 5 10 KCBE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870015523 JYAWRSQGFBRFFT-WRFKIARRSA-N 505.557 0.312 5 10 KCBE CC(=O)NCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CSc1nnnn1C 1870249223 XMPWBHMQDUKMMJ-UHFFFAOYSA-N 502.513 0.726 5 10 KCBE 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=CC=CC=C/C=C\C=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2 1083806265 APKFDSVGJQXUKY-ZTFQBDBBSA-N 924.091 0.712 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867772473 YRIPHPFBNUNSKB-WMLDXEAASA-N 514.944 0.137 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CCC(C(N)=O)CC3)cc2=O)c([N+](=O)[O-])c1 1870696632 LOCFBCVAEGXRGE-OAHLLOKOSA-N 517.539 0.861 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869793894 TWYKPGNEWOCSKP-IBGZPJMESA-N 506.516 0.405 5 10 KCBE COc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867802771 PTFAWFTXRWTZLM-CYBMUJFWSA-N 544.608 0.980 5 10 KCBE CCN1CCN(c2nc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n([C@H]3CCS(=O)(=O)C3)n2)CC1 1870043855 GBBPJZWGCPTAIH-AWEZNQCLSA-N 523.572 0.957 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865728085 OSFDNJONLBDBRW-YJBOKZPZSA-N 521.486 0.643 5 10 KCBE CN1CCN([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867793236 PEZITFNKXKVDDD-DHLKQENFSA-N 540.621 0.627 5 10 KCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867830950 QWZKESHRNCVNFQ-IAQYHMDHSA-N 515.526 0.481 5 10 KCBE C[C@@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@@H]1O)C[C@@H](O)[C@@H]2C(=O)O 1307451021 APKFDSVGJQXUKY-IFJVLVSYSA-N 924.091 0.712 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867794327 KCMIYZLYWAQBTD-CQSZACIVSA-N 544.970 0.793 5 10 KCBE COc1ccc(NC(=O)COc2nonc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 1872703591 RCDQTZNVXFJJLL-UHFFFAOYSA-N 506.453 0.581 5 10 KCBE CCCC[C@H](NC(=O)OC)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 14953841 XEXULFKIPLAHKX-IRXDYDNUSA-N 522.563 0.312 5 10 KCBE C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867788401 YDVQMFPVMSSXNP-WBVHZDCISA-N 507.569 0.577 5 10 KCBE CN(C)CCCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870398098 HNBQZMRHZAZHNC-UHFFFAOYSA-N 516.599 0.836 5 10 KCBE CC(C)NC(=O)COc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870511583 DITAJMBWGJQDDQ-UHFFFAOYSA-N 517.583 0.991 5 10 KCBE C[C@H](O[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-] 306146751 NYWDUFBXCCSYMK-LSWRJELKSA-N 672.330 0.770 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867835717 XMLMPRHFSSYGDJ-MJGOQNOKSA-N 523.524 0.809 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867882782 HIDHYKGFCVDKFT-WMLDXEAASA-N 514.944 0.137 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 1772717780 DIGUUNRLVBJXKB-VQGQKDNGSA-N 966.128 0.889 5 10 KCBE in-vitro C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 1867793606 VPHMKPKYUCJKJE-LAUBAEHRSA-N 525.562 0.612 5 10 KCBE COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)c1 1858978367 XBPRGPHSDSFGMA-UHFFFAOYSA-N 520.568 0.726 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(CC)c([N+](=O)[O-])c3)[nH]2)CC1 1871621263 LDCHNLFBWRVXDN-UHFFFAOYSA-N 504.548 0.629 5 10 KCBE 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 2070815040 APKFDSVGJQXUKY-UBBNMAPHSA-N 924.091 0.712 5 10 KCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCNC(C)=O)cc2)cc1[N+](=O)[O-] 1858975649 BDVVTKQHOANRSU-UHFFFAOYSA-N 507.525 0.700 5 10 KCBE CCCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCNC(C)=O)=C(N)O2 1864893108 WCIUNMDVOZQAQN-GOSISDBHSA-N 500.512 0.999 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867791153 COFJSAPPCIXESU-RCZVLFRGSA-N 557.604 0.720 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867795016 BOUNBTCXBGTHOB-HXUWFJFHSA-N 557.560 0.723 5 10 KCBE CC(=O)NCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578060 NMGJLZVVZRZVSR-UHFFFAOYSA-N 513.950 0.685 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493284 NXCQUUQIQOMIMT-VRRQLYBCSA-N 895.785 0.203 5 10 KCBE CC(=O)NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 725406999 VBYBHXBMGDKMME-UXHICEINSA-N 504.544 0.452 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC[C@H]1COc3ccccc3O1)=C(N)O2 1865727259 GZSVSZZDWWMGAA-MAUKXSAKSA-N 521.486 0.643 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867832361 BNBPLCYHCSWJNO-FGZHOGPDSA-N 530.538 0.707 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792020 HZLDVMFBMGZFEH-VQTJNVASSA-N 545.524 0.798 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H]2CN(Cc3ccc(F)cc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867806200 HOOBGEIKJSHAJO-RDJZCZTQSA-N 520.470 0.979 5 10 KCBE COc1cc(C(=O)N2CNS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc32)c([N+](=O)[O-])cc1OC 58901900 OHJRNUXYVHTPRS-UHFFFAOYSA-N 506.902 0.809 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1865718909 POVRDMYCRVBEQG-QGZVFWFLSA-N 509.475 0.588 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1865724733 WPQOJAHRCPGSAJ-CQSZACIVSA-N 501.887 0.422 5 10 KCBE COc1nc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1 1891648921 KEOVNTRZYRFRDJ-QGZVFWFLSA-N 521.556 0.485 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CN3CCN(CCO)CC3)cc2=O)c([N+](=O)[O-])c1 1870697270 YRXNMOARWWGVAO-QGZVFWFLSA-N 519.555 0.273 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])OC1=O 1867807390 XYGWGTIETJKQQS-DOTOQJQBSA-N 532.506 0.849 5 10 KCBE CCOC(=O)N1CCC(NC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 1865714665 SHRSBLMYGGIRDY-MRXNPFEDSA-N 528.522 0.424 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836886 XNSZNGDRMCGXCR-GXTWGEPZSA-N 529.553 0.789 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cccc([N+](=O)[O-])c2)C1 1865736063 HXJTUHSMIJSJBY-HOCLYGCPSA-N 513.507 0.489 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867793933 BDFMTFHISSYBHC-AWEZNQCLSA-N 510.525 0.140 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869959872 CUMBWQFSQJSPMT-AWEZNQCLSA-N 508.517 0.767 5 10 KCBE COc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCN(C=O)CC4)ccc32)cc1[N+](=O)[O-] 47164373 VWZLEASAUZXOEX-UHFFFAOYSA-N 504.477 0.857 5 10 KCBE CN(C[C@H](O)CNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(=O)(=O)c1cccs1 1868046673 GCOKQPPQNCKRMM-CYBMUJFWSA-N 510.550 0.830 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 2332040959 SQRAXNCGOMCGOT-QGZVFWFLSA-N 503.541 0.900 5 10 KCBE O=C(Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O)NCCCN=c1c2ccccc2[nH]c2ccccc12 725411955 KWBKIALJLAXJIV-WMTXJRDZSA-N 519.558 0.874 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N2CCOCC2)cc1 1867833251 KPRQDYPFMYJQGD-SFTDATJTSA-N 517.495 0.792 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871708082 UQGIMXFKBAYMGJ-UHFFFAOYSA-N 504.529 0.444 5 10 KCBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1861125947 LKMLWRXMVJFKSS-GIHFNCESSA-N 503.537 0.365 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867807498 