smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])c(NC[C@@H]3CN(C)CCN3C)n2)C1 434100192 QGTLYUKOVOTAJS-JKSUJKDBSA-N 406.535 0.305 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)[C@@H]1CCOC1 523031008 SEJVOEDRLAYLHA-RISCZKNCSA-N 402.429 -0.430 5 20 HBBD Cc1c(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 580800946 SGZIKOKPXOXNDM-SVONNRBZSA-N 423.447 -0.249 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)c1ccc([N+](=O)[O-])o1 1792355405 VCMDSXOSGQTZRY-ICCCGROCSA-N 419.350 -0.094 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1794000597 VTZMJWMVKJSFAL-DRXBFXEBSA-N 401.383 -0.515 5 20 HBBD Cc1ccn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1794147900 CYGMLNAOOAKDBG-JJLQDPRZSA-N 403.399 -0.274 5 20 HBBD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])s1 1796401360 LGTNJBOYEVSBSU-DDFAGTSDSA-N 421.439 -0.076 5 20 HBBD O=C1CNC(=O)N1CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 108219978 MCOGAHRSXGEEPH-UHFFFAOYSA-N 411.440 -0.157 5 20 HBBD COCC[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 467821983 QCVLUDVWGXFTFI-OBJOEFQTSA-N 417.440 -0.768 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2CCOC2)nn1 479642829 ZCWKTYQWLMCQFF-GFCCVEGCSA-N 410.412 -0.144 5 20 HBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 508149372 KKZWABKRCUFJFC-KGLIPLIRSA-N 419.481 -0.321 5 20 HBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 541281693 PUNKRRWBOUXSNL-FMKPAKJESA-N 415.468 -0.578 5 20 HBBD CN=c1[nH]ccc(C(=O)N2CCN(CC(=O)N=c3cc(C)o[nH]3)CC2)c1[N+](=O)[O-] 553219804 NGBSTKCJHWTKCV-UHFFFAOYSA-N 403.399 -0.432 5 20 HBBD CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 770892335 XJWHGLVWTAGXPE-VIFPVBQESA-N 404.405 -0.358 5 20 HBBD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 804060508 SGIKWQTWWQHXFH-HUUCEWRRSA-N 406.443 -0.066 5 20 HBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1O 921235698 SPVMAJFKYMDLCP-LLVKDONJSA-N 405.454 -0.206 5 20 HBBD O=C(c1cc[n+]([O-])cc1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779883025 HBFABBDNIYHRSR-KRWDZBQOSA-N 402.367 -0.291 5 20 HBBD N=C(N)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc([N+](=O)[O-])o3)[C@H]2C1 1784218906 BYDLZVBNNYEVLS-KEOUBXQHSA-N 420.426 -0.336 5 20 HBBD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C[C@@H]32)n1 1785876084 XPIXBQPTPSAWKF-GVXVVHGQSA-N 403.399 -0.042 5 20 HBBD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793108612 HRQKABYXZHXOLR-WAQNNFHWSA-N 406.395 -0.075 5 20 HBBD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])n1 1796401730 GQFLYNBJWYZPMJ-DABQJJPHSA-N 403.399 -0.274 5 20 HBBD C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CCCN1 1839121716 YDGITCUGAVUIQV-MSOLQXFVSA-N 422.442 -0.470 5 20 HBBD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1839414785 BAYDZEFUUVWXCA-KZULUSFZSA-N 409.395 -0.249 5 20 HBBD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 52561698 WOWXTTPVITZUKH-STQMWFEESA-N 416.460 -0.711 5 20 HBBD CS(=O)(=O)NC1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 604524438 MDRBJVKETYBQDE-UHFFFAOYSA-N 413.456 -0.066 5 20 HBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1320319350 DNVLTFWDSLQHOW-FVQBIDKESA-N 415.468 -0.890 5 20 HBBD CCn1cc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c([N+](=O)[O-])n1 1338268567 WUBYGWLSQIVQNS-UHFFFAOYSA-N 421.501 -0.305 5 20 HBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 490072153 NFGVPWUTKZYBGP-ZYHUDNBSSA-N 419.394 -0.967 5 20 HBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CC[C@@H](O)C1 522735431 JCEWTQNWCUXRMW-CYBMUJFWSA-N 400.457 -0.224 5 20 HBBD C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CCOCC1 538332301 ADNGLHANHMGUCR-CYBMUJFWSA-N 400.457 -0.042 5 20 HBBD O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1CCS(=O)(=O)C1 609836319 DOMPALHKOCIZDQ-AWEZNQCLSA-N 410.452 -0.344 5 20 HBBD Cn1c(=O)c2cc(C(=O)OCCn3cc([N+](=O)[O-])ccc3=O)n(C)c2n(C)c1=O 761389965 TUVMKUPZWBKQEY-UHFFFAOYSA-N 403.351 -0.497 5 20 HBBD CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] 798587746 BFHQRHNEDIYAHS-SNVBAGLBSA-N 417.421 -0.057 5 20 HBBD Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793541279 IPKWLJDJCXISDD-PTEHBNRSSA-N 403.399 -0.123 5 20 HBBD N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1807056864 PRGZCTOANLTCJD-SMDDNHRTSA-N 415.414 -0.484 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842340076 OWKMZQLJPQCFNE-UHFFFAOYSA-N 414.378 -0.231 5 20 HBBD COC(=O)CNC(=O)c1ccc(NC[C@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 508357616 GJDFAJRZJNASOC-NSHDSACASA-N 401.397 -0.277 5 20 HBBD COc1ccc(C(=O)NCC(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 510294691 JAJIEXSKDPJYHW-UHFFFAOYSA-N 414.440 -0.820 5 20 HBBD O=C(C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 541280627 WFRXIPKKQHOKQQ-HNNXBMFYSA-N 422.438 -0.663 5 20 HBBD O=C(NCc1nnc2n1CCC2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 559493598 SGOANPLDVULODL-UHFFFAOYSA-N 400.399 -0.508 5 20 HBBD COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 609988026 BRGUVGJSFVDBCX-CYBMUJFWSA-N 401.397 -0.384 5 20 HBBD Cn1ncc2c(=O)n(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nnc21 753990404 NFSGBFGXSXKHMZ-UHFFFAOYSA-N 404.412 -0.090 5 20 HBBD Cc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000632 GHIYSZPICXCYOL-FVCICTRLSA-N 417.426 -0.263 5 20 HBBD COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CC1 1800556075 YEWNITNEHZAJIZ-PEGIJTEDSA-N 407.383 -0.526 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1832795652 BMTPXBFGQFAIHA-QAPCUYQASA-N 423.426 -0.573 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1832797162 AGEJJGDZEZUDJQ-JOQOYGCGSA-N 423.426 -0.981 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837799990 NMINRDCEMSDLND-ACJLOTCBSA-N 423.426 -0.186 5 20 HBBD NC(=O)c1nccnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165950 XDXLHGBSTMKNFI-RYUDHWBXSA-N 414.382 -0.804 5 20 HBBD COC(=O)[C@H](O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 438214087 JKPPVTUEMFYFHW-OAHLLOKOSA-N 405.363 -0.037 5 20 HBBD COC(=O)[C@]1(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 446715780 VCMGSTVHERXUGQ-HNNXBMFYSA-N 401.397 -0.289 5 20 HBBD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)n1cncn1 1779394569 GRDSXLQWUDYQPQ-MEDUHNTESA-N 404.387 -0.386 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813866 YSBGTJZLSYKICP-MNXVOIDGSA-N 420.426 -0.398 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)N(C)C)C3)ncc1[N+](=O)[O-] 1796600234 QWUKCWWCSYDIBH-JJLQDPRZSA-N 405.411 -0.410 5 20 HBBD O=C(c1nc[nH]n1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1836350819 QEEVWQZLEINTIS-INIZCTEOSA-N 405.371 -0.575 5 20 HBBD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840565570 PPCNGIFFSIYFPX-GOSISDBHSA-N 424.458 -0.272 5 20 HBBD CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CC1 1843389886 OBYLHDXQZCLVNP-UHFFFAOYSA-N 419.442 -0.701 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(N)=O)CC2)cc1[N+](=O)[O-] 15687116 UYXZCWXXLVAXGA-UHFFFAOYSA-N 401.401 -0.895 5 20 HBBD Cc1cc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] 430541771 PLNPFGXCCDDLAE-HOCLYGCPSA-N 413.452 -0.104 5 20 HBBD O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471320019 JCNPSMSWQXMYPH-HZPDHXFCSA-N 408.436 -0.008 5 20 HBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502826410 MLZKHSIGYVRQSB-CYBMUJFWSA-N 420.426 -0.761 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 553121223 PEOOARNDHXPJFJ-CHWSQXEVSA-N 400.413 -0.944 5 20 HBBD CN(C)S(=O)(=O)N1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 557751382 SOHAUWCGLRHHDP-SNVBAGLBSA-N 407.474 -0.075 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] 618175355 JRVWSUKFJVUKCG-UHFFFAOYSA-N 414.440 -0.052 5 20 HBBD CC(C)S(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 808365071 JSWJGINGNKGIRP-UHFFFAOYSA-N 422.485 -0.005 5 20 HBBD COc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] 921828646 WZAXPQNRZZOVOA-UHFFFAOYSA-N 422.394 -0.385 5 20 HBBD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416638 BVZAQHAZRLYUSQ-KSSFIOAISA-N 423.426 -0.483 5 20 HBBD Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1785848000 XZZANFQTYRSQGH-UBHSHLNASA-N 418.414 -0.787 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1ccnnc1 1785954637 XBNSEUSXBLJWHF-BPUTZDHNSA-N 415.410 -0.125 5 20 HBBD O=C1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)CN1 1787476895 JOPAKHSZSLSZPS-CYDGBPFRSA-N 420.426 -0.563 5 20 HBBD Cc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403336 ICLWMJJFLRLTGA-PTEHBNRSSA-N 403.399 -0.123 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404355 OGPACSVMGPNOHZ-QHBPRCKVSA-N 416.394 -0.136 5 20 HBBD NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1808262904 ZZUFQHFPGQYVGR-JLJPHGGASA-N 416.442 -0.822 5 20 HBBD NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1808262922 ZZUFQHFPGQYVGR-QRTARXTBSA-N 416.442 -0.822 5 20 HBBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830403409 RKMXHUMGXNEGTA-QGZVFWFLSA-N 413.358 -0.885 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840533632 IMXVKOYQSJPQIU-KSSFIOAISA-N 423.426 -0.716 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[C@@H](CO)O1 432446152 JAVCXTFANILOGL-OLZOCXBDSA-N 402.429 -0.288 5 20 HBBD O=C(NCCc1nc(=O)o[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 447630092 OOIRKUYHFREUTB-GFCCVEGCSA-N 411.396 -0.217 5 20 HBBD CN1CC[C@@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 460269244 JRNIZZRPRQLBGA-OAHLLOKOSA-N 401.445 -0.761 5 20 HBBD NC(=O)c1nccnc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 462052790 YZODTZKVYGPQHS-UHFFFAOYSA-N 420.407 -0.370 5 20 HBBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471322877 NIWKYATTZIWPTH-CABCVRRESA-N 408.436 -0.008 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 483202670 ZLFXVKKRHJFZSO-LLVKDONJSA-N 422.423 -0.235 5 20 HBBD O=C1NC[C@H]2CN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)CCN2C1=O 490080641 PGZNTPYODUKUTM-LBPRGKRZSA-N 418.797 -0.059 5 20 HBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 531053136 ZKWGWPDQDGVLMJ-JTQLQIEISA-N 420.469 -0.296 5 20 HBBD CN(C[C@H](O)CO)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 546123816 DKYZQMZSRNWCEM-OCCSQVGLSA-N 401.441 -0.193 5 20 HBBD O=C(CCn1nnc2ccccc2c1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750761136 OZNLNRLQUFEXOZ-UHFFFAOYSA-N 404.364 -0.010 5 20 HBBD COC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 778059489 ZINVLZDZFRQYJC-UHFFFAOYSA-N 402.385 -0.090 5 20 HBBD COc1cc(OCC(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)ccc1[N+](=O)[O-] 785245811 WIKROULTADEGDK-UHFFFAOYSA-N 419.350 -0.001 5 20 HBBD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380171 HECZTPZWMTWVHK-PXAZEXFGSA-N 418.414 -0.311 5 20 HBBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cnnn1 1794279906 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NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 1792278311 NBHLOPWMXKBYPU-BPUTZDHNSA-N 419.438 -0.215 5 20 HBBD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1792580422 MCAOBLNEOPIOKR-NJBDSQKTSA-N 406.399 -0.953 5 20 HBBD O=C(Cc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793135858 SMXREFAOASKJEO-GNXNZQSNSA-N 401.383 -0.446 5 20 HBBD N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401319 JZFGYDXLUGUIIU-DOFRTFSJSA-N 411.444 -0.462 5 20 HBBD C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827617 YKINPSHWTMEWJZ-SJKOYZFVSA-N 409.399 -0.873 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1839449941 LYITZTFZXYTJNA-IBGZPJMESA-N 421.454 -0.311 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)n1 1840024060 OMOZLUSYCNFJJU-XIKOKIGWSA-N 424.410 -0.551 5 20 HBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 56056985 OWJYSRZNMFLAJD-NSHDSACASA-N 405.454 -0.173 5 20 HBBD CO[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 460996582 OJTCBFKJVKKWSN-HNNXBMFYSA-N 402.429 -0.022 5 20 HBBD CNS(=O)(=O)c1ccc(NCCC(=O)N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 518594300 WYGHLLCBKMWMKO-UHFFFAOYSA-N 413.456 -0.004 5 20 HBBD CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 541154247 IJTZIRFKEYWJKI-UHFFFAOYSA-N 416.398 -0.780 5 20 HBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CN(C)CCO1 589139045 MBXPJBVNVMZBSR-ZFWWWQNUSA-N 406.443 -0.526 5 20 HBBD CN1CC[C@@H](CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611635427 DXWMZMZCUGRFGE-GUTXKFCHSA-N 412.468 -0.213 5 20 HBBD O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1C[C@H](O)C[C@H]1CO 614113515 FYYIDFDNTBBMII-AEGPPILISA-N 413.452 -0.050 5 20 HBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 786800006 SFSUMFBGRVBLRC-KGLIPLIRSA-N 419.481 -0.722 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)c1 1783869689 QGOPPYMWQMNOCO-PJODQICGSA-N 422.438 -0.435 5 20 HBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C3)=NN1 1797677397 DXRFWQBSLWKQGQ-JMCOTGCJSA-N 417.378 -0.334 5 20 HBBD O=C(CC1(O)CCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801583390 VFPDTXJYDAWRME-FVCICTRLSA-N 407.427 -0.314 5 20 HBBD NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1835067835 RUBUAMIBFXZLOK-AWEZNQCLSA-N 407.475 -0.606 5 20 HBBD COC(=O)[C@@]1(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 446715226 RJDVLEBSECSCMT-OAHLLOKOSA-N 401.397 -0.289 5 20 HBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCS(=O)(=O)NC1CC1)OCCO2 477169565 WJBMPAHEIVKTRC-UHFFFAOYSA-N 407.426 -0.274 5 20 HBBD CCOc1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c([N+](=O)[O-])cc1OCC 503253083 RUHNREBTOQHKRW-UHFFFAOYSA-N 423.382 -0.001 5 20 HBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 527041039 SRLADWACVFDTOZ-JTQLQIEISA-N 407.426 -0.306 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 542265475 IHXSNJJRJRQWMS-JTQLQIEISA-N 421.453 -0.059 5 20 HBBD CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 576420732 JYMSYIHDSYTZCV-AWEZNQCLSA-N 404.427 -0.236 5 20 HBBD NC(=O)CN1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 920341998 LPGURPGCIUTLGX-UHFFFAOYSA-N 413.456 -0.671 5 20 HBBD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)=NN1 1779309012 FUTPGVBWHAOMIG-SJKOYZFVSA-N 419.398 -0.679 5 20 HBBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)n1cncn1 1801359330 QIKGRQDXUFDIAV-OHTBPHCPSA-N 403.399 -0.021 5 20 HBBD Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838203298 JEDZHJXDULWBJQ-KRWDZBQOSA-N 420.382 -0.002 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)Cc2cncnc2)C1 1842097283 QZTDSPOZYDKFPP-UHFFFAOYSA-N 412.406 -0.007 5 20 HBBD O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412031 FTAXKSWKTMATGA-UHFFFAOYSA-N 424.377 -0.148 5 20 HBBD CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1C 492665946 APRUHMFIWDTBFS-UHFFFAOYSA-N 410.412 -0.237 5 20 HBBD O=C1CC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 492691793 MZYFILGJHFIYQX-SMDDNHRTSA-N 424.435 -0.083 5 20 HBBD O=C(CN1CCCNC1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 603604806 NPAICIXGDRFHHC-UHFFFAOYSA-N 411.440 -0.157 5 20 HBBD C[C@H](O)c1cn(C2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)nn1 779555497 KQBDMDVESJUUPG-VIFPVBQESA-N 400.351 -0.081 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1781367526 HDKPCEKQXYWVDH-GTNSWQLSSA-N 406.399 -0.618 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1794004402 UXHTYOLOYDEYFV-DPIQGUFMSA-N 419.394 -0.220 5 20 HBBD COC(=O)[C@H](CF)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 489653174 IDCPGCZPDIWRJN-SCVCMEIPSA-N 419.387 -0.654 5 20 HBBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 509652971 MFOYHNYVBKJTPK-GHMZBOCLSA-N 405.454 -0.188 5 20 HBBD NS(=O)(=O)c1cc(N2CCN(C(=O)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1 515582396 IPGNJKJMKKXLGY-UHFFFAOYSA-N 413.456 -0.777 5 20 HBBD Cn1nnnc1SCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 520010355 IZARSSZMFANMRJ-UHFFFAOYSA-N 415.457 -0.305 5 20 HBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 540932735 CHGVCVPJIIXVEO-LBPRGKRZSA-N 420.469 -0.195 5 20 HBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 604465127 JROQIBSGFDDPCG-CYBMUJFWSA-N 420.469 -0.587 5 20 HBBD O=C(CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N[C@H]1CCS(=O)(=O)C1 781939275 DHDXMFJEIOMFHL-XHDPSFHLSA-N 424.435 -0.103 5 20 HBBD O=C(COCCO)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781539986 GDPFEKBGVRPLAL-SFHVURJKSA-N 409.395 -0.247 5 20 HBBD CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 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COC(=O)[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 443681267 LWSGBPXCVYPPQQ-LERXQTSPSA-N 415.424 -0.214 5 20 HBBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 445163238 SXHSRUOIIQZQSD-GFCCVEGCSA-N 400.413 -0.038 5 20 HBBD CCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 478059784 GXGFFYNGSCMUQZ-UHFFFAOYSA-N 420.469 -0.633 5 20 HBBD CO[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1OC 486319100 PIFKTRQWHFECSH-ZIAGYGMSSA-N 402.429 -0.084 5 20 HBBD COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 544137530 YBXRFSCLVWNGET-UHFFFAOYSA-N 408.458 -0.485 5 20 HBBD COCCNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 589106961 YSBYJMJPIWFHJH-UHFFFAOYSA-N 401.445 -0.873 5 20 HBBD CS(=O)(=O)NC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 589294766 WKLNMJNZDBXGIC-UHFFFAOYSA-N 410.408 -0.269 5 20 HBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 777966973 RNEFPWZAJCGURL-SNVBAGLBSA-N 423.444 -0.034 5 20 HBBD 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O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)N1 1795391296 WUPJABBWEVBVSY-DJZPMSPPSA-N 418.406 -0.218 5 20 HBBD N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1795538437 SHYKGPJCIYUVKF-DPIQGUFMSA-N 422.417 -0.651 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401992 VEJJUOQBCFUVAV-DDFAGTSDSA-N 402.367 -0.065 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403693 OHYJITCDPBPZGO-BZBKMWRSSA-N 403.355 -0.670 5 20 HBBD NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1 1808266590 JMUNXTKAXMESDL-HEHGZKQESA-N 401.427 -0.077 5 20 HBBD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830865900 IJODVJMPQSILPD-SUMWQHHRSA-N 411.415 -0.595 5 20 HBBD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965775 LSTMQQONCAYOGP-UHFFFAOYSA-N 414.338 -0.555 5 20 HBBD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847785568 WJYZFOYOFSBKIK-VWYCJHECSA-N 414.444 -0.539 5 20 HBBD CC(C)NS(=O)(=O)NCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 428446509 JGFILWOWNFLILK-UHFFFAOYSA-N 421.863 -0.073 5 20 HBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 440030931 BZACHTPYTNXVKK-UHFFFAOYSA-N 414.366 -0.231 5 20 HBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 491584413 SYBKTWKILUGVIG-MRVPVSSYSA-N 402.360 -0.926 5 20 HBBD CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 492209410 LHBHYAYPQGCJSV-UHFFFAOYSA-N 410.412 -0.405 5 20 HBBD C[C@@H](CN1CCOCC1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 514206269 MXWGLCBTFRCTMC-ZDUSSCGKSA-N 415.472 -0.107 5 20 HBBD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n1 559034387 LYFRIGZGIWWNRT-UHFFFAOYSA-N 402.411 0.519 5 20 HBBD CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 609346301 BGHWGBDFLVUNTD-ZDUSSCGKSA-N 419.438 -0.090 5 20 HBBD CS(=O)(=O)NC1CC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 619778754 ROCOSTODBMYMTH-UHFFFAOYSA-N 420.469 -0.540 5 20 HBBD COc1ccc(C(=O)NCC(=O)N(C)CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 758151311 UHJGHTHUQPEYFV-UHFFFAOYSA-N 407.427 -0.434 5 20 HBBD COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 787013215 OXEONEBCZPNXKW-UHFFFAOYSA-N 403.348 -0.144 5 20 HBBD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1778954909 PEELJJISHWNJHA-GTNSWQLSSA-N 423.430 -0.531 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840012606 QURXYKKHRXYQGZ-MAUKXSAKSA-N 423.426 -0.573 5 20 HBBD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)CN1 1845825335 PSJDOHUQEDZVRO-GFCCVEGCSA-N 403.395 -0.904 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1848165919 UVOXRPBHPPNGTQ-QWRGUYRKSA-N 404.343 -0.062 5 20 HBBD CC(=O)NCC(=O)NCC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 540469405 PVMMCKJGOVRPRQ-UHFFFAOYSA-N 403.399 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O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCS1(=O)=O 482899098 QMKWLWBWAVDCTI-ZDUSSCGKSA-N 420.469 -0.251 5 20 HBBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498980677 SQDUTSCCXXCQFM-KCXAZCMYSA-N 412.468 -0.303 5 20 HBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CCO1 502839676 FCBKABHPOJBILH-GFCCVEGCSA-N 404.383 -0.549 5 20 HBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1 531261575 DEAYFKMNQWHPLM-MRXNPFEDSA-N 412.468 -0.116 5 20 HBBD CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 573395659 SRGWEZDIJBNWNA-UONOGXRCSA-N 414.440 -0.375 5 20 HBBD Cc1c(C(=O)OCC(=O)N2CCO[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735542615 VTLMHISZIYMOTO-VIFPVBQESA-N 401.397 -0.045 5 20 HBBD CCC(=O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783095075 UOPYDWYDBTWXJX-GOSISDBHSA-N 406.395 -0.435 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784719082 BPORRHHCVRRIQP-KUHUBIRLSA-N 420.422 -0.377 5 20 HBBD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1)n1ccnn1 1794005878 RGIDCIGINIKIDQ-NFFDBFGFSA-N 418.414 -0.766 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011144 SPPYOOHEJFSKRV-GNXNZQSNSA-N 403.351 -0.212 5 20 HBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)C1 1802009347 WOPQUYFZTHVGQJ-FVCICTRLSA-N 418.406 -0.675 5 20 HBBD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)c1 1834442606 ASOFEYVANJPMAW-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(N3CCO[C@@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1 50956419 XXLVFBQXQXURLH-OAHLLOKOSA-N 413.456 -0.779 5 20 HBBD O=C(CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 443705794 IPPUHJALOHLKJL-GFCCVEGCSA-N 405.454 -0.292 5 20 HBBD Cc1nn(C)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 448509933 KBDCTHHVTRYKOQ-UHFFFAOYSA-N 424.439 -0.022 5 20 HBBD C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 475751632 YQKSQTBQPCBTPY-CHWSQXEVSA-N 402.477 -0.200 5 20 HBBD CCCc1[nH]nc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] 476553522 VQUQQRWNQRFORQ-NWDGAFQWSA-N 401.445 -0.814 5 20 HBBD CN(C)C(=O)NCCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 537734641 BMNJXIJHPBKVRX-UHFFFAOYSA-N 416.460 -0.226 5 20 HBBD CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 603552407 CWHUDSBYPJWGJQ-UHFFFAOYSA-N 407.474 -0.569 5 20 HBBD CS(=O)(=O)CCNC(=S)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 729155395 AMQMPDPMAOHHQG-UHFFFAOYSA-N 424.526 -0.081 5 20 HBBD CC(=O)N1CCN(c2ccc(C(=O)NN3CC(=O)N(C)C3=O)cc2[N+](=O)[O-])CC1 770537934 QXLHNNODCAWXQH-UHFFFAOYSA-N 404.383 -0.198 5 20 HBBD Cn1nncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 810350660 XDIUSLASDAFZDJ-UHFFFAOYSA-N 423.411 -0.805 5 20 HBBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1116370175 PRBLOHLUVHOQHB-OIISXLGYSA-N 415.468 -0.890 5 20 HBBD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 1794000814 LVRQNJMZOSFXMT-ZSBFGKGUSA-N 417.426 -0.414 5 20 HBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)ncc1[N+](=O)[O-] 1795857261 NTDHCOSBWPZGRP-DRXBFXEBSA-N 416.398 -0.812 5 20 HBBD N=C(N)NCC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810631359 GBRVFHRYDZCHFB-XHDPSFHLSA-N 415.414 -0.484 5 20 HBBD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CC1 1831374131 OAYJDQGIUFPTSJ-SFHVURJKSA-N 423.426 -0.186 5 20 HBBD O=C(c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1833974193 VUWAUSZQWPCCBB-KRWDZBQOSA-N 417.382 -0.508 5 20 HBBD CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835616851 MMLLDROOYIERGV-SFHVURJKSA-N 424.458 -0.224 5 20 HBBD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838827884 BBPHWYCMAFIJDL-SFHVURJKSA-N 423.426 -0.481 5 20 HBBD O=C(Cn1ccnc1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824304 ZVJFXSCUGXOAHF-UHFFFAOYSA-N 400.395 -0.143 5 20 HBBD COC(=O)CNC(=O)c1ccc(NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 433382182 CICYAXWZWIKOQU-GOSISDBHSA-N 410.427 -0.007 5 20 HBBD CC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 437944590 XJOSHCVHJDEKHQ-LBPRGKRZSA-N 404.379 -0.056 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c([N+](=O)[O-])c1 515524017 XQDGBQJHGYCWFU-UHFFFAOYSA-N 414.440 -0.039 5 20 HBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N=c2nc[nH]n2C)CC1 538029277 VUHPYQIVCUYDEP-UHFFFAOYSA-N 409.428 -0.008 5 20 HBBD CNC(=O)[C@H]1CN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CCO1 542900568 DXVBUGUELFBOLB-QGZVFWFLSA-N 419.438 -0.150 5 20 HBBD COC(=O)c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 604429547 NGKOFRCUXUIVJY-UHFFFAOYSA-N 414.440 -0.312 5 20 HBBD O=C(NCCn1cncn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 608843138 JFBOVHPVRLKNAC-UHFFFAOYSA-N 409.428 -0.098 5 20 HBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 609761229 CBVIFSFBMDSWHH-NSHDSACASA-N 412.786 -0.132 5 20 HBBD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 728762425 JNJOBHOKCMKIJQ-CQSZACIVSA-N 412.424 -0.332 5 20 HBBD Cn1cc([N+](=O)[O-])c(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)n1 772918207 WAJKNGGEFCAHIR-UHFFFAOYSA-N 424.219 -0.017 5 20 HBBD Cn1cc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 773714255 VOBACYBGISSTEZ-OAHLLOKOSA-N 409.424 -0.105 5 20 HBBD CS(=O)(=O)NCCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777863552 QJZJYPRZTIJNBA-UHFFFAOYSA-N 408.414 -0.621 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918193387 CGHQGFVGGHNERB-VIFPVBQESA-N 409.417 -0.342 5 20 HBBD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381754 AGUVPZSIZPCADW-KRWDZBQOSA-N 408.415 -0.324 5 20 HBBD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788812531 HGKMMGRLAMMZOI-ZPFDUUQYSA-N 423.430 -0.642 5 20 HBBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1ccnn1 1800264559 LZPZERXMANFANS-YFKTTZPYSA-N 404.387 -0.626 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836628934 QMLDRACHAJDNGD-UHFFFAOYSA-N 411.415 -0.899 5 20 HBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1 10204617 XMGDNVCCEGZHBV-UHFFFAOYSA-N 406.395 -0.497 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(N(CCO)CCCO)c([N+](=O)[O-])c2)CC1 462103037 DNJIQPSFPDVPFR-UHFFFAOYSA-N 402.473 -0.288 5 20 HBBD O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1C[C@@H](O)C[C@H]1CO 480057090 FYYIDFDNTBBMII-SNPRPXQTSA-N 413.452 -0.050 5 20 HBBD CN(C)S(=O)(=O)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 544207635 YESKALVMMYIWQV-UHFFFAOYSA-N 408.458 -0.582 5 20 HBBD COC(=O)c1cc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c(C)c([N+](=O)[O-])c1 569631839 KDEBYEJAQANMRB-UHFFFAOYSA-N 416.412 -0.364 5 20 HBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCN(CCO)CC2)c([N+](=O)[O-])c1 612605490 OCWKGMCKJRQCMY-UHFFFAOYSA-N 401.445 -0.819 5 20 HBBD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750758710 FFQRAAHBPAFMDJ-JYILRKAJSA-N 424.391 -0.653 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812988 CGYGUEISKIIMLQ-AUTRQRHGSA-N 406.355 -0.081 5 20 HBBD CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793637645 SQXWCOGCUOSHBJ-YXPYIKCWSA-N 406.443 -0.525 5 20 HBBD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)no1 1794000720 JWUUSYOHGBPVRC-DPIQGUFMSA-N 419.398 -0.685 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]n2)C3)n1 1796719262 AWCYHKLDTURCGM-DDFAGTSDSA-N 417.382 -0.367 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1cc(CO)on1 1798734201 OVJLDMLYBUJOIA-KEODLESXSA-N 405.367 -0.080 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800249334 WPWKVWKUQGCMFV-BTTYYORXSA-N 415.410 -0.314 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835553511 WOWXZJGZLWVRNU-LJQANCHMSA-N 421.454 -0.311 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846567496 HCBRPHTUCIMWSF-UHFFFAOYSA-N 406.428 -0.095 5 20 HBBD Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)ncc1[N+](=O)[O-] 1848031023 ZYERSJKUWQJBOA-STQMWFEESA-N 416.394 -0.335 5 20 HBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 426978204 QFDKYECLKIOSEZ-CQSZACIVSA-N 409.447 -0.634 5 20 HBBD COc1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 443461578 DOVJSEARKYEWLR-UHFFFAOYSA-N 408.458 -0.485 5 20 HBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)CNC1=O 538325026 MIRUJTCWZYGGMG-UHFFFAOYSA-N 406.384 -0.449 5 20 HBBD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 747812668 GGWZCACTXLDCKQ-UHFFFAOYSA-N 423.426 -0.048 5 20 HBBD COCCNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781932537 AFSBOSVLOUMHCX-KRWDZBQOSA-N 419.438 -0.005 5 20 HBBD 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414.440 -0.743 5 20 HBBD O=[N+]([O-])c1ccc(O)cc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 768249701 IAPHEZTZGMDPGP-CQSZACIVSA-N 419.481 -0.065 5 20 HBBD O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1N1CCN(CCO)CC1 771146847 NAUFKYZWMYSXRN-UHFFFAOYSA-N 424.458 -0.268 5 20 HBBD Cn1cc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 773714251 VOBACYBGISSTEZ-HNNXBMFYSA-N 409.424 -0.105 5 20 HBBD O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)=NN1 1781938958 RRKKKEPOFQWUFP-SFHVURJKSA-N 417.378 -0.380 5 20 HBBD O=C(CC(F)(F)C(=O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796351794 PFRZPVQHIWJQOM-AKZRSSKFSA-N 417.325 -0.369 5 20 HBBD Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834233992 QOFCSTRTNLTQSR-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD O=C(CCN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410915 DFOHUFVICGIZPY-UHFFFAOYSA-N 402.367 -0.550 5 20 HBBD COC(=O)[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 429497118 ZGWRVADCJNDOSC-FZMZJTMJSA-N 415.424 -0.354 5 20 HBBD Cn1c(O)ncc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1=O 435224845 DXUQIECYYDAODF-UHFFFAOYSA-N 411.396 -0.361 5 20 HBBD CN(CC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 470222225 FMYYWXLPCAUHBT-YPMHNXCESA-N 400.413 -0.636 5 20 HBBD O=C(CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N1CCOCC1 540646780 QCLUPLIXYWTQAG-UHFFFAOYSA-N 414.440 -0.114 5 20 HBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CS(=O)(=O)CCO1 541629054 NNUWUPWRISINSO-LBPRGKRZSA-N 421.453 -0.519 5 20 HBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 609811882 UKYAVZINJDUZCY-UHFFFAOYSA-N 413.456 -0.465 5 20 HBBD CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611641912 WOABQTPUFSPUNR-NFAWXSAZSA-N 412.468 -0.119 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778230594 CCFAHGFGWZLFPS-VIFPVBQESA-N 413.437 -0.025 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COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)n1 1843585445 JJWZCHIEJVGZIF-NSHDSACASA-N 420.426 -0.592 5 20 HBBD NC(=O)[C@@]1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 557006365 FVZUDWXOVMHHOI-CZUORRHYSA-N 412.424 -0.803 5 20 HBBD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1778954913 PEELJJISHWNJHA-PIGZYNQJSA-N 423.430 -0.531 5 20 HBBD Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1785465340 LMIWGMAHNZUZGG-KWBADKCTSA-N 404.387 -0.647 5 20 HBBD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)co1 1793999860 AFNDEBZWDNXJMV-DRXBFXEBSA-N 404.383 -0.009 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1794003628 NFEVXQKYGUSGBC-KEODLESXSA-N 405.371 -0.877 5 20 HBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796342407 LMYYIIFDWJPGRC-DZJQYVJYSA-N 407.427 -0.902 5 20 HBBD NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1800518326 CECPNAHQFCHWTQ-DPIQGUFMSA-N 406.395 -0.231 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1832800999 NJEFSCCBKVZKFB-SFHVURJKSA-N 418.410 -0.110 5 20 HBBD CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)COC1 1837798824 DRZZYMUHFNQVKK-GOSISDBHSA-N 423.426 -0.186 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)O2)C3)n1 1843585154 GUPVAIFHNNTMCD-NSHDSACASA-N 405.367 -0.076 5 20 HBBD CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-] 433982153 CHKPNPAHZWFJDT-UHFFFAOYSA-N 406.399 -0.125 5 20 HBBD C[C@](O)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)CN1CCOCC1 434319130 WPZLQFRMTOYJLS-SFHVURJKSA-N 406.395 -0.610 5 20 HBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1C(=O)CCCC1=O 465159617 RHCQRABWSVWAMC-UHFFFAOYSA-N 412.424 -0.082 5 20 HBBD Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 474779968 ZSRCVKZYROTBQP-UHFFFAOYSA-N 408.396 -0.299 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1(=O)=O 482896411 KZYAYLIWIVMAJJ-NSHDSACASA-N 420.469 -0.251 5 20 HBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 534398172 ZVFFXZLGHDUVOY-GXSJLCMTSA-N 400.413 -0.247 5 20 HBBD COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 554815590 XZVCPEFVZVCVSZ-HUUCEWRRSA-N 407.427 -0.051 5 20 HBBD CC[C@@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 727057876 KEVICKCBGMDVBF-ZDUSSCGKSA-N 400.457 -0.212 5 20 HBBD COC(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 921248317 VGULVGPKJBYRMM-UHFFFAOYSA-N 415.428 -0.033 5 20 HBBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n(C)n1 1779383987 ZZOCCCWERMTFKN-KRWDZBQOSA-N 419.398 -0.183 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810142 