smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758569 CKSLZVYZWAFDMZ-UHFFFAOYSA-N 456.890 3.108 5 1 JGBF C[C@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)O 40391409 YFQBWPXFSRKMBO-LBPRGKRZSA-N 468.469 3.244 5 1 JGBF CC(=O)N1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1 96939890 XXPXOIUWNDGYKQ-UHFFFAOYSA-N 482.449 3.194 5 1 JGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587274772 SMYLNUCNGVYSPB-UHFFFAOYSA-N 488.552 3.024 5 1 JGBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 587605354 CFEUYNKSULENSK-NRFANRHFSA-N 496.497 3.486 5 1 JGBF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cn(-c4ccc([N+](=O)[O-])cc4)c4ccccc34)N2C(=O)[C@@H]2CCCN12 963214060 JSBOFENNGKVKIY-WPFOTENUSA-N 482.500 3.109 5 1 JGBF Cc1nc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1Br 587263528 BOVMAAYJOAGCQQ-RMLUDKJBSA-N 451.237 3.379 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587868862 VTDXDEIFSZIDIZ-UHFFFAOYSA-N 462.344 3.407 5 1 JGBF O=[N+]([O-])c1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC2)o1 64436469 LKXZWHFDWRMZRS-UHFFFAOYSA-N 467.507 3.202 5 1 JGBF C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208841 UBSHUCLHTKPNRK-WATLYSKOSA-N 473.489 3.132 5 1 JGBF COc1cc(O)c2c(=O)c3cc([N+](=O)[O-])c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 38269704 CXDKCDVEZLHQFS-UHFFFAOYSA-N 461.478 3.036 5 1 JGBF CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(OC)cc3c(=O)c12 100808782 RQTYRDUMRBSACH-UHFFFAOYSA-N 463.625 3.226 5 1 JGBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205281 DBZKJMZJYFFOIO-DKIOLRDMSA-N 474.901 3.135 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N(C(C)=O)C(C)=O)c2c1 587620921 KHJSKKPUJVRZSO-UHFFFAOYSA-N 460.468 3.093 5 1 JGBF COc1cc(OC)c([C@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@@H]2CO)cc1O 2356397357 BLALPIPICZQYJH-DENIHFKCSA-N 482.441 3.257 5 1 JGBF C[C@@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73315419 SOXQIALCIFGGQU-QGZVFWFLSA-N 457.386 3.345 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134614 SAFFGUKMJSOMOC-IERDGZPVSA-N 466.542 3.029 5 1 JGBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587231157 MFJZHHNBAWOWIO-UHFFFAOYSA-N 490.314 3.181 5 1 JGBF NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084549 DZCMQLHMIPWQRU-IBGZPJMESA-N 486.575 3.252 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82136062 UBCCAVCXHBTOGB-UHFFFAOYSA-N 482.585 3.475 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085196 XVXZFOMHKLMEHF-IBGZPJMESA-N 451.508 3.222 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4036820 DLUBKKVMSHVWRR-GGAORHGYSA-N 460.446 3.314 5 1 JGBF CCOC(=O)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 169307101 AHQHYEXCYNZKFO-IAGOWNOFSA-N 485.541 3.097 5 1 JGBF COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857585586 DJLLHXKZHYRWEI-UHFFFAOYSA-N 455.492 3.012 5 1 JGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccccc1N 82082141 BMDZFMQLYQNCBN-LJQANCHMSA-N 453.524 3.371 5 1 JGBF CC1(C)C[C@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)c2cc([N+](=O)[O-])ccc2O1 84710977 MGXNUMODXMGFAJ-AWEZNQCLSA-N 464.887 3.180 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4ccc(Br)c(O)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263335 RRUUYGSJFJEYES-UHFFFAOYSA-N 460.288 3.422 5 1 JGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587271694 FSGIHUDEBRDOEY-KBPBESRZSA-N 489.204 3.285 5 1 JGBF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4048934 UWAUNRIRSAHYIH-FYYLOGMGSA-N 466.494 3.017 5 1 JGBF NCC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 169322633 VODMTJGRVGLIBJ-UHFFFAOYSA-N 488.470 3.381 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434176 RUEZPFLSJGVCJG-ZEZSNWMHSA-N 485.489 3.068 5 1 JGBF C[C@@]12O[C@@H](C[C@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356795247 LTAPSDDUMODIRU-HWVKDDBISA-N 467.437 3.207 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](OC(=O)[C@@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 299810343 SPSDRMFMSHXJGD-FYWVHRGXSA-N 495.572 3.064 5 1 JGBF CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)no2)CC1 68247153 RAHJZAHUQFGECT-UHFFFAOYSA-N 454.439 3.277 5 1 JGBF COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)O 35003008 OTELQQRWTMTRLI-WMZOPIPTSA-N 453.451 3.404 5 1 JGBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587384472 DXYYXTUTWUWPHI-QHCPKHFHSA-N 474.441 3.228 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@H](N(C)c4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1 28525807 KURFHWFPYZJMNJ-FNHZYXHNSA-N 489.504 3.139 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 82135427 DXMXLHMIRGDPHF-WBVHZDCISA-N 454.531 3.251 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](N(C)c4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c2)C(=O)O1 169358574 KURFHWFPYZJMNJ-UCLAIMLFSA-N 489.504 3.139 5 1 JGBF Cc1nn(Cc2ccccc2-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)c1[N+](=O)[O-] 587267339 IZTIPNUHTOTCGQ-UHFFFAOYSA-N 454.512 3.250 5 1 JGBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 963216719 AGIZNHIABFUJTH-LADGPHEKSA-N 462.506 3.040 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 768034 RUAZPCRASJZXKH-YIKPVDIZSA-N 490.944 3.424 5 1 JGBF O=C(NCc1ccccc1Cl)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82135773 GIVMTLSEQYSPPR-UHFFFAOYSA-N 453.886 3.472 5 1 JGBF N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCOC1 587248753 VOOLSJPZBWPAKU-RUZDIDTESA-N 457.442 3.419 5 1 JGBF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(N)c(C(=O)O)cc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587432210 ILPLNHUDKUWKMU-MQNRADLISA-N 472.409 3.119 5 1 JGBF CC(C)(C)OC(=O)N1C(=O)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857588557 NGMTZBIXUBWMOA-MRXNPFEDSA-N 461.496 3.137 5 1 JGBF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4050869 SMZIYPBONFSEPY-CYQBJMSVSA-N 471.510 3.227 5 1 JGBF CCOC(=O)C1=C(COCCc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726938 VNACHEYFXCMOKS-VXKWHMMOSA-N 481.505 3.414 5 1 JGBF COc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1 205653302 CCGXFNNEXOERED-UHFFFAOYSA-N 466.379 3.107 5 1 JGBF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 963508625 KQSHWHUDMBYFAS-PXNSSMCTSA-N 472.885 3.204 5 1 JGBF CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C1 40866483 NOEILPNYMNHHED-AWEZNQCLSA-N 456.499 3.028 5 1 JGBF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081492 DIQHQELVOJYALI-MRXNPFEDSA-N 460.556 3.454 5 1 JGBF COc1ccc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O 13380990 WQAYAASFEHKNCW-GHTZIAJQSA-N 452.415 3.248 5 1 JGBF biogenic NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1NCc1cc2ccccc2nc1-c1ccccc1O 73197577 XGMRPVHQOQZVAH-UHFFFAOYSA-N 494.485 3.473 5 1 JGBF Cc1noc(C)c1COC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1ccccc1 40918005 ZQOCYIZCPFTFBV-FQEVSTJZSA-O 457.484 3.233 5 1 JGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587273201 QPTRAHOIPCEQOU-KBPBESRZSA-N 460.752 3.056 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 770808 CXEAJKOYPBRHDH-KWRJERAUSA-N 499.520 3.337 5 1 JGBF CCOC(=O)C1=C(COCCc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726937 VNACHEYFXCMOKS-YADHBBJMSA-N 481.505 3.414 5 1 JGBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586938043 UJVZVACPKNRHIE-GFCCVEGCSA-N 451.486 3.152 5 1 JGBF O=C(O)c1nn(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1I 587185314 KMNFAAHPCCKMBQ-UHFFFAOYSA-N 470.230 3.207 5 1 JGBF Cc1ccc([C@@H](OC[C@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 13098043 DJKJEDRVBXWITK-RSYZFUPGSA-N 466.534 3.054 5 1 JGBF COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc(OC)c1O 13381004 FWFYBSKGLJPMRL-XMSQKQJNSA-N 482.441 3.257 5 1 JGBF biogenic O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cn(-c4ccc([N+](=O)[O-])cc4)c4ccccc34)N2C(=O)[C@@H]2CCCN12 963214053 JSBOFENNGKVKIY-FIXSFTCYSA-N 482.500 3.109 5 1 JGBF O=C(O)C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 27521334 YNCNUFDRUOIACX-NRFANRHFSA-N 484.461 3.170 5 1 JGBF CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(CC5CC5)no4)CC3)c2[N+](=O)[O-])cc1 40379555 FKWBGWZLMJQVTH-UHFFFAOYSA-N 499.553 3.251 5 1 JGBF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134722 ZOORWQHAGYHPBG-GOSISDBHSA-N 466.542 3.064 5 1 JGBF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050568 WIKLGCXJECSNPY-IFMALSPDSA-N 470.913 3.469 5 1 JGBF N=c1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1857761941 DRTNTVLZUVPGHX-UHFFFAOYSA-N 461.525 3.375 5 1 JGBF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050582 WIKLGCXJECSNPY-RBBKRZOGSA-N 470.913 3.469 5 1 JGBF O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1[N+](=O)[O-] 586943119 VZYMFRDWDAGIQA-UHFFFAOYSA-N 460.255 3.207 5 1 JGBF O=c1c2cc(Br)ccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12 1772646961 LMYUVVLDPNNOMF-UHFFFAOYSA-N 468.355 3.293 5 1 JGBF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1 587024283 SPLVWLYWRXSSHY-UHFFFAOYSA-N 455.294 4.023 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] 587937736 XCNJODTUAMCDDQ-UHFFFAOYSA-N 452.221 3.346 5 1 JGBF COc1cc(OC)c2c(=O)c3cc(N(C)C)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 40423319 RCYBOTAVHINFPJ-UHFFFAOYSA-N 473.577 3.497 5 1 JGBF Cc1nc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1Br 587263530 BOVMAAYJOAGCQQ-XLKFXECMSA-N 451.237 3.379 5 1 JGBF CN(C)c1ccc2c(-c3ccc(N4C(=O)C=CC4=O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 34781484 GXCPCIODYFPPQV-UHFFFAOYSA-O 482.516 3.430 5 1 JGBF CCCc1cc(C(C)=O)ccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 59966663 KBSHAWJFLFEBKL-MRXNPFEDSA-N 457.435 3.381 5 1 JGBF COc1ccc([C@@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@H]2CO)cc1O 238779485 UAVLWISCGBKCAX-RXVVDRJESA-N 452.415 3.248 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726915 XFHQCFSZOLAQEE-PMACEKPBSA-N 454.483 3.436 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 586948432 IEVFFHIRVAUJBZ-UHFFFAOYSA-N 458.481 3.032 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586949458 WYHVSTKIWIMOJL-UHFFFAOYSA-N 476.478 3.223 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587262851 IJZXTGLXDZPPPK-BPUTZDHNSA-N 472.523 3.033 5 1 JGBF Cn1c(=O)c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 653791271 CHSTYXBJKYNEJY-UHFFFAOYSA-N 494.464 3.434 5 1 JGBF CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C 1812534 JYZLPVPMDCADRR-JKSUJKDBSA-N 483.458 3.286 5 1 JGBF CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1OC 8591456 DXKUQWIDSXPJGS-RMLRFSFXSA-N 498.495 3.217 5 1 JGBF O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] 473119918 NURSUPKKVBTPQG-UHFFFAOYSA-N 455.492 3.133 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267069 FDZIZGKGEGIEOV-ZDUSSCGKSA-N 456.484 3.395 5 1 JGBF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040769 KVUASNLDNICEQQ-LRQRDZAKSA-N 460.918 3.293 5 1 JGBF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4041579 WPHVSNGLFUKSIZ-IFMALSPDSA-N 454.483 3.398 5 1 JGBF O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1cn(-c2ccccc2[N+](=O)[O-])nn1 103279644 CSLZMLCEHXJXOM-LSCVHKIXSA-N 451.420 3.141 5 1 JGBF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 587078773 BAVICXKVMPRDIZ-UHFFFAOYSA-N 493.933 3.363 5 1 JGBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O 587574713 GUJTYHZTETURPE-NFBKMPQASA-N 467.386 3.475 5 1 JGBF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4050936 MMTYACMODRMLNU-UODBTFMRSA-N 489.484 3.135 5 1 JGBF C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 13492790 PGKSTNVRTSJCJO-RLWLMLJZSA-N 497.615 3.159 5 1 JGBF O=[N+]([O-])c1ccccc1CO[C@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881238 UHXNRRQHOOUQNZ-ZWKOTPCHSA-N 454.264 3.446 5 1 JGBF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4048937 UWAUNRIRSAHYIH-GMAHTHKFSA-N 466.494 3.017 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN(C)c1ccc([N+](=O)[O-])c2nonc12 587868971 YOYCVLQBOSNCPT-UHFFFAOYSA-N 477.359 3.194 5 1 JGBF CC(=O)NC1=NN(C(C)=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)S1 1772585287 RYXOFWLXQLIRLX-FQEVSTJZSA-N 450.480 3.449 5 1 JGBF O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 768596 XPDQQKSNDHYRMW-PZJWPPBQSA-N 493.347 3.442 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82136102 CEQAMUHVRDEGBZ-HXUWFJFHSA-N 488.548 3.416 5 1 JGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587265547 WBCDXNVEDRUOLJ-ANLVUFKYSA-N 461.744 3.327 5 1 JGBF CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](=O)[O-])cc1)n2CCC(N)=O)C1CCCCC1 28822745 BADPLEONPHCMDZ-UHFFFAOYSA-N 492.536 3.477 5 1 JGBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(S(C)(=O)=O)CCN1C3 72113242 PRJMYZLVAGDEFA-HNNXBMFYSA-N 456.564 3.021 5 1 JGBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O 587574716 GUJTYHZTETURPE-REWPJTCUSA-N 467.386 3.475 5 1 JGBF O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1F 201471585 JWNWIPQMZJYCPF-UHFFFAOYSA-N 451.823 3.452 5 3 JGBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054572 ZJWDBHSROYPIDG-DKIOLRDMSA-N 474.901 3.135 5 1 JGBF COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1 34800790 WRQSPUBXUINRNJ-UHFFFAOYSA-N 456.418 3.203 5 1 JGBF CCOC(=O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 169307103 AHQHYEXCYNZKFO-DLBZAZTESA-N 485.541 3.097 5 1 JGBF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1 587024338 VYYATHNLCHIQGM-UHFFFAOYSA-N 455.294 4.023 5 1 JGBF COc1ccc(-n2nnc(C)c2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 84652675 VQQYETWZSUEANW-UHFFFAOYSA-N 456.890 3.108 5 1 JGBF COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 586975009 IOPLWXCCGPMRFN-OAHLLOKOSA-N 452.221 3.207 5 1 JGBF O=C(c1cn(Cc2ccc(OC(F)(F)F)cc2)nn1)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857750944 BPGPJSBBEPDNJS-UHFFFAOYSA-N 473.371 3.004 5 1 JGBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135315 YDRPNCSCYLWBEL-SCTDSRPQSA-N 480.569 3.404 5 1 JGBF CCOC(=O)c1cc2ccc(OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)cc2oc1=O 1857612569 DILNHTWAOXZBAD-UHFFFAOYSA-N 450.407 3.097 5 1 JGBF CCCc1c(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)ccc(C(=O)CC)c1O 169338649 WQCLBYRRQMSWGP-ZDUSSCGKSA-N 487.461 3.476 5 1 JGBF CN(C)CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086179 AOFVXMOKSLDFJY-IBGZPJMESA-N 498.561 3.138 5 1 JGBF N=c1sc(=S)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCOCC4)cc3)c12 101700670 MCKKVVXMQZOBGV-UHFFFAOYSA-N 456.578 3.236 5 1 JGBF CC[C@@](O)(C(=O)O[C@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccccc3)[C@H]12)c1ccccc1 254093845 SPSDRMFMSHXJGD-YQJWOOEGSA-N 495.572 3.064 5 1 JGBF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587552649 BFBSKHKNDWISEC-RBUKOAKNSA-N 472.413 3.203 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](OC(=O)[C@@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 29322654 SPSDRMFMSHXJGD-OJINDYBVSA-N 495.572 3.064 5 1 JGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587261908 DYGUCVLEDZVHOT-GFCCVEGCSA-N 462.484 3.073 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390941 SOHSHBUATYYPMT-YOJAFSQSSA-N 472.494 3.168 5 1 JGBF N=C(N)c1ccc2nc(-c3cc([C@H](CC(=O)O)C(=O)O)cc(-c4ccccc4[N+](=O)[O-])c3O)[nH]c2c1 14956833 PFMNUTNXLWAKMB-AWEZNQCLSA-N 489.444 3.438 5 1 JGBF COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82082816 OVGRHQXXOALJGU-ZDUSSCGKSA-N 470.507 3.170 5 1 JGBF O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103286631 RRBNOQUJGOQNAF-UHFFFAOYSA-N 497.920 3.230 5 1 JGBF Cc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1 263592173 MRBINCMUBDCBPR-DHLKQENFSA-N 460.490 3.418 5 3 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@@H](C)[C@@H](O)[C@@](C)(O)[C@@H]3O)ccc(O)c12 11592980 BJPYMDSMDBCKEP-RSWZLXQCSA-N 496.512 3.063 5 1 JGBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 49785576 BLGMHJNMFMHBPM-JOCHJYFZSA-N 466.446 3.475 5 1 JGBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(I)cnc(Cl)c2[nH]1 587264816 KIFRLFIADQZQQF-QMMMGPOBSA-N 459.631 3.072 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1[C@]1(C)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963706603 VWXNYLPBHDGVGT-NLJOTIRTSA-N 489.528 3.199 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207172 UZMAMQLFEBNRQX-WEMWZYORSA-N 487.896 3.488 5 1 JGBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963234662 VEFDFDCPCDMQCV-AUSIDOKSSA-N 463.881 3.421 5 1 JGBF CCOC(=O)c1cn(Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)c2ccc(Cl)cc2c1=O 1911574364 VSIXTPSYUISRIW-UHFFFAOYSA-N 453.842 3.369 5 1 JGBF Cc1ccc(CNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1 59837325 MRBINCMUBDCBPR-RDGATRHJSA-N 460.490 3.418 5 3 JGBF COc1ccccc1N1CCN(CCN2C(=O)c3cc([N+](=O)[O-])ccc3[C@]2(O)c2ccccc2)CC1 13776812 WTGGHNJPPRILSN-HHHXNRCGSA-N 488.544 3.075 5 1 JGBF COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 169689634 PPVDEZJBVQHRRC-HZPDHXFCSA-N 483.458 3.204 5 1 JGBF CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 40876033 DHLDJNLQHZPGSZ-OAHLLOKOSA-N 472.542 3.448 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586949505 XPEGBDBJFYMLPW-UHFFFAOYSA-N 488.503 3.494 5 1 JGBF O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1ncc2ccc(Cl)cc2c1=O 587655143 SQEITZQJMAMYOL-UHFFFAOYSA-N 484.877 3.447 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148818 IHAOTSQJEJRSIF-AOIWGVFYSA-N 480.569 3.404 5 1 JGBF NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=O)NCc1ccccc1)C2 103257809 XBFKODIJWBYQBQ-UHFFFAOYSA-N 485.547 3.337 5 1 JGBF CCN(CC)CCNC(=O)c1ccc(I)c2c(=O)c3ccccc3[nH]c12 40847830 IBXRFVAYHFBSAZ-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2)c2ccccc12 73220123 UBAIZJLQVHNVDM-JOCHJYFZSA-N 477.477 3.493 5 1 JGBF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587119451 XXCAASNEUKMOIV-UHFFFAOYSA-N 466.401 3.049 5 1 JGBF COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82082817 OVGRHQXXOALJGU-CYBMUJFWSA-N 470.507 3.170 5 1 JGBF O=C(NC1CCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2ccccc2)CC1 20108524 ADSUMCQNKPIXLS-HSZRJFAPSA-N 452.511 3.246 5 1 JGBF Cc1ccc(-c2cc(CN(Cc3cccc([N+](=O)[O-])c3)[C@H](Cc3c[nH]cn3)C(N)=O)no2)cc1 29558635 RTRNCNLPEIBEMG-JOCHJYFZSA-N 460.494 3.380 5 1 JGBF O=C(O)C[C@@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586888048 HDHXDQMJEAOAOY-ZDUSSCGKSA-N 474.425 3.223 5 1 JGBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587230549 HVKDNKVYIUOKKZ-UHFFFAOYSA-N 490.314 3.181 5 1 JGBF COc1cc([C@H]2Oc3c(O)cc4c(=O)c5ccccc5oc4c3O[C@H]2CO)cc(OC)c1O 14718239 UCBWYFQQXLZEPP-GHTZIAJQSA-N 452.415 3.248 5 1 JGBF biogenic COCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc([N+](=O)[O-])c2)n1 82136149 CNOOMPJLYRKMKF-UHFFFAOYSA-N 451.483 3.091 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175701 MQPVARYKOKOKJV-XVSRIUFKSA-N 480.569 3.400 5 1 JGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 169726947 QUSGBELKKOHECA-WOJBJXKFSA-N 454.483 3.435 5 1 JGBF Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 139320277 LMGYOVCTHHEWCG-UHFFFAOYSA-N 479.300 3.279 5 1 JGBF Cn1nccc1-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 641718904 YEYSPKXKUXIBNL-UHFFFAOYSA-N 471.542 3.163 5 1 JGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850690 RLNQAJHCLRINKG-ADLMAVQZSA-N 457.321 3.319 5 1 JGBF O=C(O)c1cnn(-c2ccc(Cl)cc2)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857767659 NBRLFBUYZGQHSB-UHFFFAOYSA-N 454.782 3.491 5 1 JGBF COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O 13380991 WQAYAASFEHKNCW-RXVVDRJESA-N 452.415 3.248 5 1 JGBF biogenic,in-vitro CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134709 RUBUMKKRXZNZQT-UHFFFAOYSA-N 466.542 3.030 5 1 JGBF Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5cccnc5)cc4c(=O)c3c2)cn1 95582345 HTDAHSVHHZQYQR-UHFFFAOYSA-N 471.542 3.163 5 1 JGBF C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1 29232954 KPCYEEKJNZWMNU-UUOWRZLLSA-N 488.544 3.216 5 1 JGBF Cn1nc(C(=O)O)c(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587179981 BRDZIPQQRXLYMU-UHFFFAOYSA-N 470.230 3.363 5 1 JGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 772375 DFSGNAOBYLYIPC-TZIWHRDSSA-N 491.928 3.492 5 1 JGBF O=C(NC1CCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2ccccc2)CC1 20108522 ADSUMCQNKPIXLS-QHCPKHFHSA-N 452.511 3.246 5 1 JGBF CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 96905720 CDFMYMZCIVELAF-LBPRGKRZSA-N 489.454 3.397 5 1 JGBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C=C(C)OC(=O)/C1=C\NNc1cccc([N+](=O)[O-])c1 963614143 WGFVFFPPEZKHSV-LMMWUDKUSA-N 466.494 3.303 5 1 JGBF O=C(C[C@@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 1772603370 PGZYYMFVGCZYJW-JOCHJYFZSA-N 457.490 3.430 5 1 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4274905 XODADJJVJAXHID-MAODMQOUSA-N 474.514 3.122 5 1 JGBF COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O 35003014 OTELQQRWTMTRLI-AEFFLSMTSA-N 453.451 3.404 5 1 JGBF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)cc2)c1C 1857751578 SNTYHYJDMXPYME-UHFFFAOYSA-N 484.446 3.359 5 1 JGBF CCOC(=O)C1=C(C)NC(=S)N(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 26578184 YKNGHCPXBSRJAV-GOSISDBHSA-N 461.521 3.052 5 1 JGBF Cn1c2ccccc2c2c(=O)n(CCCC(=O)NCCc3c[nH]cn3)c3c(-c4ccccc4)nnn3c21 29052855 QTKVHGJQEWRSKU-UHFFFAOYSA-N 494.559 3.065 5 1 JGBF CN1CCN(CC2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CC1 1857766755 UIXCEBWMNWMBIU-UHFFFAOYSA-N 471.505 3.047 5 1 JGBF COc1ccccc1CCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135002 CKOKKSYGDKRJMS-UHFFFAOYSA-N 463.494 3.187 5 1 JGBF CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 95601836 MGMOKADAOMMPSF-UHFFFAOYSA-N 495.557 3.299 5 1 JGBF CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 26647317 XEFCJKQFTQLWHX-INIZCTEOSA-N 460.295 3.407 5 1 JGBF NCCNCCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 96932826 JTQUPMUKBFKQFJ-UHFFFAOYSA-N 463.494 3.058 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@](C)(O)[C@@H](O)[C@@H]3O)ccc(O)c12 2356455384 QURCHVLXAUSXGW-YKLWVCMTSA-N 496.512 3.063 5 1 JGBF COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc([N+](=O)[O-])c(F)c(C)c2Cl)c1 1772611758 WFIKFJIEAAJWSY-UHFFFAOYSA-N 464.881 3.486 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@@H]2C=CC=C[C@@H]12 195488612 ZPJRZGXHUHSGBE-WBTYWQJWSA-N 464.405 3.024 5 1 JGBF O=C(c1[nH]nc([N+](=O)[O-])c1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654688 YLBGSHJZJMLWOJ-UHFFFAOYSA-N 476.193 3.424 5 1 JGBF COC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 1749684 PPVDEZJBVQHRRC-CVEARBPZSA-N 483.458 3.204 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4274912 AVCXBQOFVPTYKC-WTNAPCKOSA-N 490.557 3.411 5 1 JGBF O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1CCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 26674849 LGOPTXVXIAQSOD-WOJBJXKFSA-N 474.520 3.351 5 1 JGBF C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208840 UBSHUCLHTKPNRK-STWLZBDKSA-N 473.489 3.132 5 1 JGBF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587552648 BFBSKHKNDWISEC-OALUTQOASA-N 472.413 3.203 5 1 JGBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 963142665 KUKKTVCYVYJGRI-TZMCWYRMSA-N 450.429 3.295 5 1 JGBF O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)(O)O)P(=O)(O)O)cc1 40956739 XRMZTRNNTLSGLV-FMIVXFBMSA-N 456.309 3.427 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@@H]21 254209939 ZPJRZGXHUHSGBE-CHOVKTHHSA-N 464.405 3.024 5 1 JGBF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cnc(N)c([N+](=O)[O-])c5)[nH]c4c3)cc2)CC1 587268173 MTMCBUJOQHILGE-UHFFFAOYSA-N 486.536 3.115 5 1 JGBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4077382 SJVHYROVFYTNJN-SYYKKAFVSA-N 499.955 3.191 5 1 JGBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149212 XACUDUMDNGZGEZ-DOTOQJQBSA-N 454.531 3.251 5 1 JGBF CCOc1cc(OC)cc2c1c(=O)c1cc(N)c(N3CCN(c4ccccn4)CC3)cc1n2C 40423015 PFYZVDVVMSTKSQ-UHFFFAOYSA-N 459.550 3.403 5 1 JGBF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73315428 GPPMMNDQJWTARN-KRWDZBQOSA-N 475.376 3.484 5 1 JGBF COc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148505 QWBSOHCLEIBBIW-UHFFFAOYSA-N 463.494 3.187 5 1 JGBF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4054664 FWPDMIPZLZIMJB-JBYOLUDKSA-N 477.901 3.244 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726914 XFHQCFSZOLAQEE-UXHICEINSA-N 454.483 3.436 5 1 JGBF COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 72173422 NPGBHHBYDAPGFD-UHFFFAOYSA-N 480.565 3.438 5 1 JGBF CC1(C)CC(=O)c2c(O)ccc3c2N1C(=O)[C@@]31C[C@]2([N+](=O)[O-])CN3CCC[C@@H]3C[C@H]2C1(C)C 2356829033 BODXCOIFDQVMAL-JVHLNWITSA-N 453.539 3.271 5 1 JGBF O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081330 GNMAZMJMNSWOHO-SFHVURJKSA-N 471.583 3.173 5 1 JGBF O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 84713936 JHJNVTSDQNNSQN-HKBOAZHASA-N 459.414 3.344 5 1 JGBF COc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103288269 MPBQUJYWSXYDOL-UHFFFAOYSA-N 482.949 3.331 5 1 JGBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] 587268009 VPZKWEXOXCEECY-UHFFFAOYSA-N 454.512 3.250 5 1 JGBF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857588020 YMWIOBJQAHQQRG-MRXNPFEDSA-N 468.356 3.055 5 1 JGBF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC 587944056 YAXYAWJDHBGGOS-VIFPVBQESA-N 475.223 3.041 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82136178 KGLJCPCWDFECOL-UHFFFAOYSA-N 456.547 3.354 5 1 JGBF COCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 82148808 JWBAIOLCVHEKOJ-UHFFFAOYSA-N 465.466 3.159 5 1 JGBF N=C(N)c1ccc2[nH]c(-c3cc(C[C@@H](N)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 26379515 GDJRUOYFWQVBRL-LJQANCHMSA-N 