ZQOLFHVPCHPPHW-PBHICJAKSA-N 574.996 0.154 5 10 KCBE CC(C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 255962834 APPSYVHVOCTIDH-FYSJFMMDSA-N 686.675 0.436 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493281 NXCQUUQIQOMIMT-CTUXJOJBSA-N 895.785 0.203 5 10 KCBE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865736836 PWHIKISSNQVNMA-VFVRVIDISA-N 527.534 0.963 5 10 KCBE CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(=O)c5c(N)c(=O)c6ccc(C)c7c(=O)oc(c-5c67)c34)O[C@H](C)[C@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O 257457550 JRLWNUGRLOAQEN-PDSVPNBUSA-N 651.621 0.403 5 10 KCBE Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1[N+](=O)[O-] 585481168 JQSLNCSOMHWTAW-UHFFFAOYSA-N 506.545 0.864 5 10 KCBE CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1cc([N+](=O)[O-])ccc1OCCOc1ccc([N+](=O)[O-])cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O 725391675 GPJSQKNJXRFPCN-UHFFFAOYSA-N 854.684 0.829 5 10 KCBE CN1CCN(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 1858645603 LXEDKGPYHQYRAM-UHFFFAOYSA-N 521.512 0.583 5 10 KCBE COC(=O)COc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870447375 NFXNDDBNZSZBGL-UHFFFAOYSA-N 515.567 0.963 5 10 KCBE COc1cc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc(OC)c1OC 1867791414 DMSSHEXMOUPXGZ-DENIHFKCSA-N 575.619 0.967 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H]2CN(Cc3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867807115 SDCNGJUWXDRSKD-WBVHZDCISA-N 502.480 0.840 5 10 KCBE O=C(Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1869975953 XWADGNMMSJFTPX-MSOLQXFVSA-N 505.557 0.990 5 10 KCBE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=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 256012839 YDPNOCSPPGFBPX-LZUSQQTESA-N 628.639 0.591 5 10 KCBE in-vitro CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H]1O 1548337517 DIGUUNRLVBJXKB-WYFIVFSUSA-N 966.128 0.889 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865735029 WRINODLAPCSSAL-CZUORRHYSA-N 501.496 0.156 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 253612379 LXUSBVSVBLRAJQ-SZWVEFIUSA-N 756.667 0.166 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@H](CO)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 1867361679 WOZQFJFZPBBKGZ-PXNSSMCTSA-N 514.535 0.910 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 1867845515 HWWWDTGOUDDPFO-MWTRTKDXSA-N 518.479 0.870 5 10 KCBE COc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1868135322 VRRIKXPTOOBEJJ-INIZCTEOSA-N 511.534 0.933 5 10 KCBE COc1cc(C(=O)N[C@H](CCSC)C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)c([N+](=O)[O-])cc1OC 1869766327 OOTJDXIBEFBVTQ-LJQANCHMSA-N 567.665 0.857 5 10 KCBE O=c1cc(CN2CCN(CCO)CC2)n(CCCO)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 1870590132 NZMNAFMDJIHTEQ-UHFFFAOYSA-N 504.540 0.694 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCN3C(=O)CSC3=O)[nH]2)cc1[N+](=O)[O-] 1871620816 OLMBVISGJVWJIC-UHFFFAOYSA-N 501.573 0.789 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1[N+](=O)[O-] 1872948693 LUTNUHKDUFIJCJ-RDJZCZTQSA-N 508.553 0.816 5 10 KCBE N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1 85574881 KOXMDCXAOGQNDD-FKBYEOEOSA-N 538.609 0.761 5 10 KCBE CC(=O)N1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865726288 VPDACQRTGHIVAG-HNNXBMFYSA-N 518.914 0.031 5 10 KCBE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869768641 ZFXWBNNJXAKHJY-RUZDIDTESA-N 535.598 0.904 5 10 KCBE CN1CCN([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 1867834128 QYZCEDFINMSQCE-NHCUHLMSSA-N 500.512 0.699 5 10 KCBE CC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753385 KKQOBARPCPBGMK-HHHXNRCGSA-N 560.652 0.723 5 10 KCBE COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943005 KROZWYZTXBGRJG-CVEARBPZSA-N 508.553 0.498 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCc1nc(-c2cccs2)no1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791716 GIRXUMCKWVWUFA-AWEZNQCLSA-N 502.509 0.950 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cc1[N+](=O)[O-] 1866903868 ZFIBESDOWDAALK-RTWAWAEBSA-N 561.617 0.642 5 10 KCBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] 1867795415 JHNRHWWCGCXCNG-GOSISDBHSA-N 507.569 0.872 5 10 KCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867804855 LSVDJMWKNOKFGW-ZFWWWQNUSA-N 544.608 0.980 5 10 KCBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871706532 HCWYXRYHYQWUJX-UHFFFAOYSA-N 502.576 0.719 5 10 KCBE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O 2054808048 XUBYXAPZNZRFNB-HOTGVXAUSA-N 508.488 0.638 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 1867845513 HWWWDTGOUDDPFO-HJPURHCSSA-N 518.479 0.870 5 10 KCBE CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C 219432099 XAFLGZCJBUOOIP-IPZZXCBHSA-N 518.571 0.694 5 10 KCBE CCCNC(=O)COc1cn(CCOCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870681159 MDVVIYKPXJRIJR-UHFFFAOYSA-N 517.583 0.993 5 10 KCBE CN(C)c1ccc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1867787316 GXMVIGZSCOQVTL-INIZCTEOSA-N 527.987 0.842 5 10 KCBE CN1CCN([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2)CC1 1867793238 PEZITFNKXKVDDD-RDGATRHJSA-N 540.621 0.627 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867909670 ATEWMZHVGYXVBA-KDOFPFPSSA-N 514.944 0.137 5 10 KCBE NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873016406 PABVDJSSXCAUIJ-YESZJQIVSA-N 515.548 0.398 5 10 KCBE C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)O 1858975405 ZVXMMXBLJNMCMF-LLVKDONJSA-N 509.453 0.937 5 10 KCBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1[N+](=O)[O-] 1871706534 HGRNPZFHEYXTOE-UHFFFAOYSA-N 504.529 0.064 5 10 KCBE NS(=O)(=O)c1ccc(CCNC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)cc1 1863597379 DZOCKGGMKOTRDY-UHFFFAOYSA-N 529.575 0.487 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCCn1ccnc1)=C(N)O2 1865721565 WFONAJKOUFYTKG-OAHLLOKOSA-N 515.914 0.743 5 10 KCBE CCOC(=O)CCN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865729529 HMBJJOIODZSCQG-OAHLLOKOSA-N 521.914 0.752 5 10 KCBE CC1(C)O[C@H]2O[C@H]([C@@H](O)CN(C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1 261493283 NXCQUUQIQOMIMT-UBMWHVMPSA-N 895.785 0.203 5 10 KCBE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865738007 ZKGZHJRCLGTUHG-PXAZEXFGSA-N 513.507 0.717 5 10 KCBE COc1ccc(C(=O)Nc2nc(N3CCN(C(C)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869946032 AYYDPJCBJNKLST-HNNXBMFYSA-N 507.529 0.475 5 10 KCBE C[C@@H]1O[C@H](O[C@@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)CC[C@H](O)[C@@H](O)C[C@@H](O)C[C@@]3(O)C[C@@H](O)[C@H](C(=O)O)[C@@H](C2)O3)[C@H](O)[C@@H](N)[C@@H]1O 1085216818 APKFDSVGJQXUKY-HORMRLTKSA-N 924.091 0.712 5 10 KCBE CC(C)C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869754931 UYRPOSSTTAHTGL-HSZRJFAPSA-N 574.679 0.969 