smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 1599584 GMCLWIWXUAFGIP-UHFFFAOYSA-N 407.426 4.584 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109793 MFQADLNELKOIOB-RMKNXTFCSA-N 405.376 4.866 5 40 HJBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C 8415656 VUDGZBNJYUJEEV-UHFFFAOYSA-N 421.497 4.693 5 40 HJBB Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1[N+](=O)[O-] 12798245 RGOGDKHOQYZXKM-UHFFFAOYSA-N 405.458 4.531 5 40 HJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N1CCCCC1 44086063 WBTOYLWSUZFWBR-UHFFFAOYSA-N 422.510 4.552 5 40 HJBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCC1 408976417 RCCYCNJHTPSZQW-UHFFFAOYSA-N 410.506 4.672 5 40 HJBB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 957922 MEDVFEGEZQRUSX-UHFFFAOYSA-N 403.847 4.698 5 40 HJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3cccs3)cnc21 5030678 WCNDNGLWZIVJAS-UHFFFAOYSA-N 417.538 4.985 5 40 HJBB Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1 5303088 NFZYNSOKFUEMLM-UHFFFAOYSA-N 413.433 4.674 5 40 HJBB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13857184 QXZDBLYXZWJRIJ-GIDUJCDVSA-N 403.390 4.826 5 40 HJBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)o2)c([N+](=O)[O-])c1 20140581 VEOANPVGZLGIMA-UHFFFAOYSA-N 400.774 4.767 5 40 HJBB COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1453673 BFLMADXKLMUQFI-UHFFFAOYSA-N 400.774 4.547 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 7363390 HPNPBRDSHWTRML-UHFFFAOYSA-N 414.508 4.996 5 40 HJBB O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 36390484 IJXUQKWOMZQODN-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)c(OC)c1 1016379 HPXCRAQSFQKFNS-HXUWFJFHSA-N 418.449 4.971 5 40 HJBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)CCCC2 12542713 OLIFBXTUIYPYHF-GOSISDBHSA-N 410.517 4.911 5 40 HJBB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 12997159 IOWLPTCPTZESAJ-AWEZNQCLSA-N 400.504 4.804 5 40 HJBB C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 40155786 YRINFYMKAQIJHD-GFCCVEGCSA-N 414.405 4.528 5 40 HJBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 58050660 IXCPJPUYAUFZJL-UHFFFAOYSA-N 421.497 4.993 5 40 HJBB Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1[N+](=O)[O-] 8902731 BHBVFWKPMPBQKD-UHFFFAOYSA-N 422.422 4.611 5 40 HJBB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 25250143 JPHHTCALPHMFIJ-QGZVFWFLSA-N 424.526 4.537 5 40 HJBB Cc1cccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)c1 95470770 JFLPDFTWLHWYKG-UHFFFAOYSA-N 411.211 4.620 5 40 HJBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1cccc(Cl)c1 1379001 ZKZBFAPVELTBPB-UHFFFAOYSA-N 416.846 4.518 5 40 HJBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)N1CCCCCC1 35313202 OTFWFVOHVQDVNI-UHFFFAOYSA-N 408.552 4.887 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222892635 XVDZCKWRMIQGHU-WOJBJXKFSA-N 408.483 4.632 5 40 HJBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1F 16060298 KJSWWDYKGGGCNO-UHFFFAOYSA-N 405.735 4.847 5 40 HJBB CNc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1[N+](=O)[O-] 33039491 VWRHBRBXNRSQKM-CPNJWEJPSA-N 413.433 4.673 5 40 HJBB Cc1c(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-] 39755384 RCTYZENLWOUPCU-UHFFFAOYSA-N 405.857 4.546 5 40 HJBB O=[N+]([O-])c1ccc(CCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 65487535 RBWZPMFIOIUDSH-UHFFFAOYSA-N 402.785 4.645 5 40 HJBB CC(C)[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 40157401 HFDSQOXIVFQKTB-FQEVSTJZSA-N 404.426 4.858 5 40 HJBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc12)c1ccccn1 27662310 XHFFBUQTPJEVBO-UHFFFAOYSA-N 413.433 4.755 5 40 HJBB Cc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C 223426227 XIHWOCSWLHDDPI-JJIBRWJFSA-N 416.477 4.947 5 40 HJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] 408998983 JRYSZGDTLOMUKZ-NMNUPHIUSA-N 416.433 4.773 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 4993999 YBZQGTPYOJOHRR-UHFFFAOYSA-N 408.439 4.509 5 40 HJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccccc4)=NN23)c1 13757578 GEQLPMYGOSCNJN-IRLDBZIGSA-N 416.393 4.745 5 40 HJBB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 65322273 RFEWEAULYYCARH-UHFFFAOYSA-N 421.501 4.764 5 40 HJBB CCC1(CC)O[C@@H](c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])Nc2ccccc21 100110303 NUBQYGLCQYFNJN-KRWDZBQOSA-N 402.363 4.567 5 40 HJBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCOc1ccc([N+](=O)[O-])cc1 1754088 NQQCDNPVZULKOY-UHFFFAOYSA-N 404.728 4.895 5 40 HJBB Cc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 5556941 RFSOGQXWWNLHRC-UHFFFAOYSA-N 400.394 4.873 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](CC)C2 6119668 WCAYRMGHUMXGQM-GFCCVEGCSA-N 402.472 4.600 5 40 HJBB Cc1cccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1[N+](=O)[O-] 12627377 ZTXDTAODRCLFNT-FQEVSTJZSA-N 414.465 4.504 5 40 HJBB C[C@H](c1ccc2c(c1)Cc1ccccc1-2)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 30835695 HRFLHXWXJJMLHF-OAHLLOKOSA-N 408.479 4.548 5 40 HJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 40079665 GGOVEOLYWVHQIX-BJRSVTDJSA-N 417.465 4.802 5 40 HJBB Cc1cc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1[N+](=O)[O-] 408713838 AGQMXPRIMRUIDG-UHFFFAOYSA-N 408.458 4.523 5 40 HJBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)N1CCCC1 1101638 GZMMEXSMJXQFSN-KGENOOAVSA-N 416.502 4.652 5 40 HJBB Cc1cn2c(=O)c3ccccc3nc2nc1Nc1ccccc1C(=O)Nc1ccccc1 9335057 KHSVWNCAHCZMGV-UHFFFAOYSA-N 421.460 4.547 5 40 HJBB O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1 13142644 GQQISVVLMAVEAG-UHFFFAOYSA-N 417.391 4.783 5 40 HJBB O=C(COC(=O)c1ccc(CSCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 21085518 ZMNJWOMTIKFUBZ-UHFFFAOYSA-N 411.435 4.661 5 40 HJBB COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 103768134 JOUKTIYGQYATRY-FQEVSTJZSA-N 401.422 4.687 5 40 HJBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOC(=O)Cc1ccccc1 5243865 FBDDRUJCVWYODT-UHFFFAOYSA-N 411.461 4.532 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc21 219824020 WPGRNDSMTISNAA-UHFFFAOYSA-N 419.437 4.749 5 40 HJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408610570 QFVMDZGRUYCBHF-UHFFFAOYSA-N 409.398 4.703 5 40 HJBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(CN2CCCC2=O)cc1 6821123 WTUKQXJMKQPZQS-UHFFFAOYSA-N 410.473 4.867 5 40 HJBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4[N+](=O)[O-])cc3)oc2cc1C 10120362 IITMABKAYOLNPU-UHFFFAOYSA-N 401.422 4.950 5 40 HJBB Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 89558950 OFNOBHXLFATSHK-ZDUSSCGKSA-N 401.492 4.726 5 40 HJBB CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 2729582 WZOSCDZZFFKSBS-UHFFFAOYSA-N 402.472 4.744 5 40 HJBB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 6126301 VNZNEKKGKAMONR-UHFFFAOYSA-N 400.387 4.501 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 20141074 VBBPGNPTLFKLDL-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21)c1ccccc1 408618543 DHUKYMZUORQRNH-NBJYBMASSA-N 420.852 4.643 5 40 HJBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@](F)(c2ccccc2F)C1 549525372 VZAQZNWBZRTUQB-XMMPIXPASA-N 404.416 4.531 5 40 HJBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 3390037 XLSSLZZUMMAKIC-NSHDSACASA-N 415.799 4.726 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 4558414 JACBGCUJRPMQTB-LLVKDONJSA-N 402.472 4.519 5 40 HJBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1Cl 10985944 CNEWKONROPVMHB-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)ccc1[N+](=O)[O-] 999890 PKUUECNZECXSEO-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB O=[N+]([O-])c1cccc(-c2cc(-c3ccc(F)cc3)n3nc(C(F)(F)F)nc3n2)c1 20635852 KUENQHCQOZUNEP-UHFFFAOYSA-N 403.295 4.524 5 40 HJBB Cc1cccc2cc3c(NC(=O)c4ccc([N+](=O)[O-])cc4)nn(CC(C)C)c3nc12 5177477 ZHFFJKSWLNKFRD-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229949 SFTMYAWKYYTVPG-HXUWFJFHSA-N 412.829 4.591 5 40 HJBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100830175 DMXOQQWVRNSNDX-CHHVJCJISA-N 405.322 4.686 5 40 HJBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(O)c1 5376180 VSQXIIDWBZNMAX-WQRHYEAKSA-N 408.391 4.801 5 40 HJBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 20141146 UPAINMTVZQWBTJ-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(C)(C)C 5480847 LQYVVBNBZGUZJZ-IBGZPJMESA-N 400.866 4.770 5 40 HJBB Cc1occc1-c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1C 7236491 PAURCNOVCRKCCR-UHFFFAOYSA-N 403.463 4.935 5 40 HJBB CCCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc(C)c(C(=O)OCC)s1 11232725 FKDRAECNCOZXHV-UHFFFAOYSA-N 419.503 4.682 5 40 HJBB COc1ccccc1O[C@H](C)c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 32117684 ZGRFMNNXKLNRGH-CYBMUJFWSA-N 405.483 4.653 5 40 HJBB Cc1cccc(OCCn2c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc32)c1 4547304 QHJPKCPDJLJAJI-UHFFFAOYSA-N 416.437 4.584 5 40 HJBB Cc1cc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)ccc1[N+](=O)[O-] 4958771 AXJQNUCDCAGTPK-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 4487815 MVAKTVKQIALHDL-UHFFFAOYSA-N 405.366 4.747 5 40 HJBB Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 6586811 JKSYIQOGWHWWSN-SNVBAGLBSA-N 406.514 4.603 5 40 HJBB CCOc1cc([N+](=O)[O-])c(C(=O)OCc2csc(-c3ccsc3)n2)cc1OC 19357908 TUYNHLFOAAENMP-UHFFFAOYSA-N 420.468 4.544 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222856576 LWGYRNGQYHWEJA-UXHICEINSA-N 408.483 4.631 5 40 HJBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 5021723 INWAAXBERSYDCF-UHFFFAOYSA-N 417.900 4.901 5 40 HJBB Cc1c(Cl)cccc1NC(=O)COc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9129140 ZCYZZEPCPCDEHN-UHFFFAOYSA-N 423.852 4.940 5 40 HJBB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107744438 ADRMMBOMURGERN-UHFFFAOYSA-N 419.821 4.774 5 40 HJBB CCc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1 408606786 PXZIGOZOPFCSGY-MDWZMJQESA-N 407.426 4.642 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6017266 AJGJAGLFNXHJDB-TWLJRWAQSA-N 412.449 4.585 5 40 HJBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Br)c1 11247776 DYNNZRKWJURILE-UHFFFAOYSA-N 421.294 4.864 5 40 HJBB O=C(Nc1ccccc1F)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 12621223 CLWFSUZGSHUCOO-UHFFFAOYSA-N 423.375 4.534 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 17092833 BZSYJIZEVRKJRO-UHFFFAOYSA-N 421.906 4.718 5 40 HJBB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 6229840 FQWNSXRUJNWHJJ-UHFFFAOYSA-N 406.891 4.607 5 40 HJBB CCOCCCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 7298570 FSIRNLNOKZCUOG-OAHLLOKOSA-N 413.499 4.585 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 12901373 XYRGTGQPUKJZLK-UHFFFAOYSA-N 420.347 4.543 5 40 HJBB O=C(COc1cccc2ccccc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14376462 RJOWOVKHKWZKTG-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB CCc1ccc(NCc2nc(-c3cc(Br)cs3)no2)cc1[N+](=O)[O-] 83825342 GLJVAORNLUFLRE-UHFFFAOYSA-N 409.265 4.643 5 40 HJBB O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 408620709 JFXHQRNUOGZSLI-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB Cc1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 409095145 BOBNQRNALAEYFM-GZTJUZNOSA-N 423.812 4.914 5 40 HJBB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 27348611 UPJIKPGTGPBWTA-INIZCTEOSA-N 423.256 4.537 5 40 HJBB Cc1cccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)c1 40398728 ZBRSHFMJXLMAHU-UHFFFAOYSA-N 407.473 4.615 5 40 HJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(F)cc1 408841140 FSQXHLUSEFGMAS-NTUHNPAUSA-N 402.790 4.947 5 40 HJBB COC(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc([N+](=O)[O-])c1 1097966 MENRYLSMHPSDMX-UHFFFAOYSA-N 403.605 4.594 5 40 HJBB Cc1cc(NC(=O)c2ccc(Br)cc2)nc2c1c(=O)oc1ccccc12 4108190 NBFCZYKOYUACNZ-UHFFFAOYSA-N 409.239 4.664 5 40 HJBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225564763 GGTZHRGSPHABAD-UHFFFAOYSA-N 412.486 4.769 5 40 HJBB Cc1c(-c2ccc(C(=O)n3c(C)c(C(=O)O)c4ccccc43)o2)cccc1[N+](=O)[O-] 226768390 ZFFQQLSYPNCSRI-UHFFFAOYSA-N 404.378 4.813 5 40 HJBB Cc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1C 408543340 OCFUKNXKOBZPNJ-YRNVUSSQSA-N 407.426 4.696 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1 4267933 CMOFFNWUAAMKBD-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB CCC(=O)Oc1cn(-c2cc(C)cc(C)c2)c2nc(CC)[n+]3c4ccccc4[nH]c3c12 5695311 ZWWICMBHNXOHML-UHFFFAOYSA-O 413.501 4.740 5 40 HJBB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 218051621 XTYSXHYECKQCRM-GOSISDBHSA-N 400.500 4.555 5 40 HJBB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 6479712 NVQDUSJLNKFONP-UHFFFAOYSA-N 405.406 4.522 5 40 HJBB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9659373 CPNFHIBVVNHWQO-UHFFFAOYSA-N 422.328 4.703 5 40 HJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc([N+](=O)[O-])ccc1Cl 33408362 SKZQTFYBRZYTSI-UHFFFAOYSA-N 404.791 4.532 5 40 HJBB O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 36391645 PDDPPVXNPDXCIF-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2427402 VHZCHZXZARGFMC-MRXNPFEDSA-N 411.509 4.931 5 40 HJBB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20150999 UUCZKJPRSOSYAU-UXBLZVDNSA-N 422.393 4.522 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2[N+](=O)[O-])CC1 59294524 LCRDCAHZCBDPLL-UHFFFAOYSA-N 414.462 4.832 5 40 HJBB Cc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H]2CCc3ccccc32)cc1 69948877 PZVKTWNXIZNDPX-QFIPXVFZSA-N 418.497 4.515 5 40 HJBB O=C(O[C@]12[C@@H]3CC[C@H](C3)[C@@H]1[C@H]1C[C@@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104293152 RACLCRFCTKUEHG-UTAVYNDISA-N 420.421 4.729 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265197 GQKCDQIVEUEHNV-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB COc1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] 9414829 LDHHQLMBMHQJCK-UHFFFAOYSA-N 420.450 4.883 5 40 HJBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 4273212 NKSSTCAILBIVQU-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB Cc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 5428641 GCWLPTLYVHAPJA-UHFFFAOYSA-N 420.469 4.928 5 40 HJBB O=[N+]([O-])c1ccccc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 12136067 GTDRQQNTVAQFDJ-UHFFFAOYSA-N 423.542 4.513 5 40 HJBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 16161710 WJOARFNBPJBGBW-NHCUHLMSSA-N 410.470 4.646 5 40 HJBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408907782 RONPQSSVJNDTBH-CJLVFECKSA-N 416.433 4.951 5 40 HJBB O=C(NCc1noc2cc(F)ccc12)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1669068739 HKHGVPHUYFTOEG-UHFFFAOYSA-N 422.372 4.989 5 40 HJBB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222945828 VTYINDWPSOZUME-LEWJYISDSA-N 422.510 4.878 5 40 HJBB Cc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1[N+](=O)[O-] 408634093 OWIPHTAKIHIIAA-OQLLNIDSSA-N 417.830 4.824 5 40 HJBB O=c1cc(CSc2nnnn2-c2ccc(Cl)cc2)c2c(ccc3ccccc32)o1 3493039 YPLSXSUCHJSMBW-UHFFFAOYSA-N 420.881 4.868 5 40 HJBB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6602570 HYLZOJGXXGSIHB-OAHLLOKOSA-N 416.890 4.634 5 40 HJBB Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 22831580 LJDBGIKVJXBRLK-UHFFFAOYSA-N 416.433 4.524 5 40 HJBB CCOc1ccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)cc1OC 24699390 XLAJSKYBUJBKCJ-UHFFFAOYSA-N 404.419 4.844 5 40 HJBB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 9668674 WQSSYUJNCLTRNM-UHFFFAOYSA-N 422.437 4.883 5 40 HJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1-c1ccc(CO)o1 20142995 CLSIJRAUNHLFNB-UHFFFAOYSA-N 421.453 4.508 5 40 HJBB CCCCCCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398823 CNPBWHDLNMGTPA-UHFFFAOYSA-N 401.510 4.534 5 40 HJBB CCOc1cccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 20482741 BXQJIRUZOZFVMW-XQNSMLJCSA-N 402.450 4.851 5 40 HJBB C[C@H]1CCC[C@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398760 XRZJMGCZMKEROC-RHGYRFJNSA-N 413.521 4.757 5 40 HJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2284681 ANICRUXCUAXXLQ-UHFFFAOYSA-N 411.509 4.923 5 40 HJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2333165 HXRXEFLTBKUHPI-UHFFFAOYSA-N 403.873 4.737 5 40 HJBB O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 408612149 UNTCRGLTVVBCCP-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6408668 LHEOQYHQKRQGPJ-HSBZDZAISA-N 410.898 4.971 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(F)cc1 9414192 LENGZHAJHXJGJT-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1 9899028 MVGPXPYXGPZNLC-LJQANCHMSA-N 402.472 4.793 5 40 HJBB O=C1C[C@@H](c2ccsc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1 13592882 XBZOXLHETJUVRP-SFHVURJKSA-N 416.462 4.983 5 40 HJBB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)ccc3C(=O)O2)cc1 11851802 OOPJFCFGKIKZIH-QFIPXVFZSA-N 416.433 4.918 5 40 HJBB Cc1cc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)ccc1[N+](=O)[O-] 809159 DNMQBFDQNLQQHK-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33736013 LNZGVFVPOVAXSL-UHFFFAOYSA-N 415.858 4.943 5 40 HJBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222978794 DHTKQBVLAOIJOU-RTWAWAEBSA-N 421.526 4.553 5 40 HJBB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc([N+](=O)[O-])c1 225832446 DFBZLTOBLIAANH-UHFFFAOYSA-N 414.421 4.883 5 40 HJBB COCCCn1c(C)cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 3414340 NKFGSJOVMNKTGC-UHFFFAOYSA-N 419.528 4.634 5 40 HJBB Cn1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cn1 95477198 UAANMJAOQUUWJA-UHFFFAOYSA-N 403.442 4.648 5 40 HJBB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 260759241 FJYFHGHKGHNWOV-CAYVGHNUSA-N 406.467 4.839 5 40 HJBB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 6650265 WEJJFVDWVQYMBI-NSHDSACASA-N 403.485 4.723 5 40 HJBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1Cl 20141066 UECXJJNCHSSOOM-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086877 ASMAIHHZXHJAPE-UHFFFAOYSA-N 422.812 4.791 5 40 HJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(CC)cc2)cc1 408577288 YZAVINZWTAGKOL-FQEVSTJZSA-N 412.515 4.647 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CSC3)cc1 2483555 UXQDAQBQDXGYTP-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc2ccccc12 8935085 RXGTWGKMYGIXKY-UHFFFAOYSA-N 413.345 4.610 5 40 HJBB Cc1ccc(CNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 9569659 BIBKBCKXCKBHDD-UHFFFAOYSA-N 406.467 4.518 5 40 HJBB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C 4273283 WTKGGLVOTIYRDP-UHFFFAOYSA-N 408.439 4.656 5 40 HJBB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 12441895 NTRCWTLMFOPBOC-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB COCCN(C(=O)c1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 12638713 BXTJQTBMYNAVOA-UHFFFAOYSA-N 423.450 4.758 5 40 HJBB CCOc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C(C)=O)n1CC 408582360 NDQMYIBPBZBKLS-UHFFFAOYSA-N 412.471 4.626 5 40 HJBB O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 408603896 CAKWPCYGPILHNN-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c(=O)c2ccccc21 2442506 ZCNAWCVVPNXFNS-UHFFFAOYSA-N 413.433 4.849 5 40 HJBB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C)cc1 22065768 VGAPNWHEMYOAKB-UHFFFAOYSA-N 403.847 4.941 5 40 HJBB O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 216327365 INCYCDIFGHTXNV-LFVJCYFKSA-N 424.460 4.638 5 40 HJBB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224780594 OWMKQNDDQYUKDY-UHFFFAOYSA-N 422.812 4.791 5 40 HJBB O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c12 2221366 QNJWQBAVLRZGMY-UHFFFAOYSA-N 414.848 4.872 5 40 HJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCCC3)cc2c1 17207291 XILWNKVGSNPAFY-UHFFFAOYSA-N 419.481 4.720 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140543 JQJJMGAZEGFSHU-UHFFFAOYSA-N 404.378 4.859 5 40 HJBB COc1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])c1 32932991 VPASZVNRCFYRHQ-UHFFFAOYSA-N 418.862 4.702 5 40 HJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c2ccccc12 226767223 LTCYGOKBNJMSNH-UHFFFAOYSA-N 418.405 4.901 5 40 HJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cn(Cc2ccccc2Cl)c2ccccc12 409316578 LNYJNVXMJCVJJU-KTKRTIGZSA-N 422.828 4.623 5 40 HJBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Cl)cc1 409171796 AOMAJDZZFZUOSB-BOPFTXTBSA-N 409.785 4.606 5 40 HJBB COc1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 7275962 AXXXPPMFUJDDBT-UHFFFAOYSA-N 401.850 4.719 5 40 HJBB O=[N+]([O-])c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCO4)sc2c1 7746560 IKVZDNAQWPJWKV-DAFODLJHSA-N 405.229 4.866 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(-c4ccc(C)cc4)c(C4CCCCC4)nc3oc2c1 2226765 SSZCSKOAMAQRGX-UHFFFAOYSA-N 416.477 4.857 5 40 HJBB C[C@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc23)C1 8765735 OXSHESPNDOSYGO-NSHDSACASA-N 420.874 4.920 5 40 HJBB Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(F)cc1 409206056 HDAHZMWGRBGLJU-UZYVYHOESA-N 405.838 4.504 5 40 HJBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 4819979 LYDDVKGNCKYFMG-UHFFFAOYSA-N 401.445 4.531 5 40 HJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccccc1 5156525 ZKNDXFJIKVLOHP-UHFFFAOYSA-N 411.509 4.697 5 40 HJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13811476 UEXIVPKUBVSPOF-WMZHIEFXSA-N 415.405 4.566 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 15993763 DWMDGIADZYWKBR-UHFFFAOYSA-N 405.401 4.685 5 40 HJBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)c([N+](=O)[O-])c1 4930206 DIIDMHCZRBLOMH-HXUWFJFHSA-N 408.410 4.650 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@H]1c1ccccc1 13007040 QXIHABSDJFDKGJ-OAQYLSRUSA-N 410.520 4.923 5 40 HJBB C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2c1 32777379 SFFQAHBHSJYFQT-ZDUSSCGKSA-N 407.451 4.859 5 40 HJBB Cc1ccc(-c2nc3sc4ccccc4c(=O)c3c(=O)n2Cc2ccccc2)cc1 2325931 BOBSJPCQJFOUOV-UHFFFAOYSA-N 410.498 4.995 5 40 HJBB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 13000750 ITLGVDZNXQBTOD-ZDUSSCGKSA-N 413.455 4.643 5 40 HJBB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 17088356 FDRDWSSQPWXZHF-UHFFFAOYSA-N 409.829 4.682 5 40 HJBB Cc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)on1 24503068 DIBKRCNMTYLATD-UHFFFAOYSA-N 401.806 4.514 5 40 HJBB CCN(CC)C[C@]1(Sc2ccc(C)cc2)COc2c(cc(C)cc2[N+](=O)[O-])C1=O 55149942 KNKHZYRPHQABLX-QFIPXVFZSA-N 414.527 4.660 5 40 HJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Cl)cccc12 408624609 VGQMHBQVTRERPS-UHFFFAOYSA-N 403.822 4.667 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2nc1Cl 5447028 CZJHXHBGVMZERJ-UHFFFAOYSA-N 406.623 4.811 5 40 HJBB Cc1cc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1Cl 16283169 ZTGFIIXCGJXGNX-UHFFFAOYSA-N 420.903 4.602 5 40 HJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1OC 20411971 XUYCKWMMFQCVBU-UHFFFAOYSA-N 419.393 4.673 5 40 HJBB Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2o1 1413952 DOEBNDWOBRKQAU-UHFFFAOYSA-N 403.394 4.729 5 40 HJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)o1 1439706 ABINLCZKTUFEQC-LDADJPATSA-N 404.378 4.516 5 40 HJBB COc1ccccc1Nc1nc(Nc2ccc(F)c(Cl)c2)nc(C)c1[N+](=O)[O-] 5394133 RBXBVRZMYJKENV-UHFFFAOYSA-N 403.801 4.982 5 40 HJBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 6263855 XPYSFFQNXKDCHK-UHFFFAOYSA-N 405.838 4.638 5 40 HJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2F)s1 14695441 GTACCDZJLXZKRA-JXMROGBWSA-N 416.459 4.530 5 40 HJBB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 24871138 HTOGDUNFZRNFQD-ZDUSSCGKSA-N 403.504 4.783 5 40 HJBB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 32771502 PIKSKSPFNNXBJE-OAHLLOKOSA-N 419.441 4.678 5 40 HJBB COc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)c2c1 41156481 UMHKQSVZQVLTKT-UHFFFAOYSA-N 405.204 4.673 5 40 HJBB Cc1ccc2c(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cccc2n1 57316202 WKHQVENWZOSYMR-UHFFFAOYSA-N 404.470 4.940 5 40 HJBB Cc1cc(I)ccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 140092571 YQFFSZBPUXHPLD-UHFFFAOYSA-N 422.178 4.506 5 40 HJBB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 3011914 NGDKPMVSPCODHB-CXUHLZMHSA-N 402.453 4.512 5 40 HJBB C[C@@H]1CCCCN1C(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 4421687 PBRWPEWJXJAVEN-OAHLLOKOSA-N 413.430 4.629 5 40 HJBB Cc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)c([N+](=O)[O-])n1 5970284 ZLGZLCDIIFRDIH-UHFFFAOYSA-N 413.861 4.680 5 40 HJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)s1 17155358 FOXNQGMDZQDWKY-UHFFFAOYSA-N 410.274 4.795 5 40 HJBB CCn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 408917461 UYDBLACBYIXQNR-YBFXNURJSA-N 407.451 4.806 5 40 HJBB O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 2801994 HSSNRAVGGCBCKZ-UHFFFAOYSA-N 424.482 4.976 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cccc(F)c1 4292571 ISXMFKBNYNWXQZ-UHFFFAOYSA-N 402.454 4.906 5 40 HJBB O=C(CCSc1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4496825 WUPYXHDLZRJJRJ-UHFFFAOYSA-N 403.460 4.978 5 40 HJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 12777542 CSDVIQXJQMBXRJ-ZDUSSCGKSA-N 415.396 4.680 5 40 HJBB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2[N+](=O)[O-])cc1 28288777 JTFKJBOKJOSSII-HSZRJFAPSA-N 415.449 4.946 5 40 HJBB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 6589302 YBCUFGOWBQKXJR-NSHDSACASA-N 403.460 4.977 5 40 HJBB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1O 18167670 FJBJEOTXBXENEW-UHFFFAOYSA-N 417.421 4.945 5 40 HJBB Cc1ccccc1NC(=S)/C(=C(\O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 96901978 VCSLRTYQRLDYII-UHFFFAOYSA-O 406.487 4.822 5 40 HJBB CC(C)c1ccc(CNCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 97002572 HKFSPTZROSWMKR-IBGZPJMESA-N 411.546 4.708 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222846930 KNWLHMJNIGOBDG-PMACEKPBSA-N 408.483 4.631 5 40 HJBB Cc1c(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cccc1[N+](=O)[O-] 408714141 JPZBEUBCHCSEOE-UHFFFAOYSA-N 408.458 4.523 5 40 HJBB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc21 7363426 GTVSVWUFDIJMOU-UHFFFAOYSA-N 409.467 4.832 5 40 HJBB Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 17092695 BLPJVCATQSDHLX-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 59500391 MAXUGBKMBSLEER-FGEXJBCWSA-N 424.456 4.556 5 40 HJBB biogenic COc1cc(C)c(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1OC 8163771 DMHGMOJOTZAWLY-UHFFFAOYSA-N 413.474 4.553 5 40 HJBB O=C(c1cccc(Cl)c1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16383815 VYHQQZDFRKLPMC-UHFFFAOYSA-N 414.676 4.517 5 40 HJBB COc1ccc(C)cc1NC(=O)[C@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 5170098 YJMUTOFARQQRQG-OAQYLSRUSA-N 410.401 4.810 5 40 HJBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1c(F)cccc1Cl 12658118 ZHKFHATVCAJGOI-SECBINFHSA-N 420.746 4.950 5 40 HJBB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 59294448 JNPSYBPSQWRNFH-UHFFFAOYSA-N 410.518 4.930 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)ccc3C(C)C)nc12 10010672 BUCDFRHWRDDPCP-UHFFFAOYSA-N 415.471 4.662 5 40 HJBB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 28911222 UTRIHWGCXCFAAQ-SECBINFHSA-N 408.336 4.502 5 40 HJBB Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cccc1[N+](=O)[O-] 58416995 DRYIKTTUNATVRN-UHFFFAOYSA-N 402.863 4.694 5 40 HJBB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9589128 FTWRCASTKONFHI-SNVBAGLBSA-N 422.388 4.676 5 40 HJBB COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC(F)F 10958596 HMYKXMQDVOWULZ-TWSLPJAOSA-N 424.444 4.540 5 40 HJBB O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccs1 11256184 JRRTVFNAJGEUSD-LJQANCHMSA-N 401.875 4.627 5 40 HJBB CC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 13228198 IWWVHUUXCFZJCI-UHFFFAOYSA-N 404.857 4.773 5 40 HJBB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 32396808 MACBMVQRKYKERZ-OAQYLSRUSA-N 413.543 4.920 5 40 HJBB Cc1ccc(-c2noc(CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)n2)cc1 4958766 HIWHIRCZYYCTNE-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 6650289 WEJJFVDWVQYMBI-LLVKDONJSA-N 403.485 4.723 5 40 HJBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 12512309 OHUTVTBTETWICX-ZDUSSCGKSA-N 422.312 4.995 5 40 HJBB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccc([N+](=O)[O-])cc1 28221560 KVSDGEAZCZIOHK-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB O=[N+]([O-])c1ccc(Oc2ccc(/C=C3\SC(=S)N=C3O)cc2)c([N+](=O)[O-])c1 33155018 NYJNYDIKKAUJBU-AUWJEWJLSA-N 403.397 4.624 5 40 HJBB COc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl 72229538 KCNNQFHPYWUKBO-UHFFFAOYSA-N 403.866 4.745 5 40 HJBB O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 79110802 DARCIZSXAYNAQN-KRWDZBQOSA-N 405.414 4.513 5 40 HJBB Cc1c(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 6142183 VKCDXFXQZRWLNU-SFHVURJKSA-N 423.465 4.560 5 40 HJBB Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 6786894 GHPBFYBMPUXOTP-UHFFFAOYSA-N 420.556 4.760 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222902160 CKMYIQLSOQZRNP-WOJBJXKFSA-N 408.483 4.632 5 40 HJBB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225075069 WMXFHIXVOZCTPS-UHFFFAOYSA-N 412.467 4.911 5 40 HJBB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c1 408694282 IJCJWIMOFUAHCX-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=[N+]([O-])c1ccc2[nH]c(CCCCCCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 6446010 RWQPAMIYBUSFQP-UHFFFAOYSA-N 408.418 4.601 5 40 HJBB O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3s2)cc1 9252419 UCWBXYISICHIPO-UHFFFAOYSA-N 419.462 4.567 5 40 HJBB CC[C@H](C)Oc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 10010647 SWPWSJDCVVILRR-NSHDSACASA-N 401.444 4.643 5 40 HJBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 13284043 DMRUZAXSPZMERD-UHFFFAOYSA-N 422.388 4.530 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 59500396 GUZQUGHRGNYXBL-VUUXHMSQSA-N 424.456 4.556 5 40 HJBB biogenic CNc1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 5510569 OGDUPMWSXLHCGN-GFULKKFKSA-N 403.398 4.676 5 40 HJBB CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 6596490 CCCNEHMVHKLJED-UHFFFAOYSA-N 412.445 4.747 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21)c1ccccc1 408618541 DHUKYMZUORQRNH-IMAQQZIHSA-N 420.852 4.643 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 837498 WMMNXHFMAYKGRP-UHFFFAOYSA-N 409.286 4.942 5 40 HJBB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 1004634 QGRTXPDDJRYYBZ-UHFFFAOYSA-N 417.421 4.983 5 40 HJBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 2512883 HEYFDQLCWNXQHX-UHFFFAOYSA-N 418.858 4.628 5 40 HJBB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 8926511 AETPTCPPSMYDGV-UHFFFAOYSA-N 416.462 4.936 5 40 HJBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12)c1ccccc1 59417253 YAFUIOTZRGCFRX-UHFFFAOYSA-N 412.401 4.850 5 40 HJBB COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)o1 524732103 XFHMCMIQOMRXMW-UHFFFAOYSA-N 424.412 4.551 5 40 HJBB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4029086 FPVGTJGAJPZJET-WFBICUIVSA-N 403.930 4.869 5 40 HJBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 222709501 ZQBMZWGUQYZSOC-ONGXBYRLSA-N 419.510 4.760 5 40 HJBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2256370 SOQAQRFWJHTBTL-UHFFFAOYSA-N 411.509 4.616 5 40 HJBB COc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c([N+](=O)[O-])c1 4994000 JFIFLYCLFFFWJP-UHFFFAOYSA-N 408.439 4.509 5 40 HJBB CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1[N+](=O)[O-] 6355658 YTWXYUUEENONCV-UHFFFAOYSA-N 407.835 4.518 5 40 HJBB O=C(c1ccccc1)c1ccc(N2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 12632632 QXIZEDAAZIHFHC-UHFFFAOYSA-N 421.884 4.806 5 40 HJBB CCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 32111805 ZXEOPENODQPSIR-YVLHZVERSA-N 418.858 4.883 5 40 HJBB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6416150 LHEOQYHQKRQGPJ-IYXRBSQSSA-N 410.898 4.971 5 40 HJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc1 12780306 HCLJGNJIAUZBTP-UHFFFAOYSA-N 411.393 4.667 5 40 HJBB CCOC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 10440854 GJCJVVXCULHIRC-PXLXIMEGSA-N 416.433 4.951 5 40 HJBB CCOP(=O)(OCC)[C@@H](Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 65090428 IMUHDWYNYYMJDO-GOSISDBHSA-N 409.379 4.562 5 40 HJBB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 71889360 RYZUCYJRVCXIII-HXUWFJFHSA-N 423.517 4.683 5 40 HJBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1049779 IMWKXFHUWMQEIK-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=S)cc1 4892173 XNUUCLIAHQNCHC-UHFFFAOYSA-N 401.875 4.565 5 40 HJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3Br)nc12 13643553 WPCDZOIMRVGHLW-UHFFFAOYSA-N 410.300 4.934 5 40 HJBB O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16600946 FAZMYFZGSMCDFJ-UHFFFAOYSA-N 419.865 4.564 5 40 HJBB O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 408994472 ZKKLZMXPIOHMPW-UHFFFAOYSA-N 422.492 4.618 5 40 HJBB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 4340746 SUQSUUAVMFCTGF-UHFFFAOYSA-N 401.374 4.896 5 40 HJBB biogenic Cc1c(C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)cccc1[N+](=O)[O-] 10330567 NTGJEXJMEGPRHT-HSZRJFAPSA-N 403.482 4.623 5 40 HJBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3ccc([N+](=O)[O-])cc3)c2C)cc1 11373670 MHTASCBLMFKKFM-OUKQBFOZSA-N 405.454 4.521 5 40 HJBB Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cs1 12904030 BYAXFJSBNMOCGZ-UHFFFAOYSA-N 407.904 4.714 5 40 HJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3cccs3)C2)cc1 16216468 BSIGYHJPXXSUKR-LJQANCHMSA-N 424.438 4.929 5 40 HJBB C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2ccnc2)cc1 9915573 GMSLVTPVZMEBDH-OAHLLOKOSA-N 402.410 4.532 5 40 HJBB CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21 17206430 RIGXFDIOJQDJNN-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2761510 RSANFDLUIRMHRA-UHFFFAOYSA-N 420.830 4.999 5 40 HJBB CN1CCN(c2ccc([N+](=O)[O-])c(NC(c3ccccc3)c3ccccc3)c2)CC1 4687377 RHCKSABVOKGXBN-UHFFFAOYSA-N 402.498 4.548 5 40 HJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1C 6449712 SDURENONWTXRSE-UHFFFAOYSA-N 413.430 4.738 5 40 HJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccccc1-c1ccccc1 9119784 ABKXZAXGVNTTBT-UHFFFAOYSA-N 424.478 4.839 5 40 HJBB O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])c3cccnc23)c2ncccc12 17091384 YDDVAIFKIUQQCE-UHFFFAOYSA-N 418.413 4.514 5 40 HJBB O=C(CSc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 11341137 VDJVLZAKQDVRRP-UHFFFAOYSA-N 401.669 4.742 5 40 HJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccccc1 408575995 XDTUTKXNCMGXHE-INIZCTEOSA-N 409.298 4.993 5 40 HJBB CSc1cccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 9707586 VAEWZSLYFODMOV-UHFFFAOYSA-N 412.452 4.834 5 40 HJBB CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])s1 17961252 HMXAELSRRKRINN-UHFFFAOYSA-N 406.504 4.752 5 40 HJBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(C)cc2N1 72332699 VTSQSZYBPIIICA-HXUWFJFHSA-N 423.860 4.681 5 40 HJBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408562112 MUAVFEHWDYPXLF-LNVKXUELSA-N 413.474 4.977 5 40 HJBB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] 408996097 KXTACCABWGQOOH-BWAGFHJFSA-N 416.433 4.773 5 40 HJBB O=C(Oc1cccc2c1Oc1nc3ccccc3nc1O2)c1ccccc1[N+](=O)[O-] 984202 MOEARZNYYRPZFN-UHFFFAOYSA-N 401.334 4.655 5 40 HJBB CCOC(=O)c1ccccc1Oc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 1088437 QPYKUYIBDDIGAR-UHFFFAOYSA-N 420.377 4.922 5 40 HJBB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 4273292 SPAXQNOIPKNNOZ-UHFFFAOYSA-N 408.439 4.656 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2SC[C@H]1c1ccccc1 6840991 QVMLXDFEEBZWAG-IBGZPJMESA-N 406.463 4.854 5 40 HJBB Cc1noc(/C=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1[N+](=O)[O-] 8744522 PLGBSTJHJBWYDJ-IZZDOVSWSA-N 420.400 4.794 5 40 HJBB COc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC(F)F 10958590 HMYKXMQDVOWULZ-OWFXSXJRSA-N 424.444 4.540 5 40 HJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 20808383 RXCRHZPYZPKZOW-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] 408628829 CHALHXPQHXDOLP-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408805430 KAERPFMFFKUMMM-UHFFFAOYSA-N 410.406 4.757 5 40 HJBB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl 29462450 NRXOZMCDFWJSEO-UHFFFAOYSA-N 401.850 4.517 5 40 HJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2418448 BVPRENRNHQTMLV-UHFFFAOYSA-N 419.529 4.535 5 40 HJBB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 4177241 RMKPVCUPXRAUOI-FYYLOGMGSA-N 401.422 4.846 5 40 HJBB O=[N+]([O-])c1ccc2nc(SCc3nc4ccccn4c3Br)sc2c1 9086925 JHRRCAPALULCJB-UHFFFAOYSA-N 421.301 4.907 5 40 HJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 14132496 IXRDWLVDLJMBPN-UDWIEESQSA-N 420.446 4.993 5 40 HJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 218049748 GVARBBKKCANLEV-UHFFFAOYSA-N 406.463 4.698 5 40 HJBB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 9698622 MZBRWYNIYSVYAQ-UHFFFAOYSA-N 423.856 4.739 5 40 HJBB O=C(Nc1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccc([N+](=O)[O-])cc1 28221718 RLMFLEGZBDPTEU-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 687048 PCILEUYYNJVEEN-SNVBAGLBSA-N 422.890 4.864 5 40 HJBB CCOC(=O)C(=O)[C@H](CCc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC 1593340 YMWNHIYMPTXDTO-NRFANRHFSA-N 416.473 4.828 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccs1 4267949 NMNVFZFVPILPHW-UHFFFAOYSA-N 407.407 4.907 5 40 HJBB Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 4893560 OTHCBBJATXSACR-UHFFFAOYSA-N 416.886 4.952 5 40 HJBB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 7759753 REQAPANGNQUQIL-UHFFFAOYSA-N 414.849 4.739 5 40 HJBB Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 12556123 DKOSQHGSDYVHIX-UHFFFAOYSA-N 418.291 4.521 5 40 HJBB CCc1cc(N2CCC(c3ccc(O)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 65514689 VIWRCDSKIWPCQS-UHFFFAOYSA-N 404.470 4.704 5 40 HJBB COc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl 72229536 UDFMHJKMDBEHBT-CYBMUJFWSA-N 403.866 4.888 5 40 HJBB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 2300646 ICAMZMGPBZILLD-IBGZPJMESA-N 401.260 4.887 5 40 HJBB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2993074 CUDQXAVKHAXSAU-DHDCSXOGSA-N 419.256 4.594 5 40 HJBB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 13584198 OEDXTABUSDHHRR-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29527622 DOAQYQOTKTVUIQ-UHFFFAOYSA-N 414.918 4.694 5 40 HJBB COc1cc(CO)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409114325 GYCZNKOEMYFLCW-UHFFFAOYSA-N 422.153 4.669 5 40 HJBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc2nc3ccccc3nc12 5524956 NBFWQHUSMJBCCD-CYFREDJKSA-N 408.505 4.540 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1OC 15833801 LPIQOHDHAPNABK-CQSZACIVSA-N 424.457 4.565 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 29527627 WCKVZVIJOSKNJP-UHFFFAOYSA-N 414.918 4.694 5 40 HJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408630288 RCAHKHIWPMYOET-UHFFFAOYSA-N 412.511 4.863 5 40 HJBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 2226370 SJWFJOPZMVVSQD-UHFFFAOYSA-N 403.467 4.838 5 40 HJBB O=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2c(ccc3ccccc32)o1 3350632 DPAGQRODACWPQH-UHFFFAOYSA-N 405.759 4.828 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1cccc([N+](=O)[O-])c1 4267170 CXFNMPNFEMUOEZ-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5017907 PZVKONIXWZABGQ-LBPRGKRZSA-N 404.850 4.730 5 40 HJBB O=C(NC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 5946628 KRIHWCSMSQOCJA-UHFFFAOYSA-N 411.801 4.676 5 40 HJBB C[C@H]1CCCCN1C(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313196 AVSRIUHIMYPRLU-ZDUSSCGKSA-N 408.552 4.886 5 40 HJBB CCN(c1ccccc1)[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 5499536 GCFVHYZHIZAETE-XZOQPEGZSA-N 417.465 4.586 5 40 HJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-] 408998980 JRYSZGDTLOMUKZ-LEOXJPRUSA-N 416.433 4.773 5 40 HJBB COc1ccc([C@H](OC)c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)cc1OC 12902274 BEASPGXVZCQOJS-QHCPKHFHSA-N 406.434 4.713 5 40 HJBB biogenic CCCCOC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 12910543 ISMPCNJMOLPYNP-UHFFFAOYSA-N 407.806 4.541 5 40 HJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 30945732 ZKPKSWIRWVUIJN-AWEZNQCLSA-N 408.285 4.752 5 40 HJBB C[C@@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1[N+](=O)[O-] 72229608 SDQWKEBABFBNNJ-CQSZACIVSA-N 403.866 4.645 5 40 HJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1c(c(C(=O)O)cc3ccccc13)O2 4644886 PEMSNAGPTUDVDY-XMMPIXPASA-N 416.433 4.976 5 40 HJBB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17087998 KGHNKRMTNZUYBD-KRWDZBQOSA-N 408.502 4.826 5 40 HJBB CCN(CC)C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974754 DKAJTAFFEVPPBI-UHFFFAOYSA-N 412.522 4.918 5 40 HJBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C12CC3CC(CC(C3)C1)C2 7109757 MNBSQAVBZXEYDS-RNXZQOMOSA-N 411.546 4.920 5 40 HJBB Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 408617061 BIFBOOQVNNCACY-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB CC(C)c1ccc(/C=C/C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6346344 LHBYHQBCFZRCGC-DHZHZOJOSA-N 413.905 4.734 5 40 HJBB O=[N+]([O-])c1cccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)c1 9360036 FYYRYQFAXPLEKI-QGZVFWFLSA-N 402.476 4.816 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 30520203 QMWHVNXUSGLNAY-UHFFFAOYSA-N 414.918 4.694 5 40 HJBB O=C(/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 100930859 HXMYNEINBIGHMU-FCQUAONHSA-N 401.447 4.855 5 40 HJBB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215018845 GHGUUNYPEMEYHJ-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 222709229 DPQMJULSCUARIY-ONGXBYRLSA-N 419.510 4.760 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2[N+](=O)[O-])CC1 19162895 WGZCNCDQJVVHRD-UHFFFAOYSA-N 418.837 4.645 5 40 HJBB CC(=O)Nc1cccc(Nc2nnc(SCc3cccc([N+](=O)[O-])c3C)s2)c1 40127910 SHOLIIKGHRJPSJ-UHFFFAOYSA-N 415.500 4.749 5 40 HJBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 222709441 ZQBMZWGUQYZSOC-GQWLDOHISA-N 419.510 4.760 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3cccs3)nc21 2241504 LHBSUIMMLOMRMT-UHFFFAOYSA-N 405.523 4.872 5 40 HJBB CC[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(=O)OC)C1 5476963 XWDLQBZGNJXYEW-LBPRGKRZSA-N 402.472 4.519 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1OC 11617446 MFFMCVIZTHTNQY-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc([N+](=O)[O-])o3)cccc2c1Cl 59294475 LNYHSJAYMMHUFC-UHFFFAOYSA-N 421.862 4.837 5 40 HJBB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc1-2 409053807 PZEDSTNYGXJWSF-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB CC1(C)CC(N(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1 1622697 GVQGXSUXPMJCMX-ZRDIBKRKSA-N 403.523 4.672 5 40 HJBB CN(Cc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 2632745 PKGFFGSSCQJOPH-UHFFFAOYSA-N 409.486 4.571 5 40 HJBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 4555217 HRNDKIVQOUJNTC-INIZCTEOSA-N 406.895 4.505 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](CC)C2 1088407 SYDWONUKSYFJFG-CYBMUJFWSA-N 416.499 4.909 5 40 HJBB O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(CCc3ccccc3)c(=O)c12 2212968 VIANPETXVBPKHK-UHFFFAOYSA-N 412.420 4.552 5 40 HJBB COc1ccc(-c2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C)cc1 6942497 OJZYMGQTSHCJPE-UHFFFAOYSA-N 415.496 4.766 5 40 HJBB Cc1c(O)ccc2c1oc1c(-c3cnn(C)c3)c3c(O)nn(C4CCCCC4)c3nc12 79484636 WHFSQWCTCSEDFV-UHFFFAOYSA-N 417.469 4.956 5 40 HJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(Cn2cncn2)cc1 95946785 JIMHUMNZJKXLHL-UHFFFAOYSA-N 411.771 4.519 5 40 HJBB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1 227173100 UUTIJNYQTKEXDQ-FSNWXROXSA-N 417.421 4.580 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978142 KTCSJGUPCKQXEQ-UHFFFAOYSA-N 424.420 4.781 5 40 HJBB Cc1ccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c(C)c1 1452526 BUOLXFVFRAFHQC-MRXNPFEDSA-N 416.692 4.750 5 40 HJBB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1[N+](=O)[O-] 3008339 DOWVIOATQWMKOA-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 4288747 WDWMVCMIRYZHKD-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17092710 KTMDWOOHMFWNDN-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)C1 2959659 UHKOLDNYBMZSOO-HOTGVXAUSA-N 404.539 4.632 5 40 HJBB COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[N+](C)(Cc1ccc(O)cc1)CC2 4273406 ISWWMWNKTBYUCP-BXXZMZEQSA-O 420.529 4.602 5 40 HJBB Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20145111 QWXYLGNLKXUWAG-YCRREMRBSA-N 412.829 4.961 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])c(NCc2ccco2)c1)NC12CC3CC(CC(C3)C1)C2 4622550 CWTXOUZIFBYEPL-UHFFFAOYSA-N 410.474 4.890 5 40 HJBB COc1ccc2c(=O)c3c(nc(Cc4ccccc4)n4c5ccccc5nc34)oc2c1 5209041 RJMPIMCNYKJRKX-UHFFFAOYSA-N 407.429 4.742 5 40 HJBB COc1ccc(CN(C)c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 15833911 ZGMYPUZFQRFVPQ-UHFFFAOYSA-N 406.398 4.550 5 40 HJBB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] 32815072 FZKDUBKKHBPCFZ-KRWDZBQOSA-N 422.268 4.535 5 40 HJBB Cc1nn(CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)c(C)c1[N+](=O)[O-] 3441926 MWYBSJWZTJYGKK-UHFFFAOYSA-N 414.259 4.721 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1 11250425 KKTKZTQIPVWJMO-UHFFFAOYSA-N 424.422 4.532 5 40 HJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Br)ccc1Cl 17089371 IETZQZDYPIAEJA-UHFFFAOYSA-N 412.652 4.873 5 40 HJBB Clc1ccc2nc(C[N+]3(Cc4cn5cc(Cl)ccc5n4)CCCCC3)cn2c1 32912497 RTOCMGNAXUWNJC-UHFFFAOYSA-N 415.348 4.990 5 40 HJBB O=C(N[C@@H]1CCSc2c(F)cccc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 64898071 LPTFBMJCYZRRCX-OAHLLOKOSA-N 415.471 4.824 5 40 HJBB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222945700 VTYINDWPSOZUME-SFTDATJTSA-N 422.510 4.878 5 40 HJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 1413888 CMORRNRVOROOJD-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1nc2ccccc2s1 5687632 QVIHTYCXESRPJI-VIFPVBQESA-N 410.377 4.662 5 40 HJBB COc1cc(Br)c(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1O 5156088 NGMWMWCYKKGJQD-AATRIKPKSA-N 401.216 4.790 5 40 HJBB O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(Nc4ccccc4)s3)n2)c1 31843447 VTIRKRRRPIELBH-UHFFFAOYSA-N 412.456 4.532 5 40 HJBB O=C(COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 408609135 OGKBWPJCSQWNNC-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB O=C(N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 836681 NUNIHUHXAOMDGP-CQSZACIVSA-N 424.067 4.753 5 40 HJBB Cc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1[N+](=O)[O-] 6235518 GKAPZJVPGYWTCO-UHFFFAOYSA-N 403.154 4.937 5 40 HJBB C[C@@H]1[C@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889613 INWAIRBJADEMBM-ZSSDLHNXSA-N 423.416 4.794 5 40 HJBB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 409173934 PTQGCMYEVNGNDN-UHFFFAOYSA-N 405.406 4.522 5 40 HJBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1 409181607 DMECUGWPFPBJJA-UHFFFAOYSA-N 420.421 4.849 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(C3CCCCC3)nc21 6815154 FWEQAEDOKUQTFO-UHFFFAOYSA-N 419.912 4.939 5 40 HJBB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cc12 12997160 IOWLPTCPTZESAJ-CQSZACIVSA-N 400.504 4.804 5 40 HJBB CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 2062823 KTOIZYSJRCTEMM-HNNXBMFYSA-N 424.453 4.911 5 40 HJBB Cc1nc(COc2ccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cs1 7068975 GCOUSMHKQQVCOC-AWEZNQCLSA-N 411.483 4.772 5 40 HJBB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 58981108 DTVXCZYBERLVJX-UHFFFAOYSA-N 418.375 4.977 5 40 HJBB COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@+](C)(Cc1ccc(O)cc1)CC2 245239428 ISWWMWNKTBYUCP-SQHAQQRYSA-O 420.529 4.602 5 40 HJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 5142182 HKFUVMWVWCYYGQ-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cc2cc([N+](=O)[O-])ccc2s1 9427925 FQTYXGGHUNLBGV-UHFFFAOYSA-N 420.450 4.991 5 40 HJBB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 71889319 VQBFIDWHRNEARO-DEOSSOPVSA-N 421.541 4.892 5 40 HJBB CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] 3429728 OWJNOYJVPQPIPQ-UHFFFAOYSA-N 424.453 4.617 5 40 HJBB Cc1cccc(C)c1NC(=O)COc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 5422889 GXDBOFXVNLAUNX-UHFFFAOYSA-N 403.434 4.595 5 40 HJBB COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccccc1 8496235 POKIJKMNNDADOG-VHXPQNKSSA-N 415.405 4.834 5 40 HJBB CCn1c(=O)c(C)nc2cc(C(=O)OCc3nc4ccccc4c4ccccc34)ccc21 9244654 XYSHFTFZKJEETC-UHFFFAOYSA-N 423.472 4.783 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1C 11620935 HVHSOQYNYOSHRH-UHFFFAOYSA-N 402.882 4.516 5 40 HJBB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1csc([N+](=O)[O-])c1 40140373 JQCDMAGUYUIBRJ-UHFFFAOYSA-N 412.905 4.706 5 40 HJBB Cc1ccc2cc3c(N)c(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)sc3nc2c1 812949 GNRLDBRUDHFZLW-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB CC(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5489156 GQRPWUOFWFUVAV-UHFFFAOYSA-N 415.537 4.869 5 40 HJBB CC[C@@H](C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 6552781 CFJXIOSNOGDEAE-CYBMUJFWSA-N 411.487 4.640 5 40 HJBB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 9671219 SCJGVIJNMLXWFN-UHFFFAOYSA-N 423.498 4.746 5 40 HJBB Cc1cc(Br)ccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777361 MFNWCBQUAKIXJN-UHFFFAOYSA-N 422.260 4.538 5 40 HJBB O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2c(ccc3ccccc32)o1 54106009 OZNGWFRTVWMNNH-UHFFFAOYSA-N 404.897 4.922 5 40 HJBB biogenic Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)c1 2433405 GEEFFZNGJPZOJC-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB CC(=O)Nc1ccc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 16778592 RYDAODNIHZDYFP-UHFFFAOYSA-N 401.322 4.631 5 40 HJBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1c(Cl)cccc1Cl 22079719 YFOOULAQFLKPJG-UHFFFAOYSA-N 416.160 4.987 5 40 HJBB COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Cl)cc1)=N2 4129804 YINHDTJWYNPZFB-UHFFFAOYSA-N 406.829 4.691 5 40 HJBB O=[N+]([O-])c1cc2c(c(COc3ccc4ccc(C(F)(F)F)nc4c3)c1)OCOC2 58391781 MLGLFSOZUTVIJQ-UHFFFAOYSA-N 406.316 4.607 5 40 HJBB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563089 CMGUZJKWNFWWFL-UHFFFAOYSA-N 410.470 4.603 5 40 HJBB O=C(NCCCN1CCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 13674962 YBPTYPLDXFMFCM-FCDQGJHFSA-N 407.514 4.518 5 40 HJBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OC 79188860 ZUAGIEBYCOFWAJ-UHFFFAOYSA-N 419.437 4.595 5 40 HJBB biogenic O=[N+]([O-])c1c(O)nc(/C=C\c2cccc(OCc3cccc4ccccc34)c2)nc1O 409340525 YNMHYZTYVPIFGK-QXMHVHEDSA-N 415.405 4.699 5 40 HJBB O=c1c2ccccc2oc2nc(-c3ccccc3Cl)n(Cc3ccccc3)c(=O)c12 2197766 YGELWGOMGGHFHQ-UHFFFAOYSA-N 414.848 4.872 5 40 HJBB COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1OC 6868032 FWIKGUQNKDSGFU-UHFFFAOYSA-N 400.390 4.680 5 40 HJBB O=C(NCc1ccccc1COCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 36391619 JSDCWVVLIKLCIK-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2255931 HLRMYMQHUCUFCK-UHFFFAOYSA-N 417.900 4.652 5 40 HJBB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)C1 2959658 UHKOLDNYBMZSOO-HZPDHXFCSA-N 404.539 4.632 5 40 HJBB C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1cccs1 16822021 FRAWVFUKKQQHJJ-AWEZNQCLSA-N 418.547 4.894 5 40 HJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)c1cccc(F)c1 58065415 MEXLFCAUVFLCQW-UHFFFAOYSA-N 423.444 4.777 5 40 HJBB O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 106724389 DVDYDKXXHRJUGH-DHDCSXOGSA-N 419.256 4.594 5 40 HJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1cc(Br)ccc1O2 4794286 OMOQPYVLAIHVOU-IBGZPJMESA-N 401.260 4.887 5 40 HJBB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 409171954 FMBGIGKQFKECMU-UHFFFAOYSA-N 419.433 4.830 5 40 HJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 7780470 ZJFKTJCZBJGALS-OAHLLOKOSA-N 410.417 4.900 5 40 HJBB C[C@@H](c1ccccc1)n1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2213641 PPQLOESNSIGBHQ-KRWDZBQOSA-N 407.473 4.525 5 40 HJBB Cc1ccc(C)c(NC(=O)COc2cc(O)c3c(=O)c4cccc(C)c4oc3c2)c1 5352728 ATBQQTMGQFBYHU-UHFFFAOYSA-N 403.434 4.595 5 40 HJBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 7161057 WFLRACAPMKMXPK-UHFFFAOYSA-N 412.471 4.673 5 40 HJBB CC(=O)Oc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10040182 BVTLENLNSZJBAS-UHFFFAOYSA-N 407.378 4.669 5 40 HJBB COc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 40069915 OTWUWKKKXNVSIX-SNVBAGLBSA-N 414.792 4.691 5 40 HJBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 102114232 FUOHEZJTPBQPQM-ORAYPTAESA-N 405.545 4.724 5 40 HJBB O=C(N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 836684 UTILHPSTCURICO-AWEZNQCLSA-N 424.067 4.753 5 40 HJBB Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccc(C)cc2)cc1 5450854 ZYLLOSWGYDIGBA-UHFFFAOYSA-N 407.473 4.521 5 40 HJBB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1OC 8903867 CMADBEWSWLOFOY-UHFFFAOYSA-N 419.393 4.673 5 40 HJBB CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br 17089693 ZKGMZPZLWSTZMY-UHFFFAOYSA-N 413.655 4.970 5 40 HJBB O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl 2764173 RLTIKLCKZLHDGN-UHFFFAOYSA-N 409.204 4.538 5 40 HJBB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 4545094 YBZUEVNADLWZBZ-WLRWDXFRSA-N 409.467 4.895 5 40 HJBB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 9350411 VJLFXQVWARDSSI-MAUKXSAKSA-N 416.503 4.654 5 40 HJBB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 12998933 WZOJWLHHNIEFLZ-UHFFFAOYSA-N 400.818 4.546 5 40 HJBB Cc1noc([C@H](C)Sc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)n1 26086246 WMMPRNXBCILXDC-ZDUSSCGKSA-N 407.455 4.992 5 40 HJBB O=C(c1cc(N[C@@H]2CCCC[C@@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 95444757 DTNPJAWCWQOXGV-CTNGQTDRSA-N 401.507 4.513 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 4267172 FXRBICMJPYWNED-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1Cl 9397805 INIWBMOJXZLGFH-UHFFFAOYSA-N 417.632 4.659 5 40 HJBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc2ccccc2c1 3101102 RZYMZBCXNKOQBT-UHFFFAOYSA-N 413.345 4.610 5 40 HJBB CCC(=O)Oc1cn(-c2cccc(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 5454038 FNYQMXVZWMTULS-UHFFFAOYSA-N 414.465 4.713 5 40 HJBB C[C@H](OC(=O)/C(=C/c1ccccc1)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 22704269 IDSZLZGNBUAURE-SJPXOZHESA-N 422.462 4.767 5 40 HJBB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)CC3 25546917 ZEUCEFRXYFWXFB-UHFFFAOYSA-N 421.500 4.529 5 40 HJBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1COc1ccccc1 58172321 CTLLWQVKNHYMGF-UHFFFAOYSA-N 402.406 4.850 5 40 HJBB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 6503898 RIIGYVNWZWYMEL-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 9019464 DNBPIPULVWMDBZ-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(C)cc4[N+](=O)[O-])ccc3C(=O)O2)cc1 12274523 PEYLZHJKKSJYPO-QFIPXVFZSA-N 416.433 4.918 5 40 HJBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16384011 BFLAOIKJCNLGRZ-UHFFFAOYSA-N 414.676 4.517 5 40 HJBB COc1ccc(Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2[N+](=O)[O-])cc1 89453845 JWCBNYXHPTWKPW-CPNJWEJPSA-N 416.389 4.740 5 40 HJBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408567673 HCKGUCSOFSFKDA-OAQYLSRUSA-N 420.494 4.848 5 40 HJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2308984 DCUCVUAIVCZFDZ-UHFFFAOYSA-N 415.472 4.785 5 40 HJBB COc1ccc(C)cc1NC(=O)[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 5170102 YJMUTOFARQQRQG-NRFANRHFSA-N 410.401 4.810 5 40 HJBB CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 16161712 WJOARFNBPJBGBW-LEWJYISDSA-N 410.470 4.646 5 40 HJBB O=c1nc2c3ccccc3/c(=C\c3ccc(Cl)cc3)n2c2sc3c(c12)CCC3 16756696 KFEKNAMREULNJW-LDADJPATSA-N 402.906 4.752 5 40 HJBB CC(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 2709778 PUFQADHIKZCLNE-UHFFFAOYSA-N 401.831 4.827 5 40 HJBB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1[N+](=O)[O-] 4471799 KCQZFQPBMOBYDV-BKUYFWCQSA-N 414.417 4.827 5 40 HJBB CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4714329 SYAWVZIMRVSBCH-UHFFFAOYSA-N 421.475 4.524 5 40 HJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2 4794285 OMOQPYVLAIHVOU-LJQANCHMSA-N 401.260 4.887 5 40 HJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5428684 HSTFNKMRUYKNST-UHFFFAOYSA-N 406.442 4.620 5 40 HJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1 12650857 DZLRAQBSSZXLJD-UHFFFAOYSA-N 418.862 4.849 5 40 HJBB O=c1c([N+](=O)[O-])c(Oc2ccc(-c3nc4ccccc4s3)cc2)nc2ccccn12 12766617 IKLURZODLMBJDI-UHFFFAOYSA-N 416.418 4.672 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17092702 BMQZHIIUGVXZPR-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB CC(C)(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 28287222 QRJHCFXXQQXUDQ-UHFFFAOYSA-N 419.481 4.900 5 40 HJBB CC(C)CSc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 40073227 CVFZFOZVLNCDML-UHFFFAOYSA-N 409.518 4.537 5 40 HJBB O=C(NCc1ccccc1COCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 40105182 OJFJQMNXKJAROS-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB Cc1nc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 408619231 AIXNXDYLCQSNIC-UHFFFAOYSA-N 402.204 4.573 5 40 HJBB CCOc1ccc(Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 6261425 KBZWQTXFILKVQJ-UHFFFAOYSA-N 408.410 4.803 5 40 HJBB O=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 8722191 DPIKEIUDIOODTP-UHFFFAOYSA-N 415.037 4.511 5 40 HJBB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 11759958 QYBRIICZJQEEPD-UHFFFAOYSA-N 405.410 4.752 5 40 HJBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 13841730 HETUOOWFOFDAHT-YBFXNURJSA-N 406.419 4.690 5 40 HJBB O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40098860 AYWDTQUOOPOSID-UHFFFAOYSA-N 416.481 4.540 5 40 HJBB Cc1csc(Sc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2[N+](=O)[O-])n1 69949186 FPFJBQLLNHLARU-UHFFFAOYSA-N 411.468 4.640 5 40 HJBB O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccc(Cl)cc1[N+](=O)[O-] 5477740 OOOWBPBSHSSKCY-PKNBQFBNSA-N 404.813 4.513 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(Cc3csc4ccccc34)CC2)c2ncccc12 32908993 VTWNKJXRQSRYDZ-UHFFFAOYSA-N 404.495 4.680 5 40 HJBB O=[N+]([O-])c1ccc(N2CCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 59490029 CGUIKEPCARQAOY-NRFANRHFSA-N 401.894 4.770 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408624064 UCZYDHMARMNSMW-UHFFFAOYSA-N 419.824 4.989 5 40 HJBB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] 4149966 OGUZPMXAEPZNPF-GFCCVEGCSA-N 400.456 4.575 5 40 HJBB Cc1ccc(C(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc23)cc1 13511010 CICOMKPIRUTNOQ-UHFFFAOYSA-N 422.491 4.945 5 40 HJBB O=[N+]([O-])c1cc2c(c(CSc3nc(C(F)(F)F)nc4ccccc34)c1)OCOC2 22248558 VGOHNAXIPSQDCE-UHFFFAOYSA-N 423.372 4.716 5 40 HJBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222978660 UIFOFNFYKQGXDO-NHCUHLMSSA-N 421.526 4.553 5 40 HJBB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)o1 408631186 FTRDRBCSXGIBON-ZSOIEALJSA-N 421.818 4.671 5 40 HJBB C[N+]1(CC2CC(C[N+]3(C)CCCCC3)CC(C[N+]3(C)CCCCC3)C2)CCCCC1 606422213 IGLNQMSRAIXITG-UHFFFAOYSA-N 420.750 4.910 5 40 HJBB CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cc(C)cc(C)c1 2197281 PMPNXFKPNSJZJF-UHFFFAOYSA-N 401.510 4.587 5 40 HJBB Cc1c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] 12866922 IDDUFOJZISRPHS-UHFFFAOYSA-N 417.874 4.773 5 40 HJBB O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 84393501 PBKWUTLBCJRWMT-NVXWUHKLSA-N 400.793 4.933 5 40 HJBB COC(=O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 226768908 YSIKNRXNNJLXBH-UHFFFAOYSA-N 424.796 4.938 5 40 HJBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 409197605 KBUKQUANMCAGTQ-VZCXRCSSSA-N 401.875 4.673 5 40 HJBB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1[N+](=O)[O-] 4079081 YFGWJJCTJNCLRD-UHFFFAOYSA-N 409.254 4.981 5 40 HJBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 4350403 VPKZZSFJSAQQRN-MPDMTVCLSA-N 407.319 4.908 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C)CC3 5508714 PRDZMCHCLZXAGL-LBPRGKRZSA-N 400.456 4.575 5 40 HJBB Cc1cccc(-c2noc(CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C(C)C)n2)c1 7721352 OQTSHIHWBROZQP-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3C)o2)cc1C 33859502 KMMUEJPYRBPJGL-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38853894 RYATWDPOOZVWII-CYBMUJFWSA-N 408.285 4.752 5 40 HJBB O=[N+]([O-])c1cccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)c1 5763183 FYYRYQFAXPLEKI-KRWDZBQOSA-N 402.476 4.816 5 40 HJBB COc1ccc2c(=O)c3c(nc(-c4ccccc4OC)n4c5ccccc5nc34)oc2c1 9002142 WQVBARNDLXWKEI-UHFFFAOYSA-N 423.428 4.826 5 40 HJBB Cc1nn(Cc2ccc(C(=O)Oc3cccc4ccccc34)cc2)c(C)c1[N+](=O)[O-] 32738569 DYBODTCYOJMCQB-UHFFFAOYSA-N 401.422 4.829 5 40 HJBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccccc1 5021718 LBVVAFLSCARUTC-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 5513784 MFXAUNGWPDPAMP-NRFANRHFSA-N 406.373 4.998 5 40 HJBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1 13602430 VLYGLSUXDNYCET-UHFFFAOYSA-N 418.365 4.872 5 40 HJBB Cc1noc(/C=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1[N+](=O)[O-] 408541898 GKZYNKJFLOOBHT-YWEYNIOJSA-N 412.314 4.670 5 40 HJBB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-] 408996099 KXTACCABWGQOOH-COPCDDAFSA-N 416.433 4.773 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 409205171 ODTIXDILQNAQAJ-GZTJUZNOSA-N 423.812 4.601 5 40 HJBB CSc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 7781378 TZWXQUPLRVAXFZ-FQEVSTJZSA-N 416.499 4.605 5 40 HJBB CCC(=O)Oc1cn(CCCOC(C)C)c2nc(CC)n3c4ccccc4nc3c12 13237943 XCYFMSDHDULKGU-UHFFFAOYSA-N 408.502 4.530 5 40 HJBB O=[N+]([O-])c1cccc(F)c1CN1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 72308284 UCPWQSUMUREMDJ-UHFFFAOYSA-N 416.403 4.782 5 40 HJBB Cc1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 409202955 VQBVCAVRENVHSZ-XDHOZWIPSA-N 417.421 4.565 5 40 HJBB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409229607 RTJKLFYLJIXWAY-MHWRWJLKSA-N 422.846 4.581 5 40 HJBB Cc1c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] 11227609 SBDXEXMPRJAHPF-UHFFFAOYSA-N 405.414 4.741 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 13146651 XLUWPBDJPCVERE-XLAORIBOSA-N 424.284 4.696 5 40 HJBB aggregator COc1ccc(-c2ccc(C(=O)n3c(C)c(C=O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767767 LUDKSAQYMXHDFC-UHFFFAOYSA-N 404.378 4.628 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1F 5156470 JMKJYNSTCBKMFN-ZDUSSCGKSA-N 401.445 4.702 5 40 HJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)cc1[N+](=O)[O-] 408998988 JRYSZGDTLOMUKZ-YSZBQJHXSA-N 416.433 4.773 5 40 HJBB O=[N+]([O-])c1c(O)nc(/C=C/c2ccc(OCc3ccc4ccccc4c3)cc2)nc1O 409347813 MXRBTFIFWROBGO-XYOKQWHBSA-N 415.405 4.699 5 40 HJBB COc1ccc(/C=C2/SC(=S)N=C2O)cc1OCc1ccccc1[N+](=O)[O-] 993778 XZBWWVIZGOMHTD-CXUHLZMHSA-N 402.453 4.512 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 997933 BRMIZLKREANCPL-JTQLQIEISA-N 422.890 4.864 5 40 HJBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)Nc2cc(C)on2)ncnc13 1327858 ZUTGONPTQFFFMR-UHFFFAOYSA-N 421.507 4.728 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1C 12867752 IMESGMUCONMLFR-UHFFFAOYSA-N 405.857 4.607 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 5143248 KXXBEJDGINBTMZ-QGZVFWFLSA-N 420.465 4.696 5 40 HJBB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 30652013 RDBVLBKJHKBAAN-XTQSDGFTSA-N 403.463 4.709 5 40 HJBB COC(=O)c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907510 PRQDUHHCPBWMEX-HMMYKYKNSA-N 402.406 4.561 5 40 HJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2408958 RILOJFCDWBZWPI-AWEZNQCLSA-N 417.900 4.967 5 40 HJBB O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 4699387 YTBJQKIBAHQWRB-GZTJUZNOSA-N 409.785 4.606 5 40 HJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1OC 12776714 ZQDNVONSEHINQQ-UHFFFAOYSA-N 404.422 4.826 5 40 HJBB COc1ccc(OCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2OC)cc1 224271410 SHACZBHVEATRON-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB CC(=O)Nc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409183854 UFBRDXLSPNVKJH-UHFFFAOYSA-N 406.394 4.703 5 40 HJBB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2090322 CNKURWZVRUAJTO-UHFFFAOYSA-N 404.791 4.532 5 40 HJBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9252462 AMXFDTYPAXEHSA-UHFFFAOYSA-N 413.655 4.807 5 40 HJBB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])oc2c1ccc1ccccc12 12542184 JWXMLYOMVVWXIU-CQSZACIVSA-N 418.405 4.987 5 40 HJBB COc1cccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)c1 12980272 AUFCVHTYFUSNJV-UHFFFAOYSA-N 403.847 4.556 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 13946213 XIAODBRJVHMNRS-ZRDIBKRKSA-N 407.451 4.690 5 40 HJBB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 95457277 SXEBYZXOPSUIFJ-KUHUBIRLSA-N 412.445 4.793 5 40 HJBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@](F)(c2ccccc2F)C1 549525371 VZAQZNWBZRTUQB-DEOSSOPVSA-N 404.416 4.531 5 40 HJBB Cc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 1514403 AFYMRWWKNOCRMD-UHFFFAOYSA-N 403.154 4.937 5 40 HJBB O=[N+]([O-])c1cc(-c2ccc(Br)cc2[N+](=O)[O-])ccc1Br 4644734 IQMKMQWWDTVUCA-UHFFFAOYSA-N 401.998 4.695 5 40 HJBB CCOC(=O)c1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 4867605 YFGWRUBKLGNWGS-UHFFFAOYSA-N 405.501 4.521 5 40 HJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5[N+](=O)[O-])nc34)c12 13644112 VEESCOHRXSJACZ-UHFFFAOYSA-N 412.381 4.708 5 40 HJBB CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 72307333 HXPCBXFKQWYVFP-GOSISDBHSA-N 406.504 4.596 5 40 HJBB CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 2062822 KTOIZYSJRCTEMM-OAHLLOKOSA-N 424.453 4.911 5 40 HJBB CC(C)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 4179355 QHCGOWFXSZMJCH-UHFFFAOYSA-N 414.417 4.750 5 40 HJBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1Cl 9226435 SSRDDMWLBMTKJT-UHFFFAOYSA-N 407.813 4.986 5 40 HJBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1O 409214662 ZIMSZWMPYQGNJO-VIZOYTHASA-N 420.830 4.593 5 40 HJBB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1C(C)(C)C 5480842 LQYVVBNBZGUZJZ-LJQANCHMSA-N 400.866 4.770 5 40 HJBB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 6549303 LNRIEFXMODGCTB-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1C1CC1 6945065 YIICXALISWFQQI-UHFFFAOYSA-N 408.410 4.648 5 40 HJBB Cc1ccc2c(c1)s/c(=N/C(=O)c1cc3c(ccc4ccccc43)oc1=O)n2C 100843444 KITHXZDWGQVUKZ-WCWDXBQESA-N 400.459 4.549 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222856634 LWGYRNGQYHWEJA-VQTJNVASSA-N 408.483 4.631 5 40 HJBB COc1ccc2c(c1)-c1c(ccc(OC)c1O)C[C@H](c1ccccc1)[N+](C)(C)CC2 1669145 RWFJZJRUTDAGGN-HSZRJFAPSA-O 404.530 4.993 5 40 HJBB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1Cl 3242994 IRPXJHRWVRJBHZ-UHFFFAOYSA-N 417.632 4.659 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccccc2F)o1 9866948 IJURBQUJBQJXCM-UHFFFAOYSA-N 417.824 4.634 5 40 HJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 32118936 ICULNVZCJJPBTI-UHFFFAOYSA-N 414.512 4.674 5 40 HJBB COc1c(Cl)cc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 8469565 BBLIYEPFMVEWJE-UHFFFAOYSA-N 404.681 4.765 5 40 HJBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 31464660 USGCVDFEWPIJAA-UHFFFAOYSA-N 421.453 4.654 5 40 HJBB Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(F)cc1 409201149 VWSMCDKAECFWAR-UZYVYHOESA-N 405.838 4.504 5 40 HJBB CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)s1 3433308 KRXCRGIDGCDNTQ-UHFFFAOYSA-N 400.485 4.721 5 40 HJBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 17960083 WCNJXZKBPIQKMK-UHFFFAOYSA-N 422.510 4.799 5 40 HJBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 