459.462 3.354 5 1 JGBF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081501 PISPYECQOALEMC-AEFFLSMTSA-N 458.540 3.208 5 1 JGBF CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085441 UXEZEFVXPCOBPC-QGZVFWFLSA-N 461.496 3.209 5 1 JGBF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC(N4CCCCC4)CC3)nc21 28868091 LJIPWHNZXUXLAH-UHFFFAOYSA-N 457.531 3.213 5 1 JGBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 587859602 GCTFHQCASKEDPS-UHFFFAOYSA-N 477.268 3.146 5 1 JGBF CC(=O)c1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 28949871 MWGZIXFRKZVJAV-IPVFLDMMSA-N 476.577 3.181 5 1 JGBF Cc1c(NC(=O)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c(=O)n(-c2ccccc2)n1C 2643816 DFHPDPCZBHWHKS-IBGZPJMESA-N 485.928 3.439 5 3 JGBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 13878926 UMBKIRRMZLGZIN-GOSISDBHSA-N 475.343 3.455 5 3 JGBF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148127 KNIZCEYXQSFCPC-SFHVURJKSA-N 466.542 3.064 5 1 JGBF CC(C)(C)c1ccccc1N1CCN(C[C@H](O)COCCOc2cccc([N+](=O)[O-])c2)CC1 103254644 NWMJVDXRGJRXTA-NRFANRHFSA-N 457.571 3.471 5 1 JGBF C[C@@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 40791295 IGAVOCQXAVBMFG-CJNGLKHVSA-N 482.468 3.194 5 1 JGBF CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085440 UXEZEFVXPCOBPC-KRWDZBQOSA-N 461.496 3.209 5 1 JGBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850694 RLNQAJHCLRINKG-VOJFVSQTSA-N 457.321 3.319 5 1 JGBF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 103257223 YFLMLLFWUBMJHP-IRXDYDNUSA-N 466.560 3.171 5 1 JGBF CCOC(=O)c1c(-c2cncn2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621090 NKMVDKJBXRNISZ-UHFFFAOYSA-N 499.505 3.463 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 587667011 FUKXNFVXZLMSQL-UHFFFAOYSA-N 462.466 3.060 5 1 JGBF CN(C)C(=O)N1CCC(n2c(=O)cnc3cnc4cc(F)c(-c5ccc(N)nc5)cc4c32)CC1 1772590942 ZUOXFYIXJVYENU-UHFFFAOYSA-N 461.501 3.047 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 4212516 XUOJCNYSVJASFG-GOTSBHOMSA-N 492.573 3.074 5 1 JGBF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCNc1ccc([N+](=O)[O-])cc1 5543186 CNCZXJNXDKNYKA-UHFFFAOYSA-N 454.487 3.038 5 1 JGBF O=c1[nH]c(-c2ccc(-c3nc(=O)c4ccc([N+](=O)[O-])cc4[nH]3)cc2)nc2cc([N+](=O)[O-])ccc12 17196214 PQZIJTSPWAEBHJ-UHFFFAOYSA-N 456.374 3.310 5 1 JGBF C/C(=C\c1ncc(-c2ccc([N+](=O)[O-])s2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 27181970 AUTPSEXQJQWINW-AQUDXKBXSA-N 494.566 3.016 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)NCCc2cc(C)c(F)cc21 962088998 FJRWCSSLBIBUPM-OWSXEPHWSA-N 460.502 3.362 5 1 JGBF COc1ccc([N+](=O)[O-])cc1C[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1Nc1ccccc12 27212131 AZNNPKRJKPDWFO-GOUQPXDXSA-N 498.539 3.178 5 1 JGBF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4050871 SMZIYPBONFSEPY-PKPOIIKBSA-N 471.510 3.227 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 587391760 YKXUZDJFLNZMJJ-XMMPIXPASA-N 459.414 3.219 5 1 JGBF O[C@@H]1C[N+]2(Cc3ccc(OCCOc4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 1857538042 AZOALHFUVDKBMY-ABQLLHCPSA-N 494.676 3.347 5 1 JGBF NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 13878927 UMBKIRRMZLGZIN-SFHVURJKSA-N 475.343 3.455 5 3 JGBF O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772071 PKSAWTLJPMAQSY-FPOVZHCZSA-N 493.347 3.442 5 1 JGBF NCCNCCCCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 96932827 VIDZGJKKGJUXSH-UHFFFAOYSA-N 477.521 3.449 5 1 JGBF Cc1nc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1Br 587263527 BOVMAAYJOAGCQQ-CLAHSXSESA-N 451.237 3.379 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587746113 JBIOJXMPUZRVEO-GIPWTMENSA-N 465.275 3.406 5 1 JGBF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4054665 FWPDMIPZLZIMJB-RFVSGWPVSA-N 477.901 3.244 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc([N+](=O)[O-])cn3)c2c1 587621288 RXGCXPZRBHTNDV-UHFFFAOYSA-N 472.439 3.288 5 1 JGBF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(-n4ccnc4)cc3)n2)nc1 1772634658 PBNLPRTWTQARAH-UHFFFAOYSA-N 468.481 3.342 5 1 JGBF O=C1CN(c2ccccc2)C(=O)[C@H](Cc2c([C@@H](O)c3ccccc3[N+](=O)[O-])[nH]c3ccccc23)N1 1857562066 CYKJCGHKSZONPS-OFVILXPXSA-N 470.485 3.232 5 1 JGBF CN(C)CCCn1c(=O)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32 5847471 FJKOGZKQZGBRLU-UHFFFAOYSA-N 466.542 3.022 5 1 JGBF CC(=O)NCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135928 HFPGOPYZUPZLJG-UHFFFAOYSA-N 468.901 3.183 5 1 JGBF COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1 586940593 ATHOUMFKVHEWNK-UHFFFAOYSA-N 470.916 3.112 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4205293 JFNREEWTBONDSB-YIKPVDIZSA-N 490.944 3.424 5 1 JGBF COC(=O)CN1CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1 72113243 QJMDJUSTAYMYOH-INIZCTEOSA-N 450.535 3.234 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134620 SAFFGUKMJSOMOC-HRAATJIYSA-N 466.542 3.029 5 1 JGBF O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 13831778 CJDCIPZSEQCGGH-OAQYLSRUSA-N 451.410 3.387 5 3 JGBF CCN(CC)CCNC(=O)c1cccc2c(=O)c3c(I)cccc3[nH]c12 40379428 NBTXJLZDNXXQON-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF O=C(CCCCCCCCCCCN1CCOCC1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 40394853 ADKKZEXQGHUEBR-ILBGXUMGSA-N 479.618 3.339 5 1 JGBF O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)c(F)cc2c1=O 103168524 NSNYZRFAOKNBKX-UHFFFAOYSA-N 466.469 3.404 5 1 JGBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148713 DUQRTFIOFFZROK-HKUYNNGSSA-N 480.569 3.371 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 95603639 KCNOCZKBJCEGIR-UHFFFAOYSA-N 495.557 3.347 5 1 JGBF O=[N+]([O-])c1ccc(OCc2cn(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nn2)cc1 96933875 JXAJMHIKIOGJBV-UHFFFAOYSA-N 479.518 3.276 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] 586940734 DSOXVJGDKBGTHF-UHFFFAOYSA-N 482.853 3.085 5 1 JGBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 29128212 AMYAQFJWBNTCIJ-KRWDZBQOSA-N 486.897 3.312 5 1 JGBF CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C1 40866481 NOEILPNYMNHHED-CQSZACIVSA-N 456.499 3.028 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148041 OZJLWIUPCRLVAA-UHFFFAOYSA-N 466.542 3.030 5 1 JGBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(-c2ncccn2)cc1Br 587938854 DSYVVTIZDFBPFJ-LLVKDONJSA-N 451.281 3.351 5 1 JGBF COc1c(O)ccc2c1O[C@@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1OC 13461126 XRLQCBJHPDWSIJ-AZUAARDMSA-N 452.415 3.248 5 1 JGBF biogenic CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081597 TVRZHCMDXOWCPA-INIZCTEOSA-N 460.556 3.456 5 1 JGBF CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 102036515 BANSTYDAZSQOBZ-KEXUJGGDSA-N 455.442 3.054 5 1 JGBF CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C 169689682 JYZLPVPMDCADRR-HZPDHXFCSA-N 483.458 3.286 5 1 JGBF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055381 NRERDWQTPHULIS-UYAOXDASSA-N 461.858 3.221 5 1 JGBF O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@](=O)c2ncc(Br)cn2)cc1 34663093 FSOVGMVKHKNVAZ-SSEXGKCCSA-N 490.295 3.276 5 1 JGBF COc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956425 ADQNOJNDZKJMPR-UHFFFAOYSA-N 489.557 3.280 5 1 JGBF C=Cc1c(C)n([C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2OC)c2c1c1c(c3c4ccccc4[nH]c32)CNC1=O 2356804203 XSHFTELAEMNXHQ-DFKHOKPESA-N 461.518 3.125 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150287 GSZXFPNEUYYXLR-HXUWFJFHSA-N 488.548 3.416 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc([N+](=O)[O-])n3)c2c1 587620448 CAISDHKOGNVUCB-UHFFFAOYSA-N 472.439 3.288 5 1 JGBF CCOc1ccc(-c2nn(C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668628 DRSFJSJAYRPOKY-UHFFFAOYSA-N 463.450 3.191 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4036815 DLUBKKVMSHVWRR-FYYLOGMGSA-N 460.446 3.314 5 1 JGBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82214770 ZVHWRVHEKMGDRH-RIFZZMRRSA-N 466.542 3.062 5 1 JGBF CC[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 587185864 YCSUFGUBZAZFBD-LLVKDONJSA-N 456.200 3.488 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](OC(=O)[C@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 254093837 SPSDRMFMSHXJGD-BHBAPUPVSA-N 495.572 3.064 5 1 JGBF CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](OC(=O)[C@@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 29322707 SPSDRMFMSHXJGD-PDVSBPTASA-N 495.572 3.064 5 1 JGBF CCNc1nc(N2CC[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12 82119237 KZKPYYACIRCFKU-OAHLLOKOSA-N 480.525 3.304 5 1 JGBF CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82214850 RCDCKXSLWBSWCE-QGZVFWFLSA-N 466.542 3.158 5 1 JGBF Cc1c(N2C(=O)C(Cl)=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(=O)n(-c2ccccc2)n1C 102251154 ZISWQKCELVOFBN-UHFFFAOYSA-N 488.287 3.482 5 1 JGBF CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1 26718741 UNBXKYWIOPBMGI-QHAWAJNXSA-N 458.467 3.235 5 1 JGBF Cn1c2cc(N3CCN(c4nc5ccccc5o4)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 40952054 BWYBFUAIMROJFW-UHFFFAOYSA-N 457.490 3.153 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)cc1 587268542 CTLUMPDQHWLNNL-UHFFFAOYSA-N 454.468 3.288 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578713 XAZWEIKHGJABFY-RDPSFJRHSA-N 463.398 3.290 5 1 JGBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 82135425 DXMXLHMIRGDPHF-RDJZCZTQSA-N 454.531 3.251 5 1 JGBF Cc1cc(OCCN2CCOCC2)c2cc3c(OCCN4CCOCC4)cc(C)nc3c(C)c2n1 27324493 CSADSWLGQSQKFS-UHFFFAOYSA-N 480.609 3.130 5 1 JGBF CNC(=N)SCCCn1c(=O)c2n3ccc4cccc(c43)c3cc4ccccc4n3c=2c1=O 45496699 MTYBEFAXRMHIIW-UHFFFAOYSA-N 455.543 3.460 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c21 83921839 MSXWAMODDZJPTG-VYWDFFCBSA-N 494.496 3.008 5 1 JGBF in-vitro O=C(NC(=S)Nc1cccc(O)c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103286552 MGVZMFFCADFRJV-UHFFFAOYSA-N 468.922 3.028 5 1 JGBF CC[C@@](O)(C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccccc3)[C@H]12)c1ccccc1 29322724 SPSDRMFMSHXJGD-YGWUYUPESA-N 495.572 3.064 5 1 JGBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148814 IHAOTSQJEJRSIF-LNLFQRSKSA-N 480.569 3.404 5 1 JGBF CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC(=O)NCCCN(C)C)cc12 1772626237 SQSPGTAJEWFGEJ-UHFFFAOYSA-N 491.636 3.377 5 1 JGBF NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCc2ccccc2)CCc2ccccc2)c([N+](=O)[O-])c1 58591272 WZWMXUWFIWLHOS-UHFFFAOYSA-N 470.507 3.442 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149705 RETZVUDDJNYARU-UHFFFAOYSA-N 492.511 3.150 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-] 169726934 XSINBHDVQQKQFI-PMACEKPBSA-N 454.483 3.436 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3c(C)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] 586940715 DDMNKDVUDLHGKD-UHFFFAOYSA-N 472.346 3.137 5 1 JGBF CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 29038723 JYURLFGIJFZTQW-IHLLOCCUSA-N 459.550 3.385 5 1 JGBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135301 YCOPJDPPRSMFHZ-PKOBYXMFSA-N 480.569 3.371 5 1 JGBF Cc1ccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)O)c(O)nc4cc3[N+](=O)[O-])cn2)cc1 13553647 CSELDXMRSCCNMT-UHFFFAOYSA-N 464.394 3.185 5 1 JGBF CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081595 JGBLLVAVOGSYQY-HNNXBMFYSA-N 460.556 3.454 5 1 JGBF CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081596 TVRZHCMDXOWCPA-MRXNPFEDSA-N 460.556 3.456 5 1 JGBF CN(C)CCNC(=O)c1ccc(NCc2ccccc2)c2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12 1772590651 QVQYEYMXOZIOHW-UHFFFAOYSA-N 459.506 3.493 5 1 JGBF O=c1cc(CSc2nccc(O)n2)c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2o1 1911582408 GNMOKQXAFWMANL-UHFFFAOYSA-N 487.471 3.257 5 1 JGBF O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82081770 NLYRLGARWOYBJI-UHFFFAOYSA-N 465.535 3.084 5 1 JGBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCOCCO)cc1 2481012 PTDUDRRZLGKZKF-UHFFFAOYSA-N 461.858 3.318 5 1 JGBF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4044512 QLESPUKGSJRUHT-FKYUBKPCSA-N 498.536 3.005 5 1 JGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(Cn2ccnc2)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 27728331 HJBQCZLOGQJAIU-YVURAWIMSA-N 492.492 3.160 5 1 JGBF CCCCC/C=C/[C@H](O)[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC 29466787 XVUOEYGVFVFEDQ-JAPHFTBRSA-O 451.565 3.389 5 1 JGBF COc1c(O)ccc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 963153513 WCMFFICQJUAFRQ-SMDDNHRTSA-N 451.457 3.101 5 1 JGBF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774083 QOIMQNLRWGBDMB-CYBMUJFWSA-N 455.423 3.155 5 1 JGBF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4045470 USJWWWWNLWJGCP-FHZYATBESA-N 499.955 3.143 5 1 JGBF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4205421 IEVDZZURPQDIBJ-RFVSGWPVSA-N 477.901 3.244 5 1 JGBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](OCC(F)(F)F)c2cc3c([N+](=O)[O-])cccc3nc2-1 27198904 DSXRMFXNSZFLIS-FPOVZHCZSA-N 491.378 3.065 5 1 JGBF CCN(CC)CCNC(=O)c1cccc2c(=O)c3cc(I)ccc3[nH]c12 40847158 RSCQHAOKJMWYEL-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 169720547 BBRWTARMBTVUHZ-DYXWJJEUSA-N 450.520 3.364 5 1 JGBF COC1(c2cc(F)cc(OCC[S@]3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)c2)CCOCC1 73196113 NMEFTPNOZYQBMV-HKBQPEDESA-N 484.527 3.328 5 1 JGBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H](C)O)cc1 586935605 LZVZGKWHFAJOGG-DMZKTXOQSA-N 463.519 3.068 5 1 JGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587271756 GTKPYPRNHDQRGE-KBPBESRZSA-N 489.204 3.285 5 1 JGBF COC(=O)[C@@H](N=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587620827 GYMYHHLNVMAXKX-SFHVURJKSA-N 462.440 3.174 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC 4048941 OJDLLYSQCVKKTA-UPVQGACJSA-N 482.537 3.306 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])c(C)nn3C)c(=O)c3ccccc23)c(O)c1 587667686 QAVDRXAOXQQIAR-UHFFFAOYSA-N 476.493 3.254 5 1 JGBF COc1cc2c(cc1OC)CN(CCCn1cnc3cc(Cl)c([N+](=O)[O-])cc3c1=O)CC2 1857749017 ODCFZGVNKYQFEL-UHFFFAOYSA-N 458.902 3.424 5 1 JGBF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081603 DNQRKOCKNYEXKP-HZPDHXFCSA-N 458.540 3.208 5 1 JGBF Cc1ccc([C@@H](OC[C@@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 13098041 DJKJEDRVBXWITK-CQJMVLFOSA-N 466.534 3.054 5 1 JGBF CCN(CC)CCNC(=O)c1c(I)ccc2c(=O)c3ccccc3[nH]c12 40860073 LTUWIQQMEODLIM-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1coc(-c2ccc(Cl)s2)n1 82874039 JCNHSXPHCSYYCR-QZHFEQFPSA-N 464.011 3.273 5 1 JGBF in-vitro O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1OCCN1CCOCC1 58541014 WBAOINUKUFHILG-UHFFFAOYSA-N 464.316 3.250 5 1 JGBF C/C(=C\c1ncc(-c2csc([N+](=O)[O-])c2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 27190888 MWTCQTAXEMIKDN-YZSYQXPTSA-N 494.566 3.016 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149871 QRQKSIPEXGLAKL-UHFFFAOYSA-N 488.548 3.319 5 1 JGBF O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 101521135 HNKPRGDXLNUTBD-HKBOAZHASA-N 459.414 3.344 5 1 JGBF CCOC(=O)C1=C(COc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726951 PHDNGUALJBDIBP-WOJBJXKFSA-N 453.451 3.233 5 1 JGBF O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1[N+](=O)[O-] 587187105 BZPPWYDYKPULPG-UHFFFAOYSA-N 450.152 3.299 5 1 JGBF COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC2CCC(NC=O)CC2)cc1OC 3819446 MRIQTVUMKSJNAT-UHFFFAOYSA-N 456.499 3.011 5 1 JGBF investigational O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 13443347 OCJWJVGLCJGMQU-FQEVSTJZSA-N 459.568 3.355 5 1 JGBF O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 587552660 BQPFRSAYMSCVQR-IEBWSBKVSA-N 472.413 3.089 5 1 JGBF N=C(N)c1ccc2[nH]c(-c3cc(CC(C(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)nc2c1 34804667 VFFCJVABPWUSHD-UHFFFAOYSA-N 489.444 3.123 5 1 JGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587265550 WBCDXNVEDRUOLJ-SSDLBLMSSA-N 461.744 3.327 5 1 JGBF O=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NCc1ccc([N+](=O)[O-])cc1 653840642 WBFYXXSCLCUBIH-QFIPXVFZSA-N 497.529 3.090 5 1 JGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 4077731 YVWHKCBSMJDPOZ-PZJWPPBQSA-N 491.928 3.492 5 1 JGBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)[C@H](O)C[N+](=O)[O-] 82061090 JRTYGXLOVJBTMO-XPWALMASSA-N 471.554 3.083 5 1 JGBF COCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82134555 DTXIQVYORDWVBM-UHFFFAOYSA-N 481.509 3.447 5 1 JGBF CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 26647312 XEFCJKQFTQLWHX-MRXNPFEDSA-N 460.295 3.407 5 1 JGBF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 101036462 YSVGTCNLBJNOHK-UHFFFAOYSA-N 476.470 3.225 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587747595 OUOPYCBHGXVQLM-GIPWTMENSA-N 465.275 3.406 5 1 JGBF Nc1nc(SCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc(N)c1Cc1ccccc1 3827370 UUHNNKPDCBKMAR-UHFFFAOYSA-N 479.610 3.050 5 1 JGBF CCN(CC)CCNC(=O)c1cccc2c(=O)c3ccc(I)cc3[nH]c12 40380110 RLQBLKRFULMIBR-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCN3CCCC3)[nH]c3ccc([N+](=O)[O-])cc23)c1 71329844 PRXSJOIEHROIED-UHFFFAOYSA-N 456.524 3.309 5 1 JGBF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4041572 WPHVSNGLFUKSIZ-RBBKRZOGSA-N 454.483 3.398 5 1 JGBF COc1c(O)ccc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 963153509 WCMFFICQJUAFRQ-FZMZJTMJSA-N 451.457 3.101 5 1 JGBF O=C(O)c1cc2c(c3nc4cccc(O)c4nc13)[C@@H]1Cc3nc4cccc(O)c4nc3[C@@](O)(C1)O2 1857552688 IKZAYRLYTAVSAG-REFGNXHDSA-N 468.425 3.103 5 1 JGBF O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@@](=O)c2ncc(Br)cn2)cc1 34663092 FSOVGMVKHKNVAZ-PMERELPUSA-N 490.295 3.276 5 1 JGBF COc1c(O)ccc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 963153491 WCMFFICQJUAFRQ-BXUZGUMPSA-N 451.457 3.101 5 1 JGBF O=C(NS(=O)(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1857650169 ABKPJJNCMNNCMN-MOPGFXCFSA-N 457.489 3.260 5 1 JGBF O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 28347504 DRPLNMFPBUMNGK-GMAHTHKFSA-N 480.521 3.172 5 1 JGBF O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Cl 586941993 GMGQXCWFHUDNCP-UHFFFAOYSA-N 451.711 3.427 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](NC=O)[C@@H]1O 2356796693 NLFKVOZMPKQXBD-IZNDQDKPSA-N 482.496 3.096 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205284 DBZKJMZJYFFOIO-RHZWSATBSA-N 474.901 3.135 5 1 JGBF C[C@@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)O 40391412 YFQBWPXFSRKMBO-GFCCVEGCSA-N 468.469 3.244 5 1 JGBF CCNc1nc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12 82118409 WQUIYALVORHUJV-UHFFFAOYSA-N 480.525 3.258 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135318 YDRPNCSCYLWBEL-LMMKCTJWSA-N 480.569 3.404 5 1 JGBF COC(=O)[C@H](N=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587620825 GYMYHHLNVMAXKX-GOSISDBHSA-N 462.440 3.174 5 1 JGBF CCOC(=O)C1=C(C)NC(=S)N(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 26578185 YKNGHCPXBSRJAV-SFHVURJKSA-N 461.521 3.052 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82148391 FXNAEKTXARBNJD-UHFFFAOYSA-N 457.531 3.389 5 1 JGBF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4205424 IEVDZZURPQDIBJ-ZKYUUJBMSA-N 477.901 3.244 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H](C)[C@@H](O)[C@@](C)(O)[C@@H]3O)ccc(O)c12 11592981 BJPYMDSMDBCKEP-VTGNNDLQSA-N 496.512 3.063 5 1 JGBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135317 YDRPNCSCYLWBEL-LNLFQRSKSA-N 480.569 3.404 5 1 JGBF CC(C)Oc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587271854 IKOULBQQOLCDFB-IRXDYDNUSA-N 479.287 3.054 5 1 JGBF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4053525 RVTISJGJXPSZEC-BPUDTRNYSA-N 475.457 3.265 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@@H](N(C)c4ccc([N+](=O)[O-])o4)[C@H](C)C3)c(F)c2)C(=O)O1 299812248 KURFHWFPYZJMNJ-DKSSEZFCSA-N 489.504 3.139 5 1 JGBF CCOC(=O)CN1CC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)C1 1772583880 QSSNXCMGPWKBOP-UHFFFAOYSA-N 486.472 3.049 5 1 JGBF O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857643156 YPJBTZIMSODGOV-MWOWJKGTSA-N 468.413 3.459 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC 4152071 ZEIWEIQTADKPQR-ISKFKSNPSA-N 498.536 3.272 5 1 JGBF Cc1ccc(S(=O)(=O)Cc2nc3ccc(I)cn3c2[N+](=O)[O-])cc1 96937945 BJHCINRPDBHAHR-UHFFFAOYSA-N 457.249 3.129 5 1 JGBF O=C1C[C@H](c2c(O)cc(C(=O)O)c3nc4cccc(O)c4nc23)Cc2nc3cccc(O)c3nc21 66099468 UOIYCAXBKQXVOD-SNVBAGLBSA-N 468.425 3.454 5 1 JGBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)[C@H](O)C[N+](=O)[O-] 82061087 JRTYGXLOVJBTMO-RJGXRXQPSA-N 471.554 3.083 5 1 JGBF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134740 OUAVEINAAYRDTC-UHFFFAOYSA-N 479.493 3.154 5 1 JGBF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621186 RLFSJBAGPWRLJS-UHFFFAOYSA-N 499.505 3.463 5 1 JGBF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148008 LXRIEZPBPWDRCR-UHFFFAOYSA-N 479.493 3.154 5 1 JGBF Cc1c(O)ccc2c1[C@@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1[N+](=O)[O-])N[C@H](C(=O)O)C2 963505511 BMPSBZCYHCHSDP-BCWWEUGJSA-N 454.479 3.342 5 1 JGBF Cc1cc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2cc1[N+](=O)[O-] 586943645 CAJKIIMAIOYLIW-UHFFFAOYSA-N 491.957 3.391 5 1 JGBF COc1cc([C@H]2Oc3c(O)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc(OC)c1O 14718236 UCBWYFQQXLZEPP-WIYYLYMNSA-N 452.415 3.248 5 1 JGBF biogenic CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 82193521 ABIBSEDGPKSCOW-IBGZPJMESA-N 473.555 3.424 5 1 JGBF CC1=C(c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)NNC(=O)C1 587270993 VPNONSIGLCFMQN-UHFFFAOYSA-N 460.494 3.246 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434172 RUEZPFLSJGVCJG-ZAHDESAZSA-N 485.489 3.068 5 1 JGBF COc1cc(O)c2c(=O)c3ccc4c(c3oc2c1)O[C@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O4 2356486311 NGLVDMIISAUIAQ-XXBNENTESA-N 482.441 3.257 5 1 JGBF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 101077649 IPMMYQNHLBNIDN-UHFFFAOYSA-N 476.470 3.225 5 1 JGBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586945858 MMZRPWGBLLYTCR-GFCCVEGCSA-N 481.328 3.358 5 1 JGBF COCCNC(=O)c1cc(-c2ccccc2C)n(C[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 61959405 SRVYEVWFLDMFMA-LJQANCHMSA-N 463.494 3.336 5 3 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cnc4ncnc(Cl)c43)OCc3ccccc32)cc1 29128209 NRCYQDNCRLHPGJ-KRWDZBQOSA-N 486.897 3.312 5 1 JGBF CCOC(=O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C(=O)OCC)CC2)CC1 72107840 NZNBCTSOXHZJFT-UHFFFAOYSA-N 485.541 3.097 5 1 JGBF CS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926468 PUDWOILWLIXLGK-UHFFFAOYSA-N 483.833 3.489 5 1 JGBF O=[N+]([O-])c1cncc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586950066 OEWDOCMNVYOBAN-UHFFFAOYSA-N 453.436 3.105 5 1 JGBF Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1N 13646494 VIAXTYRQASMVQR-FQEVSTJZSA-N 453.886 3.392 5 1 JGBF O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 27859692 HJSOECIXKGLCGH-UHFFFAOYSA-N 465.443 3.432 5 1 JGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 587266739 NXRMHAADVVETMC-KGFZYKRKSA-N 455.200 3.210 5 1 JGBF COC(=O)c1c(-c2cnccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620759 GNPHGTZZNNOCEY-UHFFFAOYSA-N 483.462 3.129 5 1 JGBF CC(=O)N[C@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccc(O)cc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356798304 PCZMADWTNISXIC-LCWSOADTSA-N 496.523 3.322 5 1 JGBF O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 206855954 AHAGOJJGAFLIAO-KMKOMSMNSA-N 494.367 3.340 5 1 JGBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586946847 QQULVICFZSWTGK-CYBMUJFWSA-N 481.328 3.358 5 1 JGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264004 IVTLJSJUBHCPQL-NXSYQRQQSA-N 480.231 3.374 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-n3cncn3)c2c1 587621014 NIQCLZDOTCALND-UHFFFAOYSA-N 454.468 3.344 5 1 JGBF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 586943634 BIVFKYVMEPANOI-UHFFFAOYSA-N 477.930 3.082 5 1 JGBF O=[N+]([O-])c1ccc(N=c2cc[nH]c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)cn1 1772608175 RDGFOZGYJRXYGE-UHFFFAOYSA-N 491.529 3.391 5 1 JGBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2c(N(C)C)cccc12 26382667 PZWNLWJZVFBFLW-OAHLLOKOSA-N 457.508 3.478 5 1 JGBF CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NCCN(C)C)C(C)(C)O2 96902228 NWTNGDYEZJWEQO-QFIPXVFZSA-N 452.599 3.153 5 1 JGBF C[C@@H](c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275317 BVIIPZNNAJPWTD-KRWDZBQOSA-N 488.552 3.277 5 1 JGBF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 962632524 LHYIVNIPRSCYKH-RBUKOAKNSA-N 478.383 3.415 5 1 JGBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C=C(C)OC(=O)/C1=C\NNc1cccc([N+](=O)[O-])c1 963614144 WGFVFFPPEZKHSV-LRPYDEJKSA-N 466.494 3.303 5 1 JGBF COc1ncc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C5CCOCC5)C4)c3c2)cc1[N+](=O)[O-] 1857757393 YSHINJOWYCKPPB-SFHVURJKSA-N 478.509 3.048 5 1 JGBF Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587552647 BFBSKHKNDWISEC-MOPGFXCFSA-N 472.413 3.203 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc12 73223957 PBTRUGBNLCJYMR-QFIPXVFZSA-N 477.477 3.493 5 1 JGBF COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc2nc3ccccc3nc12 103284114 UKVRFMBCYKXSLY-MFEWFWNNSA-N 456.454 3.488 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)ccc1[N+](=O)[O-] 587263401 SZDAYAYAHAJHHT-UHFFFAOYSA-N 469.811 3.368 5 1 JGBF CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081598 UGXPRMICVIJHDN-OAHLLOKOSA-N 475.523 3.457 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152980 PJBIFAIKHAMEKV-CXJARPSQSA-N 497.504 3.234 5 1 JGBF Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 13747187 XRSGABXRLAWEDU-UHFFFAOYSA-N 454.556 3.119 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-] 