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NCCc1nc3ccccc3[nH]1)=C(N)O2 1865722872 BJNSBNXBUZUOBG-GOSISDBHSA-N 517.502 0.922 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NC1CCCCC1)=C(N)O2 1865718101 HSAPPTJMDWTQCH-QGZVFWFLSA-N 513.507 0.907 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867847998 VWGAUJWOWJVHMB-FXAWDEMLSA-N 545.505 0.821 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1866653897 AZPGZWYNJVVQKV-WMZOPIPTSA-N 541.560 0.294 5 10 KCBE CCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCN1CCOCC1)=C(N)O2 1864893443 AUKOBUHLUFMYNN-LJQANCHMSA-N 514.539 0.805 5 10 KCBE CCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865719540 YLYXHPJZCMLHKN-INIZCTEOSA-N 501.496 0.764 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1867781518 BWNMVLUQAYVTAS-MRXNPFEDSA-N 519.580 0.946 5 10 KCBE CC[C@@H](C)[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869757987 MKXGEQFJRLKOAB-QFQXNSOFSA-N 574.679 0.969 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867848001 VWGAUJWOWJVHMB-YLJYHZDGSA-N 545.505 0.821 5 10 KCBE COCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870580595 BLZSTNNKEGKUPX-UHFFFAOYSA-N 515.567 0.963 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C\C=C/C=CC=CC=C/C=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@H](N)[C@@H]1O 1083798889 APKFDSVGJQXUKY-SSUSHIFSSA-N 924.091 0.712 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)CC2 1867845520 HWWWDTGOUDDPFO-WAIKUNEKSA-N 518.479 0.870 5 10 KCBE O=C(COc1cn(CCc2cnc[nH]2)c(CN(CCO)CCO)cc1=O)Nc1cccc([N+](=O)[O-])c1 1870397867 WUUQUSHSTZZGFJ-UHFFFAOYSA-N 500.512 0.526 5 10 KCBE 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 299818329 APKFDSVGJQXUKY-ADHFGADYSA-N 924.091 0.712 5 10 KCBE CC(=O)N[C@@H](C)CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645871 WGJWAHLOABOSCG-LBPRGKRZSA-N 522.496 0.946 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612404 NAPXHRWKTGFZTP-MIZQGXOYSA-N 757.651 0.593 5 10 KCBE COC(=O)[C@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@H](NC(=O)COC(C)=O)[C@H]([C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1 256010859 XHNMNLUMJHINIG-PMIDZPAISA-N 670.577 0.038 5 10 KCBE Cc1c(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867807562 AXWZOHYEWUNOOD-HNNXBMFYSA-N 543.942 0.992 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1ccc3c(c1)OCO3)=C(N)O2 1865721248 NMIRJRJFQIEPBY-KRWDZBQOSA-N 507.459 0.732 5 10 KCBE COc1ccc(CN=c2nc(N(CCO)CCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1OC 1871707810 RBKVIMLRZRZIID-UHFFFAOYSA-N 515.527 0.796 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869781399 DKFVDCHCAQPZHW-LJQANCHMSA-N 520.543 0.713 5 10 KCBE CN(C)c1nc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1869964479 NPCAUXRHWUWOFP-ZDUSSCGKSA-N 505.513 0.627 5 10 KCBE CC1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 1865734251 IOFCUZJPLCRAFD-KRWDZBQOSA-N 513.507 0.717 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887489 SSKJMHLJNHUFHI-JWWGGVBKSA-N 605.649 0.012 5 10 KCBE C[C@@H](O)Cn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870356110 KYLAQVFBFUYSFO-GOSISDBHSA-N 503.556 0.337 5 10 KCBE O=C(N[C@@H](CO)C(=O)NC[C@H]1CN(Cc2ccccc2)C(=O)O1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867792060 IPIKRLFOQVHHKJ-PMACEKPBSA-N 527.534 0.659 5 10 KCBE CN1CCN([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 1867834127 QYZCEDFINMSQCE-LEWJYISDSA-N 500.512 0.699 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)c([N+](=O)[O-])cc1OC 1867806799 NIBXNWLITIYVGR-WBVHZDCISA-N 504.496 0.851 5 10 KCBE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 1858976507 RRGAVDPSRYZFMP-UHFFFAOYSA-N 520.568 0.726 5 10 KCBE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(CCO)CC1)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865587104 TZNPBACVFQOXJY-FQEVSTJZSA-N 514.539 0.722 5 10 KCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867804853 LSVDJMWKNOKFGW-HIFRSBDPSA-N 544.608 0.980 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@H]1O 575231181 APKFDSVGJQXUKY-HPUIZZAOSA-N 924.091 0.712 5 10 KCBE CN(C[C@H](O)CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1ccccc1 1868050828 UEDACDSRGRMNJG-MRXNPFEDSA-N 504.521 0.769 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C(=O)N1CCCC[C@@H]1CCO)=C(N)O2 1865735028 WRINODLAPCSSAL-CJNGLKHVSA-N 501.496 0.156 5 10 KCBE O=C1CCCN1CCCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518712 RISGWORRXDYZKD-UHFFFAOYSA-N 519.570 0.908 5 10 KCBE O=C(NCCN1CCOCC1)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858976239 LVPIJZTTXXCVGQ-UHFFFAOYSA-N 505.553 0.887 5 10 KCBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867830952 QWZKESHRNCVNFQ-XHDPSFHLSA-N 515.526 0.481 5 10 KCBE C[C@H](NC(=O)[C@H](N)CC1CCC(O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 14954408 AAHHUPISDJCLQV-YAELJTEYSA-N 534.618 0.055 5 10 KCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)O1 1865733199 VMNSXHKAIIYCBQ-PSTGCABASA-N 529.506 0.094 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865734830 RGQLZDZFCVYCFC-OAHLLOKOSA-N 505.915 0.571 5 10 KCBE COc1cc(C(=O)NCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])cc1OC 1867794177 HGUPDEZAVZIHAD-LBPRGKRZSA-N 516.554 0.201 5 10 KCBE CC(C)(C)n1nc(N2CCN(CCO)CC2)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870009555 NCTOJNCPDWUMCW-UHFFFAOYSA-N 514.543 0.680 5 10 KCBE COCCN(CCOC)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575490 DREBQKBVLFWUOQ-UHFFFAOYSA-N 510.983 0.864 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1[N+](=O)[O-] 1872924120 UGAHITJOQAGWMW-GOSISDBHSA-N 503.556 0.961 5 10 KCBE COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 97977667 XHNMNLUMJHINIG-QMYPYWJLSA-N 670.577 0.038 5 10 KCBE Cc1c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O)cc2)cccc1[N+](=O)[O-] 1858979255 RRUREHIGSCVXMN-UHFFFAOYSA-N 521.508 0.064 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccccc1)=C(N)O2 1865715567 DSBLAVLUSGVYHM-SFHVURJKSA-N 521.486 0.774 5 10 KCBE CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1 35894652 UEQPZERYXCGKJV-GMAHTHKFSA-N 502.616 0.621 5 10 KCBE Cc1c(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869960784 GCKSXVFJQXUKDW-CYBMUJFWSA-N 508.517 0.767 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867360481 KWEORVRTYQCCPU-FUHWJXTLSA-N 514.944 0.137 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871705201 CPRDWCDLEDHGDS-UHFFFAOYSA-N 506.520 0.075 5 10 KCBE COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1[N+](=O)[O-] 1872943006 KROZWYZTXBGRJG-HOTGVXAUSA-N 508.553 0.498 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867790513 KCJNEORNJQSNOR-CTNGQTDRSA-N 563.633 0.738 5 10 KCBE CN(C[C@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867829260 DLCUTDOCKWJRCH-MRXNPFEDSA-N 529.915 0.684 5 10 KCBE COc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)CC2=O)cc1[N+](=O)[O-] 