CEUMGHATUWJLDL-OBJOEFQTSA-N 403.399 -0.192 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[nH]1)C2 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CCCc1[nH]nc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 796259066 HNOVFYRLYGBEBS-UHFFFAOYSA-N 410.431 -0.340 5 20 HBBD O=C(CCN1CCOC1=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382756 XSUCOBUBWLIVFR-KRWDZBQOSA-N 422.398 -0.396 5 20 HBBD O=C(Cn1ccncc1=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1782661124 RKODZAKSBWJIFP-QGZVFWFLSA-N 417.382 -0.982 5 20 HBBD O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)N1 1786573275 NUVVIGLGPZUXPU-BJDJZHNGSA-N 406.399 -0.810 5 20 HBBD CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793481 MDOQHZPSGOQLCU-YOEHRIQHSA-N 411.415 -0.981 5 20 HBBD CCCCN(C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[C@@H]1CCS(=O)(=O)C1 28190444 XQLSLHRILSOIEQ-LLVKDONJSA-N 414.440 -0.329 5 20 HBBD CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 28993702 XKZHSSONQCCAQU-JTQLQIEISA-N 420.469 -0.310 5 20 HBBD Cc1sc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 467401160 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CC(=O)N1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 609163231 GOTJAWYRXSEHFY-UHFFFAOYSA-N 403.395 -0.529 5 20 HBBD O=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)CN1 1781544042 YOQVYONQJXEEMG-YJYMSZOUSA-N 418.406 -0.120 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783868100 RUOMCEQACDREQK-PJODQICGSA-N 422.438 -0.435 5 20 HBBD CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1787517224 WRNSQSJTNCRNAS-SAXRGWBVSA-N 422.442 -0.222 5 20 HBBD Cc1nnsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796590807 OQTWPGMVJOXBGP-ILWJIGKKSA-N 407.412 -0.005 5 20 HBBD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010913 LDVDYMKCSVEBKW-DDFAGTSDSA-N 419.398 -0.423 5 20 HBBD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844383484 IFJAQJMLTSARIO-CQSZACIVSA-N 408.415 -0.854 5 20 HBBD 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423.444 -0.490 5 20 HBBD C[C@H](O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 762964495 MAWQCUFOPRJVNF-LBPRGKRZSA-N 424.439 -0.227 5 20 HBBD CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815608837 OGUBTAJOCVIRBN-QMMMGPOBSA-N 423.163 -0.051 5 20 HBBD CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)c1 913593350 FKQJDAMHPMSXLM-UHFFFAOYSA-N 408.392 -0.037 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1782782295 GQZCBCIQNHCNJZ-GOSISDBHSA-N 416.394 -0.377 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)ncc1[N+](=O)[O-] 1796600211 PKZJFRUJKZCMNR-IPJQOSJUSA-N 417.422 -0.220 5 20 HBBD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)C2 1800512275 ZMKDYKJFSAPONC-IVWMJMPLSA-N 420.422 -0.052 5 20 HBBD COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831628282 ONDORLPZCIQAIH-SJKOYZFVSA-N 411.415 -0.330 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)n1 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409.490 -0.476 5 20 HBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 543139386 AGRFLKLTOMKGHY-ZIAGYGMSSA-N 415.468 -0.040 5 20 HBBD CC(C)NS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 555898760 NWQHSNLNYQIETB-UHFFFAOYSA-N 407.474 -0.393 5 20 HBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NS(=O)(=O)N1CCOCC1 750727644 ZRTSTJLKHMMASX-UHFFFAOYSA-N 414.396 -0.024 5 20 HBBD COC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 760060013 LUAWBXXUPLZYRV-KBPBESRZSA-N 414.440 -0.246 5 20 HBBD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781842611 DCYMFEMDWJIHIG-LLVKDONJSA-N 416.387 -0.334 5 20 HBBD NC(=O)C1=NO[C@H](CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 784541625 KOUXLLSQBRMYFY-JTQLQIEISA-N 413.412 -0.342 5 20 HBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 786800004 SFSUMFBGRVBLRC-KBPBESRZSA-N 419.481 -0.722 5 20 HBBD CNC(=O)[C@H](O)CNc1ccc(S(=O)(=O)NCCCN(C)C)cc1[N+](=O)[O-] 808047879 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CN(C)C(=O)Cn1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 543513365 LRMBOSAIOIKIBW-UHFFFAOYSA-N 410.412 -0.522 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(O)n3)CC2)cc1[N+](=O)[O-] 604146156 OYQSINAFCJEDEV-UHFFFAOYSA-N 412.384 -0.426 5 20 HBBD COC[C@@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655768 FSVBBEFHEMLWMM-DYEKYZERSA-N 417.440 -0.768 5 20 HBBD COC[C@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611658499 BJSTUJKJVKYIDE-BZPMIXESSA-N 417.440 -0.768 5 20 HBBD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797899706 UOKIUEAEVBMBIL-RVMXOQNASA-N 418.414 -0.551 5 20 HBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 442995309 VSIIIPVLZGACMF-UONOGXRCSA-N 405.454 -0.629 5 20 HBBD C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 474855357 WWYOHRIJOBXILV-NSHDSACASA-N 422.485 -0.005 5 20 HBBD O=C(CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 498968591 OGDINOZXCWCCHV-CVEARBPZSA-N 412.468 -0.301 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 544839436 RQNUYEQEZBTCPN-CQSZACIVSA-N 415.424 -0.195 5 20 HBBD CCn1cc(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c([N+](=O)[O-])n1 546056028 VHVWXQJAPWTGPX-UHFFFAOYSA-N 418.476 -0.778 5 20 HBBD Cn1c(N)c(C(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O 557514937 YVROZWTXBXZVJQ-SNVBAGLBSA-N 403.399 -0.662 5 20 HBBD CN(C)S(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 575378804 LOFKXVFJWVLQNV-UHFFFAOYSA-N 423.473 -0.936 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)nn3)CC2)cc1[N+](=O)[O-] 578259384 FVZHQDFFNMXLMZ-UHFFFAOYSA-N 410.412 -0.121 5 20 HBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 801867110 VCUXXTVJHZDAOJ-TZMCWYRMSA-N 402.404 -0.456 5 20 HBBD CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CC1 1780416861 GUOCPIWQSJUDOB-IBGZPJMESA-N 420.470 -0.386 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21)C(O)O 1783876021 CRDGURVZIXSMBF-XEGUGMAKSA-N 411.386 -0.433 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1785213842 ZICIVAOOSZJOQR-UBHSHLNASA-N 403.399 -0.192 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1788753442 DAMQBZZVBFEFMZ-MNXVOIDGSA-N 420.426 -0.398 5 20 HBBD Cc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794825583 HPRUKSUPQGJTSW-DRXBFXEBSA-N 404.383 -0.009 5 20 HBBD NC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1823536589 LXGILYOLRDNRBY-LBPRGKRZSA-N 419.402 -0.125 5 20 HBBD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)N1 1842737461 TXSHIAJOUWEKFM-LBPRGKRZSA-N 403.395 -0.762 5 20 HBBD Cc1nn[nH]c1C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824473 WFBLBIPCDRQICD-UHFFFAOYSA-N 401.383 -0.300 5 20 HBBD C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF 507264363 RRFQUVUNRYGAKQ-JTQLQIEISA-N 405.408 -0.354 5 20 HBBD C[C@H]1C[C@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 530361234 DYVGIXBLRRITCW-ZFWWWQNUSA-N 412.468 -0.117 5 20 HBBD CN(CC(=O)N1CC[C@@H](S(N)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 533781560 OUHKOVGRTWTXHF-GFCCVEGCSA-N 406.442 -0.895 5 20 HBBD COc1ccc(CC(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 727883410 NBCBURCKIOTRKI-UHFFFAOYSA-N 422.438 -0.079 5 20 HBBD Cc1cc(S(=O)(=O)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 734736497 HCILGFJTZDSJRQ-QPJJXVBHSA-N 408.392 -0.181 5 20 HBBD CS(=O)(=O)CCS(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 758599745 MFAJXGBYPMLVMG-UHFFFAOYSA-N 400.456 -0.668 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787481437 KNLRNSAUFGQXFY-ARFNZGECSA-N 405.411 -0.196 5 20 HBBD O=C1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1794274387 SVIWWKMSORGDTJ-FQUUOJAGSA-N 404.427 -0.044 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)c1ccc([N+](=O)[O-])[nH]1 1798747904 VJMMMXJFQGSTOJ-DPIQGUFMSA-N 416.394 -0.617 5 20 HBBD COC(=O)NCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846512776 SCNWQCPLUCTUKT-UHFFFAOYSA-N 407.383 -0.684 5 20 HBBD COC(=O)CNC(=O)c1ccc(N2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 29073271 FSRHVSLAEFVTMK-UHFFFAOYSA-N 419.438 -0.102 5 20 HBBD CN(Cc1nnnn1C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 466859388 XJSDWZRJYUIXBI-ZDUSSCGKSA-N 409.428 -0.070 5 20 HBBD COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 532146727 XYDMIDZEKFOSQG-UHFFFAOYSA-N 404.383 -0.191 5 20 HBBD CNC(=O)[C@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCO1 541935393 URNBXKREIJYUJD-OAHLLOKOSA-N 415.472 -0.614 5 20 HBBD COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 753447153 RQJYQBKNAIRYBX-UHFFFAOYSA-N 423.426 -0.425 5 20 HBBD O=C(CN1CCOCC1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379904 MGEJJIZHUVPBMS-QGZVFWFLSA-N 408.415 -0.906 5 20 HBBD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)CN1 1787476896 JOPAKHSZSLSZPS-VOAKCMCISA-N 420.426 -0.563 5 20 HBBD CC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793214746 BRHJQSMQAVYXCD-YWVIFJGQSA-N 407.427 -0.004 5 20 HBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)on1 1794000659 XPCMCKXUDJMNJP-DRXBFXEBSA-N 404.383 -0.009 5 20 HBBD Cc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794004435 WSJABXKANYBCRI-FVCICTRLSA-N 415.410 -0.207 5 20 HBBD O=C(c1nc[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826359 AWDXIVYCNZJDIF-INIZCTEOSA-N 405.371 -0.575 5 20 HBBD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)N1 1838826553 MSMNNCPBYQLRQO-ACJLOTCBSA-N 421.410 -0.729 5 20 HBBD O=C(Cn1ccncc1=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000375 QYIPNYSAXTWKKK-UHFFFAOYSA-N 401.383 -0.748 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1[N+](=O)[O-] 15687240 YKISGTHZRMZHLR-LBPRGKRZSA-N 412.424 -0.285 5 20 HBBD Cc1cc(NC(=O)CN2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)no1 109758956 UEMKDZVTKKTYHV-UHFFFAOYSA-N 404.383 -0.164 5 20 HBBD CN(CC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 470222223 FMYYWXLPCAUHBT-DGCLKSJQSA-N 400.413 -0.636 5 20 HBBD NC(=O)[C@@]1(O)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 471819015 BLQBOYQMZFJLTK-OAHLLOKOSA-N 400.413 -0.958 5 20 HBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 508145775 AXOQGNCLZGEENU-DGCLKSJQSA-N 405.454 -0.629 5 20 HBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCS(=O)(=O)C1 511419137 XNDITMRBHPEBPX-LLVKDONJSA-N 405.454 -0.043 5 20 HBBD O=C(C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCOCC1 512759103 RMEAWACVDBDCCP-UHFFFAOYSA-N 418.453 -0.652 5 20 HBBD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 525705435 QFQZOGFYXAFTHT-KFZJALRRSA-N 415.406 -0.199 5 20 HBBD CCn1cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c([N+](=O)[O-])n1 532853724 KZGYSSBZICTGQE-UHFFFAOYSA-N 404.493 -0.520 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 553121225 PEOOARNDHXPJFJ-QWHCGFSZSA-N 400.413 -0.944 5 20 HBBD NS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 581149025 WBHZUWMICWJNTM-UHFFFAOYSA-N 418.453 -0.751 5 20 HBBD COc1ccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 604483854 SXYSWEMSWDVAFX-UHFFFAOYSA-N 422.485 -0.541 5 20 HBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 766863955 LONCPEUBPYKNFD-UHFFFAOYSA-N 424.219 -0.017 5 20 HBBD Cn1c(COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(=O)n(C)c1=O 796274469 VPULJANSJFZLGT-UHFFFAOYSA-N 412.380 -0.986 5 20 HBBD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380178 HECZTPZWMTWVHK-SJKOYZFVSA-N 418.414 -0.311 5 20 HBBD O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1789917523 CNYIOPYCLGTPKV-ZQIUZPCESA-N 423.422 -0.097 5 20 HBBD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404034 WAYGCYBITWJAHF-ZSBIGDGJSA-N 408.415 -0.564 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC=O)C3)ncc1[N+](=O)[O-] 1796602155 VJXMMPSLPYLAKA-JFILPPLUSA-N 405.411 -0.364 5 20 HBBD O=C(c1cc[nH]n1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831763541 ZDNMRJITBUQNMW-MRXNPFEDSA-N 405.371 -0.575 5 20 HBBD O=C(Cn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826655 SGBNUJNDCSHMRT-KRWDZBQOSA-N 419.398 -0.715 5 20 HBBD Cc1nc(CC(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)no1 1845823971 NFZPKIUJJFJEEO-UHFFFAOYSA-N 416.394 -0.106 5 20 HBBD C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](CO)O1 470469743 CKTSBAQQMCCSDH-QWRGUYRKSA-N 402.429 -0.348 5 20 HBBD COC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 522654994 RNBPSBIWWCWLKG-GFCCVEGCSA-N 416.412 -0.544 5 20 HBBD 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COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nn1 811179269 BAMXSXFTKYODGI-ZIAGYGMSSA-N 419.350 -0.114 5 20 HBBD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788812410 AEXWCFHGQMVUCG-HTUGSXCWSA-N 422.442 -0.222 5 20 HBBD O=C(CCn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791523386 GZLWEYOAWBFDDO-OBJOEFQTSA-N 418.414 -0.407 5 20 HBBD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797923370 PCAANZWKNAFGPZ-FMSGJZPZSA-N 422.442 -0.174 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1cc(O)cc([N+](=O)[O-])c1 1799729948 NADLZJVIZSSOQT-DRXBFXEBSA-N 417.382 -0.810 5 20 HBBD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1834446185 UZOJSPDCCNGLCF-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840565792 DTAHUSDWDJCSPE-GOSISDBHSA-N 424.458 -0.272 5 20 HBBD 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520177278 XFFZQBDNOJGEFE-UHFFFAOYSA-N 421.439 -0.066 5 20 HBBD COC(=O)C1(O)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 539915394 AEHDLVSMGNRLMB-UHFFFAOYSA-N 415.424 -0.258 5 20 HBBD COc1cc(CCNC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])cc1OC 550630914 YNMOQWIDVQIGRS-CQSZACIVSA-N 423.470 -0.367 5 20 HBBD CS(=O)(=O)c1ccc(NCCNC(=O)CN2CCCS2(=O)=O)c([N+](=O)[O-])c1 603752348 LDMHLWWJHJDBJX-UHFFFAOYSA-N 420.469 -0.438 5 20 HBBD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381095 QPVIBKAHEUXXQG-DIFFPNOSSA-N 423.430 -0.531 5 20 HBBD O=C(c1cc(O)nc(O)n1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415937 LOVPAJTZFILEAO-QGZVFWFLSA-N 418.366 -0.119 5 20 HBBD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419009 ICABUNLLBRPNJA-QGZVFWFLSA-N 424.483 -0.150 5 20 HBBD O=C(Cn1cnnn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781551525 NUMGNJMEEPYXME-QGZVFWFLSA-N 419.373 -0.136 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401856 OLODRGIZXOTZAF-BZBKMWRSSA-N 403.355 -0.670 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010535 XPMHTFSDKJCUQV-DYNIEEOBSA-N 406.399 -0.788 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1832795901 HVHHGJUTPSIDGX-QGZVFWFLSA-N 420.382 -0.451 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1832802901 DSTZHLHMWPEFKD-KSSFIOAISA-N 423.426 -0.716 5 20 HBBD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CC1)C(O)O 1833222281 TYJQEFWDKCYJNF-UHFFFAOYSA-N 422.438 -0.204 5 20 HBBD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828440 RDAVPAFOWYRTKF-KZULUSFZSA-N 423.426 -0.483 5 20 HBBD CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)C1 1840568205 HZGIQWRLLOQTGQ-SFHVURJKSA-N 408.411 -0.181 5 20 HBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)ncc1[N+](=O)[O-] 1843516642 STIWDFRRCHKZSV-UHFFFAOYSA-N 416.394 -0.333 5 20 HBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cn1C 484839995 GFRKRGZGXXGBGG-UHFFFAOYSA-N 411.444 -0.244 5 20 HBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCS(=O)(=O)C1 488906910 GVPSPLBJHNAIDR-LLVKDONJSA-N 405.454 -0.186 5 20 HBBD Cc1nn(C)c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 747227850 YNEKPCDFQZHPCJ-LLVKDONJSA-N 407.474 -0.724 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781086904 PWZLBSDVCDCLNL-VEVIJQCQSA-N 408.386 -0.056 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404004 AYSSDVRIGXNYHJ-PTEHBNRSSA-N 404.387 -0.797 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1832794063 ZHRZNSYPHFUDKZ-KRWDZBQOSA-N 419.398 -0.715 5 20 HBBD COCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 461638776 ATALHDYMZDJRMA-CYBMUJFWSA-N 403.413 -0.090 5 20 HBBD CN(CC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1[N+](=O)[O-] 469173951 PUWVMHQLAFILRN-UHFFFAOYSA-N 409.428 -0.318 5 20 HBBD CCCc1[nH]nc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 476553521 VQUQQRWNQRFORQ-NEPJUHHUSA-N 401.445 -0.814 5 20 HBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 488799585 DFCAVXLTQMKDPE-SNVBAGLBSA-N 410.408 -0.269 5 20 HBBD Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 522893471 WNQGCTLYXMYGIR-GXTWGEPZSA-N 419.481 -0.321 5 20 HBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 531160345 RJWSZJWMTHCMBX-GFCCVEGCSA-N 414.440 -0.127 5 20 HBBD CS(=O)(=O)c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 537604521 OBLBBAYIPPTRNA-HUUCEWRRSA-N 419.481 -0.722 5 20 HBBD Cc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1C 581026187 SCOIECMJCZQQQN-UHFFFAOYSA-N 401.383 -0.045 5 20 HBBD C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)N(C)C 769670152 QUXDZZOOUNJITE-JTQLQIEISA-N 420.378 -0.002 5 20 HBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778052773 LOYNAODTWYRJHL-JTQLQIEISA-N 403.369 -0.246 5 20 HBBD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])nn1C 1798008599 ATIHIZAJASMPHN-DRXBFXEBSA-N 417.426 -0.194 5 20 HBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)ncc1[N+](=O)[O-] 1843516939 DVAKGNWNQAFTEI-LBPRGKRZSA-N 404.427 -0.292 5 20 HBBD CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 469902741 UJGDXQJELBPSPM-CYBMUJFWSA-N 412.472 -0.420 5 20 HBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCNC(=O)C1 512483814 NJGMAEVRKVGKKA-OAHLLOKOSA-N 423.495 -0.006 5 20 HBBD Cn1cnn(CCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 815267234 BNAQMXXZPUNZPX-UHFFFAOYSA-N 418.410 -0.228 5 20 HBBD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785616 PDABALCGMPLKNY-QFBILLFUSA-N 422.438 -0.397 5 20 HBBD CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1837257500 ICXXUONZHPTHPZ-PMXLPMHFSA-N 423.426 -0.202 5 20 HBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1)n1cncn1 1845825637 XTRSMAXWUOBYBE-ZDUSSCGKSA-N 415.410 -0.187 5 20 HBBD COC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 429498814 UQMUOCGWHRFWTG-KGLIPLIRSA-N 415.424 -0.212 5 20 HBBD CC(C)NS(=O)(=O)NCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 430450286 LYQFWQLIHVZZEP-UHFFFAOYSA-N 413.412 -0.861 5 20 HBBD Cn1ccnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 444097021 MQVKCDXROIFXDK-ZDUSSCGKSA-N 407.408 0.480 5 20 HBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 485926898 AGXSDMRDKHMBOA-AWEZNQCLSA-N 416.456 -0.345 5 20 HBBD Cn1nnc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 490580418 PWSYGNPPBYKSOH-ZDUSSCGKSA-N 409.428 -0.022 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 498851468 QQUYSSIKSFMASQ-ZDUSSCGKSA-N 415.424 -0.028 5 20 HBBD CC(C)NC(=O)CN(C)CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 504845720 IKOAHMRTLYKSDU-UHFFFAOYSA-N 400.457 -0.059 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)C(=O)C1 507261165 UUBNIMWPPOLRHB-UHFFFAOYSA-N 411.440 -0.111 5 20 HBBD CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 578155007 IGJAOXZUJNOFPV-LSDHHAIUSA-N 407.427 -0.051 5 20 HBBD CN(CCN1CCCS1(=O)=O)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 610632174 OERVSVCXMNKOQC-UHFFFAOYSA-N 413.456 -0.112 5 20 HBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 611821100 IMPYUCOAEOMLPY-LBPRGKRZSA-N 413.456 -0.335 5 20 HBBD Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 919131852 ADINQAGZRBXSPK-UHFFFAOYSA-N 423.407 -0.261 5 20 HBBD COC(=O)c1ncn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 921184949 CQDCOCCMEKPAQL-UHFFFAOYSA-N 410.412 -0.063 5 20 HBBD N=C(N)NCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1807055999 VKDVHZNMOHBDAI-NHYWBVRUSA-N 415.414 -0.484 5 20 HBBD CN(CC(=O)NCCN1C(=O)CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 465156788 QILOZEHUBLGNJN-UHFFFAOYSA-N 412.424 -0.129 5 20 HBBD CNC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 467973458 MOVMFZRPWXXPGN-LLVKDONJSA-N 414.444 -0.414 5 20 HBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 495216910 GLVJTNLULJGQJC-ZDUSSCGKSA-N 417.430 -0.402 5 20 HBBD C[C@@H](CS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 502816629 ZIQXMWBRRQTECI-JTQLQIEISA-N 408.458 -0.395 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 522659732 IJZBGLAEGLIUOH-JTQLQIEISA-N 406.442 -0.641 5 20 HBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCCN1C(=O)CNC1=O 733468383 ZVZTUDSQKQTMNO-UHFFFAOYSA-N 414.396 -0.252 5 20 HBBD C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1779219747 YREDWBVRGWVGSF-SJCJKPOMSA-N 418.414 -0.311 5 20 HBBD O=C1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CN1 1779379552 YVIZLPWFXYJHIV-APPDUMDISA-N 406.399 -0.712 5 20 HBBD Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1780276061 NBRNPQDKHJIWNH-KRWDZBQOSA-N 403.399 -0.033 5 20 HBBD COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477066 GBLIIGVSDHGRMS-AVGNSLFASA-N 411.415 -0.426 5 20 HBBD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796453746 QTUMSNDUTIRCHQ-SYEHKZFSSA-N 408.415 -0.612 5 20 HBBD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010703 GMNRBVKDRMDIJM-SGESHTKJSA-N 408.415 -0.612 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745260 IUSHZWNQXABURX-FVCICTRLSA-N 407.427 -0.542 5 20 HBBD O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845473216 PJJJSVHFSWCNFU-QGZVFWFLSA-N 420.422 -0.232 5 20 HBBD O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-])c1cccnc1 1848138461 YWWZJEWWRHJKAV-STQMWFEESA-N 413.394 -0.042 5 20 HBBD CN(C)S(=O)(=O)N1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 45522671 OCZRWQJSPMKQDZ-UHFFFAOYSA-N 413.412 -0.547 5 20 HBBD CNC(=O)[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C 429178747 DJSJBJRWXKFDBK-ZDUSSCGKSA-N 401.445 -0.057 5 20 HBBD COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 463575850 SBLFATRAUNCIBQ-HNNXBMFYSA-N 403.413 -0.048 5 20 HBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cnnc3O)CC2)c([N+](=O)[O-])c1 541079885 JORIPERTRCBMDQ-UHFFFAOYSA-N 410.412 -0.356 5 20 HBBD CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 546088043 VVGNQHKKGIDUIJ-UHFFFAOYSA-N 419.486 -0.118 5 20 HBBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 555276420 MQMCPOAEDILADZ-JKSUJKDBSA-N 413.452 -0.091 5 20 HBBD C[C@H](NC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)C 733559429 SQLAZOKOUOEHNY-WDEREUQCSA-N 410.383 -0.072 5 20 HBBD O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CCN1 1779394961 IHCLIBAZDPUYMA-DIFFPNOSSA-N 406.399 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CS(=O)(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 507204322 KMMJOQMTAWGMRI-NSHDSACASA-N 420.469 -0.298 5 20 HBBD C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 523938774 CGCQHRXVOFCRBN-VXGBXAGGSA-N 422.485 -0.183 5 20 HBBD Cn1cnn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 539929824 JDSMAQXDZHVMFR-UHFFFAOYSA-N 410.412 -0.977 5 20 HBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCO1 541040920 MEVWHBWBHGGMRW-AWEZNQCLSA-N 408.367 -0.332 5 20 HBBD COCCNC(=O)CN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 610182328 SEODKRDGVLTPKL-UHFFFAOYSA-N 423.426 -0.358 5 20 HBBD C[C@](O)(CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 611648188 XLSXANPTPQTLQL-IFIJOSMWSA-N 413.452 -0.004 5 20 HBBD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620157 KTMAPVBTZZAQPB-JTQLQIEISA-N 404.426 -0.412 5 20 HBBD CN(CC(=O)OCC(=O)N1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738672743 CXZFPCWNXCXTEF-UHFFFAOYSA-N 401.397 -0.383 5 20 HBBD Cc1c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 748372772 UCMRZWWMRVCPMI-UHFFFAOYSA-N 401.401 -0.142 5 20 HBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)CO)CC2)c(C)c1[N+](=O)[O-] 790864852 HIYQFDRNNMIQEP-UHFFFAOYSA-N 402.385 -0.055 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H](O)CN2)n1 1799920631 ZRKNVWNSXGJUMC-NDKCEZKHSA-N 419.438 -0.027 5 20 HBBD CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832803862 MLMDAHXPGTXPKD-DYVFJYSZSA-N 411.415 -0.717 5 20 HBBD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839718938 VUDJTZJXTFUFNO-GVTIMSHASA-N 420.422 -0.211 5 20 HBBD CNS(=O)(=O)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 435215753 HQTSMZBPAJVPBK-UHFFFAOYSA-N 420.469 -0.804 5 20 HBBD C[C@](O)(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)O 471457599 FRDIBLYHHWIHPO-ZBEGNZNMSA-N 415.424 -0.053 5 20 HBBD C[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 483042269 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O=C(NCCc1ncc[nH]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643957 YLYXUCSQIHCERK-YPMHNXCESA-N 409.424 -0.199 5 20 HBBD O=C1CN(S(=O)(=O)c2ccc(C(=O)OCCn3cnc([N+](=O)[O-])n3)cc2)CCN1 749079042 LVHIPUBZNGJSSI-UHFFFAOYSA-N 424.395 -0.836 5 20 HBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1319878723 LTXBVQNGYJSGIW-JKSUJKDBSA-N 412.468 -0.383 5 20 HBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)ccc1[N+](=O)[O-] 1795539665 LOWPSACNLSLCFT-DRXBFXEBSA-N 420.426 -0.710 5 20 HBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830388901 VKLBUTLSPKTPCQ-LJQANCHMSA-N 423.422 -0.706 5 20 HBBD COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793083 VRBKLIBHMSIAME-INIZCTEOSA-N 413.387 -0.993 5 20 HBBD CN(CC(N)=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 428095743 KSFZKGQRWWBDTA-UHFFFAOYSA-N 401.445 -0.873 5 20 HBBD C[C@@](O)(CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 434321019 IYKPTEMHUADYLF-GOSISDBHSA-N 409.443 -0.407 5 20 HBBD Cn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 448476862 CYZKNGNLBGLBSE-UHFFFAOYSA-N 422.423 -0.200 5 20 HBBD COC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 487725012 LJLIJJLSLFACHL-ZDUSSCGKSA-N 401.397 -0.336 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 518896100 QZKMPKKEOKJZNV-CYBMUJFWSA-N 402.429 -0.639 5 20 HBBD CNS(=O)(=O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 584104865 OUVNASACXBDXJK-UHFFFAOYSA-N 410.408 -0.269 5 20 HBBD COc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 604105354 NDTIYWXMKJIQOM-UHFFFAOYSA-N 404.387 -0.356 5 20 HBBD CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O 611659541 BHQXULMIVCHPIE-UHTWSYAYSA-N 412.424 -0.934 5 20 HBBD CS(=O)(=O)CCNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 729154632 CADJAFKTIQCVIU-UHFFFAOYSA-N 410.499 -0.618 5 20 HBBD CS(=O)(=O)N1CCN(C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)CC1 751224260 KFKQXWBZEMOKJR-UHFFFAOYSA-N 416.368 -0.008 5 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2)c1n[nH]cc1[N+](=O)[O-] 1798011038 UIVWQEFHSRNGQV-DRXBFXEBSA-N 416.394 -0.617 5 20 HBBD O=C(c1nc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829484523 KPBOXFXOXMBIRT-MRXNPFEDSA-N 406.355 -0.310 5 20 HBBD O=C(Cn1cccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1836168766 OGRIDHXSTWIZAF-SFHVURJKSA-N 418.410 -0.110 5 20 HBBD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168908 XXFWEYSCUNMBJN-UWVGGRQHSA-N 414.338 -0.557 5 20 HBBD COCCNS(=O)(=O)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 499709070 BNRZXGHPQIMGND-UHFFFAOYSA-N 424.435 -0.002 5 20 HBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 502849213 WOGUTECEAJFATK-UHFFFAOYSA-N 417.426 -0.632 5 20 HBBD Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n(C)n1 609947248 OCNSSOAYGBDUQP-UHFFFAOYSA-N 410.412 -0.330 5 20 HBBD COCC(=O)NCCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1321659749 DFWQCHRGEUHYRV-UHFFFAOYSA-N 408.411 -0.061 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1794000643 GTRTWTPVLKVLTD-DRXBFXEBSA-N 417.378 -0.143 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1794000735 ZTZQCDCMSIXMGL-YWVIFJGQSA-N 401.383 -0.515 5 20 HBBD CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796463192 AQGCGKPSZBSNNU-YWVIFJGQSA-N 422.442 -0.847 5 20 HBBD O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1801119639 IXSWSIKWOZGRJE-YQYWCBKUSA-N 417.378 -0.949 5 20 HBBD NC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810642233 CRALJZSFFDJBDJ-IAQYHMDHSA-N 416.398 -0.299 5 20 HBBD O=C(c1cc(O)no1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838105025 BZXOWVONIKSVLC-INIZCTEOSA-N 422.354 -0.605 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845238924 DRUJJBYYMNKJBT-ZDUSSCGKSA-N 417.422 -0.419 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 469287987 YMBKSOGXINMYGU-CYBMUJFWSA-N 417.440 -0.305 5 20 HBBD NC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 510384418 LASJOUAYAJSTAN-UHFFFAOYSA-N 402.454 -0.354 5 20 HBBD CN(CC(=O)N1CC[C@H](S(N)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 533781561 OUHKOVGRTWTXHF-LBPRGKRZSA-N 406.442 -0.895 5 20 HBBD COc1ccc(C(=O)NCC(=O)NCCN2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 541147369 CPXCRSTZMPUJDT-UHFFFAOYSA-N 407.427 -0.387 5 20 HBBD Cn1cc(N2CC[C@@H](OC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2=O)cn1 796275685 NLOVNCFYEPMQQY-CYBMUJFWSA-N 423.407 -0.045 5 20 HBBD N=C(N)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1817250543 AYAODSYXSBVQKY-LBPRGKRZSA-N 418.418 -0.310 5 20 HBBD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829489327 CTXWKYDPELYBMY-XIKOKIGWSA-N 424.410 -0.218 5 20 HBBD CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834816985 RZNZCSAOWQXXBA-GOSISDBHSA-N 408.411 -0.377 5 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Cc1c(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 552838709 CBHDCGYZKBCUCQ-SNVBAGLBSA-N 420.469 -0.343 5 20 HBBD Cn1c(COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O 748383672 UTIMAYUCVTWRLB-UHFFFAOYSA-N 405.367 -0.465 5 20 HBBD Cn1cc(N2CC[C@@H](OC(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2=O)cn1 801438203 AIKOZDQDBDGISV-GFCCVEGCSA-N 409.380 -0.062 5 20 HBBD COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 802158417 LISKTPSJWQORRZ-UWVGGRQHSA-N 401.397 -0.032 5 20 HBBD O=C(CN1C(=O)CCC1=O)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 918180501 LIKZCIUAZLOVMC-UHFFFAOYSA-N 417.378 -0.247 5 20 HBBD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1779381366 ZIRNXOONLHBEKB-MRXNPFEDSA-N 419.402 -0.906 5 20 HBBD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1ccnn1 1782752530 LUZMBKRWGWLXBA-SUMWQHHRSA-N 418.414 -0.526 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1785214862 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HBBD C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835531428 PHLNVWVZLPHHSA-YJYMSZOUSA-N 422.438 -0.035 5 20 HBBD CN(CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1[N+](=O)[O-] 463274573 RGPZMMRNHWGLIM-UHFFFAOYSA-N 417.422 -0.149 5 20 HBBD CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513747006 IAAQVZPVHMUITI-UHFFFAOYSA-N 408.458 -0.440 5 20 HBBD CO[C@H]1C[C@@H](C(=O)O)N(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 537483039 PPOXAXGKHBTAMK-AAEUAGOBSA-N 401.397 -0.036 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)C1CCOCC1 582412366 IZJVAWWVTOEEBR-HNNXBMFYSA-N 416.456 -0.040 5 20 HBBD CN(C)S(=O)(=O)C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(F)(F)F 1345768906 GVXBDSIVTUVIDJ-JTQLQIEISA-N 400.335 -0.305 5 20 HBBD CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CC1 1779381147 RJGWTXVBQBQDGW-SFHVURJKSA-N 421.458 -0.991 5 20 HBBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)ccc1[N+](=O)[O-] 1785631698 GZZOPJLGYMFSAT-SFHVURJKSA-N 421.410 -0.285 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813032 BZRMLVLKMGALKF-FCNPYSRZSA-N 405.411 -0.196 5 20 HBBD CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100921 AIXIANNOHURONW-UHFFFAOYSA-N 421.458 -0.361 5 20 HBBD O=C(Cc1ncccn1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823965 LVELJYAUJYLGNP-UHFFFAOYSA-N 412.406 -0.007 5 20 HBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 467296680 IGLKOCMFPXYESE-AWEZNQCLSA-N 420.426 -0.703 5 20 HBBD CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Cc1nc[nH]n1 471221795 XOLZYOIQUBOFKA-UHFFFAOYSA-N 423.455 -0.322 5 20 HBBD CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 591845254 GHXHUQZKZWIFRX-SNVBAGLBSA-N 421.453 -0.343 5 20 HBBD NC(=O)c1ccc(COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c([N+](=O)[O-])c1 745484200 TWFVIOXCAUMNON-QHSBEEBCSA-N 403.347 -0.101 5 20 HBBD 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O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1804415652 OYSYKMGMRUFDMO-WFASDCNBSA-N 404.383 -0.797 5 20 HBBD CN(CCCCO)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 472987781 SWTDNIWIBSDUKU-OCCSQVGLSA-N 401.441 -0.050 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCCO3)CC2)cc1[N+](=O)[O-] 509096269 POBUHGCHCFYWKK-HNNXBMFYSA-N 415.424 -0.148 5 20 HBBD Cc1cc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 523759944 WHLCQCYTLIQNJV-LLVKDONJSA-N 405.454 -0.125 5 20 HBBD CCn1cc(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c([N+](=O)[O-])n1 545468972 BGUCFIPHLBJFLZ-JTQLQIEISA-N 405.433 -0.207 5 20 HBBD O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 609203991 HBSIMZQJXSSYAI-OAHLLOKOSA-N 420.422 -0.372 5 20 HBBD CN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611623768 NJDOFHFSSRYFQZ-HIFRSBDPSA-N 412.468 -0.071 5 20 HBBD C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 733893256 