169726935 XSINBHDVQQKQFI-WOJBJXKFSA-N 454.483 3.436 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 587388368 AAROYFLHARNOIS-QHCPKHFHSA-N 477.385 3.258 5 1 JGBF C[C@@H]1O[C@H]2C[C@@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 2356703635 NEPZGORZKOUWMU-KELKAIQPSA-N 455.470 3.178 5 1 JGBF O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccc([N+](=O)[O-])cc1 103211082 RQMODFHITDQZLK-UHFFFAOYSA-N 483.072 3.288 5 1 JGBF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774091 PJBLOAYUBZPTJG-AWEZNQCLSA-N 471.466 3.443 5 1 JGBF CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 40876036 DHLDJNLQHZPGSZ-HNNXBMFYSA-N 472.542 3.448 5 1 JGBF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82195372 PAFKBPLMRNWJAP-AWEZNQCLSA-N 454.574 3.413 5 1 JGBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148811 IHAOTSQJEJRSIF-SCTDSRPQSA-N 480.569 3.404 5 1 JGBF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F 586951668 UCICGHGKARERQN-UHFFFAOYSA-N 455.265 3.480 5 1 JGBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)o1 587265589 QTSDGOXILYWERX-UHFFFAOYSA-N 454.464 3.419 5 1 JGBF CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 102036518 BANSTYDAZSQOBZ-KGYLXKDPSA-N 455.442 3.054 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@@H](C)c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 28861894 YULYRDMQEMPRSX-YOEHRIQHSA-N 491.545 3.140 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1 82150173 JZSNWPDYOFAFJA-UHFFFAOYSA-N 488.548 3.383 5 1 JGBF CC(=O)OC/C(=C(\C(=O)OCC[N+](C)(C)C)c1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 28473921 IAFUSHTWDLSUIF-BSYVCWPDSA-N 496.552 3.092 5 1 JGBF O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1[N+](=O)[O-] 586950644 INYQXWHOFUXHPH-UHFFFAOYSA-N 460.472 3.312 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c21 42879101 MSXWAMODDZJPTG-QGZLGSDISA-N 494.496 3.008 5 1 JGBF in-vitro CCOc1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])cnn3C)c(=O)c3ccccc23)cc1OCC 587668851 GYHAUMKDTHOTBI-UHFFFAOYSA-N 463.450 3.191 5 1 JGBF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccc(Br)cc12 473149779 KLUFOHBRFJHAJH-QINHECLXSA-N 459.252 3.239 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] 586940843 HTLVOSLRVATAHZ-UHFFFAOYSA-N 457.331 3.434 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@H](NC=O)[C@H]1O 2356800240 PWDMDSRARYDKBY-KXQDOIGASA-N 468.513 3.455 5 1 JGBF C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 13492787 PGKSTNVRTSJCJO-HFZDXXHNSA-N 497.615 3.159 5 1 JGBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2c(N(C)C)cccc12 13840051 AQONBFMXHUIOEN-HNNXBMFYSA-N 457.508 3.478 5 1 JGBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c([N+](=O)[O-])c2)CC1 13470547 UAGAHTYBWKROHT-XVNBXDOJSA-N 469.519 3.221 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081145 ONNQMEDRBJOWGF-QGZVFWFLSA-N 465.535 3.469 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1=O 4214339 ZDYQSTOGJJYCQS-PKTZIBPZSA-N 488.541 3.466 5 1 JGBF O=C(O)C(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 13797823 ZKKQCCSHBYRQHR-OAQYLSRUSA-N 484.461 3.170 5 1 JGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587272524 NVNUSCWHAOXJQZ-KBPBESRZSA-N 489.204 3.285 5 1 JGBF COCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82159930 BSTBXGYCQIDCKL-UHFFFAOYSA-N 451.483 3.091 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC 4152915 XJNKDVVZNDOOLN-GMAHTHKFSA-N 487.509 3.255 5 1 JGBF N=C(NC[C@@H]1CCCO1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71294665 JTTQDBMWAHQDGB-KRWDZBQOSA-N 483.554 3.127 5 1 JGBF COC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587263883 HKOHFPFLGYRDJF-ANRSDYALSA-N 494.258 3.462 5 1 JGBF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cc(C(=O)O)c(N)c41)[C@@H](C2)C3=O 587431526 GCJTWVPXYRGCEZ-MQNRADLISA-N 472.409 3.119 5 1 JGBF CCN(CC)CCNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 43120014 IFMWKPXGLNKXBK-UHFFFAOYSA-N 492.576 3.380 5 1 JGBF O=C(O)C[C@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586888033 HDHXDQMJEAOAOY-CYBMUJFWSA-N 474.425 3.223 5 1 JGBF C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C[N+](=O)[O-])CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C[C@@H](O)[C@@H]1O 36107876 XDRNASYUVVKVMX-DLVDBOQHSA-N 481.630 3.279 5 1 JGBF CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608672 RSHULIUUCZAYAX-KNQAVFIVSA-N 455.444 3.202 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 587668106 ZWOFQUFKXLHNPP-UHFFFAOYSA-N 492.492 3.069 5 1 JGBF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C(C)C)cc1 586938313 QDTLJPBGVNGTNJ-FQEVSTJZSA-N 459.528 3.091 5 1 JGBF COc1c(OCCCCN2CCN(C)CC2)cc(O)c2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 1857763124 RKMYWYJESKMDTI-UHFFFAOYSA-N 483.521 3.489 5 1 JGBF C[C@@H]1O[C@@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O 1857772896 AARICDGIAQPTML-RBFJYNKASA-N 456.502 3.374 5 1 JGBF O=C(O[C@@H]1[C@H](O)[C@H](Oc2ccccc2[N+](=O)[O-])O[C@@H]2COC3(CCCCC3)O[C@@H]21)c1ccccc1 95921651 FBTHPLRUKCZCKM-KQWJERSKSA-N 485.489 3.361 5 1 JGBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](C)O)cc1 586936147 NUJMZPHKCLGQBT-FZKQIMNGSA-N 463.519 3.068 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 587666519 CGEUVMZVCJFCSM-UHFFFAOYSA-N 476.493 3.369 5 1 JGBF C[N+]1(C2CCN(C(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)CC2)CCCC1 96284364 KORFLEZCHHHWRG-UHFFFAOYSA-N 453.651 3.232 5 1 JGBF O=Cc1cc([N+](=O)[O-])ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 1857585631 QXRNLSLFSCOKHJ-UHFFFAOYSA-N 450.407 3.153 5 1 JGBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2cccc([N+](=O)[O-])c2)C1 1866523 ORAYFHLNUXYVFL-CALCHBBNSA-N 468.447 3.091 5 1 JGBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054569 ZJWDBHSROYPIDG-DRAMBROLSA-N 474.901 3.135 5 1 JGBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82119606 KRPQSNLOUYQNOS-IBGZPJMESA-N 494.552 3.473 5 1 JGBF NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(C(=S)NCc1ccccc1)C2 103257776 LQQGGNNHBCHRSV-UHFFFAOYSA-N 485.547 3.033 5 1 JGBF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 963508619 KQSHWHUDMBYFAS-FXAWDEMLSA-N 472.885 3.204 5 1 JGBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@@H](O)CN3CCC(N4CCCCC4)CC3)c12 42967290 YFDHDKZCIFTZOV-FQEVSTJZSA-N 463.578 3.164 5 1 JGBF Cn1c2ccccc2c(=NCCN2CCOCC2)c2oc3ccc(OCC[N+](C)(C)C)cc3c21 1772613610 OITHLPIMWIZFJD-UHFFFAOYSA-N 463.602 3.396 5 1 JGBF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 103210201 LZETYOAUCIGYJC-UHFFFAOYSA-N 485.544 3.212 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 169309694 SFZRNRXGNUGHOY-FQEVSTJZSA-N 452.467 3.181 5 1 JGBF Cn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O 205648723 MTOZTLWHHAIRTM-UHFFFAOYSA-N 464.407 3.296 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 4077728 YVWHKCBSMJDPOZ-FPOVZHCZSA-N 491.928 3.492 5 1 JGBF CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 473159862 XXXDTJIQSOTZCA-WOCWXWTJSA-N 461.268 3.090 5 1 JGBF O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081669 KZFMUSXQEBXUBN-IBGZPJMESA-N 493.545 3.047 5 1 JGBF CN(C)CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086094 HRBBZHSAKNVBDV-HXUWFJFHSA-N 498.561 3.138 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN3CCOCC3)c2c1 587620826 HQVOEYCWPBURPP-UHFFFAOYSA-N 460.512 3.026 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 772377 DFSGNAOBYLYIPC-CTNGQTDRSA-N 491.928 3.492 5 1 JGBF O=C1CN(c2ccccc2)C(=O)[C@@H](Cc2c([C@@H](O)c3ccccc3[N+](=O)[O-])[nH]c3ccccc23)N1 1857562065 CYKJCGHKSZONPS-BWKNWUBXSA-N 470.485 3.232 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@](C)(O)[C@@H](O)[C@H]3O)ccc(O)c12 2356455382 QURCHVLXAUSXGW-ISODAEEYSA-N 496.512 3.063 5 1 JGBF CC(C)(C)OC(=O)COc1cccc2c1n(O)c1cccc(OCC(=O)OC(C)(C)C)c1[n+]2=O 1857642157 UHVDSIYFQWLXKN-UHFFFAOYSA-N 473.502 3.387 5 1 JGBF CC(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(C)(=O)=O)cc4)c3[N+](=O)[O-])CC2)n1 40873673 GWURHCBAFSQBSE-UHFFFAOYSA-N 487.542 3.422 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@@H]2C=CC=C[C@@H]12 195488617 ZPJRZGXHUHSGBE-GDVTWYKTSA-N 464.405 3.024 5 1 JGBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](C)O)cc1 586936149 NUJMZPHKCLGQBT-SCLBCKFNSA-N 463.519 3.068 5 1 JGBF N[C@@H](CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271082 ZUWSKPKSROXYIT-LBPRGKRZSA-N 463.248 3.040 5 1 JGBF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 82148047 IMNJAWPCLFXOLP-UHFFFAOYSA-N 451.458 3.318 5 1 JGBF CN[C@H]1C[C@@H]2O[C@](C)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 138380991 UPPUMEGQYZFQMH-ZHRWAWIBSA-N 468.513 3.406 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 772196 HVTHZEFDTOPYIM-FPOVZHCZSA-N 475.885 3.216 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@H](C)[C@](C)(O)[C@H](O)[C@@H]3O)ccc(O)c12 238758183 QURCHVLXAUSXGW-GNQZKVTMSA-N 496.512 3.063 5 1 JGBF N=c1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1857645524 QKFNEJCYJZIZQW-UHFFFAOYSA-N 490.567 3.139 5 1 JGBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587053349 CYGHVULEAYCNGK-INIZCTEOSA-N 452.876 3.498 5 1 JGBF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207089 KGTVAEYIZRTZME-AZUAARDMSA-N 461.858 3.221 5 1 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4274907 XODADJJVJAXHID-TYCQWZJGSA-N 474.514 3.122 5 1 JGBF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586932479 FYXFIEVAPDYWNT-UHFFFAOYSA-N 479.474 3.215 5 1 JGBF O=C(OCc1ccc([N+](=O)[O-])cc1)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 621478299 NGISQNBDJRXUBU-GOSISDBHSA-N 475.429 3.249 5 1 JGBF O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2nc(Cl)ncc2Br)CC1 1772620904 HFDZNLJXCHTHEK-UHFFFAOYSA-N 461.103 3.417 5 1 JGBF O=C1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)CCN1CC1CCCCC1 1857593121 VILLAHMIFDXBNA-UHFFFAOYSA-N 454.405 3.344 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055420 MBYFBGGUZXXNGT-ITKSXJDCSA-N 487.896 3.488 5 1 JGBF O=C(N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)O)OCc1ccccc1 587203493 QWIKYXKZUXFWBY-CYBMUJFWSA-N 463.244 3.156 5 1 JGBF COCCNC(=O)c1cc(-c2ccccc2C)n(C[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1 61959402 SRVYEVWFLDMFMA-IBGZPJMESA-N 463.494 3.336 5 3 JGBF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055380 NRERDWQTPHULIS-AZUAARDMSA-N 461.858 3.221 5 1 JGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587265548 WBCDXNVEDRUOLJ-CDUCUWFYSA-N 461.744 3.327 5 1 JGBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850429 PZFSCKLGFWMLMW-VOJFVSQTSA-N 457.321 3.319 5 1 JGBF O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772073 PKSAWTLJPMAQSY-PZJWPPBQSA-N 493.347 3.442 5 1 JGBF CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 1911577586 ZCPKMPIKUSDXEJ-UHFFFAOYSA-N 462.510 3.449 5 1 JGBF O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCN(Cc2ccccc2)CC1 82084841 XVLMFWOWMXKSTD-UHFFFAOYSA-N 479.562 3.229 5 1 JGBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148237 FPPJZCQSFMWWDB-RIFZZMRRSA-N 466.542 3.062 5 1 JGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 82082250 RQLKZEWTMVVFTE-IBGZPJMESA-N 459.572 3.075 5 1 JGBF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586952938 ODRAUEJKCRJUIX-SFHVURJKSA-N 475.527 3.324 5 1 JGBF COCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134824 KWVJGWYUCZIJGI-UHFFFAOYSA-N 465.510 3.481 5 1 JGBF O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103288274 RKQWUJDBDZXNRH-UHFFFAOYSA-N 497.920 3.230 5 1 JGBF COc1cccc2c(O)c3c(NCCc4ccncc4)ccc(C(=O)NCCN(C)C)c3nc12 299862443 JQPLLUHJSLUCGC-UHFFFAOYSA-N 459.550 3.443 5 1 JGBF Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 653791420 WOSIQLGOCWDDDN-UHFFFAOYSA-N 494.464 3.434 5 1 JGBF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4053530 RVTISJGJXPSZEC-APTRMMRNSA-N 475.457 3.265 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215467 WXHYJWMCTPUXEU-GMWOSMDTSA-N 490.557 3.363 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2cccc([N+](=O)[O-])c2)c2ccccc12 73220120 DIAONZMXMWWESB-QFIPXVFZSA-N 477.477 3.493 5 1 JGBF C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc([N+](=O)[O-])cc4)nc3n2)C[C@@H](C)O1 139527173 SHDLLCDKRPCTFH-YESZJQIVSA-N 464.526 3.439 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-] 586940786 GAHRGQFNKDZOCY-UHFFFAOYSA-N 472.346 3.137 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149219 XACUDUMDNGZGEZ-NVXWUHKLSA-N 454.531 3.251 5 1 JGBF CCOC(=O)C1=C(COc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726949 PHDNGUALJBDIBP-UXHICEINSA-N 453.451 3.233 5 1 JGBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 587605357 CFEUYNKSULENSK-OAQYLSRUSA-N 496.497 3.486 5 1 JGBF O=C1C(=Cc2ccc([N+](=O)[O-])s2)C(=O)N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 39146180 QSANGRVHLCEDMZ-UHFFFAOYSA-N 483.527 3.356 5 1 JGBF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4050941 MMTYACMODRMLNU-MQVPCNEGSA-N 489.484 3.135 5 1 JGBF O=C(NS(=O)(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1857650171 ABKPJJNCMNNCMN-RBUKOAKNSA-N 457.489 3.260 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 587390000 OVAIMGJPDNIFIJ-UHFFFAOYSA-N 477.385 3.258 5 1 JGBF O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662099 XQZDDHAIGZUENB-UHFFFAOYSA-N 470.420 3.439 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152976 PJBIFAIKHAMEKV-KLYAEHFASA-N 497.504 3.234 5 1 JGBF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206647 RGYSOSIOZUFSRT-IEBWSBKVSA-N 468.293 3.119 5 1 JGBF COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc(OC)c1O 13381005 FWFYBSKGLJPMRL-GCJKJVERSA-N 482.441 3.257 5 1 JGBF biogenic CC1(C)CC(=O)N(CCCCN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C(=O)C1 73198119 CUWCLXPLJXJKFX-UHFFFAOYSA-N 453.543 3.220 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 82135426 DXMXLHMIRGDPHF-NVXWUHKLSA-N 454.531 3.251 5 1 JGBF Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2n1 96270826 JRBJTRVZYZBPQY-UHFFFAOYSA-N 455.569 3.043 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148792 PXUKVUXMLLYHPA-UHFFFAOYSA-N 457.531 3.167 5 1 JGBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1 587871121 APVAXYQNPARYBW-UHFFFAOYSA-N 453.434 3.200 5 1 JGBF CCOC(=O)C1=C(COc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726952 PHDNGUALJBDIBP-VQTJNVASSA-N 453.451 3.233 5 1 JGBF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3cnnn3)c(-c3ccc(Cl)cc3Cl)n2)nc1 1772636921 KUYFYYFYEUWGOU-UHFFFAOYSA-N 473.284 3.253 5 1 JGBF COc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1OC 1857540985 GWUORABDLLAJTP-OAHLLOKOSA-N 492.535 3.014 5 1 JGBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCC(N4CCCCC4)CC3)c12 42967288 YFDHDKZCIFTZOV-HXUWFJFHSA-N 463.578 3.164 5 1 JGBF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 586944225 OEYMDTCDXSWRSN-UHFFFAOYSA-N 477.930 3.082 5 1 JGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 4208557 DFSGNAOBYLYIPC-PZJWPPBQSA-N 491.928 3.492 5 1 JGBF COc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135005 DQQLSRBOELBLAT-UHFFFAOYSA-N 463.494 3.187 5 1 JGBF CC(=O)c1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84652163 GMLMNFVDNQURFT-UHFFFAOYSA-N 468.901 3.302 5 1 JGBF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 473149773 KLUFOHBRFJHAJH-JXXFODFXSA-N 459.252 3.239 5 1 JGBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82214768 ZVHWRVHEKMGDRH-OXFYSEKESA-N 466.542 3.062 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4205290 JFNREEWTBONDSB-XOJPMGEXSA-N 490.944 3.424 5 1 JGBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]1c1ncc([N+](=O)[O-])n1C 40391914 JEKIBQKQMJKGQD-QFIPXVFZSA-N 481.553 3.217 5 1 JGBF CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 103186666 YVHMQJIKIZMMJX-FVIVVMBBSA-N 480.480 3.314 5 1 JGBF COc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657326 UHZYDDKPZKWOFV-UHFFFAOYSA-N 455.377 3.186 5 1 JGBF O=C(NC(=S)Nc1ccccc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103289476 UPJUCSKAUHPRGL-UHFFFAOYSA-N 452.923 3.322 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN(CC)CC 4152067 ZEIWEIQTADKPQR-VWNXMTODSA-N 498.536 3.272 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149224 XACUDUMDNGZGEZ-WBVHZDCISA-N 454.531 3.251 5 1 JGBF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 169720549 BBRWTARMBTVUHZ-SBHAEUEKSA-N 450.520 3.364 5 1 JGBF COc1cc2c(=O)n(CCNS(=O)(=O)C3CC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857570540 JKRYQWLWRBKNAF-UHFFFAOYSA-N 496.541 3.136 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(Cl)ncnc21)C(Cl)(Cl)Cl 1857608000 VXXPWAKIMCNAHN-LBPRGKRZSA-N 498.114 3.188 5 1 JGBF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC 587944024 WOSABRXULTXMBQ-UHFFFAOYSA-N 489.250 3.115 5 1 JGBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 1866529 ZIJLUYIGIUHGDD-IAGOWNOFSA-N 468.447 3.091 5 1 JGBF COCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc([N+](=O)[O-])cc2)n1 82149987 XDQFJSMMWMHIAX-UHFFFAOYSA-N 465.510 3.481 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CC2)cc1 45370151 TYVAAESJXOVBND-UHFFFAOYSA-N 458.584 3.208 5 1 JGBF COc1ccc(NS(=O)(=O)/C=C/c2c(OC)cc(OCCCC(=O)O)cc2OC)cc1[N+](=O)[O-] 96908645 PTYIWKHYEVIYSP-CSKARUKUSA-N 496.494 3.277 5 1 JGBF CC(C)(C)OC(=O)N1[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])c2scnc2C[C@@H]1C(=O)O 963142663 KUKKTVCYVYJGRI-OCCSQVGLSA-N 450.429 3.295 5 1 JGBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963206288 ORNPAHFNCXDRST-QQMNAOGKSA-N 463.519 3.068 5 1 JGBF O=[N+]([O-])c1cccc(CSc2nc3cc(Cl)c(Cl)cc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 32138368 DWLOOMVCAGJHNX-BRSBDYLESA-N 486.333 3.155 5 1 JGBF O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 45287882 GNTODRQRXZHAJD-UHFFFAOYSA-N 490.351 3.034 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 4049700 CGYLIYUNGMNNNG-QPFPPLLLSA-N 469.494 3.124 5 1 JGBF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(C)C)cc1 586933876 ZCTAQIMLBRLYQT-IBGZPJMESA-N 479.946 3.436 5 1 JGBF COc1cccc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)c1O 2356726652 QSJCSEZWTTXFSZ-DYESRHJHSA-N 452.415 3.248 5 1 JGBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2c(N(C)C)cccc12 13863145 PZWNLWJZVFBFLW-HNNXBMFYSA-N 457.508 3.478 5 1 JGBF COc1cccc(C(=O)Nc2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](O)CC3)c1 40893155 YEWMVMCFBUTPDF-DHIUTWEWSA-N 497.529 3.182 5 1 JGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccccc1N 82082139 BMDZFMQLYQNCBN-IBGZPJMESA-N 453.524 3.371 5 1 JGBF C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](O)[C@H]1O 142533654 WVOXAIREMQIZLC-DWGRVDDFSA-N 455.470 3.342 5 1 JGBF O=C(c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 587049103 HDANDRVTYYKXIG-KXFIGUGUSA-N 455.902 3.045 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)NCCc2cc(C)c(F)cc21 962089001 FJRWCSSLBIBUPM-UWSIMGETSA-N 460.502 3.362 5 1 JGBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)cc21 28767116 OXZPPLXRBFVIGA-UHFFFAOYSA-N 454.458 3.089 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 82135208 MYLVNUNVKYYXQE-UHFFFAOYSA-N 475.546 3.015 5 1 JGBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(I)cn12 96939354 LCHBEWZNBZXMNM-UHFFFAOYSA-N 477.667 3.474 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 587388985 IMUHBLOBZPCEIC-DEOSSOPVSA-N 459.414 3.219 5 1 JGBF C=Cc1c(C)n([C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2OC)c2c1c1c(c3c4ccccc4[nH]c32)CNC1=O 2356804206 XSHFTELAEMNXHQ-VYKHCHHSSA-N 461.518 3.125 5 1 JGBF COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccccc2[N+](=O)[O-])cc1 13534857 AERQMCOEJRCRDI-HSZRJFAPSA-N 468.554 3.311 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2ccccc2[N+](=O)[O-])c2ccccc12 73223956 PBTRUGBNLCJYMR-JOCHJYFZSA-N 477.477 3.493 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434163 RUEZPFLSJGVCJG-FGGBXUGGSA-N 485.489 3.068 5 1 JGBF Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1 15936266 IMCVTKXRCHCWMY-NRFANRHFSA-N 453.543 3.066 5 3 JGBF CCN(CC)C(=O)c1cc(=O)c(C)c2oc3c(C)c(O)c(N)c(C(=O)N(CC)CC)c3nc1-2 28226678 LOQXKYAWUVNORV-UHFFFAOYSA-N 454.527 3.161 5 1 JGBF CCOc1ccc(CCNc2ncc(C(=O)NCCOC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82136131 YOSPZVBAVRRNPG-UHFFFAOYSA-N 495.536 3.490 5 1 JGBF COc1cc2c(=O)n(CCN3CCN(C)CC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857632128 RUFGEDPCMDPUKP-UHFFFAOYSA-N 475.545 3.301 5 1 JGBF O=C(NCCOCCO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482055 MGMORCZHINFSBN-UHFFFAOYSA-N 475.841 3.038 5 1 JGBF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c([N+](=O)[O-])cccc21 101037738 ICNXRKQDLGCNBR-UHFFFAOYSA-N 456.480 3.222 5 1 JGBF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4044514 QLESPUKGSJRUHT-NMHSEYRLSA-N 498.536 3.005 5 1 JGBF CN(C)CCNC(=O)c1cccc2c(C(=O)NCCN(C)C)c3sc4ccccc4c3nc12 26178200 HKRAPPCAVXBLDA-UHFFFAOYSA-N 463.607 3.186 5 1 JGBF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1 26718746 UNBXKYWIOPBMGI-HKBOAZHASA-N 458.467 3.235 5 1 JGBF O=C(NCc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73198072 JAEHDKZTTQTTQR-HNNXBMFYSA-N 462.388 3.133 5 1 JGBF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 4049293 VHGDBESXFJQIQQ-FYYLOGMGSA-N 485.972 3.094 5 1 JGBF COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)O 35003011 OTELQQRWTMTRLI-FUHWJXTLSA-N 453.451 3.404 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081263 YZXKMLZOPJQQOF-MRXNPFEDSA-N 465.535 3.469 5 1 JGBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040645 BCHVLUHHMDZIJY-FSJXIACGSA-N 473.961 3.472 5 1 JGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850431 PZFSCKLGFWMLMW-ZMZPIMSZSA-N 457.321 3.319 5 1 JGBF Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1C(=O)O 587181588 WKBUALJBGKFBPD-UHFFFAOYSA-N 470.230 3.363 5 1 JGBF CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NCCN(C)C)C(C)(C)O2 96902227 NWTNGDYEZJWEQO-JOCHJYFZSA-N 452.599 3.153 5 1 JGBF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 101473589 PEKZKGGOKMXVCT-JPLJXNOCSA-N 450.539 3.498 5 1 JGBF COc1ccccc1CNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c([N+](=O)[O-])c1 20663235 OEISJTIYQBBQJR-XLIONFOSSA-N 474.517 3.319 5 1 JGBF O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 45256929 ISGGXISVIQRKKY-KRWDZBQOSA-N 486.460 3.074 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(N)=O)cc2[nH]1 586948757 MSXFDCVKKDBRBZ-UHFFFAOYSA-N 451.464 3.346 5 1 JGBF Cc1c(Br)cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587263921 HZGVEFGDYJXNNO-XLKFXECMSA-N 451.237 3.379 5 1 JGBF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4051829 ZPCQZJXCOLTWIO-BSIFCXSSSA-N 456.886 3.077 5 1 JGBF N[C@@H](CP(=O)(O)O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586921442 FMEHONLMKMFQKW-INIZCTEOSA-N 495.384 3.022 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055421 MBYFBGGUZXXNGT-WEZICIFLSA-N 487.896 3.488 5 1 JGBF CCOC(=O)C1=C(C)NC(C(OCC)OCC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 34734009 SGXNWGTXAZZVRP-SFHVURJKSA-N 462.499 3.335 5 1 JGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587261328 BARRCLYUUXSKQD-GFCCVEGCSA-N 462.484 3.073 5 1 JGBF CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 82193519 LJBKWVNNAXHEOG-IBGZPJMESA-N 473.555 3.424 5 1 JGBF 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C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 769457 BCHVLUHHMDZIJY-VQUVXCFPSA-N 473.961 3.472 5 1 JGBF Cc1ccccc1NC(=O)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 13553645 QCNZUUAQEMEHPZ-UHFFFAOYSA-N 464.394 3.185 5 1 JGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 587264942 QNLSDEBYFVUHRX-UHLUBPPHSA-N 452.221 3.381 5 1 JGBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCCN1CCCC1=O 2483469 SIZWCSUELPZARJ-UHFFFAOYSA-N 458.471 3.018 5 1 JGBF CN(C)C1=N[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2ccccc2Cl)NC(=N)N1 1857552210 OTAUFZPITXEACF-GOSISDBHSA-N 483.876 3.053 5 1 JGBF NCCCNCCCCNCCCNCCCCNC(=O)c1c2ccccc2nc2ccccc12 38152160 OBLFRFSIICPMKX-UHFFFAOYSA-N 478.685 3.186 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390938 SOHSHBUATYYPMT-FBJLLXQBSA-N 472.494 3.168 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)CCn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 587666606 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CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4077402 SJVHYROVFYTNJN-CBQOVEMMSA-N 499.955 3.191 5 1 JGBF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586978644 ZOEZXJZAUAMEEP-JTQLQIEISA-N 457.082 3.339 5 1 JGBF COC(=O)c1c(-c2cnn(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621578 XVKREURURZZOHO-UHFFFAOYSA-N 485.478 3.073 5 1 JGBF CC(C)(C)[C@H]1C(=O)[C@H](C2=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)C2)C(=O)N1Cc1ccc(F)cc1 169722446 FIEQOVJQSZVCGB-PZJWPPBQSA-N 487.509 3.236 5 1 JGBF Cc1ccc([C@H](OC[C@@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 13098042 DJKJEDRVBXWITK-ASDGIDEWSA-N 466.534 3.054 5 1 JGBF N=C(NC[C@H]1CCCO1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71294666 JTTQDBMWAHQDGB-QGZVFWFLSA-N 483.554 3.127 5 1 JGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264006 IVTLJSJUBHCPQL-WJWGPLDTSA-N 480.231 3.374 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587264595 NZKZDLMANVQHFU-KRWDZBQOSA-N 483.506 3.229 5 1 JGBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O 587574715 GUJTYHZTETURPE-OFNKIYASSA-N 467.386 3.475 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CC[C@H](N(C)c4ccc([N+](=O)[O-])o4)[C@H](C)C3)c(F)c2)C(=O)O1 28525806 KURFHWFPYZJMNJ-LJHODMEESA-N 489.504 3.139 5 1 JGBF COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 586975008 IOPLWXCCGPMRFN-HNNXBMFYSA-N 