1873011173 LAYMDRIRBVNARJ-OAHLLOKOSA-N 506.541 0.829 5 10 KCBE NS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873016405 PABVDJSSXCAUIJ-ULQDDVLXSA-N 515.548 0.398 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575231406 FPUPORSBEXGRKK-VGAGUHPVSA-N 757.651 0.593 5 10 KCBE C[C@@H]1O[C@H](O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@H](O)[C@@H](N)[C@@H]1O 575231180 APKFDSVGJQXUKY-DJGFYYSHSA-N 924.091 0.712 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@H](Cc1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867832260 ATLJTQMLBQIVEL-LEWJYISDSA-N 501.496 0.653 5 10 KCBE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867794634 RQJPHAOQCCYFHE-HUUCEWRRSA-N 524.552 0.528 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1 1869954031 JTTZFLLXXAZFLP-UHFFFAOYSA-N 509.479 0.591 5 10 KCBE COCCNC(=O)COc1cn(CCN(C)C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870527607 YQOKESDZXNVBOF-UHFFFAOYSA-N 516.599 0.782 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](CO)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612248 DQYZTJGYJYAGFK-RURWIGRGSA-N 735.648 0.746 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](N)[C@H]3O)C[C@@H]1O2 1848433424 UAZIZEMIKKIBCA-ZIEUNFCASA-N 938.118 0.800 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccco1)=C(N)O2 1865717026 NPTVODDPIZYXCF-INIZCTEOSA-N 511.447 0.367 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867909669 ATEWMZHVGYXVBA-KBXCAEBGSA-N 514.944 0.137 5 10 KCBE CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869769642 IVOOIDFKJZKQGA-SFHVURJKSA-N 521.571 0.514 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867799499 FJMVBLZARTUGHY-URXFXBBRSA-N 528.610 0.865 5 10 KCBE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1865713872 KFINHVOUPFLINS-KRWDZBQOSA-N 509.475 0.717 5 10 KCBE CCN(CC)CCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865721431 ROYFNCVVMGFYQP-MRXNPFEDSA-N 502.528 0.241 5 10 KCBE CCCCN(CCO)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865736584 DOVLXRKYDWLZPD-HNNXBMFYSA-N 507.931 0.961 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1867909671 ATEWMZHVGYXVBA-KSSFIOAISA-N 514.944 0.137 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)CCN3CCOCC3)CC2)C(C)C)cc1[N+](=O)[O-] 1869805620 HQEFTLKVOODKBG-JOCHJYFZSA-N 534.570 0.959 5 10 KCBE CCN1CCN(c2nc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870043856 GBBPJZWGCPTAIH-CQSZACIVSA-N 523.572 0.957 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887491 SSKJMHLJNHUFHI-XWDORNJCSA-N 605.649 0.012 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@]2(O)C(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 888086364 IKUKTSWRXIBRQX-FPEOTQDNSA-N 735.648 0.134 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616587734 NAPXHRWKTGFZTP-LLAYRUFASA-N 757.651 0.593 5 10 KCBE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 1865738008 ZKGZHJRCLGTUHG-SJCJKPOMSA-N 513.507 0.717 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1867806855 OCLNEUREPCKJAY-QGZVFWFLSA-N 524.552 0.823 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821168 KHNXNAKDXNJOLB-CRAIPNDOSA-N 573.968 0.353 5 10 KCBE CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 94313184 FPUPORSBEXGRKK-CBUXPLGESA-N 757.651 0.593 5 10 KCBE NS(=O)(=O)c1ccc(CN2C(=O)C(NCCCN3CCOCC3)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1863592413 XULDMFRMJUIDCF-UHFFFAOYSA-N 529.575 0.834 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869755803 ZQBKLMFXRLUHSS-LJQANCHMSA-N 516.599 0.706 5 10 KCBE CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(N)=O 207017445 ZCPDCRLOZCWQCH-CQJMVLFOSA-N 657.794 0.562 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865726791 AJOYKUXSNVYXLZ-KVISUMCESA-N 523.546 0.887 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(Cl)c1 1867360483 KWEORVRTYQCCPU-WMZOPIPTSA-N 514.944 0.137 5 10 KCBE COCCN(CCOC)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707234 SFIRQCFMLOWRLY-UHFFFAOYSA-N 506.564 0.219 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 2332040958 SQRAXNCGOMCGOT-KRWDZBQOSA-N 503.541 0.900 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@H](Cc2ccccc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867807144 SWFHNMWPXUKQCC-AZUAARDMSA-N 516.551 0.762 5 10 KCBE CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2Nc2ccccc2)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 575231864 VMLZOUYCHMQKBP-GEYBJMSWSA-N 705.670 0.574 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@H](CO)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2=O)cc1OC 1867832852 HIZGTZQHKVMGEM-JXFKEZNVSA-N 559.532 0.818 5 10 KCBE COc1cc(C(=O)Nc2nc(N3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 1869961736 YLVDWONJAIAFAA-ZDUSSCGKSA-N 509.545 0.567 5 10 KCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCN1CCOCC1 1870397539 JSCUQACGOOLBKH-UHFFFAOYSA-N 503.556 0.920 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc1 1867793448 RUBDOSNKFAASCG-NFBKMPQASA-N 515.567 0.950 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1[N+](=O)[O-] 1872948692 LUTNUHKDUFIJCJ-NVXWUHKLSA-N 508.553 0.816 5 10 KCBE O=C(N[C@H](CO)C(=O)NC[C@@H](Cc1ccccc1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867791444 FAQSSWRMGJBQOO-DHIUTWEWSA-N 541.605 0.582 5 10 KCBE C[C@H](O[P@](=O)(O)N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@H]1O)c1ccccc1[N+](=O)[O-] 725424970 RPUSBABQVMLNSK-FCCPNZONSA-N 672.330 0.467 5 10 KCBE CN(CCO)Cc1cc(=O)c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1CCN1CCOCC1 1870590605 ZIXXKYZLXOAPFA-UHFFFAOYSA-N 504.540 0.958 5 10 KCBE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCOCCO 1870696483 JVZKJMRANBDDCY-UHFFFAOYSA-N 508.528 0.606 5 10 KCBE COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1=O 1873773185 WFTRXHZPNIDPLP-CQSZACIVSA-N 509.475 0.485 5 10 KCBE CCN1CCN(c2nc(=NCCCN3CCOCC3)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871706495 FYWIFPRMXKENQN-UHFFFAOYSA-N 501.592 0.652 5 10 KCBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1873692845 AIQCQNIBWRCPGK-QGZVFWFLSA-N 507.503 0.862 5 10 KCBE 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=CC=CC=C/C=C\C=CC=C/C=C\[C@H](C)[C@@H](O)[C@H]1C)O2 1848441855 APKFDSVGJQXUKY-KXLPDAASSA-N 924.091 0.712 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 1867795397 JAJNFFDWTNIZHT-BXKMTCNYSA-N 502.524 0.719 5 10 KCBE C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 725409078 WALULYOJRBINBA-OXJNMPFZSA-N 556.580 0.712 5 10 KCBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867830335 MOPIRGHTQWYIEA-DYVFJYSZSA-N 509.497 0.419 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCN3CCCC3=O)[nH]2)cc1[N+](=O)[O-] 1871617629 MOUFOZKLSQAUCT-UHFFFAOYSA-N 513.603 0.468 5 10 KCBE CCc1ccc(N=c2[nH]c(=NCCCN3CCOCC3)[nH]c(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871463475 CTBCBKXRERJKGO-UHFFFAOYSA-N 529.646 0.620 5 