GQUMEHPWJOSZLO-NSHDSACASA-N 406.359 -0.345 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1782782682 RCXCBACPSGPUQY-BIENJYKASA-N 420.422 -0.643 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789391636 QGKFVMZXTQBPQD-OBJOEFQTSA-N 403.399 -0.192 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccc(O)nn1 1794565997 VJBNMSIZGCYMSY-YFKFIEJBSA-N 403.355 -0.670 5 20 HBBD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccccn1 1795610604 LWAUVJMTZXWAGZ-ZMJPVWNMSA-N 415.410 -0.384 5 20 HBBD COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796687647 OPAYDRVXEJZIKD-WDAIWFPHSA-N 420.382 -0.031 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@]1(CCO)CCOC1 475131406 UCRUILYOVUGDTK-INIZCTEOSA-N 416.456 -0.039 5 20 HBBD CS(=O)(=O)c1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 485171502 YNRSUWYIGGXWHZ-OLZOCXBDSA-N 419.481 -0.722 5 20 HBBD 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COc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1[N+](=O)[O-] 1781188875 HGJHMMYIJNDSNK-LIRRHRJNSA-N 421.454 -0.738 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787478151 VXWYWQCTTHEVGK-IHRRRGAJSA-N 416.394 -0.142 5 20 HBBD CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1801530791 UYNIRKCGYWJOPB-QHBPRCKVSA-N 415.424 -0.174 5 20 HBBD O=C(Cn1ccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834386187 ILAMCKBRLNTDKA-GOSISDBHSA-N 418.410 -0.110 5 20 HBBD O=C(CNC(=O)c1ccncc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57443785 UWMZRUDAYOJNTB-UHFFFAOYSA-N 407.408 -0.186 5 20 HBBD COC(=O)Cn1cc(CNC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nn1 442023202 KCDCIIQBBFJODC-VIFPVBQESA-N 416.350 -0.340 5 20 HBBD NC(=O)c1cn(C2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)nn1 500512397 BHJBCPUWZHKPBL-UHFFFAOYSA-N 401.339 -0.906 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 521105353 LLDFTWMBXTYMHA-NWDGAFQWSA-N 421.410 -0.354 5 20 HBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 542755892 NDFSZVZVMKAZEY-CYBMUJFWSA-N 406.486 -0.028 5 20 HBBD CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 578155006 IGJAOXZUJNOFPV-HUUCEWRRSA-N 407.427 -0.051 5 20 HBBD CN(CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O 603612804 SHDNHUGXULLNLN-UHFFFAOYSA-N 400.413 -0.282 5 20 HBBD Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 611190500 SSCSDVFTQFRNAM-UHFFFAOYSA-N 421.435 -0.007 5 20 HBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)C(=O)N1CCS(=O)(=O)CC1 771511231 ZVMKLBJAOAEIFZ-QMMMGPOBSA-N 413.437 -0.025 5 20 HBBD CCc1nn(C)c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 807987541 DVGXZNDQNRZZGW-LLVKDONJSA-N 421.501 -0.470 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1785213607 HYMQNFNOYGMDBB-QEJZJMRPSA-N 415.410 -0.125 5 20 HBBD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)n1 1786082875 GRUNGTYXOGSKPA-MJVIPROJSA-N 403.399 -0.042 5 20 HBBD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1793288812 QTVMTWUNPYEFLS-IVWMJMPLSA-N 420.422 -0.057 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401701 SNWPOINQDJSCNU-AGGWBTHJSA-N 415.410 -0.056 5 20 HBBD NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835101130 ZZASXANHAMCNOR-UHFFFAOYSA-N 422.446 -0.829 5 20 HBBD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839885409 UQVWXMBKMCZGMD-SFHVURJKSA-N 423.426 -0.481 5 20 HBBD CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 439041251 KMISINUWKDVDFC-CYBMUJFWSA-N 414.440 -0.082 5 20 HBBD CCS(=O)(=O)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 502815231 TVLFVTDQMPAMTR-LLVKDONJSA-N 422.485 -0.005 5 20 HBBD Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(O)nc1=O 508387765 JPNICOGXUKLULC-UHFFFAOYSA-N 423.407 -0.459 5 20 HBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 511070511 WGHPNPCIBOGZAA-GFCCVEGCSA-N 420.469 -0.457 5 20 HBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1 531261574 DEAYFKMNQWHPLM-INIZCTEOSA-N 412.468 -0.116 5 20 HBBD CC[C@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656133 MAUFKXCJQXKSEJ-OBJOEFQTSA-N 401.441 -0.004 5 20 HBBD C[C@@H](NC(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C 748375078 JIGHAGZOZMFIED-LLVKDONJSA-N 409.399 -0.470 5 20 HBBD CNC(=O)CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 1322026425 DPRSYXXOEKMBFS-UHFFFAOYSA-N 403.395 -0.248 5 20 HBBD Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])cccc1=O 1798010901 KOCDQMPCHMVEIO-QHBPRCKVSA-N 416.394 -0.466 5 20 HBBD NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358899 SABDQHKVGNVXSV-CLLJXQQHSA-N 405.411 -0.340 5 20 HBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 60318412 SDRNTGGNVOKUFH-UHFFFAOYSA-N 408.415 -0.981 5 20 HBBD CC(C)OCCS(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 475733266 JZOBKGGRNNANQP-OAHLLOKOSA-N 405.477 -0.475 5 20 HBBD CN1CCN(C)[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 522066566 MPMRLKMCTDBYJA-CQSZACIVSA-N 414.488 -0.582 5 20 HBBD C[C@@H](NC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)c1ccc(F)cc1 610217952 MQUYYHGPIFCVOI-SNVBAGLBSA-N 419.369 -0.012 5 20 HBBD CC(C)[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 748911456 MGIJKCGWHGMUQM-ABAIWWIYSA-N 415.424 -0.372 5 20 HBBD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)n1 1788810168 DUFRVARRXTVBAF-MJVIPROJSA-N 403.399 -0.042 5 20 HBBD O=C(CN1CCSCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792466479 VLVFGXZWSTXCNN-JJLQDPRZSA-N 424.483 -0.430 5 20 HBBD NC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825127563 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1845758875 SSOSUTIXLUKRGJ-UHFFFAOYSA-N 409.472 -0.521 5 20 HBBD CNC(=O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 460446412 IZFKKRGSGKKIAE-CYBMUJFWSA-N 401.445 -0.950 5 20 HBBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471318926 WIEPCRWWOOFGBF-IAGOWNOFSA-N 422.463 -0.079 5 20 HBBD CCn1cc(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)O)CC3=O)C2)c([N+](=O)[O-])n1 548576702 RVFNINKWDYJGLG-ZJUUUORDSA-N 401.401 -0.493 5 20 HBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 795925488 RXQWCRTXEFCCEY-SSDOTTSWSA-N 400.182 -0.118 5 20 HBBD CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 801158994 YYKIUZNMTLMIBW-UHFFFAOYSA-N 413.408 -0.154 5 20 HBBD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779599803 KFTVRQZOWKZVJT-WHWRDJHUSA-N 422.442 -0.043 5 20 HBBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)ccc1[N+](=O)[O-] 1796342065 ZILWTTWDUBHDJX-AHXJXLJNSA-N 421.454 -0.979 5 20 HBBD C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827615 YKINPSHWTMEWJZ-PXAZEXFGSA-N 409.399 -0.873 5 20 HBBD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839163791 QSSFWNCNAFMBIY-YVEFUNNKSA-N 409.399 -0.873 5 20 HBBD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839885408 UQVWXMBKMCZGMD-GOSISDBHSA-N 423.426 -0.481 5 20 HBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1S(=O)(=O)N1CCOCC1 48224428 RGHMWGDOKGIWER-UHFFFAOYSA-N 410.412 -0.476 5 20 HBBD CC1(C)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O 428311331 BNTBDHUJVBPNFU-UEEZHKSASA-N 413.452 -0.006 5 20 HBBD NS(=O)(=O)CCN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 478297029 JLNQSQCAACYRSC-UHFFFAOYSA-N 408.440 -0.173 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)N1CCOCC1 541328479 HDKVCJZGUUCRSO-UHFFFAOYSA-N 401.397 -0.091 5 20 HBBD O=C(NCCn1ccnc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 592368953 WXPQEEWCWUIMBN-OCCSQVGLSA-N 409.424 -0.268 5 20 HBBD Cc1cc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 609673441 KOZKGFWCJZDGNL-NSHDSACASA-N 405.454 -0.173 5 20 HBBD C[C@H]1CN(CCNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 726257271 NUPQGTNFQIFXEE-ZDUSSCGKSA-N 415.472 -0.107 5 20 HBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 918194245 WJSDNDUOHCUERO-UHFFFAOYSA-N 400.388 -0.155 5 20 HBBD O=C(COc1cccnn1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1784457312 JCWPTQAUAAUCBX-KRWDZBQOSA-N 417.382 -0.370 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 1792243773 LYPCETKMPDKYBT-KWWOMAKMSA-N 417.466 -0.126 5 20 HBBD O=C(CN1CCSCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792464797 ZWCUDCHLZMPMAY-DABQJJPHSA-N 424.483 -0.430 5 20 HBBD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401248 GLNQSELTIGLNHO-FOUMNBMASA-N 408.415 -0.612 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(OC)OC)C3)n1 1796717739 HNKHPIUVLCCLPT-GNXNZQSNSA-N 424.410 -0.180 5 20 HBBD CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1797608787 UXWVVDKSVPKSKE-JVHXUNMHSA-N 413.456 -0.320 5 20 HBBD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829490071 PXYJVLTXHNTJIO-SFHVURJKSA-N 424.410 -0.216 5 20 HBBD O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844458499 RRRRLHWVTYSPQC-UHFFFAOYSA-N 415.366 -0.203 5 20 HBBD Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3cc([N+](=O)[O-])ccc3n1)c(=O)n2C 440619267 BWCBROWPJQTRHB-UHFFFAOYSA-N 409.362 0.529 5 20 HBBD CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 501913732 KUHHAOOSFWSWOJ-AAEUAGOBSA-N 400.413 -0.347 5 20 HBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 542684197 DKXWZRZXXVSRJS-LBPRGKRZSA-N 413.456 -0.413 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 544837000 YWPJDVKEBUVAEA-LBPRGKRZSA-N 419.387 -0.197 5 20 HBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([N+](=O)[O-])n1 549520303 NORWASXMKZNELO-GFCCVEGCSA-N 400.461 -0.262 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798007082 ILBKTMDJRJNLHX-JJLQDPRZSA-N 424.483 -0.430 5 20 HBBD C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835103162 HUCKTOXPKHWQAT-GFCCVEGCSA-N 421.458 -0.362 5 20 HBBD Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837794552 WOSCZOHBQWXGCD-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD O=C(Cc1cc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838828356 OJJGVHOMQFOVDU-SFHVURJKSA-N 418.410 -0.041 5 20 HBBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)N1CCN(C)CC1 1845098081 QJLJDHFDWQNINI-CYBMUJFWSA-N 405.459 -0.229 5 20 HBBD Cn1ccc(CC(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)n1 1845824095 AZQBBDUOQOUPML-UHFFFAOYSA-N 414.422 -0.064 5 20 HBBD COc1cc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 469045422 SJBJLPKHLIRQFQ-SNVBAGLBSA-N 421.453 -0.473 5 20 HBBD CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 510612193 FGMXOOTXXPWSRR-UHFFFAOYSA-N 406.486 -0.109 5 20 HBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([N+](=O)[O-])n1 549520322 NORWASXMKZNELO-LBPRGKRZSA-N 400.461 -0.262 5 20 HBBD COC[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 554815591 XZVCPEFVZVCVSZ-LSDHHAIUSA-N 407.427 -0.051 5 20 HBBD Cc1c(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] 604145065 DCBVLHCNJYZHKR-UHFFFAOYSA-N 403.395 -0.209 5 20 HBBD Cn1cnc2c1c(=O)n(CCCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c(=O)n2C 748911802 NGJVESIFSFLPCN-UHFFFAOYSA-N 418.366 -0.863 5 20 HBBD NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 1793701516 HMXVHBROVRNEFF-ZSBFGKGUSA-N 419.438 -0.215 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1794000046 YJJUNDUGMUOBDW-IVWMJMPLSA-N 415.410 -0.586 5 20 HBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829917039 LUOVGESFRATJGG-UGSOOPFHSA-N 423.426 -0.043 5 20 HBBD Cc1nocc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793717 CAPXEBIIWACKOD-QGZVFWFLSA-N 420.382 -0.002 5 20 HBBD CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 428311328 BNTBDHUJVBPNFU-OBCWZRDOSA-N 413.452 -0.006 5 20 HBBD C[C@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 497574729 KUPQGZWCYDLNPL-ZDUSSCGKSA-N 415.472 -0.419 5 20 HBBD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 499672961 YJXOPPQUCVXHDB-YGRLFVJLSA-N 414.440 -0.735 5 20 HBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 512090450 PSJGNPGTINLHAL-UHFFFAOYSA-N 412.384 -0.449 5 20 HBBD CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 521917289 XMQQSNKDJXOQLM-UHFFFAOYSA-N 414.440 -0.420 5 20 HBBD CN(C)S(=O)(=O)N1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 553704036 JELBONDWCLATSA-SNVBAGLBSA-N 407.474 -0.075 5 20 HBBD O=C1CN(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C(=O)N1 732356894 OREVUKLHHRTJPI-UHFFFAOYSA-N 408.323 -0.210 5 20 HBBD NS(=O)(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1 762814268 CGYXNKRCMJTQRO-UHFFFAOYSA-N 400.442 -0.354 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387103 RBDPUEHFHBUEJX-APPDUMDISA-N 406.399 -0.618 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1782784507 UTKXGPYYNBXUKX-KRWDZBQOSA-N 417.382 -0.982 5 20 HBBD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)C1 1784784192 HFKYQSXAFBVGQA-IBGZPJMESA-N 419.438 -0.852 5 20 HBBD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476855 FOJRZKXLHJPDQW-FQUUOJAGSA-N 422.442 -0.174 5 20 HBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297122 UDXPKMYUZOFHEU-QGZVFWFLSA-N 420.422 -0.232 5 20 HBBD Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 32438389 CBLCWGCWWXMHHA-LLVKDONJSA-N 405.454 -0.125 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 469240399 KCXIALIHEJHLAJ-UHFFFAOYSA-N 414.440 -0.224 5 20 HBBD C[C@H](CCS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 474836146 NQJPIZOPRCAMJR-LLVKDONJSA-N 422.485 -0.005 5 20 HBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1)OCCO2 507889037 CSLZXQWSQBEWSA-SECBINFHSA-N 408.410 -0.542 5 20 HBBD Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] 522884192 HPNPAMJUSPOZNT-PHIMTYICSA-N 416.460 -0.262 5 20 HBBD CNc1nccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1[N+](=O)[O-] 561160301 XELMLOIQWLPZHU-UHFFFAOYSA-N 412.406 0.534 5 20 HBBD O=C(NCCc1ncc[nH]1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643946 YLYXUCSQIHCERK-AAEUAGOBSA-N 409.424 -0.199 5 20 HBBD COCCNC(=O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777860191 RKDQOVCPEGVUCW-UHFFFAOYSA-N 402.385 -0.408 5 20 HBBD N=C(N)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1780233166 SXBWNMLACVAHFA-SJKOYZFVSA-N 407.431 -0.467 5 20 HBBD Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795571747 PFNYTZYBSRREOH-BZBKMWRSSA-N 405.371 -0.286 5 20 HBBD CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1798263134 GEZYLMKQNBQPCQ-NWJSVONSSA-N 424.414 -0.506 5 20 HBBD O=C(Cn1cnnn1)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2 1815680954 UQZSUWKTYNHUFE-ZETCQYMHSA-N 418.399 -0.313 5 20 HBBD NC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 1815823751 VJGYWSFDTKTFKI-LBPRGKRZSA-N 419.402 -0.125 5 20 HBBD COC(=O)[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 429498816 UQMUOCGWHRFWTG-UONOGXRCSA-N 415.424 -0.212 5 20 HBBD CCS(=O)(=O)N(C)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 486655993 KBOBHCPWXQDRIJ-UHFFFAOYSA-N 408.458 -0.729 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500840163 DVSAQEGGTNBZJD-CQSZACIVSA-N 414.440 -0.591 5 20 HBBD Cn1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)cn1 1784574518 LDBIHDIRDPQPKA-QGZVFWFLSA-N 403.399 -0.262 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1ccc(O)c([N+](=O)[O-])c1 1799484025 VAEDTAJGNNJTJA-FVCICTRLSA-N 409.395 -0.488 5 20 HBBD CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840307943 CODVPLLFZCBSOB-PXPSOEEZSA-N 423.426 -0.202 5 20 HBBD C[C@](O)(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CN1CCOCC1 443257102 XQNBFMWBOUOBQV-INIZCTEOSA-N 417.440 -0.273 5 20 HBBD CCOC(=O)c1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1 467315977 ILJGJWACLMAHFW-UHFFFAOYSA-N 414.440 -0.182 5 20 HBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 468358826 WATCJPVZUHFINX-YPMHNXCESA-N 402.429 -0.336 5 20 HBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 472566944 VECPRKZYAZBDEI-UHFFFAOYSA-N 423.401 -0.325 5 20 HBBD C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 474844452 WXLGHOHVXWIJGC-NSHDSACASA-N 422.485 -0.005 5 20 HBBD CNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 493215851 MNEMGJDNHYOZJS-UHFFFAOYSA-N 414.422 -0.047 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] 506127457 ZNECCCRVUNROID-UHFFFAOYSA-N 421.453 -0.519 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 609742296 TZMNSELCUDGMEW-UHFFFAOYSA-N 401.445 -0.496 5 20 HBBD NC(=O)CNC(=S)NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 727065739 WLXUAJMYTBSKEI-UHFFFAOYSA-N 402.458 -0.344 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1785217205 YWBIOMWTGKDFRM-JKOKRWQUSA-N 419.398 -0.487 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)nn1C 1794722710 CTZYVHTVZKNRIV-PTEHBNRSSA-N 403.399 -0.123 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404480 VDKJGRIMEUOKKT-PTEHBNRSSA-N 404.387 -0.797 5 20 HBBD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1798010218 DFSGQKCDWDHBQY-QHBPRCKVSA-N 403.399 -0.205 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2)c1n[nH]cc1[N+](=O)[O-] 1798010503 WJCKEDSLYSMRSJ-BZBKMWRSSA-N 403.355 -0.670 5 20 HBBD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802034824 AJAXRJVZOXQDQO-XFMPKHEZSA-N 422.442 -0.174 5 20 HBBD CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839640375 ZXBFMZQVWHXZJT-SCLBCKFNSA-N 424.458 -0.272 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1[N+](=O)[O-] 23860947 AQOHNMYRAUEVDO-JTQLQIEISA-N 415.428 -0.507 5 20 HBBD O=C1NC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCN2C1=O 447036300 DQTQUUUMQQZWRL-VIFPVBQESA-N 422.341 -0.055 5 20 HBBD CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 465327715 SUVOYCZUTVLPJL-UHFFFAOYSA-N 410.412 -0.156 5 20 HBBD 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COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)cc([N+](=O)[O-])c1OC 1799841705 SHZBMBCCPNLCQA-DRXBFXEBSA-N 408.411 -0.226 5 20 HBBD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828441 RDAVPAFOWYRTKF-SGTLLEGYSA-N 423.426 -0.483 5 20 HBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034395 MSBRUVMIAPIQJE-UHFFFAOYSA-N 422.438 -0.596 5 20 HBBD CS(=O)(=O)c1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 497551582 LBWKHRMOQCFJKO-UHFFFAOYSA-N 412.468 -0.021 5 20 HBBD CN(CC(=O)NC[C@@H]1CS(=O)(=O)CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 509599844 KGKVPZWFNRBYPL-GFCCVEGCSA-N 421.453 -0.855 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 541308084 ACMKBLBSGIJUMW-SNVBAGLBSA-N 407.426 -0.177 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 542257655 TUBTZIWWYQHNFN-VIFPVBQESA-N 407.426 -0.306 5 20 HBBD CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)cn1 770890654 ZLUMUEJVJGFKNN-UHFFFAOYSA-N 415.409 -0.246 5 20 HBBD Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785213770 PLFCFWHKZIFNFH-UBHSHLNASA-N 418.414 -0.787 5 20 HBBD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)co1 1834206803 BNVFHIKSEICMKU-QGZVFWFLSA-N 420.382 -0.002 5 20 HBBD CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836511257 UWJKJFACSCCWJD-KRWDZBQOSA-N 411.415 -0.186 5 20 HBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840012803 DJMXXPLLSKSUIX-YVEFUNNKSA-N 409.399 -0.433 5 20 HBBD O=C(CN1CCOCC1)N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 10095798 XJMABUDXTNDCGL-UHFFFAOYSA-N 417.466 -0.040 5 20 HBBD COC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 429497120 ZGWRVADCJNDOSC-SMDDNHRTSA-N 415.424 -0.354 5 20 HBBD Cn1nnnc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 477083271 INIAPGHZZNBCJJ-NSHDSACASA-N 409.428 -0.165 5 20 HBBD C[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 483042270 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C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1779219745 YREDWBVRGWVGSF-PXAZEXFGSA-N 418.414 -0.311 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1781099271 PBDGAYKKJZDXQG-FRQCXROJSA-N 421.454 -0.286 5 20 HBBD CO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786037 AHDZXHIZILHMAR-FZKQIMNGSA-N 408.411 -0.379 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812632 KZZQRSJFRSVTKH-GVXVVHGQSA-N 404.387 -0.797 5 20 HBBD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)C1CC1 1830602402 UPDYFEHUROJCRG-GOSISDBHSA-N 406.395 -0.028 5 20 HBBD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)n[nH]1 1838658606 QFWUWZBFERUUDV-QGZVFWFLSA-N 419.398 -0.267 5 20 HBBD NC(=O)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27055599 KNGIGBSFZLWSGG-UHFFFAOYSA-N 401.379 -0.240 5 20 HBBD COC(=O)CC[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC 470675365 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CCOCCS(=O)(=O)NCC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 767373310 IPSALOZVMZBPGL-UHFFFAOYSA-N 415.424 -0.017 5 20 HBBD CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 820757811 NKVPARUGXAXUCR-UHFFFAOYSA-N 406.486 -0.062 5 20 HBBD N=C(N)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 1815818526 ZRBLOHWGZPFBSQ-GFCCVEGCSA-N 418.418 -0.310 5 20 HBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832428911 QGMSXPQRSCTXEQ-SFHVURJKSA-N 410.402 -0.309 5 20 HBBD O=C(Cc1cc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836507982 GERIWJZVGFKWRF-KRWDZBQOSA-N 419.398 -0.646 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608170 JXGORIZYDSGNOP-NXKACYDGSA-N 421.410 -0.720 5 20 HBBD O=C(Cc1nc2ncccn2n1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57405150 WQNQRJJVMARFFC-UHFFFAOYSA-N 405.396 -0.330 5 20 HBBD CNC(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 466450460 VRLVTFRLUPKVNM-GFCCVEGCSA-N 414.488 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414.375 -0.407 5 20 HBBD Cn1c(N)c(C(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(=O)n(C)c1=O 514878761 WHMCKWVFRGGOOH-UHFFFAOYSA-N 402.323 -0.726 5 20 HBBD CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655753 FILZNWYQXYQVSJ-DYEKYZERSA-N 401.441 -0.004 5 20 HBBD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cn1 1779383895 VDHFMQZZMNJCFD-KRWDZBQOSA-N 417.382 -0.126 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CC(O)C2)C3)n1 1796717894 PDHBYQIAVFRLLV-JZHMZWLASA-N 420.422 -0.028 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011183 XSFGHFBZBHERQN-WDAIWFPHSA-N 402.367 -0.065 5 20 HBBD COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 32438329 GVNWIZGVIZZXLN-SNVBAGLBSA-N 421.453 -0.425 5 20 HBBD O=C(CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 42994929 IPLASGPHGPRHSN-LBPRGKRZSA-N 405.454 -0.292 5 20 HBBD CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Cc1nc[nH]n1 471221956 ZKVOTWUONCENMY-UHFFFAOYSA-N 423.455 -0.322 5 20 HBBD CS(=O)(=O)NC(=O)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 763458708 YMNJFVRHNNVRSH-UHFFFAOYSA-N 414.396 -0.135 5 20 HBBD C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1779219750 YREDWBVRGWVGSF-YVEFUNNKSA-N 418.414 -0.311 5 20 HBBD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1781777897 MIBIPTGIGQVSOE-AEDCBLDQSA-N 420.426 -0.419 5 20 HBBD Cc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1796658278 CTTQLIBAPRKBBD-GNXNZQSNSA-N 401.383 -0.067 5 20 HBBD NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808262676 XHRLVPBYSWTTPR-DYEKYZERSA-N 402.415 -0.682 5 20 HBBD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793766 BXOOYWVROQPUFD-YEWDVWPNSA-N 424.458 -0.239 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843082402 OEPHCEARMIZHSJ-UHFFFAOYSA-N 401.383 -0.748 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844763635 GQEQQCOXHWRVQE-UHFFFAOYSA-N 414.378 -0.643 5 20 HBBD Cc1c(NC(=O)C(=O)NCC(=O)NCCO)cc(Br)cc1[N+](=O)[O-] 430332091 YFGBPQSDMZRTSC-UHFFFAOYSA-N 403.189 -0.171 5 20 HBBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469097804 ZJMGKVWBKPWRFN-UHFFFAOYSA-N 410.368 -0.412 5 20 HBBD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 577101125 XMWFVFUGUVUZIA-KBPBESRZSA-N 404.427 -0.331 5 20 HBBD CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 609902063 WPGDTEPAXJJVTD-UHFFFAOYSA-N 408.458 -0.236 5 20 HBBD CN1CCC(O)(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 610145898 FPFWJZPYRGMNQE-UHFFFAOYSA-N 415.472 -0.371 5 20 HBBD O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 740790969 SBWNFBBCYMFTPE-UHFFFAOYSA-N 411.378 -0.036 5 20 HBBD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)CC1 1778261248 BCBXZAVSFFVUJV-SFHVURJKSA-N 421.458 -0.991 5 20 HBBD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378317 KWETZEKDCDKEMJ-GTNSWQLSSA-N 408.415 -0.324 5 20 HBBD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1785630427 FRIJYTHFOLNNJN-KRWDZBQOSA-N 407.383 -0.588 5 20 HBBD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1797966353 MYONPZDUJWOFJL-ZWUHOBOKSA-N 424.410 -0.458 5 20 HBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 111019210 FMPDQZJAUIKAHO-GFCCVEGCSA-N 419.394 -0.827 5 20 HBBD C[C@](O)(Cn1ccccc1=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 468297842 ADBRHDCPCSZDAK-KRWDZBQOSA-N 424.435 -0.398 5 20 HBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] 578267892 FILUTUKINNCKNV-INIZCTEOSA-N 416.456 -0.039 5 20 HBBD CN(C)CCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653524 CHLAMKUNTYMLHH-OCCSQVGLSA-N 400.457 -0.261 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619483124 RARKAXRJMTWBQJ-NSHDSACASA-N 400.413 -0.381 5 20 HBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1nc[nH]n1 1777773316 TVTQGWGWOWSSRU-QLJPJBMISA-N 404.387 -0.123 5 20 HBBD NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1777999592 ZVOUREIEBSXRLW-SQGPQFPESA-N 419.482 -0.063 5 20 HBBD C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784599926 JMGUFRTYOVCWMR-BLFANLJRSA-N 408.415 -0.577 5 20 HBBD O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCN1 1802440632 NUEXKYKHXCMAEB-FQUUOJAGSA-N 404.427 -0.044 5 20 HBBD O=C(Cn1nccn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829488477 HPTMPBIHCFQRNF-KRWDZBQOSA-N 420.382 -0.451 5 20 HBBD O=C(NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835869313 PUTZYJGQSPGXBR-UHFFFAOYSA-N 424.458 -0.488 5 20 HBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CN1 1841114572 AKOPPYVGTWRRFL-ZDUSSCGKSA-N 417.422 -0.514 5 20 HBBD O=C(CCN1CCCS1(=O)=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 520011289 KPOAXCMDLRSRNG-UHFFFAOYSA-N 420.469 -0.585 5 20 HBBD CCn1cc(S(=O)(=O)N=c2cc[nH]c(C(=O)N3CCN(C)CC3)c2)c([N+](=O)[O-])n1 537263897 HIIHRTFPPRNOPE-UHFFFAOYSA-N 423.455 -0.184 5 20 HBBD CCN(CC)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 797610975 IGHZGMSEIYARMQ-UHFFFAOYSA-N 421.501 -0.049 5 20 HBBD O=C(NC[C@H](O)CO)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815585533 KEGYIDKWZGYRPT-ZETCQYMHSA-N 409.136 -0.393 5 20 HBBD C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781540237 JYLNSRBBIASOPV-SGTLLEGYSA-N 406.395 -0.122 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cc(=O)cco1 1794999669 MOXCALIQKDQNOL-DDFAGTSDSA-N 403.351 -0.212 5 20 HBBD O=C(c1cc(O)no1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1838106270 STBPZPZYQWWEQE-MRXNPFEDSA-N 422.354 -0.605 5 20 HBBD O=C(Cn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826461 GYLMEIAXOYMFIH-KRWDZBQOSA-N 419.398 -0.715 5 20 HBBD C[C@H](O)CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)CO 443632291 SKXSICZYFTXGPJ-RYUDHWBXSA-N 404.445 -0.354 5 20 HBBD C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 447771789 FYYVVFHJCKSLMR-JTQLQIEISA-N 408.458 -0.731 5 20 HBBD C[C@H]1C(=O)NCCN1C(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2C)cc([N+](=O)[O-])c1 461659495 HBUXWXUZXDCOOM-QWRGUYRKSA-N 403.395 -0.484 5 20 HBBD O=C(NCC(=O)N1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 537383428 JZYYYVRCRHRYGB-UHFFFAOYSA-N 408.367 -0.330 5 20 HBBD C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 578340087 DFTNHSZZZDPWIO-ZDUSSCGKSA-N 404.427 -0.235 5 20 HBBD CS(=O)(=O)N1CCN(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 604537055 LWMOYXBMGAJNED-UHFFFAOYSA-N 414.488 -0.117 5 20 HBBD CN1CCN(S(=O)(=O)N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 750037111 PVNVLOYDOJQGII-KRWDZBQOSA-N 413.500 -0.262 5 20 HBBD CN(C)c1c(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c(=O)n1C 814064644 CSMRTYXEBRLBPT-UHFFFAOYSA-N 419.394 -0.469 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1779279373 ANZIULSDNRKVDA-GTNSWQLSSA-N 406.399 -0.548 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476729 OWKCKBZICUNVGP-AVGNSLFASA-N 403.399 -0.192 5 20 HBBD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000593 VJINLQAJPMMQDY-FVCICTRLSA-N 417.426 -0.089 5 20 HBBD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1795464929 MSSFZXOQNVSMKB-FVCICTRLSA-N 422.413 -0.046 5 20 HBBD CN1CC[C@](O)(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 460269242 JRNIZZRPRQLBGA-HNNXBMFYSA-N 401.445 -0.761 5 20 HBBD COC(=O)c1cn(C2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)nn1 500034550 HKXXQUJNYJZPLM-UHFFFAOYSA-N 417.382 -0.144 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(N3CC(S(C)(=O)=O)C3)c([N+](=O)[O-])c2)CC1 509908606 DDMYWAMCDFCMAQ-UHFFFAOYSA-N 418.497 -0.236 5 20 HBBD C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1S(C)(=O)=O 539534938 ABVWFTCYVUPDCQ-JTQLQIEISA-N 410.408 -0.317 5 20 HBBD CNC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 541988468 IBMBVNQCWPUDFP-ZDUSSCGKSA-N 400.413 -0.763 5 20 HBBD O=C(C1=NN2CCCN=C2N1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 610486979 RGKASMNAYKPSTI-UHFFFAOYSA-N 421.439 -0.594 5 20 HBBD O=C(NCC1(CO)CCC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 612385978 FKXRTFHWGABWRE-JSGCOSHPSA-N 413.452 -0.003 5 20 HBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 748918790 ZCOLTXHQAPDKDF-JQWIXIFHSA-N 401.397 -0.666 5 20 HBBD O=[N+]([O-])c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 792874288 VSBREJJRDLWXNZ-LSDHHAIUSA-N 400.413 -0.222 5 20 HBBD O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)N1 1786674995 NUVVIGLGPZUXPU-YFKTTZPYSA-N 406.399 -0.810 5 20 HBBD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1)n1cncn1 1788813676 RTLKXGIJTHSMIH-MNXVOIDGSA-N 418.414 -0.236 5 20 HBBD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)n1ccnn1 1790640220 NTIFECBYEDOTPX-VOAKCMCISA-N 418.414 -0.236 5 20 HBBD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc1[N+](=O)[O-] 1795538917 PJFKZSLDUSAQHV-ZSBFGKGUSA-N 418.454 -0.482 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010878 JCKZWBKOEJAZAE-YWVIFJGQSA-N 422.442 -0.757 5 20 HBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC=O)ncc1[N+](=O)[O-] 1799291234 SWWPHYMFYZBBIE-NFFDBFGFSA-N 405.411 -0.364 5 20 HBBD CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835386932 XQYHAGKLPTUMCM-KRWDZBQOSA-N 410.431 -0.660 5 20 HBBD O=C(COc1ccc(O)nn1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164521 LXZVIKGLRLUVMN-STQMWFEESA-N 417.382 -0.432 5 20 HBBD CN(C)CCN(CCOCCO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 443302642 ZSILDMPAPZUSMG-UHFFFAOYSA-N 419.456 -0.073 5 20 HBBD O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471322880 NIWKYATTZIWPTH-LSDHHAIUSA-N 408.436 -0.008 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(-n3cnnc3[S@@](C)=O)c([N+](=O)[O-])c2)CC1 510622720 NIQGHESFEJLZQZ-AREMUKBSSA-N 414.469 -0.151 5 20 HBBD NS(=O)(=O)c1cnn(CCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 524578232 JSQLTABBFISROE-NSHDSACASA-N 409.428 -0.063 5 20 HBBD Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccccc3[N+](=O)[O-])n(C)c2n(C)c1=O 789390967 WGSXCARUQZEKBD-UHFFFAOYSA-N 421.391 -0.397 5 20 HBBD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2)C(=O)C(=O)O 1782745321 MMQVASMIYVKRCF-QGZVFWFLSA-N 424.366 -0.826 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2)c1nc[nH]c1[N+](=O)[O-] 1796403356 ROSKUVFWTOPLPW-GNXNZQSNSA-N 415.410 -0.022 5 20 HBBD NC(=O)NCC(=O)N1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1806934756 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O=C(NC1COCCOC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 590429975 WPWASHZLKAKIBU-JSGCOSHPSA-N 415.424 -0.750 5 20 HBBD CN(CC(=O)NCCCN1C(=O)CCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609988602 OCEHLCUYMVSONA-UHFFFAOYSA-N 412.424 -0.129 5 20 HBBD Cn1nnnc1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 611315838 JHUQBVVWDMVNAQ-GFCCVEGCSA-N 423.455 -0.122 5 20 HBBD COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383965 YTVOYIZXDIEJGB-KRWDZBQOSA-N 419.398 -0.183 5 20 HBBD O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1785389359 KSHBCNYIHKEYRK-YDHLFZDLSA-N 415.410 -0.056 5 20 HBBD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)no1 1794058886 QZHCBZGSWOYFJR-WDAIWFPHSA-N 405.371 -0.545 5 20 HBBD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1833235060 LFNYMGLQJROAAI-QGZVFWFLSA-N 419.398 -0.565 5 20 HBBD Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1833837946 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Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 1794006021 GEFXPHBDXOOVMC-ZSBFGKGUSA-N 417.426 -0.643 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)c1ccc([N+](=O)[O-])[nH]1 1798748928 FVQXSLSNCYTYOP-DRXBFXEBSA-N 403.399 -0.192 5 20 HBBD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)N1 1829484589 KQUFDUZLSXSALM-KZULUSFZSA-N 422.394 -0.464 5 20 HBBD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829626594 JUMZPSPCWVYKGB-KUHUBIRLSA-N 407.423 -0.026 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1839719244 MKDQGBWEKUJHBT-LJQANCHMSA-N 