19927703 YUVRZCPUJUEBGL-UHFFFAOYSA-N 419.304 4.928 5 40 HJBB COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2)c1 4551170 VQVLXVQMQKSZDH-BZZOAKBMSA-N 415.405 4.834 5 40 HJBB Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 12982876 XRNPAJQBZCXEDP-UHFFFAOYSA-N 401.875 4.653 5 40 HJBB O=[N+]([O-])c1cc2c(c(CN3CCCC[C@@H]3c3nc4ccccc4s3)c1)OCOC2 16694616 HFOFURCHWPLQCQ-GOSISDBHSA-N 411.483 4.798 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1Br 3530477 VGDCOIZAFNYGJK-UHFFFAOYSA-N 424.301 4.698 5 40 HJBB CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 6083656 BXMFFAVQZMGRSE-UHFFFAOYSA-N 405.823 4.586 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 9539507 GJISTLOLVSIBJW-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236966 SLURTLKCVBJCND-UHFFFAOYSA-N 419.359 4.509 5 40 HJBB CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 2085399 RXUMCJBOZFASNH-LBPRGKRZSA-N 416.499 4.909 5 40 HJBB O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 6444549 DVCJERCOQMMOQB-AWEZNQCLSA-N 423.083 4.786 5 40 HJBB O=C(Nc1ccc2oc(=O)ccc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 8072136 KMAZIYACTYJBAQ-UHFFFAOYSA-N 400.799 4.822 5 40 HJBB COc1cccc(NC(=S)/C(=C(\O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2)c1 13123217 KWYHXGUJQAMHJW-UHFFFAOYSA-O 422.486 4.523 5 40 HJBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 16185293 GHCDCCYBDFVYJP-UHFFFAOYSA-N 421.844 4.797 5 40 HJBB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c2ccccc12 226767248 SRVHIZRVZDAHAV-UHFFFAOYSA-N 404.378 4.593 5 40 HJBB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 409235527 BUDAIGMAJSIXQB-NDENLUEZSA-N 417.421 4.565 5 40 HJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 72232853 YEYPKNMXPKXJLS-UHFFFAOYSA-N 418.497 4.511 5 40 HJBB CCCSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408751073 WCJMEDBNAMFSFP-UHFFFAOYSA-N 417.468 4.657 5 40 HJBB CCCCN1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 408995261 LOAYAWSYAJAVKW-UHFFFAOYSA-N 418.405 4.509 5 40 HJBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)nc1 224000567 UREBYTDZRGEWGF-UHFFFAOYSA-N 404.923 4.832 5 40 HJBB CCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409075523 WPOLQSSKLYGPNO-YBFXNURJSA-N 407.451 4.654 5 40 HJBB O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OCc2ccccc2)cc1 976004 CBYFVYZKWSCPRC-QFIPXVFZSA-N 406.463 4.952 5 40 HJBB Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)C(=O)c4ccccc43)c12 9488131 IHJVZLDZYASDCV-UHFFFAOYSA-N 420.472 4.666 5 40 HJBB CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15670859 FNCOMGZKSPISGR-DEOSSOPVSA-N 415.449 4.703 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1)Cc1ccco1 30222372 SRBWGZZIODRFLY-UHFFFAOYSA-N 422.484 4.977 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 2750135 LEACOGVTJSDXNA-UHFFFAOYSA-N 402.472 4.743 5 40 HJBB COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1O[C@@H](C)C(=O)O 4507768 KECNSUZBDCJCNS-ZDUSSCGKSA-N 417.417 4.614 5 40 HJBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccccc2O)c(C)c1 408607497 SQKPESIIRRHBSA-UHFFFAOYSA-N 419.466 4.711 5 40 HJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 7780469 ZJFKTJCZBJGALS-HNNXBMFYSA-N 410.417 4.900 5 40 HJBB O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 84393490 PBKWUTLBCJRWMT-RDJZCZTQSA-N 400.793 4.933 5 40 HJBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccccc1 409206648 ZIJOWJUDDCUIII-VZCXRCSSSA-N 401.875 4.619 5 40 HJBB Cc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c(C)c1 1452527 BUOLXFVFRAFHQC-INIZCTEOSA-N 416.692 4.750 5 40 HJBB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5660146 HNXOYWAPYKCUOQ-UHFFFAOYSA-N 409.467 4.676 5 40 HJBB Cc1nnc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)o1 408632088 PYTPTNVQGOJNKU-MHWRWJLKSA-N 415.452 4.655 5 40 HJBB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1[N+](=O)[O-] 2092996 DVXLMPURAPHVIB-GFCCVEGCSA-N 416.499 4.907 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)o1 20151047 NCFAUNAUPSPQDA-VMPITWQZSA-N 422.393 4.527 5 40 HJBB O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(Cc2cccc(F)c2)CC1 97238078 YKCSXYAZYHFETI-UHFFFAOYSA-N 421.266 4.591 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222856308 QTDOQBFYQJRKRX-UXHICEINSA-N 408.483 4.631 5 40 HJBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408561714 KKUFWOKAXXDJIR-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 4959803 YNTZWBLWAATYSU-UHFFFAOYSA-N 408.439 4.509 5 40 HJBB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 9508358 DFZHVESBDQFBGZ-CQSZACIVSA-N 423.856 4.992 5 40 HJBB COc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 35018431 RRHTYIOFFLCGEI-UHFFFAOYSA-N 416.069 4.741 5 40 HJBB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 44880570 CDQZOUVAPWTJMF-HXUWFJFHSA-N 402.516 4.740 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223080298 AEKYWZRQQTYSMP-UHFFFAOYSA-N 419.412 4.579 5 40 HJBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9829679 YPJXGFIOESRDSN-UHFFFAOYSA-N 414.443 4.647 5 40 HJBB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 32902678 BQEZERGDMZRWQT-DEOSSOPVSA-N 413.521 4.637 5 40 HJBB CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408565534 CEPZNIKKTLJEIH-GOSISDBHSA-N 402.907 4.902 5 40 HJBB CCO[P@](=O)(SCC)SCc1nc(COc2ccc([N+](=O)[O-])cc2)no1 2154310 NDIOUFDTZFIGKD-XMMPIXPASA-N 419.421 4.688 5 40 HJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2406693 NILKIPKPBUSADO-OAHLLOKOSA-N 413.481 4.653 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 5064948 DRFGVNLFRYVGES-UHFFFAOYSA-N 417.900 4.652 5 40 HJBB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 9466030 AETVRBJWWHJQCP-SNVBAGLBSA-N 422.388 4.676 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1C 12747797 AUECGRBUCPXYJF-HSZRJFAPSA-N 421.522 4.859 5 40 HJBB O=C(c1ccc(Br)s1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 32915665 JTKSPGVWZVWJTQ-UHFFFAOYSA-N 423.210 4.624 5 40 HJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cccc(F)c1 2431299 SICBXYARGMQVCG-UHFFFAOYSA-N 415.472 4.777 5 40 HJBB COc1ccc(CCC(=O)Nc2cc(Sc3ccccn3)cc([N+](=O)[O-])c2)cc1 12950047 LMXGVSMOYZGYMR-UHFFFAOYSA-N 409.467 4.721 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 5900093 UCVWMJRIYKXHBM-DHZHZOJOSA-N 415.474 4.692 5 40 HJBB Cc1ccc(C)c(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 223979894 CPVQYBPFOOWZCA-HAVVHWLPSA-N 416.477 4.947 5 40 HJBB Cc1cc2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)nc2cc1Cl 16284319 OOWGOQBFUBSHBA-UHFFFAOYSA-N 420.903 4.602 5 40 HJBB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 32396807 MACBMVQRKYKERZ-NRFANRHFSA-N 413.543 4.920 5 40 HJBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccco1 2313937 JUDJCFOFTWEKGR-UHFFFAOYSA-N 413.481 4.749 5 40 HJBB O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O)c1ccc2c(c1)CCC2 12601127 GDGLNGIDGNOTEY-UHFFFAOYSA-N 408.435 4.763 5 40 HJBB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1cc(F)ccc1[N+](=O)[O-] 12994633 ATADCBFVGSENDR-UHFFFAOYSA-N 418.808 4.685 5 40 HJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 57313653 KDYBFVPBVXJJLG-DHZHZOJOSA-N 411.414 4.520 5 40 HJBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2Cc1ccccc1 2251323 VBIBAHMULJUEIT-UHFFFAOYSA-N 409.493 4.766 5 40 HJBB O=[N+]([O-])c1ccc(Oc2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)cc1 2725999 HCSALWXVFVGAPS-UHFFFAOYSA-N 410.499 4.866 5 40 HJBB COc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1[N+](=O)[O-] 7594932 QQLWSCUHLVVAHT-UHFFFAOYSA-N 402.410 4.503 5 40 HJBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 9829721 JPMHDWPSGBLAAX-UHFFFAOYSA-N 414.830 4.693 5 40 HJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 13389634 BYEVKGGLFFNGRC-UHFFFAOYSA-N 421.254 4.791 5 40 HJBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142796 ASYJVFKCSGAPLZ-UHFFFAOYSA-N 421.453 4.590 5 40 HJBB O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccccc3Br)o2)c1 40127364 YSFURIRMPKQREX-UHFFFAOYSA-N 422.260 4.578 5 40 HJBB CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087604 LCRXXUBCBHVMGV-UHFFFAOYSA-N 417.874 4.756 5 40 HJBB CCCOc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 108223695 OWMCYKHPKPJQBA-UHFFFAOYSA-N 423.263 4.797 5 40 HJBB Cc1cc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)cc1Br 2648545 XWNSBBQPYOCXFK-UHFFFAOYSA-N 413.268 4.844 5 40 HJBB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5569143 ZPCCUENRPYIITN-UHFFFAOYSA-N 401.831 4.635 5 40 HJBB COc1ccc(-c2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C)cc1 9121396 OZZMAHBIVPGRFP-UHFFFAOYSA-N 424.482 4.862 5 40 HJBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(Cc1cccc(Br)c1)C1CC1 58356066 QYIXZLYKLQUEAX-UHFFFAOYSA-N 414.259 4.643 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409128925 LIBJGFZSOGDCRO-CPNJWEJPSA-N 419.393 4.691 5 40 HJBB CC[C@H]1c2ccsc2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 503147903 RYYFFZMDTPQRCX-IBGZPJMESA-N 402.519 4.752 5 40 HJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2411390 UIYNSNZTJKAXLB-AWEZNQCLSA-N 417.900 4.967 5 40 HJBB Cc1ccc(C)c(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)c1 408533313 OKOGDNMSHDHJLM-UHFFFAOYSA-N 415.449 4.766 5 40 HJBB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408562220 OEBJVYCETVUIPX-QOCHGBHMSA-N 419.865 4.987 5 40 HJBB CCCc1ccc(-c2c/c(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1 408730588 IIFOTSZJVQLGQG-VHEBQXMUSA-N 420.537 4.627 5 40 HJBB Cc1[nH]c2ccccc2c1SCCNc1ncc([N+](=O)[O-])cc1Br 1559304853 LJCSTNJLWNLODO-UHFFFAOYSA-N 407.293 4.746 5 40 HJBB CC[N+](C)(CC)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6424768 COMNPYOVZNRIJP-CLDWNKDHSA-N 417.658 4.583 5 40 HJBB COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1Nc1ccc(Br)cc1Cl 96179492 NEODSKGOLLVEHE-UHFFFAOYSA-N 421.581 4.819 5 40 HJBB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225083805 BEBICJAPOBLGFU-UHFFFAOYSA-N 422.812 4.791 5 40 HJBB O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1 20864532 GBZAHZHORSQYNU-UHFFFAOYSA-N 410.611 4.640 5 40 HJBB C[C@@H]1CCC[C@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398759 XRZJMGCZMKEROC-GGUMNFRJSA-N 413.521 4.757 5 40 HJBB O=C(N[C@H](CO)c1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 95456343 FNWSJZZCVFLEDK-GOSISDBHSA-N 412.829 4.504 5 40 HJBB COc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 8586889 ZJAPPUUQUNCFIE-UHFFFAOYSA-N 416.437 4.975 5 40 HJBB Cc1ccc2nc(NC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 12541641 ACSUGTVPRSDKOT-JTQLQIEISA-N 424.404 4.971 5 40 HJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20145082 QCBXWMYTQYDJCK-DUXPYHPUSA-N 415.616 4.905 5 40 HJBB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 65322213 BRJGTWHQUZWMOH-UHFFFAOYSA-N 421.501 4.593 5 40 HJBB Cc1cc(C)cc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 224055613 GZLNVJXKUVVZPW-JJIBRWJFSA-N 416.477 4.947 5 40 HJBB Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cccc1[N+](=O)[O-] 225580654 CCORLTBQQHNHID-UHFFFAOYSA-N 405.857 4.546 5 40 HJBB CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1[N+](=O)[O-] 58151235 KZEOAZOOCYWPDJ-UHFFFAOYSA-N 410.449 4.609 5 40 HJBB Cc1ccc2cc3c(N)c(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)sc3nc2c1 906836 WENXQFJVHLCFFN-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB CC(C)CCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)cnc21 2363221 CUQWRBSOBHNGLB-UHFFFAOYSA-N 411.509 4.583 5 40 HJBB CC(=O)Nc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 5348863 IASMTOKGMAKMFC-UHFFFAOYSA-N 400.434 4.570 5 40 HJBB O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)Nc1cccc(C(F)(F)F)c1 408527807 CQMUSFRBMYBECO-BQYQJAHWSA-N 414.343 4.723 5 40 HJBB COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408921669 CBOXUGXLUDFQBB-KGENOOAVSA-N 416.433 4.869 5 40 HJBB CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24522564 IZUCGDDHQMDCNZ-LEWJYISDSA-N 410.470 4.646 5 40 HJBB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc([N+](=O)[O-])cc1 59409235 DETAHWRXHCODLP-QFIPXVFZSA-N 421.478 4.879 5 40 HJBB COC(=O)c1ccccc1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401445 UDMUEKNKVQJSEG-UHFFFAOYSA-N 416.386 4.627 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4cccs4)cs3)CC2)c(Cl)c1 8782369 AFNONJOYMBJTLA-UHFFFAOYSA-N 406.920 4.760 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222856227 QTDOQBFYQJRKRX-PMACEKPBSA-N 408.483 4.631 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(C4CCCCC4)nc3oc2c1 2237106 AFOGRLRMONQURX-UHFFFAOYSA-N 402.450 4.548 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 17090422 ZKMURBMSQVIFRX-UHFFFAOYSA-N 415.858 4.537 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17092685 SNZNVWOOTOPREC-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 101362218 JHJXFHBLWHLYEA-UHFFFAOYSA-N 404.353 4.760 5 40 HJBB Cc1noc(/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1[N+](=O)[O-] 108279277 RMYTYCAIKZRYCK-DAXSKMNVSA-N 420.175 4.992 5 40 HJBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 408604718 DWINOFYENGNETE-UHFFFAOYSA-N 421.453 4.623 5 40 HJBB O=[N+]([O-])c1ccc(Oc2c(F)c(F)c(I)c(F)c2F)cc1 3847610 OSWDIPMZGXBMDL-UHFFFAOYSA-N 413.064 4.548 5 40 HJBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 4663333 SFOQZXDBGHUJGL-XVNBXDOJSA-N 410.282 4.736 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9413989 JXXBPZDOIPQWBH-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] 25049149 DEYHWHWJGNULPQ-UHFFFAOYSA-N 416.412 4.768 5 40 HJBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 214205499 FVLMFBWCMYXMOU-DEDYPNTBSA-N 419.462 4.681 5 40 HJBB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248248386 NRBHIPHDBAYPRG-PKTBXOATSA-N 408.454 4.687 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C 4127999 UCVNFAQUZQPDGG-UHFFFAOYSA-N 411.483 4.808 5 40 HJBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 17147782 HQQAEIITSROWTQ-UHFFFAOYSA-N 424.269 4.988 5 40 HJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(=O)O)c3C)o2)c([N+](=O)[O-])c1 20151001 DSFBMYALUBGVLR-DHZHZOJOSA-N 406.394 4.822 5 40 HJBB O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccc(Br)c3)o2)c1 40127664 OOZVXOVAUJOWCW-UHFFFAOYSA-N 422.260 4.578 5 40 HJBB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)n3c4ccccc4nc3c2c1=O 5209053 ZRWBYAJKPVXCJJ-UHFFFAOYSA-N 409.474 4.619 5 40 HJBB O=c1c([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2n1-c1ccccc1 4114606 COBMWRWQDDPNNW-UHFFFAOYSA-N 403.350 4.599 5 40 HJBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(F)cc2)n31 9307348 ZPPDQGMHLFWEFV-LLVKDONJSA-N 424.530 4.543 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 17092829 HOPCRKFRFZKOEE-UHFFFAOYSA-N 421.906 4.718 5 40 HJBB COc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 33337951 KNFUBLXCBVXNES-NDENLUEZSA-N 420.446 4.993 5 40 HJBB O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 43333970 VZJAPOBZNOOIGI-UHFFFAOYSA-N 416.481 4.540 5 40 HJBB CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 500097934 JZSLWLQJCHXCAB-UHFFFAOYSA-N 424.887 4.631 5 40 HJBB Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 1150807 CMOMFNSLPAAPKR-IZZDOVSWSA-N 407.451 4.869 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(C4CCCCC4)nc3oc2c1 2241073 XFKOXRQFLZAPOJ-UHFFFAOYSA-N 416.477 4.608 5 40 HJBB CCCCn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cccc(Cl)c3cc-2c1=O 2263181 MDDOPHZMOHTSOL-UHFFFAOYSA-N 414.292 4.759 5 40 HJBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 6520603 YXVQMYVEHIEFAW-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222946489 JHUCRRAJCDTGSL-NHCUHLMSSA-N 422.510 4.878 5 40 HJBB O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 3309739 SKDRHKWUOYYBEX-LBPRGKRZSA-N 422.919 4.898 5 40 HJBB Cn1c(SCc2cccc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc2c1=O 3447712 RTRZOJZIEQJJPV-UHFFFAOYSA-N 409.492 4.863 5 40 HJBB COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1O[C@H](C)C(=O)O 4507771 KECNSUZBDCJCNS-CYBMUJFWSA-N 417.417 4.614 5 40 HJBB O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Br 6615680 KZJOHVVTZLDOOG-UHFFFAOYSA-N 404.264 4.600 5 40 HJBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 20141101 MMGRBJRGIKQLPU-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409089475 INXXFGMQRNQNJI-AQTBWJFISA-N 411.483 4.587 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 521636067 BUBKRCFOAUKLAC-QGZVFWFLSA-N 413.232 4.563 5 40 HJBB O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3118672 GOZVLRUESXBNRV-AWEZNQCLSA-N 423.083 4.786 5 40 HJBB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([N+](=O)[O-])cc1Cl 12782796 UINMWYGNUJOGTI-UHFFFAOYSA-N 401.831 4.559 5 40 HJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 6083488 AJTNUMPYNLLMFC-LLVKDONJSA-N 415.799 4.726 5 40 HJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 32118909 OFXWWHWDQGCBGH-UHFFFAOYSA-N 414.512 4.674 5 40 HJBB Cc1nn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(C)c1[N+](=O)[O-] 7061995 IRFXFOQSWPARBG-UHFFFAOYSA-N 414.874 4.891 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222945768 VTYINDWPSOZUME-RTWAWAEBSA-N 422.510 4.878 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 687068 KPHKBUVETNFIHG-GFCCVEGCSA-N 402.472 4.599 5 40 HJBB CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 2300647 ICAMZMGPBZILLD-LJQANCHMSA-N 401.260 4.887 5 40 HJBB COCCn1c(-c2ccc(C(C)(C)C)cc2)nc2sc3ccccc3c(=O)c2c1=O 2330460 YTJBJAARHMRDPN-UHFFFAOYSA-N 420.534 4.582 5 40 HJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(Nc4ccccc4)s3)o2)cc1 9284445 AWRFXHRVXWAGIA-UHFFFAOYSA-N 412.456 4.532 5 40 HJBB Cc1c(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cccc1[N+](=O)[O-] 10254604 ASYMFSMMVYKLKP-UHFFFAOYSA-N 401.850 4.809 5 40 HJBB COc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2ccccc2c1Br 17091746 YAOPDMNIOYDZSM-UHFFFAOYSA-N 419.206 4.911 5 40 HJBB C[C@@H]1[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889607 CYXGNZIVJAFZBP-ZSSDLHNXSA-N 423.416 4.794 5 40 HJBB Cc1cc(C)cc(-n2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2339776 NADLZISQWVZBQS-UHFFFAOYSA-N 407.473 4.521 5 40 HJBB CC(C)C(=O)OCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2445987 AKBUTLVXVCNMID-DEOSSOPVSA-N 422.481 4.694 5 40 HJBB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 8685266 SMVWOJJNEORHHV-IBGZPJMESA-N 420.856 4.838 5 40 HJBB Cc1ccc2nc(CSc3nc4ccccc4c4nc5ccccc5n34)cc(=O)n2c1 8760687 NGYLDPPWFBNTFD-UHFFFAOYSA-N 423.501 4.644 5 40 HJBB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccccc1[N+](=O)[O-] 12977315 GEASOKNPLRTTAJ-UHFFFAOYSA-N 400.818 4.546 5 40 HJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 16281881 CTCHVMMLUJLZRI-UHFFFAOYSA-N 407.430 4.669 5 40 HJBB COc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 2771238 QCIQVBRQGFSEJW-UHFFFAOYSA-N 419.153 4.637 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] 36082455 UPLODQWJFKBBKR-TVFCKZIOSA-N 424.284 4.696 5 40 HJBB O=C(Nc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1)[C@H]1CCCO1 95997106 IVIGYCXIIFMGGX-MRXNPFEDSA-N 410.257 4.631 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 840352 KBYPLXYEYWOXAM-UHFFFAOYSA-N 408.863 4.618 5 40 HJBB CCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 5865556 VELCSWZLRKAYGY-UHFFFAOYSA-N 414.458 4.576 5 40 HJBB COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 17093530 IJLFVKNVPWPFGJ-JXMROGBWSA-N 423.450 4.569 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCSc2ccc(Cl)cc21 58714758 VEQWJENILSYUGY-UHFFFAOYSA-N 420.921 4.947 5 40 HJBB COc1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)c([N+](=O)[O-])c1 64896877 AYOJULGYLPVFMQ-UHFFFAOYSA-N 403.847 4.941 5 40 HJBB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 65322216 MBNDKKJCPUQPJC-UHFFFAOYSA-N 421.501 4.593 5 40 HJBB CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225565107 XBYFRRDAICARDP-UHFFFAOYSA-N 412.486 4.687 5 40 HJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1cccs1 4301850 SMYUZCFJQXXDNO-UHFFFAOYSA-N 417.538 4.985 5 40 HJBB Cc1c(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cccc1[N+](=O)[O-] 15661272 LSONKWLPLUMGRA-UHFFFAOYSA-N 423.494 4.721 5 40 HJBB COc1ccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1OC 54278226 FWZVGVUFRMRULZ-UHFFFAOYSA-N 417.461 4.624 5 40 HJBB biogenic CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 409097832 HNLRXGKUUMEAFG-YVLHZVERSA-N 418.858 4.883 5 40 HJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 33794153 CDCGUHWJURJMGN-CLFYSBASSA-N 411.370 4.557 5 40 HJBB COc1ccc(NS(=O)(=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)cc1 89453625 NDPRUHXLYZYQFG-UHFFFAOYSA-N 419.503 4.539 5 40 HJBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)c1cccc([N+](=O)[O-])c1 107965494 XPTPXIITMGFCDD-UHFFFAOYSA-N 409.254 4.662 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccccc2C)cc1 7597628 HOCBLMHURITCPF-UHFFFAOYSA-N 420.465 4.616 5 40 HJBB O=c1c2ccccc2nc(-c2ccccc2Br)n1-c1cccc([N+](=O)[O-])c1 13551741 SNDRKNYQFMNITI-UHFFFAOYSA-N 422.238 4.723 5 40 HJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13758203 SOPGDRKYGQBYCO-AUSIDOKSSA-N 415.405 4.566 5 40 HJBB COc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)c1 101192174 YZFSJUOCQQZORE-UHFFFAOYSA-N 416.389 4.629 5 40 HJBB COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 12993334 KMCVFBHWBXOXNR-SFHVURJKSA-N 400.481 4.514 5 40 HJBB COc1c(C)cc(Br)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 17092882 FKQZGDHLZBSASM-UHFFFAOYSA-N 422.260 4.536 5 40 HJBB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)OC)C1 17093324 MVYIPDKFCZVYMS-JTQLQIEISA-N 422.890 4.864 5 40 HJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2c1 9428672 BMDPCXMNGLRZJO-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16383994 TVJIHVYVFOUQSA-UHFFFAOYSA-N 414.676 4.517 5 40 HJBB COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-] 17090421 AMIKOIDPXKNBMU-UHFFFAOYSA-N 415.858 4.537 5 40 HJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109871 OQJHGVAEEGQRFE-UHFFFAOYSA-N 423.391 4.621 5 40 HJBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 4350404 VPKZZSFJSAQQRN-NLUKRNMASA-N 407.319 4.908 5 40 HJBB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4598838 OBKZBULDYXPUGV-UHFFFAOYSA-N 404.338 4.564 5 40 HJBB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 14002855 GGEZKRHKFIKJRT-UHFFFAOYSA-N 401.850 4.517 5 40 HJBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCCCC2)s1 16722546 WZJDCZNHQZMUBK-UHFFFAOYSA-N 403.508 4.593 5 40 HJBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OC 408564891 ARFCHBQTHSPGEI-HNNXBMFYSA-N 419.275 4.746 5 40 HJBB COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] 725643 UWLSAQNJIPBGPB-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 824711 CMAKZOWJWFCVHV-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB CC(C)(C)c1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4688179 YEAZDWNYDHHANR-UHFFFAOYSA-N 409.408 4.753 5 40 HJBB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1C 4868538 BQAWFVGZMQQIHU-UHFFFAOYSA-N 415.500 4.538 5 40 HJBB Cc1cccc2sc(N(CCCN(C)C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc12 10067842 RHFQGHWECJQFII-RAXLEYEMSA-N 424.526 4.511 5 40 HJBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 21580481 RBVKWWGAHACXNP-UHFFFAOYSA-N 402.410 4.707 5 40 HJBB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770867 MEWHQCPNMMOZBK-UHFFFAOYSA-N 412.467 4.911 5 40 HJBB CC(C)C(=O)OCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2445985 AKBUTLVXVCNMID-XMMPIXPASA-N 422.481 4.694 5 40 HJBB COc1ccc2c(C)cc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 3415111 RULDNXKPTFZHPG-UHFFFAOYSA-N 408.439 4.802 5 40 HJBB O=C(COc1ccc(Br)cc1)Nc1ccc2c(=O)c3ccccc3oc2c1 10233186 JGGYZEFWMPJYIC-UHFFFAOYSA-N 424.250 4.726 5 40 HJBB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 69258875 WXLCBWCIWQIPSR-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB Cn1ncc2c(-c3ccc(OC(F)(F)F)cc3)c3oc4cc(O)cc(O)c4c3nc21 524734699 FDRSIXSNTYFOOC-UHFFFAOYSA-N 415.327 4.845 5 40 HJBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc([N+](=O)[O-])ccc1Cl 11523992 YZDMXUYFHDQJAM-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142977 AEHZHQGVFJCFKF-UHFFFAOYSA-N 421.453 4.508 5 40 HJBB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)c1 36618488 RQCRTFGBJXLCRY-UHFFFAOYSA-N 402.410 4.976 5 40 HJBB COc1ccc(CCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408907459 ONVGYECEOYLORW-HAVVHWLPSA-N 402.450 4.503 5 40 HJBB Cc1ccc2nc(NC(=O)[C@H]3CCCN3Sc3ccccc3[N+](=O)[O-])sc2c1 1445597 AEGBJONAPLVDKL-OAHLLOKOSA-N 414.512 4.623 5 40 HJBB Cc1cc(C)cc(-n2c(-c3ccccc3C)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2201082 VSJGHYPKTXOBHJ-UHFFFAOYSA-N 421.500 4.830 5 40 HJBB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3261715 RNSVJJFWSNAOLX-UHFFFAOYSA-N 418.430 4.911 5 40 HJBB C[C@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2S1 12869518 RHNNJYQXJSRIBZ-NSHDSACASA-N 407.289 4.888 5 40 HJBB COc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)c1 72229566 FKYNNGDLAIERNL-ZDUSSCGKSA-N 403.866 4.888 5 40 HJBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NCCc2ccccc2)cc1 4014468 MLPFVXAJLKMIJI-UHFFFAOYSA-N 420.425 4.718 5 40 HJBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1 5395379 WBMOMFSNSVJPNU-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1cc([N+](=O)[O-])ccc1Cl 219465050 RODIGAGHELSQFY-UHFFFAOYSA-N 409.829 4.781 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 2427403 VHZCHZXZARGFMC-INIZCTEOSA-N 411.509 4.931 5 40 HJBB Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cccc1[N+](=O)[O-] 5532780 PAKNFWNLFXKJQQ-LBPRGKRZSA-N 416.499 4.907 5 40 HJBB COc1c(O)ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] 15016222 UHSZQIAOIGVZGC-QVKFZJNVSA-N 423.450 4.613 5 40 HJBB CSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(O)CC(C)(C)CC1=N2 102674475 PNWLOOBZUMCBMF-OAHLLOKOSA-N 419.894 4.869 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)o1 409072550 CQCVUGOWMQWOCV-WQRHYEAKSA-N 423.812 4.914 5 40 HJBB O=C1c2ccccc2-c2ccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)cc21 1694593 LWXYCJWUHOEZOF-UHFFFAOYSA-N 401.421 4.716 5 40 HJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 40074144 AVDZQDDJECXFBC-UHFFFAOYSA-N 403.797 4.623 5 40 HJBB C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6840913 VXUPUKNXWNSMJJ-JTQLQIEISA-N 407.304 4.582 5 40 HJBB COc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1Cl 8871216 YPMYJEMNCLPDIK-UHFFFAOYSA-N 420.856 4.722 5 40 HJBB Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 13898101 QMSDVAMHZKAZPF-UHFFFAOYSA-N 418.365 4.872 5 40 HJBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2421776 ROKWELSIUIHMGK-UHFFFAOYSA-N 423.398 4.712 5 40 HJBB Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3359967 FFLULBWWFUUHKX-UHFFFAOYSA-N 408.785 4.685 5 40 HJBB COc1ccc(-c2cc(COC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)on2)cc1 12931077 WQTOLMHCVPKXCG-UHFFFAOYSA-N 420.377 4.875 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14413610 FBUNGCRSJFMCFV-DEDYPNTBSA-N 403.394 4.991 5 40 HJBB Cc1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1c(=O)oc1c(Cl)cc(Cl)cc12 20085956 VYGSVQSOXCIPHX-UHFFFAOYSA-N 412.232 4.589 5 40 HJBB O=C(N[C@H]1CCSc2c(F)cccc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 84383290 LPTFBMJCYZRRCX-HNNXBMFYSA-N 415.471 4.824 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC 16006502 KSDGWOBGYCPNPP-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2403127 RECLMOYRKLQRGK-INIZCTEOSA-N 411.509 4.817 5 40 HJBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCC3)cc2Br)c1 107709660 KQRAYIXWJQRQJW-UHFFFAOYSA-N 421.316 4.708 5 40 HJBB O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223424912 AKTDPLNEIZMLFR-CJLVFECKSA-N 422.868 4.984 5 40 HJBB CCCCCCn1c(-c2ccc(F)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2353419 HJWWMYAGOQBAPG-UHFFFAOYSA-N 422.456 4.898 5 40 HJBB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 8903189 WOMVKGGJLATNSV-UHFFFAOYSA-N 413.455 4.722 5 40 HJBB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226767432 NJFZAHLSROWQNP-UHFFFAOYSA-N 410.769 4.850 5 40 HJBB CCn1c2c(s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCc1ccccc1-2 408561981 MJFSKUHIOYVQNU-XDOYNYLZSA-N 413.886 4.638 5 40 HJBB C[C@H]1CCCN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)C1 35313200 GIGMIRPWSWBFCJ-ZDUSSCGKSA-N 408.552 4.743 5 40 HJBB COc1ccc2c(c1)CCc1sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc1-2 409051434 CNQKVHBEWCPRJI-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 518313471 DAGBKDSVHCUCTO-UHFFFAOYSA-N 418.409 4.604 5 40 HJBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1C 830199 WTJCWZGPMCGESC-UHFFFAOYSA-N 421.844 4.851 5 40 HJBB Cc1cc(C)c(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c(C)c1 4355828 WITYXABXQZLLGC-UHFFFAOYSA-N 408.483 4.708 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2c(Br)cccc12 4520409 CUJVCOWYBQJJJM-UHFFFAOYSA-N 401.216 4.771 5 40 HJBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 4555218 HRNDKIVQOUJNTC-MRXNPFEDSA-N 406.895 4.505 5 40 HJBB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] 9056484 ZJXJTNVHEWXPQB-NSHDSACASA-N 418.862 4.726 5 40 HJBB O=C(CSc1ccc2ccccc2n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9155328 IFZMZJPFZPDVTL-UHFFFAOYSA-N 422.491 4.997 5 40 HJBB Cc1nn(CC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)c(C)c1[N+](=O)[O-] 9616992 BIFJCJXBBMIVHJ-UHFFFAOYSA-N 407.474 4.593 5 40 HJBB C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398834 GYTRAJVVXCVVPT-MHECFPHRSA-N 413.521 4.705 5 40 HJBB COc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)c1 72229565 FKYNNGDLAIERNL-CYBMUJFWSA-N 403.866 4.888 5 40 HJBB COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 103768138 JOUKTIYGQYATRY-HXUWFJFHSA-N 401.422 4.687 5 40 HJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc12 215005034 UMJZNBHAFJTNKN-UDWIEESQSA-N 420.446 4.993 5 40 HJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(OC)c1 224590562 VVJPTOUQAYCVMI-UHFFFAOYSA-N 422.437 4.833 5 40 HJBB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5446055 GWTXJRANRFBMCI-UHFFFAOYSA-N 411.502 4.931 5 40 HJBB CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 36077484 XLUWPBDJPCVERE-BDXSIMOUSA-N 424.284 4.696 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36398703 ZKANSBSIKFIJPH-FQEVSTJZSA-N 413.524 4.612 5 40 HJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408569176 JBHCSFGPHKYLFM-INIZCTEOSA-N 409.298 4.993 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 11690492 WSLXIEKDCQBZHQ-FQEVSTJZSA-N 422.824 4.955 5 40 HJBB COc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1OC 6660797 IGGIXNZBAHDCDN-XYOKQWHBSA-N 401.418 4.615 5 40 HJBB CCOc1c(Cl)cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC 8253386 OKLYLGJDBMGGNU-UHFFFAOYSA-N 414.289 4.511 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(C)cc3Cl)nc12 10010673 GFCLPUZPSHTPOY-UHFFFAOYSA-N 421.862 4.501 5 40 HJBB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 71889361 RYZUCYJRVCXIII-FQEVSTJZSA-N 423.517 4.683 5 40 HJBB CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4735574 SZACMFSBLXVPSN-FQEVSTJZSA-N 406.442 4.577 5 40 HJBB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409241458 XPVYPDLGHIUGLK-YBEGLDIGSA-N 422.846 4.581 5 40 HJBB Cc1ccc(-c2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc3sc(=O)oc23)cc1 16742250 MGOFZHOXTHTQGX-UHFFFAOYSA-N 407.403 4.957 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 59500392 MAXUGBKMBSLEER-VUUXHMSQSA-N 424.456 4.556 5 40 HJBB biogenic CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 222709565 ZQBMZWGUQYZSOC-IPHXSNPTSA-N 419.510 4.760 5 40 HJBB CCOCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2330883 ZJHIFIGPQFYDLW-UHFFFAOYSA-N 422.529 4.949 5 40 HJBB Cc1cc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] 12628961 WCHDDUKYLQBBPD-HXUWFJFHSA-N 414.465 4.504 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 17092001 MNHMTKCEGDMYPJ-MDZDMXLPSA-N 419.828 4.634 5 40 HJBB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 23053449 QETKLLFJKNSYIX-UHFFFAOYSA-N 414.849 4.659 5 40 HJBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408568689 IIMGDBGERYRVEI-OAHLLOKOSA-N 419.275 4.746 5 40 HJBB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4nnc(-c5cccc([N+](=O)[O-])c5)o4)cc3c2C1 6946628 UGDRCABQQCUIRM-GFCCVEGCSA-N 417.425 4.503 5 40 HJBB O=C(NC1CCCCC1)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 9698627 DRIIILLGPVGRNA-UHFFFAOYSA-N 401.850 4.563 5 40 HJBB Cc1noc([C@@H](C)Sc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)n1 26086240 WMMPRNXBCILXDC-CYBMUJFWSA-N 407.455 4.992 5 40 HJBB COc1ccc(C(=O)Oc2ccc(Br)c3ccccc23)cc1[N+](=O)[O-] 722511 QBBOEUZMJUAEPQ-UHFFFAOYSA-N 402.200 4.738 5 40 HJBB CC(=O)c1ccc(Sc2nnc3c4ccccc4n(C(C)C)c3n2)c([N+](=O)[O-])c1 1428580 GNKXBLAXENRKJS-UHFFFAOYSA-N 407.455 4.822 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)nc12 10010536 NMYGFPFLSZMERH-UHFFFAOYSA-N 401.488 4.758 5 40 HJBB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226767513 UJNNAXLOJUACQI-UHFFFAOYSA-N 423.812 4.559 5 40 HJBB COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(OC)c1 408923023 DQIRFHAVPRPCAE-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 857588 REYSTPRBJUCRED-DHZHZOJOSA-N 402.366 4.557 5 40 HJBB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 8344200 XKBHBKXGPOAIHJ-MRXNPFEDSA-N 416.437 4.723 5 40 HJBB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12549941 LWDVOYRLNXEQGY-CQSZACIVSA-N 402.882 4.678 5 40 HJBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 20610542 JJKFSCVXNVNKSG-UHFFFAOYSA-N 401.426 4.704 5 40 HJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 72228884 VMKTWKFNHGXURZ-UHFFFAOYSA-N 407.264 4.770 5 40 HJBB Cc1nc(CSc2nnc(Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cs1 