10 KCBE CCN(CCc1ccncc1)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865729413 OBYIEWFJTWFLEF-SFHVURJKSA-N 522.518 0.879 5 10 KCBE CCN1CCN(C(C)(C)CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 1867790822 APZWTNHJOOOEGX-IBGZPJMESA-N 506.604 0.054 5 10 KCBE CCc1ccc(N=c2[nH]c(N(CCOC)CCOC)nc(=NCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619449 NIHKSRIKBFTKMY-UHFFFAOYSA-N 504.592 0.773 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724240 JNCWYDKZEUGDFC-INIZCTEOSA-N 513.507 0.489 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1866901822 BQCWONUAYWSTPX-RBBKRZOGSA-N 561.617 0.642 5 10 KCBE CC(C)(C)n1nc(N(CCO)CCO)nc1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869953731 BPRJPQQBBCXPMS-UHFFFAOYSA-N 503.516 0.747 5 10 KCBE CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(=O)c5c(N)c(=O)c6ccc(C)c7c(=O)oc(c-5c67)c34)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H]1O 257457551 JRLWNUGRLOAQEN-QZHMHBMHSA-N 651.621 0.403 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887506 WKLALNSUIXPEGB-CTZQYXLCSA-N 681.703 0.372 5 10 KCBE CCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)OC 1772502403 BTBSGNCHEDEIJB-QMXOYERUSA-N 721.853 0.356 5 10 KCBE CC(=O)NCCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863230948 RFVDURHMZBDDMQ-UHFFFAOYSA-N 515.504 0.748 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1869755801 ZQBKLMFXRLUHSS-IBGZPJMESA-N 516.599 0.706 5 10 KCBE Cc1cc(C(=O)N=c2nc(N3CCN(c4ncccn4)CC3)[nH]n2[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1870075158 OYEGPLWACOKTDD-QGZVFWFLSA-N 527.567 0.645 5 10 KCBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2079743775 LXUSBVSVBLRAJQ-DIDWISKHSA-N 756.667 0.166 5 10 KCBE O=C(Nc1nc(N2CCC(CO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869979872 CCYNUWSTBUIVPJ-CQSZACIVSA-N 509.501 0.915 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 1867912062 PIEAZPOPWJDBMW-KDOFPFPSSA-N 549.389 0.790 5 10 KCBE Cc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1869955472 OVQJRWQUUUBVIE-UHFFFAOYSA-N 509.479 0.510 5 10 KCBE CN(C)c1nc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n([C@H]2CCS(=O)(=O)C2)n1 1869963807 CPKFIIPPHWPTQI-LBPRGKRZSA-N 505.513 0.627 5 10 KCBE CCOC(=O)[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])C1 1865736727 OLYSDHRRYLBNNS-XJKSGUPXSA-N 513.507 0.489 5 10 KCBE COc1nc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1 1891648920 KEOVNTRZYRFRDJ-KRWDZBQOSA-N 521.556 0.485 5 10 KCBE CN1CCC(N(C)C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1865725582 KARBMGSBMIGDEV-INIZCTEOSA-N 518.958 0.893 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867806939 PAYHXKLSSLVIPS-LJQANCHMSA-N 574.543 0.674 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N2CCN(CCO)CC2)nn1-c1ccccc1 1870010100 USKLACGLPAYRTR-UHFFFAOYSA-N 520.506 0.525 5 10 KCBE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 1873787435 KATIRLPVQHFJRL-UHFFFAOYSA-N 504.525 0.844 5 10 KCBE CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 504249957 YXEIIOVAGGAMCZ-XRSGRFKNSA-N 634.643 0.384 5 10 KCBE O=C(NCCN1C(=O)CSC1=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905045 CRVPBPYJGBCKKQ-HNNXBMFYSA-N 503.537 0.998 5 10 KCBE CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 504249956 YXEIIOVAGGAMCZ-WKKLGKKGSA-N 634.643 0.384 5 10 KCBE COc1cc(C(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867794632 RQJPHAOQCCYFHE-CABCVRRESA-N 524.552 0.528 5 10 KCBE COc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1869955545 STJLAAJFAJRJCT-UHFFFAOYSA-N 525.478 0.210 5 10 KCBE Nc1nc(O)c2nc(Nc3ccc4c(c3)Cc3cc([N+](=O)[O-])ccc3-4)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 725414547 NPGDUUMPIDZXLY-QTQZEZTPSA-N 507.463 0.949 5 10 KCBE CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867790887 LCUBZSQTIAQRLO-ZWKOTPCHSA-N 569.662 0.799 5 10 KCBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNS(=O)(=O)c1cccc2nonc12 1873694820 OSKHHDDLBWMEMY-UHFFFAOYSA-N 502.465 0.602 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 1867807501 ZQOLFHVPCHPPHW-YOEHRIQHSA-N 574.996 0.154 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869754323 RIZMTEVVGIHRFJ-NRFANRHFSA-N 546.625 0.333 5 10 KCBE Cn1nnc2c(N3CCN(C(=O)[C@@H]4CCCCN4S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)ncnc21 1891914551 NDBAWOGSYYAVTD-KRWDZBQOSA-N 515.556 0.559 5 10 KCBE CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790768 ZSDWIKOAHZPVGZ-IERDGZPVSA-N 541.561 0.949 5 10 KCBE CN(C[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1867882780 HIDHYKGFCVDKFT-PBHICJAKSA-N 514.944 0.137 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867845047 GAWBXWPANPFPLI-LJQANCHMSA-N 573.515 0.873 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1Nc1ccccc1 253493838 VMLZOUYCHMQKBP-TZDACTGUSA-N 705.670 0.574 5 10 KCBE C[C@H]1[C@@H](O)[C@H](C)C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@H]2O[C@@H](C)[C@H](O)[C@H](N)[C@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@H](O)[C@@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@@H]1C)C[C@@H](O)[C@@H]2C(=O)O 1085216830 APKFDSVGJQXUKY-LEEFQPPUSA-N 924.091 0.712 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865733059 AYQPRHCUACHQOK-GOSISDBHSA-N 519.518 0.431 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867834644 VESQUDGTVSREIL-WMZOPIPTSA-N 559.941 0.045 5 10 KCBE O=C(Nn1c(=O)c2cc3c(=O)n(NC(=O)c4cccc([N+](=O)[O-])c4)c(=O)c3cc2c1=O)c1cccc([N+](=O)[O-])c1 104665156 AGTUTJJUXXLFSK-UHFFFAOYSA-N 544.392 0.497 5 10 KCBE COc1ccccc1CN1C[C@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])OC1=O 1867807392 XYGWGTIETJKQQS-RDJZCZTQSA-N 532.506 0.849 5 10 KCBE CCc1ccc(N=c2[nH]c(N3CCN(C(C)=O)CC3)nc(=NCCCN3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1871619570 OEHNHMJJNAPBPS-UHFFFAOYSA-N 513.603 0.732 5 10 KCBE COc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1[N+](=O)[O-] 1872924121 UGAHITJOQAGWMW-SFHVURJKSA-N 503.556 0.961 5 10 KCBE CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886930 BDVVLNPNJZWEDW-BXYJTDFISA-N 576.607 0.539 5 10 KCBE C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868594036 KYOQOZXGXNMGAD-LJQANCHMSA-N 544.634 0.998 5 10 KCBE COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]3O)C[C@@H]1O2 1848433421 UAZIZEMIKKIBCA-DZLSQDQQSA-N 938.118 0.800 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)N1CCN(c3ccccn3)CC1)=C(N)O2 1865733062 AYQPRHCUACHQOK-SFHVURJKSA-N 519.518 0.431 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)cc1 1867791155 COFJSAPPCIXESU-WIOPSUGQSA-N 557.604 0.720 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC 1867361678 WOZQFJFZPBBKGZ-FXAWDEMLSA-N 514.535 0.910 5 10 KCBE CN(C)CCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865720824 FONHTVMGSSMOGG-HNNXBMFYSA-N 506.947 0.798 5 10 KCBE O=C(NCCN1C(=O)CSC1=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905046 