420.422 -0.377 5 20 HBBD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)COC1 1839777468 RVBWKAHNMMDPKY-SFHVURJKSA-N 423.426 -0.186 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840012607 QURXYKKHRXYQGZ-YJBOKZPZSA-N 423.426 -0.573 5 20 HBBD O=C(NC1CC1)C(=O)N1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 500289074 INVGFRVGVGMRPJ-HNNXBMFYSA-N 415.406 -0.351 5 20 HBBD COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1=O 500335737 YHHNUFSWKDQAST-NSHDSACASA-N 408.367 -0.178 5 20 HBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 501721749 NKMANPYKYFMBJY-UHFFFAOYSA-N 406.399 -0.690 5 20 HBBD CCN(CC)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 525825851 GUMALRKEZRARAL-UHFFFAOYSA-N 422.485 -0.339 5 20 HBBD Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1[N+](=O)[O-] 532244547 SBPDNCIVXXZUKO-UHFFFAOYSA-N 411.444 -0.175 5 20 HBBD O=C(NS(=O)(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 747745572 AHRNUQWUELHEIJ-JTQLQIEISA-N 418.453 -0.046 5 20 HBBD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)=NN1 1779307764 UXRAOWLSSSDFIJ-FZKQIMNGSA-N 418.410 -0.074 5 20 HBBD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809627 GDIPOEPGCFZPEB-MNXVOIDGSA-N 422.442 -0.174 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801252645 GIOJTXNESTZRAZ-BTTYYORXSA-N 415.410 -0.314 5 20 HBBD C[C@H](CN)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833785165 LLAQIZWWGPZHDY-CQSZACIVSA-N 421.502 -0.042 5 20 HBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCS1(=O)=O 484086561 UXDGNEQMHPXAGI-CYBMUJFWSA-N 405.454 -0.043 5 20 HBBD CS(=O)(=O)N1CCC(CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 555579841 UFIBIMGXEFNJSO-UHFFFAOYSA-N 420.469 -0.356 5 20 HBBD CCNC(=O)CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 588676604 DVGZXYATVVGDGY-UHFFFAOYSA-N 413.456 -0.034 5 20 HBBD CN(C)S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 604287478 ZAAPNSNOLMGMJV-CQSZACIVSA-N 411.440 -0.349 5 20 HBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])n(C)n1 1798007723 BEJBPUXAUGRVRB-WDAIWFPHSA-N 419.398 -0.423 5 20 HBBD CNS(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 438892883 BGDMIMNLMFFGAT-UHFFFAOYSA-N 421.501 -0.508 5 20 HBBD CN(CC(=O)N1CCOCC1)C(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O 534400256 KQPVJEBZANGWCT-UHFFFAOYSA-N 405.367 -0.271 5 20 HBBD COCCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 609451704 OHXVMIPOJUVLPT-UHFFFAOYSA-N 417.426 -0.304 5 20 HBBD Cn1cc(N2CC[C@H](NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2=O)cn1 609788613 JTWBISZXQXQFES-LBPRGKRZSA-N 412.362 -0.154 5 20 HBBD CNC(=O)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611640950 ISRBJHHGWKPMNH-AAEUAGOBSA-N 414.440 -0.687 5 20 HBBD C[C@@H]1CN(CCNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 726257268 NUPQGTNFQIFXEE-CYBMUJFWSA-N 415.472 -0.107 5 20 HBBD O=C(NCCS(=O)(=O)N1CCOCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 727308851 ACERMQPTMXZRAG-UHFFFAOYSA-N 401.397 -0.242 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 779423643 MYTIAVBDWUJAMG-LLVKDONJSA-N 419.387 -0.197 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787479848 IRMYZSXTLJNUFX-AVGNSLFASA-N 418.414 -0.407 5 20 HBBD Nc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)cs1 1795662092 XIFDCPWJCSATJC-AKZRSSKFSA-N 407.412 -0.126 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2)c1nc[nH]c1[N+](=O)[O-] 1796401672 RLRDJUBQBFLGII-DIYOJNKTSA-N 417.325 -0.369 5 20 HBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296874 GOGGNMTYKKCNNW-QGZVFWFLSA-N 420.422 -0.232 5 20 HBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032879 OLWVLBBQMWFRFI-DUXPYHPUSA-N 422.438 -0.309 5 20 HBBD O=C(NCCCN1CCOCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 523985370 DVTNTYAXEWASQQ-UHFFFAOYSA-N 415.472 -0.105 5 20 HBBD CN1CCN(C(=O)c2cc(C(=O)N3CCN(C)C(=O)C3)cc([N+](=O)[O-])c2)CC1=O 545895063 DLVAKPJHACUYIN-UHFFFAOYSA-N 403.395 -0.577 5 20 HBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 610060842 LSIPVFMTVSHUFL-NWDGAFQWSA-N 413.456 -0.255 5 20 HBBD 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CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797923379 PCAANZWKNAFGPZ-NRWUCQMLSA-N 422.442 -0.174 5 20 HBBD COc1cc(OCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 148058589 SPPLIWCWZZHYKA-UHFFFAOYSA-N 402.429 -0.067 5 20 HBBD CS(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1[N+](=O)[O-] 513806586 LOVAJODVIDSDFJ-UHFFFAOYSA-N 401.441 -0.235 5 20 HBBD COc1cc(OCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] 519057268 PKZMCEJOWDZPFU-UHFFFAOYSA-N 405.371 -0.660 5 20 HBBD COCCCS(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 546053024 JEIBPGGMMPZOSA-UHFFFAOYSA-N 422.485 -0.270 5 20 HBBD O=C(NCCCN1CCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 559348282 CYXJWWNZXQKESW-UHFFFAOYSA-N 404.427 -0.233 5 20 HBBD COCCNC(=O)CN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 603931056 YLNUHLJBGDZCEN-UHFFFAOYSA-N 401.445 -0.873 5 20 HBBD CNC(=O)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641426 CPDVBXYYIUPNTN-YPMHNXCESA-N 414.440 -0.639 5 20 HBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 613144237 IJCPIMDDBALRJL-DZGCQCFKSA-N 415.468 -0.040 5 20 HBBD CC(=O)N1CCN(c2ccc(C(=O)OCCNS(C)(=O)=O)cc2[N+](=O)[O-])CC1 730599092 XJGINHLZIZKWNT-UHFFFAOYSA-N 414.440 -0.031 5 20 HBBD Cc1c(C(=O)NCCc2nnc(S)n2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 746223932 IVYWFQVFIKJHBW-UHFFFAOYSA-N 400.442 -0.060 5 20 HBBD Cn1cc(CS(=O)(=O)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 761222408 ATLLIFZHGUOJMN-UHFFFAOYSA-N 408.440 -0.013 5 20 HBBD CN(CC(=O)NS(=O)(=O)C[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 781504663 ULPSJFMBZNIKEQ-LBPRGKRZSA-N 421.453 -0.160 5 20 HBBD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1[N+](=O)[O-] 1785180191 JFNAORDYLYBOJX-UGSOOPFHSA-N 407.427 -0.667 5 20 HBBD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1793284566 UELDXOSDLKGZOU-CULMDFNYSA-N 421.410 -0.662 5 20 HBBD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1836295719 REDTYKBWDVFRGG-QGZVFWFLSA-N 420.382 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CC(C)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835476323 SZTSLSAHGMMTKT-QGZVFWFLSA-N 413.406 -0.004 5 20 HBBD NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869911 XJUXCMOULLMXPW-UHFFFAOYSA-N 422.446 -0.829 5 20 HBBD Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837796901 HSMJXJWIWATQLC-KRWDZBQOSA-N 420.382 -0.002 5 20 HBBD CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])c(NC[C@@H]3CN(C)CCN3C)n2)C1 434100191 QGTLYUKOVOTAJS-HZPDHXFCSA-N 406.535 0.305 5 20 HBBD Cc1c(C(=O)NC[C@](C)(O)CN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 434329498 ZLURDMRCPAZTSS-INIZCTEOSA-N 416.456 -0.636 5 20 HBBD O=C1NC(=O)[C@@]2(CCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)N1 447756772 HENZNCGPRHSQLO-KRWDZBQOSA-N 403.351 -0.479 5 20 HBBD C[C@H]1CN(S(=O)(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 472441868 DHMAYTFWXTZVAD-KBPBESRZSA-N 402.477 -0.237 5 20 HBBD CC(C)C(=O)N[C@@H](CO)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 486409613 XNXIACQKESEVGS-NSHDSACASA-N 402.429 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402.433 -0.570 5 20 HBBD COCCN(C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 562477914 FWGPXNYEVCEDNF-OAHLLOKOSA-N 416.500 -0.160 5 20 HBBD CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 574266779 OVUOXRSYPBYNNY-UHFFFAOYSA-N 421.501 -0.277 5 20 HBBD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)ncc1[N+](=O)[O-] 1778941818 HCHZWSRUZXFFGV-GOSISDBHSA-N 416.394 -0.382 5 20 HBBD Nc1n[nH]c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1798306909 ZOMGGZWHAHYFKR-ZSBIGDGJSA-N 417.430 -0.237 5 20 HBBD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cncn1 1801357953 XPPJFHOHORHDFS-HNCHTBHHSA-N 404.387 -0.626 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)c1 1835550663 JNRGLJKAKACQOS-IBGZPJMESA-N 421.454 -0.311 5 20 HBBD CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835886448 XAKROPOVLVKGDK-GOSISDBHSA-N 424.458 -0.224 5 20 HBBD 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NC(=O)COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 433053272 ONMKSBPKJVPYHS-LBPRGKRZSA-N 414.440 -0.386 5 20 HBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 484550022 DXXKNVVSLJRUOP-LLVKDONJSA-N 408.410 -0.436 5 20 HBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 542985595 GFYOAODGYWVSEG-CQSZACIVSA-N 405.411 -0.514 5 20 HBBD CC(C)NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 760622501 DFLCMGYTMUDQOK-UHFFFAOYSA-N 415.472 -0.006 5 20 HBBD O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCO3)C2)=NN1 1778935622 JJWYXMHYMHXSRP-ZDBPOJEVSA-N 417.378 -0.093 5 20 HBBD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)CCN1 1791344328 FVUZDLYCADUOQD-VOAKCMCISA-N 420.426 -0.563 5 20 HBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)N1 1842798466 TXSHIAJOUWEKFM-GFCCVEGCSA-N 403.395 -0.762 5 20 HBBD Nc1n[nH]c(CCC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1844182789 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ANAXBZNARFLEON-UHFFFAOYSA-N 410.408 -0.963 5 20 HBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 572795547 BETMJZCATDGDOR-GFCCVEGCSA-N 403.465 -0.249 5 20 HBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 604145261 COJVKINRNQOMCT-UHFFFAOYSA-N 403.395 -0.174 5 20 HBBD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620159 KTMAPVBTZZAQPB-SNVBAGLBSA-N 404.426 -0.412 5 20 HBBD COCCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733054034 RMDWDJUNKZFYHE-CYBMUJFWSA-N 421.453 -0.160 5 20 HBBD CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738673497 IXSGTIFCFHIIFH-JTQLQIEISA-N 416.412 -0.007 5 20 HBBD CN(CC(=O)NS(=O)(=O)[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739185759 IXFJNNILRCBFNW-LBPRGKRZSA-N 407.426 -0.550 5 20 HBBD COC(=O)[C@H](Cn1ccnc1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 807280811 LJROFFPOTBDKMM-LBPRGKRZSA-N 403.351 -0.125 5 20 HBBD Cc1n[nH]cc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1780276065 NBRNPQDKHJIWNH-QGZVFWFLSA-N 403.399 -0.033 5 20 HBBD CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1784746112 XHJMDMWYRUHRST-HNNXBMFYSA-N 415.428 -0.804 5 20 HBBD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1790558855 NGCFMVDSLCLLNH-QNDIEEQDSA-N 420.426 -0.049 5 20 HBBD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)nn1C 1793130289 UDTYZSPWYMKNDT-DRXBFXEBSA-N 417.426 -0.194 5 20 HBBD O=C(Cc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794164973 MRNWZKZYBGQERO-DABQJJPHSA-N 401.383 -0.446 5 20 HBBD COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1798637466 VERWWTKQSSNNGX-FQLMCAECSA-N 422.442 -0.419 5 20 HBBD O=C(Cn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1836203763 NHTXTVHEAHSAEB-KRWDZBQOSA-N 420.382 -0.451 5 20 HBBD O=C(Cn1cccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826433 FIOSHTFODXUJSP-GOSISDBHSA-N 418.410 -0.110 5 20 HBBD CC(C)NC(=O)CN(C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 489508096 OBNWCUHMFBMWMB-UHFFFAOYSA-N 415.472 -0.554 5 20 HBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 517426946 WWUSIFVVIPNVBR-UHFFFAOYSA-N 411.396 -0.228 5 20 HBBD Cn1cc(/C=C\C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 756309306 HXVSHKYXBJRKTM-BAQGIRSFSA-N 422.419 -0.405 5 20 HBBD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781552161 VQJIZEXKJDZCIL-QGZVFWFLSA-N 408.390 -0.340 5 20 HBBD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)CN1 1792350725 NKZUUEYVZBJKSS-LSSIXWDNSA-N 406.395 -0.083 5 20 HBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-] 1796027881 CEUBTDJJTHLLSP-GNXNZQSNSA-N 401.383 -0.067 5 20 HBBD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)c1cccnc1 1843388534 SGUMDEGTFWMCBJ-UHFFFAOYSA-N 413.394 -0.040 5 20 HBBD O=C(NCCCCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 468490087 VGVVUUZWGVCUQB-OCCSQVGLSA-N 401.441 -0.003 5 20 HBBD O=C(c1cc([N+](=O)[O-])cnc1O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 507410121 XUZVZOYYONZRRE-GFCCVEGCSA-N 400.413 -0.038 5 20 HBBD CCOc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])cc1OC 515595922 RLDXGRRZLRDHMP-UHFFFAOYSA-N 419.398 -0.027 5 20 HBBD CC(=O)N1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 517870783 IPHYMKAYTNUUQJ-UHFFFAOYSA-N 414.440 -0.192 5 20 HBBD Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] 522856111 FPADTLBOGGAMMX-OAHLLOKOSA-N 424.479 -0.036 5 20 HBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 543186947 XNXDCRCITWOVMU-UHFFFAOYSA-N 404.353 -0.282 5 20 HBBD CN(CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 568924909 DTXJAHFVABJJEH-AWEZNQCLSA-N 424.479 -0.002 5 20 HBBD CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 610652492 HKCOGOLRXVFXCY-UHFFFAOYSA-N 411.484 -0.325 5 20 HBBD Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 765517223 XEOXYFAXBKRUPE-GFCCVEGCSA-N 404.470 -0.063 5 20 HBBD Cn1ncc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 806001761 XGVZHQRSOGBCDH-UHFFFAOYSA-N 409.428 -0.061 5 20 HBBD Cn1c(=O)ccn(CC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1=O 920330692 BIFPRGTZMPRBJN-UHFFFAOYSA-N 402.772 -0.386 5 20 HBBD CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382486 TXYIYGSXLXYAKM-HWPZZCPQSA-N 409.403 -0.792 5 20 HBBD Cc1nccn1CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388871 JAILTXUEFAKEHN-QGZVFWFLSA-N 403.399 -0.033 5 20 HBBD CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1794278432 PCAGTXXMZWWLGJ-MUJYYYPQSA-N 419.486 -0.323 5 20 HBBD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)cc1[N+](=O)[O-] 1799328945 JDBJTRWZWNXHBM-KRXQYRFLSA-N 405.455 -0.679 5 20 HBBD O=C1C=CC(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847949394 WVMDONQZPMROIO-KBPBESRZSA-N 416.394 -0.692 5 20 HBBD Cn1cc(C[C@H](O)C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 468525356 VXNVLMVEHHDDCR-HNNXBMFYSA-N 411.440 -0.137 5 20 HBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 487989527 QKHVLMRKWMMFOI-CABCVRRESA-N 405.477 -0.475 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 545466123 XBDUTXPTYPPWEW-CQSZACIVSA-N 415.424 -0.195 5 20 HBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2nccc21 586840146 IXVHVZLWIXHGSG-YPMHNXCESA-N 407.408 -0.038 5 20 HBBD O=C(N[C@@H]1CCOC1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 588045950 XVIRWSISCBHDIZ-GFCCVEGCSA-N 412.424 -0.667 5 20 HBBD C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 814040586 HOSGBLQJSPQQGV-AAEUAGOBSA-N 408.454 -0.023 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1782782279 GFKFJICQVKSJJU-GOSISDBHSA-N 417.378 -0.112 5 20 HBBD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)o1 1795789722 ULRLZPSBEZJXCQ-DDFAGTSDSA-N 405.371 -0.545 5 20 HBBD NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1802164508 TWUHDMDZUQZXPP-DPIQGUFMSA-N 423.401 -0.466 5 20 HBBD CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840307942 CODVPLLFZCBSOB-HNSSHINMSA-N 423.426 -0.202 5 20 HBBD N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999335 VBOMKSUDDSCNCC-INIZCTEOSA-N 413.438 -0.040 5 20 HBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 469494951 AETRRJUUEGMLQD-UHFFFAOYSA-N 417.426 -0.114 5 20 HBBD CN(CC(=O)N(CC(N)=O)CC(N)=O)c1cc(Br)ccc1[N+](=O)[O-] 796038570 SRLIONVCPMKHSG-UHFFFAOYSA-N 402.205 -0.407 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1832793129 DWNAHJMCQZWJDN-JKIFEVAISA-N 411.390 -0.394 5 20 HBBD O=C(Cn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825880 WVGQILXPSFHSFU-SFHVURJKSA-N 418.410 -0.110 5 20 HBBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1840897532 IULGDGLCYJFGJT-UEKDZROGSA-N 421.406 -0.625 5 20 HBBD O=C(O)c1cc(C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)ncn1 1842216967 XASAJHCUTIZQSO-UHFFFAOYSA-N 401.339 -0.063 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 56056949 PENVZBQCWCRFMD-VIFPVBQESA-N 409.417 -0.342 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 443054213 YXERYVNDHQMQHI-ZDUSSCGKSA-N 401.397 -0.336 5 20 HBBD C[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 483043916 FDQWQZFPOIQQPU-KRWDZBQOSA-N 412.468 -0.116 5 20 HBBD CS(=O)(=O)c1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 485171504 YNRSUWYIGGXWHZ-STQMWFEESA-N 419.481 -0.722 5 20 HBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 502841666 IEMADNOYPRZHOX-UHFFFAOYSA-N 410.412 -0.905 5 20 HBBD O=C(CN1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 608903277 PFFUHZLGMUTHEO-OAHLLOKOSA-N 412.468 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Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1O 1794000594 FLIXLUMONOFJHK-CULMDFNYSA-N 419.398 -0.866 5 20 HBBD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801025249 DIHYFHREXWPXBV-WRWGMCAJSA-N 413.456 -0.365 5 20 HBBD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1cccn1 1801382968 WQWNZDFVNRQVNQ-FVCCEPFGSA-N 403.399 -0.021 5 20 HBBD O=C(COCCO)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)CC2 1822983043 AZVBYMSZXWVPIG-JTQLQIEISA-N 424.439 -0.131 5 20 HBBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471318928 WIEPCRWWOOFGBF-SJORKVTESA-N 422.463 -0.079 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 498851189 CTTSMRZBZJSWST-CQSZACIVSA-N 415.424 -0.195 5 20 HBBD O=C(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)NCCN1CCOCC1 520304555 RVVCPZYECCLCSD-UHFFFAOYSA-N 402.411 -0.041 5 20 HBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 531605372 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HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1794006591 PWMFQFJPANDAIJ-FVCICTRLSA-N 416.394 -0.205 5 20 HBBD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1)n1cnnn1 1798749014 JUEQAIQTCBQLJW-DYNIEEOBSA-N 404.387 -0.626 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 146230497 MXSRZTISWLDHEL-UHFFFAOYSA-N 406.395 -0.253 5 20 HBBD COC(=O)CNC(=O)c1ccc(N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 433793114 MFEIGYZGOBRATQ-AWEZNQCLSA-N 410.427 -0.373 5 20 HBBD CN(C)S(=O)(=O)c1ccc(N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 477123342 SIWLRDVSQNVWGI-UHFFFAOYSA-N 421.501 -0.744 5 20 HBBD NS(=O)(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 541351573 RPJUCSZLBLSORV-LBPRGKRZSA-N 406.486 -0.126 5 20 HBBD COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1[N+](=O)[O-] 545955467 SSFVZCGXSNKIEE-UHFFFAOYSA-N 410.412 -0.203 5 20 HBBD Cc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 572445176 XFULZNILPMGBLB-SNVBAGLBSA-N 401.445 -0.653 5 20 HBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2nccc21 586840145 IXVHVZLWIXHGSG-AAEUAGOBSA-N 407.408 -0.038 5 20 HBBD O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 588108458 VFIOMAFWSIDVJN-AWEZNQCLSA-N 407.427 -0.192 5 20 HBBD CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619483123 RARKAXRJMTWBQJ-LLVKDONJSA-N 400.413 -0.381 5 20 HBBD CN(CC(=O)NCCc1nnc(S)n1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737837830 LSCBWIWQSPNXNC-UHFFFAOYSA-N 414.469 -0.009 5 20 HBBD Cn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 740790172 BTDMPSLYAVGUDF-UHFFFAOYSA-N 401.379 -0.410 5 20 HBBD NC(=O)c1ccc(COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 745484199 TWFVIOXCAUMNON-GBOPCIDUSA-N 403.347 -0.101 5 20 HBBD NC(=O)c1ccc(COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c([N+](=O)[O-])c1 785663874 ZFQYPUZJXZTART-HNNXBMFYSA-N 420.422 -0.082 5 20 HBBD O=C(CCn1cc[nH]c(=O)c1=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 819207277 FTWXYIBHTPPDLW-UHFFFAOYSA-N 401.379 -0.181 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1782782683 RCXCBACPSGPUQY-KSMMKXTCSA-N 420.422 -0.643 5 20 HBBD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1cncn1 1784472600 XFTDBEDUQAGEON-GUYCJALGSA-N 418.414 -0.526 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798749421 NDAZHTYGEXPWIM-DZJQYVJYSA-N 405.411 -0.253 5 20 HBBD NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1808270643 ZRKOQCWSQCQOAY-TYNCELHUSA-N 402.415 -0.682 5 20 HBBD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1842879062 NCUDJCDFODSMBE-HNNXBMFYSA-N 403.439 -0.067 5 20 HBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 52719342 DSPGFLLVUQFZOH-OCCSQVGLSA-N 401.441 -0.430 5 20 HBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N[C@H]1CCCN(CCO)C1=O 442269453 GAZRZJKPEXQVAF-NSHDSACASA-N 422.394 -0.206 5 20 HBBD CCN1C(=O)[C@H]2CN(C(=O)CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCN2C1=O 610600963 GGHIRCXUENQWHK-CYBMUJFWSA-N 419.394 -0.172 5 20 HBBD O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611645136 UDHOJXZXNJHJNJ-NEBZKDRISA-N 413.452 -0.004 5 20 HBBD CC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785399 HMGDFWLCWVZSEY-RDTXWAMCSA-N 408.411 -0.643 5 20 HBBD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 1794000649 XNKLZUIIOQPAOR-FVCICTRLSA-N 417.426 -0.089 5 20 HBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798517959 OMSQLZHRWMEVLD-VZAMPYOESA-N 419.438 -0.981 5 20 HBBD O=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1837799787 DKBJAKUNIZQIFQ-QGZVFWFLSA-N 407.383 -0.633 5 20 HBBD CC1(C)C(=O)NC(=O)N1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 461977530 OENVWQDFNILBRI-UHFFFAOYSA-N 413.412 -0.680 5 20 HBBD Cc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)no1 536104331 ZCNGASWLMAKLAH-UHFFFAOYSA-N 424.439 -0.091 5 20 HBBD C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 609969415 PJFATTSZQVMTQZ-LBPRGKRZSA-N 414.440 -0.421 5 20 HBBD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794275557 HUZVCTNSNOGEFY-LSCVPOLPSA-N 419.398 -0.972 5 20 HBBD O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795448527 MVOZDNIULJUGCC-IVWMJMPLSA-N 420.426 -0.997 5 20 HBBD O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795469059 UDOIDSXNSXZSJU-YWVIFJGQSA-N 422.442 -0.757 5 20 HBBD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)cc1[N+](=O)[O-] 1835551374 HOUMTIMMPNMLJR-IBGZPJMESA-N 406.439 -0.139 5 20 HBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCN(C)CC1 1842000173 WKLRGUWPOYHAQR-OAHLLOKOSA-N 419.486 -0.369 5 20 HBBD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1844757801 NZNMGOUXDFZYDT-UHFFFAOYSA-N 415.366 -0.173 5 20 HBBD C[C@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823857 XDYYATLQZJQSET-GFCCVEGCSA-N 405.411 -0.529 5 20 HBBD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825532 MOFSNESOJXBTIM-UHFFFAOYSA-N 407.383 -0.684 5 20 HBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 485904555 GJEVIGXJVMVMBN-CYBMUJFWSA-N 403.461 -0.001 5 20 HBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1OC 518399148 ICCKSMLLKVGJIQ-UHFFFAOYSA-N 418.428 -0.410 5 20 HBBD NC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 557006360 FVZUDWXOVMHHOI-BBRMVZONSA-N 412.424 -0.803 5 20 HBBD CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 611644731 NKNAHMCJKRQLSD-YPMHNXCESA-N 412.424 -0.981 5 20 HBBD CCOC(=O)CN(C)C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 782179556 NJEVJDKUHXBLKZ-UHFFFAOYSA-N 409.351 -0.115 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782934163 PWZLBSDVCDCLNL-LXIYXOSZSA-N 408.386 -0.056 5 20 HBBD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010772 NGHATVYAXHJFJR-UTZFUISPSA-N 406.399 -0.439 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)c1cc([N+](=O)[O-])cc2c1OCC2 1798518333 LLFAEHFUJDVZEQ-GNXNZQSNSA-N 407.379 -0.956 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H]1CCCOC1 1802071968 GOFUSVMWQCMRGD-VWPFQQQWSA-N 407.427 -0.193 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)=O)CCO3)C2)n1 1834714725 ICZXHIJCPXRAFS-SFHVURJKSA-N 422.394 -0.343 5 20 HBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1835544331 GXCUZIRAQITQRV-GOSISDBHSA-N 410.402 -0.309 5 20 HBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1836510928 NYJCJRLJAMYIFA-UGSOOPFHSA-N 423.426 -0.186 5 20 HBBD CC[C@H](C)[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 438982962 YSKLHHCLNZMKFC-KSSFIOAISA-N 423.470 -0.264 5 20 HBBD CNC(=O)N[C@H]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[C@@H](NC(=O)NC)C3)n2)C1 466461935 FVJLZCRRLUPPNT-NEPJUHHUSA-N 421.462 -0.291 5 20 HBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 481011448 SGXLXKIYIQABLA-JTQLQIEISA-N 411.440 -0.076 5 20 HBBD CCOC(=O)c1ccnc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 485162606 RRTGZOUXYARFQB-STQMWFEESA-N 414.440 -0.554 5 20 HBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN1CCNC(=O)C1 510941925 VYGSFZNFUOTXKV-NSHDSACASA-N 413.456 -0.413 5 20 HBBD CN(C)C(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 604524310 GUJIDFRQZKGNNM-UHFFFAOYSA-N 406.443 -0.374 5 20 HBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)NCCN1CCOCC1 609493680 SQAMDEDJBUKGNY-CYBMUJFWSA-N 407.427 -0.722 5 20 HBBD CC(C)N(CCCNC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C)S(C)(=O)=O 766966186 AWPXDDFPYNNBKS-UHFFFAOYSA-N 405.433 -0.339 5 20 HBBD CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779394446 CEBNFHASTQQRJW-WBMJQRKESA-N 413.456 -0.125 5 20 HBBD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1)n1cnnn1 1784600114 XNZBIKUTRBWCLU-MEBBXXQBSA-N 405.375 -0.991 5 20 HBBD Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000311 LZRKQTIKATVUNL-JJLQDPRZSA-N 403.399 -0.572 5 20 HBBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 514633297 PMATUUYFOOOIKG-UHFFFAOYSA-N 414.440 -0.038 5 20 HBBD Cn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O 541960780 YCKYFYNLBXEJAG-UHFFFAOYSA-N 423.407 -0.673 5 20 HBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 778897247 VJCDYGBVQGOBLE-UHFFFAOYSA-N 422.394 -0.287 5 20 HBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 795089271 PYXLYZNPRLICPK-UHFFFAOYSA-N 409.442 -0.456 5 20 HBBD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)CCCN1 1785218142 WUGGTKGRFDCSEC-QBWPOKONSA-N 420.470 -0.087 5 20 HBBD CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796754557 QVSURPOWNMHFIF-OPDFLTKYSA-N 407.431 -0.124 5 20 HBBD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)c([N+](=O)[O-])c1 1839232764 AKUXVEZJEZVVDV-LJQANCHMSA-N 422.438 -0.439 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839754926 KWUGRHNHEDWZRT-MRXNPFEDSA-N 411.390 -0.250 5 20 HBBD Cn1nc(C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1O 1842192421 CCQNHGSDTWMINP-UHFFFAOYSA-N 416.394 -0.287 5 20 HBBD CS(=O)(=O)N1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 498413645 KXOWUONRYBQDSV-ZDUSSCGKSA-N 413.456 -0.066 5 20 HBBD COC(=O)CNC(=O)c1ccc(N2CCN(C(=O)CN(C)C)CC2)c([N+](=O)[O-])c1 506825655 RVHMCECJKSENJE-UHFFFAOYSA-N 407.427 -0.292 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 520333383 VPTBNJKBHKGNGL-AWEZNQCLSA-N 420.426 -0.753 5 20 HBBD C[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 530413564 QCQCOYKZUQRVFB-HIFRSBDPSA-N 412.468 -0.117 5 20 HBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N(C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] 564539590 AAXVURKDZAPDSW-HUUCEWRRSA-N 416.456 -0.089 5 20 HBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CCN2CCOCC2)C1 609681433 JNKBJYBOXBUCEP-INIZCTEOSA-N 405.455 -0.153 5 20 HBBD COC[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655767 FSVBBEFHEMLWMM-BZPMIXESSA-N 417.440 -0.768 5 20 HBBD CN1C(=O)c2ccc(S(=O)(=O)NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2C1=O 785962626 FCHHIMFQDKORDT-UHFFFAOYSA-N 407.364 -0.088 5 20 HBBD O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 1319745407 OENPBFQLRQCXTL-IRXDYDNUSA-N 424.479 -0.741 5 20 HBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1778062705 PVSNKKPSYOHSKS-SJKOYZFVSA-N 418.414 -0.263 5 20 HBBD O=C(c1cc(CO)on1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779384097 ZDGCWEMQTUJOLA-INIZCTEOSA-N 406.355 -0.445 5 20 HBBD O=C(O)CSCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783958545 LXWQIXSTRGPQSH-OAHLLOKOSA-N 413.412 -0.421 5 20 HBBD C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26484879 FWTJTOYLAPKLHG-LLVKDONJSA-N 417.426 -0.637 5 20 HBBD Cn1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 435865215 OYTIPNXLSRVNQB-UHFFFAOYSA-N 401.335 -0.102 5 20 HBBD COC(=O)[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 471751509 ZSCZLZIKXUKQNG-CYBMUJFWSA-N 401.397 -0.336 5 20 HBBD O=C1NC[C@H]2CN(c3ccc([N+](=O)[O-])c(N4CCN5C(=O)NC[C@H]5C4)n3)CCN12 477823887 PPZDCKACLQWXME-RYUDHWBXSA-N 402.415 -0.583 5 20 HBBD COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 517721726 JFIVYCWBHJZUGZ-SNVBAGLBSA-N 421.453 -0.473 5 20 HBBD NS(=O)(=O)c1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 603932705 VEUJVDGXMCYKDP-UHFFFAOYSA-N 411.440 -0.487 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1C(=O)CCC1=O 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cnc[nH]1 1794716239 ICUSPHBCEFOZFF-DRXBFXEBSA-N 416.394 -0.617 5 20 HBBD COCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 138200960 DVEFVZSPPNOPLC-UHFFFAOYSA-N 414.440 -0.420 5 20 HBBD CN(C)S(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 461648080 OXTMUKQLAODBOZ-UHFFFAOYSA-N 408.458 -0.729 5 20 HBBD CNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 518690134 MBSGERZHRKRRSP-UHFFFAOYSA-N 413.456 -0.847 5 20 HBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 536612586 WGHSZHRXFQUYAR-CQSZACIVSA-N 413.456 -0.066 5 20 HBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 537286751 KSKOWNLWJOGDLG-CYBMUJFWSA-N 416.456 -0.975 5 20 HBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 575078432 GTDIBZYBGMJBGN-GHMZBOCLSA-N 400.413 -0.058 5 20 HBBD CNC(=O)Cn1nc(NC(=O)C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C 582696429 FLDIULPTTIEFFR-UHFFFAOYSA-N 416.394 0.205 5 20 HBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045321 MQVDSAWXOONENV-NJSLBKSFSA-N 420.422 -0.533 5 20 HBBD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)ccc1[N+](=O)[O-] 1783871337 HFZUMQWSGXOFDP-HUBLWGQQSA-N 409.395 -0.493 5 20 HBBD CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1783993741 GHXHLQVEAUTOIE-SCLBCKFNSA-N 408.411 -0.379 5 20 HBBD CN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CC1 1792551882 OKFBAYQCGFEDTJ-AGGWBTHJSA-N 406.443 -0.137 5 20 HBBD N=C1NCCN1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794276783 KCLXAFRUBLPMMA-CLLJXQQHSA-N 404.431 -0.731 5 20 HBBD N=C(N)NCC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810631353 GBRVFHRYDZCHFB-IAQYHMDHSA-N 415.414 -0.484 5 20 HBBD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)co1 1834209560 BASMKVSVPQOSEG-KRWDZBQOSA-N 420.382 -0.002 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 14936509 GJKMUCRIDBSRJW-UHFFFAOYSA-N 411.400 -0.877 5 20 HBBD O=C(CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1)NC1CC1 25394519 MKSKWLVMAFWLTM-UHFFFAOYSA-N 417.422 -0.257 5 20 HBBD Cc1c(C(=O)NCCC(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 468553919 MALRTWWMVOQKBC-UHFFFAOYSA-N 400.413 -0.471 5 20 HBBD COc1cc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 469045204 SJBJLPKHLIRQFQ-JTQLQIEISA-N 421.453 -0.473 5 20 HBBD CNC(=O)NC(=O)CCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 507727645 RYGMPVCJRFDSTN-UHFFFAOYSA-N 413.456 -0.034 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 518916608 JJGNFVKBQBWUEG-AWEZNQCLSA-N 405.411 -0.432 5 20 HBBD O=C(CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 522856177 JKMYWEOKWQCXMW-ZDUSSCGKSA-N 410.452 -0.344 5 20 HBBD CN(CC(=O)NS(=O)(=O)Cc1ccon1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 747185580 WLICGESFPDVQNQ-UHFFFAOYSA-N 418.409 -0.151 5 20 HBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 748918789 ZCOLTXHQAPDKDF-CMPLNLGQSA-N 401.397 -0.666 5 20 HBBD O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 768818491 XVOBZEQFUYIDIE-UHFFFAOYSA-N 416.437 -0.362 5 20 HBBD O=C(N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 788001005 UGBPPNFOBIMDFZ-ZIAGYGMSSA-N 419.406 -0.011 5 20 HBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2)c1n[nH]cc1[N+](=O)[O-] 1779603234 OQCCOKQPFRRGPU-CXAGYDPISA-N 411.415 -0.546 5 20 HBBD O=C(c1c[nH]c(=O)cn1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1780248988 CJYPPOBJQJPRBT-MRXNPFEDSA-N 403.355 -0.842 5 20 HBBD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)CCO2 1783143056 WNFPWTOOJFVQOC-GOSISDBHSA-N 405.411 -0.122 5 20 HBBD O=C(CCn1ccnn1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1784532962 GDPCWHVQOLMPMB-INIZCTEOSA-N 404.387 -0.557 5 20 HBBD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835531423 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CS(=O)(=O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 504192538 XRTNGACSVQJRLP-ZDUSSCGKSA-N 405.454 -0.091 5 20 HBBD O=[N+]([O-])c1cc2c(c(CN3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)c1)OCOC2 507944520 GIYDRQVPBFWQJO-CVEARBPZSA-N 413.452 -0.263 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 515736309 ZDQJHHODTVCZIK-LBPRGKRZSA-N 405.454 -0.340 5 20 HBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC(=O)N1CCOCC1 517949946 LGTUMROKNPYYCD-UHFFFAOYSA-N 414.440 -0.372 5 20 HBBD NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516848 BITFLQINFCSHQL-JTQLQIEISA-N 401.401 -0.860 5 20 HBBD C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 