452.221 3.207 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](NC=O)[C@H]1O 2356800241 PWDMDSRARYDKBY-RGTXLGNISA-N 468.513 3.455 5 1 JGBF O=C(NCCCN1CCCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4048936 UWAUNRIRSAHYIH-JTHBVZDNSA-N 466.494 3.017 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2cnn3ccc(Br)cc23)C1 103299214 LQVKBARVOIWJGS-ZDUSSCGKSA-N 465.329 3.492 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](O)[C@H]1O 238743158 WVOXAIREMQIZLC-CPIBEDJHSA-N 455.470 3.342 5 1 JGBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])cnc4[nH]2)cn3C2CC2)CC1 587172652 JEXFBWJWISVRRF-UHFFFAOYSA-N 477.500 3.464 5 1 JGBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575041 HUSAODOBTWQJCH-HYBUGGRVSA-N 463.398 3.290 5 1 JGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587261909 DYGUCVLEDZVHOT-LBPRGKRZSA-N 462.484 3.073 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1 587267502 LGEJZRUTWBOWOF-CYBMUJFWSA-N 456.484 3.395 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](OC(=O)[C@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 254093839 SPSDRMFMSHXJGD-BTEQVPEFSA-N 495.572 3.064 5 1 JGBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)c1ccc([N+](=O)[O-])cc1N=C1N(c3ccccc3)CC[C@@]12O 962893914 GMIUHDBKOILMHF-HDYLNDSGSA-N 488.475 3.261 5 1 JGBF O=C(NCc1ccccc1)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12 40943223 ULHVVVYPSQOVIK-UHFFFAOYSA-N 455.434 3.263 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148717 DUQRTFIOFFZROK-MJGOQNOKSA-N 480.569 3.371 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 4212507 XUOJCNYSVJASFG-PKTZIBPZSA-N 492.573 3.074 5 1 JGBF CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081494 FHMGMBVTVBDIRM-QGZVFWFLSA-N 460.556 3.456 5 1 JGBF Cc1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979501 DNUUBSHPAHOUGD-UHFFFAOYSA-N 481.328 3.230 5 1 JGBF CCOc1ccc(-c2nn(C(=O)CCn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC 587668968 GUSLSUMWWQYADN-UHFFFAOYSA-N 478.465 3.091 5 1 JGBF COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 28950409 RFYMFMRQYWPZFX-DNRQZRRGSA-N 478.593 3.377 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](N)[C@H]1O 2356797801 OLWSNGQWGXTTDT-NVVDGROLSA-N 454.486 3.308 5 1 JGBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H](C)O)cc1 586935606 LZVZGKWHFAJOGG-MCMMXHMISA-N 463.519 3.068 5 1 JGBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963206285 ORNPAHFNCXDRST-HKARXFIJSA-N 463.519 3.068 5 1 JGBF O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857643155 YPJBTZIMSODGOV-KNTRGWTASA-N 468.413 3.459 5 1 JGBF CCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)CC2)CC1 1857652559 PPANJQUMADIAMO-UHFFFAOYSA-N 452.555 3.269 5 1 JGBF Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1C(=O)O 587180688 JPOSKGUCGMCGBS-UHFFFAOYSA-N 470.230 3.363 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135654 XLFUSURDLUJLGS-UHFFFAOYSA-N 492.511 3.150 5 1 JGBF O=C(Cc1c[nH]c2ccccc12)NCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 238771980 JUEYNNHWTRHCIZ-IBGZPJMESA-N 469.454 3.379 5 1 JGBF Cn1nc(C(=O)O)c(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587181625 XHXZTHUAHBBZHV-UHFFFAOYSA-N 470.230 3.363 5 1 JGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850696 RLNQAJHCLRINKG-ZMZPIMSZSA-N 457.321 3.319 5 1 JGBF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206649 RGYSOSIOZUFSRT-MJGOQNOKSA-N 468.293 3.119 5 1 JGBF CCN(CC)CCNC(=O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12 40380567 YIBNLTBAMPSOTG-UHFFFAOYSA-N 463.319 3.358 5 1 JGBF CN(C)CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081079 BWQSKPVTTRHTID-GOSISDBHSA-N 468.535 3.164 5 1 JGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1 82082397 LGDDVAMLUAENQW-IBGZPJMESA-N 459.572 3.075 5 1 JGBF Nc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085083 UFJBZHVVUMXVLA-IBGZPJMESA-N 451.508 3.222 5 1 JGBF CC1=C(c2ccc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc3c2)NNC(=O)C1 587079262 IKSLDSMFWXXTAS-UHFFFAOYSA-N 468.861 3.088 5 1 JGBF COc1cc2c3c(c1)O[C@@]1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587434049 PQDZCRUQIRCSJY-BUBHHJDNSA-N 490.380 3.158 5 1 JGBF O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 45290044 CLZQOEMZAKARGN-UHFFFAOYSA-N 483.960 3.161 5 1 JGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587261329 BARRCLYUUXSKQD-LBPRGKRZSA-N 462.484 3.073 5 1 JGBF CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 33728962 BANSTYDAZSQOBZ-YWNPBTLJSA-N 455.442 3.054 5 1 JGBF O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 13831777 CJDCIPZSEQCGGH-NRFANRHFSA-N 451.410 3.387 5 3 JGBF CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081496 HBBYFSDFDXSMEJ-MRXNPFEDSA-N 475.523 3.457 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82135018 XUBLVKDXTRMDSW-LPNJYYIDSA-N 480.569 3.400 5 1 JGBF Cc1cc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2cc1[N+](=O)[O-] 587138903 AZOOTHZUUQCUST-UHFFFAOYSA-N 499.318 3.369 5 1 JGBF C[C@@]12O[C@@H](C[C@@H](O)[C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356611698 GWILJQBMYLXBHZ-WSSSWDRZSA-N 453.454 3.113 5 1 JGBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ncc([N+](=O)[O-])n1C 40863599 AFHUBFCNMVHQSX-OAQYLSRUSA-N 467.526 3.175 5 1 JGBF CCOc1cc(NC(=O)CCCCCNC(=O)[C@H](N)Cc2ccccc2)cc2c1OCC([N+](=O)[O-])=C2 1772638638 WUVVCJMIMBXXIV-JOCHJYFZSA-N 496.564 3.280 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135772 VECGGRWKNSDSIO-UHFFFAOYSA-N 494.939 3.304 5 1 JGBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](OCC(F)(F)F)c2cc3c([N+](=O)[O-])cccc3nc2-1 27198898 DSXRMFXNSZFLIS-CTNGQTDRSA-N 491.378 3.065 5 1 JGBF COCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82134821 GDSZHZOYWDUMIT-UHFFFAOYSA-N 465.510 3.481 5 1 JGBF CC(C)(C)c1ccccc1N1CCN(C[C@@H](O)COCCOc2cccc([N+](=O)[O-])c2)CC1 103254647 NWMJVDXRGJRXTA-OAQYLSRUSA-N 457.571 3.471 5 1 JGBF O=[N+]([O-])c1ccccc1/C=C(\c1nc2ccccc2s1)C(P(=O)(O)O)P(=O)(O)O 40974581 LIQPVGGINMOKOW-PKNBQFBNSA-N 456.309 3.427 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H]([C@H](C)O)[C@H](O)[C@H]3O)c21 59796625 XCWHINLKQMCRON-VHXPCKQRSA-N 494.496 3.008 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c21 139392724 MSXWAMODDZJPTG-OTEDUGRMSA-N 494.496 3.008 5 1 JGBF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 299819704 DUCKJOVLAAEGNV-KRWDZBQOSA-N 474.392 3.015 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586927927 ZUYZVHOQYJSTBY-UHFFFAOYSA-N 452.286 3.453 5 1 JGBF COC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587263887 HKOHFPFLGYRDJF-VXJOIVPMSA-N 494.258 3.462 5 1 JGBF CCOC(=O)c1sc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C 1812533 JYZLPVPMDCADRR-CVEARBPZSA-N 483.458 3.286 5 1 JGBF O=C(c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1)N1CCN(CCO)CC1 587266153 VZXDKPHXRKDDQO-UHFFFAOYSA-N 461.478 3.148 5 1 JGBF O=C(C[C@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 1772603371 PGZYYMFVGCZYJW-QFIPXVFZSA-N 457.490 3.430 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](N)[C@@H]1O 2356797800 OLWSNGQWGXTTDT-KSLNPTRESA-N 454.486 3.308 5 1 JGBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586938049 UJVZVACPKNRHIE-LBPRGKRZSA-N 451.486 3.152 5 1 JGBF COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 29389508 PHYBBVYOJUKUNL-UHFFFAOYSA-N 453.539 3.241 5 1 JGBF COc1cccc(-n2nnc(C)c2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 84652674 UXLNGXWECHLNLI-UHFFFAOYSA-N 456.890 3.108 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587264342 MAHZXDWRCGLYLR-HNNXBMFYSA-N 483.506 3.229 5 1 JGBF O=[N+]([O-])c1ccc(Nc2nc(N3CCc4cccnc4C3)nc(N3CCc4cccnc4C3)n2)cc1 28339122 ONKVJJVHXRFWGA-UHFFFAOYSA-N 481.520 3.439 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1 587939382 CQMVSFROLFFWJC-UHFFFAOYSA-N 459.260 3.381 5 1 JGBF Cc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1 59837324 MRBINCMUBDCBPR-RCZVLFRGSA-N 460.490 3.418 5 3 JGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 587266738 NXRMHAADVVETMC-KBUNVGBDSA-N 455.200 3.210 5 1 JGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587265815 XLFZCFQYVKXEJY-VXJOIVPMSA-N 489.388 3.207 5 1 JGBF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccccc1[N+](=O)[O-] 101036680 UQWMBPJHPDHLRI-UHFFFAOYSA-N 476.470 3.225 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169726917 XFHQCFSZOLAQEE-VQTJNVASSA-N 454.483 3.436 5 1 JGBF Cc1ccc(Oc2ccc([C@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)cc2[N+](=O)[O-])cc1 963220156 MIGSYQBSQXRTOI-LEDOBFOHSA-N 473.489 3.266 5 1 JGBF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C(C)C)cc1 586938317 QDTLJPBGVNGTNJ-HXUWFJFHSA-N 459.528 3.091 5 1 JGBF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055378 NRERDWQTPHULIS-ICSRJNTNSA-N 461.858 3.221 5 1 JGBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850427 PZFSCKLGFWMLMW-BBATYDOGSA-N 457.321 3.319 5 1 JGBF N=C(N)c1ccc2nc(-c3cc([C@@H](CC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1 14956826 PUUQNMDXLJJKHW-MRXNPFEDSA-N 489.444 3.438 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Cl)cc1OCCn1c([N+](=O)[O-])cnc1C 45358789 QVRNZZBEQARJIM-UHFFFAOYSA-N 478.849 3.102 5 1 JGBF CC(C)CN(C[C@@H](O)COC(=O)Nc1cccc2[nH]ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299829514 KCDFMYPISLKCTL-QGZVFWFLSA-N 490.538 3.332 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748756 WDVHXJGNMJGISQ-GIPWTMENSA-N 465.275 3.406 5 1 JGBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCN(C4CCCCC4)CC3)c12 49588926 GGEWKBOTQBMEGV-HXUWFJFHSA-N 463.578 3.164 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O 587576274 NWPAYHPKRJPRQO-XXBNENTESA-N 467.386 3.475 5 1 JGBF CN[C@H]1[C@H](O)[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 238732162 QKBKQHZMMIJMJW-JSEZCHGOSA-N 482.540 3.325 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 586919667 DIPWIFMENQWVAU-UHFFFAOYSA-N 476.106 3.365 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149328 BWSHEMVJQSZFIY-UHFFFAOYSA-N 452.515 3.101 5 1 JGBF N[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCOC1 587248755 VOOLSJPZBWPAKU-VWLOTQADSA-N 457.442 3.419 5 1 JGBF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767710 RVTISJGJXPSZEC-NGYIFUPDSA-N 475.457 3.265 5 1 JGBF COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc4c3c(nn4CCN3CCCCC3)c2c1 26987680 ONQGUPRWUAJCTD-UHFFFAOYSA-N 462.598 3.457 5 1 JGBF COc1ccccc1CCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148414 GTFZCECWTQJOLB-UHFFFAOYSA-N 463.494 3.187 5 1 JGBF O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206464 PKSAWTLJPMAQSY-TZIWHRDSSA-N 493.347 3.442 5 1 JGBF CCOC(=O)C1=C(COCc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726966 QJKDZDOIWNZKPX-SFTDATJTSA-N 467.478 3.371 5 1 JGBF Cc1onc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080558 WMDHSAXBNMDLGE-UHFFFAOYSA-N 456.894 3.085 5 1 JGBF C[C@@]12O[C@@H](C[C@H](O)[C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356611697 GWILJQBMYLXBHZ-AKKQQGKISA-N 453.454 3.113 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4274910 AVCXBQOFVPTYKC-YHYVQYDKSA-N 490.557 3.411 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748760 WDVHXJGNMJGISQ-YBTHPKLGSA-N 465.275 3.406 5 1 JGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 768722 NGPHWKYMJWOEKA-PZJWPPBQSA-N 475.885 3.216 5 1 JGBF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 103191246 IGSVNFUFGBDQGQ-QGZVFWFLSA-N 452.286 3.285 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)NCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1772582353 FLCQTUBGHRBUGP-JOCHJYFZSA-N 466.494 3.205 5 1 JGBF CN(C)CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086095 HRBBZHSAKNVBDV-FQEVSTJZSA-N 498.561 3.138 5 1 JGBF Cc1c(Br)cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587263916 HZGVEFGDYJXNNO-CLAHSXSESA-N 451.237 3.379 5 1 JGBF O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 84687113 HNKPRGDXLNUTBD-PCCBWWKXSA-N 459.414 3.344 5 1 JGBF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207085 KGTVAEYIZRTZME-QUCCMNQESA-N 461.858 3.221 5 1 JGBF O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 26674134 LGOPTXVXIAQSOD-BGYRXZFFSA-N 474.520 3.351 5 1 JGBF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4044516 QLESPUKGSJRUHT-QDEHWEBASA-N 498.536 3.005 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4274909 AVCXBQOFVPTYKC-ZPMCFJSWSA-N 490.557 3.411 5 1 JGBF CCc1nnn(-c2ccccc2OC)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84759191 COUHRBJKKIAEHT-UHFFFAOYSA-N 470.917 3.362 5 1 JGBF NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(C(=S)Nc1ccc(F)cc1)C2 103257760 IZEOZXMAXOZTNG-UHFFFAOYSA-N 489.510 3.495 5 1 JGBF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)CC1 586957354 ZNOJLTINFHFBPY-UHFFFAOYSA-N 486.557 3.179 5 1 JGBF O=C(Nc1ccccc1)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-] 95578964 ZKPWWIYOQKBVFK-UHFFFAOYSA-N 471.477 3.382 5 1 JGBF O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1 72105560 AJAVXMVXFONBEH-UHFFFAOYSA-N 463.545 3.224 5 1 JGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N 82081916 PXTPOORXGGGTBZ-LJQANCHMSA-N 453.524 3.371 5 1 JGBF Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1 2014078 UJDJNIQBILGFRO-NRFANRHFSA-N 488.500 3.045 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587748044 RXWSKOPPBBXANB-YBTHPKLGSA-N 465.275 3.406 5 1 JGBF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4053526 RVTISJGJXPSZEC-KWOQKUFVSA-N 475.457 3.265 5 1 JGBF COc1cc([C@@H]2Oc3c(O)cc4c(=O)c5ccccc5oc4c3O[C@H]2CO)cc(OC)c1O 14718237 UCBWYFQQXLZEPP-RXVVDRJESA-N 452.415 3.248 5 1 JGBF biogenic Cn1c(Cc2ccc([N+](=O)[O-])cc2)nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c1=O 84655348 VXJSRIUGEDTQGG-UHFFFAOYSA-N 462.437 3.207 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4056095 NGPHWKYMJWOEKA-CTNGQTDRSA-N 475.885 3.216 5 1 JGBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135302 YCOPJDPPRSMFHZ-HKUYNNGSSA-N 480.569 3.371 5 1 JGBF COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)NN1CC[N+](C)([O-])CC1 40914364 OWTSXQUBLWFLQS-VUVXTBABSA-N 495.576 3.025 5 1 JGBF CCOC(=O)C1=C(C(=O)OCC)N(c2cccc([N+](=O)[O-])c2)CN(c2cccc([N+](=O)[O-])c2)C1 96927607 SSLGHLQZAHVVBX-UHFFFAOYSA-N 470.438 3.167 5 1 JGBF Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1 96928378 WYGIWVHEHGQNJZ-UHFFFAOYSA-N 455.569 3.043 5 1 JGBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)O 587574714 GUJTYHZTETURPE-NZQKXSOJSA-N 467.386 3.475 5 1 JGBF O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 1857589652 XTSXLKILHYHOFI-HDAAZOAOSA-N 473.411 3.099 5 1 JGBF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4050934 MMTYACMODRMLNU-DPQOWFAMSA-N 489.484 3.135 5 1 JGBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c2cc(F)c(N3CCNCC3)nc21 43071602 OUCGEXZJPFHRAX-UHFFFAOYSA-N 454.487 3.150 5 1 JGBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C=C(C)OC(=O)/C1=C/NNc1cccc([N+](=O)[O-])c1 963614145 WGFVFFPPEZKHSV-LTVNIISESA-N 466.494 3.303 5 1 JGBF CC(C)(C)[C@H]1C(=O)[C@@H](C2=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)C2)C(=O)N1Cc1ccc(F)cc1 169722445 FIEQOVJQSZVCGB-TZIWHRDSSA-N 487.509 3.236 5 1 JGBF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053704 IEVVQJAWWXGPRE-YVWKXTFCSA-N 456.886 3.125 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@H]21 195488609 ZPJRZGXHUHSGBE-JWKLYUKHSA-N 464.405 3.024 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)c21 2356571262 MSXWAMODDZJPTG-BTZXBORWSA-N 494.496 3.008 5 1 JGBF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767945 IEVVQJAWWXGPRE-HQRMLTQVSA-N 456.886 3.125 5 1 JGBF COc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657529 ZEQLEDLGLXMOSM-NSHDSACASA-N 455.377 3.356 5 1 JGBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1cnc([N+](=O)[O-])n1C 1772616645 CTVSIPYPLRROTM-UHFFFAOYSA-N 457.439 3.173 5 1 JGBF Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(Cc5ccc(F)cc5)CC4)cc3nc21 28017301 NYFYHXIUSGTTHI-UHFFFAOYSA-N 464.472 3.385 5 1 JGBF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)cc1 586944974 URYOEFSMIYJESN-UHFFFAOYSA-N 451.464 3.214 5 1 JGBF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055123 XPDQQKSNDHYRMW-CTNGQTDRSA-N 493.347 3.442 5 1 JGBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148227 FPPJZCQSFMWWDB-SYNHAJSKSA-N 466.542 3.062 5 1 JGBF CCO/C(O)=C1\C(COCCn2ccnc2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27711869 AJMAYWHGRNRLSV-VLMSHNLISA-N 470.482 3.299 5 1 JGBF CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084895 WXGJMEMIMLDAJD-UHFFFAOYSA-N 461.588 3.467 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135793 LZDHZRWIRXBEQR-UHFFFAOYSA-N 488.548 3.319 5 1 JGBF O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccc(F)cc3)n[nH]c2c1=O)c1cccnc1 49033574 CPRMBGJYBSLDCA-UHFFFAOYSA-N 471.408 3.280 5 1 JGBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CCOCC2)cc1 769714 YAAODALOQUQPGU-FPOVZHCZSA-N 458.902 3.265 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1=O 4214345 ZDYQSTOGJJYCQS-GOTSBHOMSA-N 488.541 3.466 5 1 JGBF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586976748 BSFNQGQVGXANOE-VIFPVBQESA-N 457.082 3.339 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1nccc(Cl)n1)C(Cl)(Cl)Cl 1857565169 HNEUVOYKOCPYHY-JTQLQIEISA-N 473.104 3.078 5 1 JGBF COc1cc(O)c2c(=O)c3ccc4c(c3oc2c1)O[C@@H](CO)[C@H](c1cc(OC)c(O)c(OC)c1)O4 2356486309 NGLVDMIISAUIAQ-CVDCTZTESA-N 482.441 3.257 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 587273631 JLSAESDVFZZAJI-CYBMUJFWSA-N 456.484 3.281 5 1 JGBF COc1ccc2c(c1OC)[C@](C)(CC[N+](=O)[O-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775049 IBYJVZJBVLWZBC-DEOSSOPVSA-N 451.479 3.335 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 772103 UZMAMQLFEBNRQX-LXGVVRJTSA-N 487.896 3.488 5 1 JGBF O=C(O)c1cc(NC(=S)NCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 28862468 RVDKKVUJQIHRCB-UHFFFAOYSA-N 450.472 3.247 5 1 JGBF C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C[N+](=O)[O-])CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C[C@@H](O)[C@@H]1O 36107877 XDRNASYUVVKVMX-PADCASHBSA-N 481.630 3.279 5 1 JGBF CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cncc([N+](=O)[O-])c4[nH]3)cccc12 586944031 NASFNKBIYNDBDJ-KRWDZBQOSA-N 497.581 3.234 5 1 JGBF CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc([N+](=O)[O-])c2)C(=O)O)cc1 38400477 YFVWNOBDOYWXQX-IBGZPJMESA-N 451.439 3.220 5 1 JGBF O=[N+]([O-])c1cc(-c2nnn(CSc3nnnn3-c3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1 1772656478 CORGGENOIMNROS-UHFFFAOYSA-N 495.268 3.189 5 1 JGBF CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 142431980 DCAYZGCTSXLIHO-FYCNXDEQSA-N 465.513 3.195 5 1 JGBF in-vitro CCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 13916375 MGVGRKCWAMZYNI-AOMKIAJQSA-N 463.490 3.157 5 1 JGBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(-c5ccccn5)c4)cc3c(=O)c2c1 72112666 LJJNUHXTGGXNRD-UHFFFAOYSA-N 472.530 3.214 5 1 JGBF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 169720548 BBRWTARMBTVUHZ-SVFBPWRDSA-N 450.520 3.364 5 1 JGBF COc1cc2c3c(c1)OC1(c4c([N+](=O)[O-])ccc(O)c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587434141 RMYSPTSDWPOQTG-NSHDSACASA-N 490.380 3.158 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040646 BCHVLUHHMDZIJY-XDCJIHQESA-N 473.961 3.472 5 1 JGBF CN1CCN(c2ccc(-c3c4c(=O)[nH]c(=S)[nH]c4nc4[nH]c(=S)sc(=N)c34)cc2)CC1 101630484 LMVAWUNIEBNCKW-UHFFFAOYSA-N 469.621 3.151 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 587867787 BBNZYXAZXKAQIP-UHFFFAOYSA-N 477.399 3.406 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)NCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1772582354 FLCQTUBGHRBUGP-QFIPXVFZSA-N 466.494 3.205 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135319 YDRPNCSCYLWBEL-AOIWGVFYSA-N 480.569 3.404 5 1 JGBF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148134 KNIZCEYXQSFCPC-GOSISDBHSA-N 466.542 3.064 5 1 JGBF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccc([N+](=O)[O-])cc21 101077752 OYKPIQPOIFLQQH-UHFFFAOYSA-N 456.480 3.222 5 1 JGBF CCOC(=O)Cc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263582 VJDCKFYIXXDEOW-UHFFFAOYSA-N 451.483 3.060 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@@H]2c3cccc(Br)c3CCN2C)c1OCC(=O)O 963289273 LKGKSMDYEQCBGZ-SFHVURJKSA-N 451.273 3.407 5 1 JGBF O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 768594 XPDQQKSNDHYRMW-FPOVZHCZSA-N 493.347 3.442 5 1 JGBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4077393 SJVHYROVFYTNJN-KAGYGMCKSA-N 499.955 3.191 5 1 JGBF O=C(NC(=S)Nc1cccc(Cl)c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103286551 MMSBHBFEZVGNNQ-UHFFFAOYSA-N 468.922 3.028 5 1 JGBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586928219 ZIZRRXSLHRWPMK-UHFFFAOYSA-N 486.959 3.273 5 1 JGBF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586931950 QGYMMADFHMAHGL-UHFFFAOYSA-N 455.290 3.063 5 1 JGBF C[C@@](O)(CS(=O)(=O)c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857600992 XNJKDNAVVZOFOD-MRXNPFEDSA-N 468.356 3.055 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 768721 NGPHWKYMJWOEKA-FPOVZHCZSA-N 475.885 3.216 5 1 JGBF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774919 WTBXSRPIAHJCFW-LLVKDONJSA-N 452.250 3.307 5 1 JGBF CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccccc1C 103001362 PENWKYSAXSCCOX-TUOOXJGHSA-N 486.528 3.054 5 1 JGBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N2CCOCC2)cc1 769716 YAAODALOQUQPGU-PZJWPPBQSA-N 458.902 3.265 5 1 JGBF COc1ccc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc1O 13380992 WQAYAASFEHKNCW-WIYYLYMNSA-N 452.415 3.248 5 1 JGBF biogenic NS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118939 TWTCNDQHBKEGQI-UHFFFAOYSA-N 466.401 3.049 5 1 JGBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 963216727 AGIZNHIABFUJTH-VWNXMTODSA-N 462.506 3.040 5 1 JGBF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 103191242 IGSVNFUFGBDQGQ-KRWDZBQOSA-N 452.286 3.285 5 1 JGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264005 IVTLJSJUBHCPQL-UOWDBTKRSA-N 480.231 3.374 5 1 JGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 772355 GYOKSEZRVGZXFR-UYAOXDASSA-N 475.885 3.203 5 1 JGBF Cc1cc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)ccc1[N+](=O)[O-] 117047090 OTYIDDDCZAETPY-UHFFFAOYSA-N 472.465 3.130 5 1 JGBF CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](OC(=O)[C@@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 299810342 SPSDRMFMSHXJGD-CZPIQHCUSA-N 495.572 3.064 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390939 SOHSHBUATYYPMT-LYAKXMMSSA-N 472.494 3.168 5 1 JGBF CCOC(=O)C1=C(COCCc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726940 VNACHEYFXCMOKS-FCHUYYIVSA-N 481.505 3.414 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 768028 ZJWDBHSROYPIDG-ZPDQPEGFSA-N 474.901 3.135 5 1 JGBF COc1c(O)cc(C[C@H](O)C(C)(C)O)c2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)C(C)(C)O4 238760052 XMRQUVGUYGWGGP-HNNXBMFYSA-N 458.507 3.489 5 1 JGBF COC(=O)[C@H](C)NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O 40846591 OZETXMFIGMWBRN-ZDUSSCGKSA-N 482.496 3.333 5 1 JGBF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586932258 YDWCMPFOCFAIFX-UHFFFAOYSA-N 455.290 3.063 5 1 JGBF O[C@@H]1C[N+]2(Cc3ccc(OCCOc4ccc(C[N+]56CCC(CC5)[C@H](O)C6)cc4)cc3)CCC1CC2 1857538044 AZOALHFUVDKBMY-UVQQEEJYSA-N 494.676 3.347 5 1 JGBF O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081729 CVVUIHXSYLCBCE-SFHVURJKSA-N 493.545 3.047 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 587216359 AGXMDFLLSNZCEF-OAQYLSRUSA-N 450.472 3.127 5 1 JGBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](Cc1nc(-c3cccnc3)no1)CCO2 1857564440 TWLDJDXMICBMJI-OAHLLOKOSA-N 453.455 3.277 5 1 JGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 169726948 QUSGBELKKOHECA-VQTJNVASSA-N 454.483 3.435 5 1 JGBF CS(=O)(=O)c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925398 HUOYZINGVNFGRS-UHFFFAOYSA-N 450.904 3.027 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82150254 DWFWPWRCBRAPTE-UHFFFAOYSA-N 456.547 3.354 5 1 JGBF O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081430 CHFPJMAJHOHZRY-KRWDZBQOSA-N 471.583 3.173 5 1 JGBF CC(=O)N[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccc(O)cc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1857762931 PCZMADWTNISXIC-FYTWVXJKSA-N 496.523 3.322 5 1 JGBF C[C@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 1857764662 NEPZGORZKOUWMU-BWNIXSQGSA-N 455.470 3.178 5 1 JGBF O=C1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1 26980929 PKFJJBASNOKRCI-UHFFFAOYSA-N 468.447 3.410 5 1 JGBF COc1ccc2nccc([C@@H](O)CN3CCC(NCCOc4ccc(F)cc4[N+](=O)[O-])CC3)c2c1 45226751 HZQVCOXCIGNSNO-DEOSSOPVSA-N 484.528 3.457 5 1 JGBF COc1cc(O)c2c(=O)c3ccc4c(c3oc2c1)O[C@H](CO)[C@@H](c1cc(OC)c(O)c(OC)c1)O4 238731288 NGLVDMIISAUIAQ-AUSIDOKSSA-N 482.441 3.257 5 1 JGBF CCCc1noc(C2CCN(c3ncnc(Nc4ccc(S(C)(=O)=O)cc4)c3[N+](=O)[O-])CC2)n1 40845914 HROYOPFZZRTECV-UHFFFAOYSA-N 487.542 3.251 5 1 JGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 72142411 YVUFQFHSLDPKSJ-HNNXBMFYSA-N 467.360 3.004 5 1 JGBF O=C(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82153601 QDFJTBBKCHMQJQ-INIZCTEOSA-N 462.384 3.433 5 1 JGBF COc1cc(O)c2c(=O)c3ccc4c(c3oc2c1)O[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O4 140039605 TVLAUXLPQDZABI-DENIHFKCSA-N 452.415 3.248 5 1 JGBF COc1c(O)cc(C[C@@H](O)C(C)(C)O)c2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)C(C)(C)O4 2356760994 XMRQUVGUYGWGGP-OAHLLOKOSA-N 458.507 3.489 5 1 JGBF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4054666 FWPDMIPZLZIMJB-ZKYUUJBMSA-N 477.901 3.244 5 1 JGBF