1422658 YVPNLEHKACMRHO-UHFFFAOYSA-N 423.523 4.824 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(OC(F)(F)F)c1 12528017 RBOFLHBTNSOZPM-UHFFFAOYSA-N 412.367 4.692 5 40 HJBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1F 2636438 LZDJKJRNXRBWFO-UHFFFAOYSA-N 407.426 4.725 5 40 HJBB Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959652 SHNLOOKNOPXWGI-UHFFFAOYSA-N 412.518 4.753 5 40 HJBB O=c1c2ccccc2c2nc3c(c(-c4ccccc4[N+](=O)[O-])c12)c(=O)c1ccccc13 3154748 UIFVMAMIUCGLDV-UHFFFAOYSA-N 404.381 4.866 5 40 HJBB O=C(CCc1ccccc1F)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12601132 YKVNRJDKORJXRF-UHFFFAOYSA-N 414.414 4.732 5 40 HJBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408573923 UDQIAFGBSGDBRO-SFHVURJKSA-N 418.906 4.656 5 40 HJBB CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409108819 WHAXUQPFQQBAEZ-UDWIEESQSA-N 421.478 4.962 5 40 HJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)c1 2254348 HMGUUTHJQZWBIW-UHFFFAOYSA-N 411.509 4.810 5 40 HJBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 4980015 KPRPKXPENVZNHG-UHFFFAOYSA-N 413.433 4.953 5 40 HJBB COc1ccc(-c2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc3sc(=O)oc23)cc1 16749853 KNTNJYKEVXFGTA-UHFFFAOYSA-N 423.402 4.658 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38853882 UGKBYCWBLQZYGA-CQSZACIVSA-N 408.285 4.752 5 40 HJBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 3195138 ZFVUZOJMOHJUKX-UHFFFAOYSA-N 422.396 4.780 5 40 HJBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-] 8071625 YARNDHXOBBRWGV-UHFFFAOYSA-N 401.216 4.547 5 40 HJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(COc5ccc(F)cc5)nc34)c12 13644085 KHIWKCLRGXCOAO-UHFFFAOYSA-N 415.400 4.851 5 40 HJBB Cc1sc2ncnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1C 13778639 VGSIRWLWWNOHRH-SNVBAGLBSA-N 422.919 4.989 5 40 HJBB C[C@H]1CN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)C[C@H](C)N1 4143250 KWHRYUWXQQAQKL-KOFPEQTISA-N 412.578 4.798 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140471 VXHHMOKPUFFMQN-UHFFFAOYSA-N 404.378 4.859 5 40 HJBB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl 20847222 SCRWNBNFHSQWGR-UHFFFAOYSA-N 410.238 4.927 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38853928 DQZZERVVSXASCV-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB O=C(Nc1cccc(-c2nnco2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40132880 MSMYBWRXEGPGPC-UHFFFAOYSA-N 402.366 4.689 5 40 HJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 408613634 ZAUJQTXCWIIFLQ-UHFFFAOYSA-N 421.453 4.541 5 40 HJBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2)c1 408693964 GERPKYWGDYAVRB-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1 17090420 FPWNKWBNNFKWKJ-UHFFFAOYSA-N 415.858 4.537 5 40 HJBB Cc1cc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)ccc1[N+](=O)[O-] 57316995 KLQVSPBBMQVCDX-UHFFFAOYSA-N 415.243 4.856 5 40 HJBB COc1cccc(OCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2OC)c1 224259437 GGHIRMCTOTZZQO-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508603 GMBSTNVOPAQIIZ-UHFFFAOYSA-N 418.877 4.724 5 40 HJBB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 3346520 LJFDPYRAXDLVOC-UHFFFAOYSA-N 420.446 4.855 5 40 HJBB Cc1cccc(NC(=O)COc2cc(O)c3c(=O)c4cccc(C)c4oc3c2)c1C 5450844 HUMFKTVPQNPCFW-UHFFFAOYSA-N 403.434 4.595 5 40 HJBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 21123871 RLXUKYDHEHOBRQ-UHFFFAOYSA-N 417.761 4.677 5 40 HJBB Cn1c([C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 79061571 USWPJYDBYRPRQM-INIZCTEOSA-N 401.264 4.586 5 40 HJBB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 3184350 GFIJYGPVTWXAQN-LJQANCHMSA-N 411.255 4.877 5 40 HJBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(C)cc2N1 72332700 VTSQSZYBPIIICA-FQEVSTJZSA-N 423.860 4.681 5 40 HJBB O=C(c1ccccc1)[C@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1843053 KCEDGJCNSXBJOR-ZEQRLZLVSA-N 421.541 4.859 5 40 HJBB COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])cc1 4311700 BIZHLMFLTLAVTB-QHCPKHFHSA-N 405.406 4.889 5 40 HJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2nc3ccccc3s2)c1 7109416 WPTWLBAFJKLHMU-UHFFFAOYSA-N 411.464 4.672 5 40 HJBB C[C@H]1[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2686048 CYXGNZIVJAFZBP-BMIZZYGASA-N 423.416 4.794 5 40 HJBB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 5299714 UAVQTJWZWOECRS-UHFFFAOYSA-N 409.423 4.653 5 40 HJBB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222936949 GDHVSPUJSXAFGL-SFTDATJTSA-N 422.510 4.878 5 40 HJBB Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cccc1[N+](=O)[O-] 5532772 PAKNFWNLFXKJQQ-GFCCVEGCSA-N 416.499 4.907 5 40 HJBB Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 6586810 JKSYIQOGWHWWSN-JTQLQIEISA-N 406.514 4.603 5 40 HJBB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 8009855 VLDOURBWJFELFE-UHFFFAOYSA-N 412.449 4.720 5 40 HJBB Cc1c(CSc2nnc(COc3ccc(Cl)cc3)n2C)cccc1[N+](=O)[O-] 40127302 ZJNLYEGTPAOEOX-UHFFFAOYSA-N 404.879 4.556 5 40 HJBB C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 40155785 YRINFYMKAQIJHD-LBPRGKRZSA-N 414.405 4.528 5 40 HJBB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 3184349 GFIJYGPVTWXAQN-IBGZPJMESA-N 411.255 4.877 5 40 HJBB C[C@H]1Cn2cc(-c3ccc([N+](=O)[O-])cc3)[n+](-c3cccc(C(F)(F)F)c3)c2S1 6714202 WCEZBQQAIILLHU-LBPRGKRZSA-N 406.409 4.853 5 40 HJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1cccc(Cl)c1 20238365 OUOSUEXBSDTTSG-UHFFFAOYSA-N 410.948 4.531 5 40 HJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 408567746 HHOJNOJXGWNCMI-IBGZPJMESA-N 400.479 4.948 5 40 HJBB CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)cc1 1906914 WNOLYHGHMQWFPL-UHFFFAOYSA-N 424.460 4.553 5 40 HJBB C[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 12495413 MTGOGEDHEROJHB-HNNXBMFYSA-N 418.428 4.623 5 40 HJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 12777514 ZQGLFNIUJJEZHO-ZDUSSCGKSA-N 415.396 4.680 5 40 HJBB O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ccccc2[N+](=O)[O-])cc1 32906794 NJMFNPIUGHXCHD-UHFFFAOYSA-N 401.466 4.996 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O 72260247 OCVARWBJIQUXBJ-UHFFFAOYSA-N 411.417 4.869 5 40 HJBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)oc1ccccc12 3200077 IQCJBRYWQJOILY-UHFFFAOYSA-N 407.338 4.663 5 40 HJBB CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 16161708 WJOARFNBPJBGBW-SFTDATJTSA-N 410.470 4.646 5 40 HJBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140525 VLSGJQDENYIKKI-UHFFFAOYSA-N 404.378 4.859 5 40 HJBB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] 24838373 KBNSXWROQVEDGC-UHFFFAOYSA-N 407.348 4.523 5 40 HJBB C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C 78821418 YHZFLBIVUQGKOB-OAHLLOKOSA-N 415.453 4.716 5 40 HJBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)c(Br)cc1OC 408576532 XOWGANMFIYFDEX-OAHLLOKOSA-N 419.275 4.746 5 40 HJBB CCN(C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12 13011674 IQPLTZOPQUFOEA-UHFFFAOYSA-N 411.889 4.886 5 40 HJBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccccc2)oc1C 23079013 CRTLGBHNTVAWMJ-UHFFFAOYSA-N 409.442 4.761 5 40 HJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)c2nc3ccccc3s2)CC1 26962026 SFQIDWPGPNJUQT-UHFFFAOYSA-N 410.499 4.717 5 40 HJBB CCOc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2246642 BRUHYYSQPLCOAN-UHFFFAOYSA-N 411.421 4.943 5 40 HJBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 3218409 TVOCYKZMHYTCDF-UHFFFAOYSA-N 402.453 4.814 5 40 HJBB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226768945 YXMVITNXTZXGSB-UHFFFAOYSA-N 410.813 4.952 5 40 HJBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 2617659 YUUKMKGNELNJOJ-UHFFFAOYSA-N 408.435 4.542 5 40 HJBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 8903653 NTCDBCGXLHJDSZ-UHFFFAOYSA-N 419.846 4.675 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 9792849 RZRRUDCMCLOQKV-UHFFFAOYSA-N 420.450 4.640 5 40 HJBB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 13113326 AETVRBJWWHJQCP-JTQLQIEISA-N 422.388 4.676 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40130862 UUMWFFGCGDJYMI-UHFFFAOYSA-N 407.474 4.841 5 40 HJBB O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCCC2)c1 107978054 SGJRJABUYSNGIW-UHFFFAOYSA-N 421.316 4.708 5 40 HJBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 13634967 NQWDPVNOZNHYAT-HXUWFJFHSA-N 406.442 4.577 5 40 HJBB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 17091238 LAKVIVUOFJOHRY-UHFFFAOYSA-N 417.796 4.702 5 40 HJBB O=[N+]([O-])c1ccc(CCCCCCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100170701 PQJHKEMRVXUDLF-UHFFFAOYSA-N 418.362 4.665 5 40 HJBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@@H]3C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 104282836 ZYKCQLAVMFDENX-ISXGNTRLSA-N 404.422 4.721 5 40 HJBB C[C@@H](c1ccccc1)n1c(-c2cccs2)nc2c(c(=O)c3ccccc3n2C)c1=O 2347922 YBKBRBMBTSVWOY-HNNXBMFYSA-N 413.502 4.586 5 40 HJBB CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 408598761 AYVBLKRHXUKKAI-ODLFYWEKSA-N 412.467 4.866 5 40 HJBB Cc1c(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cccc1[N+](=O)[O-] 408629172 NUSIFKCZPRYTJN-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409006517 KEQHUVYRCPCJHU-HKWRFOASSA-N 419.462 4.665 5 40 HJBB COc1ccc(-c2cc3ccccn3c2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3276736 JXPPERRHTTYFRT-UHFFFAOYSA-N 417.377 4.662 5 40 HJBB CC(C)[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 4220584 NWBWCSKZIPYYEL-GOSISDBHSA-N 415.833 4.781 5 40 HJBB CCC(=O)Oc1cn(-c2ccc(OC)cc2)c2nc(CC)n3c4ccccc4nc3c12 5458321 JKFMJONITVWZBX-UHFFFAOYSA-N 414.465 4.713 5 40 HJBB COc1ccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c(OC)c1 61997692 CBMDGOSGERCQSI-UHFFFAOYSA-N 417.461 4.624 5 40 HJBB biogenic O=[N+]([O-])c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2ccnn2C2CCCC2)cc1 71785165 YSNHIWXFFVKYGI-QHCPKHFHSA-N 417.469 4.968 5 40 HJBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1OC 224246956 WEAMXLLWOQAHFR-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 260759246 FJYFHGHKGHNWOV-SMHULIPUSA-N 406.467 4.839 5 40 HJBB COc1ccc(Oc2ccc(/C=C/c3nc4ccccc4c(=O)[nH]3)cc2[N+](=O)[O-])cc1 6908321 JUELHXZWAUBLOU-NTUHNPAUSA-N 415.405 4.803 5 40 HJBB C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 59420544 YOCQVJFFJMALQX-AWEZNQCLSA-N 419.416 4.807 5 40 HJBB CC(C)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccncc2)no1 95348907 DTOSNEGSAWHJTK-HXUWFJFHSA-N 419.441 4.787 5 40 HJBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 225771463 ZEDUICPQIYLOMX-UHFFFAOYSA-N 420.465 4.834 5 40 HJBB Cc1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] 409173469 NRWMLHYVVRWYBP-GZTJUZNOSA-N 423.812 4.914 5 40 HJBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 5055100 RNHSMWLVHHPXLN-UHFFFAOYSA-N 417.900 4.652 5 40 HJBB Cc1noc(/C=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1[N+](=O)[O-] 6389768 UMBZRQHVSPCJHY-DHZHZOJOSA-N 404.382 4.973 5 40 HJBB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1cccc([N+](=O)[O-])c1 12569192 WFXYBYMKNUTRHC-UHFFFAOYSA-N 416.462 4.936 5 40 HJBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)c(OC)c1 723801 HPXCRAQSFQKFNS-FQEVSTJZSA-N 418.449 4.971 5 40 HJBB O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1cccc2ccccc12)c1ccccn1 27662308 PSNXAFKSRJITRG-UHFFFAOYSA-N 413.433 4.755 5 40 HJBB Cc1cccc(-c2nnc3sc(-c4ccc(-c5cccc([N+](=O)[O-])c5)n4C)nn23)c1 67299983 CNBFLJADBYSWQS-UHFFFAOYSA-N 416.466 4.742 5 40 HJBB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225506411 SWPLRMMGXORRNY-UHFFFAOYSA-N 423.513 4.520 5 40 HJBB COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 5030238 TVYYUPDRNDWJTF-UHFFFAOYSA-N 411.421 4.612 5 40 HJBB O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1Cc1ccccc1 8325268 BXMSOUGGDLMRMD-UHFFFAOYSA-N 413.433 4.751 5 40 HJBB Cc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 32925169 AWZCZEZCQUVTLK-INIZCTEOSA-N 403.438 4.647 5 40 HJBB Cc1ccc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1[N+](=O)[O-] 408632916 HLMRPTUDVBONJQ-OQLLNIDSSA-N 416.846 4.560 5 40 HJBB Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3cccnc3[N+](=O)[O-])c2c1C 3444826 GAVQWILNHPISKG-UHFFFAOYSA-N 413.503 4.636 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 36077482 XLUWPBDJPCVERE-TVFCKZIOSA-N 424.284 4.696 5 40 HJBB Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)cc1 5321737 VLXSFHXGDVTYCS-UHFFFAOYSA-N 413.433 4.674 5 40 HJBB Cc1c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cccc1[N+](=O)[O-] 40127382 HHNAHQGZPKDYRQ-UHFFFAOYSA-N 402.785 4.910 5 40 HJBB O=C(c1ccccc1)c1ccc(NCCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 78990279 OACKPJWQCLBQHE-UHFFFAOYSA-N 414.421 4.530 5 40 HJBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c2ccccc21 946568 WOVGFUUROXBSNL-LJQANCHMSA-N 400.434 4.983 5 40 HJBB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 4009039 DBAHRZVGCSOJKN-QFIPXVFZSA-N 414.396 4.874 5 40 HJBB COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3cccc([N+](=O)[O-])c3)c2c1 5175334 OBHBAKKGSZFWRT-UHFFFAOYSA-N 402.366 4.789 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)cc2cccnc12 12546042 XXVWEUVQTXVXOG-UHFFFAOYSA-N 413.864 4.995 5 40 HJBB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c23)CO1 1866269 BZGRMKSVMKFSSK-IBGZPJMESA-N 416.528 4.715 5 40 HJBB CC(C)C(=O)Oc1cn(C[C@H]2CCCO2)c2nc(C(C)C)n3c4ccccc4nc3c12 8658154 TUOGQXZKTUSWSL-MRXNPFEDSA-N 420.513 4.701 5 40 HJBB COc1ccccc1CNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 20897605 GLBIITMQXDBMBP-UHFFFAOYSA-N 402.410 4.933 5 40 HJBB Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)o1 408632087 PUTIRSNHNSXWKJ-MHWRWJLKSA-N 415.452 4.655 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 4014303 BFZHFERYFICTHP-UHFFFAOYSA-N 406.398 4.676 5 40 HJBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)c1cccs1 7024458 IAARWMPJSZHUBX-LJQANCHMSA-N 402.859 4.594 5 40 HJBB Cc1ccccc1-c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2sc(=O)oc12 16752528 RHXJXDVTJRLYLU-UHFFFAOYSA-N 407.403 4.957 5 40 HJBB CCCCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408750532 OLGSBUOIYTWOCZ-UHFFFAOYSA-N 413.480 4.897 5 40 HJBB CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408925123 MNWNUCVNCDJHAQ-LTGZKZEYSA-N 416.433 4.951 5 40 HJBB COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc([N+](=O)[O-])c1 783160 LQNAMQNSTSJOFX-UHFFFAOYSA-N 414.421 4.708 5 40 HJBB Cc1cccc(N2CCN(Cn3c(=S)sc4cc([N+](=O)[O-])ccc43)CC2)c1C 25158978 BXZQEFOBIAHPAA-UHFFFAOYSA-N 414.556 4.737 5 40 HJBB Cc1c(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cccc1[N+](=O)[O-] 40122979 QVMGNPGJDBAJQK-UHFFFAOYSA-N 407.451 4.547 5 40 HJBB Cc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1C 408998047 QAYZQRFRHNOMST-UHFFFAOYSA-N 416.506 4.980 5 40 HJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2249181 IHYYWVAFVJDLEE-UHFFFAOYSA-N 411.509 4.810 5 40 HJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2400276 HAJNKLDKLWSYON-UHFFFAOYSA-N 415.472 4.528 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)c1nc2ccc(F)cc2s1 10254317 VLRHWUJDBKVJLJ-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 12620959 MQTZDCQRQBIZLH-UHFFFAOYSA-N 401.875 4.653 5 40 HJBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 222709639 ZQBMZWGUQYZSOC-IWMITWMQSA-N 419.510 4.760 5 40 HJBB Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 930732 NGVLNHLRKGZVDJ-UHFFFAOYSA-N 405.841 4.982 5 40 HJBB CC(=O)c1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 16992590 YXCDASJFFWZZFJ-UHFFFAOYSA-N 420.450 4.734 5 40 HJBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 102203701 VPKZZSFJSAQQRN-WNGDHGOHSA-N 407.319 4.908 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222901961 CKMYIQLSOQZRNP-PMACEKPBSA-N 408.483 4.632 5 40 HJBB COC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 10295445 HSXWREPCUVQUMG-KGENOOAVSA-N 402.406 4.561 5 40 HJBB CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 32115581 YMZSNGPKKJQKNS-UHFFFAOYSA-N 405.838 4.638 5 40 HJBB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2cc1C 10120363 KFQMWFIZVSQLEC-UHFFFAOYSA-N 401.422 4.950 5 40 HJBB COCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 13237822 DLFRAGXFGSLTBC-UHFFFAOYSA-N 408.502 4.559 5 40 HJBB C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398833 GYTRAJVVXCVVPT-HOYKHHGWSA-N 413.521 4.705 5 40 HJBB Cc1cc(C)c(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c(Br)c1 72228858 ITVIECUEUXERAG-UHFFFAOYSA-N 407.264 4.608 5 40 HJBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br 215065547 FKZIIRLRBPLIMU-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB CC(=O)c1ccc(Nc2nc(C)nc(Nc3ccc(C(C)=O)cc3)c2[N+](=O)[O-])cc1 4016829 RVQSNJCXUVIDNM-UHFFFAOYSA-N 405.414 4.586 5 40 HJBB O=C(Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 5603370 VETPKLJYBNZYKT-UHFFFAOYSA-N 402.385 4.839 5 40 HJBB COc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC 8586961 AXBZPQPYSRGTLU-UHFFFAOYSA-N 410.430 4.684 5 40 HJBB aggregator CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835551 ZUKNGDRXCXRVCI-JOCHJYFZSA-N 421.478 4.764 5 40 HJBB O=C(c1ccccc1)c1ccc(Oc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])c1 40119611 ZUISIXYNLRNOJL-UHFFFAOYSA-N 404.378 4.575 5 40 HJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408573693 UDQIAFGBSGDBRO-GOSISDBHSA-N 418.906 4.656 5 40 HJBB Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 57317053 XBRICZPEASRXMO-UHFFFAOYSA-N 415.243 4.856 5 40 HJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)o1 3833708 SJLFHUJQSJXXOM-DUXPYHPUSA-N 407.304 4.548 5 40 HJBB CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6600791 YBIHNGOEDGKIDZ-UHFFFAOYSA-N 404.401 4.567 5 40 HJBB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1[N+](=O)[O-] 20412101 ZVAZUMASTFMGHV-UHFFFAOYSA-N 412.442 4.735 5 40 HJBB CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 33404460 BHIMWGOGBIKZMQ-UHFFFAOYSA-N 423.263 4.797 5 40 HJBB Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 5265021 PQBPNPPEOXJLIA-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C 5656974 HZRLQPNGXJCQRV-UHFFFAOYSA-N 415.500 4.538 5 40 HJBB aggregator O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9715264 WBLYFIOAAWULRX-UHFFFAOYSA-N 422.254 4.739 5 40 HJBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2ccccc2s1 32900467 OBAOYDNKDNJXPI-SFHVURJKSA-N 410.499 4.760 5 40 HJBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 2468369 NEAITUPNNGRTFK-UHFFFAOYSA-N 404.451 4.665 5 40 HJBB COc1cc2nc3ccc(NC(=S)N(C)c4ccccc4)cc3nc2cc1OC 408987741 BVPKQQCTLAHCHT-UHFFFAOYSA-N 404.495 4.633 5 40 HJBB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 10542701 IRQHGVRDXYJULJ-UHFFFAOYSA-N 414.820 4.896 5 40 HJBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 17087999 NXBMRDVIECQNOQ-UHFFFAOYSA-N 408.502 4.684 5 40 HJBB C[C@H]1[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889608 CYXGNZIVJAFZBP-HIIUDZQISA-N 423.416 4.794 5 40 HJBB CCn1c(-c2ccccc2)c(C(=O)COc2cccnc2[N+](=O)[O-])c2ccccc21 5970946 UAEQNUDPDTVTNJ-UHFFFAOYSA-N 401.422 4.893 5 40 HJBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 20969369 OPIKTJJELDIVEW-UHFFFAOYSA-N 405.414 4.606 5 40 HJBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCC 408617565 CRMQBHIEASBVQH-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc1-2 409053124 KUMLPAVDAGCEGQ-UHFFFAOYSA-N 401.831 4.537 5 40 HJBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5576209 NDCZRMRSSMUWEG-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB O=C(NCc1ccccc1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624612 FUSONERYZZHOTR-UHFFFAOYSA-N 403.441 4.522 5 40 HJBB biogenic COc1ccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2OC)cc1 224271343 ZVIPPRLDZALSJK-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 409199624 PPFZPKAYASQMSC-QOCHGBHMSA-N 419.865 4.758 5 40 HJBB COc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1OC 2207381 IPUMDJLXUNARJC-UHFFFAOYSA-N 410.407 4.509 5 40 HJBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)n1CCC(C)C 3348441 OBCIDBJUDJQUMS-UHFFFAOYSA-N 406.866 4.752 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 12973217 VFYGWLTTWQKYOE-LBPRGKRZSA-N 401.875 4.878 5 40 HJBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 14131935 KHSLKHUEFYGORV-YBFXNURJSA-N 406.419 4.690 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 59500395 GUZQUGHRGNYXBL-FGEXJBCWSA-N 424.456 4.556 5 40 HJBB biogenic CCC[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 2744471 AQQYAQZGKJBQMO-SNVBAGLBSA-N 421.906 4.566 5 40 HJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)c1 9190924 GEQLPMYGOSCNJN-RBBKRZOGSA-N 416.393 4.745 5 40 HJBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCCC2)ccc1[N+](=O)[O-] 4561803 VRJWSBSSHSUGAN-UHFFFAOYSA-N 412.449 4.561 5 40 HJBB COc1ccc(C2=NN3[C@H](c4ccccc4[N+](=O)[O-])Oc4ccccc4[C@H]3C2)cc1 245267014 LEYCKGRFIBDZLN-GGAORHGYSA-N 401.422 4.846 5 40 HJBB OCCCNc1nc2cc(Br)ccc2c2ccc(Br)cc12 1601778 UKDXKEMQPNXRPZ-UHFFFAOYSA-N 410.109 4.707 5 40 HJBB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20808443 CIUYVQJWKKLWLR-UHFFFAOYSA-N 400.803 4.765 5 40 HJBB O=C(N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 27025456 HVIAIIRPNFJDKJ-AWEZNQCLSA-N 424.067 4.753 5 40 HJBB O=C(O[C@]12[C@@H]3CC[C@H](C3)[C@@H]1[C@@H]1C[C@@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104293155 RACLCRFCTKUEHG-HJKREZNTSA-N 420.421 4.729 5 40 HJBB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccc([N+](=O)[O-])cc1)nn3CC(C)C 5277828 HIEXYGGCOROBKM-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB CC(=O)Nc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 4357698 MWPVJPPTOWJKIN-UHFFFAOYSA-N 412.837 4.792 5 40 HJBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 21580499 RAHVIRZXFCICLG-UHFFFAOYSA-N 402.410 4.707 5 40 HJBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1nc(-c2ccccc2)cs1 1028924 YXGZFEAPDPUVFM-UHFFFAOYSA-N 401.403 4.672 5 40 HJBB COc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)c1 9288854 DGVZRDPLRCWTHR-UHFFFAOYSA-N 422.466 4.796 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 9540198 WRDAZIGQBKXTCT-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 10187637 LNYRBCYNBOZAAZ-UHFFFAOYSA-N 414.443 4.647 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2C)o1 20151032 GDFGKRVUVBPNHO-DHZHZOJOSA-N 406.394 4.822 5 40 HJBB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c[nH]c12 106729446 BQPRFIVBAIQITE-ZDLGFXPLSA-N 407.451 4.875 5 40 HJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 655485 BRZJYCIJQPLGKT-FYJGNVAPSA-N 400.390 4.518 5 40 HJBB Cc1ccc(C(C)C)cc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 6598222 ZIAWYURUSLOWJI-UHFFFAOYSA-N 418.515 4.994 5 40 HJBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 260788385 ZQBMZWGUQYZSOC-LPTQZCDUSA-N 419.510 4.760 5 40 HJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(Br)cc1 2710608 VVVOTNFISNHOGH-UHFFFAOYSA-N 409.286 4.942 5 40 HJBB Cc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)cc1 16742248 KSKKFJZSVUPSTJ-UHFFFAOYSA-N 407.403 4.957 5 40 HJBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccccc1[N+](=O)[O-] 4808248 YBFAWFFFVSXHLT-UHFFFAOYSA-N 400.390 4.697 5 40 HJBB CCc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)c2oc3ccccc3c2n1 5478322 NNTDVNCVNOXQGZ-UHFFFAOYSA-N 408.439 4.577 5 40 HJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2ccccc2)cc1 18194714 PLYRCHSOICABNW-UHFFFAOYSA-N 406.463 4.698 5 40 HJBB COc1ccc(CCN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 20610196 SVUNUCQOFLTSNT-UHFFFAOYSA-N 401.462 4.658 5 40 HJBB biogenic O=C(COc1ccc(Cl)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl 20892599 XSAANINKXFYUAB-UHFFFAOYSA-N 420.046 4.682 5 40 HJBB COc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 36352119 RMKPVCUPXRAUOI-GGAORHGYSA-N 401.422 4.846 5 40 HJBB C[C@@H]1[C@@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)CCC[C@H]1C 253577955 XRZJMGCZMKEROC-YTZAWJCFSA-N 413.521 4.757 5 40 HJBB COc1ccccc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12550876 PFBJAQGLLXPUQR-KRWDZBQOSA-N 406.364 4.557 5 40 HJBB COc1cc(C(=O)Nc2cc(C)on2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 32781012 VWBJVNLOKHWREW-UHFFFAOYSA-N 403.778 4.598 5 40 HJBB Cc1c(-c2nnc3sc(/C=C/c4ccc([N+](=O)[O-])cc4)nn23)oc2ccccc12 96194385 JAXGUKWDMFGRKS-DHZHZOJOSA-N 403.423 4.986 5 40 HJBB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 9906346 LJFPGNAMMCBLEB-UHFFFAOYSA-N 417.796 4.702 5 40 HJBB O=C1C[C@H](c2ccsc2)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2N1 13592884 XBZOXLHETJUVRP-GOSISDBHSA-N 416.462 4.983 5 40 HJBB Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] 14792880 MGUVFFRWDOEWND-MRXNPFEDSA-N 403.438 4.647 5 40 HJBB Cc1ccc(OCc2nn3c(-c4oc5ccccc5c4C)nnc3s2)c([N+](=O)[O-])c1 96194324 ZUFNDJPRAOKMCB-UHFFFAOYSA-N 421.438 4.703 5 40 HJBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1C 408574475 UXFYZJBXGJXNII-GOSISDBHSA-N 402.907 4.956 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 11689825 FSESSJPXLVIHGD-FQEVSTJZSA-N 422.824 4.955 5 40 HJBB O=[N+]([O-])c1cc2c(c(CN3CCCC[C@H]3c3nc4ccccc4s3)c1)OCOC2 16694619 HFOFURCHWPLQCQ-SFHVURJKSA-N 411.483 4.798 5 40 HJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1[N+](=O)[O-] 408994457 GCKVIAYEECHNHX-YSZBQJHXSA-N 417.421 4.983 5 40 HJBB COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)cc1[N+](=O)[O-] 4966166 DCHJSCXBJRJQKP-UHFFFAOYSA-N 401.806 4.781 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc2ccccc2s1 6884728 XCDSLDJXXXEUKW-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCC 408624229 VBRUJYMCMLKIRP-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB O=[N+]([O-])c1ccc(Oc2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 6049343 YGOSLMHNDHYSKZ-UHFFFAOYSA-N 404.831 4.841 5 40 HJBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 8104460 BWJGOUSGQVSDIQ-LBPRGKRZSA-N 401.875 4.878 5 40 HJBB Cc1ccc(OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 16048694 CJAICXXHIMOWJU-GOSISDBHSA-N 421.478 4.557 5 40 HJBB CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 13146648 XLUWPBDJPCVERE-MHORFTMASA-N 424.284 4.696 5 40 HJBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2)cc1 408696323 ZSSKGINDBLAACH-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB C[C@H](Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O 4110389 AYMJPOLWBACNCX-QMMMGPOBSA-N 405.712 4.911 5 40 HJBB COc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 4950015 VEGYAYPRLHVNNA-UHFFFAOYSA-N 406.438 4.524 5 40 HJBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4959738 GNOGCVYXFPAVJR-UHFFFAOYSA-N 409.364 4.736 5 40 HJBB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 12558855 HSZNYXPPYQBADE-HNNXBMFYSA-N 416.909 4.924 5 40 HJBB COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl 1107878 JFEAKADAXLNXAZ-UHFFFAOYSA-N 411.888 4.955 5 40 HJBB Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccccc1 2225682 WGBZXAJHMCBTBJ-UHFFFAOYSA-N 408.457 4.721 5 40 HJBB CSc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1[N+](=O)[O-] 3435677 GZRXAGSUKXIILI-UHFFFAOYSA-N 421.430 4.933 5 40 HJBB CC1(C)CC(N(C(=O)/C=C\c2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1 31829913 GVQGXSUXPMJCMX-BENRWUELSA-N 403.523 4.672 5 40 HJBB O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3118671 GOZVLRUESXBNRV-CQSZACIVSA-N 423.083 4.786 5 40 HJBB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 6479706 WZMGSLWOCQFJSH-UHFFFAOYSA-N 419.433 4.830 5 40 HJBB COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527456 NCCPYCCHXIOYCD-UHFFFAOYSA-N 406.869 4.764 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccccc1F 18951596 RIRJWADVHHYICW-UHFFFAOYSA-N 416.481 4.583 5 40 HJBB CCn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)CCc1ccccc1-2 408564088 XPAGVVOCIKMPRH-XDOYNYLZSA-N 413.886 4.638 5 40 HJBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(CCC3=CCCCC3)cnc21 2418893 ZIFGVKVHKDHWKC-UHFFFAOYSA-N 401.514 4.841 5 40 HJBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 9425499 IMUQAGCFRNZTAI-UHFFFAOYSA-N 421.844 4.851 5 40 HJBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 32933074 PVVKEXVLOFFWBF-OAHLLOKOSA-N 404.426 4.730 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 36077480 XLUWPBDJPCVERE-FZDBZEDMSA-N 424.284 4.696 5 40 HJBB aggregator Cc1cc(C)c(NC(=O)CCCOC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 6559932 SBXDXVAULBIUSW-UHFFFAOYSA-N 404.850 4.749 5 40 HJBB O=[N+]([O-])c1ccc2sc(SCc3nc4ccccn4c3Br)nc2c1 8683392 NVQGTACPBQTPCM-UHFFFAOYSA-N 421.301 4.907 5 40 HJBB O=C(Cc1cccs1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9344916 LMSDKIGAHRIZBN-UHFFFAOYSA-N 421.434 4.836 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12 10010658 MANUIRWWFFZRMZ-UHFFFAOYSA-N 421.862 4.663 5 40 HJBB Cc1c(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 57317054 LOTUKFICPVHOQV-UHFFFAOYSA-N 415.243 4.856 5 40 HJBB COC(=O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 79497626 YVKSKGGMNVGRSA-UHFFFAOYSA-N 417.421 4.776 5 40 HJBB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 222630108 FJYFHGHKGHNWOV-CWVNLOTRSA-N 406.467 4.839 5 40 HJBB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc1CC2 409051194 ADGJQUXABYUPGD-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2333594 UUAUVRALRXDKDO-ZDUSSCGKSA-N 401.445 4.702 5 40 HJBB O=[N+]([O-])C[C@@H](Nc1ccccc1)c1cccc([C@H](C[N+](=O)[O-])Nc2ccccc2)c1 13403675 MKKZTEXEWNZAPK-SZPZYZBQSA-N 406.442 4.546 5 40 HJBB biogenic Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc2nc3ccccc3nc12 15906317 NBFWQHUSMJBCCD-YADARESESA-N 408.505 4.540 5 40 HJBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1N[C@@H](C)c1ccccc1 27460197 DAAQJWRVTRSFNX-ZDUSSCGKSA-N 417.358 4.534 5 40 HJBB CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccccc1C 48312616 YHFYJLHTGIGITB-UHFFFAOYSA-N 422.470 4.524 5 40 HJBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Br 4844311 KUUNFLKALSWWHJ-UHFFFAOYSA-N 408.255 4.806 5 40 HJBB O=[N+]([O-])c1ccc(O)c(C23CC4CC(C2)CC(c2cc([N+](=O)[O-])ccc2O)(C4)C3)c1 12428559 SOBGCFKNINSGNC-UHFFFAOYSA-N 410.426 4.704 5 40 HJBB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 12558857 HSZNYXPPYQBADE-OAHLLOKOSA-N 416.909 4.924 5 40 HJBB COc1c([N+](=O)[O-])cc(NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-] 20528484 PQTRCMZRGRLRJO-UHFFFAOYSA-N 401.762 4.571 5 40 HJBB O=[N+]([O-])c1cccc2nc(/C=C/c3cc4ccccc4nc3N3CCOCC3)ccc12 23330350 SSNBQTPCKNCOHM-CMDGGOBGSA-N 412.449 4.698 5 40 HJBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c2ccccc21 946567 WOVGFUUROXBSNL-IBGZPJMESA-N 400.434 4.983 5 40 HJBB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3ccc4ccccc4c23)cc1 3498747 HYPSRWOLJMDFRZ-UHFFFAOYSA-N 400.463 4.523 5 40 HJBB Nc1c(Cl)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl 14899256 FZKRBTWHQQUBNK-UHFFFAOYSA-N 412.276 4.682 5 40 HJBB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc([N+](=O)[O-])s1 16044013 HCUUHWJXTVZXLS-FQEVSTJZSA-N 415.398 4.760 5 40 HJBB Cc1cc2sc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2cc1Cl 16347849 WTNJNXKZWPXELI-UHFFFAOYSA-N 420.903 4.602 5 40 HJBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409090547 NVBTXYNKKYYSCG-AQTBWJFISA-N 411.483 4.587 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2257557 SBSCCFPVSMVUAE-UHFFFAOYSA-N 403.873 4.593 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2257928 AKOFKWOUVBWIKA-UHFFFAOYSA-N 403.873 4.593 5 40 HJBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2n1 9654997 SDVUTIXARYDMBX-UHFFFAOYSA-N 420.252 4.800 5 40 HJBB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])cc1OC(F)F 12755427 GMXFTCUWCFVLTR-UHFFFAOYSA-N 421.381 4.581 5 40 HJBB C[N+]1(C/C=C/c2ccccc2)CC[N+](C)(Cc2ccc(Br)cc2)CC1 4109895 KIPIYDVSVZHPKC-RMKNXTFCSA-N 401.392 4.569 5 40 HJBB Cn1ccnc1[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 17590103 JATSRNZBGNOPBO-QFIPXVFZSA-N 412.449 4.761 5 40 HJBB CCc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 20610131 VZAZFURDFKUUAQ-UHFFFAOYSA-N 421.844 4.797 5 40 HJBB O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30520446 BJVASVJEGJGPCT-UHFFFAOYSA-N 414.918 4.694 5 40 HJBB O=C(O[C@@]12[C@H]3C[C@H](c4ccccc43)[C@H]1[C@@H]1CC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104293146 RACLCRFCTKUEHG-RVBNKKNTSA-N 420.421 4.729 5 40 HJBB CC(=O)c1cccc(-c2ccc(Cn3c(C)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1 930730 LVDIDWADBQHSPC-UHFFFAOYSA-N 413.433 4.531 5 40 HJBB CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cccc(C)c3nc21 5501518 WWHBMRDRUSKCHB-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 8104496 UFROEQDYSWFHIS-GFCCVEGCSA-N 401.875 4.878 5 40 HJBB CCC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CC)n3c4ccccc4nc3c12 8624651 MVJAFORFUQBGIT-UHFFFAOYSA-N 402.429 4.843 5 40 HJBB C[C@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)O)CC1(Cl)Cl 12601135 VUSSURFASMWBMD-OAHLLOKOSA-N 415.254 4.544 5 40 HJBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2ccccc2s1 32900466 OBAOYDNKDNJXPI-GOSISDBHSA-N 410.499 4.760 5 40 HJBB CC(C)(C)c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 5839469 WZYALHJJSUYJFJ-UHFFFAOYSA-N 408.248 4.639 5 40 HJBB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 9958985 RKDXCOYZSSEPTH-ZNFPLGDCSA-N 418.396 4.582 5 40 HJBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)CCCC2 12542714 OLIFBXTUIYPYHF-SFHVURJKSA-N 410.517 4.911 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1C 12747793 AUECGRBUCPXYJF-QHCPKHFHSA-N 421.522 4.859 5 40 HJBB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 13844500 JQEVERQNIGYLEG-UHFFFAOYSA-N 423.856 4.773 5 40 HJBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1cccs1 19792223 LPYHCIWDJYTGAB-UHFFFAOYSA-N 420.490 4.895 5 40 HJBB O=C1OCCN1c1cccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 58367345 NCQRQNVODMMXSQ-UHFFFAOYSA-N 415.755 4.836 5 40 HJBB CCSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(O)CCCC1=N2 