610899870 SNRMKBBPGRHGHT-IUODEOHRSA-N 415.472 -0.109 5 20 HBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 611003156 ARBMCNWYUDYKRW-VIFPVBQESA-N 407.426 -0.322 5 20 HBBD COc1ccc(C(=O)NCC(=O)OCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 773100887 QMMHQNIADSFHRC-UHFFFAOYSA-N 401.397 -0.088 5 20 HBBD 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C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1)n1cncn1 1787480338 QXRNYUPQZIAXOG-CYDGBPFRSA-N 418.414 -0.236 5 20 HBBD N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789391350 CILFFCFXNUSRCE-OBJOEFQTSA-N 419.442 -0.644 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)nn1C 1794723290 UGGBOBHKANXNEK-GNXNZQSNSA-N 403.399 -0.123 5 20 HBBD O=C(COc1ccc(O)nn1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412867 YREDMNHTFJRDLI-UHFFFAOYSA-N 403.355 -0.291 5 20 HBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 487149373 LTFGXMKQZWHVRP-WDEREUQCSA-N 422.394 -0.107 5 20 HBBD COC(=O)CNC(=O)CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 561523774 CZKXCEKQOBTYMQ-UHFFFAOYSA-N 408.396 -0.107 5 20 HBBD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781842615 DCYMFEMDWJIHIG-NSHDSACASA-N 416.387 -0.334 5 20 HBBD O=C1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)CN1 1781544040 YOQVYONQJXEEMG-ORAYPTAESA-N 418.406 -0.120 5 20 HBBD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)n1ccnn1 1790640399 KTPWXDBRHVIUSV-UHXUPSOCSA-N 418.414 -0.236 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H]1C[C@H]1F 1799181237 ZHIKOKQJENQHLI-SMTWKSNJSA-N 408.386 -0.296 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc(O)c([N+](=O)[O-])c1 1799480161 PDEIWZAAXKADKR-FVCICTRLSA-N 416.394 -0.205 5 20 HBBD CCCn1c(N)c(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(=O)[nH]c1=O 26485442 XLJVHDYVAFCSRJ-UHFFFAOYSA-N 417.426 -0.163 5 20 HBBD CN1CCN(C(=O)CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 511025254 HEZWJKOMXOBTFO-UHFFFAOYSA-N 406.443 -0.326 5 20 HBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N(C)C)CC1 748268299 WXTLNZKZPIYKKA-UHFFFAOYSA-N 415.472 -0.013 5 20 HBBD Cn1c(=O)c2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[nH]c2n(C)c1=O 785106976 FHFNXGZRFBHPKM-UHFFFAOYSA-N 417.334 -0.003 5 20 HBBD CC(C)S(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 808364317 OOHZXXWOHQOSOM-UHFFFAOYSA-N 422.485 -0.005 5 20 HBBD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c([N+](=O)[O-])c1 1796341717 LVKMMMZFMIAJFI-HRJSJKBJSA-N 421.454 -0.979 5 20 HBBD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1829483973 AVDJSRVVXRXLDM-SCLBCKFNSA-N 406.395 -0.214 5 20 HBBD CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835866703 ONRXHZYGOOWAMA-UHFFFAOYSA-N 421.458 -0.409 5 20 HBBD CCNC(=O)CN1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 29529421 XZKXGUWRFIUWPP-UHFFFAOYSA-N 407.427 -0.244 5 20 HBBD Cc1conc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 435506152 SNYRLNBPABNTIC-UHFFFAOYSA-N 423.407 0.363 5 20 HBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN(C(=O)Cn2cnnn2)CC1 465124868 ZODUXXWOSWKFNR-UHFFFAOYSA-N 417.382 -0.734 5 20 HBBD Cc1nn(CCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C)c1[N+](=O)[O-] 476161144 UAKZLTQMVFVKJX-KBPBESRZSA-N 415.472 -0.900 5 20 HBBD COC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 503321452 XVTFYGZSVVJCSF-CYBMUJFWSA-N 416.412 -0.544 5 20 HBBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 533059693 ZJSWWPWFABAFKF-DJIMGWMZSA-N 415.468 -0.578 5 20 HBBD O=C(CN1CCN(C(=O)CN2CCc3c2cccc3[N+](=O)[O-])CC1)N1CCOCC1 546099398 SEACANKJFQXMHP-UHFFFAOYSA-N 417.466 -0.040 5 20 HBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 561543869 WXWNKGWDZBFYRI-UHFFFAOYSA-N 422.441 -0.848 5 20 HBBD CN(CC(=O)NCCCn1cc(CO)nn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 578808422 BQQIJISKSJATAX-UHFFFAOYSA-N 412.428 -0.494 5 20 HBBD O=C(c1cc(CO)on1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1780396304 KELYGHKVVLPLNW-MRXNPFEDSA-N 406.355 -0.445 5 20 HBBD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1)C(=O)C(=O)O 1792400253 VDICVMCVVHFDPC-JGPRNRPPSA-N 408.367 -0.017 5 20 HBBD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799484080 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COc1nnc(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 554954448 JKEARNAWHSRYPF-UHFFFAOYSA-N 402.414 0.555 5 20 HBBD CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)CCO1 778065854 ROKLTPFAXBVSIH-GFCCVEGCSA-N 402.385 -0.091 5 20 HBBD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 804060502 SGIKWQTWWQHXFH-CABCVRRESA-N 406.443 -0.066 5 20 HBBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1318257392 ARRNRDALYWLJQE-DZGCQCFKSA-N 417.415 -0.273 5 20 HBBD O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793165480 QEMIADJADUIPQH-QHBPRCKVSA-N 407.383 -0.422 5 20 HBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(F)c2[N+](=O)[O-])=NN1 1799633120 YQIMGNGTSYZTBW-KEODLESXSA-N 419.369 -0.187 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)CS(C)(=O)=O)C2)n1 1842778790 NEXZSTKKSOMFNI-UHFFFAOYSA-N 412.424 -0.140 5 20 HBBD O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14845666 PZESKAPGYSJJIQ-UHFFFAOYSA-N 414.465 -0.039 5 20 HBBD Cc1c(C(=O)NCCCN(C)S(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 610422174 BIGZHSVTBXGIAC-UHFFFAOYSA-N 408.458 -0.438 5 20 HBBD CS(=O)(=O)N1CCC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 610805587 RPINOQMOFMXGHU-UHFFFAOYSA-N 406.486 -0.113 5 20 HBBD CN(CCCNC(=O)COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)S(C)(=O)=O 778900229 TWQSZWZUHVMBIO-UHFFFAOYSA-N 417.396 -0.122 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cc(O)n[nH]1 1786937888 VGPCTFOWQNSLOJ-QXEWZRGKSA-N 405.371 -0.346 5 20 HBBD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C[C@@H]32)CN1 1790860376 ULCLIMJXQHSYPB-OPDFLTKYSA-N 405.411 -0.348 5 20 HBBD O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824222 QKTYLBCMZHDRBD-UHFFFAOYSA-N 417.422 -0.418 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(=O)NC[C@@H]1C(=O)OC 447930836 NBOFNBJZTMLDRA-SNVBAGLBSA-N 401.353 -0.957 5 20 HBBD O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)NCCN1CCOCC1 502076871 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COC(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 735190356 MJXDFGDXRFGACS-UHFFFAOYSA-N 415.428 -0.033 5 20 HBBD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780417723 NGVDQAXURCXYKY-KRWDZBQOSA-N 402.367 -0.237 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808368360 MEGRWYDMTVKFET-DYEKYZERSA-N 402.415 -0.682 5 20 HBBD O=C(NC[C@H](CO)C1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 427868385 DMOWVAZMIZHYAF-IPYPFGDCSA-N 413.452 -0.147 5 20 HBBD COC(=O)COc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] 447077364 KSVBLSRQGLMWRS-ZDUSSCGKSA-N 416.408 -0.081 5 20 HBBD CNc1c(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cccc1[N+](=O)[O-] 469884999 REAKLDSFYSLFIV-UHFFFAOYSA-N 403.399 -0.261 5 20 HBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 499568831 DBHCFGAWZSWXSH-UHFFFAOYSA-N 412.472 -0.573 5 20 HBBD Cn1c(=O)c2nc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)[nH]c2n(C)c1=O 535665545 YBFZBTSRDQAFBA-SNVBAGLBSA-N 400.399 -0.050 5 20 HBBD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)n1 542073614 OFRALYZWKONHOC-UHFFFAOYSA-N 401.383 -0.202 5 20 HBBD NC(=O)c1ccc(SCC(=O)NS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1 750732051 WGWOPIHKKYOEOF-UHFFFAOYSA-N 404.426 -0.521 5 20 HBBD NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 788319823 ZIANRLVJUKTWHH-HNNXBMFYSA-N 400.413 -0.958 5 20 HBBD O=C(NC[C@@H](O)CO)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815585532 KEGYIDKWZGYRPT-SSDOTTSWSA-N 409.136 -0.393 5 20 HBBD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1787186111 WBLPQJWKBFAPCM-NHCYSSNCSA-N 404.387 -0.348 5 20 HBBD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797605158 PBRXKRASGWFQFE-BGQQFTTLSA-N 413.456 -0.320 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1797940343 JQZIFZFNUYKSSE-JRATXPSKSA-N 420.426 -0.928 5 20 HBBD 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O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 783331483 KKFJHDBTXXOQSA-UHFFFAOYSA-N 422.789 -0.456 5 20 HBBD COc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1C 791692526 NHKNLOZOSLYUAQ-UHFFFAOYSA-N 406.351 -0.069 5 20 HBBD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CN1 1779379570 YVIZLPWFXYJHIV-PIGZYNQJSA-N 406.399 -0.712 5 20 HBBD Cn1cncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810560 ZAOUKQKWAGIOQY-MJVIPROJSA-N 403.399 -0.042 5 20 HBBD CN1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1794005240 QEZKQVUVDCRAJS-AFIMGQEJSA-N 420.470 -0.277 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1797942265 XNUMYCHHVCQGOD-DYNIEEOBSA-N 406.399 -0.788 5 20 HBBD CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844228540 ZWIKNNHJZCXRRX-GFCCVEGCSA-N 407.431 -0.298 5 20 HBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1=O 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CNS(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 609599859 MYWIJWIZGNTHCO-LBPRGKRZSA-N 414.440 -0.127 5 20 HBBD NS(=O)(=O)CCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745012734 MRDWCJWRCFSZEF-CYBMUJFWSA-N 421.453 -0.030 5 20 HBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 788878335 AXFMMQGGMMODFS-SNVBAGLBSA-N 421.453 -0.107 5 20 HBBD O=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)CN1 1781939148 OGAHTJBOJIELRA-BFUOFWGJSA-N 418.406 -0.120 5 20 HBBD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1ccnn1 1782752529 LUZMBKRWGWLXBA-GUYCJALGSA-N 418.414 -0.526 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1782783756 KZBNKTKYTDJBGX-INIZCTEOSA-N 400.338 -0.149 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21 1785213766 ONKUJHZMFAENSY-JKOKRWQUSA-N 421.439 -0.064 5 20 HBBD Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 1798011019 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421.453 -0.473 5 20 HBBD CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 604483855 TZAOHGHOUCGGLO-UHFFFAOYSA-N 410.449 -0.411 5 20 HBBD COc1cc(OCC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 609448094 WGCNSBRCWMSYGW-NSHDSACASA-N 415.424 -0.256 5 20 HBBD CN(C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 612451968 UQCKNMWMRHZNHX-OLZOCXBDSA-N 402.473 -0.243 5 20 HBBD Cn1c(=O)c2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]c2n(C)c1=O 785038479 SNZRDYWYAJXEMK-UHFFFAOYSA-N 403.307 -0.046 5 20 HBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2)c1n[nH]cc1[N+](=O)[O-] 1779600284 AVYOMPZIEIGDMQ-MLGOLLRUSA-N 419.402 -0.868 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796299611 WPUFVGWECLYANE-CLLJXQQHSA-N 416.398 -0.919 5 20 HBBD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1 1796597544 BKCXJEHIEKLYOQ-DPIQGUFMSA-N 405.411 -0.362 5 20 HBBD O=C(NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835103354 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420.469 -0.297 5 20 HBBD COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 546753260 OXSPQOTXXUPRSH-ZDUSSCGKSA-N 401.397 -0.048 5 20 HBBD CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 557883426 SPNXOPCVVVRTFG-QWHCGFSZSA-N 414.440 -0.375 5 20 HBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 558951835 SCMFYHZLCCEKRZ-ZJUUUORDSA-N 420.378 -0.237 5 20 HBBD CN(C)S(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 567206341 GXKNVBOALBDIAA-UHFFFAOYSA-N 422.485 -0.081 5 20 HBBD COC(=O)CCCS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 734089575 NJPQYLOPCNTULY-UHFFFAOYSA-N 415.380 -0.281 5 20 HBBD N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1782969290 XSBDZTSWTVBBPK-GOSISDBHSA-N 422.417 -0.411 5 20 HBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1785528834 HKZKQVXGMRNRIT-KBXCAEBGSA-N 409.418 -0.608 5 20 HBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)N(C)C)ccc1[N+](=O)[O-] 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CNS(=O)(=O)NC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 439208072 JHWJGVOQFQRZAU-UHFFFAOYSA-N 406.486 -0.015 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C(=O)C1 507209176 RGGDLZDYGQNNSX-UHFFFAOYSA-N 411.440 -0.111 5 20 HBBD COC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 510089502 WLDUDITURCMUIV-UHFFFAOYSA-N 400.413 -0.810 5 20 HBBD CN(C(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 564102707 UBGZILITXWSMDN-JKSUJKDBSA-N 412.468 -0.355 5 20 HBBD CN(C)S(=O)(=O)CCNc1ccc([N+](=O)[O-])c(NCCS(=O)(=O)N(C)C)n1 569417493 ONLJQYVWGXOBQP-UHFFFAOYSA-N 424.505 -0.404 5 20 HBBD O=C(Cn1nc2ccccn2c1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 604466191 OAZRLTVYFWOCEP-UHFFFAOYSA-N 420.407 -0.501 5 20 HBBD NC(=O)[C@H]1CCCN(CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 609170990 BQDWUIONGBTWID-LBPRGKRZSA-N 417.422 -0.106 5 20 HBBD COCCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611636309 ZXOYBGNRJOWXFQ-JSGCOSHPSA-N 417.440 -0.502 5 20 HBBD 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CCc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n(C)n1 609947076 HMCPNMCOLMEPKR-UHFFFAOYSA-N 424.439 -0.076 5 20 HBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)C(=O)N(C)C1=O 733574099 XBXOHZRLTYDJBB-MRVPVSSYSA-N 408.323 -0.106 5 20 HBBD N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 1786808641 SRKHZGOJILTEPB-JKOKRWQUSA-N 422.417 -0.190 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)n1 1796295626 FSDLNZCWNNPMBS-ZSBIGDGJSA-N 416.398 -0.063 5 20 HBBD CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826503 JMBNHRXCGAZGBI-SCLBCKFNSA-N 409.443 -0.009 5 20 HBBD CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413683 OBXWVLZQZSAELW-SFHVURJKSA-N 407.379 -0.041 5 20 HBBD O=C(c1c[nH]c(=O)cn1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824766 ALOYHYDLUNZVLU-UHFFFAOYSA-N 414.378 -0.643 5 20 HBBD O=C(C[C@H]1NC(=O)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 25234638 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1829484430 JEEFBFPMYVVTHV-QGZVFWFLSA-N 420.382 -0.451 5 20 HBBD NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829490604 ZLGBLBPIRNBJID-KRWDZBQOSA-N 410.383 -0.477 5 20 HBBD O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1836510919 NLNPCCYNBWAVMR-KRWDZBQOSA-N 407.383 -0.633 5 20 HBBD Cc1c(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 426870449 CLYCCEQQYSPZGC-UHFFFAOYSA-N 422.423 -0.227 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(C2CC2)C1 428820864 AROBIGQUEJKDLD-LLVKDONJSA-N 411.440 -0.064 5 20 HBBD CNC(=O)Cn1cc(NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 470932077 NPQDIZNVWKHCLQ-UHFFFAOYSA-N 402.367 -0.234 5 20 HBBD O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471318974 WSKTULTYRWHNID-HUUCEWRRSA-N 408.436 -0.008 5 20 HBBD Cn1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 611658531 GNVOETCYOUJHCB-OCCSQVGLSA-N 409.424 -0.231 5 20 HBBD 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NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 432168995 IEYXZQHYXCAQPT-LBPRGKRZSA-N 404.470 -0.449 5 20 HBBD CNC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 467973459 MOVMFZRPWXXPGN-NSHDSACASA-N 414.444 -0.414 5 20 HBBD CO[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1OC 487490982 XVVVJPUUAUDCKG-STQMWFEESA-N 402.429 -0.072 5 20 HBBD CN(C)C[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 502468984 BAFYEQMLNYZIPN-OAHLLOKOSA-N 403.461 -0.515 5 20 HBBD COc1ccc(C(=O)NCC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 514045718 GICQTIXOLYQZNY-UHFFFAOYSA-N 414.440 -0.173 5 20 HBBD C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2C)c([N+](=O)[O-])c1 520569345 HZMMTHKMFSMPKR-QWRGUYRKSA-N 403.395 -0.484 5 20 HBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2ccnc2C1 611641314 ABTAGPJVCVDIRF-OCCSQVGLSA-N 421.435 -0.042 5 20 HBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1=O 785313391 WNKMRAVBKDFWCS-UHFFFAOYSA-N 401.397 -0.335 5 20 HBBD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799730511 ORKIVWMYCUBQKT-JJLQDPRZSA-N 406.395 -0.408 5 20 HBBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1cnnn1 1803084611 ZQSWIIJGSNIACB-RVMXOQNASA-N 403.403 -0.323 5 20 HBBD CCCCS(=O)(=O)NCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 534114545 NVMHPSLUNJKLAK-UHFFFAOYSA-N 422.485 -0.291 5 20 HBBD COCCN1CN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1=O 559019461 CKUUGXYTWBXIIX-UHFFFAOYSA-N 408.367 -0.097 5 20 HBBD CN(CC(=O)N[C@H]1CCCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609989331 RWDZPBVHCGHFPE-NSHDSACASA-N 405.454 -0.091 5 20 HBBD CCOC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 746289281 ANLBUGHILXNCHR-CYBMUJFWSA-N 401.397 -0.045 5 20 HBBD Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 756460678 OOAVYOSMDOJXIH-UHFFFAOYSA-N 423.407 -0.261 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781939929 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Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834316335 PUZXSZXXWLEXIF-KRWDZBQOSA-N 420.382 -0.002 5 20 HBBD COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793069 VHDJYSQAFLWPIZ-KRWDZBQOSA-N 411.415 -0.186 5 20 HBBD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826522 KFNWRGCBFBIUGW-QGZVFWFLSA-N 419.398 -0.267 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772329 DNVNVUOELDMDRX-UHFFFAOYSA-N 403.355 -0.291 5 20 HBBD Cc1c(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 542595392 FPFUTZWNKWYKOS-UHFFFAOYSA-N 419.438 -0.155 5 20 HBBD COC(=O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 585701878 QHKQLWXDMVVJPV-JQWIXIFHSA-N 401.397 -0.602 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 590546551 NKDRMRWUCXEEBB-CQSZACIVSA-N 422.394 -0.769 5 20 HBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 590697169 MHYMHSLSTLYKRD-UHFFFAOYSA-N 406.395 -0.060 5 20 HBBD CCCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 609473664 VQQUDDQYSCXEKM-UHFFFAOYSA-N 416.460 -0.395 5 20 HBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 611231675 WCMSDRGYLPGIOC-UHFFFAOYSA-N 406.486 -0.109 5 20 HBBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cnnn1 1794279899 RSFAIFGGWMWZTD-FVCCEPFGSA-N 403.403 -0.323 5 20 HBBD NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808262678 XHRLVPBYSWTTPR-OBJOEFQTSA-N 402.415 -0.682 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834100121 QJRVZSLCSAOUOV-QGZVFWFLSA-N 419.398 -0.715 5 20 HBBD CCS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169907223 AXYGOEDNFUYMOU-UHFFFAOYSA-N 410.408 -0.315 5 20 HBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCS1(=O)=O 484084244 KLQYHVZVLVTJBG-ZDUSSCGKSA-N 405.454 -0.043 5 20 HBBD CC[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N1CCOCC1 531455480 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HBBD C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C 796273951 HTINYMXGZWAAHJ-JTQLQIEISA-N 416.412 -0.991 5 20 HBBD CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CCC1=O 1780414585 WDKUPLHROUFROU-SFHVURJKSA-N 418.410 -0.025 5 20 HBBD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1800511147 IKZWXCRFUYYNKY-FVCICTRLSA-N 405.411 -0.362 5 20 HBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830400434 BULFGHVBPJVODF-QGZVFWFLSA-N 413.358 -0.885 5 20 HBBD C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000885 XZAJPABARIICTC-MRXNPFEDSA-N 409.399 -0.390 5 20 HBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 50956260 CENYWTYITPQQBC-AWEZNQCLSA-N 401.445 -0.875 5 20 HBBD COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 429480966 MUKGRWVZCOKMTQ-STQMWFEESA-N 401.397 -0.602 5 20 HBBD CNS(=O)(=O)c1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 433421106 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C[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 761409358 UVAHJZTYPSWWKR-LBEULSOHSA-N 405.363 -0.149 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779672173 PMOUKGKGDORPQP-MRXNPFEDSA-N 406.355 -0.371 5 20 HBBD NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1790850399 RYPUUZOITDVWMA-UBHSHLNASA-N 408.415 -0.964 5 20 HBBD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)CCN1 1791348115 UDCVOGICEQGKOQ-UHXUPSOCSA-N 420.426 -0.563 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404066 DBLXLGLCNMPMKE-JJLQDPRZSA-N 415.410 -0.056 5 20 HBBD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799480434 ODKBSWBYPGRARJ-JGPRNRPPSA-N 404.383 -0.274 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831926378 HSEWWOGEQIWEDI-QGZVFWFLSA-N 420.382 -0.451 5 20 HBBD 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JYLNSRBBIASOPV-KPZWWZAWSA-N 406.395 -0.122 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005090 KNEZPGSZTHBUPZ-IFOZYUSPSA-N 420.426 -0.998 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncn(C)n2)C3)ncc1[N+](=O)[O-] 1796600266 TZMJNNPKYJAZME-JJLQDPRZSA-N 415.410 -0.056 5 20 HBBD CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830870092 PTVZWEDVKXIJOF-YOEHRIQHSA-N 411.415 -0.595 5 20 HBBD O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccc([N+](=O)[O-])c2=O)CN1 1847325996 VZANWSRARZBIQX-IHRRRGAJSA-N 417.422 -0.516 5 20 HBBD Cc1nc([N+](=O)[O-])c(-c2noc(Cn3c(=O)c4c(ncn4C)n(C)c3=O)n2)n1C 445610395 MPITXYZZDVEIPT-UHFFFAOYSA-N 401.343 -0.518 5 20 HBBD C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](CO)O1 470469741 CKTSBAQQMCCSDH-GHMZBOCLSA-N 402.429 -0.348 5 20 HBBD CN1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 486236282 XLUBFSSWCJBLQT-LBPRGKRZSA-N 411.440 -0.159 5 20 HBBD CCOC(=O)CN(CC(N)=O)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 521670381 PFEUENUXUWWSDC-UHFFFAOYSA-N 417.378 -0.060 5 20 HBBD CNC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCO1 541935392 URNBXKREIJYUJD-HNNXBMFYSA-N 415.472 -0.614 5 20 HBBD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)NC(=O)N1 590413243 HLZUJIGCTQUSOA-LBPRGKRZSA-N 411.396 -0.974 5 20 HBBD C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C 611641443 CYIIVECBNOMKAS-LOWVWBTDSA-N 414.440 -0.688 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1785218960 OHNYNIJQTXZNIV-TUUVXOQKSA-N 407.427 -0.050 5 20 HBBD NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1836197470 KDSHPXUMLCIFLF-AWEZNQCLSA-N 407.475 -0.606 5 20 HBBD Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1838395205 VPDCLSNIQRVURV-KRWDZBQOSA-N 420.382 -0.002 5 20 HBBD CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840310540 YLRYGNZIDFIUPQ-ZVVFDCPKSA-N 409.399 -0.062 5 20 HBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293641 VZEGLGGTUPMHMF-GOSISDBHSA-N 418.450 -0.009 5 20 HBBD COc1cc(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)c([N+](=O)[O-])cc1O 1844738415 UPAWXMSZDDSZEB-UHFFFAOYSA-N 407.383 -0.206 5 20 HBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034295 ABSFRNQYXPTCBN-UHFFFAOYSA-N 422.438 -0.596 5 20 HBBD CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O 428311325 BNTBDHUJVBPNFU-HQRZJTNHSA-N 413.452 -0.006 5 20 HBBD Cn1c(=O)c2c(ncn2CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n(C)c1=O 470297324 OWHVTDPMMYBOGO-UHFFFAOYSA-N 414.378 -0.368 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 522143217 JJVHVMCDCDOSRI-UHFFFAOYSA-N 407.408 -0.315 5 20 HBBD CNC(=O)Cn1cc(NC(=O)C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cn1 568700770 HSPYAMBHPFOFPG-UHFFFAOYSA-N 402.367 -0.103 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 603555648 BYNVSLWWAMUBFQ-UHFFFAOYSA-N 408.458 -0.284 5 20 HBBD CN(C)S(=O)(=O)N(C)CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 731146347 UXTCMKSRHOKKQR-UHFFFAOYSA-N 416.412 -0.398 5 20 HBBD CCOC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 746289286 ANLBUGHILXNCHR-ZDUSSCGKSA-N 401.397 -0.045 5 20 HBBD O=C(CCn1ccnn1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1784530577 CHSAHWYAIWPAIG-KRWDZBQOSA-N 418.414 -0.697 5 20 HBBD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1785631375 QTGMWPIHPFJNIH-QGZVFWFLSA-N 409.374 -0.154 5 20 HBBD O=C1NC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)O1 1788809840 PGUNGWGNZFYIKW-QSFUFRPTSA-N 408.371 -0.980 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789763074 VWJBLQUECWYZEI-YLXLXVFQSA-N 407.427 -0.761 5 20 HBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NC=O)ncc1[N+](=O)[O-] 1799291233 SWWPHYMFYZBBIE-JFILPPLUSA-N 405.411 -0.364 5 20 HBBD Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829480320 KPPIZHBYMXBMOB-QGZVFWFLSA-N 420.382 -0.300 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830576761 IOIPYQHVISOGQA-LEHRNKBSSA-N 423.426 -0.981 5 20 HBBD O=C(Cn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834386189 ILAMCKBRLNTDKA-SFHVURJKSA-N 418.410 -0.110 5 20 HBBD CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835906770 FYRKNBWMZUHDCK-YJBOKZPZSA-N 424.458 -0.754 5 20 HBBD COc1ccc(C(=O)NCC(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] 11304131 BUHYPIQDLRYVNV-UHFFFAOYSA-N 406.351 -0.526 5 20 HBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 439838948 FBJBAWSQOHSRRB-UHFFFAOYSA-N 400.413 -0.060 5 20 HBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCS1(=O)=O 490105736 YQMZHJZZUUDMCF-UHFFFAOYSA-N 420.469 -0.585 5 20 HBBD CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 575078434 GTDIBZYBGMJBGN-QWRGUYRKSA-N 400.413 -0.058 5 20 HBBD C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1S(C)(=O)=O 579979495 HUPVWZVLKVXMPH-VIFPVBQESA-N 406.442 -0.652 5 20 HBBD O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 581339623 HAHKHCITEZCJED-GFCCVEGCSA-N 412.424 -0.198 5 20 HBBD COCCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609920389 JEYRXMDJJJSTOJ-ZDUSSCGKSA-N 415.472 -0.107 5 20 HBBD Cc1cc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 797496018 YNGDZIGWEYWGOP-UHFFFAOYSA-N 406.351 -0.312 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1782789339 RJZIBMSDLOYMSV-ZJNRKIDTSA-N 408.386 -0.056 5 20 HBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](O)N1CCOCC1 1799481682 RRIXCQWQJXHRPU-YFQWEKLQSA-N 407.427 -0.175 5 20 HBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)ccc1[N+](=O)[O-] 1801840231 USFXTASAKUBNRJ-DRXBFXEBSA-N 421.410 -0.525 5 20 HBBD N=C(N)NCC(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808368295 PTHJSKYWOIBAGV-FZMZJTMJSA-N 415.414 -0.484 5 20 HBBD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830513955 LJBBORXRMLJNHG-PBHICJAKSA-N 411.415 -0.981 5 20 HBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 25024408 HKMGFFJAQPEZBA-LBPRGKRZSA-N 406.351 -0.790 5 20 HBBD COc1cc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 468840152 FRYCORUCYJAXIP-SNVBAGLBSA-N 421.453 -0.425 5 20 HBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 484563329 DMIGIVGNDXJFQZ-CYBMUJFWSA-N 406.438 -0.261 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 498875606 NJVYIZBEKYLUHK-CYBMUJFWSA-N 415.424 -0.028 5 20 HBBD COCCNC(=O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 520371006 IXXYCBGJVCRTMC-UHFFFAOYSA-N 407.427 -0.244 5 20 HBBD O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 609850533 WADYCLLMFHESRJ-HUUCEWRRSA-N 419.481 -0.488 5 20 HBBD CN(CC(=O)NCC(C)(C)NS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609970679 BBWVVMKDFPMOCZ-UHFFFAOYSA-N 422.485 -0.341 5 20 HBBD CN(CC(=O)NCCC(=O)N1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609986329 KWFFCLBOEGAPTN-UHFFFAOYSA-N 414.440 -0.420 5 20 HBBD CN(C(=O)COC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 756451180 GTRLNZSJAJOCAP-UHFFFAOYSA-N 411.396 -0.187 5 20 HBBD O=C1CN(C(=O)COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1 804908013 CIILQRDFNLCQRF-UHFFFAOYSA-N 406.351 -0.216 5 20 HBBD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)c1 1785213799 SJSZVWJXTCQXQX-NOLJZWGESA-N 417.426 -0.182 5 20 HBBD Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)cc1[N+](=O)[O-] 1789909890 DQRGTPSNHPKKNI-DZKIICNBSA-N 407.423 -0.264 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1794000009 GZTUIFUECWABSR-JJLQDPRZSA-N 401.383 -0.515 5 20 HBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)N(C)C)C3)ccc1[N+](=O)[O-] 1801837822 VBWBLSDGABCOFG-YWVIFJGQSA-N 420.422 -0.105 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC(N)=O)CC2)cc1[N+](=O)[O-] 23860948 AQOHNMYRAUEVDO-SNVBAGLBSA-N 415.428 -0.507 5 20 HBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 468647768 GWNKNSCMBHZOEW-CYBMUJFWSA-N 415.362 -0.437 5 20 HBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 468650119 FUKGTZZRXCESPO-LBPRGKRZSA-N 404.335 -0.638 5 20 HBBD O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471313683 XBCIQRPSKIGWLD-QWHCGFSZSA-N 413.408 -0.761 5 20 HBBD CN1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 486236281 XLUBFSSWCJBLQT-GFCCVEGCSA-N 411.440 -0.159 5 20 HBBD COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 497691323 CJBKFUISTSLMTE-FZMZJTMJSA-N 415.424 -0.354 5 20 HBBD CCN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)CO 513335793 SEKTWNIZLIKUPC-SCRDCRAPSA-N 401.441 -0.052 5 20 HBBD C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O 515283300 BXORTEHYMGZLOJ-LLVKDONJSA-N 405.454 -0.139 5 20 HBBD O=C1CN(C(=O)c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CCN1 522783712 JVRAPJMIUBXCFU-UHFFFAOYSA-N 413.390 -0.355 5 20 HBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 609548297 UZUFHLDWBGKBDJ-UHFFFAOYSA-N 412.366 -0.180 5 20 HBBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 609850562 ZZTPESKBNDHILQ-YPMHNXCESA-N 423.444 -0.490 5 20 HBBD CN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611623777 NJDOFHFSSRYFQZ-ZFWWWQNUSA-N 412.468 -0.071 5 20 HBBD Cc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 769429923 APDKSLMUKRQOFM-VIFPVBQESA-N 402.816 -0.112 5 20 HBBD CS(=O)(=O)N1CC(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 1255309489 CUHBTUROVSNTIJ-UHFFFAOYSA-N 404.832 -0.014 5 20 HBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1796338889 ZCYAYSYJASHIPI-RBNVPPIJSA-N 409.418 -0.848 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1 1796793913 FZIGXNBEZAQMNG-JGPRNRPPSA-N 417.382 -0.056 5 20 HBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 25020939 LJDGOQPSNITWSU-NSHDSACASA-N 410.408 -0.324 5 20 HBBD Cn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 448477046 DYOYIJDQKMYYRB-UHFFFAOYSA-N 422.423 -0.200 5 20 HBBD COC(=O)Cn1cc(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)nn1 491610635 SJFLBJBDKJAAHH-UHFFFAOYSA-N 403.348 -0.015 5 20 HBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 538270917 GVAJDPUCYUZWMC-SNVBAGLBSA-N 408.458 -0.203 5 20 HBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1cc(O)cc([N+](=O)[O-])c1 1781092846 OYLRRHFCDQNEAM-RDTXWAMCSA-N 409.395 -0.261 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)n1 1781317899 VZXUITBCIFNDIK-SFHVURJKSA-N 424.410 -0.549 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C[C@@H]21)C(O)O 1783868892 HTMQPZODJMTHGZ-CQDKDKBSSA-N 421.406 -0.566 5 20 HBBD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])n1ccnc1 1798008613 BRXGYZDICPBFMP-FMSGJZPZSA-N 403.399 -0.021 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)n1 1799340289 HKUOERXQYNOZJG-DRXBFXEBSA-N 424.410 -0.790 5 20 HBBD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CN1 1845999993 KVPBIFKCEGKKOD-LBPRGKRZSA-N 403.395 -0.904 5 20 HBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2[N+](=O)[O-])CC1 435980252 GHVINJOBNLWTFR-CYBMUJFWSA-N 403.395 -0.202 5 20 HBBD CNC(=O)N[C@H]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[C@H](NC(=O)NC)C3)n2)C1 466461939 FVJLZCRRLUPPNT-RYUDHWBXSA-N 421.462 -0.291 5 20 HBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 467149434 SDAZKFUWMPGMNV-UHFFFAOYSA-N 417.382 -0.978 5 20 HBBD C[C@H]1CS(=O)(=O)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 530333869 MJIZNIZECBAPNG-JTQLQIEISA-N 420.469 -0.310 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 546170272 LEUARURWNOYOJD-LBPRGKRZSA-N 419.387 -0.197 5 20 HBBD COC[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 811504714 OELQDDRJDSCQHO-NSHDSACASA-N 404.445 -0.183 5 20 HBBD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1)C(=O)O 1789391346 BZXKQCMXBQXSGL-IMIFBBOLSA-N 423.426 -0.421 5 20 HBBD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)ncc1[N+](=O)[O-] 1835526252 XKKWKIJHRMSZEG-AUUYWEPGSA-N 421.454 -0.037 5 20 HBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293642 VZEGLGGTUPMHMF-SFHVURJKSA-N 418.450 -0.009 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845519775 FEZMQEMIJNYAIM-UHFFFAOYSA-N 403.443 -0.039 5 20 HBBD CN(C)c1nc(N)nc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 27344855 PMFKNSLCXUGRBB-UHFFFAOYSA-N 422.471 -0.066 5 20 HBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 108123709 DCIGCKIPYRUEIB-UHFFFAOYSA-N 423.455 -0.546 5 20 HBBD CS(=O)(=O)C1(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 477235627 DEOOVOYFRKTCFK-UHFFFAOYSA-N 405.454 -0.043 5 20 HBBD CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 505127209 ACIAPEMWUUUREG-CQSZACIVSA-N 405.454 -0.091 5 20 HBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])n1 533634137 NNIGFXOIGQNOOE-UHFFFAOYSA-N 400.461 -0.260 5 20 HBBD