Cc1c(O)ccc2c1[C@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1[N+](=O)[O-])N[C@H](C(=O)O)C2 963505516 BMPSBZCYHCHSDP-ZYMUVWPBSA-N 454.479 3.342 5 1 JGBF Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1 15936267 IMCVTKXRCHCWMY-OAQYLSRUSA-N 453.543 3.066 5 3 JGBF COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 38211379 RWFWNRUKLKCCLS-UHFFFAOYSA-N 475.505 3.339 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 587667712 QSJMIOYGRFKOTN-UHFFFAOYSA-N 476.493 3.369 5 1 JGBF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049138 KIBKQSPWKZWKGJ-GMAHTHKFSA-N 470.526 3.162 5 1 JGBF Cc1nc2c3ccccc3n3c(CCCC(=O)NCCc4c[nH]c5ccccc45)nnc3n2n1 9860202 VLVRVJRYRYLFOM-UHFFFAOYSA-N 452.522 3.397 5 1 JGBF COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(OC)cc(O)cc5oc4c3O[C@@H]2CO)ccc1O 13381000 WPQPZXDSZHOTDQ-DENIHFKCSA-N 482.441 3.257 5 1 JGBF biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccccc1C 103001365 PENWKYSAXSCCOX-XQNBWLEASA-N 486.528 3.054 5 1 JGBF O=C1CN(c2ccccc2)C(=O)[C@H](Cc2c([C@H](O)c3ccccc3[N+](=O)[O-])[nH]c3ccccc23)N1 1857562068 CYKJCGHKSZONPS-SQJMNOBHSA-N 470.485 3.232 5 1 JGBF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 4049291 VHGDBESXFJQIQQ-GGAORHGYSA-N 485.972 3.094 5 1 JGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587273311 RIDVVNLLHWSRTL-KBPBESRZSA-N 489.204 3.285 5 1 JGBF CCOc1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC 587669571 KPFZOFOFSRBRRI-UHFFFAOYSA-N 463.450 3.306 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H]3O)ccc(O)c12 11592982 BJPYMDSMDBCKEP-RVADBEJCSA-N 496.512 3.063 5 1 JGBF COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(c5nc6ccccc6o5)CC4)cc3n(C)c2c1 42891344 FYOZEAZUNXOJKR-UHFFFAOYSA-N 471.517 3.456 5 1 JGBF NCCc1c[nH]c2ccc(OCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 13743212 BTDYXGVLMLMAGC-UHFFFAOYSA-N 451.527 3.085 5 1 JGBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586945868 MMZRPWGBLLYTCR-LBPRGKRZSA-N 481.328 3.358 5 1 JGBF O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050572 WIKLGCXJECSNPY-IRLDBZIGSA-N 470.913 3.469 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575042 HUSAODOBTWQJCH-RDPSFJRHSA-N 463.398 3.290 5 1 JGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 768902 YVWHKCBSMJDPOZ-TZIWHRDSSA-N 491.928 3.492 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054571 ZJWDBHSROYPIDG-SIJSFFJVSA-N 474.901 3.135 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215460 CNJZQVMSPBDRGN-RXYZOABWSA-N 474.514 3.074 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4274911 AVCXBQOFVPTYKC-VOQZNFBZSA-N 490.557 3.411 5 1 JGBF CN(CCCCOc1ccccc1[N+](=O)[O-])C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 49125732 IZRVPXUUCNNJMO-JOCHJYFZSA-N 461.469 3.143 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135903 ZOMMJQRWLJUUHO-UHFFFAOYSA-N 468.901 3.183 5 1 JGBF C[C@]12O[C@H](C[C@@H](O)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 142496857 GWILJQBMYLXBHZ-SMGGHZSKSA-N 453.454 3.113 5 1 JGBF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])[C@H]1NC(C)=O 1857550102 MMEKNSSAHLMHDB-USXIJHARSA-N 485.335 3.026 5 1 JGBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](Cc1nc(-c3cccnc3)no1)CCO2 1857564439 TWLDJDXMICBMJI-HNNXBMFYSA-N 453.455 3.277 5 1 JGBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4077713 KIKDZZRMWWWGBX-ICSRJNTNSA-N 475.885 3.203 5 1 JGBF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc([N+](=O)[O-])cc3)nc2n1 139424670 XSKGTHOVNPOCHV-HOTGVXAUSA-N 450.499 3.050 5 1 JGBF COc1cc(-c2nnc(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 28648964 DXPURAKFIYMNEY-UHFFFAOYSA-N 451.482 3.113 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCc3ccccn3)nc3ccccc32)c([N+](=O)[O-])c1 26650042 UPXAUIJOYSWNPM-UHFFFAOYSA-N 453.436 3.270 5 1 JGBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]1c1ncc([N+](=O)[O-])n1C 40391911 JEKIBQKQMJKGQD-JOCHJYFZSA-N 481.553 3.217 5 1 JGBF CC(C)CN(C[C@@H](O)COC(=O)Nc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 139751947 IHWGXVRNGFKEIZ-LJQANCHMSA-N 490.538 3.332 5 1 JGBF COc1cccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)c1O 2356726654 QSJCSEZWTTXFSZ-UTKZUKDTSA-N 452.415 3.248 5 1 JGBF CC1(C)CC(=O)c2c(O)ccc3c2N1C(=O)[C@@]31C[C@]2([N+](=O)[O-])CN3CCC[C@H]3C[C@@H]2C1(C)C 2356829035 BODXCOIFDQVMAL-OEFZHGCCSA-N 453.539 3.271 5 1 JGBF COc1cc(-c2nnc(COC[C@H]3CC(c4ccc([N+](=O)[O-])cc4)=NO3)o2)cc(OC)c1OC 45301880 QFZCHNVWEMBKFC-MRXNPFEDSA-N 470.438 3.380 5 1 JGBF CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 473159860 XXXDTJIQSOTZCA-PDOICOKGSA-N 461.268 3.090 5 1 JGBF O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 13443343 OCJWJVGLCJGMQU-HXUWFJFHSA-N 459.568 3.355 5 1 JGBF Cc1sc2nc(SCCCN3CCN(c4ccccc4[N+](=O)[O-])CC3)n(N)c(=O)c2c1C 26026617 MJIJFXIRAWKNGV-UHFFFAOYSA-N 474.612 3.001 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085197 XVXZFOMHKLMEHF-LJQANCHMSA-N 451.508 3.222 5 1 JGBF CCOc1cc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(Cl)cc1C(=O)O 587941713 RTBLTHBTYOORLT-UHFFFAOYSA-N 450.835 3.425 5 1 JGBF COc1ccc(NC(=O)N2CCc3c(sc(NC(=O)c4ccc([N+](=O)[O-])o4)c3C(N)=O)C2)cc1 103257756 RXMOPAMSIGXAJI-UHFFFAOYSA-N 485.478 3.199 5 1 JGBF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C3)c2c1 169351172 UXCMWYQDKKJYMD-UHFFFAOYSA-N 478.461 3.096 5 1 JGBF CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H]1c1ccccc1 28867527 DQVRVXHDLWGNDQ-LJQANCHMSA-N 465.510 3.251 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135219 LFKBSXBMKJFCTL-UHFFFAOYSA-N 457.531 3.389 5 1 JGBF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586933032 LSWQTEUKMKYMJH-UHFFFAOYSA-N 479.474 3.215 5 1 JGBF C[C@](O)(CSc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13554392 PVYVPPQUOZJUFV-KRWDZBQOSA-N 493.485 3.467 5 1 JGBF COc1cc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2Cl)c([N+](=O)[O-])cc1OC 27999078 BFQXMYQWQDBSLL-UHFFFAOYSA-N 487.962 3.190 5 1 JGBF O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857643154 YPJBTZIMSODGOV-HEJPQYQCSA-N 468.413 3.459 5 1 JGBF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4051827 ZPCQZJXCOLTWIO-PBEJRMEISA-N 456.886 3.077 5 1 JGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4208271 HVTHZEFDTOPYIM-TZIWHRDSSA-N 475.885 3.216 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135347 LAMAHUWFHRQNHT-UHFFFAOYSA-N 457.531 3.167 5 1 JGBF O=C(c1[nH]nc([N+](=O)[O-])c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656115 AYZOWGQBGWOLCZ-UHFFFAOYSA-N 458.203 3.285 5 1 JGBF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1[N+](=O)[O-] 586951432 NKEDCLUXTHFGAO-UHFFFAOYSA-N 482.272 3.250 5 1 JGBF COCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1 82148079 JUMSJXOHQHKLAO-UHFFFAOYSA-N 465.466 3.159 5 1 JGBF C=Cc1c(C)n([C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC)c2c1c1c(c3c4ccccc4[nH]c32)CNC1=O 2356804204 XSHFTELAEMNXHQ-OVMGMSIHSA-N 461.518 3.125 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135517 AZMHRZLBNDLSMB-UHFFFAOYSA-N 452.515 3.101 5 1 JGBF COc1nn(CCOCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12 49803512 HNGOFMPHFBCIGI-VMPITWQZSA-N 465.554 3.301 5 1 JGBF CCOC(=O)c1cnn(-c2ccc(F)cc2)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857656680 IEAZHOBOHMKQJD-UHFFFAOYSA-N 466.381 3.455 5 1 JGBF CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 13878944 JHGXOSBRFKPAIX-QGZVFWFLSA-N 463.332 3.453 5 3 JGBF CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 96905716 BKFZZWVUKDCIEL-ZDUSSCGKSA-N 471.464 3.258 5 1 JGBF COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C[C@H](O)CN(C)C)c4c1n2C)C(=O)NC3=O 14944043 XIKQYZCJVULUHD-CQSZACIVSA-N 470.529 3.254 5 1 JGBF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(N[C@H](CO)Cc4cccc([N+](=O)[O-])c4)cc[nH]c3=O)nc12 28893745 BKRGYNTUUTUYRH-KRWDZBQOSA-N 485.504 3.336 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](O)[C@@H]1O 2356580723 WVOXAIREMQIZLC-ZLYDQFINSA-N 455.470 3.342 5 1 JGBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 4049697 CGYLIYUNGMNNNG-QBXAIUQQSA-N 469.494 3.124 5 1 JGBF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(C)C)cc1 586933880 ZCTAQIMLBRLYQT-LJQANCHMSA-N 479.946 3.436 5 1 JGBF O=C(N1CCN(c2ccccn2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1857640647 AUHXCPOERGEKOP-UHFFFAOYSA-N 464.448 3.073 5 1 JGBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 6041923 ZIJLUYIGIUHGDD-CALCHBBNSA-N 468.447 3.091 5 1 JGBF O=[N+]([O-])c1ccc(NCCNc2ncc(-c3nn[nH]n3)c(-c3ccc(Cl)cc3Cl)n2)nc1 1772647024 MYMSZKXULXUWOD-UHFFFAOYSA-N 473.284 3.458 5 1 JGBF O=C1[C@@H]2[C@@H](C=C[C@H]([C@@H](O)c3ccccc3)N2Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 1857620070 FHKPYEUWVNNZBC-LWSSLDFYSA-N 470.485 3.454 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC 4153597 CXEAJKOYPBRHDH-KJIIINLPSA-N 499.520 3.337 5 1 JGBF Cc1noc2c(Cc3ccc([N+](=O)[O-])cc3)nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)c12 84586941 HXJASLNMNAXSTJ-UHFFFAOYSA-N 475.490 3.484 5 1 JGBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cccc12 586941518 APKXVIMSMQIRAC-UHFFFAOYSA-N 470.467 3.077 5 1 JGBF O=C(NS(=O)(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1857650170 ABKPJJNCMNNCMN-OALUTQOASA-N 457.489 3.260 5 1 JGBF O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 40429290 GWZIFPKRIRJTOK-UHFFFAOYSA-N 464.444 3.413 5 1 JGBF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2480422 GYNMMJMVWMDHEJ-UHFFFAOYSA-N 455.423 3.420 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148790 FQLZCQXEYHUXCK-UHFFFAOYSA-N 466.542 3.125 5 1 JGBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc([N+](=O)[O-])cc1c3[nH]n2CCN1CCCCC1 84410026 ZNAIDARSZDGIEA-UHFFFAOYSA-N 477.569 3.356 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C(C)=O)c2c1 587621151 QAGBAZSETSDAFA-UHFFFAOYSA-N 469.479 3.489 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587747594 OUOPYCBHGXVQLM-BIBXISHDSA-N 465.275 3.406 5 1 JGBF O=[N+]([O-])c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 29415984 WUUSIZOTHUJMJX-IFKAHUTRSA-N 459.502 3.481 5 1 JGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)nn2)c1 587269777 OVZMSDYQPAQITM-UHFFFAOYSA-N 467.614 3.372 5 1 JGBF Cc1ccc(-c2cc(CN(Cc3cccc([N+](=O)[O-])c3)[C@@H](Cc3c[nH]cn3)C(N)=O)no2)cc1 29558631 RTRNCNLPEIBEMG-QFIPXVFZSA-N 460.494 3.380 5 1 JGBF O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081859 ZCXNUDPBCWFMLD-UHFFFAOYSA-N 465.535 3.084 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1[C@@]1(C)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963706601 VWXNYLPBHDGVGT-DPZBCOQUSA-N 489.528 3.199 5 1 JGBF CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)CC1 96285707 GGBZPLIZQMVNJS-UHFFFAOYSA-N 478.600 3.305 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4c(F)cnc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263111 MBTLOYOKFJQLJL-UHFFFAOYSA-N 463.267 3.251 5 1 JGBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2c(N(C)C)cccc12 27554736 AQONBFMXHUIOEN-OAHLLOKOSA-N 457.508 3.478 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262475 AEMDHFSECQMNRR-UHFFFAOYSA-N 488.298 3.415 5 1 JGBF O=[N+]([O-])c1ccccc1CO[C@@H](c1cccc(I)c1)[C@H]1CNCCO1 28881257 UHXNRRQHOOUQNZ-MSOLQXFVSA-N 454.264 3.446 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767694 DLUBKKVMSHVWRR-GMAHTHKFSA-N 460.446 3.314 5 1 JGBF Cc1nc2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2cc1Br 587262958 JQGOOCFRKZWZPN-UHFFFAOYSA-N 459.304 3.420 5 1 JGBF CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608673 RSHULIUUCZAYAX-SIKLNZKXSA-N 455.444 3.202 5 1 JGBF O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OCc1ccccc1 2356359388 JTDLRDRYCXTYOX-NFWVVERESA-N 499.519 3.406 5 1 JGBF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053707 IEVVQJAWWXGPRE-POAQFYNOSA-N 456.886 3.125 5 1 JGBF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4205417 IEVDZZURPQDIBJ-JBYOLUDKSA-N 477.901 3.244 5 1 JGBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148233 FPPJZCQSFMWWDB-OXFYSEKESA-N 466.542 3.062 5 1 JGBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(I)cnc2[nH]1 587117357 IXSTXRAMVBBYSE-UHFFFAOYSA-N 452.134 3.043 5 1 JGBF COc1c(O)ccc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 963153511 WCMFFICQJUAFRQ-RISCZKNCSA-N 451.457 3.101 5 1 JGBF CCOc1cc(OCC)n2s/c(=N\C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2n1 28565201 SLGHGRUHUAYTME-XDOYNYLZSA-N 455.452 3.498 5 1 JGBF CC[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 587185872 YCSUFGUBZAZFBD-NSHDSACASA-N 456.200 3.488 5 1 JGBF CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1O 27872540 UOBKYFOKGVNRMN-JKSUJKDBSA-N 462.402 3.045 5 1 JGBF NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 13743214 QGKLVQRWDWTTFP-UHFFFAOYSA-N 465.554 3.475 5 1 JGBF C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1ncc(-c2ccc(Cl)s2)o1 95920597 AYOZEWNCAPQIAE-ZQEOTTOMSA-N 464.011 3.273 5 1 JGBF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 587388366 AAROYFLHARNOIS-HSZRJFAPSA-N 477.385 3.258 5 1 JGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169726945 QUSGBELKKOHECA-UXHICEINSA-N 454.483 3.435 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 587273632 JLSAESDVFZZAJI-ZDUSSCGKSA-N 456.484 3.281 5 1 JGBF COC(=O)C(F)(F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587618474 RLGXYZZQMRFNFL-UHFFFAOYSA-N 469.422 3.459 5 1 JGBF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586953618 WQEOTUHACNYBQM-KRWDZBQOSA-N 493.517 3.463 5 1 JGBF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4041564 WPHVSNGLFUKSIZ-UNMCSNQZSA-N 454.483 3.398 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2)c2ccccc12 73220125 UBAIZJLQVHNVDM-QFIPXVFZSA-N 477.477 3.493 5 1 JGBF C[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](O)[C@@H]1O 142497331 WVOXAIREMQIZLC-DEPGYJDFSA-N 455.470 3.342 5 1 JGBF O=C(N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)O)OCc1ccccc1 587203379 OVDMCPXGQREKBA-CYBMUJFWSA-N 463.244 3.156 5 1 JGBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@H](N)[C@H]1O 2356531486 AARICDGIAQPTML-OBDWWTDPSA-N 456.502 3.374 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-] 169726936 XSINBHDVQQKQFI-VQTJNVASSA-N 454.483 3.436 5 1 JGBF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206652 RGYSOSIOZUFSRT-PKOBYXMFSA-N 468.293 3.119 5 1 JGBF CC[C@@](O)(C(=O)O[C@H]1CC[N@@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccccc3)[C@H]12)c1ccccc1 254093842 SPSDRMFMSHXJGD-UPUKVBQESA-N 495.572 3.064 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)cc1 587273135 IIPSUDBMLZZKLB-UHFFFAOYSA-N 456.484 3.110 5 1 JGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1 82082400 LGDDVAMLUAENQW-LJQANCHMSA-N 459.572 3.075 5 1 JGBF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586933403 NUHCZYVPLBCUCF-UHFFFAOYSA-N 497.464 3.354 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175698 MQPVARYKOKOKJV-NVGWVTIJSA-N 480.569 3.400 5 1 JGBF O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OCc1ccccc1 2356359387 JTDLRDRYCXTYOX-LTGLEFCMSA-N 499.519 3.406 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081146 ONNQMEDRBJOWGF-KRWDZBQOSA-N 465.535 3.469 5 1 JGBF CN(C)CCCN1C(=O)[C@@H](CCCN2CCN(c3ccccc3)CC2)C(=O)c2cc([N+](=O)[O-])ccc21 169319140 NFEGJHZUOISQRL-QHCPKHFHSA-N 493.608 3.294 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4054577 RUAZPCRASJZXKH-XOJPMGEXSA-N 490.944 3.424 5 1 JGBF Cc1c(Br)cnc2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc12 587263078 KOIOAOOCKYGLHY-UHFFFAOYSA-N 459.304 3.420 5 1 JGBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)(C)CO)cc1 774226 JTKAWHOGGFWOCM-UHFFFAOYSA-N 469.450 3.402 5 1 JGBF CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082697 KZLRRHHHLISDHJ-SFHVURJKSA-N 463.512 3.359 5 1 JGBF O=C(NCc1ccccc1Cl)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149869 DLTBBLKCMPKFBR-UHFFFAOYSA-N 453.886 3.472 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587748039 RXWSKOPPBBXANB-BIBXISHDSA-N 465.275 3.406 5 1 JGBF O=[N+]([O-])c1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1Cl 586957236 STXNSAAINUEPJY-UHFFFAOYSA-N 489.897 3.066 5 1 JGBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587109721 MOYXQMOJFPFAQR-UHFFFAOYSA-N 470.429 3.102 5 1 JGBF CCNc1nc(N2CC[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12 82119236 KZKPYYACIRCFKU-HNNXBMFYSA-N 480.525 3.304 5 1 JGBF CS(=O)(=O)c1cc(-c2nc3cc(I)cnc3[nH]2)cc([N+](=O)[O-])c1Cl 586925288 GLRZEBSXYSVNBS-UHFFFAOYSA-N 478.655 3.195 5 1 JGBF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 299820777 IMYBJLKJUZUZCD-WKWYISCVSA-N 463.574 3.030 5 1 JGBF CO[C@@H]1[C@H](OC(=O)NCC[C@H]2CCC[N+]2(C)C)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 45289415 QIGXZZSYTSYQSV-ZLDRXPSISA-O 451.628 3.418 5 1 JGBF Oc1nc(O)c(I)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587181915 HWQRRDMCIOHPOI-UHFFFAOYSA-N 456.203 3.132 5 1 JGBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c2)c1 587270305 VFDNTIODMKHNBZ-UHFFFAOYSA-N 465.491 3.221 5 1 JGBF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC 587943770 PBRVJORKDKFGCK-UHFFFAOYSA-N 489.250 3.042 5 1 JGBF CN(C)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+]3(C)CCOCC3)cc12 1772594346 WSNKEPLSYZJYFR-UHFFFAOYSA-N 463.602 3.396 5 1 JGBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1COC[C@@H]3S1(=O)=O 28762717 DUXIBKNLDGBHQC-IYBDPMFKSA-N 457.467 3.242 5 1 JGBF CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876619 UMWIQPJEKBTSCY-UHFFFAOYSA-N 484.473 3.186 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82214920 SNQMCIKCJFMGMT-UHFFFAOYSA-N 462.510 3.262 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4153596 CXEAJKOYPBRHDH-DGKCPRCZSA-N 499.520 3.337 5 1 JGBF C[C@@H](OC(=O)N1C(=O)N[C@@H]2[C@@H](CCCCC(=O)O)SC[C@@H]21)c1cc2c(cc1[N+](=O)[O-])OCO2 95920565 MVOCLTWEOIJKEV-JTWAPGJUSA-N 481.483 3.044 5 1 JGBF in-vitro O=C(O)Cn1cc(I)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587186393 VIPJNPVTYBAENL-UHFFFAOYSA-N 470.230 3.212 5 1 JGBF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 962632522 LHYIVNIPRSCYKH-OALUTQOASA-N 478.383 3.415 5 1 JGBF COc1ccc(OC)c(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-n2ccnc2)c1 1772588931 QDOIHJJQFIXWKZ-UHFFFAOYSA-N 462.470 3.174 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4208272 HVTHZEFDTOPYIM-CTNGQTDRSA-N 475.885 3.216 5 1 JGBF CC1=C[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)C(C(=O)O)=CN1Nc1cccc([N+](=O)[O-])c1 963216876 AQJVHFGVHATGLK-DHLKQENFSA-N 487.472 3.152 5 1 JGBF CC(=O)OC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 28706955 JXGGLGJNRVZXDH-OAHLLOKOSA-N 464.475 3.010 5 1 JGBF CCOC(=O)[C@H]1COC([C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc3ccccc23)=N1 29232940 SAGOLQJOHHFBJI-FCHUYYIVSA-N 461.474 3.450 5 1 JGBF CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)c2cc([N+](=O)[O-])ccc2O1 84710979 MGXNUMODXMGFAJ-CQSZACIVSA-N 464.887 3.180 5 1 JGBF CCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587272507 NCLLRAALGGYBDO-ROUUACIJSA-N 493.314 3.446 5 1 JGBF CN(C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148914 AZDJDBRUYLUSNG-KRWDZBQOSA-N 466.542 3.158 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944364 ATOXJQAXXAITQX-UHFFFAOYSA-N 499.484 3.145 5 1 JGBF O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 39183402 JDPWTWPGOXRLEZ-UHFFFAOYSA-N 477.498 3.294 5 1 JGBF COc1ccc2nccc([C@@H](O)CN3CCC(NCCOc4ccccc4[N+](=O)[O-])CC3)c2c1 45302718 KZJFLPITQIUVOD-DEOSSOPVSA-N 466.538 3.318 5 1 JGBF C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 13492788 PGKSTNVRTSJCJO-QFQXNSOFSA-N 497.615 3.159 5 1 JGBF CCn1c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c(=O)c2c(OC)cc(OC)cc21 45506372 YQRMDNKCHUBVOJ-UHFFFAOYSA-N 459.550 3.496 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] 586941196 QWNSOZLVUXNWED-UHFFFAOYSA-N 457.331 3.434 5 1 JGBF COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587179309 UTLMNGMMYJQIDM-UHFFFAOYSA-N 455.168 3.242 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390940 SOHSHBUATYYPMT-SWDVRCMSSA-N 472.494 3.168 5 1 JGBF N[C@@H](CCc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270501 KWCRFAIECLFKAV-NSHDSACASA-N 453.684 3.181 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)NCCc2cc(C)c(F)cc21 962089000 FJRWCSSLBIBUPM-OZWPHOJSSA-N 460.502 3.362 5 1 JGBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@@H]1O 2356531484 AARICDGIAQPTML-BBTQLPIJSA-N 456.502 3.374 5 1 JGBF O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081668 KZFMUSXQEBXUBN-LJQANCHMSA-N 493.545 3.047 5 1 JGBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCc1ccccc1)[C@@H](O)C[N+](=O)[O-] 82061094 JRTYGXLOVJBTMO-VJBWXMMDSA-N 471.554 3.083 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82136101 CEQAMUHVRDEGBZ-FQEVSTJZSA-N 488.548 3.416 5 1 JGBF COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 587271773 GYWQVTFYBHMZKF-SFTDATJTSA-N 492.444 3.083 5 1 JGBF CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccc(C)cc1 2496094 SZSMWRGDIKOBHK-PCNYTLQMSA-N 486.528 3.054 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC 4048939 OJDLLYSQCVKKTA-VWNXMTODSA-N 482.537 3.306 5 1 JGBF Cc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23C(=O)Nc2ccc(OC(F)(F)F)cc23)cc1 1857546864 BDPAWKZTFFSRBX-DYQZNNLLSA-N 487.438 3.408 5 1 JGBF C[C@](O)(CS(=O)(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857588019 YMWIOBJQAHQQRG-INIZCTEOSA-N 468.356 3.055 5 1 JGBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 29128154 FENTWVASICQGTR-KRWDZBQOSA-N 486.897 3.312 5 1 JGBF COc1cc(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)c(S(=O)(=O)N(C)C)cc1OC 103271919 ZNTYLFGZWVLRPC-UHFFFAOYSA-N 479.540 3.048 5 1 JGBF CCCc1c(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2C)ccc(C(C)=O)c1O 169338656 QCLWLXAQSIRVTK-AWEZNQCLSA-N 487.461 3.395 5 1 JGBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148230 FPPJZCQSFMWWDB-KNBMTAEXSA-N 466.542 3.062 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1 25248324 CIEUJIMBMJNLDF-UHFFFAOYSA-N 491.503 3.203 5 3 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 587262248 GTURBVFOWDBYPA-BVGQSLNGSA-N 472.523 3.033 5 1 JGBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426141 LRCBUVAEEAAMLW-VOIUYBSRSA-N 487.436 3.128 5 1 JGBF CC(C)(C)OC(=O)CN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857768375 QMNSYYXKSIUIFV-UHFFFAOYSA-N 470.482 3.133 5 1 JGBF CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 4049290 VHGDBESXFJQIQQ-GMAHTHKFSA-N 485.972 3.094 5 1 JGBF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 962632526 LHYIVNIPRSCYKH-RTBURBONSA-N 478.383 3.415 5 1 JGBF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4044517 QLESPUKGSJRUHT-LZYRLJCRSA-N 498.536 3.005 5 1 JGBF COCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82148032 QNMPQYTUQATNPT-UHFFFAOYSA-N 481.509 3.447 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4274906 XODADJJVJAXHID-HBGVWJBISA-N 474.514 3.122 5 1 JGBF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73315425 GPPMMNDQJWTARN-QGZVFWFLSA-N 475.376 3.484 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940825 HBXFZOMIUCAYAQ-UHFFFAOYSA-N 492.764 3.482 5 1 JGBF COc1cc(OC)c([C@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@H]2CO)cc1O 2356397359 BLALPIPICZQYJH-SIKLNZKXSA-N 482.441 3.257 5 1 JGBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)NC(=S)N=C2O)[C@H](c2ccc([N+](=O)[O-])cc2)C1 6041924 ZIJLUYIGIUHGDD-IRXDYDNUSA-N 468.447 3.091 5 1 JGBF COc1cc2c(cc1OC)CN(c1c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c1OC[C@@H]4C)CC2 29126976 BPKYEVLZIXJMJV-NSHDSACASA-N 499.451 3.280 5 1 JGBF CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 103186663 YVHMQJIKIZMMJX-FOOJEKODSA-N 480.480 3.314 5 1 JGBF CN(CCCCOc1cccc([N+](=O)[O-])c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 49016942 BJHATVOJVIMORR-JOCHJYFZSA-N 461.469 3.143 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82216879 MQPVARYKOKOKJV-LPNJYYIDSA-N 480.569 3.400 5 1 JGBF COC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587263885 HKOHFPFLGYRDJF-AYVTZFPOSA-N 494.258 3.462 5 1 JGBF O=C(O)c1nn(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1I 587186573 ZGIQMTIPYVEJPJ-UHFFFAOYSA-N 470.230 3.207 5 1 JGBF COc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1OC 1857540984 GWUORABDLLAJTP-HNNXBMFYSA-N 492.535 3.014 5 1 JGBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748755 WDVHXJGNMJGISQ-BIBXISHDSA-N 465.275 3.406 5 1 JGBF COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82085610 MABUTPVZIYNJHI-UHFFFAOYSA-N 470.507 3.124 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](OC(=O)[C@@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 299810344 SPSDRMFMSHXJGD-NSJWYPEYSA-N 495.572 3.064 5 1 JGBF O=C(O)Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O 13755549 WUBFLJPTAZVXAW-UHFFFAOYSA-N 484.312 3.169 5 1 JGBF CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82148527 GDKPNQHFQZQTON-UHFFFAOYSA-N 475.546 3.015 5 1 JGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(C(F)(F)F)cc3)cn1)C2 72123517 VASMUEACOAYCIL-HNNXBMFYSA-N 451.361 3.124 5 1 JGBF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586956579 OPMBSSNVYYROMV-UHFFFAOYSA-N 451.464 3.293 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135304 YCOPJDPPRSMFHZ-IEBWSBKVSA-N 480.569 3.371 5 1 JGBF CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081599 UGXPRMICVIJHDN-HNNXBMFYSA-N 475.523 3.457 5 1 JGBF O=C(O)COCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587563632 VVEQGMYICLWWLN-UHFFFAOYSA-N 460.398 3.446 5 1 JGBF O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 49031776 CJRNZRWIHYAESJ-TVFCKZIOSA-N 486.333 3.155 5 1 JGBF CCOC(=O)C1=C(COCCc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726939 