102670378 YQBILMPFNBXHQI-HNNXBMFYSA-N 405.867 4.623 5 40 HJBB O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1 408726452 MHXGKFIVHZOGJR-UHFFFAOYSA-N 410.948 4.531 5 40 HJBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21 2256609 FMIONPORGZNGOG-UHFFFAOYSA-N 411.509 4.760 5 40 HJBB O=C(Nc1ccc(F)cc1F)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015972 SFLUVRQGRMWYIQ-UHFFFAOYSA-N 420.293 4.891 5 40 HJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O 6595590 IZYFJPHGRZYEKM-HXUWFJFHSA-N 411.797 4.735 5 40 HJBB Cc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1[N+](=O)[O-] 7595085 DLGFAQFMQJPEOT-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 9662419 ZZFMDGJQTYHDJW-SNVBAGLBSA-N 420.878 4.643 5 40 HJBB CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2964568 VFFCPRDDNNZHQP-ACJLOTCBSA-N 408.483 4.533 5 40 HJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1c(F)cccc1Cl 12658121 ZHKFHATVCAJGOI-VIFPVBQESA-N 420.746 4.950 5 40 HJBB O=C(Nc1cccnc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 6548201 SGKKYGKDXJSDQU-UHFFFAOYSA-N 402.417 4.527 5 40 HJBB Cc1cc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])cc1C 12982238 ULUJGUSLDQSTNO-NRFANRHFSA-N 413.474 4.730 5 40 HJBB Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1Br 218838779 YPYGFOSTJGSCIK-UHFFFAOYSA-N 413.655 4.645 5 40 HJBB CCN(CC)Cc1nc(Oc2ccc(C)nc2[N+](=O)[O-])c2c(C)c(C)sc2n1 7983279 XCSVVJAREXFCCI-UHFFFAOYSA-N 401.492 4.554 5 40 HJBB O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 15009192 DHWMYDKSVLCPPI-OQLLNIDSSA-N 408.357 4.850 5 40 HJBB Cc1c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] 27831584 ONQKWIZWBHHOJS-UHFFFAOYSA-N 417.796 4.702 5 40 HJBB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 408583697 WRZQEJLKTXUJSX-UHFFFAOYSA-N 408.483 4.708 5 40 HJBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1cccc(O)c1 5376178 GPJFXLSLVVMIFR-WQRHYEAKSA-N 408.391 4.801 5 40 HJBB COc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1Br 34990120 QVZJJDHNYMDERZ-UHFFFAOYSA-N 416.069 4.741 5 40 HJBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3cccs3)cnc21 5030641 MKJPHOUTHYHPPH-UHFFFAOYSA-N 403.511 4.594 5 40 HJBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 28296005 FVTOMIIYMHJJLW-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900609 JBOICKAQIOBFST-OUKQBFOZSA-N 402.410 4.891 5 40 HJBB COc1cc(C(=O)Nc2ccc3cccc(Cl)c3n2)c([N+](=O)[O-])cc1OC(F)F 96002311 YWMOVLYHKHINNP-UHFFFAOYSA-N 423.759 4.659 5 40 HJBB Cc1c(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cccc1[N+](=O)[O-] 20411028 PHTHWXWWBXLQRV-UHFFFAOYSA-N 422.422 4.611 5 40 HJBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409206964 NWPMRYGRAKMUJT-VZCXRCSSSA-N 401.875 4.673 5 40 HJBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-] 1311390 OLGTZZANROFAEV-UHFFFAOYSA-N 423.391 4.865 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cc(Cl)ccc1[N+](=O)[O-] 3008133 UTXRAXRTXAIRMT-UHFFFAOYSA-N 418.837 4.572 5 40 HJBB O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6595801 FETRVDFAXTYVDM-QFIPXVFZSA-N 409.825 4.958 5 40 HJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 7645016 YDVDVDZMEGKVED-UHFFFAOYSA-N 401.875 4.878 5 40 HJBB Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cccc1[N+](=O)[O-] 12919370 JULQJGNSZNXRAL-HXUWFJFHSA-N 413.524 4.612 5 40 HJBB Cc1nn(Cc2ccc(C(=O)Oc3cc(Cl)ccc3Cl)cc2)c(C)c1[N+](=O)[O-] 24749543 GYFONPQOENSVKN-UHFFFAOYSA-N 420.252 4.982 5 40 HJBB CC(C)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408749580 HQRKWOQYEUTXOT-UHFFFAOYSA-N 413.480 4.753 5 40 HJBB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 408763518 FZDHSRNFDJWGKX-WKDRNLAYSA-N 400.434 4.520 5 40 HJBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4903841 YZVDAEOUDJDXSK-UHFFFAOYSA-N 412.471 4.673 5 40 HJBB C[C@H](NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F)c1ccccc1 1399846 GIDPDCBPZWGNOK-LBPRGKRZSA-N 412.367 4.851 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 5151258 OAXPWBMPIBIYDZ-AWEZNQCLSA-N 413.481 4.572 5 40 HJBB COc1cc(Br)c(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1O 5155786 RZWLBMHNNJFJGF-SOFGYWHQSA-N 401.216 4.790 5 40 HJBB CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 5893762 QUBXBUGTXKSFAP-UHFFFAOYSA-N 403.508 4.593 5 40 HJBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2)cc1 13942967 FYTWUWQARJSLJC-BZZOAKBMSA-N 415.405 4.834 5 40 HJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(CC)cc2)cc1 408577293 YZAVINZWTAGKOL-HXUWFJFHSA-N 412.515 4.647 5 40 HJBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 408624114 UOXHCHFYIHPOKH-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1440338 LYHBCRHMGUFBMC-MFOYZWKCSA-N 416.817 4.542 5 40 HJBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NCc2ccccc2)cc1 4014469 JWDHFBDPRHMMTD-UHFFFAOYSA-N 406.398 4.676 5 40 HJBB CC(=O)Nc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3C)nnc2C2CC2)c1 40127916 CGBLKEFSGXGCMA-UHFFFAOYSA-N 423.498 4.612 5 40 HJBB CCOC(=O)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226340510 HNKWJGBIRISKGK-UHFFFAOYSA-N 414.639 4.766 5 40 HJBB Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 409181679 DTXRFCCFPYRXLV-NRFANRHFSA-N 420.377 4.592 5 40 HJBB O=c1c2ccccc2sc2nc(-c3ccccc3F)n(Cc3ccccc3)c(=O)c12 2340606 YKHRSHBQOFHVPD-UHFFFAOYSA-N 414.461 4.826 5 40 HJBB CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21 5500176 JYURBZBNBLCIAA-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 7094425 UKRHYFPBVMBYQZ-UYRXBGFRSA-N 405.435 4.622 5 40 HJBB CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 15454034 LIVWDQBKBMMYIA-UHFFFAOYSA-N 404.447 4.881 5 40 HJBB COc1ccccc1-c1cc(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)on1 23074496 FECYYNQFSYGATH-VQHVLOKHSA-N 414.801 4.668 5 40 HJBB CCCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398701 XYEVJBSNAIAWJN-UHFFFAOYSA-N 414.292 4.808 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@@H](C)C2 1067912 FQZHDSTUFDOPRP-SNVBAGLBSA-N 422.890 4.864 5 40 HJBB COc1ccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 4853165 YHWACPPBJVAJQL-UHFFFAOYSA-N 415.837 4.851 5 40 HJBB Cc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 7979192 FCAPCBZSALTPJI-HXUWFJFHSA-N 419.437 4.561 5 40 HJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)c(Br)s1 3279523 GJZGUXDEOMMELH-UHFFFAOYSA-N 421.066 4.538 5 40 HJBB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 13149809 GYQLHYJDQLBKMH-CYBMUJFWSA-N 411.487 4.640 5 40 HJBB C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 84655987 MGJLKEZNJXSPOL-SECBINFHSA-N 417.181 4.867 5 40 HJBB CCCCN(CCCC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5003476 JMGOJXQCNGFBSX-PYCFMQQDSA-N 423.513 4.795 5 40 HJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3CC(C)C)cc1 5066085 DRDVUMXYZOOZPZ-UHFFFAOYSA-N 411.509 4.616 5 40 HJBB Cc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 6477757 FQOPLZQBNCHZBY-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12549944 LWDVOYRLNXEQGY-AWEZNQCLSA-N 402.882 4.678 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222856508 LWGYRNGQYHWEJA-PMACEKPBSA-N 408.483 4.631 5 40 HJBB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c([N+](=O)[O-])n1 2663035 PSWOYRCYEHGDMS-UHFFFAOYSA-N 413.817 4.761 5 40 HJBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl 12511650 PZYDZNCVEOPONI-ZDUSSCGKSA-N 422.312 4.995 5 40 HJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccccc1OCc1ccccc1 2302728 BPVUBZLJGSDDFZ-XSFVSMFZSA-N 400.390 4.518 5 40 HJBB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1/C=C/c1ccc([N+](=O)[O-])cc1 3625237 IJRURWPNDILRCB-OWSFEGEDSA-N 401.422 4.715 5 40 HJBB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccccc1[N+](=O)[O-] 8435618 OBMGTOORMXYIJU-UHFFFAOYSA-N 416.462 4.936 5 40 HJBB C[C@@H](OC(=O)/C=C/c1c(F)cccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12918771 FZRLPHZLSLMQTD-PBQZMEPESA-N 417.780 4.755 5 40 HJBB COc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)c1 12982951 DYBOUDHKLFPWJE-UHFFFAOYSA-N 403.847 4.556 5 40 HJBB CN(C)c1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1[N+](=O)[O-] 32900662 ZXVHZGSNUVXWSP-UHFFFAOYSA-N 410.518 4.678 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21)c1ccccc1 409370627 BJMXFLZNXXJAGD-IMAQQZIHSA-N 420.852 4.643 5 40 HJBB CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2cc(C(F)(F)F)ccc21 22236970 IPXKZLYFSIUXTG-UHFFFAOYSA-N 419.359 4.509 5 40 HJBB COc1cc(C2SCCS2)ccc1OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 48884804 UAZUJNIZAAFELE-UHFFFAOYSA-N 416.480 4.783 5 40 HJBB O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 2733250 SOMCYQXMVBHBGY-UHFFFAOYSA-N 415.787 4.759 5 40 HJBB O=C(c1ccoc1)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 24206986 RZKFRZFKYRFCMP-UHFFFAOYSA-N 417.771 4.577 5 40 HJBB CCc1nnc(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)o1 214859531 JYHQQKFRKIJIPC-SXGWCWSVSA-N 415.427 4.635 5 40 HJBB COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 5446467 ZVVGMRNAOHLEGU-QFIPXVFZSA-N 401.422 4.595 5 40 HJBB O=c1c2ccccc2oc2nc(-c3ccccc3Cl)n(-c3ccccc3)c(=O)c12 2197527 KIMRXCSHROUDTC-UHFFFAOYSA-N 400.821 4.813 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3 5508715 PRDZMCHCLZXAGL-GFCCVEGCSA-N 400.456 4.575 5 40 HJBB O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Br 12779208 UMKOTZLOMKJPGY-UHFFFAOYSA-N 414.215 4.797 5 40 HJBB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)o1 408631657 LBFLJJUWDQFCAT-ZSOIEALJSA-N 421.818 4.671 5 40 HJBB COc1ccc(OC)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 408926643 VOQRVZTWZARTTN-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB CCOc1c(Br)cc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 12912512 WPXOOSAFVRFXKN-UHFFFAOYSA-N 417.618 4.801 5 40 HJBB Cc1ccccc1N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 95470762 LAPXXHLSXYEOJP-UHFFFAOYSA-N 411.211 4.620 5 40 HJBB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 9244119 JEQZOODEKGFOJA-QFIPXVFZSA-N 414.396 4.874 5 40 HJBB Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1[N+](=O)[O-] 16347823 BENBTUVUQJPYAG-UHFFFAOYSA-N 421.906 4.687 5 40 HJBB CC(C)Sc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408750584 PANRRWBHZFGTLB-UHFFFAOYSA-N 417.468 4.656 5 40 HJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409228275 WQBFGSDCTDNEDT-XDHOZWIPSA-N 417.421 4.565 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccccc3F)nc21 2197492 YKJKDCQLYXQWCB-UHFFFAOYSA-N 403.457 4.560 5 40 HJBB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4040886 IVXWFOGCRXFKPR-JTQLQIEISA-N 413.655 4.725 5 40 HJBB O=[N+]([O-])c1cc2c(c(CSc3ncnc4sc5c(c34)CCCC5)c1)OCOC2 5936881 XXXSNHGOONITBD-UHFFFAOYSA-N 415.496 4.637 5 40 HJBB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222945968 JHUCRRAJCDTGSL-SFTDATJTSA-N 422.510 4.878 5 40 HJBB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)o1 6300257 NAFVFXZSFSJCQJ-ONEGZZNKSA-N 405.332 4.744 5 40 HJBB Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1-c1c(C)n(C)n(-c2ccccc2)c1=O 8431457 XJTXTSDVSCNHLI-UHFFFAOYSA-N 421.482 4.568 5 40 HJBB Cc1c(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] 12734088 DRVKNLTZHXNQQU-FQEVSTJZSA-N 414.465 4.504 5 40 HJBB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728658 VWORAEYJXXXHML-DHDCSXOGSA-N 408.357 4.850 5 40 HJBB COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 5688443 ALJJBFDXCSVYAS-UHFFFAOYSA-N 403.866 4.745 5 40 HJBB O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O)c1ccc(Cl)s1 12617170 GNVMJXGLPLGMEQ-UHFFFAOYSA-N 408.844 4.989 5 40 HJBB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248248385 NRBHIPHDBAYPRG-IQUZMVKNSA-N 408.454 4.687 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Br 3309054 LJMQFXFVUFUMBO-UHFFFAOYSA-N 409.286 4.942 5 40 HJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](c3cccs3)C2)cc1 16216471 BSIGYHJPXXSUKR-IBGZPJMESA-N 424.438 4.929 5 40 HJBB O=C(c1cc(N[C@H]2CCCC[C@@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 95444758 DTNPJAWCWQOXGV-FPOVZHCZSA-N 401.507 4.513 5 40 HJBB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214998780 JQOVJHOCAFTLDR-OQLLNIDSSA-N 408.357 4.850 5 40 HJBB CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)CSc1nc2ccccc2o1 3235079 PBOFZTGBURRPSA-UHFFFAOYSA-N 423.450 4.747 5 40 HJBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4735586 NEDFKRXISSHORK-HXUWFJFHSA-N 406.442 4.577 5 40 HJBB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)c12 40133648 WTCGSYCXMKFQFT-UHFFFAOYSA-N 421.501 4.553 5 40 HJBB CC1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 72260315 HONSZPIFJSPXOH-UHFFFAOYSA-N 403.866 4.502 5 40 HJBB O=C(c1cccc2c(Br)cccc12)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642324 GFXJVPKYVOSQDO-UHFFFAOYSA-N 424.254 4.590 5 40 HJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 5215557 TWZVYQXRLOHSCE-ZDUSSCGKSA-N 403.873 4.908 5 40 HJBB CCOCCCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 7298569 FSIRNLNOKZCUOG-HNNXBMFYSA-N 413.499 4.585 5 40 HJBB Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c12 9159408 IWRNUSANCAAKKV-UHFFFAOYSA-N 419.481 4.720 5 40 HJBB COc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 35018432 YJCOMIJZNMIFNW-UHFFFAOYSA-N 416.069 4.741 5 40 HJBB COC(=O)c1ccccc1C=C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1727363 PCAPHPIZUJWEHT-UHFFFAOYSA-N 404.378 4.879 5 40 HJBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)c1 2249451 MKIGPDGJDCWOHZ-UHFFFAOYSA-N 411.509 4.865 5 40 HJBB O=[N+]([O-])C[C@H](Nc1ccccc1)c1cccc([C@H](C[N+](=O)[O-])Nc2ccccc2)c1 3845196 MKKZTEXEWNZAPK-VXKWHMMOSA-N 406.442 4.546 5 40 HJBB biogenic CCOc1ccc2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 5184840 UMBFHYGQEKMXII-NSHDSACASA-N 411.443 4.773 5 40 HJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142748 SOSXXJQIISLQEM-UHFFFAOYSA-N 421.453 4.508 5 40 HJBB Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 97141265 OVOZNGALDNQEMC-UHFFFAOYSA-N 415.877 4.825 5 40 HJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)C1 409190552 SAKFVRAKYKDERA-LJQANCHMSA-N 420.582 4.665 5 40 HJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cccc(OCc2cccc3ccccc23)c1 409324987 VSRFPCJKFCLQFT-QXMHVHEDSA-N 415.405 4.699 5 40 HJBB O=C1NC(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)S1 4106724 BILDSJONPOTAMI-AUWJEWJLSA-N 410.329 4.730 5 40 HJBB COc1cc(C(=O)NCc2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 6785882 TVGWDXZPCHBAMO-UHFFFAOYSA-N 402.790 4.572 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1OC 8586948 DZQJVZQEJCFMQF-UHFFFAOYSA-N 424.457 4.565 5 40 HJBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 20141149 MPQSDHBXLGDICM-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB Cc1ccc(S(=O)(=O)N2CC3=Cc4ccccc4Oc4cc([N+](=O)[O-])cc2c43)cc1 717719 DSVKGUDYAVMNHR-UHFFFAOYSA-N 420.446 4.758 5 40 HJBB O=[N+]([O-])c1ccc(CSc2nsc(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 13370403 BOWOVUQNPGLGMO-UHFFFAOYSA-N 420.497 4.939 5 40 HJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13811477 UEXIVPKUBVSPOF-AUSIDOKSSA-N 415.405 4.566 5 40 HJBB Cc1ccc([C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2)cc1 25921189 VSVSVFSEEPDRCA-JOCHJYFZSA-N 400.438 4.832 5 40 HJBB CC1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 72229610 UIQYPRZZLWTIFE-UHFFFAOYSA-N 403.866 4.502 5 40 HJBB COC(=O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc12 226768672 VHGDJCISPNABAB-UHFFFAOYSA-N 404.378 4.593 5 40 HJBB C[C@@H](NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F)c1ccccc1 1399847 GIDPDCBPZWGNOK-GFCCVEGCSA-N 412.367 4.851 5 40 HJBB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])oc2c1ccc1ccccc12 12542186 JWXMLYOMVVWXIU-AWEZNQCLSA-N 418.405 4.987 5 40 HJBB O=c1[nH]n(C2CCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cccnc3)c12 79195984 KMOLPRBWNUSXEC-UHFFFAOYSA-N 400.438 4.897 5 40 HJBB biogenic COc1cc2nc3ccc(NC(=S)Nc4ccc(C)cc4)cc3nc2cc1OC 408993071 BWSJZDSFRCRDJS-UHFFFAOYSA-N 404.495 4.918 5 40 HJBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 2663978 VQWVKEPOJZPYPQ-UHFFFAOYSA-N 408.435 4.542 5 40 HJBB O=[N+]([O-])c1cc2c(c(CSc3nn(-c4ccccc4)c(=S)s3)c1)OCOC2 3441110 QRGDFXAGEUBTGR-UHFFFAOYSA-N 419.509 4.730 5 40 HJBB Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cccc1[N+](=O)[O-] 12748494 HERHUAYHAGSVCG-UHFFFAOYSA-N 407.348 4.523 5 40 HJBB CC[C@H](C)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 13149810 GYQLHYJDQLBKMH-ZDUSSCGKSA-N 411.487 4.640 5 40 HJBB CCCCCn1c(-c2ccc(F)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2356821 KOUPURAWMAJVKU-UHFFFAOYSA-N 408.429 4.508 5 40 HJBB O=C(Nc1ccc(Cl)cc1)C(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 4014751 VHHNMONTDWVLEA-UHFFFAOYSA-N 404.209 4.514 5 40 HJBB O=[N+]([O-])c1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCCO4)C2=S)c1 32913803 YEWBQNRHVPFOIY-SXGWCWSVSA-N 416.505 4.573 5 40 HJBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408568687 IIMGDBGERYRVEI-HNNXBMFYSA-N 419.275 4.746 5 40 HJBB O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 13898328 KEPABFHURHQACW-UHFFFAOYSA-N 410.813 4.762 5 40 HJBB COc1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c([N+](=O)[O-])c1 36245274 PJQZLXQRXPUZKN-UHFFFAOYSA-N 416.389 4.629 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 1053211 MVBMTIXJUDEZHE-NYYWCZLTSA-N 419.828 4.634 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccccc3Cl)nc21 5428660 CDBPGQIKLDEJBM-UHFFFAOYSA-N 405.885 4.684 5 40 HJBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 8071628 GBPGHCFWGCBPPR-UHFFFAOYSA-N 401.216 4.547 5 40 HJBB Cc1nc(COc2cccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 12866691 LGPQVIPKUOCEMC-AWEZNQCLSA-N 411.483 4.772 5 40 HJBB CC(=O)c1cccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)c1 20280118 SXKHLWIZTBSFRE-UHFFFAOYSA-N 420.450 4.734 5 40 HJBB CCOc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2284670 YTKQOBXUPNPSRK-UHFFFAOYSA-N 411.421 4.943 5 40 HJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2303122 GSVNEEPGARYUHL-UHFFFAOYSA-N 403.873 4.737 5 40 HJBB CCn1c(COc2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 6226132 GDGCREQTEICCRK-UHFFFAOYSA-N 404.879 4.731 5 40 HJBB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 15034267 CDVPVAKSILVZFJ-QFIPXVFZSA-N 407.495 4.551 5 40 HJBB CC1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 72260316 ALGOYQYSCQIUNE-UHFFFAOYSA-N 403.866 4.502 5 40 HJBB O=c1nc2c3ccccc3nc(Nc3ccc(Cl)cc3)n2nc1-c1ccc(F)cc1 89872966 HUOSQQHKRBOTCF-UHFFFAOYSA-N 417.831 4.841 5 40 HJBB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 253577954 XRZJMGCZMKEROC-NXMSCROESA-N 413.521 4.757 5 40 HJBB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 409051732 MWSKWAYLGKZWFB-UHFFFAOYSA-N 401.831 4.537 5 40 HJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)OC(C)(C)C)cc1 3288945 BGGFCTRVDDNQMQ-UHFFFAOYSA-N 403.456 4.553 5 40 HJBB O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCN3Cc2ccc(Cl)cc2Cl)cc1 63110743 BPVYBOYZIIVKRJ-UHFFFAOYSA-N 422.312 4.731 5 40 HJBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(COc2ccc(Cl)cc2)o1 408582398 NSLANZVYOPGPIN-UHFFFAOYSA-N 405.819 4.564 5 40 HJBB C[C@@H](Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O 4110390 AYMJPOLWBACNCX-MRVPVSSYSA-N 405.712 4.911 5 40 HJBB Cc1c(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)cccc1[N+](=O)[O-] 10330566 NTGJEXJMEGPRHT-QHCPKHFHSA-N 403.482 4.623 5 40 HJBB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 12553916 ZICCRQQPZRBVME-AWEZNQCLSA-N 421.419 4.707 5 40 HJBB CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 13634971 NQWDPVNOZNHYAT-FQEVSTJZSA-N 406.442 4.577 5 40 HJBB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cc([N+](=O)[O-])ccc1O 19792963 ANNBWADCPHUADV-UHFFFAOYSA-N 401.806 4.731 5 40 HJBB CCc1ccc([C@@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 20290481 JTRXAGQKEBNGGS-FNAHDJPLSA-N 411.502 4.514 5 40 HJBB Cc1nc2c(ccc3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])s4)sc32)s1 4174007 FUHGTXWYGXQPHC-QHHAFSJGSA-N 402.482 4.836 5 40 HJBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142760 FKECOSFBVAPYNG-UHFFFAOYSA-N 421.453 4.508 5 40 HJBB O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 32925076 JEDCOQPHFWSOSJ-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 409245490 UOIPQDYPFKMZTP-NDENLUEZSA-N 417.421 4.565 5 40 HJBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 4871969 UCOVRFHFHHQFHH-FYYLOGMGSA-N 401.422 4.846 5 40 HJBB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1 408620005 GJVMBVFHBDUWDQ-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCCCCC1 4713412 KXKUJXHQKMLKTO-UHFFFAOYSA-N 413.430 4.631 5 40 HJBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 9296241 ATGLMPPTQNDHGF-UHFFFAOYSA-N 419.466 4.538 5 40 HJBB COc1ccccc1CCN1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 19890963 BBLATLKGUYTRED-UHFFFAOYSA-N 401.462 4.658 5 40 HJBB CCOC(=O)/C=C(/C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1cc2ccccc2[nH]1 31829606 MFPYJSYTPCQIPY-SISXUJTISA-N 418.453 4.694 5 40 HJBB O=c1oc2ccccc2c(NCCOc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] 59484721 LMRKUMABCYHQSP-UHFFFAOYSA-N 402.406 4.859 5 40 HJBB Cc1ccc2nc3sc(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)c(N)c3cc2c1 4994004 DZRJRMPDRCCZEY-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c3nc4ccccc4n23)cc1 9002141 RNFUPCMJYBRAHZ-UHFFFAOYSA-N 423.428 4.826 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 9030224 QDTBOMZLUMDEJE-UHFFFAOYSA-N 419.842 4.595 5 40 HJBB Cc1ccccc1Nc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 3294917 SQDSXNVQGBEBSG-UHFFFAOYSA-N 416.484 4.657 5 40 HJBB O=C1/C(=C/Nc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1cccc(Cl)c1 12312249 MDORHUMVZYPMLW-QGOAFFKASA-N 419.824 4.888 5 40 HJBB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40096474 ZFYBBVDDOJIDPH-UHFFFAOYSA-N 418.453 4.741 5 40 HJBB CCn1c2c(s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl)CCc1ccccc1-2 408561935 LUMXJZLANDDMIK-XDOYNYLZSA-N 413.886 4.638 5 40 HJBB Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cccc1[N+](=O)[O-] 408622720 RCFBHAHSVSBLEB-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 2685858 DLENJIJDTKNHBJ-UHFFFAOYSA-N 411.483 4.895 5 40 HJBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccco1 828578 ONYHDRYSJPDKAY-UHFFFAOYSA-N 403.188 4.995 5 40 HJBB O=C(Cn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCC1 4272471 JRFAXNMXFYYXJG-UHFFFAOYSA-N 409.511 4.854 5 40 HJBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccc(F)cc1)c1cccs1 12814855 KPQICTAYQFZGTD-IBGZPJMESA-N 420.849 4.733 5 40 HJBB Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cccc1[N+](=O)[O-] 12996689 OCLJKGLDVTUXME-UHFFFAOYSA-N 405.458 4.531 5 40 HJBB Cc1cccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 223425194 RUCZFYIAXSBPFC-HAVVHWLPSA-N 402.450 4.639 5 40 HJBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2cc(Cl)ccc2Cl)s1 948843 HEILCTQMJMMPJY-UHFFFAOYSA-N 409.254 4.860 5 40 HJBB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](/C=C/c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1 227173104 UUTIJNYQTKEXDQ-YXMGTMDOSA-N 417.421 4.580 5 40 HJBB Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2)cc1 2061023 JZHWHFUUTCDFAE-XKZIYDEJSA-N 414.417 4.827 5 40 HJBB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1[N+](=O)[O-] 10740900 NOTZQNJPIZFMRU-UHFFFAOYSA-N 410.430 4.600 5 40 HJBB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 58185652 SUMNXRJDPRNWKD-UHFFFAOYSA-N 412.465 4.577 5 40 HJBB O=C(Nc1ccccc1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12512317 QJHYECDTWWGVIL-UHFFFAOYSA-N 411.355 4.608 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2cc(Br)ccc2c1Cl 17089372 WQPAFYCQHIIHPC-UHFFFAOYSA-N 412.652 4.873 5 40 HJBB COc1ccccc1CN(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 20484640 HWYFBMRCMTVPHB-CJLVFECKSA-N 402.450 4.803 5 40 HJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1ccc(N2CCC(O)CC2)cc1 58356071 SGQDOUYFKXJPSO-UHFFFAOYSA-N 415.799 4.972 5 40 HJBB Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1[N+](=O)[O-] 7956633 QVYFMGZMXGJQRK-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB Cc1ccccc1OCCNC(=O)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408717892 AYDABHUUQRIBAO-UHFFFAOYSA-N 400.378 4.803 5 40 HJBB O=C(NC1CCCCC1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974735 CVWWBCFEEDZDJA-UHFFFAOYSA-N 407.477 4.942 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1cccc(F)c1 585139123 ROJLQAUBEYFZTQ-UHFFFAOYSA-N 416.481 4.583 5 40 HJBB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1O 3151775 NNJIPVSUDSHHSJ-UHFFFAOYSA-N 406.019 4.622 5 40 HJBB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 4854183 DRONVMYLHJOTNP-FYYLOGMGSA-N 401.422 4.846 5 40 HJBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C)oc2C)c2ccccc2)c([N+](=O)[O-])c1 4930212 DIIDMHCZRBLOMH-FQEVSTJZSA-N 408.410 4.650 5 40 HJBB Cc1ccc(-c2ccc(C(=O)n3c(C)c(C(=O)O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767210 ZQOIZQPRZJKUDO-UHFFFAOYSA-N 404.378 4.813 5 40 HJBB O=C(/C=C/c1ccc(Cl)cc1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 8985831 RGZZMXRVDUOVIR-IZZDOVSWSA-N 424.844 4.503 5 40 HJBB COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[N@@+](C)(Cc1ccc(O)cc1)CC2 245239426 ISWWMWNKTBYUCP-RPLLCQBOSA-O 420.529 4.602 5 40 HJBB CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 408599919 OLRUZWPDRUTHKL-ODLFYWEKSA-N 412.467 4.866 5 40 HJBB COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c(OC)c1 6858548 SOIYYAHSVBEYMV-UHFFFAOYSA-N 402.410 4.966 5 40 HJBB Cn1cccc1[C@H]1CCCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 32902679 BQEZERGDMZRWQT-XMMPIXPASA-N 413.521 4.637 5 40 HJBB CCCn1c2ccccc2c2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])nc21 1428579 BFBDCNRVVDASRQ-UHFFFAOYSA-N 407.455 4.652 5 40 HJBB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 17952740 APQADEXZDAKXDK-UHFFFAOYSA-N 417.421 4.945 5 40 HJBB aggregator COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc([N+](=O)[O-])cc1 59409232 DETAHWRXHCODLP-JOCHJYFZSA-N 421.478 4.879 5 40 HJBB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783997 YAZNFLLAGMSLPL-UHFFFAOYSA-N 422.812 4.791 5 40 HJBB O=[N+]([O-])c1ccccc1/C=C1\CCC(C(=S)Nc2ccccc2)=C1N1CCOCC1 3334983 QJDCCAVAKDAEAN-FBMGVBCBSA-N 421.522 4.798 5 40 HJBB C[C@@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc23)C1 8765734 OXSHESPNDOSYGO-LLVKDONJSA-N 420.874 4.920 5 40 HJBB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 9425998 QJDBJKNOFSXJIB-UHFFFAOYSA-N 401.850 4.563 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2oc(C3CC3)nc2c1 33214928 CSODWKSDNYRXBC-UHFFFAOYSA-N 409.445 4.812 5 40 HJBB CC(=O)Nc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409135059 QXHHORZSDYHKCE-PXLXIMEGSA-N 401.422 4.733 5 40 HJBB Cc1nn(Cc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)c(C)c1[N+](=O)[O-] 2794577 KTPYLQUUMSUOKG-UHFFFAOYSA-N 421.482 4.627 5 40 HJBB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 4682577 DHWMYDKSVLCPPI-DHDCSXOGSA-N 408.357 4.850 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccc(F)c1 9414187 WGPFSPLTPVOKFL-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCc1ccccc1 224356596 DIGYRSMSQNSLJF-UHFFFAOYSA-N 406.438 4.881 5 40 HJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl 225565705 KKPNGUSPGQMHJJ-UHFFFAOYSA-N 418.877 4.724 5 40 HJBB CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408577191 YQGUTBVCYBSJQW-QGZVFWFLSA-N 404.492 4.547 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc(F)cc3)nc21 2363371 VCDMKDBNMOJZQB-UHFFFAOYSA-N 417.484 4.950 5 40 HJBB Cc1ccc2nc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 3222504 HGNVWEDPVJZDQT-UHFFFAOYSA-N 416.509 4.853 5 40 HJBB CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 8564039 MZYGCJNHSPNVRO-UHFFFAOYSA-N 411.227 4.928 5 40 HJBB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1 9007853 IHHQICOSITZTOW-BOPFTXTBSA-N 423.222 4.855 5 40 HJBB CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 2025708 FEGDELCCKFUKOX-LJQANCHMSA-N 401.260 4.887 5 40 HJBB CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 10010646 SWPWSJDCVVILRR-LLVKDONJSA-N 401.444 4.643 5 40 HJBB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 12993333 KMCVFBHWBXOXNR-GOSISDBHSA-N 400.481 4.514 5 40 HJBB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 7608968 AGFTWEMJBDNGLI-UHFFFAOYSA-N 401.850 4.563 5 40 HJBB O=[N+]([O-])c1ccc2nc(/C=C/c3cc4ccccc4nc3N3CCOCC3)sc2c1 16044984 BLBAMLPKIKENLM-VMPITWQZSA-N 418.478 4.760 5 40 HJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 106688949 LAGFCKKOVZFRCR-UNOMPAQXSA-N 423.425 4.761 5 40 HJBB CSc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1[N+](=O)[O-] 6235224 FMRXJBAYTKSPAH-UHFFFAOYSA-N 413.480 4.895 5 40 HJBB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14679045 WEIKJJWTUCODAG-UHFFFAOYSA-N 415.519 4.737 5 40 HJBB O=[N+]([O-])c1ccc(N2CCCC2)c([C@H]2OCCCN2Cc2ccc(Cl)cc2)c1 59490028 CGUIKEPCARQAOY-OAQYLSRUSA-N 401.894 4.770 5 40 HJBB CC(=O)Nc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 3134746 YWPLWRIDBARTQR-UHFFFAOYSA-N 419.699 4.926 5 40 HJBB COc1ccc(-c2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 5142186 RMVVNDSCURLJKC-UHFFFAOYSA-N 403.390 4.956 5 40 HJBB biogenic CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1[N+](=O)[O-] 32001722 FPIZZSIHCXWEFH-UHFFFAOYSA-N 420.469 4.784 5 40 HJBB O=[N+]([O-])c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(C(F)(F)F)c1 63255583 AQAAWUIVDOSTMH-UHFFFAOYSA-N 424.375 4.503 5 40 HJBB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc([N+](=O)[O-])c1 224888034 IAYJXJZLKAMDAD-UHFFFAOYSA-N 416.231 4.584 5 40 HJBB Cc1cc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)ccc1[N+](=O)[O-] 830152 ZOXLYRBSKIBEBM-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB COc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 24506757 MUCWBWPHCMIELG-UHFFFAOYSA-N 413.474 4.756 5 40 HJBB Nc1c(-c2ccc3ccccc3n2)c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 1044100 UUGOHBJAEUZKAI-UHFFFAOYSA-N 422.444 4.755 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 3453922 NGZZLWGLXSOTII-LBPRGKRZSA-N 415.496 4.846 5 40 HJBB CC(C)CCN(CCC(C)C)C[C@@H](O)Cn1c2ccccc2c(=O)c2ccccc21 4811495 SGQRHPWXJXKYCQ-OAQYLSRUSA-N 408.586 4.910 5 40 HJBB O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 6444565 DVCJERCOQMMOQB-CQSZACIVSA-N 423.083 4.786 5 40 HJBB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc2ccccc2c2ccccc12 6609224 JQAHRBNJOIBEAC-OAHLLOKOSA-N 418.880 4.903 5 40 HJBB O=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 7596495 RGCQXLGEJVBAEW-UHFFFAOYSA-N 414.421 4.603 5 40 HJBB Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1Oc1ccccc1Cl 48355156 QLIFJOGOQKYPFO-UHFFFAOYSA-N 400.822 4.574 5 40 HJBB CCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5428988 QXXPEWMFTXAVJX-UHFFFAOYSA-N 401.510 4.623 5 40 HJBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 826554 IINLUSKGMYCSQY-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 59500393 MAXUGBKMBSLEER-ZQFKLAOWSA-N 424.456 4.556 5 40 HJBB biogenic O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 408572534 JJVSZROKPUCSMV-DHZHZOJOSA-N 411.414 4.520 5 40 HJBB CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1c[nH]c2ccccc12 663370 BZKJFQNHVMHUPB-DAXPHYLKSA-N 418.453 4.694 5 40 HJBB O=C(CSc1ccccc1)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1 1002363 FWFDUPJKYCWQBR-UHFFFAOYSA-N 418.368 4.605 5 40 HJBB O=c1nc(Cc2ccccc2)n(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc12 1372468 BUTZZMGMWHDINI-UHFFFAOYSA-N 405.841 4.597 5 40 HJBB C[C@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl 6494951 YXKXKLAOJRECJX-HNNXBMFYSA-N 402.878 4.980 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222902087 CKMYIQLSOQZRNP-VQTJNVASSA-N 408.483 4.632 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 687067 KPHKBUVETNFIHG-LBPRGKRZSA-N 402.472 4.599 5 40 HJBB C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2629146 GPYGACALOVHRLN-MRVPVSSYSA-N 406.719 4.812 5 40 HJBB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106722584 RZUDECJQUPVRNW-ODLFYWEKSA-N 412.467 4.866 5 40 HJBB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 12651519 ZRUWJTKWBWRRFI-UHFFFAOYSA-N 423.406 4.503 5 40 HJBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(F)cc1 408560204 CNVPCODOGLIGNT-LNVKXUELSA-N 413.474 4.977 5 40 HJBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104453 BWJGOUSGQVSDIQ-GFCCVEGCSA-N 401.875 4.878 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 409017529 XDLGJWPWLJKQPI-LFIBNONCSA-N 409.785 4.606 5 40 HJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccccc2)cc1 2249211 WIFBBULSFXUUHG-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 4168883 IVXTXTKDOXPLHH-FKVLARQCSA-N 402.475 4.644 5 40 HJBB C[C@@H]1[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 4767736 CYXGNZIVJAFZBP-KAWXRDEMSA-N 423.416 4.794 5 40 HJBB Cc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 4870925 MZNLOAQSEBUSMG-UHFFFAOYSA-N 404.831 4.567 5 40 HJBB Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(CC(C)C)c1C 8135915 MOHIIASHTLYNHU-ZDUSSCGKSA-N 410.927 4.837 5 40 HJBB Cc1ccn2cc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2n1 9572090 HITHMFVHWOEQMJ-UHFFFAOYSA-N 407.817 4.519 5 40 HJBB CCOc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 9630440 YXDYIWGJUODKSI-UHFFFAOYSA-N 424.432 4.927 5 40 HJBB CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccs1)c1c[nH]c2ccccc12 15835553 ZUKNGDRXCXRVCI-QFIPXVFZSA-N 421.478 4.764 5 40 HJBB Cc1nn(Cc2ccc(C(=O)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] 32738567 RDKVDDBUPWXGGO-UHFFFAOYSA-N 420.252 4.982 5 40 HJBB O=C(O)C[C@H](Nc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 1307418 RWOMTKFEFCKWPY-FQEVSTJZSA-N 414.421 4.833 5 40 HJBB CC(C)Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 