O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611660871 QIFSJEMPTSQXMO-NFAWXSAZSA-N 413.452 -0.004 5 20 HBBD Cn1nnnc1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 616172958 RGCZXTMLFBRKNZ-ZDUSSCGKSA-N 409.428 -0.022 5 20 HBBD COc1ccc(C(=O)NCC(=O)NC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 619778841 WPJXWOWUWOOIJR-UHFFFAOYSA-N 400.413 -0.470 5 20 HBBD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)n1 1780416958 NGSRRVXGHHEYNY-QGZVFWFLSA-N 418.414 -0.301 5 20 HBBD CC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785394 HMGDFWLCWVZSEY-KBXCAEBGSA-N 408.411 -0.643 5 20 HBBD COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789392857 LEJXLIYRRIEGJO-GVXVVHGQSA-N 409.399 -0.128 5 20 HBBD Cc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000508 PDSFSMPLQJYLPA-DRXBFXEBSA-N 404.383 -0.009 5 20 HBBD O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795775051 SHJZXZGPURLACA-JJLQDPRZSA-N 416.394 -0.617 5 20 HBBD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402943 JFEMPNHUJWUJRU-WISYIIOYSA-N 423.430 -0.771 5 20 HBBD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1799339104 OYAZAJCMXRLVBN-FVCICTRLSA-N 409.395 -0.488 5 20 HBBD C[C@@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358374 UAOKYZSKQRXOCW-YIYPIFLZSA-N 405.411 -0.471 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1837792989 RLLIKIBHHOBEOL-MFGLSYLJSA-N 409.399 -0.841 5 20 HBBD CCCc1[nH]nc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-] 469877074 CUZPAHSUSZMTNM-UHFFFAOYSA-N 406.403 -0.627 5 20 HBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 550518516 FHHCDCNSHPAYJA-NSHDSACASA-N 404.335 -0.919 5 20 HBBD CCOC(=O)C(=O)N1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 782712693 VNXGRKQXLWPGIG-UHFFFAOYSA-N 406.395 -0.133 5 20 HBBD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785214031 JJROMDXBDZICLQ-DHMWGJHJSA-N 422.442 -0.718 5 20 HBBD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CN1 1838828552 WTYPHLMGIWIIKX-KPZWWZAWSA-N 421.410 -0.871 5 20 HBBD O=C1CN(CC(=O)N2CC3(CCCN3C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C(=O)N1 1841003191 UTVIGSSVEKXDPT-UHFFFAOYSA-N 415.406 -0.108 5 20 HBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)[C@@H]1SC(=N)NC1=O 1843389261 XEBHNCNSKIXXFW-WPRPVWTQSA-N 421.439 -0.063 5 20 HBBD O=C(c1cc(CO)on1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824900 SPOYNMUGBPHHLK-UHFFFAOYSA-N 417.378 -0.246 5 20 HBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 440014299 RCHRHWOMEAXNQV-UHFFFAOYSA-N 417.444 -0.119 5 20 HBBD NC(=O)N1CCN2C(=O)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C(=O)[C@H]2C1 482049482 QZBKOHFYGSXXLQ-CYBMUJFWSA-N 402.367 -0.489 5 20 HBBD C[C@@H](CS(C)(=O)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 502814141 QIIRABRDVHTLEI-JTQLQIEISA-N 408.458 -0.395 5 20 HBBD CN(Cc1ccccc1[N+](=O)[O-])c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553315448 GDBSRBDDSFCZQQ-SCFUHWHPSA-N 416.394 -0.018 5 20 HBBD C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)CCC1=O 603679386 DRPHXLQGAKJKCI-LBPRGKRZSA-N 424.435 -0.035 5 20 HBBD Cn1ccnc1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641845 UTLPHZWQEXONSJ-YPMHNXCESA-N 409.424 -0.231 5 20 HBBD CCN(CCS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 753582800 FRNSIDBMNMZWFN-UHFFFAOYSA-N 422.485 -0.051 5 20 HBBD O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 792874275 VSBREJJRDLWXNZ-CABCVRRESA-N 400.413 -0.222 5 20 HBBD O=C(c1ccnnc1O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779916870 CIABFMQQOWGKJU-MRXNPFEDSA-N 403.355 -0.429 5 20 HBBD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)n[nH]1 1780261292 HVCVOYGQKNCJNL-QGZVFWFLSA-N 403.399 -0.033 5 20 HBBD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781937076 DMSQPDGPRQLKIT-QGZVFWFLSA-N 406.399 -0.773 5 20 HBBD COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476653 DKDPTBIHHPDZNO-SRVKXCTJSA-N 409.399 -0.136 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)c1ccc([N+](=O)[O-])o1 1792355216 DULZFYMEWXAYGQ-KEODLESXSA-N 403.351 -0.212 5 20 HBBD N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793107922 MMRKKFOEKSGZSE-MZVFARIOSA-N 406.399 -0.726 5 20 HBBD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1793284456 OZJDSDNYLLYJMH-DPIQGUFMSA-N 405.411 -0.362 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n(C)n1 1794746260 SISKCFKIIBDHGY-GNXNZQSNSA-N 403.399 -0.123 5 20 HBBD Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cn1 1795769184 YNJWOTFFKMZHDS-AGGWBTHJSA-N 417.426 -0.113 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840533630 IMXVKOYQSJPQIU-KBXCAEBGSA-N 423.426 -0.716 5 20 HBBD Cn1c(=O)c2c(ncn2CCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)n(C)c1=O 16235291 OCGAEHMNFZKEJV-UHFFFAOYSA-N 415.410 -0.040 5 20 HBBD COC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 461439616 SUBMDZUUKRXGEM-NSHDSACASA-N 404.445 -0.183 5 20 HBBD C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 462512022 OOTDDZSIYIORTM-NEPJUHHUSA-N 422.485 -0.183 5 20 HBBD COC(=O)c1cc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c(C)c([N+](=O)[O-])c1 487817233 FKQHTIBMGQTZSV-UHFFFAOYSA-N 408.367 -0.397 5 20 HBBD COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 497691326 CJBKFUISTSLMTE-RISCZKNCSA-N 415.424 -0.354 5 20 HBBD O=C(CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccc([N+](=O)[O-])cc1 498968592 OGDINOZXCWCCHV-HOTGVXAUSA-N 412.468 -0.301 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1(O)CCOCC1 509439106 VPPMLKMUVXSXMQ-UHFFFAOYSA-N 402.429 -0.286 5 20 HBBD O=C(Cn1ccc([N+](=O)[O-])n1)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 517683273 XMUXZRNSEXHPKB-AWEZNQCLSA-N 415.472 -0.471 5 20 HBBD C[C@@H]1CS(=O)(=O)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 530333870 MJIZNIZECBAPNG-SNVBAGLBSA-N 420.469 -0.310 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O 544105780 UCCCIQKPIPEMHQ-JTQLQIEISA-N 407.426 -0.177 5 20 HBBD Cc1nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c2ncc([N+](=O)[O-])cc12 749943266 FILUSNNZVDOESJ-UHFFFAOYSA-N 415.410 -0.101 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 1320937807 DZIZUMGVRFEAEW-UHFFFAOYSA-N 414.440 -0.224 5 20 HBBD Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477089 IEEUAGPEOMWDJU-DCAQKATOSA-N 404.387 -0.348 5 20 HBBD CC(=O)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006601 RHHPYJCIBGJIFL-DPYKFYPSSA-N 407.427 -0.004 5 20 HBBD C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F 1798007921 ZGTKIFFJGXGYKE-DRCDSALNSA-N 421.332 -0.166 5 20 HBBD O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412126 RFKOWJWYNIPYDK-UHFFFAOYSA-N 401.339 -0.063 5 20 HBBD CN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1[N+](=O)[O-] 463637199 QEQJMCQHOUXFTE-CZUORRHYSA-N 412.468 -0.355 5 20 HBBD NC(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 609352194 OWNRKZKVXVVSFN-OAHLLOKOSA-N 406.443 -0.150 5 20 HBBD Cn1cnnc1SCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 726940995 IIRBIECTWACSAC-UHFFFAOYSA-N 400.442 -0.090 5 20 HBBD O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 1792399860 APENQAPTSXCNBA-BTTYYORXSA-N 410.427 -0.274 5 20 HBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cccc([N+](=O)[O-])c2)=NN1 1792420467 OXJSGMDNGAYXAF-IVWMJMPLSA-N 415.406 -0.397 5 20 HBBD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799486749 QUCNMQAHYBSHIZ-FVCICTRLSA-N 406.395 -0.360 5 20 HBBD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835531082 NQMPYSVZGXYCQY-BFUOFWGJSA-N 422.438 -0.035 5 20 HBBD CC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841089406 REFHMRBVUKDXGF-CQSZACIVSA-N 419.438 -0.125 5 20 HBBD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1843427935 QWVFTFYGRIREOV-ZDUSSCGKSA-N 419.438 -0.173 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(CCC(=O)NC(N)=O)CC2)cc1[N+](=O)[O-] 22060675 AUQQKRKEKRDQCV-UHFFFAOYSA-N 415.428 -0.505 5 20 HBBD O=C1C[C@H](Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CN1 485971308 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HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 518387487 AFMXHXVZKHVJEL-NSHDSACASA-N 423.451 -0.361 5 20 HBBD CN(C)S(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 582333241 FDQPUIYJPWSMRS-UHFFFAOYSA-N 422.485 -0.081 5 20 HBBD CS(=O)(=O)N1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 612654730 BMDDHQYKIAMCCB-UHFFFAOYSA-N 407.474 -0.769 5 20 HBBD Cn1cnn(CC(=O)NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1=O 765611008 XJTDBWJZFYETCA-UHFFFAOYSA-N 420.201 -0.242 5 20 HBBD Cc1cc(=O)c(C(=O)OCC(=O)N2CCNC(=O)C2)nn1-c1ccccc1[N+](=O)[O-] 925154095 OXRYRPVPQMEKKC-UHFFFAOYSA-N 415.362 -0.436 5 20 HBBD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)o1 1787477138 LECMSSNZQLJWJN-SRVKXCTJSA-N 419.398 -0.155 5 20 HBBD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809962 VCDRQRNEECGKMT-ZPFDUUQYSA-N 408.415 -0.577 5 20 HBBD NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 1790137111 GAQYUZHRGWKYOY-JKOKRWQUSA-N 423.401 -0.005 5 20 HBBD CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830014592 XNQPHNJWEBNOLK-KRWDZBQOSA-N 411.415 -0.187 5 20 HBBD Cc1cc(OCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] 435799150 OXBSYZMLNLHQKX-UHFFFAOYSA-N 410.412 -0.067 5 20 HBBD Cn1c(=O)c2c(ncn2CC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n(C)c1=O 444641450 UWDLLZMDTOQHCI-UHFFFAOYSA-N 412.366 -0.465 5 20 HBBD O=C(Cn1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1)NC1CCCC1 492270158 CNDVAEWZKAIHIV-UHFFFAOYSA-N 418.414 -0.199 5 20 HBBD COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O 501818008 CRUBXGXOONUAGL-GFCCVEGCSA-N 422.394 -0.387 5 20 HBBD CS(=O)(=O)c1ccc(NCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 503463025 FHHXMFQPFYIMBZ-SNVBAGLBSA-N 420.469 -0.104 5 20 HBBD O=C([C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 511996992 NSJDPUOYCMJQJG-LBPRGKRZSA-N 417.465 -0.138 5 20 HBBD C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 512775015 MTACUIMPSMJIAW-VXGBXAGGSA-N 422.485 -0.183 5 20 HBBD O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 569292210 FHBJDAKZUUYPIW-UHFFFAOYSA-N 418.454 -0.381 5 20 HBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 609594832 KABULERNAWGQHO-GFCCVEGCSA-N 412.424 -0.140 5 20 HBBD CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O 611658700 SBVVNEXZZHZOHJ-UXOAXIEHSA-N 413.452 -0.052 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1785215805 OHNYNIJQTXZNIV-HNKHHVNMSA-N 407.427 -0.050 5 20 HBBD COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)c([N+](=O)[O-])c1 1792901045 VHHXXFKWLQGIPP-ZSBIGDGJSA-N 407.379 -0.056 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C1CCOCC1 1795325267 SEHNEDJCTYIGSV-XOIINTDNSA-N 407.427 -0.193 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H]1CCCO1 1795901098 QOKSPVZEADNTPH-IARIHHJXSA-N 420.422 -0.475 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1800281645 YLNSNRGYCLZBBA-DRXBFXEBSA-N 416.394 -0.617 5 20 HBBD O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800285405 WCOJXTLGJOKHAA-DPIQGUFMSA-N 403.399 -0.653 5 20 HBBD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CN1 1829489910 MSORKGGELSRHNH-SGTLLEGYSA-N 422.394 -0.606 5 20 HBBD C[C@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 503074428 KNZHFARLSGATNW-CYBMUJFWSA-N 400.457 -0.260 5 20 HBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 522758767 NNHFHOOTXGDBRG-LLVKDONJSA-N 401.397 -0.108 5 20 HBBD COC(=O)Cn1cc(CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nn1 533542817 NRJDPFFKHWCVNX-UHFFFAOYSA-N 406.355 -0.586 5 20 HBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCS(=O)(=O)CC1 608878670 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CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)COC1 1830025512 ATCGJYWYXNYZQZ-SFHVURJKSA-N 423.426 -0.716 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837800036 PGCRATNDZFRONE-SJKOYZFVSA-N 409.399 -0.576 5 20 HBBD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)COC1 1839776736 AWKBWJOZSDNGEK-SFHVURJKSA-N 423.426 -0.186 5 20 HBBD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840206953 MTYCUVCPJXXZCB-DYVFJYSZSA-N 411.415 -0.717 5 20 HBBD CN(CC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 470222224 FMYYWXLPCAUHBT-WCQYABFASA-N 400.413 -0.636 5 20 HBBD O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 476520837 BUUNPQUBFRQRFW-COMQUAJESA-N 413.452 -0.004 5 20 HBBD COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c([N+](=O)[O-])cc1OC 550248835 SBSHLDRCUFGSIP-DGCLKSJQSA-N 411.411 -0.121 5 20 HBBD N[C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 582736808 JHKSCRBJTVQBRG-OCCSQVGLSA-N 411.440 -0.966 5 20 HBBD COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609134044 KHUTWGYPVCRJDD-UHFFFAOYSA-N 410.202 -0.075 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 609517936 IFFUEMSHTPKNQU-AWEZNQCLSA-N 401.383 -0.358 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H](O)[C@@H]1CCOC1 609935803 VRVGWRDVUHPNFW-YPMHNXCESA-N 402.429 -0.430 5 20 HBBD CN(CC(=O)NC1CC(NS(C)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 619778556 IMUDUOAJDGYWNU-UHFFFAOYSA-N 420.469 -0.588 5 20 HBBD CCN(C(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 748916901 NWKJCZLYTIWRGP-YPMHNXCESA-N 415.424 -0.276 5 20 HBBD NC(=O)CS(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1I 766922426 MMLKTYJFOOWIHZ-UHFFFAOYSA-N 413.149 -0.256 5 20 HBBD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)C(=O)O 1795643221 BWGPRBZRLDGIDT-KVQFHVITSA-N 409.399 -0.811 5 20 HBBD Cc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 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CNC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 543824495 LBBNAJYPKNRXNO-GFCCVEGCSA-N 415.428 -0.971 5 20 HBBD CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1 750760389 YADYSLIZXHSCHE-UHFFFAOYSA-N 406.442 -0.144 5 20 HBBD O=C(/C=C\C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)NC1CC1 1778831405 WRKFNRVWLSBLNS-DDKKJVIOSA-N 418.410 -0.404 5 20 HBBD CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1780996228 ZTGLHXWVOCICDY-BEFAXECRSA-N 420.470 -0.037 5 20 HBBD O=C(Cn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1787121534 XUHZGIGSBXNUNC-OBJOEFQTSA-N 403.399 -0.192 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cc(O)nc(O)n1 1796356037 DYBKOGQVVVZCIF-IJBDUVHLSA-N 419.354 -0.964 5 20 HBBD CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)COC1 1800383623 BWMQXGMFZOTHOM-YWVIFJGQSA-N 407.427 -0.193 5 20 HBBD O=C(c1cnc(O)[nH]1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838066049 NEIDNEOGINOLGH-MRXNPFEDSA-N 421.370 -0.870 5 20 HBBD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2nc(OC)ccc2[N+](=O)[O-])C1)C(=O)O 1843585564 YWCPDDVKMLLFGV-NSHDSACASA-N 421.410 -0.122 5 20 HBBD Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)ncc1[N+](=O)[O-] 1848130029 NQDFUIRUUORYSJ-WXHSDQCUSA-N 416.394 -0.288 5 20 HBBD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165864 NUYWBDUMXAXYGA-ILXRZTDVSA-N 408.415 -0.856 5 20 HBBD CC(=O)N1CCN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 8632894 KLELUECWBGXZQF-UHFFFAOYSA-N 418.362 -0.575 5 20 HBBD Cc1nc2n(n1)CCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 439272031 KIIYHSPYFGCBIE-UHFFFAOYSA-N 409.428 -0.002 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 518423744 RZRYYXDHLXCANM-NSHDSACASA-N 400.413 -0.381 5 20 HBBD C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 533378232 CPTXVZNEYQVYDY-QWRGUYRKSA-N 417.426 -0.273 5 20 HBBD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1ccnn1 1782752528 LUZMBKRWGWLXBA-DYVFJYSZSA-N 418.414 -0.526 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 1790027732 WKWVLYRNRJTRGT-NZBMOFRJSA-N 409.418 -0.387 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2)c1nc[nH]c1[N+](=O)[O-] 1796401639 DCRQWIPRJNYOBG-DDFAGTSDSA-N 418.366 -0.766 5 20 HBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)ncc1[N+](=O)[O-] 1796603040 BKTYDKYQOGQPDW-DPIQGUFMSA-N 405.411 -0.233 5 20 HBBD Cn1cc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2=O)cn1 426875104 LYBWNKIMVVLQSP-UHFFFAOYSA-N 412.362 -0.200 5 20 HBBD C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 484743028 ALOQCCFBGBYOIB-JTQLQIEISA-N 422.485 -0.064 5 20 HBBD Cc1c(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cccc1[N+](=O)[O-] 490064421 QAWPZMZJZHOLFW-UHFFFAOYSA-N 402.371 -0.801 5 20 HBBD COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 500206810 KGYMBQUTDOBWFK-KBPBESRZSA-N 414.440 -0.293 5 20 HBBD O=C(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 590005414 OKQYCCGSXGIZOT-FVQHAEBGSA-N 424.479 -0.402 5 20 HBBD CNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CC1 748265346 DSHIFWYZXNBSCS-UHFFFAOYSA-N 401.445 -0.355 5 20 HBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 800626850 IQXCXTWBHYMZCW-JTQLQIEISA-N 403.388 -0.011 5 20 HBBD N=C(N)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 1815818533 ZRBLOHWGZPFBSQ-LBPRGKRZSA-N 418.418 -0.310 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1821734924 KQYASIPISHUGQX-NSHDSACASA-N 420.382 -0.517 5 20 HBBD O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)O1 1829481717 YABCGJINEPHDGX-SJCJKPOMSA-N 424.366 -0.634 5 20 HBBD COCCN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 57405115 NHTUFFKQEXLLGG-GFCCVEGCSA-N 414.440 -0.516 5 20 HBBD COC(=O)Cn1cc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1 441624598 RISQAZFDWPEYDX-UHFFFAOYSA-N 404.339 -0.599 5 20 HBBD COC(=O)c1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1 467308127 NNPMPPWVUSBGHA-UHFFFAOYSA-N 400.413 -0.572 5 20 HBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 468376463 DCFOEMAWHCBHDV-VXGBXAGGSA-N 417.492 -0.141 5 20 HBBD CCN(CCS(C)(=O)=O)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 753734720 NRCFFCUIUNYEOM-UHFFFAOYSA-N 422.485 -0.063 5 20 HBBD CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 918838779 GFASAYXHHBUVOO-CQSZACIVSA-N 406.395 -0.005 5 20 HBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919819839 USSZDZFSJVULNO-JTQLQIEISA-N 423.494 -0.069 5 20 HBBD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382916 MMOYARAEVFATTL-MRXNPFEDSA-N 403.355 -0.842 5 20 HBBD CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416158 PQIXKFQHOVHYFO-GTNSWQLSSA-N 408.415 -0.187 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787478168 YWRGCUDDSAIACD-DLOVCJGASA-N 417.382 -0.279 5 20 HBBD COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402538 UUYNAQONSCHHPV-DDFAGTSDSA-N 420.382 -0.031 5 20 HBBD Cc1ncncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1798199374 RFKFWEKVRWCABV-GNXNZQSNSA-N 401.383 -0.067 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccnnc1O 1798383186 HRSBMSLLQNKVHE-DOFRTFSJSA-N 403.355 -0.670 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808368363 MEGRWYDMTVKFET-SGMGOOAPSA-N 402.415 -0.682 5 20 HBBD N=C(N)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1817250539 AYAODSYXSBVQKY-GFCCVEGCSA-N 418.418 -0.310 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C(O)O)CC3)n1 1817855625 JZAPETNECWNXOL-ZETCQYMHSA-N 423.407 -0.009 5 20 HBBD COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1829940646 QLIKEVDOLGJRFO-KRWDZBQOSA-N 411.415 -0.187 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1832799670 BMTPXBFGQFAIHA-YJBOKZPZSA-N 423.426 -0.573 5 20 HBBD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838825461 WWPUOXNBUWKTDC-KPZWWZAWSA-N 423.426 -0.496 5 20 HBBD O=C1CN(CC(=O)N2CCCC23CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)C(=O)N1 1841892017 IVVMGXKLAGFFKQ-UHFFFAOYSA-N 417.378 -0.331 5 20 HBBD NC(=O)COCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 433057260 KVHYQXZLRPAWTP-AWEZNQCLSA-N 414.440 -0.244 5 20 HBBD CN(CCCNC(=O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)S(C)(=O)=O 440503879 KQWVRCLPKKIKGZ-CYBMUJFWSA-N 414.488 -0.126 5 20 HBBD COC(=O)c1cc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c(C)c([N+](=O)[O-])c1 487816610 DMMDAEVOGWSOCY-UHFFFAOYSA-N 422.394 -0.056 5 20 HBBD Cn1c(=O)c2c(ncn2CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n(C)c1=O 488746049 MFQBEEGGIDISRY-UHFFFAOYSA-N 402.415 -0.125 5 20 HBBD Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 497628174 OIVOVLNQQDFLLP-UHFFFAOYSA-N 408.396 -0.299 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 511342761 LJLXMTWKXGSSJJ-OAHLLOKOSA-N 412.380 -0.304 5 20 HBBD CNC(=O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 541974130 MHLUCPMJTVDCLR-CYBMUJFWSA-N 400.413 -0.763 5 20 HBBD C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1C(=O)CCC1=O 603679385 DRPHXLQGAKJKCI-GFCCVEGCSA-N 424.435 -0.035 5 20 HBBD CC(C)(C)NS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609736470 GVCAINDDSUASOH-UHFFFAOYSA-N 422.485 -0.293 5 20 HBBD CCNS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 731646641 ODGJSLUDLGZNCL-UHFFFAOYSA-N 408.458 -0.681 5 20 HBBD O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)CCN1 1784037180 ZSKRBQCLCVTVHT-GTNSWQLSSA-N 406.399 -0.712 5 20 HBBD 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CNc1ccc(S(=O)(=O)NCC(=O)OCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] 790632820 SIGNPERRZRSFPA-UHFFFAOYSA-N 421.453 -0.107 5 20 HBBD CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 801438654 HIVGDNRESAAZCS-LLVKDONJSA-N 414.440 -0.048 5 20 HBBD COCCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921154724 BZKQSVOWKPEYED-UHFFFAOYSA-N 409.442 -0.950 5 20 HBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040290 LKIHVVGPKHUEFK-FJYOLZCZSA-N 420.422 -0.246 5 20 HBBD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1783141571 DGTAPBVUBDCELE-GOSISDBHSA-N 406.395 -0.120 5 20 HBBD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ncc1[N+](=O)[O-] 1783161393 SNRLVIJEVZMIPG-DJJJIMSYSA-N 417.422 -0.122 5 20 HBBD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1796322711 YCUYTUUSZZHJJA-MIJXAVMKSA-N 408.415 -0.427 5 20 HBBD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c([N+](=O)[O-])c1 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CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830513956 LJBBORXRMLJNHG-RHSMWYFYSA-N 411.415 -0.981 5 20 HBBD CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796257 QFDMKXCROGGLJC-KRWDZBQOSA-N 411.415 -0.716 5 20 HBBD COC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 429480963 MUKGRWVZCOKMTQ-CHWSQXEVSA-N 401.397 -0.602 5 20 HBBD O=C(CN1CCOCC1)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 541281125 MKFNMZOETOYVFX-MRXNPFEDSA-N 408.455 -0.189 5 20 HBBD CCc1[nH]nc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 558250904 PVDWLKBFUVVKER-UHFFFAOYSA-N 416.460 -0.349 5 20 HBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 610263910 NKQZXTLMCQABCS-LLVKDONJSA-N 408.458 -0.243 5 20 HBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1782970702 WKJHQLRTECEULL-YJBOKZPZSA-N 409.418 -0.608 5 20 HBBD N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1795538965 VOIKKPLRNXYUPV-WDAIWFPHSA-N 408.390 -0.580 5 20 HBBD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796848646 VZHINYCYXLVIJQ-ILWJIGKKSA-N 405.371 -0.879 5 20 HBBD O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801261090 ZANXBVCNBMWEKD-FVCICTRLSA-N 418.414 -0.937 5 20 HBBD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831033550 XJEXIHALMVIYRU-INIZCTEOSA-N 413.387 -0.993 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837794222 LCWWFHYLPWTGDY-CXAGYDPISA-N 409.399 -0.433 5 20 HBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)c1 1838544114 UFTFZVBIJHKZJJ-IBGZPJMESA-N 421.454 -0.311 5 20 HBBD C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1839159269 SLTCSLBYAHRFJW-SJKOYZFVSA-N 410.383 -0.608 5 20 HBBD CNC(=O)CN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 469032659 RMFJVRSCCSQMOK-UHFFFAOYSA-N 414.440 -0.130 5 20 HBBD COC(=O)C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 487859837 NPQROWBEBAOEKI-SNVBAGLBSA-N 401.397 -0.045 5 20 HBBD CCNC(=O)CN1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 516385985 YDUQDDBHSCOJFH-UHFFFAOYSA-N 419.438 -0.009 5 20 HBBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 546172261 IQHIASSGBAVYDD-MNOVXSKESA-N 405.454 -0.188 5 20 HBBD Cn1nnnc1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 611315839 JHUQBVVWDMVNAQ-LBPRGKRZSA-N 423.455 -0.122 5 20 HBBD C[C@@H](Cn1cncn1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611633267 XLXNREPTNALYSE-OBJOEFQTSA-N 424.439 -0.485 5 20 HBBD CN1C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 611639932 FBVRJWMDYLCYTE-GVXVVHGQSA-N 412.424 -0.934 5 20 HBBD COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] 918826211 TXVHNUBGQDKBNL-SNVBAGLBSA-N 410.383 -0.531 5 20 HBBD O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1787089982 ZEHLJAWWMFQYAN-GVXVVHGQSA-N 405.371 -0.532 5 20 HBBD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1)n1ccnn1 1788813227 IQXYCTJBGIDLJK-MNXVOIDGSA-N 418.414 -0.236 5 20 HBBD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999890 CXAYKOAZOAEUKT-DPIQGUFMSA-N 409.399 -0.666 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1832802845 CQWCXMZEHRNWRQ-GOSISDBHSA-N 421.410 -0.448 5 20 HBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835190901 GNECZRIZVQVDJF-GOSISDBHSA-N 423.426 -0.186 5 20 HBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)ncc1[N+](=O)[O-] 1843518206 VVAAJGIIVXCLSI-UHFFFAOYSA-N 421.454 -0.598 5 20 HBBD CN1CCN(C(=O)CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 46227633 YGOBPOPJGAGRDL-UHFFFAOYSA-N 405.459 -0.015 5 20 HBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCN2C(=O)NC[C@@H]2C1 431362723 NJIFPRHZZAYLHA-SNVBAGLBSA-N 405.367 -0.069 5 20 HBBD NS(=O)(=O)c1cc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1 432130401 OJLLVDVQCUHKFP-LLVKDONJSA-N 404.470 -0.449 5 20 HBBD CN1CCN(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O 435939528 VPSUMKMSKHVBNU-UHFFFAOYSA-N 413.456 -0.700 5 20 HBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1nnnn1CC1CC1 472697802 IDMYSUUXRWNIRI-UHFFFAOYSA-N 409.428 -0.024 5 20 HBBD Cn1c(N)c(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(=O)n(C)c1=O 502135659 MSYBTNFLMCBGFS-UHFFFAOYSA-N 414.172 -0.619 5 20 HBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 503459135 QMBSJBNJXIQISG-UHFFFAOYSA-N 406.486 -0.627 5 20 HBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc(CO)nn2)C1 504991861 PSGLAXBGJBPTKZ-ZDUSSCGKSA-N 424.439 -0.179 5 20 HBBD Cn1c(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(O)nc(=O)n2C 513173171 JAPJZSGFDUGVKD-UHFFFAOYSA-N 423.411 -0.329 5 20 HBBD CN(C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 532894140 NWHOVOKCLSMCDB-UHFFFAOYSA-N 419.438 -0.439 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 543183075 HLSRQFJVCUPLMH-ZDUSSCGKSA-N 414.440 -0.001 5 20 HBBD CCn1cc(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c([N+](=O)[O-])n1 548585515 TVFXAIXANNYLAN-JTQLQIEISA-N 415.428 -0.103 5 20 HBBD CCOc1cc(N2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 551270986 IOQABOHEHIBCHH-UHFFFAOYSA-N 407.427 -0.154 5 20 HBBD O=C(NCCOC[C@H]1CCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 557123297 LDMBESXRKMNGQK-OAHLLOKOSA-N 407.427 -0.050 5 20 HBBD O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656600 ZZDUICJKDDJIBQ-XFMPKHEZSA-N 411.436 -0.228 5 20 HBBD CCS(=O)(=O)CCN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 759442100 KELHDYZNUFPIJX-UHFFFAOYSA-N 422.485 -0.051 5 20 HBBD CCS(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 767395848 TYNTUIRGTHTSFB-UHFFFAOYSA-N 414.440 -0.274 5 20 HBBD CC(C)c1[nH]nc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 796255553 TVJASQBEWNAEOP-UHFFFAOYSA-N 405.433 -0.004 5 20 HBBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781984421 OHIJGOXLSQJHQJ-GOSISDBHSA-N 422.417 -0.031 5 20 HBBD CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785615 PDABALCGMPLKNY-LPHOPBHVSA-N 422.438 -0.397 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1cnsn1 1785658282 SCOVQFFAJOUWDZ-JKOKRWQUSA-N 421.439 -0.064 5 20 HBBD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 1794006706 ZWSZUIMTCUUZNO-FUPDMNAWSA-N 407.383 -0.588 5 20 HBBD N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795503845 UXYGLTYUJFONLP-WDAIWFPHSA-N 411.444 -0.992 5 20 HBBD CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011980 HBCXAMCSFNFHDF-XFMPKHEZSA-N 422.442 -0.174 5 20 HBBD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798743965 RBUXXGTUPVBVND-QHBPRCKVSA-N 408.415 -0.603 5 20 HBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1832173809 UJIQNGZUDREMJD-LJQANCHMSA-N 406.439 -0.058 5 20 HBBD CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826727 XJYOTCHSQOGSMU-GOSISDBHSA-N 409.443 -0.055 5 20 HBBD CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 28993699 XKZHSSONQCCAQU-SNVBAGLBSA-N 420.469 -0.310 5 20 HBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 433971447 YPOQXFHTDBWOJR-INIZCTEOSA-N 411.440 -0.217 5 20 HBBD COCC(=O)N1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 502809440 JCPKHDCLKQRSTP-UHFFFAOYSA-N 404.383 -0.596 5 20 HBBD CN(CC(=O)N1CC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 504191354 PQTLTCNUOFBEBZ-CYBMUJFWSA-N 405.454 -0.139 5 20 HBBD CN(C)CCNS(=O)(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 505787991 SSCPDLOXMDEWAI-UHFFFAOYSA-N 413.456 -0.004 5 20 HBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 609880969 QMRZTVWBARKQHP-LBPRGKRZSA-N 406.395 -0.014 5 20 HBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744040424 KDNQMSOJFSUMRN-FIXIBIHLSA-N 423.403 -0.129 5 20 HBBD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1[N+](=O)[O-] 1785630957 GNBNTRYLHLKSDY-IBGZPJMESA-N 419.438 -0.056 5 20 HBBD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1787406882 HKRFSGZIDGFRNG-BJDJZHNGSA-N 423.430 -0.642 5 20 HBBD N=C(N)SCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477341 PKAULVTZTRICIP-GUBZILKMSA-N 411.444 -0.462 5 20 HBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n(C)n1 1794344112 NNMYPAQPJWEDKS-WDAIWFPHSA-N 419.398 -0.423 5 20 HBBD Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])cn1 1796404368 PGIDZTHNWJWHGA-DABQJJPHSA-N 403.399 -0.503 5 20 HBBD NC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 1815820254 OKKSUWRYIVMRGV-AAEUAGOBSA-N 405.419 -0.507 5 20 HBBD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835596205 RIOBIXIAZZEBAV-YEWDVWPNSA-N 424.458 -0.239 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837794223 LCWWFHYLPWTGDY-DYVFJYSZSA-N 409.399 -0.433 5 20 HBBD O=C(C1=COCC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837800022 OROBGTRBPCNQFZ-KRWDZBQOSA-N 407.383 -0.308 5 20 HBBD Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838825781 QXCLTHYDEBERSG-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)CC1 464230769 KZZAIDYXZFFKSZ-UHFFFAOYSA-N 406.442 -0.687 5 20 HBBD CNC(=O)COc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)c1 484102852 DKQOWFKZDDRRPW-UHFFFAOYSA-N 404.383 -0.021 5 20 HBBD COCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1c(O)nc(=O)n(CC(C)C)c1N 491108801 HLNQLHIDLSNLAL-UHFFFAOYSA-N 409.403 -0.029 5 20 HBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 502386706 QCEQGGFOKKKKIF-LSDHHAIUSA-N 403.461 -0.721 5 20 HBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 502845838 ONQNWHRPBQXMIF-NSHDSACASA-N 424.439 -0.373 5 20 HBBD O=C(NCCn1ncnn1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 610924598 JHGBGGAYKDAEJC-CQSZACIVSA-N 409.428 -0.059 5 20 HBBD C[C@@H](O)c1cn(C2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)nn1 779555496 KQBDMDVESJUUPG-SECBINFHSA-N 400.351 -0.081 5 20 HBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 920115620 XLKHTFZUKWIPKK-NSHDSACASA-N 413.412 -0.192 5 20 HBBD O=C(c1cc(O)nc(O)n1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381842 PNTMESUIQLPSCA-INIZCTEOSA-N 419.354 -0.724 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1781366475 CPVJRICIBQKVGB-APPDUMDISA-N 406.399 -0.618 5 20 HBBD O=C(CN1CCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786731792 FUQVDPWFQDCKJW-AVGNSLFASA-N 420.426 -0.466 5 20 HBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1793107346 HNYSITQGYHMJMD-VIQOOVDJSA-N 417.382 -0.523 5 20 HBBD Nc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)s1 1795687118 MCJNXHVBTKMWKS-AKZRSSKFSA-N 407.412 -0.126 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)n1 1796719117 IFKMUHKMBSMCTB-CULMDFNYSA-N 421.410 -0.533 5 20 HBBD Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)[nH]1 1837792725 CCEBNQNLVWFNTH-KRWDZBQOSA-N 419.398 -0.267 5 20 HBBD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)n[nH]1 1837797016 NRDFBECUKOGFOS-QGZVFWFLSA-N 419.398 -0.267 5 20 HBBD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838680254 PKEHSVIVXFJAQR-QGZVFWFLSA-N 419.398 -0.267 5 20 HBBD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413656 MLPIIQAAYFYQJP-IBGZPJMESA-N 422.438 -0.068 5 20 HBBD COC(=O)[C@@H](CF)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 489653175 IDCPGCZPDIWRJN-UMNHJUIQSA-N 419.387 -0.654 5 20 HBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 490075913 MMGUSRWGDFUTLW-UHFFFAOYSA-N 402.371 -0.801 5 20 HBBD CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 502807428 