VNACHEYFXCMOKS-FGZHOGPDSA-N 481.505 3.414 5 1 JGBF C[C@H](c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275318 BVIIPZNNAJPWTD-QGZVFWFLSA-N 488.552 3.277 5 1 JGBF CO[C@@H]1[C@H](OC(=O)NCC[C@@H]2CCC[N+]2(C)C)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 45289412 QIGXZZSYTSYQSV-YEPAKDKPSA-O 451.628 3.418 5 1 JGBF COc1cc2c(cc1OC)[C@]1(C(=O)Nc3cc(F)c([N+](=O)[O-])cc31)N(C(=O)c1ccccc1N)CC2 963158882 SSYQKSQSWIRQBA-VWLOTQADSA-N 492.463 3.228 5 1 JGBF COc1ccc([C@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@H]2CO)cc1O 2356676451 UAVLWISCGBKCAX-GHTZIAJQSA-N 452.415 3.248 5 1 JGBF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055194 NWSZNIQEFATDPQ-IEBWSBKVSA-N 468.293 3.119 5 1 JGBF CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H]1c1ccccc1 40602123 DQVRVXHDLWGNDQ-IBGZPJMESA-N 465.510 3.251 5 1 JGBF O=C(O)Cn1cc(I)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587185272 JQQQQSCZRYNSLW-UHFFFAOYSA-N 470.230 3.212 5 1 JGBF COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c32)cc1 40575789 OGXXYIBUCJNPFK-UHFFFAOYSA-N 489.531 3.156 5 1 JGBF O=C1CN(c2ccccc2)C(=O)[C@@H](Cc2c([C@H](O)c3ccccc3[N+](=O)[O-])[nH]c3ccccc23)N1 1857562067 CYKJCGHKSZONPS-PXDATVDWSA-N 470.485 3.232 5 1 JGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587265808 XLFZCFQYVKXEJY-GLEZIHRCSA-N 489.388 3.207 5 1 JGBF O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1857534516 SHWZWGYLAHSQBB-UHFFFAOYSA-N 475.914 3.335 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085084 UFJBZHVVUMXVLA-LJQANCHMSA-N 451.508 3.222 5 1 JGBF O=C(NS(=O)(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1857650172 ABKPJJNCMNNCMN-RTBURBONSA-N 457.489 3.260 5 1 JGBF COc1cc(-c2nn(-c3ccccc3)[n+](-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC(C)=O 29130336 GFWGHIPCRTUCEM-UHFFFAOYSA-N 462.442 3.062 5 1 JGBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 43013907 ZJOYILLQBHYBAT-UHFFFAOYSA-N 450.474 3.364 5 1 JGBF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081594 JGBLLVAVOGSYQY-OAHLLOKOSA-N 460.556 3.454 5 1 JGBF CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 1772638289 OHWIDPJDVVQTNL-UHFFFAOYSA-N 456.524 3.106 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575043 HUSAODOBTWQJCH-YKSBVNFPSA-N 463.398 3.290 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081264 YZXKMLZOPJQQOF-INIZCTEOSA-N 465.535 3.469 5 1 JGBF O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103284764 PYGWSISVXBJPKO-UHFFFAOYSA-N 497.920 3.230 5 1 JGBF COCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1 82136142 IZJIQEHFQAXBFY-UHFFFAOYSA-N 451.483 3.091 5 1 JGBF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4050932 MMTYACMODRMLNU-WYRQLCSISA-N 489.484 3.135 5 1 JGBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 963142658 KUKKTVCYVYJGRI-GXTWGEPZSA-N 450.429 3.295 5 1 JGBF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 40422174 SWAFAHTWHTUDKB-BJKOFHAPSA-N 484.597 3.209 5 1 JGBF O=C(O)C[C@@H](NC(=O)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)cc([N+](=O)[O-])c1)c1ccccc1 36269320 JCOVTLVBRHTAIH-HSZRJFAPSA-N 488.500 3.439 5 1 JGBF COC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O 40846593 OZETXMFIGMWBRN-CYBMUJFWSA-N 482.496 3.333 5 1 JGBF Cc1nn(Cn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)c1[N+](=O)[O-] 587662036 WQYLJKUKTFSTBT-UHFFFAOYSA-N 487.451 3.315 5 1 JGBF O=C(NCCc1cccc(F)c1)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149781 PHRXSEUBYMEUOY-UHFFFAOYSA-N 451.458 3.000 5 1 JGBF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82216881 MQPVARYKOKOKJV-ITNCUTESSA-N 480.569 3.400 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] 586941127 OCVDOEMNEUEARW-UHFFFAOYSA-N 473.330 3.140 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215461 WXHYJWMCTPUXEU-PBNUPURSSA-N 490.557 3.363 5 1 JGBF CC1(C)C=Cc2cc([C@@H](O)c3cn(CCNc4ccc([N+](=O)[O-])c5nonc45)nn3)ccc2O1 72184202 ZTXJYWOQBHXTAA-OAQYLSRUSA-N 463.454 3.101 5 1 JGBF CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@H](c4ccc([N+](=O)[O-])cc4)O3)cc2s1 653793019 VZSLWWYBELFKLZ-IBGZPJMESA-N 455.452 3.433 5 1 JGBF CC1=C[C@@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)C(C(=O)O)=CN1Nc1cccc([N+](=O)[O-])c1 963216884 AQJVHFGVHATGLK-RDGATRHJSA-N 487.472 3.152 5 1 JGBF COc1cccc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)c1O 2356726653 QSJCSEZWTTXFSZ-LAUBAEHRSA-N 452.415 3.248 5 1 JGBF CN(CCCCOc1cccc([N+](=O)[O-])c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 49016946 BJHATVOJVIMORR-QFIPXVFZSA-N 461.469 3.143 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587668052 XHYPPOIRELTCLN-UHFFFAOYSA-N 476.493 3.254 5 1 JGBF CN(Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)CC1 73199014 HAONTRLMWNURBT-KRWDZBQOSA-N 499.446 3.184 5 1 JGBF C[C@@H]1O[C@H]2C[C@@](O)([C@@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 2356703638 NEPZGORZKOUWMU-QYEKRERGSA-N 455.470 3.178 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152982 PJBIFAIKHAMEKV-IXPCADFXSA-N 497.504 3.234 5 1 JGBF CC(=O)O[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 40899516 SQXGPTNWEHLMMD-BJKOFHAPSA-N 475.501 3.184 5 1 JGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 772197 HVTHZEFDTOPYIM-PZJWPPBQSA-N 475.885 3.216 5 1 JGBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)NC(=S)N=C2O)[C@H](c2cccc([N+](=O)[O-])c2)C1 6041915 ORAYFHLNUXYVFL-IRXDYDNUSA-N 468.447 3.091 5 1 JGBF COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC 82083035 ILHOKJXVZUYFGX-CYBMUJFWSA-N 470.507 3.170 5 1 JGBF CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 587116941 FPSPUTJOZXUFKR-UHFFFAOYSA-N 460.438 3.074 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 587667511 MYKQLUVNHCXDSK-UHFFFAOYSA-N 476.493 3.451 5 1 JGBF Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)cc3nc21 1493523 YYHFVZLNDMSUBV-UHFFFAOYSA-N 450.445 3.390 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215463 WXHYJWMCTPUXEU-FNVCAUGXSA-N 490.557 3.363 5 1 JGBF COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc(OC)c1O 13381002 FWFYBSKGLJPMRL-PGRDOPGGSA-N 482.441 3.257 5 1 JGBF biogenic O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 34444581 YAYKUINUDPHATJ-UHFFFAOYSA-N 499.877 3.461 5 1 JGBF CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082696 KZLRRHHHLISDHJ-GOSISDBHSA-N 463.512 3.359 5 1 JGBF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(N)c(C(=O)O)cc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587432213 ILPLNHUDKUWKMU-ODCWNRFASA-N 472.409 3.119 5 1 JGBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 963216714 AGIZNHIABFUJTH-ISKFKSNPSA-N 462.506 3.040 5 1 JGBF O=C(N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1 1857753270 HRFRHSZPGYZGEV-UHFFFAOYSA-N 464.448 3.073 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205279 DBZKJMZJYFFOIO-SIJSFFJVSA-N 474.901 3.135 5 1 JGBF O=C(O)C(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 27521448 ZKKQCCSHBYRQHR-NRFANRHFSA-N 484.461 3.170 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](NC=O)[C@H]1O 2356796692 NLFKVOZMPKQXBD-FOBSRGEUSA-N 482.496 3.096 5 1 JGBF CCCCC/C=C/[C@@H](O)[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC 29413036 XVUOEYGVFVFEDQ-FGXJKGHSSA-O 451.565 3.389 5 1 JGBF in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4ccc([N+](=O)[O-])o4)[C@@H](C)C3)c(F)c21 169302461 HSSBYGCSVOTADM-LBPRGKRZSA-N 476.436 3.210 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O 587576272 NWPAYHPKRJPRQO-CVDCTZTESA-N 467.386 3.475 5 1 JGBF CC(=O)N1CCN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149069 AXUYWJOVOPAAPN-UHFFFAOYSA-N 466.542 3.348 5 1 JGBF CCOC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C 169689681 JYZLPVPMDCADRR-HOTGVXAUSA-N 483.458 3.286 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 586940898 JQEDYECQQSKOGZ-UHFFFAOYSA-N 457.877 3.233 5 1 JGBF O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 26674852 LGOPTXVXIAQSOD-PMACEKPBSA-N 474.520 3.351 5 1 JGBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccc([N+](=O)[O-])cc4F)CC3)cc21 96921846 YQSHXMFQEXUAPQ-UHFFFAOYSA-N 458.421 3.233 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587262947 IJZXTGLXDZPPPK-KBMXLJTQSA-N 472.523 3.033 5 1 JGBF CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608671 RSHULIUUCZAYAX-DENIHFKCSA-N 455.444 3.202 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054573 ZJWDBHSROYPIDG-RHZWSATBSA-N 474.901 3.135 5 1 JGBF COc1cc(-c2nnc(COC[C@@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)o2)cc(OC)c1OC 45288646 CZTNKRKJIHJMTG-INIZCTEOSA-N 470.438 3.380 5 1 JGBF O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081331 GNMAZMJMNSWOHO-GOSISDBHSA-N 471.583 3.173 5 1 JGBF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586943491 BFXGJWZXHSMLDO-UHFFFAOYSA-N 495.920 3.221 5 1 JGBF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4041567 WPHVSNGLFUKSIZ-IRLDBZIGSA-N 454.483 3.398 5 1 JGBF Nc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(O)n1 587253744 OLTNPDFAPFKMOD-UHFFFAOYSA-N 481.424 3.590 5 1 JGBF Cc1cccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)O)c(O)nc4cc3[N+](=O)[O-])cn2)c1 13553646 QQGJPYIUYXVSBM-UHFFFAOYSA-N 464.394 3.185 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)n2nc(C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 1772583914 UXQXJBPUNVVDMV-FQEVSTJZSA-N 455.471 3.042 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](NC=O)[C@@H]1O 2356796690 NLFKVOZMPKQXBD-CRSJQXIWSA-N 482.496 3.096 5 1 JGBF CS(=O)(=O)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc([N+](=O)[O-])c1Cl 586924562 BYRXSRJKGBMRSL-UHFFFAOYSA-N 474.886 3.254 5 1 JGBF COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(OC)cc(O)cc5oc4c3O[C@@H]2CO)ccc1O 13381001 WPQPZXDSZHOTDQ-KNQAVFIVSA-N 482.441 3.257 5 1 JGBF biogenic COc1ccc(S(=O)(=O)N[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](C)O)cc1 586936153 NUJMZPHKCLGQBT-UGSOOPFHSA-N 463.519 3.068 5 1 JGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587265804 XLFZCFQYVKXEJY-AYVTZFPOSA-N 489.388 3.207 5 1 JGBF Cc1ccc(CNC(=O)[C@@]23CN(Cc4ccccc4)C[C@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)o1 263592174 MRBINCMUBDCBPR-WIOPSUGQSA-N 460.490 3.418 5 3 JGBF C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 13492789 PGKSTNVRTSJCJO-LVXARBLLSA-N 497.615 3.159 5 1 JGBF O=C1NC(=O)C(CSCc2ccc([N+](=O)[O-])cc2)(CSCc2ccc([N+](=O)[O-])cc2)N1 27181267 FGSYJGZLKDLUQA-UHFFFAOYSA-N 462.509 3.248 5 1 JGBF C=C(NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)OCC 28102168 SGTOEQGRIUVVPV-QFIPXVFZSA-N 461.474 3.282 5 1 JGBF CCOC(=O)[C@H]1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)CS1(=O)=O)C(=O)NC4=O 28762446 UYHCMCQUZNDMRW-DEOSSOPVSA-N 487.493 3.234 5 1 JGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850417 PZFSCKLGFWMLMW-ADLMAVQZSA-N 457.321 3.319 5 1 JGBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040647 BCHVLUHHMDZIJY-OTPBECDQSA-N 473.961 3.472 5 1 JGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 772357 GYOKSEZRVGZXFR-QUCCMNQESA-N 475.885 3.203 5 1 JGBF CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82136124 KCXOPAJPFOBPCK-UHFFFAOYSA-N 482.928 3.226 5 1 JGBF Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1 215411325 OIOOKLQHEDGJOE-UHFFFAOYSA-N 450.380 3.285 5 1 JGBF COc1c(O)ccc2c1O[C@H](CO)[C@@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1OC 13461124 XRLQCBJHPDWSIJ-UYAOXDASSA-N 452.415 3.248 5 1 JGBF biogenic CN(C)CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080971 TZOGBWUCBCDEGD-IBGZPJMESA-N 468.535 3.164 5 1 JGBF CC1=C[C@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)C(C(=O)O)=CN1Nc1cccc([N+](=O)[O-])c1 963216881 AQJVHFGVHATGLK-RCZVLFRGSA-N 487.472 3.152 5 1 JGBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NC[C@H]3CCCO3)c2cc1OC 82119607 KRPQSNLOUYQNOS-LJQANCHMSA-N 494.552 3.473 5 1 JGBF O=[N+]([O-])c1ccc(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 13823494 MPUZMWHQBSJEPZ-UHFFFAOYSA-N 452.536 3.469 5 1 JGBF O=C(COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82157190 HAFQJHZAICFHNQ-HNNXBMFYSA-N 478.383 3.313 5 1 JGBF CSCC[C@H](NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2c[nH]cn2)c1)C(=O)O 3919282 SMFRBSRYCWADEI-QFIPXVFZSA-N 497.577 3.456 5 1 JGBF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053712 IEVVQJAWWXGPRE-KPFFTGBYSA-N 456.886 3.125 5 1 JGBF CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 587553879 HUMZMEWIMZVSKI-UHFFFAOYSA-N 468.470 3.068 5 1 JGBF CCCc1c(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)ccc(C(C)=O)c1O 141526231 RJYMDCQMKZNDHB-CYBMUJFWSA-N 473.434 3.086 5 1 JGBF N=C(N)c1ccc2nc(-c3cc([C@@H](CC(=O)O)C(=O)O)cc(-c4ccccc4[N+](=O)[O-])c3O)[nH]c2c1 14955449 PFMNUTNXLWAKMB-CQSZACIVSA-N 489.444 3.438 5 1 JGBF COc1c(O)ccc2c1O[C@H](CO)[C@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1OC 13461128 XRLQCBJHPDWSIJ-QUCCMNQESA-N 452.415 3.248 5 1 JGBF biogenic O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101520934 JHJNVTSDQNNSQN-PCCBWWKXSA-N 459.414 3.344 5 1 JGBF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774092 PJBLOAYUBZPTJG-CQSZACIVSA-N 471.466 3.443 5 1 JGBF COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 1749693 PPVDEZJBVQHRRC-HOTGVXAUSA-N 483.458 3.204 5 1 JGBF COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2n1 28817533 GSXQJIMQFOJZLW-KRWDZBQOSA-N 458.478 3.328 5 1 JGBF CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 96905719 CDFMYMZCIVELAF-GFCCVEGCSA-N 489.454 3.397 5 1 JGBF CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)CC2=O 587490061 WHLPBIBECQYTDQ-UHFFFAOYSA-N 460.508 3.442 5 1 JGBF CSCC[C@H](N)C(=O)Oc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1 1857584024 XXIFPKPQRIUQEQ-PCCBWWKXSA-N 470.551 3.090 5 1 JGBF O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774918 WTBXSRPIAHJCFW-NSHDSACASA-N 452.250 3.307 5 1 JGBF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040774 KVUASNLDNICEQQ-BSIFCXSSSA-N 460.918 3.293 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2cnc3ccc(Br)cn23)n1 28640936 CMLMXOJSDNPNLS-UHFFFAOYSA-N 462.285 3.414 5 1 JGBF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O 40401777 JKDVURLMKJBJII-UHFFFAOYSA-N 469.425 3.080 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] 586941478 UFTFXJXKGZJLCE-UHFFFAOYSA-N 492.764 3.482 5 1 JGBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCN3CCCC3)[nH]c3ccc([N+](=O)[O-])cc23)c1 71318434 PFRJQTJGGPDBBL-UHFFFAOYSA-N 470.551 3.351 5 1 JGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 768884 KIKDZZRMWWWGBX-QUCCMNQESA-N 475.885 3.203 5 1 JGBF CC(C)(C)OC(=O)N1C(=O)[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857588556 NGMTZBIXUBWMOA-INIZCTEOSA-N 461.496 3.137 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])nc3C)c(=O)c3ccccc23)c(O)c1 587667678 PMNHJSRHVCGABA-UHFFFAOYSA-N 476.493 3.369 5 1 JGBF CCCc1c(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)ccc(C(C)=O)c1O 141526046 RJYMDCQMKZNDHB-ZDUSSCGKSA-N 473.434 3.086 5 1 JGBF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1 586956467 BDRWVTAUMRIQBO-UHFFFAOYSA-N 486.557 3.179 5 1 JGBF COc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657528 ZEQLEDLGLXMOSM-LLVKDONJSA-N 455.377 3.356 5 1 JGBF CN(C)CCCN1C(=O)[C@H](CCCN2CCN(c3ccccc3)CC2)C(=O)c2cc([N+](=O)[O-])ccc21 169319139 NFEGJHZUOISQRL-HSZRJFAPSA-N 493.608 3.294 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169726916 XFHQCFSZOLAQEE-WOJBJXKFSA-N 454.483 3.436 5 1 JGBF COc1cc2ncnc(N3CCN(C(=S)Nc4cccc([N+](=O)[O-])c4)CC3)c2cc1OC 13474807 PXEYYEVRVVHFMR-UHFFFAOYSA-N 454.512 3.074 5 1 JGBF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206655 RGYSOSIOZUFSRT-HKUYNNGSSA-N 468.293 3.119 5 1 JGBF O=C(CCCn1c(=O)c2sc3ncccc3c2n2nnc(-c3ccccc3)c12)NCCc1c[nH]cn1 95602968 INNJIRRYLZNTPT-UHFFFAOYSA-N 498.572 3.183 5 1 JGBF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207092 KGTVAEYIZRTZME-UYAOXDASSA-N 461.858 3.221 5 1 JGBF Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCCc5ccccn5)cc4c(=O)c3c2)cn1 95584321 RQXMBHDGMZSFOM-UHFFFAOYSA-N 485.569 3.206 5 1 JGBF CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084843 LLLMLAQIKPHOJW-UHFFFAOYSA-N 461.588 3.467 5 1 JGBF CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccc(Br)cc12 473159861 XXXDTJIQSOTZCA-VIPLHTEESA-N 461.268 3.090 5 1 JGBF COc1cc([C@@H]2Oc3c(O)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc(OC)c1O 14718234 UCBWYFQQXLZEPP-NQIIRXRSSA-N 452.415 3.248 5 1 JGBF biogenic COCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82148063 KCBPBHAADYCSNI-UHFFFAOYSA-N 465.510 3.481 5 1 JGBF C[C@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 40791296 IGAVOCQXAVBMFG-BBRMVZONSA-N 482.468 3.194 5 1 JGBF COc1cc2oc3c(S(=O)(=O)N4CCCCC4)c(OC)cc(OC)c3c(=O)c2cc1OC 49784733 VDPDBOXWUANYIP-UHFFFAOYSA-N 463.508 3.155 5 1 JGBF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135775 RWQGEUCLLLBIEP-KRWDZBQOSA-N 494.939 3.337 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215457 CNJZQVMSPBDRGN-ARBPTSGCSA-N 474.514 3.074 5 1 JGBF COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 72173232 AJUJJQYPOFVICO-UHFFFAOYSA-N 466.538 3.048 5 1 JGBF CN(C)CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081080 BWQSKPVTTRHTID-SFHVURJKSA-N 468.535 3.164 5 1 JGBF CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081497 HBBYFSDFDXSMEJ-INIZCTEOSA-N 475.523 3.457 5 1 JGBF NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084616 OZZRRNSOYIKMCT-SFHVURJKSA-N 486.575 3.252 5 1 JGBF COCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148149 RXNOBEOLTGELRC-UHFFFAOYSA-N 465.510 3.481 5 1 JGBF COc1ccccc1N1CCN(CCN2C(=O)c3cc([N+](=O)[O-])ccc3[C@@]2(O)c2ccccc2)CC1 13776810 WTGGHNJPPRILSN-MHZLTWQESA-N 488.544 3.075 5 1 JGBF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586940382 OJKNATHUOLVDQO-KRWDZBQOSA-N 477.930 3.075 5 1 JGBF O=C(N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)O)OCc1ccccc1 587203495 QWIKYXKZUXFWBY-ZDUSSCGKSA-N 463.244 3.156 5 1 JGBF CC1(C)CC(=O)c2c(O)ccc3c2N1C(=O)[C@@]31C[C@]2([N+](=O)[O-])CN3CCC[C@@H]3C[C@@H]2C1(C)C 2356829034 BODXCOIFDQVMAL-NEZHYWAYSA-N 453.539 3.271 5 1 JGBF CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)cc1OCC 587670428 YKDKFZLGGRUEMT-UHFFFAOYSA-N 493.476 3.315 5 1 JGBF CC(=O)NC1=NN(C(C)=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)S1 1772585288 RYXOFWLXQLIRLX-HXUWFJFHSA-N 450.480 3.449 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cc(C(=O)O)c(N)c21 587388986 IMUHBLOBZPCEIC-XMMPIXPASA-N 459.414 3.219 5 1 JGBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434167 RUEZPFLSJGVCJG-RHQCIEAASA-N 485.489 3.068 5 1 JGBF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4nc5c([N+](=O)[O-])cccc5[nH]4)CC3)c2c1 45321861 UXOTUGSCTQPLMV-QHCPKHFHSA-N 476.537 3.316 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@@H]2C=CC=C[C@H]21 195488604 ZPJRZGXHUHSGBE-CASVQKDBSA-N 464.405 3.024 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 587868701 PBONKWLANBEBQL-UHFFFAOYSA-N 473.371 3.209 5 1 JGBF CSc1ccc(S(=O)(=O)NCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 586941651 UOLDCPNMLHLKFX-UHFFFAOYSA-N 450.395 3.228 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263583 VMYXPSZESFWZRZ-UHFFFAOYSA-N 497.455 3.248 5 1 JGBF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 82134766 OXSQMRWOFZVNSH-UHFFFAOYSA-N 451.458 3.318 5 1 JGBF Cc1ccc(Oc2ccc([C@@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)cc2[N+](=O)[O-])cc1 963220154 MIGSYQBSQXRTOI-GREBRCKQSA-N 473.489 3.266 5 1 JGBF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081605 DNQRKOCKNYEXKP-CVEARBPZSA-N 458.540 3.208 5 1 JGBF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055197 NWSZNIQEFATDPQ-HKUYNNGSSA-N 468.293 3.119 5 1 JGBF O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 13862668 WPEODRYHIIBRHR-FCHUYYIVSA-N 480.498 3.210 5 1 JGBF N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587185788 NXDRAZMJBVIEMI-SNVBAGLBSA-N 453.196 3.226 5 1 JGBF CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(COC(C)=O)c12 169343018 QUSZNCBZYSKWMF-UHFFFAOYSA-N 474.466 3.174 5 1 JGBF O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587001669 FPIMRCZOSJROAR-UHFFFAOYSA-N 462.216 3.110 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H]3O)ccc(O)c12 1582702 BJPYMDSMDBCKEP-HCFDHQIVSA-N 496.512 3.063 5 1 JGBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 29128155 FENTWVASICQGTR-QGZVFWFLSA-N 486.897 3.312 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578712 XAZWEIKHGJABFY-HYBUGGRVSA-N 463.398 3.290 5 1 JGBF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2n1 586949158 RXLFAVLCOHBHOE-UHFFFAOYSA-N 467.463 3.429 5 1 JGBF Cc1c(Br)cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587263919 HZGVEFGDYJXNNO-RTHLEPHNSA-N 451.237 3.379 5 1 JGBF COc1c(O)ccc2c1O[C@@H](CO)[C@H]2Oc1ccc2c(=O)oc3cc(O)ccc3c2c1OC 13461130 XRLQCBJHPDWSIJ-ICSRJNTNSA-N 452.415 3.248 5 1 JGBF biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 29128213 AMYAQFJWBNTCIJ-QGZVFWFLSA-N 486.897 3.312 5 1 JGBF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4045473 USJWWWWNLWJGCP-LXBDKUERSA-N 499.955 3.143 5 1 JGBF Nc1ccc(-c2cc3c(cc2F)ncc2ncc(=O)n(C4CCN(C(=O)C5CC5)CC4)c23)cn1 1772601664 PVOSSALWJRUGOQ-UHFFFAOYSA-N 458.497 3.302 5 1 JGBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)[C@@H](O)C[N+](=O)[O-] 82061092 JRTYGXLOVJBTMO-VABKMULXSA-N 471.554 3.083 5 1 JGBF COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1[N+](=O)[O-])CCCN2 25999656 PGSNGOGCWPCEDH-IBGZPJMESA-N 485.541 3.227 5 1 JGBF Cc1onc(-c2nc3ncc(I)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587081053 ZWAQYFVMCCIKTO-UHFFFAOYSA-N 485.629 3.332 5 1 JGBF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c([N+](=O)[O-])c2)C1 252156323 PEKZKGGOKMXVCT-MLYOOKFZSA-N 450.539 3.498 5 3 JGBF COCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82136140 KMRWLNCQTAHOPY-UHFFFAOYSA-N 451.483 3.091 5 1 JGBF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049141 KIBKQSPWKZWKGJ-FYYLOGMGSA-N 470.526 3.162 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4205291 JFNREEWTBONDSB-NJDIQBRYSA-N 490.944 3.424 5 1 JGBF Cc1onc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079223 IDPQLIDTGUGFTP-UHFFFAOYSA-N 457.878 3.165 5 1 JGBF O=C(c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1 1857630914 CFHAIDVIFSBRAM-UHFFFAOYSA-N 457.372 3.124 5 1 JGBF CC(=O)Nc1nc2ccc(OCC3=NN(C(C)=O)[C@@H](c4ccc([N+](=O)[O-])cc4)O3)cc2s1 653793020 VZSLWWYBELFKLZ-LJQANCHMSA-N 455.452 3.433 5 1 JGBF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055196 NWSZNIQEFATDPQ-PKOBYXMFSA-N 468.293 3.119 5 1 JGBF C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 299819705 DUCKJOVLAAEGNV-QGZVFWFLSA-N 474.392 3.015 5 1 JGBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1Br 64516344 RXGRQNKHEFGNEM-GOSISDBHSA-N 476.312 3.012 5 1 JGBF CC(=O)c1ccc(N(Cc2cn(-c3ccc(O)c([N+](=O)[O-])c3)nn2)S(=O)(=O)c2ccccc2)cc1 1772648038 AUAGKSDPQYVBCF-UHFFFAOYSA-N 493.501 3.479 5 1 JGBF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 101473587 PEKZKGGOKMXVCT-DMUMMCEESA-N 450.539 3.498 5 1 JGBF N[C@@H](CCc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270560 NMHYHTZRLZUJOX-NSHDSACASA-N 453.684 3.181 5 1 JGBF CC(=O)CC(=O)N1C(=O)N(C)[C@@]2(C)Oc3ccccc3[C@@H]1[C@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 100262732 PHTSKHODGOZHMZ-JLGINSKQSA-N 481.461 3.091 5 1 JGBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587119169 ZSFCDDSFLWVXHY-UHFFFAOYSA-N 457.312 3.337 5 1 JGBF OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 299820770 IMYBJLKJUZUZCD-KBJUPQRZSA-N 463.574 3.030 5 1 JGBF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135776 RWQGEUCLLLBIEP-QGZVFWFLSA-N 494.939 3.337 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)n2nc(C)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1772583915 UXQXJBPUNVVDMV-HXUWFJFHSA-N 455.471 3.042 5 1 JGBF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccn4c(=O)c5ccccc5nc34)cc2)no1 1620847 PNMUUBGBJAWRAS-UHFFFAOYSA-N 475.486 3.197 5 1 JGBF CCOC(=O)c1cc(Br)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587271020 XBPNODNZKJOGKA-HNNXBMFYSA-N 490.314 3.309 5 1 JGBF O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857643153 YPJBTZIMSODGOV-FTDQSSOUSA-N 468.413 3.459 5 1 JGBF COC(=O)[C@]1(O)C[C@@H]2O[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 29056314 LXOIGFZMICTNAL-NLRIEGLYSA-N 453.454 3.481 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](NC=O)[C@@H]1O 2356800243 PWDMDSRARYDKBY-YEHQHZQQSA-N 468.513 3.455 5 1 JGBF CCCc1c(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)ccc(C(=O)CC)c1O 169338651 WQCLBYRRQMSWGP-CYBMUJFWSA-N 487.461 3.476 5 1 JGBF CN1CCN(CCCCCc2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)CC1 1772633318 SFAAXZRYCCMBGD-UHFFFAOYSA-N 450.521 3.139 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215465 WXHYJWMCTPUXEU-IRBZQWRBSA-N 490.557 3.363 5 1 JGBF COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956938 LCPNDGHTVJVAOL-UHFFFAOYSA-N 489.557 3.280 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCOC 4152913 XJNKDVVZNDOOLN-JTHBVZDNSA-N 487.509 3.255 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4205287 JFNREEWTBONDSB-JYYJXNPCSA-N 490.944 3.424 5 1 JGBF O=c1oc2cc(OCCN3CCN(Cc4ccc(Cl)cc4)CC3)ccc2c(O)c1[N+](=O)[O-] 29238116 IUNOGVIXKGNTSQ-UHFFFAOYSA-N 459.886 3.257 5 1 JGBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(I)cnc3[nH]2)CC1 587268856 CACUTFRIPLTWCQ-UHFFFAOYSA-N 477.262 3.491 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207175 UZMAMQLFEBNRQX-ITKSXJDCSA-N 487.896 3.488 5 1 JGBF CN1CCN(CCNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2)CC1 96938555 PLFBPXKNNOINQK-UHFFFAOYSA-N 454.962 3.438 5 1 JGBF