CRVPBPYJGBCKKQ-OAHLLOKOSA-N 503.537 0.998 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1891631516 VLQNOKAYQFNFSR-UHFFFAOYSA-N 504.385 0.996 5 10 KCBE CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1Nc1ccccc1 77311763 VMLZOUYCHMQKBP-LRGKPCQCSA-N 705.670 0.574 5 10 KCBE in-vitro CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CO[C@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC[C@H]1OC(C)=O 253491617 NEQWPHZHKFBKPE-TYTSHSNSSA-N 613.525 0.730 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@H](CO)C1)=C(N)O2 1865736336 BQGPONMEUGZYSG-XHDPSFHLSA-N 505.915 0.571 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)cc1 1867805991 GDQZYJQAAIFQQS-FPOVZHCZSA-N 532.550 0.901 5 10 KCBE O=C(N[C@@H](CO)C(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788105 COCIGGICLGQQBQ-FQEVSTJZSA-N 511.535 0.965 5 10 KCBE COc1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1867794635 RQJPHAOQCCYFHE-LSDHHAIUSA-N 524.552 0.528 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 1548337518 DIGUUNRLVBJXKB-YRQZFKNUSA-N 966.128 0.889 5 10 KCBE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731868 ANVNYLDAEUBLLU-PXAZEXFGSA-N 513.507 0.859 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867772436 YDDILZFKOZDLNK-YOEHRIQHSA-N 549.389 0.790 5 10 KCBE COc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867806068 HHMVLBBOWPQHDH-MJGOQNOKSA-N 546.533 0.621 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] 1867836887 XNSZNGDRMCGXCR-JSGCOSHPSA-N 529.553 0.789 5 10 KCBE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869791483 YBXYZPFGRAUMQR-FQEVSTJZSA-N 552.610 0.748 5 10 KCBE O=C(NCCN1CCOCC1)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858645539 JDNQNTVPIOPXQV-UHFFFAOYSA-N 536.523 0.753 5 10 KCBE COC(=O)c1ccc(CNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1865715743 IPYFKAOSSUMZNQ-QGZVFWFLSA-N 521.486 0.790 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867831278 UGCFNGLUCPVSHJ-GOSISDBHSA-N 519.442 0.779 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 1867845300 GXIXVFMFUVGMSD-INIZCTEOSA-N 509.497 0.299 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CN3CCN(CCO)CC3)cc2=O)c([N+](=O)[O-])c1 1870697269 YRXNMOARWWGVAO-KRWDZBQOSA-N 519.555 0.273 5 10 KCBE Cn1c(=O)c2c(nc(I)n2C[C@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 606630473 PYQPWWFDMALIHU-VIFPVBQESA-N 501.237 0.386 5 10 KCBE CC(=O)N[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)[C@@H]1O 1772717779 DIGUUNRLVBJXKB-SEEVEHLZSA-N 966.128 0.889 5 10 KCBE in-vitro Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)=C(N)O2 1865728491 SZVSWLCITZMJBD-BCRMMHBESA-N 523.546 0.887 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1870015685 MDEWLSCBLJXIQF-AWEZNQCLSA-N 513.964 0.566 5 10 KCBE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865731869 ANVNYLDAEUBLLU-SJCJKPOMSA-N 513.507 0.859 5 10 KCBE CN1CCN([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 1867834130 QYZCEDFINMSQCE-SFTDATJTSA-N 500.512 0.699 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccccc2[N+](=O)[O-])CC1 1865725416 IVMYQWDQSXHQBW-INIZCTEOSA-N 513.507 0.489 5 10 KCBE CCCc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865585379 MCWKOLJXKXVUBI-HXUWFJFHSA-N 528.566 0.883 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccccc1)=C(N)O2 1865715566 DSBLAVLUSGVYHM-GOSISDBHSA-N 521.486 0.774 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867844863 LERHGERUUPRGFP-KRWDZBQOSA-N 531.478 0.654 5 10 KCBE CCOC(=O)C1CCN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)CC1 1865724923 BEFKGEMPKGYTDF-MRXNPFEDSA-N 529.506 0.194 5 10 KCBE CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867790884 LCUBZSQTIAQRLO-MSOLQXFVSA-N 569.662 0.799 5 10 KCBE Cc1c(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867822669 YWZPARMUWJNLRU-QUCCMNQESA-N 545.505 0.821 5 10 KCBE NS(=O)(=O)c1ccc(CCCNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 1867786266 ZCTUPODVLKWVFM-IBGZPJMESA-N 519.580 0.682 5 10 KCBE COc1ccc(CCN2C[C@H](CNC(=O)[C@@H](CO)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)CC2=O)cc1OC 1867795582 MGLGHZDOFKOMRH-AZUAARDMSA-N 557.604 0.976 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 575231645 NAPXHRWKTGFZTP-CDSRTTCCSA-N 757.651 0.593 5 10 KCBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1[N+](=O)[O-] 1867848000 VWGAUJWOWJVHMB-XLIONFOSSA-N 545.505 0.821 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578071 OJAUEQAOBBMVCZ-UHFFFAOYSA-N 507.939 0.847 5 10 KCBE O=C(N[C@H](CO)C(=O)NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867790784 ACMGDFSCDIPYSH-GOSISDBHSA-N 506.537 0.112 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC[C@@H](CO)C1)=C(N)O2 1865736333 BQGPONMEUGZYSG-ABAIWWIYSA-N 505.915 0.571 5 10 KCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1867804854 LSVDJMWKNOKFGW-UKRRQHHQSA-N 544.608 0.980 5 10 KCBE CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867833952 BPGUREXQTKQLQY-JKSUJKDBSA-N 529.553 0.871 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Oc3ccccc3[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253612369 KZSYMFJBBGZUFS-MIZQGXOYSA-N 757.651 0.593 5 10 KCBE CC(C)[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869753029 DZSDWIGYIIEIIC-RUZDIDTESA-N 560.652 0.579 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782239 VMXMUEUGZDLMHV-INIZCTEOSA-N 505.487 0.915 5 10 KCBE CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150352081 DQYZTJGYJYAGFK-NSKNNBPGSA-N 735.648 0.746 5 10 KCBE in-vitro COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(CCCN(C)C)C3=O)cc1[N+](=O)[O-] 1866611546 ZTXBXCDTPRZECB-SFHVURJKSA-N 513.507 0.881 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 1867829259 DLCUTDOCKWJRCH-INIZCTEOSA-N 529.915 0.684 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N2CCCC2)nn1[C@H]1CCS(=O)(=O)C1 1869971498 JZPBWWYYBFCICR-LBPRGKRZSA-N 503.497 0.381 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656515 VYWBUDSSCRRYKK-SJORKVTESA-N 541.560 0.294 5 10 KCBE NS(=O)(=O)c1ccc(CNC(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)cc1 1860852676 LDIPCFLKBBTMJG-UHFFFAOYSA-N 501.481 0.056 5 10 KCBE CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)CC1 1868594519 XTKUGNVUSGKAHM-UHFFFAOYSA-N 530.607 0.610 5 10 KCBE O=C1CSC(=O)N1CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871519236 NGDJGNVKRDEDPM-UHFFFAOYSA-N 516.540 0.818 5 10 KCBE COc1ccc(N2C[C@H](C(=O)NCCNC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2=O)cc1 1873708897 UFSMXRUESJAXBL-CQSZACIVSA-N 509.475 0.485 5 10 KCBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1Nc1ccccc1 253493839 VMLZOUYCHMQKBP-XHQUMDGBSA-N 705.670 0.574 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)NCCc1cnc[nH]1)=C(N)O2 1865724732 WPQOJAHRCPGSAJ-AWEZNQCLSA-N 501.887 0.422 5 10 KCBE CN(C[C@H](O)CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(=O)(=O)c1cccs1 