BYCNQMSOEAHFBA-UHFFFAOYSA-N 410.412 -0.809 5 20 HBBD C[C@H]1C[C@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 530413566 QCQCOYKZUQRVFB-ZFWWWQNUSA-N 412.468 -0.117 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=S)NCC(N)=O)CC2)cc1[N+](=O)[O-] 727065854 CAQRNWVITKCJOI-UHFFFAOYSA-N 417.469 -0.731 5 20 HBBD O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)O[C@@H]1CCNC1=O 769948014 CRARRVGVJGLPDO-CQSZACIVSA-N 412.424 -0.095 5 20 HBBD O=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cnn[nH]1 805610265 YUYUQTHKYVULTP-UHFFFAOYSA-N 424.395 -0.597 5 20 HBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 813947707 UIOUSMIBODLTDA-UHFFFAOYSA-N 422.423 -0.081 5 20 HBBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1ccnc1 1793144468 SGDHAPCCUBSRIM-FMSGJZPZSA-N 403.399 -0.021 5 20 HBBD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793319076 GMVXZKSOBSVDFZ-QHBPRCKVSA-N 414.440 -0.439 5 20 HBBD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1796322710 YCUYTUUSZZHJJA-FBKDDSFISA-N 408.415 -0.427 5 20 HBBD Nc1n[nH]c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])n1 1796851744 SDTSQCVJJQZFSW-ILWJIGKKSA-N 403.403 -0.097 5 20 HBBD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])n1ccnn1 1798012249 JZVMWKXMIPRECN-KQXIARHKSA-N 404.387 -0.626 5 20 HBBD O=C(CCc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1801409368 CUNQCCHIKQEXOZ-DRXBFXEBSA-N 415.410 -0.056 5 20 HBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@H]1SC(=N)NC1=O 1843406315 CVLRMNIXAFYMFK-LDYMZIIASA-N 421.439 -0.063 5 20 HBBD O=C(CN1CCOCC1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824114 DSDJWPGLLCOQGD-UHFFFAOYSA-N 419.438 -0.708 5 20 HBBD O=C(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(F)F 430677497 QKLNAYLTLVQXSG-UHFFFAOYSA-N 409.371 -0.446 5 20 HBBD COC[C@](C)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 465143975 BXXXTPNWEVHTQV-HNNXBMFYSA-N 403.413 -0.090 5 20 HBBD COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCO1 488046664 DRSXVPWXYNHMMY-HNNXBMFYSA-N 415.424 -0.006 5 20 HBBD CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C 498880762 OWTOOAGVURSWJQ-CYBMUJFWSA-N 415.424 -0.028 5 20 HBBD CC(C)N(CC(N)=O)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 507863664 ZNNHJTPEMNXTAD-YPMHNXCESA-N 414.440 -0.559 5 20 HBBD CN(CC(=O)Nc1cc(N(C)[C@H]2CCNC2=O)ccc1[N+](=O)[O-])[C@H]1CCNC1=O 536179322 JGLWKURZOLGOAG-GJZGRUSLSA-N 404.427 -0.322 5 20 HBBD Cc1c(C(=O)N(CCO)CCN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 611136443 USNYAUOMIOHCBP-UHFFFAOYSA-N 416.456 -0.683 5 20 HBBD CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 727937504 YTHQXDOTLWBFLQ-UHFFFAOYSA-N 408.458 -0.393 5 20 HBBD 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O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCS1(=O)=O 482899095 QMKWLWBWAVDCTI-CYBMUJFWSA-N 420.469 -0.251 5 20 HBBD COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 501646267 POCLACAWIMSWGH-CQSZACIVSA-N 421.410 -0.326 5 20 HBBD COCCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 512346904 POIIFBRJIBDLAV-UHFFFAOYSA-N 407.427 -0.769 5 20 HBBD COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 525699745 AOHBIFABNKRIEU-UHFFFAOYSA-N 410.412 -0.130 5 20 HBBD CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 604524563 RWRBEDZKNCUAKR-CYBMUJFWSA-N 413.456 -0.066 5 20 HBBD CCOC(=O)CCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609740227 DGBZMMUJNLVBJT-UHFFFAOYSA-N 409.442 -0.254 5 20 HBBD COCC(=O)N[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 610153452 SAZQEZMHXBQVFE-HNNXBMFYSA-N 416.456 -0.224 5 20 HBBD COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 728566830 IOXXYVMWDZBSOM-CQSZACIVSA-N 415.424 -0.006 5 20 HBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CC(NS(C)(=O)=O)C1 801456941 FFAPSQKPGQRYEZ-UHFFFAOYSA-N 401.397 -0.009 5 20 HBBD O=C(Cc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1785423055 PURQYHYZTYJQRV-OBJOEFQTSA-N 415.410 -0.056 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1794000701 ZACQOSZHXOBZGU-CULMDFNYSA-N 417.382 -0.810 5 20 HBBD O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000325 MYYRVUMIWIJKQR-CYBMUJFWSA-N 411.440 -0.428 5 20 HBBD O=C([C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 16735351 LOAYAYMZZULQRQ-LBPRGKRZSA-N 417.465 -0.138 5 20 HBBD O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 438793709 RCMGDBSCXFVWBP-GFCCVEGCSA-N 412.366 -0.322 5 20 HBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 487444252 AVBIFRJCXHHQPN-CQSZACIVSA-N 418.476 -0.127 5 20 HBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 487989529 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O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CCN1 1846424479 LFMWJOURCPEGAJ-CYBMUJFWSA-N 417.422 -0.514 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)ncn1 1847892560 ZHRFQYCZQWLTDM-STQMWFEESA-N 414.378 -0.232 5 20 HBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 471049239 VKOXSUWDXFGHJY-UHFFFAOYSA-N 401.445 -0.552 5 20 HBBD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)C[C@@H](C)O1 476082005 XSQCQSKFXXMHJB-TXEJJXNPSA-N 416.460 -0.560 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(-n3cnnc3[S@](C)=O)c([N+](=O)[O-])c2)CC1 510622723 NIQGHESFEJLZQZ-SANMLTNESA-N 414.469 -0.151 5 20 HBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 609518052 RJMYOCOJSZVQDE-LBPRGKRZSA-N 417.378 -0.956 5 20 HBBD Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 611941384 ZUJJYLPJUAXLNU-UHFFFAOYSA-N 409.428 -0.061 5 20 HBBD O=C(NCCCn1ccnn1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 612362854 HKSKFBZXZKLKKI-OCCSQVGLSA-N 424.439 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O=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)CN1 1788814051 UXLHBHKBEKHDHH-NOHGZBONSA-N 406.399 -0.953 5 20 HBBD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)n1cncn1 1791611976 KQJDCKUKSBHHGV-VOAKCMCISA-N 418.414 -0.236 5 20 HBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)=NN1 1797684359 VMLZUGZOGIWTRI-CULMDFNYSA-N 417.378 -0.621 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1800281583 RNDNLXQGKLSYOW-DRXBFXEBSA-N 417.378 -0.352 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1800283882 ITJYZTQXHDRJNH-GNXNZQSNSA-N 418.366 -0.957 5 20 HBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358706 GFIFCEHRVCXJDP-REBRKWNGSA-N 419.438 -0.081 5 20 HBBD N=C(N)SCCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824123 GLIQHBTUPPQEJH-UHFFFAOYSA-N 422.467 -0.023 5 20 HBBD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825211 DPTZVRWUPYUEGE-LBPRGKRZSA-N 405.411 -0.516 5 20 HBBD Cc1nc2n(n1)CCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 439181253 ZWPLREZWZVWYPT-UHFFFAOYSA-N 409.428 -0.002 5 20 HBBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 444030178 KCLNYAAXHIEUTD-HIFRSBDPSA-N 419.481 -0.488 5 20 HBBD COc1ccc(OCCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 498972245 ZMURSKWPHUFUMF-HOTGVXAUSA-N 415.468 -0.242 5 20 HBBD COCCNCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 509788392 QULLITRWWYVSBK-UHFFFAOYSA-N 400.457 -0.028 5 20 HBBD COC(=O)CN(CCN1CCOCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 538293125 GDSKMRSWLCMXFT-UHFFFAOYSA-N 402.429 -0.446 5 20 HBBD COCC[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(N)=O 539394904 YEVCIPJJOKPXDU-AWEZNQCLSA-N 415.472 -0.167 5 20 HBBD CN(CC(=O)N1CCOCC1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 604436466 ZUELXDLTDJVJQV-UHFFFAOYSA-N 414.440 -0.420 5 20 HBBD COC[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 610201222 PTDLRWHYWPLWMT-NSHDSACASA-N 402.429 -0.082 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 619873904 IMSSNYUTAAXXLX-ZDUSSCGKSA-N 405.367 -0.009 5 20 HBBD NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 769589894 VUHVRQBWSAKPOM-LBPRGKRZSA-N 412.424 -0.010 5 20 HBBD NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)Cn1cc([N+](=O)[O-])cn1 913304952 BGBHAAZIPITVLE-UHFFFAOYSA-N 409.380 -0.429 5 20 HBBD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)CC1 1778260803 LFPOUJWMNDGQCB-SFHVURJKSA-N 421.458 -0.991 5 20 HBBD Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796606958 GTEBVLNGFRSZQI-DRXBFXEBSA-N 403.399 -0.274 5 20 HBBD CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837260489 PVCHVOHVHPKTDL-SNQZOLJRSA-N 409.399 -0.062 5 20 HBBD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)n[nH]1 1837797015 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COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1F 802803804 VGEOBIGFXXVWDJ-UHFFFAOYSA-N 405.295 -0.244 5 20 HBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 816463190 CKGKYTLGQYUIBT-CYBMUJFWSA-N 423.407 -0.012 5 20 HBBD CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792533011 PSOSNEGJZPEEPF-YXPYIKCWSA-N 422.442 -0.704 5 20 HBBD O=C(CCc1cn[nH]c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794061507 QELSNMVKJSMXSR-ZSBFGKGUSA-N 417.426 -0.263 5 20 HBBD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])o1 1798010949 MCDAGDLSBQGYJU-WDAIWFPHSA-N 405.371 -0.545 5 20 HBBD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)c([N+](=O)[O-])c1 1799821381 HIQAVMRLKSCSHL-DRXBFXEBSA-N 406.395 -0.457 5 20 HBBD O=C(Cn1cnnn1)N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820299168 YZVJFEISNFEWNG-SSDOTTSWSA-N 418.399 -0.313 5 20 HBBD 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COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 499990043 GLIFEGUQCVCOIO-UHFFFAOYSA-N 424.391 -0.154 5 20 HBBD CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 523980956 VCFJFRJTQGVASO-NSHDSACASA-N 420.469 -0.298 5 20 HBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 538273519 JFKOXSFMPUTIPB-JTQLQIEISA-N 408.458 -0.203 5 20 HBBD Cn1ncc([N+](=O)[O-])c1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 539711639 VMIZEZIXBPJLDZ-UHFFFAOYSA-N 423.407 -0.098 5 20 HBBD CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O 611659542 BHQXULMIVCHPIE-WXHSDQCUSA-N 412.424 -0.934 5 20 HBBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 772988750 POVCQMBSRYDGCK-UONOGXRCSA-N 414.396 -0.581 5 20 HBBD COc1c(S(=O)(=O)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)nn1C 778859963 RTPCVJCOUPKPCP-UHFFFAOYSA-N 411.396 -0.120 5 20 HBBD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)cc1[N+](=O)[O-] 1781303428 ABEHLTWDMJYBKS-HNAYVOBHSA-N 405.455 -0.438 5 20 HBBD C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829488891 YEWKNSXZUSHZGJ-SJKOYZFVSA-N 410.383 -0.608 5 20 HBBD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838824970 CLGBWKZFWBOALT-KRWDZBQOSA-N 409.399 -0.871 5 20 HBBD O=C(Cc1cc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839722206 YHWLBQRDROZVAQ-SFHVURJKSA-N 418.410 -0.041 5 20 HBBD O=C1CN(CC(=O)N2CCCC23CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C3)C(=O)N1 1841890359 AVRXTZQWAMSGFK-UHFFFAOYSA-N 415.406 -0.108 5 20 HBBD O=C1NC(=O)[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 535317421 FQNWAODMZYEATG-JTQLQIEISA-N 411.396 -0.974 5 20 HBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 540567157 MMNOOMLIWKWYBB-LLVKDONJSA-N 420.469 -0.587 5 20 HBBD CS(=O)(=O)N1CCN(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 611746113 FBFXHKZFNAAHSS-UHFFFAOYSA-N 407.474 -0.769 5 20 HBBD CC[S@@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1778817295 KWRYMUZMWIALJT-DEXQXJORSA-N 413.456 -0.080 5 20 HBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1780416979 OCMZDACPUGCCHP-SJLPKXTDSA-N 423.426 -0.983 5 20 HBBD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)n1 1785871781 LIJKCQHAAAFFCT-UBHSHLNASA-N 418.414 -0.787 5 20 HBBD CNC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 468092937 AIMAGKWFGHQCDX-LLVKDONJSA-N 414.444 -0.414 5 20 HBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 485678045 ZQHUOCQNDUOBNB-CYBMUJFWSA-N 413.408 -0.487 5 20 HBBD CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 523085588 MJMQZQUFSFTOHE-GFCCVEGCSA-N 405.454 -0.139 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 561240530 NFLDLPUEQHNACG-HOTGVXAUSA-N 413.452 -0.030 5 20 HBBD CN(CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 604524537 CIPZWELGHLGLFQ-UHFFFAOYSA-N 401.445 -0.208 5 20 HBBD C[S@@](=O)CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 735101245 DZSGOZMOAYZDOM-RUZDIDTESA-N 404.470 -0.011 5 20 HBBD Cc1nn(C)c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 747227853 YNEKPCDFQZHPCJ-NSHDSACASA-N 407.474 -0.724 5 20 HBBD CNS(=O)(=O)[C@H]1CCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)C1 750516562 KWBSDXDSIPMDJJ-NSHDSACASA-N 401.397 -0.055 5 20 HBBD NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781774350 LSCBCKRVNWQKID-QGZVFWFLSA-N 409.374 -0.154 5 20 HBBD O=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc([N+](=O)[O-])[nH]4)[C@H]3C2)CN1 1789392737 AAECJLFGYQXVKX-OPDFLTKYSA-N 405.411 -0.348 5 20 HBBD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795131019 XRBVUABNFWYALY-DPIQGUFMSA-N 409.399 -0.666 5 20 HBBD Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1795812437 JHPDSIURRVFEPR-QHBPRCKVSA-N 403.399 -0.503 5 20 HBBD CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800283206 BPXMCZORFNTXTA-ZSBFGKGUSA-N 422.438 -0.227 5 20 HBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C2(CC2)C1 428185363 MEHQHGXWOYXSRN-OSAQELSMSA-N 411.436 -0.298 5 20 HBBD COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 429497119 ZGWRVADCJNDOSC-RISCZKNCSA-N 415.424 -0.354 5 20 HBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 554870127 OHLTTZHWPKSLJY-UHFFFAOYSA-N 422.423 -0.013 5 20 HBBD CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 561062024 AOFOLNGMILNKOL-LLVKDONJSA-N 420.469 -0.635 5 20 HBBD C[C@@H](CCO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655692 CEEMTCNSVATUFG-SCRDCRAPSA-N 401.441 -0.147 5 20 HBBD O=C(NCCS(=O)(=O)N1CCOCC1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 770440846 RSUOCBFUXRBSNY-UHFFFAOYSA-N 412.428 -0.068 5 20 HBBD C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(N)=O)C1 921635209 RADAVSNFXXWURJ-YPMHNXCESA-N 406.395 -0.020 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788116626 BNHOPBGLNBUEQU-NRLBWEKTSA-N 407.427 -0.458 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788816318 PSJBQMJTPPLLPT-GVXVVHGQSA-N 404.387 -0.797 5 20 HBBD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1 1835308055 TWZOHALJSOVDPZ-ACJLOTCBSA-N 421.410 -0.729 5 20 HBBD CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793054 UUXQHHFUOCGMIS-YOEHRIQHSA-N 411.415 -0.595 5 20 HBBD O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828329 UBGCZENWWXNKEX-UHFFFAOYSA-N 401.316 -0.535 5 20 HBBD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427382265 LWHXMFKDNDWGIL-UHFFFAOYSA-N 419.398 0.504 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)NC(C)C 469274767 NRBVHQSLFQPEGP-UHFFFAOYSA-N 409.442 -0.013 5 20 HBBD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 474252360 AMYCKKCOENYEBF-UHFFFAOYSA-N 424.439 -0.412 5 20 HBBD COC(=O)Cn1cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 532738096 OFFPUJSNGIOVGR-UHFFFAOYSA-N 404.387 -0.214 5 20 HBBD COc1ccc(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1[N+](=O)[O-] 542074602 XIBXHMKRXYDIPD-UHFFFAOYSA-N 416.394 -0.016 5 20 HBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 575078433 GTDIBZYBGMJBGN-MNOVXSKESA-N 400.413 -0.058 5 20 HBBD O=C(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)NCCN1CCOCC1 609533173 ZAALZSLCVZOTFO-UHFFFAOYSA-N 403.399 -0.646 5 20 HBBD CC[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 727057875 KEVICKCBGMDVBF-CYBMUJFWSA-N 400.457 -0.212 5 20 HBBD Cc1c(C(=O)OCC(=O)N2CCO[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735542609 VTLMHISZIYMOTO-SECBINFHSA-N 401.397 -0.045 5 20 HBBD O=[N+]([O-])c1ccc(N2CC[C@@H](CO)[C@H](O)C2)c(S(=O)(=O)N2CCOCC2)c1 757693462 OQWVAASKNRWPNQ-SWLSCSKDSA-N 401.441 -0.205 5 20 HBBD C[C@H](O)c1cn(C2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 779560014 ZCZOEOLFXHWSNT-NSHDSACASA-N 424.439 -0.009 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1785214963 IRVCWJLQMJWWDQ-TUUVXOQKSA-N 404.427 -0.701 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788809833 OXPGENBNNHSPMK-WHOFXGATSA-N 415.410 -0.056 5 20 HBBD CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792535508 CGQAHZNXALYOGQ-OPDFLTKYSA-N 408.415 -0.564 5 20 HBBD O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)N1 1795702707 FLJROJASXIQPTP-CRWXNKLISA-N 417.422 -0.327 5 20 HBBD CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405162 CZJOGDIDJZOEOK-WRWGMCAJSA-N 413.456 -0.365 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1n[nH]cc1[N+](=O)[O-] 1798010762 LLRHNTKXJQMZGK-DIYOJNKTSA-N 420.342 -0.534 5 20 HBBD Cn1nncc1C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823964 LUENLHCSKYSMCE-UHFFFAOYSA-N 401.383 -0.598 5 20 HBBD CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 435810936 UYMZXUJYMSOZHX-UHFFFAOYSA-N 402.477 -0.014 5 20 HBBD COCC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 461638777 ATALHDYMZDJRMA-ZDUSSCGKSA-N 403.413 -0.090 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 489457650 ONSMYGSXAMPOKC-WFASDCNBSA-N 410.452 -0.065 5 20 HBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 499672959 YJXOPPQUCVXHDB-QMTHXVAHSA-N 414.440 -0.735 5 20 HBBD CN(CC(=O)Nc1cc(N(C)[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O 586779990 KCUDFEYAMQMDSX-QBPKDAKJSA-N 410.427 -0.579 5 20 HBBD C[S@](=O)CCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 754301284 DGEGCPFZTUKBOM-NDEPHWFRSA-N 408.436 -0.287 5 20 HBBD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378318 KWETZEKDCDKEMJ-PIGZYNQJSA-N 408.415 -0.324 5 20 HBBD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)nn1C 1780433609 WFNXCAUUEPHIGJ-KRWDZBQOSA-N 419.398 -0.183 5 20 HBBD O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)CCO3)C2)CN1 1783167500 DDHVLRBBPMAKEK-DJJJIMSYSA-N 418.406 -0.120 5 20 HBBD CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)CCC1=O 1792352585 ATKJTWBLDAVELI-CULMDFNYSA-N 419.394 -0.001 5 20 HBBD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1 1798748890 DEWLCUDQCZQMOH-OVZMXSCWSA-N 405.411 -0.348 5 20 HBBD O=C(c1ccncn1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796076 LOAFHYJYUPYVGB-KRWDZBQOSA-N 417.382 -0.508 5 20 HBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1837799993 NMINRDCEMSDLND-UGSOOPFHSA-N 423.426 -0.186 5 20 HBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848468 LOAQVXNDQAULSA-UHFFFAOYSA-N 417.378 -0.331 5 20 HBBD COC(=O)C1(C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CC1 1846018456 CGAHPDZXMRMSIG-UHFFFAOYSA-N 418.406 -0.087 5 20 HBBD O=C(Cn1nnc(C2CC2)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 433050487 CCDULEUYXZPLQT-UHFFFAOYSA-N 421.439 -0.008 5 20 HBBD COC(=O)[C@H]1COCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 471485801 RZVZHYBSBLKIPL-CYBMUJFWSA-N 401.397 -0.384 5 20 HBBD Cn1cnn(CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1=O 538854979 DURBEAYYYPTQIK-UHFFFAOYSA-N 424.439 -0.758 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 542920892 UPSZKFPHDKZZCX-UHFFFAOYSA-N 423.407 -0.189 5 20 HBBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 567269989 FLTZFKAUYLAODZ-DZGCQCFKSA-N 412.468 -0.071 5 20 HBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1cnn2c1OCCC2 816205897 QSCYYVWNYJINEN-UHFFFAOYSA-N 409.380 -0.191 5 20 HBBD C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cn1cc([N+](=O)[O-])cn1 913305039 HGSHWQUFOSOGLQ-JTQLQIEISA-N 423.407 -0.040 5 20 HBBD O=C(CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] 1116428364 UCHVKGNTIXTIFV-HOTGVXAUSA-N 412.468 -0.301 5 20 HBBD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1)n1ccnn1 1782758778 FRCXQLPHEIUQCS-ZBEGNZNMSA-N 404.387 -0.386 5 20 HBBD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277427 GFFKHTKESZXCBP-CLLJXQQHSA-N 423.499 -0.087 5 20 HBBD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403707 PCSJYGUKRMGMCI-CLLJXQQHSA-N 422.442 -0.317 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cncc(O)c1 1800810655 RCBPLSCAACBCBV-GNXNZQSNSA-N 402.367 -0.065 5 20 HBBD O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999104 FFUVJQTXNBXURK-UHFFFAOYSA-N 403.355 -0.490 5 20 HBBD O=[N+]([O-])c1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 98083036 VQGSMNYIKPJMGJ-LSCFUAHRSA-N 402.367 -0.042 5 20 HBBD Cn1cc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2=O)cn1 426858714 XAMJNDQHRCXHRD-UHFFFAOYSA-N 414.378 -0.071 5 20 HBBD CC(C)(NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 460846473 MHAXLYNTFRSQEO-UHFFFAOYSA-N 408.458 -0.683 5 20 HBBD C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 462519644 CSOBDILPLFVXAC-VXGBXAGGSA-N 422.485 -0.183 5 20 HBBD Cc1cc(S(=O)(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)ccc1[N+](=O)[O-] 466732258 ZWVSLJOGTSZYNW-UHFFFAOYSA-N 424.439 -0.446 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@H](C1)O2 549097941 VLNZVDIHMZSBSP-BETUJISGSA-N 400.413 -0.318 5 20 HBBD CN(CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])c(F)cc1N)S(C)(=O)=O 758080179 UKYZBDALHATISV-UHFFFAOYSA-N 406.392 -0.129 5 20 HBBD Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 919128167 AIIPMCBTMPLKJO-UHFFFAOYSA-N 423.407 -0.261 5 20 HBBD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1778954895 PEELJJISHWNJHA-APPDUMDISA-N 423.430 -0.531 5 20 HBBD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476531 RODYKCKKHGYKEA-AVGNSLFASA-N 422.442 -0.174 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813271 JHKLGPVTRHDIIY-AUTRQRHGSA-N 405.371 -0.346 5 20 HBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 30698493 WJINCLKJIPYIRH-UHFFFAOYSA-N 403.486 -0.094 5 20 HBBD CN(C)CCCNS(=O)(=O)c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 50956423 RTKZZFKNOKJCRS-OAHLLOKOSA-N 415.472 -0.485 5 20 HBBD Cc1cc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 437383152 HQWZUTYRJOJFQC-HOTGVXAUSA-N 413.452 -0.416 5 20 HBBD C[C@H]1CO[C@H](C)CN1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 462512023 OOTDDZSIYIORTM-NWDGAFQWSA-N 422.485 -0.183 5 20 HBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 472701791 WBJLYONLBWNSBC-UHFFFAOYSA-N 423.401 -0.325 5 20 HBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 499639238 CYBGFLGKFGIKNP-QMTHXVAHSA-N 414.440 -0.735 5 20 HBBD CNS(=O)(=O)C1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 554415070 MXAVXSXGSLEDRO-UHFFFAOYSA-N 414.440 -0.127 5 20 HBBD COc1ccc(C(=O)NCC(=O)NCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] 608839703 VXUKVVGHNSNBBL-UHFFFAOYSA-N 402.367 -0.331 5 20 HBBD NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 749602281 HEIWQLOTWNQBHR-LBPRGKRZSA-N 406.351 -0.088 5 20 HBBD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCCn1cc([N+](=O)[O-])ccc1=O 786361355 DDFZOLYVYGAQAS-CZPYZCIJSA-N 405.363 -0.148 5 20 HBBD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792355823 PLEVTMYOGNNWAN-OQMKEHIESA-N 424.410 -0.458 5 20 HBBD O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800893303 VOKNZGZPKRIGIU-DRXBFXEBSA-N 420.426 -0.466 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840637557 NJXYQYAUANTBCR-IBGZPJMESA-N 420.422 -0.377 5 20 HBBD CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841580783 GWLVSWDHYFRBRH-SNVBAGLBSA-N 414.444 -0.537 5 20 HBBD CC(C)c1[nH]nc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] 433749726 WQDMVCOWWOVXBV-WDEREUQCSA-N 401.445 -0.331 5 20 HBBD CNc1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 462910550 LERGOMGACZELNO-UHFFFAOYSA-N 405.411 -0.220 5 20 HBBD COC(=O)c1cn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 473886893 QRPLYFJZYIBTDY-UHFFFAOYSA-N 402.367 -0.043 5 20 HBBD O=C(CCCN1C(=O)CCC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 520010067 LCBBQNUUUFJCTF-UHFFFAOYSA-N 412.424 -0.082 5 20 HBBD O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 533059694 ZJSWWPWFABAFKF-HYVNUMGLSA-N 415.468 -0.578 5 20 HBBD C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1S(C)(=O)=O 539535294 KQBOBIIZYNGSAP-NSHDSACASA-N 412.424 -0.188 5 20 HBBD NC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 728867372 NMQCFLXMSGUMJC-UHFFFAOYSA-N 413.456 -0.717 5 20 HBBD CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381092 QPVIBKAHEUXXQG-APPDUMDISA-N 423.430 -0.531 5 20 HBBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)n1ccnn1 1800268169 XECNGOXDPQPWJK-OHTBPHCPSA-N 403.399 -0.021 5 20 HBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)[nH]n1)C(O)O 1814711580 GFXOGKRCVCPSST-LLVKDONJSA-N 420.382 -0.517 5 20 HBBD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C1CC1 1830598865 FMXYZMDPMQOAIP-QGZVFWFLSA-N 407.383 -0.633 5 20 HBBD CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835386933 XQYHAGKLPTUMCM-QGZVFWFLSA-N 410.431 -0.660 5 20 HBBD O=C(c1cnco1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837792875 LLKLXBQPXQFHLX-INIZCTEOSA-N 406.355 -0.310 5 20 HBBD O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389708 XHSHEVLVBWDPMB-UHFFFAOYSA-N 401.339 -0.063 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844504833 PLAZRDDMTSUOKD-UHFFFAOYSA-N 402.367 -0.298 5 20 HBBD C[C@](O)(CO)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 480853216 AOGREXOBDTYICJ-MRXNPFEDSA-N 418.472 -0.640 5 20 HBBD Cc1cc(C(=O)NCC(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 543010172 WMVQNLRNUXSSGK-UHFFFAOYSA-N 407.427 -0.802 5 20 HBBD COCC(=O)NC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 603766956 NJZBPDQDDMANIR-UHFFFAOYSA-N 404.379 -0.056 5 20 HBBD COCCOCCS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 768231287 TVLFPLBSIQXMCG-UHFFFAOYSA-N 410.426 -0.279 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cc(CO)on1 1789377483 XQDAQOZNYFBDSC-GAFUQQFSSA-N 420.382 -0.295 5 20 HBBD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1792862820 LZIAXHVQBYWUGK-NDPMZMCLSA-N 408.411 -0.028 5 20 HBBD NCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824718508 IAPQJACSSWZWAC-VIFPVBQESA-N 406.424 -0.216 5 20 HBBD O=C(Cn1nnc(C2CC2)n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 433051336 HFFHQKOYAQMZQZ-UHFFFAOYSA-N 421.439 -0.008 5 20 HBBD CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 440492297 IZDGSKDEDWVBLI-HNNXBMFYSA-N 419.486 -0.292 5 20 HBBD COC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 465767874 GAFGFWQSKRQVSB-ZDUSSCGKSA-N 402.429 -0.070 5 20 HBBD Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 508152671 ZSVDWWYXNXJAAX-HIFRSBDPSA-N 419.481 -0.321 5 20 HBBD COCCN1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1=O 509443671 FEPDDVNKQYGCCX-UHFFFAOYSA-N 414.440 -0.132 5 20 HBBD CC[C@H](C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NCCN1CCOCC1 521927469 KCHLAYAQZQEFJT-KSSFIOAISA-N 423.470 -0.264 5 20 HBBD CNC(=O)CN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 542253799 PECWYIYYUSIPJC-UHFFFAOYSA-N 414.440 -0.130 5 20 HBBD O=C(CN1CCS(=O)(=O)CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544481362 HGNPNLLGXKFCDX-UHFFFAOYSA-N 405.454 -0.785 5 20 HBBD CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 810119464 TVNGHYYLYFFVMC-UHFFFAOYSA-N 422.441 -0.279 5 20 HBBD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1 1781253190 XECGDYQPSOZAKM-KZULUSFZSA-N 406.395 -0.122 5 20 HBBD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003459 AOTHUXHPTHMEGP-ZWNONLRRSA-N 408.459 -0.246 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1795826773 FLJROJASXIQPTP-XJFOESAGSA-N 417.422 -0.327 5 20 HBBD O=C(Cc1cc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839721354 GIEHVRJEXBFZOM-KRWDZBQOSA-N 419.398 -0.646 5 20 HBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC 440053088 QNGDEZIFSMOACW-ZDUSSCGKSA-N 421.410 -0.215 5 20 HBBD COC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 477172367 APRKDWCNDNAVCZ-MRVPVSSYSA-N 404.353 -0.251 5 20 HBBD O=C(NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc([N+](=O)[O-])c1 503118833 FDMINXYSQSKZEY-OAHLLOKOSA-N 410.452 -0.344 5 20 HBBD NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 517410298 IHVSJYVHJJTECC-NSHDSACASA-N 414.440 -0.016 5 20 HBBD COc1ccc(S(=O)(=O)NCC(=O)NCCN2CCOCC2)c([N+](=O)[O-])c1 556938422 UCZRNAXZCZJRKT-UHFFFAOYSA-N 402.429 -0.670 5 20 HBBD C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C 611627350 UPLARNWXXJTUPX-DYEKYZERSA-N 400.457 -0.215 5 20 HBBD NC(=O)CN1CCC(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 728291051 FRNXUFUHFHLBHC-UHFFFAOYSA-N 400.413 -0.406 5 20 HBBD O=C1CN(S(=O)(=O)c2cccc(C(=O)OCCn3cc([N+](=O)[O-])cn3)c2)CCN1 748110133 JLENUPRDZZNDGI-UHFFFAOYSA-N 423.407 -0.231 5 20 HBBD Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1785849027 MVFKVMRYXCRGOT-DCAQKATOSA-N 404.387 -0.647 5 20 HBBD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1)n1cnnn1 1789392739 AAHRZPPJKSDJIL-MNXVOIDGSA-N 418.414 -0.236 5 20 HBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830403158 OHXHDLCRPHTMMU-QGZVFWFLSA-N 413.358 -0.885 5 20 HBBD O=C(Cn1cccn1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1836170110 QFLRKILAQPXBNC-QGZVFWFLSA-N 419.398 -0.715 5 20 HBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836479937 RODUJHABNYCYMI-UGSOOPFHSA-N 405.411 -0.479 5 20 HBBD CCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841535672 MONBXCFGKHGTTP-ZDUSSCGKSA-N 419.438 -0.125 5 20 HBBD O=C(CSc1nc[nH]n1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000829 SRWBTKVDFXKZGM-UHFFFAOYSA-N 406.428 -0.095 5 20 HBBD CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426395298 IJOISLSZAUJVIV-UHFFFAOYSA-N 403.465 -0.030 5 20 HBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 444440799 ZYBXZNLEZANITL-UKRRQHHQSA-N 415.424 -0.260 5 20 HBBD COC(=O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 487722994 FDSUPYNEIHCRBA-CYBMUJFWSA-N 401.397 -0.336 5 20 HBBD O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N[C@@H]1CCS(=O)(=O)C1 603848544 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N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccn1 1798011070 XQTCUFIMPFQUQO-JLUCKKNBSA-N 415.410 -0.384 5 20 HBBD NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443543 MTHXVQMQHIVROT-NHEDYWLLSA-N 405.411 -0.003 5 20 HBBD C[C@H]1CN(CCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 523713333 GFXFNSNCYZAMNG-LBPRGKRZSA-N 415.472 -0.119 5 20 HBBD CC(C)(CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NS(C)(=O)=O 609461821 NQOJGPSMGQMNJS-UHFFFAOYSA-N 422.485 -0.293 5 20 HBBD CN(CC(=O)NCC1(C(N)=O)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609986834 GVODXGICOMXZGF-UHFFFAOYSA-N 414.440 -0.386 5 20 HBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](CCO)C1 611656290 OMDULNHZTJWVKE-GUTXKFCHSA-N 413.452 -0.050 5 20 HBBD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)CN1 1790858016 HVNIRBQRMSSJIJ-BJDJZHNGSA-N 406.399 -0.953 5 20 HBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)n1 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O=C(Cc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1792228302 IBQGOIHLYAFZJJ-XEGUGMAKSA-N 411.386 -0.433 5 20 HBBD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795145547 VCCWDEVHWXWPAJ-ZSBFGKGUSA-N 420.422 -0.285 5 20 HBBD Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834396200 SDQQGNFCJSPJJJ-KRWDZBQOSA-N 419.398 -0.565 5 20 HBBD NC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1838095448 RQSBMKVANJLHSZ-UHFFFAOYSA-N 423.430 -0.402 5 20 HBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)cc1[N+](=O)[O-] 26680021 KCOBKVBOSHSASG-JTQLQIEISA-N 415.428 -0.507 5 20 HBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 409540880 KJSAIGCYXLLAPW-AWEZNQCLSA-N 408.459 -0.119 5 20 HBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 460125430 XBQVSPHOCHUJCR-GXFFZTMASA-N 420.469 -0.395 5 20 HBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 469017605 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NWMGXVNZAGWULH-GFCCVEGCSA-N 414.440 -0.373 5 20 HBBD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1787409262 YQRNUYBVCXJIDQ-FMSGJZPZSA-N 422.442 -0.037 5 20 HBBD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-])N1C[C@H]2C[C@@H]2C1 1796402914 IRSVWZBOCQMZLQ-LWGJEFJTSA-N 418.454 -0.139 5 20 HBBD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 1801836833 NLUGROHDDSDBDY-IVWMJMPLSA-N 420.422 -0.057 5 20 HBBD O=C(c1cocn1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794489 UYQHNYOMUKXXRA-INIZCTEOSA-N 406.355 -0.310 5 20 HBBD COc1ccc(NC(=O)[C@H](C)N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 471036377 ZLBCMRDZRZMYFG-LBPRGKRZSA-N 415.472 -0.164 5 20 HBBD COc1ccc(C(=O)NCC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 497002038 BKQXMRFRNLPYKE-AWEZNQCLSA-N 410.427 -0.515 5 20 HBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 603890766 QOZAISIEQLWANC-SNVBAGLBSA-N 413.408 -0.259 5 20 HBBD CC(C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 725934506 CYNGCQJIRNNYPA-UHFFFAOYSA-N 415.424 -0.258 5 20 HBBD COCC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1317878543 LBFXNDKFEMEPEN-UHFFFAOYSA-N 414.440 -0.420 5 20 HBBD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1)n1cnnn1 1784597139 IRLNTYPTPFBONC-ZBEGNZNMSA-N 404.387 -0.386 