O=C1[C@@H]2[C@@H](C=C[C@H]([C@H](O)c3ccccc3)N2Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 1857620069 FHKPYEUWVNNZBC-JLLPCOHGSA-N 470.485 3.454 5 1 JGBF CC1(C)N=C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N=C(N)N1OCc1cccc2ccccc12 45168488 BKJGHMQBAKEBRH-UHFFFAOYSA-N 491.464 3.240 5 1 JGBF O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3cccs3)n[nH]c2c1=O)c1cccnc1 49033038 YLFXXYZJJJGSQC-UHFFFAOYSA-N 459.447 3.202 5 1 JGBF O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NC1CCN(Cc2ccccc2)CC1 82084893 JNPYUNBHTTZXRH-UHFFFAOYSA-N 479.562 3.229 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnn3C)c(OC)c2c1 587621130 OZQBYIZEQKNOCL-UHFFFAOYSA-N 457.468 3.295 5 1 JGBF COc1cc(OC)c([C@@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@@H]2CO)cc1O 2356397358 BLALPIPICZQYJH-KNQAVFIVSA-N 482.441 3.257 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](n3cnc4c(Cl)ncnc43)OCc3ccccc32)cc1 29129045 YBERYZKHNGKANN-QGZVFWFLSA-N 486.897 3.312 5 1 JGBF CCO/C(O)=C1\C(COCCn2ccnc2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 27711864 AJMAYWHGRNRLSV-SSRRSSPNSA-N 470.482 3.299 5 1 JGBF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774082 QOIMQNLRWGBDMB-ZDUSSCGKSA-N 455.423 3.155 5 1 JGBF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134718 ZOORWQHAGYHPBG-SFHVURJKSA-N 466.542 3.064 5 1 JGBF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccc([N+](=O)[O-])c21 101037728 FIXMWGQKTQLMQR-UHFFFAOYSA-N 456.480 3.222 5 1 JGBF COc1ccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)cc1 103288272 GOWGFCDLWHABNW-UHFFFAOYSA-N 482.949 3.331 5 1 JGBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586928146 YHJTWLAWARJRSG-UHFFFAOYSA-N 486.959 3.226 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1 4212502 XUOJCNYSVJASFG-DHIUTWEWSA-N 492.573 3.074 5 1 JGBF CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] 95593994 NERAQZALGSPGCV-SASYTRDLSA-N 483.565 3.183 5 1 JGBF O=C(O)c1cn2c(n1)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)c1sc4ccccc4n13)CC2 102208958 IVVMEKGALXAEHR-UHFFFAOYSA-N 478.461 3.420 5 1 JGBF COc1cc2c(cc1OC)[C@@]1(C(=O)Nc3cc(F)c([N+](=O)[O-])cc31)N(C(=O)c1ccccc1N)CC2 963158872 SSYQKSQSWIRQBA-RUZDIDTESA-N 492.463 3.228 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(Cl)ncnc21)C(Cl)(Cl)Cl 1857607999 VXXPWAKIMCNAHN-GFCCVEGCSA-N 498.114 3.188 5 1 JGBF COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC 82083034 ILHOKJXVZUYFGX-ZDUSSCGKSA-N 470.507 3.170 5 1 JGBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccc(O)cc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 238771462 YTWGHAVFFCUVLQ-WJBQUDSLSA-O 464.586 3.021 5 1 JGBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)NCCC(=O)O)ccc3n(C)c12 26281936 NELUKXUBXBNSTA-UHFFFAOYSA-N 491.548 3.043 5 1 JGBF COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 29391534 HPZXFJLEWNDGNJ-LJQANCHMSA-N 453.539 3.411 5 1 JGBF C[C@]12O[C@H](C[C@H](O)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 142497109 GWILJQBMYLXBHZ-RMRFZGCXSA-N 453.454 3.113 5 1 JGBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1O[C@H]3C[C@@]1(O)C(=O)O 29336100 YOBMSPBCYIKVNB-NRSLUSSRSA-N 453.410 3.033 5 1 JGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccccc1N 82081914 PXTPOORXGGGTBZ-IBGZPJMESA-N 453.524 3.371 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 586920463 RPWBJQTZOPMZKM-UHFFFAOYSA-N 478.655 3.098 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC 4152909 XJNKDVVZNDOOLN-FYYLOGMGSA-N 487.509 3.255 5 1 JGBF CN(C)CCN1C(=O)c2cccc3cc(NCc4cc5c(cc4[N+](=O)[O-])OCO5)cc(c23)C1=O 28712276 AJLUYQHMXVXUFY-UHFFFAOYSA-N 462.462 3.246 5 1 JGBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](OC(=O)[C@](O)(CC)c3ccccc3)[C@@H]12)c1ccccc1 29322716 SPSDRMFMSHXJGD-RBQWRIFJSA-N 495.572 3.064 5 1 JGBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135306 YCOPJDPPRSMFHZ-MJGOQNOKSA-N 480.569 3.371 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 82136097 MDHWMZICWYPRMH-UHFFFAOYSA-N 488.548 3.383 5 1 JGBF C[C@H]1O[C@H]2C[C@@](O)([C@@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 2356703636 NEPZGORZKOUWMU-PGNFZJMPSA-N 455.470 3.178 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587667689 QCFLQLWAWLOFAS-UHFFFAOYSA-N 476.493 3.428 5 1 JGBF COc1cc(OC)c([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O 13381011 MOHMOMXDPCQWAD-UGKGYDQZSA-N 482.441 3.257 5 1 JGBF biogenic O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccccc2C(F)(F)F)CC1 40949551 DLSHZTPFENINFK-UHFFFAOYSA-N 464.444 3.413 5 1 JGBF CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135926 WESKRVXVGVVDRP-LPNJYYIDSA-N 480.569 3.400 5 1 JGBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(=O)NCCNCCC(=O)NO)cc3)cc12)c1ccccc1 138893610 OWTKUWJQSMRWJD-QGZVFWFLSA-N 487.564 3.013 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1 586949537 YABZTOWXJVQJJZ-UHFFFAOYSA-N 451.464 3.346 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578711 XAZWEIKHGJABFY-GBXCKJPGSA-N 463.398 3.290 5 1 JGBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 587667488 LIBRKNRDXNZVON-UHFFFAOYSA-N 462.466 3.060 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@H]2c3cccc(Br)c3CCN2C)c1OCC(=O)O 963289272 LKGKSMDYEQCBGZ-GOSISDBHSA-N 451.273 3.407 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCOC 4152911 XJNKDVVZNDOOLN-GGAORHGYSA-N 487.509 3.255 5 1 JGBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1cccc(Br)c1 64516351 ADFDYLLKOYNGAQ-SFHVURJKSA-N 476.312 3.012 5 1 JGBF CCOC(=O)C1=C(COCc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726968 QJKDZDOIWNZKPX-LEWJYISDSA-N 467.478 3.371 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587747597 OUOPYCBHGXVQLM-YBTHPKLGSA-N 465.275 3.406 5 1 JGBF COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc(OC)c1O 13381003 FWFYBSKGLJPMRL-AVRDEDQJSA-N 482.441 3.257 5 1 JGBF biogenic CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148709 DUQRTFIOFFZROK-PKOBYXMFSA-N 480.569 3.371 5 1 JGBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H](C)O)cc1 586935607 LZVZGKWHFAJOGG-WHEQGISXSA-N 463.519 3.068 5 1 JGBF NC(=O)c1cc(N2CCC(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CC2)ccc1[N+](=O)[O-] 587262933 IYSGBCGGNCMPQK-UHFFFAOYSA-N 488.508 3.013 5 1 JGBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205277 DBZKJMZJYFFOIO-DRAMBROLSA-N 474.901 3.135 5 1 JGBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 29332880 PHTUTOMJUWFHHH-OAQYLSRUSA-N 492.513 3.253 5 1 JGBF CO[C@H]1[C@H](O)[C@H](O)[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3805542 CCOPBVQTBWBCIK-IKERNBKFSA-N 469.497 3.098 5 1 JGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN1CCOCC1 4212511 XUOJCNYSVJASFG-XZOQPEGZSA-N 492.573 3.074 5 1 JGBF CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085552 BRUWLYNPRUHXHZ-QGZVFWFLSA-N 461.496 3.209 5 1 JGBF CCOC(=O)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3nc2N2CCC[C@@H](C(=O)OCC)C2)C1 72110118 AHQHYEXCYNZKFO-SJORKVTESA-N 485.541 3.097 5 1 JGBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267073 FELWZVRBOURBTL-UHFFFAOYSA-N 496.549 3.021 5 1 JGBF Cc1c(C(F)(F)F)cc2nc(C(=O)N[C@@H](CCO)C(=O)N3CCCCC3)sc2c1[N+](=O)[O-] 653786088 NMKVBCQCBVGEMF-LBPRGKRZSA-N 474.461 3.025 5 1 JGBF CCOC(=O)c1cn2c3ccc([N+](=O)[O-])cc3oc3c(N4CCN(C)CC4)c(F)cc(c1=O)c32 1772579426 SNWYZRZFYNBNNP-UHFFFAOYSA-N 468.441 3.175 5 1 JGBF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053710 IEVVQJAWWXGPRE-IMFGXOCKSA-N 456.886 3.125 5 1 JGBF CCCc1cc(C(C)=O)ccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 59966667 KBSHAWJFLFEBKL-INIZCTEOSA-N 457.435 3.381 5 1 JGBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 963216724 AGIZNHIABFUJTH-UPVQGACJSA-N 462.506 3.040 5 1 JGBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@H]2C=CC=C[C@@H]21 254209940 ZPJRZGXHUHSGBE-FWJAZRMLSA-N 464.405 3.024 5 1 JGBF CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 587118442 PZEATIZTNPDBMG-UHFFFAOYSA-N 460.438 3.122 5 1 JGBF O=C(Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82149352 FQQLCLSZTZLGKM-INIZCTEOSA-N 462.384 3.477 5 1 JGBF CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccc(C)cc1 104110605 SZSMWRGDIKOBHK-WKKOBIEJSA-N 486.528 3.054 5 1 JGBF COc1ccc(S(=O)(=O)N[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](C)O)cc1 586936144 NUJMZPHKCLGQBT-ACJLOTCBSA-N 463.519 3.068 5 1 JGBF COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C[C@@H](O)CN(C)C)c4c1n2C)C(=O)NC3=O 14944041 XIKQYZCJVULUHD-AWEZNQCLSA-N 470.529 3.254 5 1 JGBF CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC 4152070 ZEIWEIQTADKPQR-LADGPHEKSA-N 498.536 3.272 5 1 JGBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)NCCc2cc(C)c(F)cc21 962088996 FJRWCSSLBIBUPM-OUPRXKBMSA-N 460.502 3.362 5 1 JGBF COc1cc(OC)c([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)cc1O 13381010 MOHMOMXDPCQWAD-SIKLNZKXSA-N 482.441 3.257 5 1 JGBF biogenic COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccccc2[N+](=O)[O-])cc1 26376864 AERQMCOEJRCRDI-QHCPKHFHSA-N 468.554 3.311 5 1 JGBF COCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134557 OFIJVCMZINMFID-UHFFFAOYSA-N 465.466 3.159 5 1 JGBF Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5cnsc5)cc4c(=O)c3c2)cn1 95584635 DFAYATIFDXCKAW-UHFFFAOYSA-N 477.571 3.225 5 1 JGBF CC(C)(C)OC(=O)NCC[N+](C)(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 653707428 PJSNRZFUKOXREW-UHFFFAOYSA-O 461.624 3.007 5 1 JGBF O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081728 CVVUIHXSYLCBCE-GOSISDBHSA-N 493.545 3.047 5 1 JGBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 4049699 CGYLIYUNGMNNNG-FKVPHHQGSA-N 469.494 3.124 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055418 MBYFBGGUZXXNGT-WEMWZYORSA-N 487.896 3.488 5 1 JGBF O=C(C1CCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299858082 GEDJQVPPJVSFKF-UHFFFAOYSA-N 456.446 3.422 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746117 JBIOJXMPUZRVEO-YBTHPKLGSA-N 465.275 3.406 5 1 JGBF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C4)c2n1 28817534 GSXQJIMQFOJZLW-QGZVFWFLSA-N 458.478 3.328 5 1 JGBF CN(c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1)S(=O)(=O)NCc1ccccn1 95550947 HWJUUPKQGPIRMF-UHFFFAOYSA-N 486.557 3.015 5 1 JGBF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc([N+](=O)[O-])ccc21 101077786 JDKIXWVODUGXRO-UHFFFAOYSA-N 456.480 3.222 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC 4153595 CXEAJKOYPBRHDH-BZNMQPETSA-N 499.520 3.337 5 1 JGBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])cc1OC 4320580 ZNHWPJSZXULYRQ-UHFFFAOYSA-N 474.514 3.307 5 1 JGBF COc1cc(O)c2c(=O)c3ccc4c(c3oc2c1)O[C@@H](CO)[C@@H](c1cc(OC)c(O)c(OC)c1)O4 2356486310 NGLVDMIISAUIAQ-WMZHIEFXSA-N 482.441 3.257 5 1 JGBF O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 73198120 PRTVRLZORAJMAP-UHFFFAOYSA-N 459.506 3.341 5 1 JGBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)c1ccc([N+](=O)[O-])cc1N=C1N(c3ccccc3)CC[C@@]12O 962893905 GMIUHDBKOILMHF-DFCKQENNSA-N 488.475 3.261 5 1 JGBF COCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135260 JQKMVHHUKGGXRX-UHFFFAOYSA-N 465.466 3.159 5 1 JGBF Nc1ncc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1[N+](=O)[O-] 587268304 QCYDTWSITRWAIB-UHFFFAOYSA-N 497.454 3.038 5 1 JGBF O=C(O)c1cc2c(c3nc4cccc(O)c4nc13)[C@H]1Cc3nc4cccc(O)c4nc3[C@@](O)(C1)O2 2356324283 IKZAYRLYTAVSAG-UXMMLNGASA-N 468.425 3.103 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](N)[C@H]1O 2356797802 OLWSNGQWGXTTDT-ZDGIOXSASA-N 454.486 3.308 5 1 JGBF CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O 27878237 UOBKYFOKGVNRMN-CVEARBPZSA-N 462.402 3.045 5 1 JGBF CCOC(=O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@H](C(=O)OCC)C2)C1 72110119 AHQHYEXCYNZKFO-IRXDYDNUSA-N 485.541 3.097 5 1 JGBF NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084550 DZCMQLHMIPWQRU-LJQANCHMSA-N 486.575 3.252 5 1 JGBF CCOc1ccc(-c2nn(C(=O)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC 587670326 VBMIMDPFEWHSJK-UHFFFAOYSA-N 463.450 3.306 5 1 JGBF COc1cc(/C=C/C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1OC 13864296 AGJHOJDCPSVSPB-BQYQJAHWSA-N 452.467 3.132 5 1 JGBF Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587552650 BFBSKHKNDWISEC-RTBURBONSA-N 472.413 3.203 5 1 JGBF O=[N+]([O-])c1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587133818 BPOYRZJMXUMUBZ-UHFFFAOYSA-N 465.207 3.129 5 1 JGBF COc1ccc([C@@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@@H]2CO)cc1O 2356676452 UAVLWISCGBKCAX-NQIIRXRSSA-N 452.415 3.248 5 1 JGBF O=C1O[C@@H](COc2ccon2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 45315715 OXQPLTGLNXGDKA-QGZVFWFLSA-N 487.444 3.041 5 1 JGBF CCCc1nn(C)c2c(=O)nc(-c3cc(-c4ccc(CC(=O)NO)cc4)ccc3OCC)[nH]c12 224521599 DJXOHGHNFUBOFM-UHFFFAOYSA-N 461.522 3.390 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267066 FDZIZGKGEGIEOV-CYBMUJFWSA-N 456.484 3.395 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4152978 PJBIFAIKHAMEKV-XVJJEDPTSA-N 497.504 3.234 5 1 JGBF O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 587552661 BQPFRSAYMSCVQR-MJGOQNOKSA-N 472.413 3.089 5 1 JGBF COc1cc2c(cc1OC)CN(c1c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c1OC[C@H]4C)CC2 29126977 BPKYEVLZIXJMJV-LLVKDONJSA-N 499.451 3.280 5 1 JGBF O=C(c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 587049109 HDANDRVTYYKXIG-QHHAFSJGSA-N 455.902 3.045 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](NC=O)[C@H]1O 2356796691 NLFKVOZMPKQXBD-FMEYYXOWSA-N 482.496 3.096 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4054578 RUAZPCRASJZXKH-NJDIQBRYSA-N 490.944 3.424 5 1 JGBF COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3/c(=N/CCCN(C)C)c2c1 31852784 YRKVZONKXGMJCC-UHFFFAOYSA-N 454.575 3.454 5 1 JGBF CCOC(=O)C1=C(C)NC(C(OCC)OCC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 34734007 SGXNWGTXAZZVRP-GOSISDBHSA-N 462.499 3.335 5 1 JGBF CCOC(=O)[C@@H]1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)CS1(=O)=O)C(=O)NC4=O 28762444 UYHCMCQUZNDMRW-XMMPIXPASA-N 487.493 3.234 5 1 JGBF CN(CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccc([N+](=O)[O-])c2nonc12 587660268 DRQLTVCDOKKIJN-UHFFFAOYSA-N 474.408 3.424 5 1 JGBF O=[N+]([O-])c1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 587138975 BNKMLIJMGUNWJI-UHFFFAOYSA-N 485.291 3.061 5 1 JGBF COC(=O)[C@@H](F)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C 587620298 UQGVCOXGCIBLIH-INIZCTEOSA-N 451.432 3.378 5 1 JGBF COc1cc(OC)c([C@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc1O 13381012 MOHMOMXDPCQWAD-DENIHFKCSA-N 482.441 3.257 5 1 JGBF biogenic O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(CCc3ccccc3)n[nH]c2c1=O)c1cccnc1 49034817 LAOOZQREUNXTOO-UHFFFAOYSA-N 481.472 3.259 5 1 JGBF COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H](C)[C@H](O)[C@@](C)(O)[C@@H]3O)ccc(O)c12 100972521 BJPYMDSMDBCKEP-UCXKXLNRSA-N 496.512 3.063 5 1 JGBF O=C(N[C@@H](Cc1ccc(OC[C@H]2CO2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 29388930 BXIBEUHPVPLYRJ-GOTSBHOMSA-N 461.474 3.352 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CSc2ccccn2)cc1 73138841 YLBCRQDDPONWHL-VQTJNVASSA-N 459.549 3.033 5 1 JGBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 586949926 GYMYFUFPRYYJKY-UHFFFAOYSA-N 453.436 3.105 5 1 JGBF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4208554 GYOKSEZRVGZXFR-ICSRJNTNSA-N 475.885 3.203 5 1 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215455 CNJZQVMSPBDRGN-ITEAAPOESA-N 474.514 3.074 5 1 JGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)nc3)cn1)C2 72123599 BGGDOMPCTTYSLT-AWEZNQCLSA-N 451.361 3.124 5 1 JGBF COCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc([N+](=O)[O-])cc2)n1 82159849 FFUZRXWQHGELQQ-UHFFFAOYSA-N 451.483 3.091 5 1 JGBF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 962632520 LHYIVNIPRSCYKH-MOPGFXCFSA-N 478.383 3.415 5 1 JGBF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055379 NRERDWQTPHULIS-QUCCMNQESA-N 461.858 3.221 5 1 JGBF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3n2)CC1 40873509 LCRYDJIBUIVTFD-UHFFFAOYSA-N 496.471 3.109 5 1 JGBF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081500 PISPYECQOALEMC-SJLPKXTDSA-N 458.540 3.208 5 1 JGBF O[C@H]1C[N+]2(Cc3ccc(OCCOc4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 1857538043 AZOALHFUVDKBMY-PSYZUXJPSA-N 494.676 3.347 5 1 JGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 587264947 QNLSDEBYFVUHRX-WPPNPWJKSA-N 452.221 3.381 5 1 JGBF COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC 82089346 ZBUBKIXLLFMMQV-UHFFFAOYSA-N 470.507 3.124 5 1 JGBF CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C 82082493 DVTACIGICKGTJH-GOSISDBHSA-N 463.512 3.359 5 1 JGBF COc1cc(OC)c([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc1O 13381013 MOHMOMXDPCQWAD-KNQAVFIVSA-N 482.441 3.257 5 1 JGBF biogenic C[C@](O)(CS(=O)(=O)c1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857600991 XNJKDNAVVZOFOD-INIZCTEOSA-N 468.356 3.055 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578714 XAZWEIKHGJABFY-YKSBVNFPSA-N 463.398 3.290 5 1 JGBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)C1 82135424 DXMXLHMIRGDPHF-DOTOQJQBSA-N 454.531 3.251 5 1 JGBF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4050865 SMZIYPBONFSEPY-ZGLLCLJCSA-N 471.510 3.227 5 1 JGBF CN(C)CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086178 AOFVXMOKSLDFJY-LJQANCHMSA-N 498.561 3.138 5 1 JGBF COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(OC)cc(O)cc5oc4c3O[C@H]2CO)ccc1O 13380998 WPQPZXDSZHOTDQ-SIKLNZKXSA-N 482.441 3.257 5 1 JGBF biogenic COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1 587267503 LGEJZRUTWBOWOF-ZDUSSCGKSA-N 456.484 3.395 5 1 JGBF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620829 HRPCOPMDZXSTLG-UHFFFAOYSA-N 499.505 3.463 5 1 JGBF O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 587552659 BQPFRSAYMSCVQR-HKUYNNGSSA-N 472.413 3.089 5 1 JGBF CCC(=O)[C@@H](C)C(=O)[C@@](C)(Cc1ccc(OC)c2nc3c(C(=O)O)cccc3nc12)C(=O)OC 140070911 HWZCUZITBNGTFR-YMXBGEKHSA-N 466.490 3.396 5 1 JGBF O=[N+]([O-])c1c(Br)ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587134088 LKOMZKRNVZSKOS-UHFFFAOYSA-N 465.207 3.129 5 1 JGBF Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3cc(F)ccc3F)n2)ccc1[N+](=O)[O-] 1772624873 ACEVVLUEGBVLNQ-UHFFFAOYSA-N 453.413 3.221 5 1 JGBF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049139 KIBKQSPWKZWKGJ-GGAORHGYSA-N 470.526 3.162 5 1 JGBF COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CS[C@@H]3c3coc([N+](=O)[O-])c3)cc2)cc1 95564533 BUXKUQSGNWKPLE-JOCHJYFZSA-N 482.474 3.368 5 1 JGBF CN1CCN(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1 96258315 KMGINLONUJGCOO-UHFFFAOYSA-N 454.534 3.058 5 1 JGBF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 587262255 GTURBVFOWDBYPA-KKXDTOCCSA-N 472.523 3.033 5 1 JGBF C[C@@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29127249 IGAVOCQXAVBMFG-CZUORRHYSA-N 482.468 3.194 5 1 JGBF CC(=O)O[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 40915487 NQEBJVFBIDGBIE-BJKOFHAPSA-N 475.501 3.184 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@H](NC=O)[C@@H]1O 2356800242 PWDMDSRARYDKBY-WUZOAZNWSA-N 468.513 3.455 5 1 JGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27728338 HJBQCZLOGQJAIU-ATGHGOICSA-N 492.492 3.160 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(Cl)ccc1OCCn1c([N+](=O)[O-])cnc1C 45349330 JOHUDUZHOZGJQO-UHFFFAOYSA-N 478.849 3.102 5 1 JGBF O=C(NC1CCCCC1)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-] 95573131 XJSYOJOQDGPJLF-UHFFFAOYSA-N 477.525 3.192 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC 4054575 RUAZPCRASJZXKH-JYYJXNPCSA-N 490.944 3.424 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055419 MBYFBGGUZXXNGT-LXGVVRJTSA-N 487.896 3.488 5 1 JGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 4208556 DFSGNAOBYLYIPC-FPOVZHCZSA-N 491.928 3.492 5 1 JGBF O=[N+]([O-])c1ccc(N2CCN(Cn3nc(-c4ccc5c(c4)OCCO5)oc3=S)CC2)cc1 1772644437 RMZXAWVIVBVZHI-UHFFFAOYSA-N 455.496 3.332 5 1 JGBF CCOc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84670544 GFQIPDUQQJBEEI-UHFFFAOYSA-N 470.917 3.498 5 1 JGBF CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 13878945 JHGXOSBRFKPAIX-KRWDZBQOSA-N 463.332 3.453 5 3 JGBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1cccc(Br)c1 64516348 ADFDYLLKOYNGAQ-GOSISDBHSA-N 476.312 3.012 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc([N+](=O)[O-])cc1 82150187 VNHOYBXXTJCORW-UHFFFAOYSA-N 462.510 3.262 5 1 JGBF CCN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1 104953221 QVVQPLLGMHLYFX-HKWRFOASSA-N 478.940 3.323 5 1 JGBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H](C)O)cc1 586935609 LZVZGKWHFAJOGG-XMHCIUCPSA-N 463.519 3.068 5 1 JGBF COC(=O)c1cc(Cl)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 587262473 ADKWTYAJNVPLBF-UHFFFAOYSA-N 457.874 3.394 5 1 JGBF CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN(CC)CC 4152066 ZEIWEIQTADKPQR-UPVQGACJSA-N 498.536 3.272 5 1 JGBF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 587079793 NQXNDXKKPMSDBP-UHFFFAOYSA-N 493.933 3.411 5 1 JGBF COC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587263886 HKOHFPFLGYRDJF-GLEZIHRCSA-N 494.258 3.462 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C)on3)c2c1 587620995 KWUWODOEAXJFRQ-UHFFFAOYSA-N 485.478 3.743 5 1 JGBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc([N+](=O)[O-])cc2)N1 587850692 RLNQAJHCLRINKG-BBATYDOGSA-N 457.321 3.319 5 1 JGBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 4077390 SJVHYROVFYTNJN-UZKOGDIHSA-N 499.955 3.191 5 1 JGBF CCOC(=O)c1c(-c2nccn2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621785 ZVYDKNBTMLAUJK-UHFFFAOYSA-N 499.505 3.463 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@H](O)[C@@H]1O 2356580722 WVOXAIREMQIZLC-DTAVPMTPSA-N 455.470 3.342 5 1 JGBF O=[N+]([O-])c1ccccc1CO[C@@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881245 UHXNRRQHOOUQNZ-ROUUACIJSA-N 454.264 3.446 5 1 JGBF CCN(CC)CCn1nc2c3c(O)ccc(O)c3sc3c(NCCNCCO)ccc1c32 29320322 KGNJBLGDUNOXRD-UHFFFAOYSA-N 457.600 3.151 5 1 JGBF CCN(CC)CC(=O)NCc1cccc2cc3cccc(CNC(=O)CN(CC)CC)c3nc12 45286133 WAYAWBMAXNNVIX-UHFFFAOYSA-N 463.626 3.304 5 1 JGBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@H](N)[C@@H]1O 2356531485 AARICDGIAQPTML-GNYCTSIOSA-N 456.502 3.374 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268622 HFSMWEAZYJDALQ-UHFFFAOYSA-N 454.468 3.288 5 1 JGBF O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1OCc1ccccc1 2356359389 JTDLRDRYCXTYOX-QPXUEMTLSA-N 499.519 3.406 5 1 JGBF C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H]([C@@H](C)O)[C@@H](O)[C@@H]3O)c21 15256758 XCWHINLKQMCRON-SQOGDSKTSA-N 494.496 3.008 5 1 JGBF C[C@@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 1857652738 NEPZGORZKOUWMU-WADAIWCGSA-N 455.470 3.178 5 1 JGBF COc1ccc([C@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@@H]2CO)cc1O 2356676453 UAVLWISCGBKCAX-WIYYLYMNSA-N 452.415 3.248 5 1 JGBF O=C(NCC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939884 HROWWHIZJQECRM-UHFFFAOYSA-N 454.439 3.183 5 1 JGBF O=C(CCc1ccc(-c2c[nH]c3nccc-3c2)cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857547899 PGMVZXRTNUKFHR-UHFFFAOYSA-N 493.545 3.117 5 1 JGBF COc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C/C=C\CCCC(=O)O)cc1[N+](=O)[O-] 13521203 YBMUSYVJMONKKJ-BJPJBYANSA-N 452.529 3.498 5 1 JGBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963234668 VEFDFDCPCDMQCV-XXBNENTESA-N 463.881 3.421 5 1 JGBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2cccc([N+](=O)[O-])c2)C1 1866525 ORAYFHLNUXYVFL-IAGOWNOFSA-N 468.447 3.091 5 1 JGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4274908 XODADJJVJAXHID-CZAAIQMYSA-N 474.514 3.122 5 1 JGBF N[C@@H](CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270611 OLLVCRPDPQJGOX-NSHDSACASA-N 458.347 3.419 5 1 JGBF O=[N+]([O-])c1cccc(CSc2nc3cc(Cl)c(Cl)cc3n2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49014585 DWLOOMVCAGJHNX-TVFCKZIOSA-N 486.333 3.155 5 1 JGBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC 4048940 OJDLLYSQCVKKTA-LADGPHEKSA-N 482.537 3.306 5 1 JGBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150284 GSZXFPNEUYYXLR-FQEVSTJZSA-N 488.548 3.416 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(S(C)(=O)=O)c2c1 587619192 BWQAVTGLRJPJDG-UHFFFAOYSA-N 493.441 3.308 5 1 JGBF Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3cc(F)c(F)cc3F)n2)ccc1[N+](=O)[O-] 1772607931 SROUGNYVLQXSJK-UHFFFAOYSA-N 471.403 3.360 5 1 JGBF C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](O)[C@H]1O 142533880 WVOXAIREMQIZLC-CPWWUQQTSA-N 455.470 3.342 5 1 JGBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207177 UZMAMQLFEBNRQX-WEZICIFLSA-N 487.896 3.488 5 1 JGBF COc1cc2c3c(c1)O[C@]1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587434048 PQDZCRUQIRCSJY-APXPCNQMSA-N 490.380 3.158 5 1 JGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 587264941 QNLSDEBYFVUHRX-FUXBKTLASA-N 452.221 3.381 5 1 JGBF COc1ccc(-n2cc(C(=O)NCCN(C)C)c3nc4c(C)cccc4cc3c2=O)cc1OC 25998034 GNEBWYREXBRIFC-UHFFFAOYSA-N 460.534 3.156 5 1 JGBF O=[N+]([O-])c1ccc(Cn2cc(COc3ccc([N+](=O)[O-])cc3I)nn2)cc1 653807501 HLYLWXVYKDHTBP-UHFFFAOYSA-N 481.206 3.326 5 1 JGBF CCOc1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])c(C)nn3C)c(=O)c3ccccc23)cc1OCC 587670063 TUULIZXASPETSH-UHFFFAOYSA-N 477.477 3.500 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O 587576271 NWPAYHPKRJPRQO-AUSIDOKSSA-N 467.386 3.475 5 1 JGBF CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 33728961 BANSTYDAZSQOBZ-QPXQOZNCSA-N 455.442 3.054 5 1 JGBF CN(CCCCOc1ccccc1[N+](=O)[O-])C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 49125736 IZRVPXUUCNNJMO-QFIPXVFZSA-N 