1868050450 MUJSWBMLZQGMQW-CQSZACIVSA-N 510.550 0.830 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869740127 CFUSRYPHWNMTCJ-LJQANCHMSA-N 516.599 0.706 5 10 KCBE COc1ccc(CCNC(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714899 UFQWFCHLNRBQEO-SFHVURJKSA-N 523.502 0.760 5 10 KCBE NS(=O)(=O)c1ccc(Nc2nc(=NCCO)nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]2)cc1 1871509184 MTPQYKIBGUEYDE-UHFFFAOYSA-N 515.556 0.324 5 10 KCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867788486 ZXFVOXDHBFOLLJ-QGZVFWFLSA-N 569.662 0.799 5 10 KCBE COc1ccc(NC(=O)COc2cn(C[C@H]3CCCO3)c(CN(CCO)CCO)cc2=O)c([N+](=O)[O-])c1 1870696498 FONLJNUMADIVMI-LJQANCHMSA-N 520.539 0.748 5 10 KCBE CCN1CCN(c2nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520845 RICGSOAYPNVDBC-UHFFFAOYSA-N 513.584 0.769 5 10 KCBE COC(=O)c1cc(C(=O)N2CNS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc32)cc([N+](=O)[O-])c1 58901889 PDVHDKZMBUWCET-UHFFFAOYSA-N 504.886 0.578 5 10 KCBE Cc1nn(C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)N1CCN(CCO)CC1)=C(N)O2 1865585436 MSZSNLFBEJJRMM-LJQANCHMSA-N 500.512 0.239 5 10 KCBE CCc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656458 VNTUBCIUUBBODJ-RBUKOAKNSA-N 539.588 0.847 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867803581 XPTMRHRLXUWLQC-KRWDZBQOSA-N 534.497 0.888 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCc1ccco1)=C(N)O2 1865717027 NPTVODDPIZYXCF-MRXNPFEDSA-N 511.447 0.367 5 10 KCBE C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](N)[C@@H]1O 1082196237 YPGDXONAFDJWNU-SRLIORKSSA-N 926.107 0.958 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 1867792428 VGLJYPCTWZFLCC-HSZRJFAPSA-N 527.534 0.698 5 10 KCBE COc1cc2c(cc1OC)[C@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 1867807286 WAOMDGLPUBJNIG-UPCLLVRISA-N 519.507 0.670 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867912291 UMLMCNVIDLXXHD-SWLSCSKDSA-N 520.973 0.198 5 10 KCBE O=C(N=c1nc(N2CCN(c3ccccn3)CC2)[nH]n1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870053137 APGPXXUJNYCIQF-GOSISDBHSA-N 512.552 0.942 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869946493 KBBCDSWCLJVCMX-WEBJUUICSA-N 503.541 0.866 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCOCCO)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871578065 NXWLQSNPDRKFIZ-UHFFFAOYSA-N 510.939 0.720 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(N)=O 301055195 YHUKYRGKNPQLRF-WJHCDBIXSA-N 624.651 0.890 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](COC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1775953990 FPUPORSBEXGRKK-LWJDXIRBSA-N 757.651 0.593 5 10 KCBE in-vitro CN1CCN(CCCNc2cc3c(=O)n(CCCN4CCOCC4)c(=O)c4c(NCCCN5CCN(C)CC5)cc5c(=O)n(CCCN6CCOCC6)c(=O)c2c5c34)CC1 95592159 JOVJRDSWNCUWBX-UHFFFAOYSA-N 831.076 0.609 5 10 KCBE in-vitro COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H]2CN(Cc3ccc(F)cc3)C(=O)O2)c([N+](=O)[O-])cc1OC 1867806201 HOOBGEIKJSHAJO-WBVHZDCISA-N 520.470 0.979 5 10 KCBE NC(=O)C1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1870067190 SQRAXNCGOMCGOT-ZNNBYXKUSA-N 503.541 0.900 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC1CCC3(CC1)OCCO3)=C(N)O2 1865724412 MZNIKFLAIVFHEM-INIZCTEOSA-N 513.507 0.489 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867782226 RCLBXFRNTJYBQI-RDJZCZTQSA-N 555.635 0.409 5 10 KCBE COc1cc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N(C)C)cc(OC)c1OC 1867791417 DMSSHEXMOUPXGZ-UGKGYDQZSA-N 575.619 0.967 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 1867830969 RGSCBBIIIGLWOJ-AWEZNQCLSA-N 501.499 0.092 5 10 KCBE C[C@H](O)Cn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870356113 KYLAQVFBFUYSFO-SFHVURJKSA-N 503.556 0.337 5 10 KCBE CN1CCN(c2nc(=NCCN3C(=O)CSC3=O)[nH]c(=Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 1871577135 OWQUONRTDCSEOT-UHFFFAOYSA-N 507.964 0.880 5 10 KCBE Cn1c(O)nc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1=O 1891596053 UHWMOQPUPMCFJD-QGZVFWFLSA-N 506.541 0.286 5 10 KCBE NC(=O)COc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870665054 RYDPZNYHCVABMA-UHFFFAOYSA-N 512.567 0.955 5 10 KCBE O=C(O)c1cc(O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cccc34)c2c1 675082850 QFJIQUOMKJNYLI-ICZZPYIZSA-N 862.746 0.543 5 10 KCBE CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 2037545230 FPUPORSBEXGRKK-UOGFYGSISA-N 757.651 0.593 5 10 KCBE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCN3CCOCC3)cc2)ccc1[N+](=O)[O-] 1858648583 FBCITTJVKCKCJR-UHFFFAOYSA-N 521.552 0.854 5 10 KCBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1866611359 UUTXKZGLYNULIT-IBGZPJMESA-N 513.507 0.881 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1 1867883599 OEYWPCTZFOAPTD-YOEHRIQHSA-N 549.389 0.790 5 10 KCBE CCOC(=O)[C@H](NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 20609152 WQHOWILXYNVKPQ-UXHICEINSA-N 508.509 0.742 5 10 KCBE NS(=O)(=O)c1ccc(CCN=c2nc(N3CCOCC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871519801 ZCWQSOACFOZDRV-UHFFFAOYSA-N 500.541 0.506 5 10 KCBE NS(=O)(=O)c1ccc(CN=c2nc(N3CCC(CO)CC3)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)cc1 1871520308 LOIOJZZXVRURFA-UHFFFAOYSA-N 514.568 0.835 5 10 KCBE Cc1c(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867820094 ALFHCRYMDKDQKR-KRWDZBQOSA-N 509.497 0.299 5 10 KCBE C[C@@H]1CN(C(=O)C2=C(N)Oc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)O1 1865733201 VMNSXHKAIIYCBQ-QFSBIZTOSA-N 529.506 0.094 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867788598 IDSBUWRHDCGESY-QFIPXVFZSA-N 599.597 0.493 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCN(C)CC2)cc1 1867791726 GPOPFHQGWKFOTB-BVAGGSTKSA-N 570.647 0.636 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@@H](Cc2ccccc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 1867807146 SWFHNMWPXUKQCC-QUCCMNQESA-N 516.551 0.762 5 10 KCBE C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1872271701 TYFXDWLFPVVBMZ-MRXNPFEDSA-N 504.569 0.850 5 10 KCBE O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nc(N2CCN(CCO)CC2)nn1[C@H]1CCS(=O)(=O)C1 2331754575 JYAWRSQGFBRFFT-SFHVURJKSA-N 505.557 0.312 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C(=O)N1CCC(CO)CC1)=C(N)O2 1865734829 RGQLZDZFCVYCFC-HNNXBMFYSA-N 505.915 0.571 5 10 KCBE COc1ccc([C@@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCN(C)CC2)cc1 1867805414 CQNLSBKENWYSNC-IFMALSPDSA-N 545.593 0.816 5 10 KCBE CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](O[C@@H]2CO[C@H](Oc3ccccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O 253491615 NEQWPHZHKFBKPE-DSCXKPSLSA-N 613.525 0.730 5 10 KCBE CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 642886931 BDVVLNPNJZWEDW-CHOVKTHHSA-N 576.607 0.539 5 10 KCBE CN(C[C@H](O)CNC(=O)C(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867788182 VQLATIGPMWWXFU-LJQANCHMSA-N 563.633 0.738 5 10 KCBE