4254507 LTYSTQPLYDMDJW-UHFFFAOYSA-N 418.906 4.985 5 40 HJBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1cccc(Cl)c1 4328294 LXTLITFWFGZNIH-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 12788762 NKUKSTALKJZXJP-UHFFFAOYSA-N 401.831 4.559 5 40 HJBB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106741045 XZYHRMGNGUTCDT-ODLFYWEKSA-N 412.467 4.866 5 40 HJBB O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 408558208 QKKNPDNVVIQHAQ-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB O=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1410686 DWTHAYISURWNDZ-UHFFFAOYSA-N 415.037 4.511 5 40 HJBB COc1ccc(-c2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 2432345 MATZCGJIEXFIFQ-UHFFFAOYSA-N 417.373 4.596 5 40 HJBB biogenic Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 6479708 GDSSCGRLRGLSGE-UHFFFAOYSA-N 405.406 4.522 5 40 HJBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1[N+](=O)[O-] 21595902 BFYYZURITHLZOC-ACCUITESSA-N 407.451 4.690 5 40 HJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 72229259 QJUYGCLFBJPRON-UHFFFAOYSA-N 424.682 4.863 5 40 HJBB CCC[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 2744470 AQQYAQZGKJBQMO-JTQLQIEISA-N 421.906 4.566 5 40 HJBB Cc1ccc(C(=O)Nc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1[N+](=O)[O-] 4551127 UHJUENFABIIANA-UHFFFAOYSA-N 406.423 4.934 5 40 HJBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 14066346 PQJPCRXDIYZEKW-UHFFFAOYSA-N 422.890 4.730 5 40 HJBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 43435969 PEFYVLDAWPXADM-UHFFFAOYSA-N 414.465 4.520 5 40 HJBB O=C(O[C@@]12[C@H]3C[C@@H](c4ccccc43)[C@H]1[C@@H]1CC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104293142 RACLCRFCTKUEHG-PROJJOFMSA-N 420.421 4.729 5 40 HJBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2O)n1-c1ccccc1 408607798 UTISEQZXADMCHV-UHFFFAOYSA-N 418.434 4.512 5 40 HJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 5100916 WZQGLBUZHSNVSC-UHFFFAOYSA-N 401.513 4.557 5 40 HJBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C)c1 8414491 VJXUZSNWHHUFPX-UHFFFAOYSA-N 421.497 4.693 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 12540566 DFXNNAJPZWVLML-NRFANRHFSA-N 400.453 4.658 5 40 HJBB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17091997 PDMQUEFRQSKPFX-UHFFFAOYSA-N 419.821 4.774 5 40 HJBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1 97165926 IOQNBNWPBNAQTM-UHFFFAOYSA-N 416.330 4.971 5 40 HJBB Cc1ccccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 6547653 CNJOEBRBRDOGMB-UHFFFAOYSA-N 403.467 4.838 5 40 HJBB O=C(NCc1ccco1)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 9493246 RTCWSQHJIZYNRI-XNTDXEJSSA-N 422.828 4.575 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408694696 LVTFNQPWULHPRV-UHFFFAOYSA-N 419.828 4.748 5 40 HJBB O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](c2nc3ccccc3o2)C1 681958147 DWNCXVXNNACNDF-KRWDZBQOSA-N 423.472 4.842 5 40 HJBB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)c(C)c1 5658057 MWJDJQUZZUGPRK-RGEXLXHISA-N 413.433 4.852 5 40 HJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 8475350 NGAZJPTXAQSATD-QFIPXVFZSA-N 409.463 4.691 5 40 HJBB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 14792595 YKIOOWOAVYNHSH-INIZCTEOSA-N 403.438 4.647 5 40 HJBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 5569584 LKYYXNMNLBYTLY-UHFFFAOYSA-N 402.834 4.990 5 40 HJBB Cc1c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cccc1[N+](=O)[O-] 8331193 DESJXULJWBXYGV-UHFFFAOYSA-N 401.466 4.714 5 40 HJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(c2ccccc2)CC1 40034337 KCMXUTBLVPJOCB-UHFFFAOYSA-N 410.417 4.554 5 40 HJBB Cc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 9509369 SZUFMMQUTLFZSD-HNNXBMFYSA-N 420.903 4.880 5 40 HJBB COc1ccc([C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12551766 ZTHIYVSZPYDWHU-KRWDZBQOSA-N 406.364 4.557 5 40 HJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)ccc1Cl 89872961 DNEQBBFZLZVBGM-UHFFFAOYSA-N 402.815 4.948 5 40 HJBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2n1 4840782 IUMRFBAJIZQGMI-UHFFFAOYSA-N 406.225 4.776 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 17088402 CYICUOWIYYLSAM-QPJJXVBHSA-N 410.282 4.736 5 40 HJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc12 226768654 BSFZPKLWANUXKV-UHFFFAOYSA-N 418.405 4.901 5 40 HJBB Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 851931 GWXCHRAOIGDZFY-OUKQBFOZSA-N 401.422 4.807 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3217388 CHZIQTDOIJCZKV-UHFFFAOYSA-N 420.450 4.770 5 40 HJBB COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6973401 RKZZLCQACHCGPO-UHFFFAOYSA-N 406.829 4.691 5 40 HJBB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 95457279 SXEBYZXOPSUIFJ-AUUYWEPGSA-N 412.445 4.793 5 40 HJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1O 408838944 KOMAPDRSUSYPAF-KPKJPENVSA-N 400.799 4.513 5 40 HJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2333577 AHEHNISVYRSJLV-UHFFFAOYSA-N 411.509 4.892 5 40 HJBB O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCC3)cc2Br)cc1 109047377 FVQMUTPIWNFPTQ-UHFFFAOYSA-N 421.316 4.708 5 40 HJBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC(C)C 225564886 YHWNTBVIRCDBLA-UHFFFAOYSA-N 412.486 4.625 5 40 HJBB Cc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C(C)C)n2)cc1 7721361 PAASYLXGKUGJOO-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccccc4)=NN32)c1 9190926 GEQLPMYGOSCNJN-IFMALSPDSA-N 416.393 4.745 5 40 HJBB CC(=O)N(c1cccc(C)c1)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1 8131900 PKZOVOHEGTVKTQ-UHFFFAOYSA-N 401.419 4.762 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc(F)ccc2F)cs1 2632032 YDNBJSFJTZVCOI-UHFFFAOYSA-N 407.423 4.727 5 40 HJBB COc1cccc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)c1 5348049 OSZFILRHWPOAOC-UHFFFAOYSA-N 406.445 4.563 5 40 HJBB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)c1cc([N+](=O)[O-])ccc1Cl 7342097 XOXPLNSQOJXQNU-UHFFFAOYSA-N 409.254 4.662 5 40 HJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1Cc1ccccc1 9588237 KDQQIYVIJVXYSK-UHFFFAOYSA-N 424.840 4.635 5 40 HJBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 20485164 MMYSTOIBJUKHLU-UHFFFAOYSA-N 418.858 4.982 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 40161257 ACHINYMFUDBUAT-FQEVSTJZSA-N 401.426 4.577 5 40 HJBB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 2628662 CYDWLKVTGXGMNZ-UHFFFAOYSA-N 416.412 4.517 5 40 HJBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 9698978 OMSBEBZIDORIAT-UHFFFAOYSA-N 408.439 4.594 5 40 HJBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408567671 HCKGUCSOFSFKDA-NRFANRHFSA-N 420.494 4.848 5 40 HJBB CCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(C)c2[N+](=O)[O-])cc1 4619117 FYANWHSHSYWOAJ-UHFFFAOYSA-N 407.430 4.782 5 40 HJBB COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4790821 NMTZCOYJRWSSEM-UHFFFAOYSA-N 422.828 4.824 5 40 HJBB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 8760781 HDQPRMALGREKAQ-UHFFFAOYSA-N 418.547 4.848 5 40 HJBB O=c1c2ccccc2sc2nc(-c3ccc(F)cc3)n(Cc3ccccc3)c(=O)c12 2241386 DIZUKHONWADEIC-UHFFFAOYSA-N 414.461 4.826 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1 5091213 TXWUMOBQRBTGEO-UHFFFAOYSA-N 406.847 4.674 5 40 HJBB Nc1c(-c2ccccc2Cl)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1F 5584325 HIZBZQWAQMSPLX-UHFFFAOYSA-N 409.804 4.941 5 40 HJBB CCOc1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 20489531 ZOKACWSYZJYJKF-CJLVFECKSA-N 402.450 4.851 5 40 HJBB CCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 248031768 XZMHOJTTWHSLAW-UHFFFAOYSA-N 409.393 4.828 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]21)c1ccccc1 409368023 LODOMOZLNGDUKF-IMAQQZIHSA-N 420.852 4.643 5 40 HJBB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)c1 4176137 FIOIGCXFGZYAMA-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB Cc1cccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1[N+](=O)[O-] 12627378 ZTXDTAODRCLFNT-HXUWFJFHSA-N 414.465 4.504 5 40 HJBB Cc1ccc2cc3c(NC(=O)c4ccc([N+](=O)[O-])cc4)nn(CC(C)C)c3nc2c1 5164622 LGVUWWRUGALXCS-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 5929872 VMTXGVWQUUQZCW-UHFFFAOYSA-N 412.486 4.778 5 40 HJBB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 6623466 GRZRZZZJTPIXFQ-UHFFFAOYSA-N 414.439 4.505 5 40 HJBB O=C(c1ccccc1)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 6728029 JDNQFOHZDLBSOR-UHFFFAOYSA-N 403.437 4.735 5 40 HJBB CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)sc2c1 9373122 IXKAOYNPHVMDDJ-UHFFFAOYSA-N 423.903 4.987 5 40 HJBB Cc1c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cccc1[N+](=O)[O-] 40127342 FUGUPZDOKYOYLT-UHFFFAOYSA-N 417.494 4.897 5 40 HJBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)c(C)c1 103005055 XOUVFIKGMHUDKS-STZFKDTASA-N 413.433 4.852 5 40 HJBB Cc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] 12601270 KIVPFUYIEJXNKJ-HXUWFJFHSA-N 414.465 4.504 5 40 HJBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 13284049 SCQHPDNRJUCIHG-UHFFFAOYSA-N 422.388 4.530 5 40 HJBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)NC1CCCCC1 35313197 CZCBRTWXWACADQ-UHFFFAOYSA-N 408.552 4.934 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 43342867 SYLBBVCOPKUOFU-KRWDZBQOSA-N 417.849 4.779 5 40 HJBB COc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 408917536 WOQGRNWXXMAHCD-NDENLUEZSA-N 420.446 4.993 5 40 HJBB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc([N+](=O)[O-])c1 3252997 QENPNVHYYFWOTL-QFIPXVFZSA-N 400.390 4.857 5 40 HJBB COc1cc(C(=O)Nc2ccccc2N(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC 48312061 ZONUZTMIUBTLAH-UHFFFAOYSA-N 421.453 4.501 5 40 HJBB COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] 408621323 LRRINRNMRQHACX-UHFFFAOYSA-N 401.216 4.771 5 40 HJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(C)c2)cc1 408694059 HUFSIABUNUUOAV-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2ccc(F)cc2)CCCC1 4933324 YYMTUFJIZCTZIG-UHFFFAOYSA-N 414.480 4.880 5 40 HJBB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(Cl)c12 5313693 ATEMOKQAPYPXQY-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6571503 ZWTMQRJEZYFDMT-UHFFFAOYSA-N 418.291 4.827 5 40 HJBB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7929530 ZHUMHYZDSIAYLW-INIZCTEOSA-N 410.470 4.549 5 40 HJBB COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 10187550 AHJXRPPPUBSZOA-UHFFFAOYSA-N 423.450 4.962 5 40 HJBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c2ccccc2c1Br 69415713 HRWIGEANFBVQFX-UHFFFAOYSA-N 402.248 4.501 5 40 HJBB COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 5446469 ZVVGMRNAOHLEGU-JOCHJYFZSA-N 401.422 4.595 5 40 HJBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2F)c(=O)c2ccccc21 9087525 BKXSSGPMZPUKTE-UHFFFAOYSA-N 417.396 4.505 5 40 HJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccccc2s1 9717004 IZMXZKXFPWWLCA-JLHYYAGUSA-N 416.462 4.846 5 40 HJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 13583968 XYJXOWANTIINLG-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB CCN(CC)C[C@@]1(Sc2ccc(C)cc2)COc2c(cc(C)cc2[N+](=O)[O-])C1=O 55149945 KNKHZYRPHQABLX-JOCHJYFZSA-N 414.527 4.660 5 40 HJBB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 408763515 FZDHSRNFDJWGKX-UGESXGAOSA-N 400.434 4.520 5 40 HJBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 408620482 JKPXMGGUQUORBR-UHFFFAOYSA-N 403.822 4.667 5 40 HJBB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CSC2 4176117 QREDTOJAZRALME-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 8916219 IDAVUSKKRBIRPZ-UHFFFAOYSA-N 408.454 4.919 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 89780844 KIQKZORSCBZMDL-UHFFFAOYSA-N 409.471 4.525 5 40 HJBB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4849264 HRHCGXSTMOZLLF-UHFFFAOYSA-N 411.483 4.753 5 40 HJBB Cc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(C)c(C)sc2n1 5428739 OSCXUCHZZNHADP-UHFFFAOYSA-N 413.484 4.867 5 40 HJBB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 4177239 RMKPVCUPXRAUOI-JTHBVZDNSA-N 401.422 4.846 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 5151254 OAXPWBMPIBIYDZ-CQSZACIVSA-N 413.481 4.572 5 40 HJBB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 9332600 DZXFEXQRZVIEGD-UHFFFAOYSA-N 416.393 4.573 5 40 HJBB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9365008 YLKDPVKHJOJBMN-UHFFFAOYSA-N 412.452 4.590 5 40 HJBB CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4691508 PYGYHKAPQYWSAV-NSHDSACASA-N 403.485 4.723 5 40 HJBB O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16450627 HXHGYWXQLWQPBY-UHFFFAOYSA-N 424.463 4.591 5 40 HJBB O=C(O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 226768847 DVEXYCDBXKCOLV-UHFFFAOYSA-N 410.769 4.850 5 40 HJBB O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409176488 OXZYTDLVBGXMBR-UHFFFAOYSA-N 408.366 4.581 5 40 HJBB COc1cc(Br)c(C(=O)CC[N+](C)(C)Cc2ccccc2C)cc1OC 3039309 RBIJKNVFBUOCBU-UHFFFAOYSA-N 421.355 4.624 5 40 HJBB Cc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1[N+](=O)[O-] 9867344 AAIFEWZAWGDHTJ-UHFFFAOYSA-N 420.446 4.890 5 40 HJBB CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24522556 IZUCGDDHQMDCNZ-SFTDATJTSA-N 410.470 4.646 5 40 HJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 27663832 KWPAHNPDBQNRSQ-INIZCTEOSA-N 409.269 4.723 5 40 HJBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] 817477 ZERAXQQALYYLPJ-UHFFFAOYSA-N 402.410 4.789 5 40 HJBB aggregator O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 20141115 BEPVXHYNQGOZAG-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB COc1ccc(-c2ccc(C(=O)n3c(C)c(C(=O)O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767842 VANWHAJXOOTMPU-UHFFFAOYSA-N 420.377 4.513 5 40 HJBB COc1ccc([C@@H](OC)c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)cc1OC 12902282 BEASPGXVZCQOJS-HSZRJFAPSA-N 406.434 4.713 5 40 HJBB biogenic CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Br 17092883 CGCZVIGKLHYZST-UHFFFAOYSA-N 422.260 4.618 5 40 HJBB CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 34930165 USDDCPGMVKJXHU-UHFFFAOYSA-N 420.263 4.738 5 40 HJBB Cc1c(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] 35682915 WINBNZVVLJMJJW-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br 215047976 UXTXHWPLBODXMJ-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc([N+](=O)[O-])cc1Cl 14376698 LTCUXLKZKZTMQE-UHFFFAOYSA-N 404.791 4.532 5 40 HJBB Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cccc1[N+](=O)[O-] 14649528 FTNBETSJCQAQBB-UHFFFAOYSA-N 421.291 4.981 5 40 HJBB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17090424 OAFYCCAMEWURFE-UHFFFAOYSA-N 415.858 4.943 5 40 HJBB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1[N+](=O)[O-] 4079150 MUEMVLCGARUDRM-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB CC(C)COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1 4526206 VRSUYBOXBPCTRN-STZFKDTASA-N 424.497 4.862 5 40 HJBB Cc1ccc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1[N+](=O)[O-] 7160645 OYUPMGOUDZCNLK-UHFFFAOYSA-N 407.373 4.840 5 40 HJBB CCOC(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 16682967 LACCNRIPLSHNBK-UHFFFAOYSA-N 420.428 4.832 5 40 HJBB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992552 XSWQUESMFUQWIW-CYBMUJFWSA-N 418.478 4.871 5 40 HJBB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 503147904 RYYFFZMDTPQRCX-LJQANCHMSA-N 402.519 4.752 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 687047 PCILEUYYNJVEEN-JTQLQIEISA-N 422.890 4.864 5 40 HJBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 16161706 WJOARFNBPJBGBW-RTWAWAEBSA-N 410.470 4.646 5 40 HJBB COc1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 20897751 YCBUOIZITKHGEZ-UHFFFAOYSA-N 402.410 4.933 5 40 HJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 3194337 CWVYTNKXAIDZTP-UHFFFAOYSA-N 410.451 4.681 5 40 HJBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 20610986 CPBOUPWZLBCQHY-UHFFFAOYSA-N 421.844 4.851 5 40 HJBB C[C@@H]1CCCN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)C1 35313199 GIGMIRPWSWBFCJ-CYBMUJFWSA-N 408.552 4.743 5 40 HJBB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40112933 ZVIFHLGOXIHHAM-INIZCTEOSA-N 404.897 4.556 5 40 HJBB O=[N+]([O-])c1c(O)nc(/C=C\c2cn(Cc3ccccc3Cl)c3ccccc23)nc1O 409329202 BYJHWCVMKATCLQ-KTKRTIGZSA-N 422.828 4.623 5 40 HJBB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409363622 WZZIQVVLXZUAHV-UDWIEESQSA-N 418.430 4.667 5 40 HJBB CCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])cc1 5180591 HRDBHQDZQAVLDF-UHFFFAOYSA-N 400.826 4.506 5 40 HJBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 20411788 HJEBGRNENOBXCD-UHFFFAOYSA-N 419.846 4.675 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2405491 JOWVYLRGKWXVHD-UHFFFAOYSA-N 421.863 4.795 5 40 HJBB O=S(=O)(O)c1ccc2c(Br)c3ccccc3c(Br)c2c1 2562364 GKVAYKWWVFDEOJ-UHFFFAOYSA-N 416.090 4.765 5 40 HJBB in-vitro CCC(=O)Nc1nc(-c2ccc(Br)cc2)nc2c1c(=O)oc1ccccc12 3620383 OGCRTLUYUAFXQQ-UHFFFAOYSA-N 424.254 4.514 5 40 HJBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 4273149 UEQOMVPRFZIULA-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB C[C@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 6248370 ADWHVXASXSBOKI-AWEZNQCLSA-N 411.483 4.798 5 40 HJBB C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40111962 BCRIRDZPPWNLIT-INIZCTEOSA-N 404.897 4.556 5 40 HJBB CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(OC)ccc3nc21 5572746 TZQSWQUZGYGIKX-UHFFFAOYSA-N 419.441 4.554 5 40 HJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(C(=O)O)ccc1Cl 20145308 UEQCPVPJPRVJMV-JXMROGBWSA-N 412.785 4.858 5 40 HJBB C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 32936807 SOZSYOWPQIQANK-ZETCQYMHSA-N 400.744 4.610 5 40 HJBB O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 409127323 CVKXRDNUUJNFLQ-SFQUDFHCSA-N 402.859 4.917 5 40 HJBB O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1 409190429 MZSWRNJEEODKHY-AWNIVKPZSA-N 411.222 4.848 5 40 HJBB Cc1ccc(C2=NN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 7979188 FCAPCBZSALTPJI-FQEVSTJZSA-N 419.437 4.561 5 40 HJBB COc1ccccc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12550873 PFBJAQGLLXPUQR-QGZVFWFLSA-N 406.364 4.557 5 40 HJBB Cc1cc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] 12628958 WCHDDUKYLQBBPD-FQEVSTJZSA-N 414.465 4.504 5 40 HJBB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc(Cl)c21 31871389 FZMHYOGJEPHJLG-SECBINFHSA-N 409.225 4.609 5 40 HJBB CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537817 PCRLSNKGWZKCDY-UHFFFAOYSA-N 412.486 4.851 5 40 HJBB Cc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1 408731800 PWQULLQJNMSLPC-UHFFFAOYSA-N 424.550 4.880 5 40 HJBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(Cl)cc1[N+](=O)[O-] 11523995 ZDCOLTYGAPHRON-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 218051556 XTYSXHYECKQCRM-SFHVURJKSA-N 400.500 4.555 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 10254249 NKKUDEKKEWIZLA-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 222709359 DPQMJULSCUARIY-IWMITWMQSA-N 419.510 4.760 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222856725 LWGYRNGQYHWEJA-WOJBJXKFSA-N 408.483 4.631 5 40 HJBB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC 409061361 WJESRBPIBCZOTQ-PXNMLYILSA-N 420.830 4.506 5 40 HJBB COc1ccc(NC(=O)c2ccccc2Br)c2nc3ccccc3nc12 5447224 PZQIGLMODKEEJX-UHFFFAOYSA-N 408.255 4.806 5 40 HJBB COC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n12 12417592 WFTMISDBVJREOZ-UHFFFAOYSA-N 421.400 4.613 5 40 HJBB O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccc(O)cc23)n1-c1ccc([N+](=O)[O-])cc1 57462953 BRTVOZNERZHERO-LFYBBSHMSA-N 424.416 4.651 5 40 HJBB COc1c(C(=O)Nc2ccccc2[N+](=O)[O-])cc2ccccc2c1Br 408623406 TYDGDRNSVLWCJY-UHFFFAOYSA-N 401.216 4.771 5 40 HJBB CCCCn1c2ccccc2n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nnc12 575410689 ACBXIXUAUPWZOQ-UHFFFAOYSA-N 421.486 4.561 5 40 HJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1OC 60033036 UUKZPAYOCQJHIF-UHFFFAOYSA-N 423.425 4.750 5 40 HJBB Cc1nc([N+](=O)[O-])c(SCC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1 27246910 OIGOBURFCYLCFI-UHFFFAOYSA-N 401.875 4.776 5 40 HJBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222978737 DHTKQBVLAOIJOU-SFTDATJTSA-N 421.526 4.553 5 40 HJBB Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)c1 409093611 ASKKIHYADPJPLL-UHFFFAOYSA-N 403.467 4.838 5 40 HJBB Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 14696188 OOPGUYBSGXCJCE-ZHACJKMWSA-N 412.496 4.699 5 40 HJBB Cc1ccc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2n1 16348872 NHHPDMGPBUCVPV-UHFFFAOYSA-N 404.470 4.940 5 40 HJBB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 27348615 UPJIKPGTGPBWTA-MRXNPFEDSA-N 423.256 4.537 5 40 HJBB C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398831 GYTRAJVVXCVVPT-KOSHJBKYSA-N 413.521 4.705 5 40 HJBB CC(C)n1cc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 89894059 JMEIFNOFCCZZNI-UHFFFAOYSA-N 402.458 4.837 5 40 HJBB Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c2[nH]c2ccccc23)cc1 5553337 XGGWJLAFGPVUGX-UHFFFAOYSA-N 412.474 4.658 5 40 HJBB Cc1c(C(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 11757726 QBWPEBOTRGJWDO-UHFFFAOYSA-N 423.416 4.667 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@H](c3ccc(C)cc3)C[C@@H]21 19171730 LFNIEMJFVXENHE-AWRGLXIESA-N 417.465 4.996 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2[N+](=O)[O-])CC1 16027676 OIXPECQOSGKGAG-UHFFFAOYSA-N 418.291 4.846 5 40 HJBB COc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2cc([N+](=O)[O-])ccc21 12560873 NBZXMJGVHJVVDO-UHFFFAOYSA-N 419.462 4.917 5 40 HJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 408556605 JSDHVQNFQHUOGD-UHFFFAOYSA-N 421.453 4.541 5 40 HJBB S=C(NCCC1=CCCCC1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 409002082 SJCAPLKWRWZYRF-UHFFFAOYSA-N 420.538 4.731 5 40 HJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)c1 2300922 WVPRSTHRDNIUBW-UHFFFAOYSA-N 421.460 4.542 5 40 HJBB CCCCn1c(-c2ccc(OC)cc2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2443775 PWYQHDCXEPLRFQ-UHFFFAOYSA-N 410.857 4.632 5 40 HJBB Cc1nc(COc2cccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 12866686 LGPQVIPKUOCEMC-CQSZACIVSA-N 411.483 4.772 5 40 HJBB CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1C1CCCCC1 793613 GHXNGRRFVNJMAC-CQSZACIVSA-N 417.535 4.682 5 40 HJBB Cc1ccc(C)c(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 837014 POIOSNSDEAGNPI-INIZCTEOSA-N 416.692 4.750 5 40 HJBB CCCCc1nc2c(c(=O)c(C)nn2-c2ccc(Cl)cc2)c2nc3ccccc3n12 5207054 GTBONFUFMIDXMO-UHFFFAOYSA-N 417.900 4.886 5 40 HJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1[N+](=O)[O-] 408994454 GCKVIAYEECHNHX-TZYHBYERSA-N 417.421 4.983 5 40 HJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 2247778 HXFNVIAWTOGGNQ-UHFFFAOYSA-N 409.493 4.961 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2256564 LZPZKYNTXYDZBS-UHFFFAOYSA-N 421.863 4.732 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 408623968 AAZHLWOROPUWHI-UHFFFAOYSA-N 405.907 4.981 5 40 HJBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2OCC[C@H]12 409189983 PAKOWZLXJNKFRP-NXOUGTEYSA-N 405.248 4.610 5 40 HJBB Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1677980181 HFNPRIQSBUEKQO-UHFFFAOYSA-N 407.764 4.869 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3oc2c1 2433723 JDMYFTWSWKRFFC-UHFFFAOYSA-N 424.456 4.785 5 40 HJBB CCCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 4037649 KWFZQPGGYVACJP-XYOKQWHBSA-N 414.458 4.833 5 40 HJBB biogenic O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)c1 4969984 RPOLUEIMUATWCG-UHFFFAOYSA-N 410.389 4.878 5 40 HJBB COc1c([N+](=O)[O-])cc(NC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 20528542 UKJLHUCJGRMCGR-UHFFFAOYSA-N 407.791 4.632 5 40 HJBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cc4ccccc4nc3N3CCOCC3)nc12 23329831 OEODCIAYIPVOSL-PKNBQFBNSA-N 412.449 4.698 5 40 HJBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(C(C)C)s2)cc1 30597531 BRXSWXDYIXYLOY-UHFFFAOYSA-N 414.443 4.623 5 40 HJBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccccc1Cl 1379025 CLWIDSIREQRJNU-UHFFFAOYSA-N 416.846 4.518 5 40 HJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 27663834 KWPAHNPDBQNRSQ-MRXNPFEDSA-N 409.269 4.723 5 40 HJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)c1ccccc1F 58014246 VLDBEZRMNZWMLP-UHFFFAOYSA-N 423.444 4.777 5 40 HJBB O=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1410693 JYCDCCLVDOMNIF-UHFFFAOYSA-N 415.037 4.511 5 40 HJBB COCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 409104165 FYHWNIGLJCJXRJ-UHFFFAOYSA-N 424.404 4.670 5 40 HJBB Cc1cc(C)c2oc(-c3ccco3)c(OC(=O)c3ccccc3[N+](=O)[O-])c(=O)c2c1 1287518 CAWSACUZSJSWRD-UHFFFAOYSA-N 405.362 4.797 5 40 HJBB CCCOC(=O)c1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2160513 KIEAKIOLYBEAAL-UHFFFAOYSA-N 415.445 4.870 5 40 HJBB biogenic CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 2424848 PSQMNPGIZQLAGO-HNNXBMFYSA-N 413.481 4.572 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N4CCCC[C@@H]4C)c([N+](=O)[O-])c3)n2)cc1OC 8586925 ULZKHFMBYMPRTQ-AWEZNQCLSA-N 424.457 4.708 5 40 HJBB Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 409193110 BWMRMSJGGTUGAS-UZYVYHOESA-N 405.838 4.504 5 40 HJBB COC(=O)c1sccc1NC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1 3051028 OYGBFLSOGCQCOS-UHFFFAOYSA-N 404.425 4.549 5 40 HJBB Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c([N+](=O)[O-])cc1C 5850694 ANWVFRPCQNLNTH-UHFFFAOYSA-N 402.501 4.564 5 40 HJBB Cc1cccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)c(=O)[nH]c12 9019655 ISKGZCGKJNJUAX-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB CC[C@H](C)Oc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 10010643 CDFOBQQCHJRNPS-NSHDSACASA-N 401.444 4.643 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3Cl)nc21 6815191 BPDFVSKWNYBNML-UHFFFAOYSA-N 413.864 4.558 5 40 HJBB Cc1cc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)ccc1[N+](=O)[O-] 8902735 GAZFWXGXIKVSPL-UHFFFAOYSA-N 422.422 4.611 5 40 HJBB CC(C)(C)c1ccc(O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12543106 SZIGYIKQDNCQBD-UHFFFAOYSA-N 400.478 4.797 5 40 HJBB COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 14132087 QRPGALINGXADCM-UDWIEESQSA-N 420.446 4.993 5 40 HJBB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(O)o1 138468930 YTSKLXJSTGYIHS-LJQANCHMSA-N 408.435 4.920 5 40 HJBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 408557721 OMJNGJCIVSJPFN-UHFFFAOYSA-N 421.453 4.623 5 40 HJBB O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1ccco1 1405342 YZTKFSZZMJECGT-UHFFFAOYSA-N 417.377 4.952 5 40 HJBB O=C(/C=C/c1cccs1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12600649 BJFDHNPXFQERSU-VOTSOKGWSA-N 400.437 4.735 5 40 HJBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 57316994 HUGFYXIVWRXILL-UHFFFAOYSA-N 401.216 4.547 5 40 HJBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408802403 ZVWAXOKHPXOENA-UHFFFAOYSA-N 410.406 4.757 5 40 HJBB O=C(N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 836682 UTILHPSTCURICO-CQSZACIVSA-N 424.067 4.753 5 40 HJBB COc1c(O)ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] 1007338 UHSZQIAOIGVZGC-YCRPNKLZSA-N 423.450 4.613 5 40 HJBB CC(C)(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2[nH]1 12740986 CPSKENWJSRZIMC-UHFFFAOYSA-N 424.504 4.967 5 40 HJBB COc1cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2cc1OC 15391404 VBFSBZJQOUBDFD-UHFFFAOYSA-N 415.452 4.689 5 40 HJBB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 409029219 WRQTVVXNGGDZRJ-UHFFFAOYSA-N 403.262 4.704 5 40 HJBB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1[N+](=O)[O-] 20142475 WULKBTMMLRQDEM-UHFFFAOYSA-N 416.817 4.652 5 40 HJBB CCCCc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1 2723726 DUTHVFZEWSNAEX-UHFFFAOYSA-N 410.499 4.854 5 40 HJBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2c2ccccc12 19418891 DDIVWFHNFPQGLW-UHFFFAOYSA-N 401.462 4.574 5 40 HJBB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 248248384 NRBHIPHDBAYPRG-GAMLAWPCSA-N 408.454 4.687 5 40 HJBB CCc1cccc2c(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c12 6555913 YPOSLJZEDVYPSY-VCHYOVAHSA-N 407.451 4.875 5 40 HJBB Cc1c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cccc1[N+](=O)[O-] 8860157 XAIZBKXTVXFSFI-UHFFFAOYSA-N 420.903 4.953 5 40 HJBB aggregator COc1cccc(NC(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)c1 8878916 PAOLSGIBVODOIG-UHFFFAOYSA-N 419.440 4.853 5 40 HJBB biogenic CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12512618 PFDWUZVSFLODML-UHFFFAOYSA-N 422.312 4.777 5 40 HJBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@@H]3C=C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 104282957 WOIFGKFONXIBLL-IWLYJEGESA-N 416.433 4.887 5 40 HJBB Cc1cccc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1[N+](=O)[O-] 12909108 CATBAPLFHGBTRI-UHFFFAOYSA-N 403.482 4.562 5 40 HJBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1Cl 20141104 BZDTYFDLYJRCOX-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 40112744 DOLSYIXWEYTKGF-GOSISDBHSA-N 414.505 4.819 5 40 HJBB Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1 3027714 MQERSRSBGSQPSG-UHFFFAOYSA-N 413.260 4.886 5 40 HJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 5298391 IZUUYJGCYFOOEL-UHFFFAOYSA-N 410.430 4.926 5 40 HJBB COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1csc(C)n1 13018686 UUIDZLUKVCXBEU-UHFFFAOYSA-N 413.455 4.508 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CSC3)cc1 2483557 CCNSLCYKSTUDBN-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 5407908 UJCYVQXOBZUYPL-LJQANCHMSA-N 404.850 4.537 5 40 HJBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc(-c3ccccc3)cs2)n1 12441723 LCFMNVMNNACOLY-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB O=C(Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1)c1ccccc1[N+](=O)[O-] 16750764 AKIVWTJOPWMCPK-UHFFFAOYSA-N 411.366 4.788 5 40 HJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 214938342 CTTVRLPGUIAHQV-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB CCOc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408572404 RASWSNHKZSNOFE-SFHVURJKSA-N 418.906 4.738 5 40 HJBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 9031801 QPFMMPZQICEPSS-UHFFFAOYSA-N 413.345 4.610 5 40 HJBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1C(F)(F)F 9465082 DIFUGBJZBUFRFP-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB CCN1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 13633062 GHSPPSGUPHZLMG-QZGUCNERSA-N 412.578 4.754 5 40 HJBB O=C(Cc1c(SCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1 3668816 VGSQGBYEPVRCAV-UHFFFAOYSA-N 423.450 4.977 5 40 HJBB Cc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 10254271 FPRLNBSGCSYGKX-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB O=C(NCCSCc1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408924346 GZQKKZMOFMDZGA-RCCKNPSSSA-N 408.479 4.778 5 40 HJBB O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(O)c1 5376179 BAXJRAXTVGOTKH-WQRHYEAKSA-N 408.391 4.801 5 40 HJBB CCN(C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc2ccccc12 6053974 YEOLYTCTHBYFBF-UHFFFAOYSA-N 412.829 4.611 5 40 HJBB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12257999 GENYOXNDXVDHHZ-UHFFFAOYSA-N 407.426 4.515 5 40 HJBB C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 30835698 HRFLHXWXJJMLHF-HNNXBMFYSA-N 408.479 4.548 5 40 HJBB CCOc1ccccc1N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 57945217 FAOUIVVVSUMNNF-UHFFFAOYSA-N 414.505 4.667 5 40 HJBB Cc1ccc(CN(CCc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])s1 5407658 BYWGVYLKAPCFDZ-UHFFFAOYSA-N 410.495 4.615 5 40 HJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 6083485 AJTNUMPYNLLMFC-NSHDSACASA-N 415.799 4.726 5 40 HJBB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 10732130 UOUHATAZLBMRPG-SNVBAGLBSA-N 420.878 4.643 5 40 HJBB O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Br)cc1 13810213 JQXDRSVUJDHXIG-UHFFFAOYSA-N 422.238 4.723 5 40 HJBB CC(C)(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 28290686 WJZZIZUREVDRPH-UHFFFAOYSA-N 419.481 4.900 5 40 HJBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 36636375 IKPBUGXIJBOERO-UHFFFAOYSA-N 414.676 4.517 5 40 HJBB CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409089534 NZIWIBVMTIYEFB-ZSOIEALJSA-N 423.244 4.674 5 40 HJBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 9806143 DYQMZRHRTUBSJV-UHFFFAOYSA-N 419.466 4.538 5 40 HJBB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 12553915 ZICCRQQPZRBVME-CQSZACIVSA-N 421.419 4.707 5 40 HJBB CC(=O)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2236213 ULAGASOVVDSSCP-UHFFFAOYSA-N 409.405 4.747 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12923122 VDWPFIPHCXOYGN-UHFFFAOYSA-N 417.874 4.773 5 40 HJBB O=[N+]([O-])c1ccn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)n1 17090411 NUONOADOZVTRBL-UHFFFAOYSA-N 415.787 4.759 5 40 HJBB O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5897376 NMYGNCYQSQUUHM-UHFFFAOYSA-N 414.465 4.661 5 40 HJBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142600 JJFARYHYCZPTOF-UHFFFAOYSA-N 421.453 4.590 5 40 HJBB O=C(O)C[C@@H](Nc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 1307419 RWOMTKFEFCKWPY-HXUWFJFHSA-N 414.421 4.833 5 40 HJBB COCCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 3293476 VSPBUFPLCSRXOK-UHFFFAOYSA-N 418.906 4.836 5 40 HJBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 4134793 IUJFGCVYQMBNPT-VAWYXSNFSA-N 414.483 4.754 5 40 HJBB Cc1c(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cccc1[N+](=O)[O-] 10845192 AWODGPAYGVGMGM-UHFFFAOYSA-N 422.407 4.573 5 40 HJBB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 24871132 HTOGDUNFZRNFQD-CYBMUJFWSA-N 403.504 4.783 5 40 HJBB CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 