461.469 3.143 5 1 JGBF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1cc(F)c([N+](=O)[O-])c(F)c1 963701046 HPSIDFGWLSIGLL-FDFHNCONSA-N 497.454 3.076 5 1 JGBF Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3F)n2)ccc1[N+](=O)[O-] 1772577055 NHUGKLZSQGPDIW-UHFFFAOYSA-N 453.413 3.221 5 1 JGBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 587172848 NDCVTRTYVCDKMF-UHFFFAOYSA-N 477.500 3.464 5 1 JGBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC 4048938 OJDLLYSQCVKKTA-ISKFKSNPSA-N 482.537 3.306 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273841 PCDYASXUHGCXKR-UHFFFAOYSA-N 456.484 3.110 5 1 JGBF CCOC(=O)C1=C(COCc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726967 QJKDZDOIWNZKPX-NHCUHLMSSA-N 467.478 3.371 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586927731 XEXGQXXFNRENLQ-UHFFFAOYSA-N 452.286 3.453 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587747596 OUOPYCBHGXVQLM-PRWKNARSSA-N 465.275 3.406 5 1 JGBF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4050867 SMZIYPBONFSEPY-UTERIFHBSA-N 471.510 3.227 5 1 JGBF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1cc(F)c([N+](=O)[O-])c(F)c1 963701602 HPSIDFGWLSIGLL-FKBYEOEOSA-N 497.454 3.076 5 1 JGBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O 2356531487 AARICDGIAQPTML-OUQBNDRVSA-N 456.502 3.374 5 1 JGBF COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(OC)cc(O)cc5oc4c3O[C@H]2CO)ccc1O 13380999 WPQPZXDSZHOTDQ-UGKGYDQZSA-N 482.441 3.257 5 1 JGBF biogenic N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1COC1 587255264 ARIKOWNPUPTGTC-HSZRJFAPSA-N 457.442 3.491 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1 587868728 QLEFCCXBTDUKIC-UHFFFAOYSA-N 490.402 3.085 5 1 JGBF O=C(N[C@@H](Cc1ccc(OC[C@@H]2CO2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 29388927 BXIBEUHPVPLYRJ-PKTZIBPZSA-N 461.474 3.352 5 1 JGBF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586956236 AVOLGBQTOXVIHL-UHFFFAOYSA-N 451.464 3.293 5 1 JGBF COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 40934180 HHZNDOJXEPMOON-YQJFHSMKSA-N 453.480 3.279 5 1 JGBF COCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82136013 ZLXOHNSNGJQKDE-UHFFFAOYSA-N 467.482 3.057 5 1 JGBF COc1ccc2c(c1OC)[C@@](C)(CC[N+](=O)[O-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775050 IBYJVZJBVLWZBC-XMMPIXPASA-N 451.479 3.335 5 1 JGBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@@H](O)CN3CCN(C4CCCCC4)CC3)c12 49588928 GGEWKBOTQBMEGV-FQEVSTJZSA-N 463.578 3.164 5 1 JGBF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)cc1 586944570 NHDQSINBPXOZBL-UHFFFAOYSA-N 451.464 3.214 5 1 JGBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963234666 VEFDFDCPCDMQCV-WMZHIEFXSA-N 463.881 3.421 5 1 JGBF CS(=O)(=O)N1CCn2c3c(cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C1 14945564 MFBUZGZIEBTKJO-UHFFFAOYSA-N 458.499 3.088 5 1 JGBF COc1cc2c3c(c1)OC1(c4c(O)ccc([N+](=O)[O-])c4C(=O)c4c([N+](=O)[O-])ccc(O)c41)[C@@H](C2)C3=O 587434632 XHSKSWCUFVQGPO-NSHDSACASA-N 490.380 3.158 5 1 JGBF c1cc(NCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)ccnc43)c2n1 1857570977 NFXBVNWLSJZWBI-UHFFFAOYSA-N 486.620 3.424 5 1 JGBF COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCNCCO)c2c1)C(=O)NC4=O 13535101 XCSNYNNJQSXDKR-UHFFFAOYSA-N 470.529 3.304 5 1 JGBF CC(=O)N[C@@H]1C[C@H]2O[C@@](C)([C@H]1O)n1c3ccc(O)cc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356798303 PCZMADWTNISXIC-DNKQQSKKSA-N 496.523 3.322 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134617 SAFFGUKMJSOMOC-IIBYNOLFSA-N 466.542 3.029 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 768904 YVWHKCBSMJDPOZ-CTNGQTDRSA-N 491.928 3.492 5 1 JGBF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4045472 USJWWWWNLWJGCP-OAOOKAIFSA-N 499.955 3.143 5 1 JGBF CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] 13726492 LFSPBUWIBYIALD-UHFFFAOYSA-N 466.564 3.476 5 1 JGBF O=C(NC(=S)Nc1ccc(O)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103288267 IFYMLFIPKVVAEG-UHFFFAOYSA-N 468.922 3.028 5 1 JGBF C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1 29232947 KPCYEEKJNZWMNU-KOSHJBKYSA-N 488.544 3.216 5 1 JGBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NC(=O)CCNCC(=O)NO)cc3)cc12)c1ccccc1 202303699 KLTNJALIVRYAOC-MRXNPFEDSA-N 473.537 3.222 5 1 JGBF COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 96937685 BDSJWYGNIYCHQA-PWGNIBDOSA-N 473.529 3.247 5 1 JGBF CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc([N+](=O)[O-])cc3)CC1)O2 13728485 PRADOTPMMMGALO-UHFFFAOYSA-N 459.524 3.009 5 1 JGBF COc1cc(-c2nnc(COC[C@@H]3CC(c4ccc([N+](=O)[O-])cc4)=NO3)o2)cc(OC)c1OC 45301878 QFZCHNVWEMBKFC-INIZCTEOSA-N 470.438 3.380 5 1 JGBF Oc1nc(O)c(I)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587182204 MYAMRFOVQWORDQ-UHFFFAOYSA-N 456.203 3.132 5 1 JGBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82214764 ZVHWRVHEKMGDRH-SYNHAJSKSA-N 466.542 3.062 5 1 JGBF COc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-n2ccnc2)c(OC)c1 1772648808 SKPMLPISZCLKBQ-UHFFFAOYSA-N 462.470 3.174 5 1 JGBF O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081431 CHFPJMAJHOHZRY-QGZVFWFLSA-N 471.583 3.173 5 1 JGBF Cc1onc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079097 HFCQCCCCFZGFDZ-UHFFFAOYSA-N 481.860 3.392 5 1 JGBF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055195 NWSZNIQEFATDPQ-MJGOQNOKSA-N 468.293 3.119 5 1 JGBF O=C(Nc1nc(Cc2nnc(S)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 28815444 PSWQKOXHXYUZJI-UHFFFAOYSA-N 481.519 3.159 5 1 JGBF CCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587271404 CLJMKIVKEWOPBG-IRXDYDNUSA-N 479.287 3.055 5 1 JGBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4077719 KIKDZZRMWWWGBX-AZUAARDMSA-N 475.885 3.203 5 1 JGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1 587264939 QNLSDEBYFVUHRX-CPFSXVBKSA-N 452.221 3.381 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 772000 DBZKJMZJYFFOIO-ZPDQPEGFSA-N 474.901 3.135 5 1 JGBF C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl 66099202 AJMNQFJBFWKBJZ-UHFFFAOYSA-P 481.468 3.079 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cnn(C)c3)c2c1 587620844 IALCPVCQIVHNTQ-UHFFFAOYSA-N 469.479 3.158 5 1 JGBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 4049698 CGYLIYUNGMNNNG-DVLROOGXSA-N 469.494 3.124 5 1 JGBF CN(CCCCOc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 49015719 BSIDSFHFIPTNPX-JOCHJYFZSA-N 461.469 3.143 5 1 JGBF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586952601 JJJWFCUXIXIANW-INIZCTEOSA-N 475.527 3.324 5 1 JGBF CCOC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 1547908 MGVGRKCWAMZYNI-ZHRRBRCNSA-N 463.490 3.157 5 1 JGBF CN(CCCCOc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 49015723 BSIDSFHFIPTNPX-QFIPXVFZSA-N 461.469 3.143 5 1 JGBF C[C@@]12O[C@@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356795248 LTAPSDDUMODIRU-XRTWKOHDSA-N 467.437 3.207 5 1 JGBF O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206467 PKSAWTLJPMAQSY-CTNGQTDRSA-N 493.347 3.442 5 1 JGBF CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148917 AZDJDBRUYLUSNG-QGZVFWFLSA-N 466.542 3.158 5 1 JGBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)nc1C(F)(F)F 587117543 FIPACZLPQQSXLL-UHFFFAOYSA-N 455.360 3.377 5 1 JGBF O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccccc1[N+](=O)[O-] 103211089 PKJMHXCIVJCYFL-UHFFFAOYSA-N 483.072 3.288 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587262948 IJZXTGLXDZPPPK-VNQPRFMTSA-N 472.523 3.033 5 1 JGBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587748041 RXWSKOPPBBXANB-GIPWTMENSA-N 465.275 3.406 5 1 JGBF CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc([N+](=O)[O-])cnc4[nH]3)cccc12 586943523 CJMOTONDODPMHK-SFHVURJKSA-N 497.581 3.234 5 1 JGBF COC1(c2cc(F)cc(OCC[S@@]3=NS(=O)(=O)c4cc([N+](=O)[O-])ccc43)c2)CCOCC1 73196112 NMEFTPNOZYQBMV-WJOKGBTCSA-N 484.527 3.328 5 1 JGBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1nccc(Cl)n1)C(Cl)(Cl)Cl 1857565170 HNEUVOYKOCPYHY-SNVBAGLBSA-N 473.104 3.078 5 1 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN1CCCC1=O 4214342 ZDYQSTOGJJYCQS-XZOQPEGZSA-N 488.541 3.466 5 1 JGBF O=c1nc2c3ccc4c5c(ccc(c(=O)n2c2ccccc12)c35)c(=O)n1c2ccccc2c(=O)nc41 8918302 KSUYEOPWEUJVRD-UHFFFAOYSA-N 468.428 3.064 5 1 JGBF biogenic COc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1[N+](=O)[O-] 169718863 ZGMSBUSLOCQUFD-UHFFFAOYSA-N 464.430 3.500 5 1 JGBF CN(C)C1=N[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2cccc(Cl)c2)NC(=N)N1 1857588747 DBIUZUQLVVDWNT-GOSISDBHSA-N 483.876 3.053 5 1 JGBF O=C(NCCc1cccc(F)c1)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82135719 UINDQJOTXLDQIV-UHFFFAOYSA-N 451.458 3.000 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148816 IHAOTSQJEJRSIF-LMMKCTJWSA-N 480.569 3.404 5 1 JGBF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc([N+](=O)[O-])cc1 169720550 BBRWTARMBTVUHZ-SFHLNBCPSA-N 450.520 3.364 5 1 JGBF CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 586920143 MZQJIQDEXBKVRI-UHFFFAOYSA-N 468.285 3.384 5 1 JGBF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4207083 KGTVAEYIZRTZME-ICSRJNTNSA-N 461.858 3.221 5 1 JGBF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 101473592 PEKZKGGOKMXVCT-XSYGEPLQSA-N 450.539 3.498 5 1 JGBF CCN(CC)CCNC(=O)c1cccc2c(=O)c3cc([125I])ccc3[nH]c12 101547243 RSCQHAOKJMWYEL-OJSTVIJZSA-N 461.320 3.358 5 1 JGBF CN(C)CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080970 TZOGBWUCBCDEGD-LJQANCHMSA-N 468.535 3.164 5 1 JGBF COc1ccccc1-n1nnc(C)c1C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758915 HYNYQBWSHKEALJ-UHFFFAOYSA-N 470.917 3.498 5 1 JGBF CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1 4049292 VHGDBESXFJQIQQ-JTHBVZDNSA-N 485.972 3.094 5 1 JGBF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2480939 YOBIZWQIAGVBDK-UHFFFAOYSA-N 457.439 3.319 5 1 JGBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148715 DUQRTFIOFFZROK-IEBWSBKVSA-N 480.569 3.371 5 1 JGBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C=C(C)OC(=O)/C1=C/NNc1cccc([N+](=O)[O-])c1 963614146 WGFVFFPPEZKHSV-UBAQGYEUSA-N 466.494 3.303 5 1 JGBF COc1cccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@H]2CO)c1O 2356726655 QSJCSEZWTTXFSZ-UWJYYQICSA-N 452.415 3.248 5 1 JGBF CC(=O)N[C@H]1C[C@H]2O[C@@](C)([C@H]1O)n1c3ccc(O)cc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356798305 PCZMADWTNISXIC-VCPDCAFQSA-N 496.523 3.322 5 1 JGBF O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1Br 64516346 RXGRQNKHEFGNEM-SFHVURJKSA-N 476.312 3.012 5 1 JGBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1COC[C@@H]3S1(=O)=O 101184967 DUXIBKNLDGBHQC-HOTGVXAUSA-N 457.467 3.242 5 1 JGBF N[C@@H](CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269518 CZDGVEQMFBMMOM-NSHDSACASA-N 454.231 3.410 5 1 JGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 82082251 RQLKZEWTMVVFTE-LJQANCHMSA-N 459.572 3.075 5 1 JGBF CCn1cc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 103289940 AQYDEKNTCMJKPF-UHFFFAOYSA-N 464.457 3.195 5 1 JGBF CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccc(Br)cc12 473159863 XXXDTJIQSOTZCA-WWNBULGVSA-N 461.268 3.090 5 1 JGBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586946849 QQULVICFZSWTGK-ZDUSSCGKSA-N 481.328 3.358 5 1 JGBF O=C(CCc1ccc(-c2c[nH]c3nccc-3c2)cc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1857592602 MBGIPXRGJFFVJR-UHFFFAOYSA-N 493.545 3.117 5 1 JGBF CCOc1ccc(-c2nn(C(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587670519 ZSLGHGOOPWSAHA-UHFFFAOYSA-N 477.477 3.500 5 1 JGBF COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5nccs5)CC4)cc3n(C)c2c1 45506395 JGFIXHIGHUMANQ-UHFFFAOYSA-N 451.552 3.074 5 1 JGBF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cc(C(=O)O)c(N)c41)[C@@H](C2)C3=O 587431530 GCJTWVPXYRGCEZ-ODCWNRFASA-N 472.409 3.119 5 1 JGBF O=C(c1ccc(Br)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 40864671 PLOOCGYZJIUUBB-UHFFFAOYSA-N 470.330 3.493 5 1 JGBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 14714951 UPPUMEGQYZFQMH-FCHZLITKSA-N 468.513 3.406 5 1 JGBF biogenic Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCOCC4)ccc3n(C)c12 26281031 WIVLJNCAOGXRFG-UHFFFAOYSA-N 489.576 3.311 5 1 JGBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587384471 DXYYXTUTWUWPHI-HSZRJFAPSA-N 474.441 3.228 5 1 JGBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767696 DLUBKKVMSHVWRR-JTHBVZDNSA-N 460.446 3.314 5 1 JGBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N2CCOCC2)cc1 4045578 YAAODALOQUQPGU-TZIWHRDSSA-N 458.902 3.265 5 1 JGBF N[C@@H](CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271085 ZWYXZGNHQHUZQX-LBPRGKRZSA-N 463.248 3.040 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82150240 PJWLIQPSJLXXSC-UHFFFAOYSA-N 482.585 3.475 5 1 JGBF O=[N+]([O-])c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 587139035 CJEDGDFPGJWRTF-UHFFFAOYSA-N 485.291 3.061 5 1 JGBF C[C@H]1O[C@H]2C[C@@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 2356703637 NEPZGORZKOUWMU-PLUNEFFASA-N 455.470 3.178 5 1 JGBF O=[N+]([O-])c1ccccc1CO[C@H](c1cccc(I)c1)[C@H]1CNCCO1 28881251 UHXNRRQHOOUQNZ-QZTJIDSGSA-N 454.264 3.446 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272842 AWWHLMLOZBWHTE-ZDUSSCGKSA-N 456.484 3.281 5 1 JGBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587748042 RXWSKOPPBBXANB-PRWKNARSSA-N 465.275 3.406 5 1 JGBF O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050590 WIKLGCXJECSNPY-UNMCSNQZSA-N 470.913 3.469 5 1 JGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 4056094 NGPHWKYMJWOEKA-TZIWHRDSSA-N 475.885 3.216 5 1 JGBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 82214766 ZVHWRVHEKMGDRH-KNBMTAEXSA-N 466.542 3.062 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2cnn3ccc(Br)cc23)C1 103299216 LQVKBARVOIWJGS-CYBMUJFWSA-N 465.329 3.492 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587262853 IJZXTGLXDZPPPK-CWRNSKLLSA-N 472.523 3.033 5 1 JGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ncccn3)c2c1 587621596 WOVRNOSROYDFNU-UHFFFAOYSA-N 482.478 3.236 5 1 JGBF O=C(O)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 13797827 YNCNUFDRUOIACX-OAQYLSRUSA-N 484.461 3.170 5 1 JGBF O=C(N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)O)OCc1ccccc1 587203380 OVDMCPXGQREKBA-ZDUSSCGKSA-N 463.244 3.156 5 1 JGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586949121 QGJIDUQHKAMTAG-UHFFFAOYSA-N 459.875 3.055 5 1 JGBF CN(C)C(=O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587197514 PVKJYUNFMAKVOG-UHFFFAOYSA-N 457.442 3.476 5 1 JGBF N[C@@H](CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270841 RSDTUDWVUJRUDO-NSHDSACASA-N 498.135 3.290 5 1 JGBF Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)cc1 15962750 NEUBBJUUDXCEOX-UHFFFAOYSA-N 494.573 3.344 5 3 JGBF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4048935 UWAUNRIRSAHYIH-GGAORHGYSA-N 466.494 3.017 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3CC4)c([N+](=O)[O-])c1 587216356 AGXMDFLLSNZCEF-NRFANRHFSA-N 450.472 3.127 5 1 JGBF CC(=O)c1ccc(NC(=O)CN(C(=O)c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772617325 JMOBRBJZDOMFEE-UHFFFAOYSA-N 481.486 3.267 5 1 JGBF COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)c3noc(C)c3[N+](=O)[O-])CC2)cc1 73278736 VATZATKKARLDQT-UHFFFAOYSA-N 466.494 3.456 5 3 JGBF COC(=O)c1sc(N2C(=O)C(=O)[C@H](C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 169689635 PPVDEZJBVQHRRC-JKSUJKDBSA-N 483.458 3.204 5 1 JGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587265798 XLFZCFQYVKXEJY-ANRSDYALSA-N 489.388 3.207 5 1 JGBF C/C(=C\c1ncc(-c2cc([N+](=O)[O-])cs2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 27181508 VRAICBAQCGHRTB-YZSYQXPTSA-N 494.566 3.016 5 1 JGBF CCOC(=O)C1=C(CCn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-] 169726933 XSINBHDVQQKQFI-UXHICEINSA-N 454.483 3.436 5 1 JGBF O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1 13864318 UGUDVCOJUJWYGH-UHFFFAOYSA-N 485.298 3.266 5 1 JGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264002 IVTLJSJUBHCPQL-JKYUHCHBSA-N 480.231 3.374 5 1 JGBF COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5c(O)cccc5oc4c3O[C@@H]2CO)cc1O 13380993 WQAYAASFEHKNCW-NQIIRXRSSA-N 452.415 3.248 5 1 JGBF biogenic C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 587266741 NXRMHAADVVETMC-UPONEAKYSA-N 455.200 3.210 5 1 JGBF CCOC(=O)C1=C(COc2ccncc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726950 PHDNGUALJBDIBP-PMACEKPBSA-N 453.451 3.233 5 1 JGBF C=Cc1c(C)n([C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2OC)c2c1c1c(c3c4ccccc4[nH]c32)CNC1=O 2356804205 XSHFTELAEMNXHQ-SQHSOPRTSA-N 461.518 3.125 5 1 JGBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(I)c1O)[C@@H](C2)C3=O 587427068 GSMHELUKAXLSFF-DYZYQPBXSA-N 453.188 3.402 5 1 JGBF COc1cc(-c2nnc(COC[C@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)o2)cc(OC)c1OC 45288650 CZTNKRKJIHJMTG-MRXNPFEDSA-N 470.438 3.380 5 1 JGBF CC1(C)CC(=O)c2c(O)ccc3c2N1C(=O)[C@@]31C[C@]2([N+](=O)[O-])CN3CCC[C@H]3C[C@H]2C1(C)C 2356829036 BODXCOIFDQVMAL-PBBCQYGOSA-N 453.539 3.271 5 1 JGBF COc1cc([N+](=O)[O-])ccc1Nc1nc2nonc2nc1Nc1ccc([N+](=O)[O-])cc1OC 39014037 ZGWKQBHESKKKJG-UHFFFAOYSA-N 454.359 3.334 5 1 JGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br 587867382 XSABAABHHKSHSP-UHFFFAOYSA-N 461.154 3.055 5 1 JGBF Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4c(c3c21)C(=O)NC4=O 22930557 GGUSTVFLQLGLJX-UHFFFAOYSA-N 451.530 3.297 5 1 JGBF COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O 35003017 OTELQQRWTMTRLI-SJLPKXTDSA-N 453.451 3.404 5 1 JGBF O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc12 197912285 FLKHSCQMBSUMSH-UHFFFAOYSA-N 477.510 3.110 5 3 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4215458 CNJZQVMSPBDRGN-UZQPLGKSSA-N 474.514 3.074 5 1 JGBF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc3N2)c(O)c2ccccc21 102007949 CVPLLXFLNVMWMC-UHFFFAOYSA-N 456.480 3.222 5 1 JGBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748758 WDVHXJGNMJGISQ-PRWKNARSSA-N 465.275 3.406 5 1 JGBF CN(C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82214849 RCDCKXSLWBSWCE-KRWDZBQOSA-N 466.542 3.158 5 1 JGBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(-c2ncccn2)cc1Br 587938857 DSYVVTIZDFBPFJ-NSHDSACASA-N 451.281 3.351 5 1 JGBF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4054667 FWPDMIPZLZIMJB-MMACOIQUSA-N 477.901 3.244 5 1 JGBF CC(C)(C)OC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4ccccc4[N+](=O)[O-])c3c2)CC1 43060003 VIMRQMREQPFTPW-UHFFFAOYSA-N 487.538 3.239 5 1 JGBF C[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1cc([N+](=O)[O-])cn1 587276041 IDOXQGDYPGVROE-GFCCVEGCSA-N 499.470 3.200 5 1 JGBF CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134616 SAFFGUKMJSOMOC-KKSFZXQISA-N 466.542 3.029 5 1 JGBF COCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 82136024 PCOUBUMHJYZFBO-UHFFFAOYSA-N 495.536 3.124 5 1 JGBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N)c(C(=O)O)cc([N+](=O)[O-])c21 587391759 YKXUZDJFLNZMJJ-DEOSSOPVSA-N 459.414 3.219 5 1 JGBF O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 32138367 CJRNZRWIHYAESJ-BRSBDYLESA-N 486.333 3.155 5 1 JGBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ncc([N+](=O)[O-])n1C 40863601 AFHUBFCNMVHQSX-NRFANRHFSA-N 467.526 3.175 5 1 JGBF CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085551 BRUWLYNPRUHXHZ-KRWDZBQOSA-N 461.496 3.209 5 1 JGBF CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc12 653722482 RTAHWQAPRXFQEF-NRFANRHFSA-N 490.516 3.079 5 1 JGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN1CCCC1=O 4214335 ZDYQSTOGJJYCQS-DHIUTWEWSA-N 488.541 3.466 5 1 JGBF COc1ccc([N+](=O)[O-])cc1C[C@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1Nc1ccccc12 27209813 AZNNPKRJKPDWFO-WLGONLEPSA-N 498.539 3.178 5 1 JGBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040651 BCHVLUHHMDZIJY-ZFGLAFRWSA-N 473.961 3.472 5 1 JGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 587266740 NXRMHAADVVETMC-KSBSHMNSSA-N 455.200 3.210 5 1 JGBF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4051830 ZPCQZJXCOLTWIO-SCWSEQNSSA-N 456.886 3.077 5 1 JGBF CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@H](C)c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 28861892 YULYRDMQEMPRSX-PBHICJAKSA-N 491.545 3.140 5 1 JGBF N=C(N)c1ccc2nc(-c3cc([C@H](CC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1 14956830 PUUQNMDXLJJKHW-INIZCTEOSA-N 489.444 3.438 5 1 JGBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587053350 CYGHVULEAYCNGK-MRXNPFEDSA-N 452.876 3.498 5 1 JGBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 2482066 IHEDZDIINQFSNJ-UHFFFAOYSA-N 491.884 3.326 5 1 JGBF COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cn1 586948260 FWNBBAHRDQRXPE-UHFFFAOYSA-N 467.463 3.429 5 1 JGBF CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C 82082494 DVTACIGICKGTJH-SFHVURJKSA-N 463.512 3.359 5 1 JGBF CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 96905715 BKFZZWVUKDCIEL-CYBMUJFWSA-N 471.464 3.258 5 1 JGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169726946 QUSGBELKKOHECA-PMACEKPBSA-N 454.483 3.435 5 1 JGBF COc1cc(OC)c([C@@H]2Oc3c(c(OC)cc4c(=O)c5c(O)cccc5oc34)O[C@H]2CO)cc1O 238753139 BLALPIPICZQYJH-UGKGYDQZSA-N 482.441 3.257 5 1 JGBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575030 HUSAODOBTWQJCH-GBXCKJPGSA-N 463.398 3.290 5 1 JGBF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4208555 GYOKSEZRVGZXFR-AZUAARDMSA-N 475.885 3.203 5 1 JGBF CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C5CC5)no4)CC3)c2[N+](=O)[O-])cc1 40846106 RMQBCFUMFGANFC-UHFFFAOYSA-N 485.526 3.176 5 1 JGBF Cc1nc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1Br 587263529 BOVMAAYJOAGCQQ-RTHLEPHNSA-N 451.237 3.379 5 1 JGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272836 AWWHLMLOZBWHTE-CYBMUJFWSA-N 456.484 3.281 5 1 JGBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 963142660 KUKKTVCYVYJGRI-JSGCOSHPSA-N 450.429 3.295 5 1 JGBF N=C(N)c1ccc2[nH]c(-c3cc(C[C@H](N)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 26379512 GDJRUOYFWQVBRL-IBGZPJMESA-N 459.462 3.354 5 1 JGBF CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(c4ccccc4)CC3)CC2)cc1[N+](=O)[O-] 95605035 GTTDTSSKKJOSHG-UHFFFAOYSA-N 499.589 3.257 5 1 JGBF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4040771 KVUASNLDNICEQQ-PBEJRMEISA-N 460.918 3.293 5 1 JGBF Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s4)cc3c2c(=O)[nH]1 13735348 HUVYGVTXIYXRCU-KRWDZBQOSA-N 494.529 3.106 5 1 JGBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2s1 587033184 GLWNTXIEWIKCGE-UHFFFAOYSA-N 455.452 3.413 5 1 JGBF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4051828 ZPCQZJXCOLTWIO-LRQRDZAKSA-N 456.886 3.077 5 1 JGBF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 4045471 USJWWWWNLWJGCP-HYVJGQCMSA-N 499.955 3.143 5 1 JGBF COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 29391531 HPZXFJLEWNDGNJ-IBGZPJMESA-N 453.539 3.411 5 1 JGBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 587872639 PGSQOFMQQAEAST-UHFFFAOYSA-N 476.486 3.006 5 1 JGBF Cc1c(Br)cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587263918 HZGVEFGDYJXNNO-RMLUDKJBSA-N 451.237 3.379 5 1 JGBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426140 LRCBUVAEEAAMLW-GYCJOSAFSA-N 487.436 3.128 5 1 JGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 768882 KIKDZZRMWWWGBX-UYAOXDASSA-N 475.885 3.203 5 1 JGBF Cc1noc(C)c1COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1ccccc1 40918006 ZQOCYIZCPFTFBV-HXUWFJFHSA-O 457.484 3.233 5 1 JGBF COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O 587576273 NWPAYHPKRJPRQO-WMZHIEFXSA-N 467.386 3.475 5 1 JGBF COc1cc2c(=O)n(CCN3CCOCC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857630386 FPPDUOWYFZDXLH-UHFFFAOYSA-N 462.502 3.386 5 1 JGBF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nc1O 1911580907 QMDSKLMSRGKHET-FDYZEBBJSA-N 473.489 3.267 5 1 JGBF CCOC(=O)C1=C(COCc2ccncc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726965 QJKDZDOIWNZKPX-RTWAWAEBSA-N 467.478 3.371 5 1 JGBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21 29332885 PHTUTOMJUWFHHH-NRFANRHFSA-N 492.513 3.253 5 1 JGBF Cc1cc2c(cc1C)[n+]([O-])c1cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C)cc1[n+]2[O-] 100894256 NLEUQTQFGAXHLS-UHFFFAOYSA-N 487.516 3.056 5 1 JGBF CC(C)COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587272527 NVVGFKADIHYUAF-ROUUACIJSA-N 493.314 3.301 5 1 JGBF CN(C)C1=N[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2cccc(Cl)c2)NC(=N)N1 1857588748 DBIUZUQLVVDWNT-SFHVURJKSA-N 483.876 3.053 5 1 JGBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](n3cnc4ncnc(Cl)c43)OCc3ccccc32)cc1 29128210 NRCYQDNCRLHPGJ-QGZVFWFLSA-N 486.897 3.312 5 1 JGBF CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081493 DIQHQELVOJYALI-INIZCTEOSA-N 460.556 3.454 5 1 JGBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Br)cnc(Br)c2[nH]1 587264768 JHDOTCBEEDAKKK-QMMMGPOBSA-N 457.082 3.339 5 1 JGBF CC1=C[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)C(C(=O)O)=CN1Nc1cccc([N+](=O)[O-])c1 963216888 AQJVHFGVHATGLK-WIOPSUGQSA-N 487.472 3.152 5 1 JGBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2cccc([N+](=O)[O-])c2)c2ccccc12 73220117 DIAONZMXMWWESB-JOCHJYFZSA-N 477.477 3.493 5 1 JGBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C[C@@H](O)[C@H]1O 238777079 WVOXAIREMQIZLC-WFGPKKOVSA-N 455.470 3.342 5 1 JGBF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 772006 IEVDZZURPQDIBJ-MMACOIQUSA-N 477.901 3.244 5 1 JGBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)OCCN1CCNCC1 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