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477057 FDXOQOVEMAVLTQ-QXEWZRGKSA-N 405.371 -0.346 5 20 HBBD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809667 IADLJSCTJRAEJE-ABHRYQDASA-N 422.442 -0.174 5 20 HBBD C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403324 QDRMGJRGTPVJDF-RVMXOQNASA-N 418.414 -0.551 5 20 HBBD CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403797 UQPUQSWUSYMJCX-KQXIARHKSA-N 408.415 -0.564 5 20 HBBD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796455317 OSUBTZNGYMCTIY-SGESHTKJSA-N 408.415 -0.612 5 20 HBBD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1799338860 BOOOGGUITVGRTI-DPIQGUFMSA-N 411.386 -0.054 5 20 HBBD O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475148525 CVOBDSGQIPZKHD-UHFFFAOYSA-N 416.394 -0.095 5 20 HBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 508145771 AXOQGNCLZGEENU-AAEUAGOBSA-N 405.454 -0.629 5 20 HBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 527041040 SRLADWACVFDTOZ-SNVBAGLBSA-N 407.426 -0.306 5 20 HBBD CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 550100333 WDCOVWDATYCTGE-UHFFFAOYSA-N 406.442 -0.780 5 20 HBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCCN1CCOCC1 556938360 OQMDXKGAGYFZCN-UHFFFAOYSA-N 402.429 -0.670 5 20 HBBD CN(C)S(=O)(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 567319936 XTPNXYWGONSGBV-UHFFFAOYSA-N 408.458 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HBBD CC(=O)N1CC(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 788351516 MQWFCOHVSVQQMC-UHFFFAOYSA-N 413.408 -0.001 5 20 HBBD O=C(c1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382994 IZGOIGBDHWWFQK-INIZCTEOSA-N 403.355 -0.429 5 20 HBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1783782043 SOMILWFRFXXYPT-SCLBCKFNSA-N 423.495 -0.197 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810167 LSOVRBPMYBBKDF-YDHLFZDLSA-N 415.410 -0.056 5 20 HBBD CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)[C@H]2C1 1790023775 RBPZAMQODVIQNQ-XEZPLFJOSA-N 420.422 -0.018 5 20 HBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)n1 1794592415 ZGESPHUEOAWXIR-JJLQDPRZSA-N 416.394 -0.054 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2)c1n[nH]cc1[N+](=O)[O-] 1798010106 XYDODPOPCUXRFA-GNXNZQSNSA-N 422.398 -0.637 5 20 HBBD Nc1n[nH]c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)n1 1798307367 KXESZJNPBPKYBP-ILWJIGKKSA-N 403.403 -0.097 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccc([N+](=O)[O-])cc1F 1799491128 FSMZVWOKYBLGKW-KBQPJGBKSA-N 422.413 -0.340 5 20 HBBD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)[nH]1 1831856325 JNFPOADVKRZGJY-KRWDZBQOSA-N 419.398 -0.267 5 20 HBBD O=C(c1cc(O)n[nH]1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835857288 VLEORXHHGFCCPZ-KRWDZBQOSA-N 420.382 -0.265 5 20 HBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 439193596 XOQAOUZVYSYYOK-UHFFFAOYSA-N 408.458 -0.190 5 20 HBBD CCS(=O)(=O)N(C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 487050009 UBYQDYTYPBGDJW-UHFFFAOYSA-N 408.458 -0.729 5 20 HBBD COC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2O1 532274379 HQVPMWXTXHXPLJ-CQSZACIVSA-N 403.351 -0.125 5 20 HBBD CSc1ccc(S(=O)(=O)NCC(=O)OCc2nc(=O)n(C)[nH]2)cc1[N+](=O)[O-] 765433975 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O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840607496 PGFDSIIYVXIOJF-OVSNFEJUSA-N 421.410 -0.720 5 20 HBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 438791742 NWLDETAMMDKFOT-INIZCTEOSA-N 416.504 -0.109 5 20 HBBD COc1cc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 468839427 FRYCORUCYJAXIP-JTQLQIEISA-N 421.453 -0.425 5 20 HBBD COC(=O)[C@H](CF)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 489653173 IDCPGCZPDIWRJN-NHCYSSNCSA-N 419.387 -0.654 5 20 HBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 515736308 ZDQJHHODTVCZIK-GFCCVEGCSA-N 405.454 -0.340 5 20 HBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)NC3CC3)CC2)s1 538742632 GCSAXKQQAPEYQA-UHFFFAOYSA-N 402.454 -0.013 5 20 HBBD O=[N+]([O-])c1ccc2nc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)nc(O)c2c1 553311174 XCTRCCAOCSNNTQ-UHFFFAOYSA-N 424.439 -0.057 5 20 HBBD Cc1nn(C)c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] 1318186164 JDGUUWHNDVJXMH-UHFFFAOYSA-N 402.415 -0.105 5 20 HBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1780416980 OCMZDACPUGCCHP-WMZOPIPTSA-N 423.426 -0.983 5 20 HBBD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794278706 SOWMPEGTYKYCDK-CLLJXQQHSA-N 423.499 -0.087 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1796292566 NORLVAKELOVNPE-BTTYYORXSA-N 415.410 -0.314 5 20 HBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@@H]1C=CCN1 1801356022 CXBDURDRXVKATD-XGUBFFRZSA-N 401.423 -0.077 5 20 HBBD O=C(Cn1nccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358364 RYFDDQZDONGHNR-BTTYYORXSA-N 415.410 -0.314 5 20 HBBD Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834233994 QOFCSTRTNLTQSR-QGZVFWFLSA-N 419.398 -0.565 5 20 HBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1835544874 WRRDASLRCPYRSP-LJQANCHMSA-N 406.439 -0.058 5 20 HBBD NC(=O)NCC(=O)N1CCCC12CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1847108914 KZRZHZWEIQAZIA-UHFFFAOYSA-N 401.383 -0.044 5 20 HBBD Cc1cc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] 430541768 PLNPFGXCCDDLAE-GDBMZVCRSA-N 413.452 -0.104 5 20 HBBD O=C(NC[C@@H]1COCCO1)c1cc(C(=O)NC[C@@H]2COCCO2)cc([N+](=O)[O-])c1 460974161 RNQYBPOQIXAAEN-HZPDHXFCSA-N 409.395 -0.115 5 20 HBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCn1c(=O)ccn(C)c1=O 505073170 DWZRDHOYEXGUCG-GFCCVEGCSA-N 407.431 -0.106 5 20 HBBD O=C1[C@H](N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 533379923 GJNKJMCUENDNDS-IKGGRYGDSA-N 424.479 -0.213 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](CNC(C)=O)C1 543185774 PLWXZSNRYUIQFC-LBPRGKRZSA-N 401.397 -0.093 5 20 HBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 554799948 QHXNSUKOQQEZGA-GXFFZTMASA-N 405.454 -0.235 5 20 HBBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)N1CCS(=O)(=O)CC1 731477770 YNYGRQZNIULTDJ-JTQLQIEISA-N 403.388 -0.126 5 20 HBBD CN(CC(=O)OCCN1C(=O)CNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738671814 QNBQMUGSXCHGEI-UHFFFAOYSA-N 400.369 -0.690 5 20 HBBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 744651893 QPDHVMVMXDXAOL-RISCZKNCSA-N 402.429 -0.029 5 20 HBBD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218995 RMCICLVZITWHSK-XTBFLFJDSA-N 422.442 -0.704 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787480346 RLFODTQQEMVCRI-AVGNSLFASA-N 418.414 -0.407 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789391658 SLGMYRAVUPQNFJ-GVXVVHGQSA-N 404.387 -0.797 5 20 HBBD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)no1 1837794502 VJSPMIFZKRSGJD-QGZVFWFLSA-N 420.382 -0.002 5 20 HBBD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165820 KDIYWVXHRFGCSQ-SGMGOOAPSA-N 410.387 -0.942 5 20 HBBD 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410.412 -0.206 5 20 HBBD CN1CCN(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 776578731 ILLYZWKGKZBHOV-QGZVFWFLSA-N 413.500 -0.262 5 20 HBBD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1779279339 ANZIULSDNRKVDA-APPDUMDISA-N 406.399 -0.548 5 20 HBBD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)C(=O)O 1780415464 ARWNPOMSPDESRR-SJKOYZFVSA-N 409.399 -0.571 5 20 HBBD Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1[N+](=O)[O-] 1785630959 GNBNTRYLHLKSDY-LJQANCHMSA-N 419.438 -0.056 5 20 HBBD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)cn1 1786031895 GIAWOBPIXCKGHS-RCBQFDQVSA-N 417.426 -0.182 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H]1C[C@@H]1F 1793674294 ZHIKOKQJENQHLI-QCPCCJPKSA-N 408.386 -0.296 5 20 HBBD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799484082 XPLOWOKRFIMURU-YGSHXTJESA-N 406.395 -0.362 5 20 HBBD O=C(Cc1cc[nH]n1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825205 DNYWOEZSPRJOEL-UHFFFAOYSA-N 400.395 -0.074 5 20 HBBD C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1CCO 428520268 WKKQIPDNTCPCEJ-LBPRGKRZSA-N 415.472 -0.431 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1 466271849 WHQVLLCMPDFQRJ-LBPRGKRZSA-N 412.428 -0.708 5 20 HBBD Cc1nnnn1-c1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1F 492634526 XOFZHRIRAMYEKN-UHFFFAOYSA-N 403.334 -0.031 5 20 HBBD CN1CCN(C)[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 522066565 MPMRLKMCTDBYJA-AWEZNQCLSA-N 414.488 -0.582 5 20 HBBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 545559626 OVEZPWRGOZVGFO-UHFFFAOYSA-N 414.440 -0.004 5 20 HBBD CN(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] 745615090 SYZTUIKXWWLIBY-UHFFFAOYSA-N 405.367 -0.563 5 20 HBBD C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cn1cc([N+](=O)[O-])cn1 913305040 HGSHWQUFOSOGLQ-SNVBAGLBSA-N 423.407 -0.040 5 20 HBBD O=C(CCn1ccnn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779395997 SZZXPOOGUNPDJZ-MRXNPFEDSA-N 404.387 -0.557 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1cc(O)no1 1788973771 VONAXBZQZFYJBB-JKOKRWQUSA-N 420.382 -0.222 5 20 HBBD CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 1794276976 NJNRBUQHRFXMHZ-GFQSEFKGSA-N 408.415 -0.508 5 20 HBBD O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796330067 ZTFMMKCDPPSEIP-DPIQGUFMSA-N 403.399 -0.653 5 20 HBBD CN(C)C(=O)Cn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 525378573 CAGRNMYWKBWUHM-UHFFFAOYSA-N 415.410 -0.127 5 20 HBBD C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655735 DLDINNCJFLPGLJ-UHXUPSOCSA-N 401.441 -0.148 5 20 HBBD Cn1[nH]c(Br)c2c(=NCCNC(=O)Cn3cc([N+](=O)[O-])cn3)ncnc1-2 729459574 PUCCKWLUGURHGU-UHFFFAOYSA-N 424.219 -0.168 5 20 HBBD CN(C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1 808044532 YHOPYNIKMXEHAV-JTQLQIEISA-N 414.444 -0.523 5 20 HBBD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)n1 1787476638 BXTQMRWTMKXRAI-GVXVVHGQSA-N 403.399 -0.042 5 20 HBBD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794004021 ZMIGBBIQVMJXMZ-QHBPRCKVSA-N 404.387 -0.879 5 20 HBBD Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)n1 1795817018 ZXHHATVVXSAHQY-DDFAGTSDSA-N 405.371 -0.545 5 20 HBBD NC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)C1 1810859194 QCTOVLZQULISIU-AWEZNQCLSA-N 420.470 -0.726 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839768636 SXZDUVAUWVDEEI-GRDNDAEWSA-N 411.390 -0.394 5 20 HBBD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)O)CCO3)ncc1[N+](=O)[O-] 1840023656 AUNODEGPYCPFSK-UGSOOPFHSA-N 408.411 -0.251 5 20 HBBD Cn1cnc2c1c(=O)n(CC(=O)NCCNc1ccccc1[N+](=O)[O-])c(=O)n2C 15093578 VWDLRHDLGFLPBN-UHFFFAOYSA-N 401.383 -0.430 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 30537482 HPZGFAFVYMGKBP-UHFFFAOYSA-N 421.501 -0.508 5 20 HBBD C[C@H](O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 498794950 ABUXSLCPOOWVEY-LBPRGKRZSA-N 414.440 -0.733 5 20 HBBD CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 517982137 DHJOFSFZGZJEBV-JTQLQIEISA-N 410.412 -0.157 5 20 HBBD CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 518423743 RZRYYXDHLXCANM-LLVKDONJSA-N 400.413 -0.381 5 20 HBBD Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 532296581 HQPCWPGEWBIXEU-UHFFFAOYSA-N 409.428 -0.650 5 20 HBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 609153384 CGHQPCXPMYKLPV-SMDDNHRTSA-N 405.411 -0.434 5 20 HBBD O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 609946395 SCRWFTUSZACXMV-UHFFFAOYSA-N 407.339 -0.637 5 20 HBBD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 772056337 GSCDEEQGMLHKMI-UHFFFAOYSA-N 409.380 -0.278 5 20 HBBD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1794879308 ZBAZUCSUPNQXQR-FVCICTRLSA-N 417.426 -0.089 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1cc(O)nc(O)n1 1796355712 UUTSPZCXVMYWMN-ICCCGROCSA-N 418.366 -0.359 5 20 HBBD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c([N+](=O)[O-])c1 1799401801 FZDQTCSXCILRSJ-DRXBFXEBSA-N 409.395 -0.954 5 20 HBBD C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835531424 PHLNVWVZLPHHSA-DJJJIMSYSA-N 422.438 -0.035 5 20 HBBD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847740608 CEVCSMFFWZWUIK-RDBSUJKOSA-N 419.438 -0.127 5 20 HBBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 53328358 NEZGLNKVCHTHFK-JTQLQIEISA-N 402.429 -0.006 5 20 HBBD Cc1sc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 467398586 KEEJNGYLEMIVHV-VIFPVBQESA-N 411.483 -0.111 5 20 HBBD C[C@](O)(Cn1ccccc1=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 468288003 LMYBHLRPMHBMPD-KRWDZBQOSA-N 424.435 -0.398 5 20 HBBD O=C(O)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 486387090 IDYWHBPYPBIIOF-GFCCVEGCSA-N 401.397 -0.035 5 20 HBBD COC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 503343857 NAJZBPWIOVPYDP-CYBMUJFWSA-N 416.412 -0.544 5 20 HBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 510148930 MROSGBMLSDXLSX-SNVBAGLBSA-N 410.408 -0.269 5 20 HBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 541281710 PUNKRRWBOUXSNL-IJEWVQPXSA-N 415.468 -0.578 5 20 HBBD CCOC(=O)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 736126992 MFQQDQFNVQZLNL-UHFFFAOYSA-N 406.395 -0.051 5 20 HBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045320 MQVDSAWXOONENV-CKFHNAJUSA-N 420.422 -0.533 5 20 HBBD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790650730 CKQYFWUNMIJTFP-YDHLFZDLSA-N 408.411 -0.617 5 20 HBBD NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 1792284956 JCHXDZAOVWSIHJ-XEGUGMAKSA-N 423.401 -0.005 5 20 HBBD Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)n1 1795809940 UKMUDMJWHFSXGU-GNXNZQSNSA-N 403.399 -0.503 5 20 HBBD CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403795 UQPUQSWUSYMJCX-HNCHTBHHSA-N 408.415 -0.564 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)[C@@H](O)N1CCOCC1 1797800425 CHGQYAOFIIHWIU-ABXQLRGKSA-N 424.410 -0.958 5 20 HBBD O=C(CN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1829871586 ASIQHEHCXQDMDA-SFHVURJKSA-N 422.442 -0.516 5 20 HBBD N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1836196569 XQRLWLZOYSUFCT-UHFFFAOYSA-N 420.474 -0.409 5 20 HBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)ncc1[N+](=O)[O-] 1842945207 OKYYOQHJIKZWFM-GFCCVEGCSA-N 404.427 -0.292 5 20 HBBD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847784520 IVEOEIJXTVEVEB-DCAQKATOSA-N 414.444 -0.539 5 20 HBBD CS(=O)(=O)N1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 139230868 PPGIOJPCPFZXKR-NSHDSACASA-N 412.424 -0.140 5 20 HBBD CCN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)CO 513335791 SEKTWNIZLIKUPC-OBJOEFQTSA-N 401.441 -0.052 5 20 HBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 513890408 MMTDHRWEYUFTMP-JTQLQIEISA-N 406.442 -0.641 5 20 HBBD COc1ccc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1[N+](=O)[O-] 539579430 OEYDNSBOYKSWHV-NSHDSACASA-N 414.440 -0.175 5 20 HBBD COCCN1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 577965964 XKOFAEFTWYHROC-UHFFFAOYSA-N 415.428 -0.681 5 20 HBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CN(C)C)CC1 748271307 FVVHVRNJEZXEOS-UHFFFAOYSA-N 415.472 -0.013 5 20 HBBD COCCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCNC(=O)C2)cc1OC 806185328 VDPNHVYDMLLQNB-UHFFFAOYSA-N 411.367 -0.256 5 20 HBBD Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778058995 OLKSDDJQMGRXJQ-PIGZYNQJSA-N 418.414 -0.112 5 20 HBBD CN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1796403695 OICKUIFAXAJSFH-BTTYYORXSA-N 406.443 -0.137 5 20 HBBD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800285192 XXLTXSSNPGMXHM-DRXBFXEBSA-N 406.395 -0.675 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832116379 SXZDUVAUWVDEEI-JKIFEVAISA-N 411.390 -0.394 5 20 HBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 485904556 GJEVIGXJVMVMBN-ZDUSSCGKSA-N 403.461 -0.001 5 20 HBBD COC(=O)COCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 516592686 IIMKYPLUQFDHEZ-UHFFFAOYSA-N 415.424 -0.074 5 20 HBBD CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 538966322 CDBNDTKUDCWYBD-UHFFFAOYSA-N 411.484 -0.325 5 20 HBBD COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1=O 543014134 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COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 568968743 RUNQVVBPGGPDBL-HNNXBMFYSA-N 420.470 -0.135 5 20 HBBD CS(=O)(=O)NC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 589293712 BLMYMWAZYZHPDF-UHFFFAOYSA-N 412.424 -0.140 5 20 HBBD CCOC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611635178 VNYRYLCDUSBQIA-JQWIXIFHSA-N 401.397 -0.602 5 20 HBBD CN1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611643463 PEJPDOMBWHDPNL-YDHLFZDLSA-N 412.468 -0.071 5 20 HBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCN(S(C)(=O)=O)CC1 615699452 NYHMWDCHUYERAH-UHFFFAOYSA-N 406.486 -0.013 5 20 HBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1ccc[n+]([O-])c1 1785491107 JGHRTQSXOCCSLC-IHRRRGAJSA-N 416.394 -0.142 5 20 HBBD COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1798012321 QRZBBRWIOZHXQE-PEGIJTEDSA-N 407.383 -0.526 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2)c1ccc([N+](=O)[O-])[nH]1 1798744157 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CNc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] 531895046 LGWODZKSGAXWTL-JTQLQIEISA-N 401.445 -0.150 5 20 HBBD C[C@@H](CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)S(N)(=O)=O 543804658 URORFAVKZBKFCK-NSHDSACASA-N 414.440 -0.242 5 20 HBBD CCOC(=O)C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 559272197 LQWFWLYZOCQWDH-CYBMUJFWSA-N 415.424 -0.258 5 20 HBBD COc1cc(CCNC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC 559531910 FBSGNZVWQPQVFN-NSHDSACASA-N 408.411 -0.040 5 20 HBBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 560949136 WBBXMQHYEWLACD-UHFFFAOYSA-N 419.438 -0.155 5 20 HBBD Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CC2 561126399 AJWYJSYNTUEGRQ-LBPRGKRZSA-N 402.415 -0.014 5 20 HBBD C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CN(C)CCO1 589139043 MBXPJBVNVMZBSR-HIFRSBDPSA-N 406.443 -0.526 5 20 HBBD CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 591424616 MEHIHTZGPNPEMV-UHFFFAOYSA-N 401.445 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409.424 -0.105 5 20 HBBD COC[C@@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 801674977 DRWVZKYLSZDYOP-ZDUSSCGKSA-N 418.472 -0.376 5 20 HBBD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1)n1cncn1 1784473496 BSHJKIUEKFZYQP-BDJLRTHQSA-N 404.387 -0.386 5 20 HBBD O=C(Cn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1787085125 BXNRCNHXTNTDKS-SRVKXCTJSA-N 404.387 -0.797 5 20 HBBD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)on1 1793888713 PPWPBHAXVACNQB-IVWMJMPLSA-N 418.410 -0.080 5 20 HBBD CCS(=O)(=O)NCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 51462276 RSDOIKNDIVWMLS-UHFFFAOYSA-N 400.413 -0.234 5 20 HBBD O=C(NC[C@@H](CO)C1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 427868556 DMOWVAZMIZHYAF-YDHLFZDLSA-N 413.452 -0.147 5 20 HBBD COC(=O)[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccn(C)n1 471239627 VYWPMUNMHYTHPO-CQSZACIVSA-N 401.335 -0.045 5 20 HBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 490072138 NFGVPWUTKZYBGP-CMPLNLGQSA-N 419.394 -0.967 5 20 HBBD CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 750763810 PTQZXWWKDYGTHH-SNVBAGLBSA-N 406.442 -0.144 5 20 HBBD O=C(CN1CCOC1=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378248 INNCCSIELHOVSZ-INIZCTEOSA-N 408.371 -0.786 5 20 HBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1782785753 RCXCBACPSGPUQY-SVGDTCPJSA-N 420.422 -0.643 5 20 HBBD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1)C(=O)O 1783359598 AIJDTUFUWYQDJT-MNXVOIDGSA-N 424.410 -0.156 5 20 HBBD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1786799013 IESLHZZPWQNLSO-MNXVOIDGSA-N 423.426 -0.626 5 20 HBBD N=C(N)NCC(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1807056863 PRGZCTOANLTCJD-RISCZKNCSA-N 415.414 -0.484 5 20 HBBD CC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835453441 WYTOUQDBVCNAOE-MRXNPFEDSA-N 417.369 -0.097 5 20 HBBD CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835908721 GALSKRZFERFYNF-SJKOYZFVSA-N 410.431 -0.614 5 20 HBBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 1848165526 SFUQPDWOXTWYHV-PVAVHDDUSA-N 419.486 -0.371 5 20 HBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)NCCN1CCOCC1 469973148 NQWWCLKBMRUHBE-CYBMUJFWSA-N 411.463 -0.608 5 20 HBBD Cc1c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 498776611 WGGGOZGODLYJLL-SNVBAGLBSA-N 400.413 -0.784 5 20 HBBD COC(=O)c1cn(C2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)nn1 500554265 XXTCVZNBPGSKJN-UHFFFAOYSA-N 416.350 -0.218 5 20 HBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 542257654 TUBTZIWWYQHNFN-SECBINFHSA-N 407.426 -0.306 5 20 HBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 544126088 YRIPMJWYMZKLFA-UHFFFAOYSA-N 402.367 -0.333 5 20 HBBD Cc1c(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)cccc1[N+](=O)[O-] 577910409 IBDFRLBTESKLGH-UHFFFAOYSA-N 414.422 -0.038 5 20 HBBD Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1C 590451906 IMRZDVOFFNVTOH-PWSUYJOCSA-N 410.412 -0.206 5 20 HBBD CN(CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609987895 OFPTVXACZQYZPW-ZDUSSCGKSA-N 410.408 -0.379 5 20 HBBD O=C1CC(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 726817721 BOZFLZALIQMASQ-UHFFFAOYSA-N 404.379 -0.161 5 20 HBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(CC(N)=O)CC1 757842069 LTZWFEQSMLQFFL-UHFFFAOYSA-N 401.445 -0.226 5 20 HBBD COCc1nn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)o1 759723560 IUMMEORVJVAQEU-UHFFFAOYSA-N 413.412 -0.145 5 20 HBBD CN(C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 1319635808 ONTLNECCAJTVJY-HZPDHXFCSA-N 412.468 -0.667 5 20 HBBD Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1780103761 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CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 502845837 ONQNWHRPBQXMIF-LLVKDONJSA-N 424.439 -0.373 5 20 HBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CS(=O)(=O)CCO1 509682560 PAUREKDNDHYEBU-LBPRGKRZSA-N 421.453 -0.807 5 20 HBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 519556309 LFUBYUZLQSEXJF-LBPRGKRZSA-N 401.445 -0.466 5 20 HBBD Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ncc1[N+](=O)[O-] 747226015 LDQYYCCRMWMUMJ-LBPRGKRZSA-N 404.470 -0.063 5 20 HBBD CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1784772324 ZCMPVQIQUUJTLY-SFHVURJKSA-N 408.459 -0.039 5 20 HBBD O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 1794279406 JNGMPUFGFVMWJE-YIYPIFLZSA-N 404.427 -0.044 5 20 HBBD O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795450169 XQLQJEREAJKTSQ-DPIQGUFMSA-N 405.411 -0.252 5 20 HBBD NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798686974 GYSYGGIALAABQP-ILWJIGKKSA-N 414.382 -0.228 5 20 HBBD NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1814226933 XOVDZLMKDUCOQS-XHDPSFHLSA-N 416.398 -0.299 5 20 HBBD CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)C1 1829489771 JPXZDWZDSITNRZ-SFHVURJKSA-N 408.411 -0.181 5 20 HBBD O=C(c1cc(O)no1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837797081 QGIVDTPLUGZBLK-INIZCTEOSA-N 422.354 -0.605 5 20 HBBD C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 533130276 BJIVYCILOCKPMJ-JTQLQIEISA-N 408.458 -0.395 5 20 HBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H](O)CN1CCOCC1 751234840 XFWSPUCVDBGPMO-AWEZNQCLSA-N 418.472 -0.094 5 20 HBBD COC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 778043246 ZYHZDIARVLCIDS-UHFFFAOYSA-N 415.428 -0.127 5 20 HBBD O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 787127474 DCMPDSQTUHVRLE-UHFFFAOYSA-N 416.460 -0.200 5 20 HBBD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cn1 1794551600 ZPGABNJDZMLBLT-XOIINTDNSA-N 415.410 -0.207 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1n[nH]cc1[N+](=O)[O-] 1798010278 GKMDJIBIXMWREY-AKZRSSKFSA-N 420.342 -0.534 5 20 HBBD CC(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834738223 GRBQKPWHNWKTNI-LJQANCHMSA-N 422.438 -0.131 5 20 HBBD CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835388090 KGBRNHTZTINSPV-GOSISDBHSA-N 409.443 -0.055 5 20 HBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 56056948 PENVZBQCWCRFMD-SECBINFHSA-N 409.417 -0.342 5 20 HBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 430751218 TZOJCYLDTKYZGO-DZGCQCFKSA-N 423.451 -0.016 5 20 HBBD Cc1nc(N2CCN(C[C@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)c1[N+](=O)[O-] 489936082 LBXSXDZGGUAFKN-GJZGRUSLSA-N 423.518 -0.301 5 20 HBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 558951834 SCMFYHZLCCEKRZ-VHSXEESVSA-N 420.378 -0.237 5 20 HBBD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])cnc1O 608839487 LDPMRJKQHREZMY-UHFFFAOYSA-N 401.383 -0.046 5 20 HBBD O=C1NC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)O1 1781935764 ZYGUTFUOSDYVDP-KBXCAEBGSA-N 420.378 -0.148 5 20 HBBD COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784988 BEMVNMQHCNIENM-SFHVURJKSA-N 424.410 -0.795 5 20 HBBD O=C(Cn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1787088285 CQNHBVNNKCONHZ-OBJOEFQTSA-N 403.399 -0.192 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1794000500 OMDVETYDYMAXJM-DPIQGUFMSA-N 417.378 -0.352 5 20 HBBD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796851733 RQYPBVOVPCENTM-YVECIDJPSA-N 408.415 -0.279 5 20 HBBD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835595714 WMUYCPIJYAKKRT-JCGVRSQUSA-N 424.458 -0.239 5 20 HBBD O=C(O)c1cc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)ncn1 1844411213 NURKBMNSTBNSNE-UHFFFAOYSA-N 401.339 -0.063 5 20 HBBD O=C1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 492729568 VAVDZBJAYYZZOC-STQMWFEESA-N 410.408 -0.331 5 20 HBBD C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609748205 VKRBAAYLSSWPRZ-LLVKDONJSA-N 422.485 -0.052 5 20 HBBD CCC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655752 FILZNWYQXYQVSJ-BZPMIXESSA-N 401.441 -0.004 5 20 HBBD O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 790621934 UTCPQDIDJADSLX-PELKAZGASA-N 401.353 -0.240 5 20 HBBD CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1781366478 CPVJRICIBQKVGB-GTNSWQLSSA-N 406.399 -0.618 5 20 HBBD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781539421 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O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2cn[nH]c2)C1 483149188 NFOGCRLGPVQZML-NSHDSACASA-N 422.423 -0.235 5 20 HBBD CC(=O)N1CCN(c2ccc(C(=O)NCCN3C(=O)CNC3=O)cc2[N+](=O)[O-])CC1 499923260 RDZDWHFXJLDBCO-UHFFFAOYSA-N 418.410 -0.455 5 20 HBBD O=C1NC(=O)C2(CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)N1 760888807 LXYDKBNEVJEMMA-UHFFFAOYSA-N 416.438 -0.083 5 20 HBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1csc([N+](=O)[O-])c1)C2 786132149 LXGOYCVYRMLQOA-UHFFFAOYSA-N 416.441 -0.693 5 20 HBBD Cn1cc(N2CC[C@H](OC(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2=O)cn1 801438206 AIKOZDQDBDGISV-LBPRGKRZSA-N 409.380 -0.062 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C1CCC(O)CC1 1801132085 MYPHSPINVCMBPQ-QFQYRPHMSA-N 421.454 -0.068 5 20 HBBD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2)c1n[nH]cc1[N+](=O)[O-] 1820304136 LVFVGTIUESONIZ-WEDXCCLWSA-N 421.439 -0.277 5 20 HBBD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)N1 1829484591 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N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010598 BVZYBDUOTZLVPT-BZBKMWRSSA-N 411.444 -0.462 5 20 HBBD O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845473893 RTKAUOCEGMFSMJ-UHFFFAOYSA-N 422.438 -0.596 5 20 HBBD CNC(=O)C1CN(C(=O)c2cc(C(=O)N3CC(C(=O)NC)C3)cc([N+](=O)[O-])c2)C1 468701088 KTLNAZYUGMTGMW-UHFFFAOYSA-N 403.395 -0.769 5 20 HBBD COC(=O)c1cnc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 477744522 UMJDSBRAVKNKKH-STQMWFEESA-N 400.413 -0.944 5 20 HBBD CC(C)(O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 482025059 IFIMZACZIOJGGZ-YPMHNXCESA-N 401.441 -0.004 5 20 HBBD C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])S(N)(=O)=O 502785160 LFANCUWEFQEBGY-NSHDSACASA-N 421.501 -0.380 5 20 HBBD CN(CC(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 540678830 LWNNQVMICOQWCA-UHFFFAOYSA-N 400.413 -0.810 5 20 HBBD CN1CCN(S(=O)(=O)c2ccc(NCCc3nc(N)n[nH]3)c([N+](=O)[O-])c2)CC1 590567975 RUUIRDCISWAHDL-UHFFFAOYSA-N 410.460 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CN1CCN(S(=O)(=O)c2ccc(N(C)CCOCCO)c([N+](=O)[O-])c2)CC1 409538805 XKWUSPCVSSTALE-UHFFFAOYSA-N 402.473 -0.024 5 20 HBBD Cc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 468059797 MJZJVNSDBUSBCJ-UHFFFAOYSA-N 420.469 -0.989 5 20 HBBD Cc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 769429897 APDKSLMUKRQOFM-SECBINFHSA-N 402.816 -0.112 5 20 HBBD O=C1NC(=O)N2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]12 778953514 NDSOZKNZSQXZHK-OAHLLOKOSA-N 402.411 -0.521 5 20 HBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 797282526 HBBHZGNAFCLIBX-RKDXNWHRSA-N 403.369 -0.200 5 20 HBBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1319634837 HPCVORHGHQROBT-HUUCEWRRSA-N 412.468 -0.383 5 20 HBBD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO3)=NN1 1778940308 FJPXYXGZAUTCPH-GOSISDBHSA-N 417.378 -0.380 5 20 HBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cc[n+]([O-])cc1 1798359328 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420.426 -0.466 5 20 HBBD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)n1cncn1 1791611401 UGBPEZPMWYIIFN-MNXVOIDGSA-N 418.414 -0.236 5 20 HBBD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1801205033 DXUGLYXDPWERIN-DRXBFXEBSA-N 422.394 -0.140 5 20 HBBD O=C(NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1)C(O)O 1802917177 XAEUKSKQKCYVFB-DOMZBBRYSA-N 404.383 -0.797 5 20 HBBD NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1 1811612865 WEUWOFHZFYZMKD-WWGRRREGSA-N 401.427 -0.077 5 20 HBBD CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799664 BGLQCSMEZBCXEO-KRWDZBQOSA-N 409.399 -0.773 5 20 HBBD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1834713195 FVBWWGREHVJXAX-GOSISDBHSA-N 406.395 -0.043 5 20 HBBD CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837262448 HXDWANCXZQIMIV-FWVUHSSSSA-N 409.399 -0.062 5 20 HBBD 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CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)CC1 436754364 YJCZHVCVWDEGEZ-UHFFFAOYSA-N 413.456 -0.450 5 20 HBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 578839388 ABOYSFONSIQADW-LBPRGKRZSA-N 403.413 -0.245 5 20 HBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 609841965 FRFGGYMXXINWAE-ZDUSSCGKSA-N 421.458 -0.223 5 20 HBBD Cn1c(=O)c2c(ncn2CCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)n(C)c1=O 761373023 WBBBBUDHCOPBRU-UHFFFAOYSA-N 418.366 -0.863 5 20 HBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781939921 IYQKTEGFXVEFMV-IAQYHMDHSA-N 424.435 -0.151 5 20 HBBD CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 806057143 WDUWOMAWCJVDSJ-QGZVFWFLSA-N 404.471 -0.395 5 20 HBBD CC(C)[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCN(c2ncccn2)CC1 919520337 NQEOLBUAKZDREH-AWEZNQCLSA-N 418.414 -0.107 5 20 HBBD O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)CCO3)C2)=NN1 1778935621 JJWYXMHYMHXSRP-FVIAUOKHSA-N 417.378 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CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786851229 RZLAVFASCJURBT-BPUTZDHNSA-N 408.459 -0.229 5 20 HBBD CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404667 YPAQGEAUFPAKMK-CRWXNKLISA-N 422.442 -0.174 5 20 HBBD O=C1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4n[nH]cc4[N+](=O)[O-])sc3C2)=NN1 1820298874 BEQONFKISPYNPC-ZCFIWIBFSA-N 418.395 -0.124 5 20 HBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1831596780 RKGDQXCGXCODPQ-KPZWWZAWSA-N 424.410 -0.231 5 20 HBBD CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834864808 QKZQVFOHVJFMQZ-GOSISDBHSA-N 423.426 -0.383 5 20 HBBD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835596203 RIOBIXIAZZEBAV-XAYKYTGQSA-N 424.458 -0.239 5 20 HBBD O=C(CC1(O)CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799748 AQYSBJHPYUTJOL-GOSISDBHSA-N 423.426 -0.307 5 20 HBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 433423354 OOXDILNMKSVCAE-JTQLQIEISA-N 405.454 -0.262 5 20 HBBD C[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 467937627 JLESTXXDBKRIKB-NSHDSACASA-N 420.469 -0.635 5 20 HBBD O=C(C[C@@H]1CCS(=O)(=O)C1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 519094404 KMPMQSRNYMOGRK-NSHDSACASA-N 405.454 -0.186 5 20 HBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCS(=O)(=O)C1 604467526 IOMOSZBENMEKBU-NSHDSACASA-N 420.469 -0.393 5 20 HBBD NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1785623604 CVKJXFWAHQAXOK-XKKXFUJGSA-N 407.383 -0.301 5 20 HBBD Cc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])n1 1796402573 YZXIDDUCVJHMRI-PTEHBNRSSA-N 401.383 -0.067 5 20 HBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1832795900 HVHHGJUTPSIDGX-KRWDZBQOSA-N 420.382 -0.451 5 20 HBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)O)CCO3)n1 1840024057 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