32316011 WKDMMPHZJQRSCW-GOSISDBHSA-N 410.301 4.715 5 40 HJBB C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398761 XRZJMGCZMKEROC-QZTZHPFYSA-N 413.521 4.757 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 4646553 BDUFUQIAYRITOM-LBPRGKRZSA-N 402.472 4.599 5 40 HJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 9063452 DTKRZHFQXZUVBH-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)cc2c1 9281861 AVUZLIJMYHAQPQ-UHFFFAOYSA-N 419.481 4.720 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(Br)c1O 4014256 JVZFRDKQDQVTSM-UHFFFAOYSA-N 406.019 4.622 5 40 HJBB COCCCNc1cc2oc3cc(C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 4834758 AKZNVTSEEMOJLR-UHFFFAOYSA-N 414.461 4.698 5 40 HJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5533836 UWKLXMXGNBFCEZ-UHFFFAOYSA-N 412.511 4.863 5 40 HJBB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c2cccnc12 12522201 DROUUUNOMOGLKY-UHFFFAOYSA-N 405.241 4.525 5 40 HJBB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc([N+](=O)[O-])s1 16044012 HCUUHWJXTVZXLS-HXUWFJFHSA-N 415.398 4.760 5 40 HJBB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1cccc([N+](=O)[O-])c1 16768661 YFRDFBRIBPDUKY-UHFFFAOYSA-N 416.462 4.861 5 40 HJBB C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12 102203697 VPKZZSFJSAQQRN-PCIORBNZSA-N 407.319 4.908 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 5234091 PPMQYRVHLUOKQO-UHFFFAOYSA-N 403.799 4.915 5 40 HJBB COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 8941092 HYQFMXDZZOBGDM-IBGZPJMESA-N 407.451 4.656 5 40 HJBB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 9129498 BPVSNAKMWFKDPJ-UHFFFAOYSA-N 421.581 4.864 5 40 HJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(OC)cc1 224601308 MGHQXUXFYDCVFR-UHFFFAOYSA-N 422.437 4.833 5 40 HJBB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 5862682 KEDBICKDFXBKKY-UHFFFAOYSA-N 404.875 4.629 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1OC(F)(F)F 12527479 XQNIZZREXXFTSD-UHFFFAOYSA-N 412.367 4.692 5 40 HJBB Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2cc(C)cc(C)c2)cc1 2210293 UYRCOUGLBUOZOJ-UHFFFAOYSA-N 421.500 4.830 5 40 HJBB O=c1c2ccccc2nc2nc(-c3ccccc3)c3cc(Br)ccc3n12 3042579 YKFNMJLDRSEPGN-UHFFFAOYSA-N 402.251 4.825 5 40 HJBB COCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2oc3ccccc3c(=O)c2c1=O 2340529 PJZJBSNCHPDDSS-UHFFFAOYSA-N 418.493 4.504 5 40 HJBB Cc1c(C(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 11757740 WTNMTNMSANYPKP-UHFFFAOYSA-N 423.416 4.667 5 40 HJBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 20610555 JACRMJKGOHLQGX-UHFFFAOYSA-N 401.426 4.704 5 40 HJBB Cc1nc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 3440218 RPEDBYQVLTUBOP-UHFFFAOYSA-N 416.842 4.601 5 40 HJBB CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)c1c[nH]c2ccccc12 15670860 FNCOMGZKSPISGR-XMMPIXPASA-N 415.449 4.703 5 40 HJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2263010 XMMBUVBHGDTTAU-UHFFFAOYSA-N 411.509 4.955 5 40 HJBB CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1 12892990 OIUUTAMGPXVRKS-UHFFFAOYSA-N 410.857 4.875 5 40 HJBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br 33718050 CGIJQVKVFMACNY-UHFFFAOYSA-N 404.264 4.518 5 40 HJBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 5017796 XLLAJOHJKNVACK-UHFFFAOYSA-N 400.390 4.697 5 40 HJBB Cc1cc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 32925167 AWZCZEZCQUVTLK-MRXNPFEDSA-N 403.438 4.647 5 40 HJBB COc1ccc(CNc2nnc(SCc3cccc([N+](=O)[O-])c3C)s2)cc1 40127814 YQYISZJISJITJW-UHFFFAOYSA-N 402.501 4.668 5 40 HJBB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408625617 XRIFXFFZVIAYMN-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB Cc1ccc(Cl)cc1-n1nnnc1[C@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 4042548 FUHDOFDRPLYNEW-HXUWFJFHSA-N 420.860 4.734 5 40 HJBB COc1ccc2c(=O)c3c(nc(-c4ccccc4F)n4c5ccccc5nc34)oc2c1 5209092 FDGPEVHLCGUHRA-UHFFFAOYSA-N 411.392 4.957 5 40 HJBB Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] 6846520 JMUPSVNXWGHLDX-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB Cc1ccc(-c2csc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])n2)cc1 8120128 XDVWMWNSMSGWSV-UHFFFAOYSA-N 406.510 4.581 5 40 HJBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc([N+](=O)[O-])c1O 408557930 QQWBSTQAHHZQAH-UHFFFAOYSA-N 401.644 4.727 5 40 HJBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccccc1 409205131 MIQLCPLHSOQNEJ-VZCXRCSSSA-N 401.875 4.619 5 40 HJBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866115 PSXXBWUPABKVLO-UHFFFAOYSA-N 405.454 4.992 5 40 HJBB Cc1nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1Br 10372853 XPBPGALLNJLDSD-UHFFFAOYSA-N 404.264 4.511 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40130839 ZGBIGGMZCPQMDB-UHFFFAOYSA-N 423.473 4.541 5 40 HJBB Cc1c(C(=O)Nc2cnn(Cc3c(Cl)cccc3Cl)c2)cccc1[N+](=O)[O-] 672976 KMIBCYXUPMMRNZ-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 14114126 UUFJRSNKIURDKQ-UHFFFAOYSA-N 400.456 4.509 5 40 HJBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC 19929377 QLFBRYBXLVDZJI-UHFFFAOYSA-N 404.879 4.828 5 40 HJBB COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 8941099 HYQFMXDZZOBGDM-LJQANCHMSA-N 407.451 4.656 5 40 HJBB COc1ccc(C(=O)c2c3nc(C)n4c5ccccc5nc4c3c3ccccn23)cc1 31848409 JTLXFFIVHPQOHV-UHFFFAOYSA-N 406.445 4.836 5 40 HJBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(F)cc1 408561086 GLQKDHFBXOREPN-LNVKXUELSA-N 413.474 4.977 5 40 HJBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 8857464 BNMRVSAEDDIWKL-UHFFFAOYSA-N 422.190 4.762 5 40 HJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 13389631 PVDVWXUACDYFJW-UHFFFAOYSA-N 421.254 4.791 5 40 HJBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 14109870 NXHPDJWTYDYIOQ-UHFFFAOYSA-N 416.846 4.582 5 40 HJBB Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 89558948 OFNOBHXLFATSHK-CYBMUJFWSA-N 401.492 4.726 5 40 HJBB CC(C)Sc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408748613 BCFQELTVBGLIHN-UHFFFAOYSA-N 417.468 4.656 5 40 HJBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 830198 KNFSIQWWBQGNQT-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 13546665 NWGMWDLBDNVMEO-LFIBNONCSA-N 409.785 4.606 5 40 HJBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 59212936 PQAIASBKZXXOBO-UHFFFAOYSA-N 418.862 4.646 5 40 HJBB COc1ccccc1Cn1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 5054827 LHDUFCRUWPOEEV-UHFFFAOYSA-N 411.421 4.612 5 40 HJBB COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cnc2Nc2nc(C)cc(C)n2)cc1 10381850 BBQOOPKBZAURPW-UHFFFAOYSA-N 416.441 4.607 5 40 HJBB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 26926251 AJJQWHMFHXCOKB-QGZVFWFLSA-N 417.465 4.609 5 40 HJBB Cc1sc2ncn3nc(COc4ccc([N+](=O)[O-])cc4)nc3c2c1-c1ccccc1 2792265 WXUJGQZMWRDRDO-UHFFFAOYSA-N 417.450 4.802 5 40 HJBB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 4858263 VTKZDTUTWZFSRQ-GMAHTHKFSA-N 401.422 4.846 5 40 HJBB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 12921180 RLTNEMBPUNRPLF-FQEVSTJZSA-N 413.524 4.612 5 40 HJBB CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087342 CLUOFJRCZAFXOE-UHFFFAOYSA-N 417.874 4.756 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 59500394 GUZQUGHRGNYXBL-QQNJPBSNSA-N 424.456 4.556 5 40 HJBB biogenic O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4868271 NDVUIZIHVQOUFB-UHFFFAOYSA-N 411.792 4.702 5 40 HJBB Cc1c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 12927056 ICQKHXMSDWNONN-QFIPXVFZSA-N 407.495 4.551 5 40 HJBB CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 59210971 KGSRHQHTGKIYQZ-UHFFFAOYSA-N 413.655 4.591 5 40 HJBB Cc1c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cccc1[N+](=O)[O-] 40127338 BNOIKFVEQXOOQY-UHFFFAOYSA-N 417.494 4.897 5 40 HJBB Cn1c([C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 79061575 USWPJYDBYRPRQM-MRXNPFEDSA-N 401.264 4.586 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222937116 GDHVSPUJSXAFGL-NHCUHLMSSA-N 422.510 4.878 5 40 HJBB CC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 408564609 YOGOTIOGFRRXJI-HYARGMPZSA-N 401.422 4.733 5 40 HJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1cccs1 11614636 FDIKOGXLCXHVAR-HXUWFJFHSA-N 418.518 4.505 5 40 HJBB CCCCOc1ccc(CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1[N+](=O)[O-] 26806991 VOEJAVQDEJMPKS-UHFFFAOYSA-N 414.487 4.860 5 40 HJBB Cc1c(CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] 59017078 LEAMQAODTMCWJI-QFIPXVFZSA-N 415.449 4.609 5 40 HJBB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 65322272 UCLHFJBFJTUGPS-UHFFFAOYSA-N 421.501 4.764 5 40 HJBB CCCCOCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 72288267 PYTAUVMAJZUQBB-UHFFFAOYSA-N 421.291 4.821 5 40 HJBB CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408577171 YQGUTBVCYBSJQW-KRWDZBQOSA-N 404.492 4.547 5 40 HJBB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8928045 IRRMBPAWXGFCAY-IBGZPJMESA-N 424.482 4.723 5 40 HJBB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 24929769 ZIZGSRCYIGERPK-UHFFFAOYSA-N 401.831 4.559 5 40 HJBB CC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 28498727 CXWUNNRKWRZELK-UHFFFAOYSA-N 415.493 4.709 5 40 HJBB CCOc1ccccc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408571353 OLPMGUYZKPUYJA-HXUWFJFHSA-N 412.515 4.701 5 40 HJBB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 12989473 DBVVBPJEYXCDSS-FQEVSTJZSA-N 417.893 4.813 5 40 HJBB COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Br 72229478 QIEWKDLBCGFBBE-UHFFFAOYSA-N 420.046 4.925 5 40 HJBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 106681785 SUTIAZGJZBSJRH-DHDCSXOGSA-N 419.256 4.594 5 40 HJBB O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 1724812 ZUWANASDNNHAPS-UHFFFAOYSA-N 406.394 4.701 5 40 HJBB O=C(COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 408617525 CNKXQBWPSIMMRE-UHFFFAOYSA-N 403.749 4.687 5 40 HJBB CC[N+](C)(CC)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6424771 COMNPYOVZNRIJP-DDTGHBGQSA-N 417.658 4.583 5 40 HJBB COc1cc2ccccc2cc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 10010606 RKUGVEFDPUAERY-UHFFFAOYSA-N 409.423 4.627 5 40 HJBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)c1cccs1 12814846 KPQICTAYQFZGTD-LJQANCHMSA-N 420.849 4.733 5 40 HJBB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)OC)C1 17093323 MVYIPDKFCZVYMS-SNVBAGLBSA-N 422.890 4.864 5 40 HJBB O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 211515702 WVIBIYNLYWFLMX-ZROIWOOFSA-N 403.803 4.516 5 40 HJBB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 4273208 JKFJQHGTWJIYSU-UHFFFAOYSA-N 408.439 4.602 5 40 HJBB CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 9136874 QMQDNMHLAZFTBJ-UHFFFAOYSA-N 420.425 4.890 5 40 HJBB O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 32915668 APLJEZCUCDSHIY-UHFFFAOYSA-N 420.309 4.747 5 40 HJBB C[C@@H]1[C@@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2686049 INWAIRBJADEMBM-KAWXRDEMSA-N 423.416 4.794 5 40 HJBB O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 3008079 AZQIWAPSMLFLFK-UHFFFAOYSA-N 400.504 4.826 5 40 HJBB CSc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1[N+](=O)[O-] 32505439 ALVYXMXKEWSRDI-UHFFFAOYSA-N 414.483 4.630 5 40 HJBB COc1ccccc1OCCNC(=O)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408717895 OINUVLUUTRLZSY-UHFFFAOYSA-N 416.377 4.503 5 40 HJBB Cc1cccc2cc3c(N)c(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)sc3nc12 1223911 HNYXXYMZIIKCLG-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 8104506 UFROEQDYSWFHIS-LBPRGKRZSA-N 401.875 4.878 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 9603440 JPHVJVQUOXQURD-UHFFFAOYSA-N 422.437 4.680 5 40 HJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 12777537 CSDVIQXJQMBXRJ-CYBMUJFWSA-N 415.396 4.680 5 40 HJBB O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 32925075 GORPQKQWIRLIEJ-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 217941035 JTRXAGQKEBNGGS-YSFYHYPLSA-N 411.502 4.514 5 40 HJBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OC(C)C 225565154 AJMJJAYYUCRWTG-UHFFFAOYSA-N 412.486 4.686 5 40 HJBB COc1cccc([C@H]2CCCN2C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 25467901 PSKLWLXTMQZBOE-HXUWFJFHSA-N 409.486 4.571 5 40 HJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCc1ccccc1 224750174 MEFURSNOHQKCES-UHFFFAOYSA-N 406.438 4.963 5 40 HJBB O=[N+]([O-])c1cc2c(c(CSc3ncc(C(F)(F)F)cc3Cl)c1)OCOC2 3303522 HOLBAHDIRBIOHF-UHFFFAOYSA-N 406.769 4.821 5 40 HJBB COc1ccccc1Nc1nc(Nc2c(C)ccc3nsnc23)nc(C)c1[N+](=O)[O-] 16348812 KAONUAGKTWSVHP-UHFFFAOYSA-N 423.458 4.502 5 40 HJBB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-] 408628005 PHSSACOLRQRJLK-UHFFFAOYSA-N 402.410 4.707 5 40 HJBB Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3/C=C/C(=O)O)cs2)cc1 4051750 NQDFJAPLSBZEPY-RMKNXTFCSA-N 409.467 4.779 5 40 HJBB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 4540046 NFRVZHWJQFDIFO-OAQYLSRUSA-N 402.406 4.610 5 40 HJBB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 4854180 DRONVMYLHJOTNP-JTHBVZDNSA-N 401.422 4.846 5 40 HJBB COc1ccc2c(c1)-c1c(ccc(OC)c1O)C[C@@H](c1ccccc1)[N+](C)(C)CC2 5046490 RWFJZJRUTDAGGN-QHCPKHFHSA-O 404.530 4.993 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1 59294404 FCFVQPUJFWUMGI-UHFFFAOYSA-N 418.837 4.645 5 40 HJBB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 106701826 KZQUMVXAYUKLAW-MOSHPQCFSA-N 419.462 4.930 5 40 HJBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165924 MGBDEPZULOPKQZ-UHFFFAOYSA-N 416.330 4.971 5 40 HJBB Cc1nc(COc2ccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cs1 7068978 GCOUSMHKQQVCOC-CQSZACIVSA-N 411.483 4.772 5 40 HJBB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 13018030 CDCGNHPBDWDKQT-ZRDIBKRKSA-N 417.469 4.540 5 40 HJBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222978916 DHTKQBVLAOIJOU-NHCUHLMSSA-N 421.526 4.553 5 40 HJBB Cc1sc2ncn3nc(-c4ccc(COc5ccccc5[N+](=O)[O-])o4)nc3c2c1C 2791636 YURMINKJWUWIIW-UHFFFAOYSA-N 421.438 4.703 5 40 HJBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(C(F)(F)F)cc1 3390040 XLSSLZZUMMAKIC-LLVKDONJSA-N 415.799 4.726 5 40 HJBB O=C(Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40099103 JBQROFMAZDSVHN-UHFFFAOYSA-N 418.453 4.741 5 40 HJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 6024064 PZLHFPUNJCPWPV-UHFFFAOYSA-N 412.511 4.935 5 40 HJBB CC(C)n1c2ccccc2c2nnc(Sc3cc([N+](=O)[O-])c4nsnc4c3)nc21 12401768 QYMZRXFTYFTYHX-UHFFFAOYSA-N 423.483 4.625 5 40 HJBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 20411461 OFCMNZSHKKTHTL-UHFFFAOYSA-N 413.455 4.722 5 40 HJBB CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 33569867 DTEWWKJLONZMAZ-UHFFFAOYSA-N 405.823 4.586 5 40 HJBB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226768791 MWTFWBLJDSMMIR-UHFFFAOYSA-N 423.812 4.559 5 40 HJBB CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c(=O)c2ccccc21 2348456 JDZVZCPLLPRKFM-UHFFFAOYSA-N 413.433 4.849 5 40 HJBB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cc([N+](=O)[O-])ccc3Cl)NC(=O)CCN21 5216241 TUAVOUGISZUPSM-RCHCNPRSSA-N 411.889 4.584 5 40 HJBB COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c(OC)c1 9431156 YGZKJHIDQDXPQP-UHFFFAOYSA-N 400.390 4.680 5 40 HJBB COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)o2)c([N+](=O)[O-])c1 15277446 LCEWONTUGXDXJN-LICLKQGHSA-N 424.796 4.861 5 40 HJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 13946183 LOLAUZMDBLPEDS-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB CC(=O)c1ccc(SCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16321919 XMTFOLJPVNGXGG-UHFFFAOYSA-N 420.468 4.793 5 40 HJBB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3cccc([N+](=O)[O-])c3)oc12 101388911 MBRPMLDLGQVZHN-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409189777 IQAJVZRCIPRPCK-OQLLNIDSSA-N 420.830 4.593 5 40 HJBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409214663 ZJEPGTNLAYGCPK-OVCLIPMQSA-N 420.830 4.593 5 40 HJBB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)C1 2959655 UHKOLDNYBMZSOO-IYBDPMFKSA-N 404.539 4.632 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 8907804 KLXZMLSMQOQDMT-UHFFFAOYSA-N 401.271 4.782 5 40 HJBB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408680513 ZPFXQENAVUSZKK-UHFFFAOYSA-N 413.433 4.953 5 40 HJBB Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4o3)c(Br)n12 2483673 XWWIWLVOSMXVNR-UHFFFAOYSA-N 419.260 4.747 5 40 HJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c(-n2cccc2)sc2c1CCSC2 12895603 ZULANAYQIAZZBS-UHFFFAOYSA-N 403.460 4.628 5 40 HJBB CCC(=O)Oc1cn(CCc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 13228199 JWIRBIYVPAOYMS-UHFFFAOYSA-N 412.493 4.958 5 40 HJBB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 14792860 BNABTCSJBXLDPG-CQSZACIVSA-N 423.856 4.992 5 40 HJBB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 16399131 IGNYSCGSLLXZKD-YVLHZVERSA-N 412.760 4.992 5 40 HJBB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 408625153 XABBYQIXOVGOJL-UHFFFAOYSA-N 402.790 4.778 5 40 HJBB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c1 9443616 RLBWIFQOBTXTNU-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 38754503 KNTFDXDTSMGYCV-UHFFFAOYSA-N 414.508 4.829 5 40 HJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 39750209 CHAZROVURPQQCE-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB Cn1cnnc1-c1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 95428698 SBZNYJLBRWETQC-UHFFFAOYSA-N 419.416 4.934 5 40 HJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2318087 FTBHRTQXUSGVRF-UHFFFAOYSA-N 411.509 4.841 5 40 HJBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 4871967 UCOVRFHFHHQFHH-JTHBVZDNSA-N 401.422 4.846 5 40 HJBB CCCC(=O)Oc1cn(CCCOC)c2nc(CCC)n3c4ccccc4nc3c12 13238016 CQXNMATVLKKXKV-UHFFFAOYSA-N 408.502 4.532 5 40 HJBB O=[N+]([O-])c1cc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)ccc1Oc1ccc(F)cc1 102580921 ZGXIXIROCOJCLJ-HXUWFJFHSA-N 421.388 4.789 5 40 HJBB COc1c(O)ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[N+](=O)[O-] 8396756 UHSZQIAOIGVZGC-BTYIYWSLSA-N 423.450 4.613 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ccccc3s2)c1 8586739 KDKKLPZQHGQHRV-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40112169 OTMKVRRHLFPBTD-INIZCTEOSA-N 404.897 4.556 5 40 HJBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c([N+](=O)[O-])c1 4149625 JYOCLQXLGXNRPW-UHFFFAOYSA-N 402.366 4.933 5 40 HJBB COc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 4931130 SCXFQAUZWGZVBX-UHFFFAOYSA-N 408.439 4.540 5 40 HJBB COc1ccc(NC(=O)c2ccc(Br)cc2)c2nc3ccccc3nc12 5445724 CRYICBJDOIYFER-UHFFFAOYSA-N 408.255 4.806 5 40 HJBB Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 6653319 GOUDWQJDTCZWSA-UHFFFAOYSA-N 411.483 4.625 5 40 HJBB CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1ccc([N+](=O)[O-])cc1 9699404 PTLRLBMFDLPKQM-UHFFFAOYSA-N 424.526 4.956 5 40 HJBB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 13806614 SDEKCCGUIMBCOL-UHFFFAOYSA-N 416.393 4.573 5 40 HJBB Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] 17092709 LMUKTTGHFZHDDJ-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1 4679045 YLPJHCTWQJECAB-BZZOAKBMSA-N 415.405 4.834 5 40 HJBB CCc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c2oc3ccccc3c2n1 5478152 MEQXJYZHVKXDHT-UHFFFAOYSA-N 408.439 4.577 5 40 HJBB C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 12621138 UWKRAXYZCHAWRN-QMMMGPOBSA-N 417.632 4.739 5 40 HJBB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2[N+](=O)[O-])cc1 28288780 JTFKJBOKJOSSII-QHCPKHFHSA-N 415.449 4.946 5 40 HJBB O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 4168881 IVXTXTKDOXPLHH-UVUJQTEASA-N 402.475 4.644 5 40 HJBB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 5445355 AYURHDXCGSCGSK-UHFFFAOYSA-N 403.774 4.699 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1c(F)cccc1Cl 2483552 KFCKDUYDRZIIJT-UHFFFAOYSA-N 418.837 4.572 5 40 HJBB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 7688049 OHIGBHWOELPZES-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc([N+](=O)[O-])cc1 8435629 LOWNQZYOULNGSZ-UHFFFAOYSA-N 422.491 4.997 5 40 HJBB COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1OC(F)F 10509156 HBEVQZUZDWZAFU-ZZXKWVIFSA-N 412.776 4.819 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 11690493 WSLXIEKDCQBZHQ-HXUWFJFHSA-N 422.824 4.955 5 40 HJBB O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn12 100529976 OEWKVZBBLBZXES-UHFFFAOYSA-N 422.444 4.856 5 40 HJBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 12515495 QJHHAOSJEVUTNK-UHFFFAOYSA-N 404.850 4.632 5 40 HJBB Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CCCCC3)c(=O)[nH]c2c1 17194710 CUSBSPDTXDTXRF-UHFFFAOYSA-N 419.481 4.720 5 40 HJBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc([N+](=O)[O-])cc1 218051776 FBFSEVBAWFZAFR-GOSISDBHSA-N 400.500 4.555 5 40 HJBB O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)cc1 408555649 GXBOQTFKQKZEPX-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 1413968 JNOKLGFWUZXOAH-UHFFFAOYSA-N 417.421 4.983 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2410380 SXJMNFCCMXPCFE-AWEZNQCLSA-N 413.481 4.572 5 40 HJBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCCCC(=O)c1ccc(Br)cc1 2621975 YJWUENBOZFXPEQ-FMIVXFBMSA-N 418.243 4.577 5 40 HJBB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9441412 TYTATIRGVYUZGM-QMMMGPOBSA-N 417.632 4.739 5 40 HJBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1C 15544519 YWUDFYPZLTVZHA-QGZVFWFLSA-N 410.495 4.918 5 40 HJBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCCC1 408974967 GVPQPLWQYKLRQS-UHFFFAOYSA-N 407.477 4.896 5 40 HJBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2CC(C)C 2238719 BBAHQKDDLGCRSJ-UHFFFAOYSA-N 411.509 4.502 5 40 HJBB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 2737393 AHWBGNKFVPOBMC-LBPRGKRZSA-N 415.515 4.549 5 40 HJBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 72011683 HEOAKFUYVXMPRV-CQSZACIVSA-N 423.856 4.992 5 40 HJBB O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409180420 SHFPFCCKAWSFEU-JOCHJYFZSA-N 409.825 4.958 5 40 HJBB COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1 5299698 MBPTUYCCXPJFAZ-UHFFFAOYSA-N 409.423 4.653 5 40 HJBB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 33808188 FGAHGGUJLGWAGJ-UNOMPAQXSA-N 402.406 4.675 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 408623772 RYUWLAWHTAWSSK-UHFFFAOYSA-N 401.532 4.631 5 40 HJBB CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc12 3317765 DKMBVZUZWKWYCX-UHFFFAOYSA-N 412.829 4.611 5 40 HJBB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)s1 24355564 JXRONNPPXMNEAA-ZROIWOOFSA-N 404.810 4.575 5 40 HJBB O=[N+]([O-])c1cc2c(c(CSc3nc4ccc(C(F)(F)F)cc4[nH]3)c1)OCOC2 70021947 XSIWRCDVLHDFJF-UHFFFAOYSA-N 411.361 4.649 5 40 HJBB O=[N+]([O-])c1cc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)ccc1Oc1ccc(F)cc1 102580925 ZGXIXIROCOJCLJ-FQEVSTJZSA-N 421.388 4.789 5 40 HJBB O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)OCC12CC3CC(CC(C3)C1)C2 20436475 QWQGNYGVUXNZDH-UHFFFAOYSA-N 407.898 4.603 5 40 HJBB Cc1cccc(-c2nnc3sc(-c4ccc(-c5ccccc5[N+](=O)[O-])n4C)nn23)c1 67300023 DCODCBAMIFMZQQ-UHFFFAOYSA-N 416.466 4.742 5 40 HJBB CCC(=O)Nc1nc(-c2ccc(CC)cc2)nc2c1c(=O)oc1ccc(Cl)cc12 226762317 DGWBZFVXDUPRJD-UHFFFAOYSA-N 407.857 4.968 5 40 HJBB COc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc2c1Br 408622775 RLIKAQLCHWOBFC-UHFFFAOYSA-N 401.216 4.771 5 40 HJBB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17089033 TZJIUKIXFPDDIZ-FARCUNLSSA-N 411.639 4.671 5 40 HJBB Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 29292576 BIIVOKITJIAIRU-GFCCVEGCSA-N 418.375 4.599 5 40 HJBB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c(OC)c1 6887334 JJFDIUVQTCBAIH-FMIVXFBMSA-N 416.429 4.720 5 40 HJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc(Cl)cc1 8825945 HVKHBNALQBATAD-UHFFFAOYSA-N 418.824 4.718 5 40 HJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12 226766972 ROWNNCUHVZCOIM-UHFFFAOYSA-N 404.378 4.593 5 40 HJBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408576522 XOQDROHNUJKZBN-FQEVSTJZSA-N 412.515 4.818 5 40 HJBB CCC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(CC)[n+]3c4ccccc4[nH]c3c12 5695317 KKBLQWHFYKUWTC-UHFFFAOYSA-O 419.892 4.777 5 40 HJBB CC1(C)Cc2c(c(N3CCCC3)nc3sc(-c4ccc([N+](=O)[O-])cc4)c(N)c23)CO1 9012316 HSRLZNGPUWDRDD-UHFFFAOYSA-N 424.526 4.905 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 408599093 DTRJQZPHAVRSBO-UHFFFAOYSA-N 417.421 4.518 5 40 HJBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)C1 409190549 SAKFVRAKYKDERA-IBGZPJMESA-N 420.582 4.665 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2333593 UUAUVRALRXDKDO-CYBMUJFWSA-N 401.445 4.702 5 40 HJBB CCOc1ccc2nc3sc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)c(N)c3cc2c1 6134263 SFSNGMOBHXXYAO-UHFFFAOYSA-N 422.466 4.899 5 40 HJBB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 12742573 POSZTDUUOAPWMV-UHFFFAOYSA-N 401.419 4.639 5 40 HJBB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40132806 HWCFECMPMYOSPV-UHFFFAOYSA-N 417.421 4.988 5 40 HJBB O=[N+]([O-])c1ccc(-c2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 48289000 HWGMOWWMTVAAJU-QFIPXVFZSA-N 412.449 4.793 5 40 HJBB CSc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CCC3 9319151 YNVQNKIXQZKZQN-UHFFFAOYSA-N 417.537 4.785 5 40 HJBB CSc1nc2ccc3nc(NC(=O)c4ccc([N+](=O)[O-])s4)sc3c2s1 9404742 FAWFMUROLYYOCM-UHFFFAOYSA-N 408.511 4.850 5 40 HJBB COc1cccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)c1 16750175 DUJLRQAWOZFQSP-UHFFFAOYSA-N 423.402 4.658 5 40 HJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 8475353 XHBJYPAATUKRFX-JOCHJYFZSA-N 409.463 4.691 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)c2ccccc12 33671793 RWQUVOMDBJNWOX-UHFFFAOYSA-N 418.272 4.636 5 40 HJBB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215013732 GXZJRWJLELVDLZ-LICLKQGHSA-N 418.858 4.883 5 40 HJBB CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 5006142 CSWMRKUGYRWYOH-UHFFFAOYSA-N 409.446 4.978 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])CC1 6417459 MOMFIXRFOBYYHY-UHFFFAOYSA-N 418.291 4.846 5 40 HJBB COc1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1OC 6643806 VSRVFYWZHQZCBS-UHFFFAOYSA-N 415.445 4.806 5 40 HJBB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 58103725 KJYCOFYFSGRLGE-UHFFFAOYSA-N 423.429 4.584 5 40 HJBB COc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 72229578 WXAGSQHCQQPGIB-UHFFFAOYSA-N 403.866 4.745 5 40 HJBB COc1ccc(/C=C2/c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100352571 HVVHLASKHNMTFP-IUXPMGMMSA-N 419.349 4.989 5 40 HJBB CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)[C@H](O)c2ccccc2-3)C1 408992089 ZMLSEFQIGFDIHO-HSZRJFAPSA-N 400.434 4.874 5 40 HJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409230371 CIPXGYZOBJCQFI-XDHOZWIPSA-N 417.421 4.565 5 40 HJBB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1ccc([N+](=O)[O-])cc1 2649395 SPFKHXJMSXJKNY-VAWYXSNFSA-N 411.845 4.558 5 40 HJBB CC(=O)Nc1ccc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2c1 9367890 DFMCEJOBTFCRLH-UHFFFAOYSA-N 412.452 4.630 5 40 HJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442015 JYGUHGPMFJCPIE-UHFFFAOYSA-N 423.429 4.604 5 40 HJBB CC(C)CCN(CCC(C)C)C[C@H](O)Cn1c2ccccc2c(=O)c2ccccc21 4811494 SGQRHPWXJXKYCQ-NRFANRHFSA-N 408.586 4.910 5 40 HJBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc(C)nc2[N+](=O)[O-])cs1 5689411 ZOKVKSOSOKCWNL-UHFFFAOYSA-N 412.471 4.635 5 40 HJBB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc2c(ccc3ccccc32)oc1=O 9169466 JQWXNSJIEXLIDR-UHFFFAOYSA-N 423.384 4.995 5 40 HJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 15549146 JVYIULQOWXLSRD-CQSZACIVSA-N 420.494 4.753 5 40 HJBB O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)C(=O)N1c1ccccc1 408811819 MXOUOBQBPQZPQF-WQRHYEAKSA-N 408.391 4.801 5 40 HJBB CCO[P@@](=O)(SCC)SCc1nc(COc2ccc([N+](=O)[O-])cc2)no1 2154307 NDIOUFDTZFIGKD-DEOSSOPVSA-N 419.421 4.688 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)C12CC3CC(CC(C3)C1)C2 9404517 AXDJNFIJYLRRLH-UHFFFAOYSA-N 424.526 4.682 5 40 HJBB COc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])oc1ccccc12 9905985 PHUBSRGINCYJQZ-UHFFFAOYSA-N 421.365 4.592 5 40 HJBB O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12062434 IVXTXTKDOXPLHH-JKLQHZFJSA-N 402.475 4.644 5 40 HJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13758201 SOPGDRKYGQBYCO-WMZHIEFXSA-N 415.405 4.566 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] 36082454 UPLODQWJFKBBKR-FZDBZEDMSA-N 424.284 4.696 5 40 HJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 409238309 WVJVTBHITCGKGV-UDWIEESQSA-N 417.421 4.565 5 40 HJBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc(Cl)cc1 1378978 YEAQMWCITOZLRC-UHFFFAOYSA-N 416.846 4.518 5 40 HJBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1 2959671 PVHFINCEPYDJLT-HXUWFJFHSA-N 416.506 4.816 5 40 HJBB COCc1cc(C)nc2sc(-c3ccon3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 12445388 HWJKDXNJSURGTM-UHFFFAOYSA-N 424.438 4.567 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 40161258 ACHINYMFUDBUAT-HXUWFJFHSA-N 401.426 4.577 5 40 HJBB CCCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2089841 PQXUNVFLUUMHBZ-UHFFFAOYSA-N 402.472 4.744 5 40 HJBB CC(C)c1nc2sc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc3c2c2c1CCC2 8993073 NPUPGONVMMFGPY-UHFFFAOYSA-N 420.494 4.575 5 40 HJBB COc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)cc1 16749850 BETDUUQKBOKACV-UHFFFAOYSA-N 423.402 4.658 5 40 HJBB O=[N+]([O-])c1cccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCOCC2)c1 3203444 QYZKZEBIXKMYPC-OBGWFSINSA-N 421.522 4.798 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 13129300 QZGLLLXMUPVWJM-UHFFFAOYSA-N 423.391 4.982 5 40 HJBB Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)c(=O)[nH]c2c1 21581212 BPGRNCJETRIVMQ-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)c1 4176145 FCAKJYIMCFOZHT-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 5601014 YPDLFOJNULJGOM-KRWDZBQOSA-N 407.363 4.681 5 40 HJBB O=C(NCCc1ccccc1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624304 UBLXQEKXZYMNNJ-UHFFFAOYSA-N 417.468 4.564 5 40 HJBB biogenic Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 7141335 AHMFUSINZIQNCR-UHFFFAOYSA-N 400.481 4.855 5 40 HJBB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1Br 9496915 FLCZJHLJHIABPZ-UHFFFAOYSA-N 420.046 4.682 5 40 HJBB CC(C)(C)c1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 12521518 FYYFOZFGAFFCCJ-UHFFFAOYSA-N 400.478 4.996 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2[N+](=O)[O-])CC1 21595468 XNPVLQJQYSTDOU-UHFFFAOYSA-N 408.502 4.684 5 40 HJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408624280 BYKIRAZNGKDYNZ-JXMROGBWSA-N 400.394 4.758 5 40 HJBB O=c1oc2cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc2c2ccccc12 1717021 CVQCBBUWOUXMPX-UHFFFAOYSA-N 417.420 4.764 5 40 HJBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])sc2c1 4273158 KFEALNMDWOXUHL-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 8636100 UEGDPOMTSAFDGB-UYAOXDASSA-N 406.461 4.738 5 40 HJBB biogenic,in-vitro CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9391150 ZFSQGGFAWFBRSJ-NRFANRHFSA-N 422.510 4.597 5 40 HJBB O=C(c1cc(N[C@@H]2CCCC[C@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 95444759 DTNPJAWCWQOXGV-TZIWHRDSSA-N 401.507 4.513 5 40 HJBB O=C(NCCSCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 408568838 UVJWNYYOBRPNEM-UHFFFAOYSA-N 403.262 4.704 5 40 HJBB CCOC(=O)C(Oc1ncc(Cl)cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 5716629 FKAOLFUZTUGUGZ-UHFFFAOYSA-N 412.829 4.529 5 40 HJBB CC[N+](C)(CC)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6424766 COMNPYOVZNRIJP-FDDSQMOTSA-N 417.658 4.583 5 40 HJBB COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1[N+](=O)[O-] 8062761 HUCWICGUOQSZQO-UHFFFAOYSA-N 410.495 4.858 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N1CCc2ccccc2C1 8760771 WRGKYMSOLFXJQZ-UHFFFAOYSA-N 424.529 4.713 5 40 HJBB COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33546292 LTPYCFZMXBKHHC-UHFFFAOYSA-N 420.918 4.997 5 40 HJBB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 409177496 GBCGKESYXKHQFC-UHFFFAOYSA-N 405.406 4.522 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 521636062 BUBKRCFOAUKLAC-KRWDZBQOSA-N 413.232 4.563 5 40 HJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2422519 XASOEAORIYQBIF-ZDUSSCGKSA-N 403.873 4.908 5 40 HJBB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1OC 6457899 ODQFRDSIMFHVEN-XYOKQWHBSA-N 416.429 4.720 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2[N+](=O)[O-])CC1 7388786 ALMNPRMITIYKEN-UHFFFAOYSA-N 424.501 4.678 5 40 HJBB CCN1C/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 33480497 ZXWRKVMZXZBTKJ-ZROIWOOFSA-N 423.856 4.871 5 40 HJBB COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1csc(C)n1 12929367 QKMVRSGHYZYXCZ-UHFFFAOYSA-N 413.455 4.508 5 40 HJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)O)cc3C)o2)c([N+](=O)[O-])c1 20151003 POWGMRVUTHUSEZ-UXBLZVDNSA-N 406.394 4.822 5 40 HJBB C[C@H](Cc1ccc(Cl)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40112170 OTMKVRRHLFPBTD-MRXNPFEDSA-N 404.897 4.556 5 40 HJBB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc12 58407166 PKWFIJSHJNHIJG-CYBMUJFWSA-N 406.467 4.795 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1C 1518590 OSBHGFOEHRNYMX-UHFFFAOYSA-N 403.847 4.941 5 40 HJBB O=C(Nc1ccccc1)C(=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 3244781 HVCDAHNEMNVDAR-UHFFFAOYSA-N 421.840 4.909 5 40 HJBB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4691507 PYGYHKAPQYWSAV-LLVKDONJSA-N 403.485 4.723 5 40 HJBB Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCCNc1ccc([N+](=O)[O-])cc1 33354425 XMMAEMBXKMYREN-UHFFFAOYSA-N 423.813 4.677 5 40 HJBB O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1ccc(Br)cc1 40384334 DSHMZBBWBAQMLB-UHFFFAOYSA-N 