Cc1cc(C(=O)N[C@H](CO)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)ccc1[N+](=O)[O-] 1867874544 NRJKUDQKXFZXNF-QUCCMNQESA-N 500.508 0.912 5 10 KCBE CC(=O)NS(=O)(=O)c1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)cc1 1863230551 JNMDOJCMQGERSV-UHFFFAOYSA-N 515.504 0.748 5 10 KCBE CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865733173 VGEYFORBNSIGFA-CQSZACIVSA-N 507.887 0.362 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867782772 DUNCYICJLKJGDD-INIZCTEOSA-N 509.585 0.842 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848436994 FPUPORSBEXGRKK-SACKTRLTSA-N 757.651 0.593 5 10 KCBE CC[C@](C)(NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869755650 ITDBGNXTGWPZOW-VWLOTQADSA-N 518.615 0.952 5 10 KCBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(N(CCO)CCO)nn1-c1cccc(Cl)c1 1869955627 RYTRDNPRWNZEIK-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE COc1ccc(C(=O)Nc2nc(N3CCN(C(C)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1869946033 AYYDPJCBJNKLST-OAHLLOKOSA-N 507.529 0.475 5 10 KCBE C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867781678 GDJRNAZPPTVPQW-MJGOQNOKSA-N 549.606 0.348 5 10 KCBE CCN(CCO)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706552 IACFARVXUUBIDZ-UHFFFAOYSA-N 518.556 0.454 5 10 KCBE C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 642887509 WKLALNSUIXPEGB-ZZQRAECTSA-N 681.703 0.372 5 10 KCBE C[C@H]1[C@@H](O)[C@H](C)C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@H](O)[C@@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@@H]1C)C[C@@H](O)[C@@H]2C(=O)O 1085216831 APKFDSVGJQXUKY-LTYHRUOPSA-N 924.091 0.712 5 10 KCBE CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867833950 BPGUREXQTKQLQY-HOTGVXAUSA-N 529.553 0.871 5 10 KCBE C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1867781676 GDJRNAZPPTVPQW-HKUYNNGSSA-N 549.606 0.348 5 10 KCBE COc1cc(C(=O)N[C@@H](CO)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1867807420 YHTHMVOIOBNARZ-INIZCTEOSA-N 510.525 0.099 5 10 KCBE COC(=O)c1ccc([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@H]3C(=O)N(CCn4cnc5c4c(=O)n(C)c(=O)n5C)C(=O)[C@H]32)cc1 247812535 DIDDTZLZLPTVEB-IJSWUQHMSA-N 659.612 0.140 5 10 KCBE CCCc1nn(C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C(=O)NCCNC(C)=O)=C(N)O2 1864893109 WCIUNMDVOZQAQN-SFHVURJKSA-N 500.512 0.999 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H]2O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575232221 DQYZTJGYJYAGFK-QSDUDVKYSA-N 735.648 0.746 5 10 KCBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863594375 OJANVYQJTAYXMG-UHFFFAOYSA-N 501.521 0.291 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724243 JOQKMUJXDIIKJO-QGZVFWFLSA-N 503.475 0.880 5 10 KCBE CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2Nc2ccccc2)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 575231868 VMLZOUYCHMQKBP-YVRQSOCJSA-N 705.670 0.574 5 10 KCBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NCc1nc3ccccc3[nH]1)=C(N)O2 1865724676 VBLGAAKRVFSAPL-KRWDZBQOSA-N 503.475 0.880 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCCO)c(CN3CCN(CCO)CC3)cc2=O)c([N+](=O)[O-])c1 1870697187 XGRQPJFQAIBMDW-UHFFFAOYSA-N 519.555 0.275 5 10 KCBE CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 301320183 SSDBXDGLQPOZGD-LTDCPUDJSA-N 562.580 0.293 5 10 KCBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1[N+](=O)[O-] 1866656512 VYWBUDSSCRRYKK-IAGOWNOFSA-N 541.560 0.294 5 10 KCBE C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1867788168 VJKYUGUVLOTSCZ-ZFWWWQNUSA-N 513.598 0.638 5 10 KCBE CN(C[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 1867912292 UMLMCNVIDLXXHD-WFASDCNBSA-N 520.973 0.198 5 10 KCBE CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1615168299 NVTQIDGQWGPKMN-FSGKZVOOSA-N 527.508 0.964 5 10 KCBE CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1867803205 BGWXSKLMUIQTSB-CRAIPNDOSA-N 538.579 0.918 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869946491 KBBCDSWCLJVCMX-UKTKYZJWSA-N 503.541 0.866 5 10 KCBE CCOC(=O)N1CCN(c2nc(=NCCNC(C)=O)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871708635 UZLASZUPERIZFW-UHFFFAOYSA-N 503.520 0.202 5 10 KCBE CN(C[C@@H](O)CNC(=O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1867779553 HLJNKRHXTMKIKM-SFHVURJKSA-N 519.580 0.723 5 10 KCBE COc1cc2c(cc1OC)[C@@](O)(CNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)CC2 1867822629 YKUFZQSIALGIDY-SBUREZEXSA-N 518.479 0.870 5 10 KCBE CCN(CC)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n([C@@H]2CCS(=O)(=O)C2)n1 1870057802 BILCRFYPASEAKA-GFCCVEGCSA-N 505.513 0.627 5 10 KCBE CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](Oc3cccc4c(=O)c5c(N)c(=O)c6ccc(C)c7c(=O)oc(c-5c67)c34)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O 3946668 JRLWNUGRLOAQEN-UPVXFFSBSA-N 651.621 0.403 5 10 KCBE COc1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCN(C)CC2)cc1 1867805415 CQNLSBKENWYSNC-IRLDBZIGSA-N 545.593 0.816 5 10 KCBE CN(C)S(=O)(=O)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12 1615819474 ZTRJYOZEISVWFZ-PDPLOHQNSA-N 515.592 0.929 5 10 KCBE COc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cc1[N+](=O)[O-] 1866903869 ZFIBESDOWDAALK-SFTDATJTSA-N 561.617 0.642 5 10 KCBE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1869788650 FGSFFRDQCAJEEQ-HSZRJFAPSA-N 520.543 0.795 5 10 KCBE Cc1cc(C(=O)N[C@@H](CO)C(=O)NC[C@H](O)CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] 1867873987 KWLNHNJWGWKHHC-WMZOPIPTSA-N 528.971 0.445 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869947292 YLXRHZRYHWHDEG-AWEZNQCLSA-N 522.500 0.375 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869947293 YLXRHZRYHWHDEG-CQSZACIVSA-N 522.500 0.375 5 10 KCBE CN(C)CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CCO)CC1 1870398635 WFVHPUDCFZFTAZ-UHFFFAOYSA-N 502.572 0.446 5 10 KCBE CC(=O)N1CCN(c2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 2331165427 KBBCDSWCLJVCMX-SFHVURJKSA-N 503.541 0.866 5 10 KCBE COc1ccc(NC(=O)COc2cn(CCOCCO)c(CN3CCN(C)CC3)cc2=O)c([N+](=O)[O-])c1 1870697005 TYKJCOUUESSTHY-UHFFFAOYSA-N 519.555 0.539 5 10 KCBE COC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867845046 GAWBXWPANPFPLI-IBGZPJMESA-N 573.515 0.873 5 10 KCBE NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)CC2=O)cc1 1873016483 QSAIKVBMNXORRO-KKUMJFAQSA-N 501.521 0.403 5 10 KCBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1Cl 1869955222 YLQVDLZYPSDGDD-UHFFFAOYSA-N 529.897 0.855 5 10 KCBE COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 97977669 XHNMNLUMJHINIG-JMNPVCETSA-N 670.577 0.038 5 10 KCBE in-vitro CCOC(=O)CN(C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865733171 VGEYFORBNSIGFA-AWEZNQCLSA-N 507.887 0.362 5 10 KCBE O=C(Nc1nc(N2CCN(CCO)CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1[N+](=O)[O-] 1870015686 MDEWLSCBLJXIQF-CQSZACIVSA-N 513.964 0.566 5 10 KCBE