413.296 4.951 5 40 HJBB CCOc1ccccc1[C@H](CC(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 72307334 HXPCBXFKQWYVFP-SFHVURJKSA-N 406.504 4.596 5 40 HJBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 89782931 AFTAZMCTFSZZCT-ZDUSSCGKSA-N 411.266 4.580 5 40 HJBB CCOc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 4659481 RWTTYDFGOVLLJQ-XNTDXEJSSA-N 413.433 4.863 5 40 HJBB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Br 16385734 AACBEYOHBLMXEE-UHFFFAOYSA-N 412.652 4.873 5 40 HJBB O=C(NC(=S)Nc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35394740 MDZZJIKEASNAAB-UHFFFAOYSA-N 418.434 4.530 5 40 HJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264933 JBQSPSRQHLGKKY-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)n1-c1ccc(F)cc1 408571003 MRURZNOILFSOGU-FQEVSTJZSA-N 408.458 4.978 5 40 HJBB O=[N+]([O-])c1cc2c(c(COc3ncnc4scc(-c5ccccc5)c34)c1)OCOC2 3322432 ZFBNPAXQQAJIFI-UHFFFAOYSA-N 421.434 4.712 5 40 HJBB O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 4014467 HGVLUNFVUOHXMY-UHFFFAOYSA-N 420.425 4.899 5 40 HJBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc12 4273224 AQTULIRFPZZOTP-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F 40069914 OTWUWKKKXNVSIX-JTQLQIEISA-N 414.792 4.691 5 40 HJBB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1ccccc1[N+](=O)[O-] 974622 ZUQJLPGNCZGQPD-CXUHLZMHSA-N 402.453 4.512 5 40 HJBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 995600 FHDZGUTZVWIDQR-AORWBKJGSA-N 414.483 4.610 5 40 HJBB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)SCC(O)=N2 44920685 IIXAQADFYQJIIU-QGZVFWFLSA-N 415.862 4.562 5 40 HJBB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CCC3)cc1 1081039 LDLYFGJOPFGBLM-UHFFFAOYSA-N 421.478 4.958 5 40 HJBB Cc1nc(Nc2ccc(Br)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5360766 ZCTGAWUXYDQWRA-UHFFFAOYSA-N 414.263 4.967 5 40 HJBB Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615892 RGABHCFPWDQGLF-UHFFFAOYSA-N 423.429 4.604 5 40 HJBB CCc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 79063767 WKDUMTJYZZPCNI-SFHVURJKSA-N 408.462 4.684 5 40 HJBB COc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409094164 CMIUFJSCVVPLQM-UHFFFAOYSA-N 410.377 4.663 5 40 HJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 4521958 CGLSJWZFDJRUHS-UHFFFAOYSA-N 412.511 4.863 5 40 HJBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 102815810 PLOPWMYQCBQURQ-UHFFFAOYSA-N 413.321 4.716 5 40 HJBB CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9391151 ZFSQGGFAWFBRSJ-OAQYLSRUSA-N 422.510 4.597 5 40 HJBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)s2)c(-c2cccs2)c1 15359193 UFBBLGODYRSBTA-UHFFFAOYSA-N 401.874 4.806 5 40 HJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1 2420986 AJMUYVNXOWKODN-UHFFFAOYSA-N 401.470 4.516 5 40 HJBB C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2[nH]1 40157411 NCBNVLNTUDDPJE-NSHDSACASA-N 410.817 4.876 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 4646552 BDUFUQIAYRITOM-GFCCVEGCSA-N 402.472 4.599 5 40 HJBB C[C@H](Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 9095399 FWHPKSLWLFXJHZ-LLVKDONJSA-N 402.863 4.698 5 40 HJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 32118593 GRAUHPAGDIEJJE-UHFFFAOYSA-N 414.512 4.674 5 40 HJBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 409390978 WSFBUSRXAPZJEN-UHFFFAOYSA-N 408.361 4.625 5 40 HJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)cnc32)cc1 2317910 KLSVEBXZJQTIQR-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] 9056482 ZJXJTNVHEWXPQB-LLVKDONJSA-N 418.862 4.726 5 40 HJBB O=C(Nc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8927104 SORZFIFSOXNJMX-ZHZULCJRSA-N 421.840 4.658 5 40 HJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1C 10140778 PLWKTZRRZILWPI-UHFFFAOYSA-N 406.486 4.511 5 40 HJBB CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] 20142466 VFSVARDGGRNGOH-UHFFFAOYSA-N 416.817 4.652 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N(C)Cc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 20897754 HLSANBKJZVSGBJ-UHFFFAOYSA-N 416.437 4.957 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 95467318 HMUKIBRJDMTKFS-UHFFFAOYSA-N 400.394 4.891 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222901807 XHYXBDKXBXIOBI-VQTJNVASSA-N 408.483 4.632 5 40 HJBB O=C(NC1CCCCC1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408977387 VUOFNUUVMAGXBM-UHFFFAOYSA-N 407.477 4.942 5 40 HJBB COc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 409180667 YZISDLSSQKIBNO-UHFFFAOYSA-N 424.365 4.661 5 40 HJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2422518 XASOEAORIYQBIF-CYBMUJFWSA-N 403.873 4.908 5 40 HJBB O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)c(Cl)c1 8763567 HCNSNHZHDUQMKM-UHFFFAOYSA-N 413.802 4.934 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nccs2)cc1 11250667 CZVGVBGKRJCQGR-UHFFFAOYSA-N 411.486 4.917 5 40 HJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 15549147 JVYIULQOWXLSRD-AWEZNQCLSA-N 420.494 4.753 5 40 HJBB C[C@H](Cc1ccccc1Cl)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40111964 BCRIRDZPPWNLIT-MRXNPFEDSA-N 404.897 4.556 5 40 HJBB O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 12525446 YQZOCEABWGUFSI-UHFFFAOYSA-N 419.466 4.611 5 40 HJBB Cc1c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cccc1[N+](=O)[O-] 12919375 JULQJGNSZNXRAL-FQEVSTJZSA-N 413.524 4.612 5 40 HJBB CC1CCN(c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])CC1 14360747 HRSXHHIIKTZGGV-UHFFFAOYSA-N 422.437 4.617 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17092704 MKNRGKFBNSTPPL-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 59420546 YOCQVJFFJMALQX-CQSZACIVSA-N 419.416 4.807 5 40 HJBB O=C(NCc1ccc2c(c1)OCO2)c1ccc2sc3nc4ccccc4nc3c2c1 104373992 NZTFUSQFSMJXFV-UHFFFAOYSA-N 413.458 4.656 5 40 HJBB CC(C)[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 4220583 NWBWCSKZIPYYEL-SFHVURJKSA-N 415.833 4.781 5 40 HJBB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N=C1O 8958959 ZHTRLZKDICFWFU-BOPFTXTBSA-N 416.480 4.690 5 40 HJBB Cc1cccc2sc(N(CCCN(C)C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 12140965 HMENGZROGXAAEP-VAWYXSNFSA-N 424.526 4.511 5 40 HJBB CCOc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 89991158 DBUOOTCOKWAGKG-UHFFFAOYSA-N 413.455 4.538 5 40 HJBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 260756141 DPQMJULSCUARIY-NQERJWCQSA-N 419.510 4.760 5 40 HJBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408562521 QOEOAFXXPCKCPW-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1-c1ccccc1 4574895 KCFIQFKCTMXBNF-UHFFFAOYSA-N 408.527 4.997 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](CC)C2 4577035 SWQZUTJVKKCBHN-ZDUSSCGKSA-N 416.499 4.909 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(-c3cccs3)nc21 9348660 ISCYGFJEHJTBFS-UHFFFAOYSA-N 419.893 4.620 5 40 HJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 224921649 DNQMTMFDUBZSFG-UHFFFAOYSA-N 420.903 4.639 5 40 HJBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 408567750 HHOJNOJXGWNCMI-LJQANCHMSA-N 400.479 4.948 5 40 HJBB O=[N+]([O-])c1cc(Br)cc2c1[nH]c1nc3ccc(C(F)(F)F)cc3nc12 1571861 STJJSMWIMJTWJB-UHFFFAOYSA-N 411.137 4.954 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2439748 WYVZPYRDCSKYCA-UHFFFAOYSA-N 403.873 4.655 5 40 HJBB CSc1[nH]nc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1ccc([N+](=O)[O-])cc1 4277579 QQNYYDFQZLIKGO-UHFFFAOYSA-N 424.269 4.661 5 40 HJBB Cc1c(-c2nnc3sc(/C=C/c4cccc([N+](=O)[O-])c4)nn23)oc2ccccc12 96194384 CWZWJUOBLJYXRB-MDZDMXLPSA-N 403.423 4.986 5 40 HJBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)nc1 223995324 JVRKMXNTPIMOTB-UHFFFAOYSA-N 404.923 4.832 5 40 HJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)o1 226769041 YUMASIOGSXZORS-UHFFFAOYSA-N 404.378 4.628 5 40 HJBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 4545093 YBZUEVNADLWZBZ-WYRIXSBYSA-N 409.467 4.895 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 17091652 HASSZRFDOWJDEH-UHFFFAOYSA-N 418.689 4.990 5 40 HJBB O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 409179058 MUFJHDJTSXBGAA-UHFFFAOYSA-N 420.421 4.849 5 40 HJBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c2c(C)c(C)sc2n1 5428745 LVTWMCSFYCGSPN-UHFFFAOYSA-N 403.485 4.684 5 40 HJBB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 17094153 FPDQVYAUQNAVGE-YRNVUSSQSA-N 424.888 4.841 5 40 HJBB CC(=O)c1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2212217 IPNBGQRARXDOGL-UHFFFAOYSA-N 409.405 4.747 5 40 HJBB O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 6049169 CPJIQCHCBIYHIK-DUXPYHPUSA-N 410.209 4.525 5 40 HJBB Cc1cc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])cc1C 12982240 ULUJGUSLDQSTNO-OAQYLSRUSA-N 413.474 4.730 5 40 HJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 33608297 KBLXGZQENRWVDI-UHFFFAOYSA-N 419.304 4.928 5 40 HJBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2256699 JYZIXTVVVWQGKN-UHFFFAOYSA-N 417.900 4.901 5 40 HJBB COc1ccc2c(c1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)n2C 5100798 HHJGHHQNKZPDMX-UHFFFAOYSA-N 404.491 4.840 5 40 HJBB O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3-c3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2c1 6446159 OQVZTCNCOMZCHO-UHFFFAOYSA-N 400.354 4.590 5 40 HJBB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)c1cccc([N+](=O)[O-])c1 39402935 ZQQLLIVJOJQDQX-UHFFFAOYSA-N 423.803 4.525 5 40 HJBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 9388617 DLBUALFKHBGCGB-UHFFFAOYSA-N 416.846 4.582 5 40 HJBB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc1CC2 409059233 VOYBUFIKYOXPRQ-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(OCc2ccccc2)cc1 682694 WJBASHPHPKGYEJ-KGENOOAVSA-N 400.390 4.518 5 40 HJBB O=c1c2ccccc2sc2nc(-c3cccs3)n(Cc3ccccc3)c(=O)c12 2327036 GMDFRUYNUUAKQE-UHFFFAOYSA-N 402.500 4.748 5 40 HJBB Cc1c(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cccc1[N+](=O)[O-] 4088745 NZWHGZFTEXQJEI-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB Cc1cc(NC(=O)c2ccccc2Br)nc2c1c(=O)oc1ccccc12 4108197 WQIXWLCDRPZGDU-UHFFFAOYSA-N 409.239 4.664 5 40 HJBB O=C(CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 9059963 SSMFMMCGXHRJKW-UHFFFAOYSA-N 414.465 4.633 5 40 HJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 409163938 ABKIOUQIGQXHAK-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 13941647 RKLYVOYDGQDRHS-UHFFFAOYSA-N 421.796 4.669 5 40 HJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 20145099 DMRIYVWFRJCLNS-RUDMXATFSA-N 412.829 4.961 5 40 HJBB CN(C(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 58104473 VQFHNFMHSXRIKV-SFHVURJKSA-N 408.285 4.702 5 40 HJBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncs1 58179809 UUGAUFFXAMVJCG-NSHDSACASA-N 418.525 4.717 5 40 HJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273192 OVAAENSUHBYYPN-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1 4328263 BWYGNHTZAOVSHQ-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 17092831 HUVREEUHVPSDSC-UHFFFAOYSA-N 421.906 4.862 5 40 HJBB CCc1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)o1 408631136 FDMRNHJPEHBKHM-ZSOIEALJSA-N 421.818 4.671 5 40 HJBB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(CC(C)C)cc1)[N+](C)(C)CC3)OCO2 1280176 SXVBRXBANMNIDB-HXUWFJFHSA-N 410.534 4.569 5 40 HJBB biogenic CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408565535 CEPZNIKKTLJEIH-SFHVURJKSA-N 402.907 4.902 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1OC 15833804 LPIQOHDHAPNABK-AWEZNQCLSA-N 424.457 4.565 5 40 HJBB Cc1ccc(S(=O)(=O)c2nc(Nc3cccc([N+](=O)[O-])c3)sc2Cl)cc1 8036203 YFAJUIRLZIYYBQ-UHFFFAOYSA-N 409.876 4.590 5 40 HJBB CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 23243951 GFTXKYCBNULAAU-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB COc1c(Br)cc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 33725899 AGQLBHDQTJNCQB-ARJAWSKDSA-N 418.041 4.595 5 40 HJBB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 35146984 YLTMABZCPHTNQD-DHDCSXOGSA-N 419.256 4.594 5 40 HJBB COc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2ccccc2c1Br 408623297 SPBYINHSDIQYEL-UHFFFAOYSA-N 401.216 4.771 5 40 HJBB CCOc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1 6870597 KQFHPMMGZXSTGD-UHFFFAOYSA-N 421.497 4.774 5 40 HJBB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl 9491609 WYQGTGPKCQONIY-FQEVSTJZSA-N 420.856 4.838 5 40 HJBB CCc1ccc([C@@H]2N[C@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 13142484 JTRXAGQKEBNGGS-CIAFKFPVSA-N 411.502 4.514 5 40 HJBB aggregator CCn1c(COc2cccc3cccnc23)nnc1SCc1ccc([N+](=O)[O-])cc1 15441681 IARDDEKYAZYAPL-UHFFFAOYSA-N 421.482 4.626 5 40 HJBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222978602 UIFOFNFYKQGXDO-LEWJYISDSA-N 421.526 4.553 5 40 HJBB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)cc1[N+](=O)[O-] 408996102 KXTACCABWGQOOH-QIJUGHKUSA-N 416.433 4.773 5 40 HJBB CCCCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 1750978 DTFLJAPYGIUZHC-UHFFFAOYSA-N 405.458 4.762 5 40 HJBB CC[C@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1 3008083 CNVUOLGWCXKUGQ-KRWDZBQOSA-N 408.483 4.660 5 40 HJBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCCO2 5407906 UJCYVQXOBZUYPL-IBGZPJMESA-N 404.850 4.537 5 40 HJBB CC(C)COc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 5444434 RZLFFQNKTNHPML-UHFFFAOYSA-N 412.364 4.666 5 40 HJBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5750392 HNFWUCAICSCSOW-UHFFFAOYSA-N 402.834 4.990 5 40 HJBB Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccccc2O)c(C)c1 408607807 UYZPDOUSNPMZOS-UHFFFAOYSA-N 419.466 4.711 5 40 HJBB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c(C)c1 5889871 CYXVZEAXXFYASC-UHFFFAOYSA-N 415.500 4.538 5 40 HJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O 6595812 IZYFJPHGRZYEKM-FQEVSTJZSA-N 411.797 4.735 5 40 HJBB CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 12062763 FNLAGLXCBFZIOY-UHFFFAOYSA-N 408.454 4.919 5 40 HJBB COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408841841 HYOBNIFXRIPXAI-RIYZIHGNSA-N 414.826 4.816 5 40 HJBB O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccco1 1517913 XACDCSUARIYTCQ-UHFFFAOYSA-N 417.377 4.952 5 40 HJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCCOC(C)C 2449088 YLAPHWUVMFNBGE-UHFFFAOYSA-N 421.545 4.690 5 40 HJBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1Sc1ccccc1 3301335 RZCXCEOUHLYBJP-UHFFFAOYSA-N 414.464 4.603 5 40 HJBB Cc1c(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cccc1[N+](=O)[O-] 408677801 RQPSOZCEGYZOKO-UHFFFAOYSA-N 417.396 4.783 5 40 HJBB C[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2686058 KHPBXOQVAOCUSR-COJQNKITSA-N 407.854 4.568 5 40 HJBB O=c1c2ccccc2nc2c(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cccn12 15829065 YOOBECPUQSKWAY-UHFFFAOYSA-N 408.339 4.584 5 40 HJBB Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 84114701 PZEJXYUKEXKIPN-UHFFFAOYSA-N 422.460 4.660 5 40 HJBB O=C(Nc1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1)[C@@H]1CCCO1 95997105 IVIGYCXIIFMGGX-INIZCTEOSA-N 410.257 4.631 5 40 HJBB Cc1c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cccc1[N+](=O)[O-] 409181554 DCRKOVSEXLWUHB-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 10740909 NZNMOMISLLFMLD-UHFFFAOYSA-N 410.430 4.600 5 40 HJBB Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 12870257 ZHELJIUQBSIFEL-UHFFFAOYSA-N 417.874 4.773 5 40 HJBB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 7759335 BGPSYJZIJKJUAN-UHFFFAOYSA-N 414.849 4.739 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222856425 QTDOQBFYQJRKRX-WOJBJXKFSA-N 408.483 4.631 5 40 HJBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 260788386 ZQBMZWGUQYZSOC-NQERJWCQSA-N 419.510 4.760 5 40 HJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 409241244 JSAZCXDLLOXSDJ-UDWIEESQSA-N 417.421 4.565 5 40 HJBB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cccc([N+](=O)[O-])c1 3331974 HBXJCCPQGRLDLT-UHFFFAOYSA-N 424.459 4.973 5 40 HJBB O=C(Oc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409262830 JDAGJZZLSWJHDA-UHFFFAOYSA-N 421.390 4.999 5 40 HJBB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 13893911 CYRWYBREYCQYDR-UHFFFAOYSA-N 419.412 4.579 5 40 HJBB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17088239 ROTUVEPAFLZZNT-UHFFFAOYSA-N 409.467 4.852 5 40 HJBB O=C(CCCCc1ccc(Br)cc1)N1CCc2cc([N+](=O)[O-])ccc21 59251202 SGECSFFBFUONNJ-UHFFFAOYSA-N 403.276 4.659 5 40 HJBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1[N+](=O)[O-] 841600 AVFILSQSGGYWRK-UHFFFAOYSA-N 404.245 4.733 5 40 HJBB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1[N+](=O)[O-] 9065372 VKNQXCXFUREHNG-UHFFFAOYSA-N 421.840 4.704 5 40 HJBB O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 9244650 XQYFGFKFUTXQTH-CMDGGOBGSA-N 418.434 4.773 5 40 HJBB CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 17089721 JMFZOXDZZWWLBC-BJMVGYQFSA-N 413.905 4.734 5 40 HJBB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10139912 HNXXUFLXCKWKJX-UHFFFAOYSA-N 412.877 4.548 5 40 HJBB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])s1 10573129 SPGCLKPYSWHJEM-UHFFFAOYSA-N 416.303 4.856 5 40 HJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30945729 ZKPKSWIRWVUIJN-CQSZACIVSA-N 408.285 4.752 5 40 HJBB O=c1c2ccccc2oc2nc(C3CCCCC3)n(CCc3ccccc3)c(=O)c12 2209610 HGZOOXDFEBSTNF-UHFFFAOYSA-N 400.478 4.793 5 40 HJBB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(=O)OC)C1 2755567 OCPZXWRLQWSWTC-GFCCVEGCSA-N 402.472 4.519 5 40 HJBB COc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1OC 10039706 WCMIWEFHNHMWLC-UHFFFAOYSA-N 409.394 4.761 5 40 HJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(C(=O)O)c1 20145312 NCNFTLAYHFWPMD-JXMROGBWSA-N 412.785 4.858 5 40 HJBB Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409177442 ASMCOZVDKWDDDZ-NRFANRHFSA-N 420.377 4.592 5 40 HJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4)cnc32)c1 2322135 ZAEZHISFBXUULY-UHFFFAOYSA-N 417.472 4.890 5 40 HJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3cc(Cl)ccc3o2)c1O 12856562 PGHBRHTXEOCIQN-UHFFFAOYSA-N 413.773 4.916 5 40 HJBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1O 3151776 YSSBIPSLZXHRTE-UHFFFAOYSA-N 406.019 4.622 5 40 HJBB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c12 5313692 XVDNOADBVVAPFJ-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10901446 XYQJQAUAGRZODY-UHFFFAOYSA-N 410.861 4.584 5 40 HJBB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cs1 226092768 FWDHLUZUCAHHEG-UHFFFAOYSA-N 418.862 4.674 5 40 HJBB O=c1oc2ccccc2cc1-c1csc(-c2cc3cccc([N+](=O)[O-])c3oc2=O)n1 2206798 DCXRCGOZACZCJY-UHFFFAOYSA-N 418.386 4.598 5 40 HJBB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2582421 JPQMSJTVMLPKIK-UHFFFAOYSA-N 423.225 4.793 5 40 HJBB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc([N+](=O)[O-])s1 3275788 UZAXFQOSMXJQMM-UHFFFAOYSA-N 410.274 4.795 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5557412 KAGUVRAOGNLQRD-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB CCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6600781 QCFJGGCYKXBFGM-UHFFFAOYSA-N 400.438 4.736 5 40 HJBB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 9019584 USSDFTXVQNPOQS-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c12 9272325 ZHKPMDCWBBFDED-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 21676317 IOPXWURIFNWSOJ-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57313018 ZGBCXKKIOZYGJY-FMIVXFBMSA-N 407.451 4.690 5 40 HJBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCC2)c(C(C)(C)C)c1 226071452 HIBWYXTYGFLTIS-JOCHJYFZSA-N 412.594 4.933 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccccc3F)nc21 2197643 LHVBDFZGOVNCEJ-UHFFFAOYSA-N 417.484 4.950 5 40 HJBB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)cc1 7814734 BBAWSEUTWXMDOT-UHFFFAOYSA-N 419.502 4.604 5 40 HJBB C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2ccnc2)cc1 9915572 GMSLVTPVZMEBDH-HNNXBMFYSA-N 402.410 4.532 5 40 HJBB COc1cccc([C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 12550767 UPOZOXOQUOBVFH-QGZVFWFLSA-N 406.364 4.557 5 40 HJBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncs1 58179811 UUGAUFFXAMVJCG-LLVKDONJSA-N 418.525 4.717 5 40 HJBB CCc1cc(N[C@@H](c2nc(C3CC3)no2)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 79063764 WKDUMTJYZZPCNI-GOSISDBHSA-N 408.462 4.684 5 40 HJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(C1CC(C)(C)NC(C)(C)C1)CO2 6661981 NUAOBVBJGJIWKX-UHFFFAOYSA-N 406.526 4.716 5 40 HJBB COc1ccc(SCCC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10219584 SGUVMFRJHSKJIN-UHFFFAOYSA-N 421.525 4.909 5 40 HJBB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3Sc3ccccc3[N+](=O)[O-])sc2c1 1445598 AEGBJONAPLVDKL-HNNXBMFYSA-N 414.512 4.623 5 40 HJBB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6987056 YGJUCUIXCSNLMB-SECBINFHSA-N 408.197 4.870 5 40 HJBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] 13786090 UPLODQWJFKBBKR-XLAORIBOSA-N 424.284 4.696 5 40 HJBB O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 40105181 IQOWIOAEXWFUCD-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB CC1CCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 408974840 HIODYYLOQDAEQJ-UHFFFAOYSA-N 407.477 4.752 5 40 HJBB CCCCOCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2433133 NIMVGFRAGBOPQT-UHFFFAOYSA-N 422.529 4.922 5 40 HJBB CCOc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c([N+](=O)[O-])cc1OC 12775762 WYECFTSTJMIUNU-UHFFFAOYSA-N 404.422 4.826 5 40 HJBB CN(C(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 58104468 VQFHNFMHSXRIKV-GOSISDBHSA-N 408.285 4.702 5 40 HJBB CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 59489745 JXDZKBXVXGHMRA-UHFFFAOYSA-N 417.399 4.752 5 40 HJBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCC 408625610 XPWNQMBAHCVTPW-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc(Cl)cc2)CC1 20095960 VAPQXMACGOBYFM-UHFFFAOYSA-N 416.861 4.524 5 40 HJBB O=C(c1ccccc1)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 57929462 ZSQUBCNEDVSNCF-UHFFFAOYSA-N 417.465 4.531 5 40 HJBB CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Cl)ccc1Cl 57992784 AZGCUSJZACEKEO-UHFFFAOYSA-N 408.285 4.781 5 40 HJBB CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 688783 CVPBXSWNKJGGTK-INIZCTEOSA-N 415.862 4.715 5 40 HJBB Cc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 2241032 FDSXPPYKMJEIDQ-UHFFFAOYSA-N 408.457 4.721 5 40 HJBB CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)cc1 2776129 NSFXUGNLBIWLBV-UHFFFAOYSA-N 409.467 4.798 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2ccccc2s1 9716991 ZENMLSZMYQSSDF-VAWYXSNFSA-N 416.462 4.846 5 40 HJBB C[C@@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 12495402 MTGOGEDHEROJHB-OAHLLOKOSA-N 418.428 4.623 5 40 HJBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 409154126 MSRTWCWGDLAKSN-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409177444 ASMCOZVDKWDDDZ-OAQYLSRUSA-N 420.377 4.592 5 40 HJBB O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 4598337 JFBKEDBDHFONRZ-UHFFFAOYSA-N 406.254 4.518 5 40 HJBB CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21 5518059 BWKNVBOHAZGMDS-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 106696606 DWIZSCWRMIFZHM-UNOMPAQXSA-N 423.425 4.761 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1cccs1 5030622 BUVRNHHWHRVVLN-UHFFFAOYSA-N 415.522 4.909 5 40 HJBB O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 36392520 SNQKMLBSZZJLLR-UHFFFAOYSA-N 410.857 4.895 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 9464456 KTQZMJCOZAVVID-UHFFFAOYSA-N 424.482 4.579 5 40 HJBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1 409200385 RRRRVHOKQHSXHO-WOJGMQOQSA-N 423.812 4.601 5 40 HJBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(C(F)(F)F)c1 5600556 IGKLLHAXEYGDFI-QPJJXVBHSA-N 402.275 4.867 5 40 HJBB COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 6846829 FJVWLGXHTSYMNG-XVNBXDOJSA-N 411.639 4.671 5 40 HJBB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9413933 GGBCHSUWBGHFQI-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 9445986 NTSIRJHRCWALNV-MRXNPFEDSA-N 404.422 4.806 5 40 HJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215250528 HDLWRXYAXBJXKL-FRKPEAEDSA-N 422.821 4.632 5 40 HJBB O=C(Cc1coc2ccc3ccccc3c12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3301104 MVZSEHUYXKYZGB-UHFFFAOYSA-N 419.389 4.647 5 40 HJBB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409341111 CRKSGIXRLINMDH-YBFXNURJSA-N 410.451 4.637 5 40 HJBB Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)ccc1[N+](=O)[O-] 4576679 SGKSLASRVCSALE-UHFFFAOYSA-N 402.472 4.661 5 40 HJBB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 12914989 URNLQEXOTPCUFL-UHFFFAOYSA-N 412.789 4.841 5 40 HJBB CC(C)(c1ccccc1)c1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 13000019 MAVPOHGHIIGOHZ-UHFFFAOYSA-N 401.422 4.721 5 40 HJBB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 408603714 FQOPDWFWTOCCSW-UHFFFAOYSA-N 409.467 4.832 5 40 HJBB O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409264838 GGECCGXCBIESLQ-UHFFFAOYSA-N 421.390 4.999 5 40 HJBB Cc1ccnc(-n2c(SCc3cccc([N+](=O)[O-])c3C)nc3ccccc3c2=O)c1 57854208 XCOYLYROUBCYLH-UHFFFAOYSA-N 418.478 4.598 5 40 HJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 682695 WJBASHPHPKGYEJ-STZFKDTASA-N 400.390 4.518 5 40 HJBB COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1060453 QVTSETREFGZLNB-UHFFFAOYSA-N 417.373 4.596 5 40 HJBB biogenic COc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2)c1 4674810 XTVHTWUVKVZHSJ-BZZOAKBMSA-N 415.405 4.834 5 40 HJBB COc1cc(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 9884214 HHPASNYZJHAHSQ-UHFFFAOYSA-N 417.771 4.635 5 40 HJBB CC(C)Oc1cccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 40112746 DOLSYIXWEYTKGF-SFHVURJKSA-N 414.505 4.819 5 40 HJBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 24585761 WBZIOZFEJQRXSF-ZDUSSCGKSA-N 402.472 4.533 5 40 HJBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1 408695871 UJOQUZGCSVKUTE-UHFFFAOYSA-N 417.400 4.542 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 409368027 LODOMOZLNGDUKF-RFZJPIJTSA-N 420.852 4.643 5 40 HJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2208691 RIWSOECCCCDSAU-UHFFFAOYSA-N 417.900 4.796 5 40 HJBB CC[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(=O)OC)C1 5476662 XWDLQBZGNJXYEW-GFCCVEGCSA-N 402.472 4.519 5 40 HJBB COc1ccccc1OCC(=O)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 6660704 FKEGQVJDNBKESO-UHFFFAOYSA-N 409.825 4.626 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc2ccccc12)c1ccccn1 27662774 ZDIZKDHQUJWCGD-UHFFFAOYSA-N 413.433 4.755 5 40 HJBB COc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)c1 72229564 ASUMYYPQKXBQRG-UHFFFAOYSA-N 403.866 4.745 5 40 HJBB O=C(c1ccccc1)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 12765393 MJBMLVGLRPUPQT-UHFFFAOYSA-N 402.435 4.762 5 40 HJBB Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1[N+](=O)[O-] 12766447 ISEBIQOYPZVDDJ-UHFFFAOYSA-N 420.347 4.543 5 40 HJBB COc1cccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2OC)c1 224259360 MRGMQANUWWTNOO-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 409177350 FDEHILYRALLWPU-UHFFFAOYSA-N 411.410 4.925 5 40 HJBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3c([N+](=O)[O-])ncn3C)cc12 848460 UJHGRDVYTTVJFD-UHFFFAOYSA-N 407.382 4.711 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccc(Cl)cc3)nc21 2328067 MJQWXZRNSRGPOD-UHFFFAOYSA-N 405.885 4.684 5 40 HJBB Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)[nH]c2c1 6420862 CNWONABEXCRJOA-UHFFFAOYSA-N 410.377 4.529 5 40 HJBB CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12561541 ODVTYBVTBPUIIE-UHFFFAOYSA-N 422.312 4.777 5 40 HJBB Cc1oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 14423578 KMGAABQFZPVWCU-UHFFFAOYSA-N 401.374 4.896 5 40 HJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-] 408994451 GCKVIAYEECHNHX-LEOXJPRUSA-N 417.421 4.983 5 40 HJBB CC(=O)Oc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1C 2111048 KXKNCZJVQUJDBP-UHFFFAOYSA-N 412.397 4.953 5 40 HJBB biogenic CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 2616876 ZZFMDGJQTYHDJW-JTQLQIEISA-N 420.878 4.643 5 40 HJBB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3315695 XCWYCWZWMCFZTK-OAQYLSRUSA-N 407.447 4.854 5 40 HJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccccc2)=NC12CCCC2 4892192 CKLORFZZMRKNOU-UHFFFAOYSA-N 413.886 4.791 5 40 HJBB O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(Cl)ccc1[N+](=O)[O-] 2762891 OWERMNUEDCZZPX-UHFFFAOYSA-N 409.204 4.538 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409241971 ZPBRTTCWANBCKN-WOJGMQOQSA-N 423.812 4.914 5 40 HJBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 13284050 SVTHFTAUKBOEEB-UHFFFAOYSA-N 423.281 4.818 5 40 HJBB Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 40070264 MFYYQZOEIKSUCD-UHFFFAOYSA-N 405.454 4.913 5 40 HJBB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 17088355 HJWARDYSQMFDKS-UHFFFAOYSA-N 409.829 4.682 5 40 HJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17088425 ZIHBVXGFCYNWBL-UHFFFAOYSA-N 410.367 4.625 5 40 HJBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24522560 IZUCGDDHQMDCNZ-NHCUHLMSSA-N 410.470 4.646 5 40 HJBB CCOC(=O)c1sc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 4079341 RUSAIAXJVUSCTO-UHFFFAOYSA-N 412.427 4.539 5 40 HJBB CSc1nc2ccc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)sc3c2s1 4134749 VDMMLOAFFZUGTR-UHFFFAOYSA-N 402.482 4.788 5 40 HJBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 216026934 MKUJTGLHJVEABP-UHFFFAOYSA-N 402.863 4.502 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222946021 JHUCRRAJCDTGSL-RTWAWAEBSA-N 422.510 4.878 5 40 HJBB O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 4168879 IVXTXTKDOXPLHH-PDGJWGCVSA-N 402.475 4.644 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1nc2ccccc2s1 5862262 SQUSCONFZKTUQB-UHFFFAOYSA-N 402.482 4.545 5 40 HJBB O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 27834080 UZIBHOOBAVKRJP-WOJGMQOQSA-N 423.812 4.601 5 40 HJBB COC(=O)c1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c2ccccc12 226768424 RPTBWOQPROKONI-UHFFFAOYSA-N 404.378 4.593 5 40 HJBB O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 3309737 SKDRHKWUOYYBEX-GFCCVEGCSA-N 422.919 4.898 5 40 HJBB Cc1c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cccc1[N+](=O)[O-] 4558290 JIRMJEHJSZXPKF-UHFFFAOYSA-N 402.472 4.661 5 40 HJBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1cc(=O)oc2cc(Br)ccc12 29750939 SCNWAEUGMUDDRJ-UHFFFAOYSA-N 404.216 4.660 5 40 HJBB O=C(Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12)c1ccccc1[N+](=O)[O-] 408975052 JBNWGZLUJUPMMA-UHFFFAOYSA-N 416.349 4.903 5 40 HJBB COc1ccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 408995517 ASSHUZFBOSNCDI-UHFFFAOYSA-N 420.494 4.618 5 40 HJBB O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1CCC(Cc2ccccc2)CC1 652549 UDKOSRSOKCEOGU-UHFFFAOYSA-N 420.465 4.862 5 40 HJBB CCOc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 4893573 XDSRHURUKKSYOG-UHFFFAOYSA-N 406.438 4.849 5 40 HJBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 19927397 VSAGJZREAABPDY-UHFFFAOYSA-N 402.863 4.502 5 40 HJBB CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1c[nH]c2ccccc12 663373 BZKJFQNHVMHUPB-QMUTUGEISA-N 418.453 4.694 5 40 HJBB CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 3489580 IGVJQPTYAVXYPP-UHFFFAOYSA-N 412.518 4.786 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccco1)c1ccccc1 24832207 IUNXQNDJEVFGON-UHFFFAOYSA-N 408.457 4.981 5 40 HJBB C[C@@H](O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 7541022 NLJQCNDFKOBOSP-CQSZACIVSA-N 415.877 4.763 5 40 HJBB COc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c([N+](=O)[O-])c1 12814439 YFHCLVUSPSWGCS-UHFFFAOYSA-N 420.450 4.951 5 40 HJBB CCN(CC)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974264 DRAGGELGHIAKKH-UHFFFAOYSA-N 412.522 4.918 5 40 HJBB Cc1cc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])cc1C 10139892 WDZLRZMONWXSQF-UHFFFAOYSA-N 406.486 4.511 5 40 HJBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3C)nc3ccccc3c2=O)nc1 102788909 GKXSUPGGDKSWLA-UHFFFAOYSA-N 418.478 4.598 5 40 HJBB O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2Cc2ccc(F)cc2)cc1 1107846 UFGMANXCRXCYJB-UHFFFAOYSA-N 412.368 4.685 5 40 HJBB Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 4699312 GODPPILMQUCXNS-UHFFFAOYSA-N 413.655 4.645 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)o1 8994108 ILHRDVLQTSGGNZ-LJQANCHMSA-N 424.482 4.642 5 40 HJBB Cc1c(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cccc1[N+](=O)[O-] 9599932 SDCDKDJMQUUBGI-UHFFFAOYSA-N 420.903 4.953 5 40 HJBB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34889148 BEMLVTYLCAINEF-UHFFFAOYSA-N 415.858 4.943 5 40 HJBB Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)c1 40398729 VYROBIOVBHPWBD-UHFFFAOYSA-N 407.473 4.615 5 40 HJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 408541180 BUSZJBVXDFHGND-VMPITWQZSA-N 412.358 4.556 5 40 HJBB O=C1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c2ccccc2N1 3433269 HVRHHVXIPSWRQR-UHFFFAOYSA-N 423.812 4.639 5 40 HJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(c2ccc(Cl)cc2)CCCC1 3509942 BOYOJCCAHMWLIS-UHFFFAOYSA-N 417.845 4.670 5 40 HJBB CC(=O)Oc1cn(CCc2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 5454019 JLIHWQOQHSZSOF-UHFFFAOYSA-N 418.884 4.967 5 40 HJBB CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6311978 UUQHKIRHUMHSRK-JOCHJYFZSA-N 404.422 4.808 5 40 HJBB Cc1sc2ncnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1C 13778642 VGSIRWLWWNOHRH-JTQLQIEISA-N 422.919 4.989 5 40 HJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408553491 AGFLMOVCNMGIMC-UHFFFAOYSA-N 409.398 4.703 5 40 HJBB COc1ccc(OC)c(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1 2117517 PUNLUTROCTVEAZ-UHFFFAOYSA-N 403.434 4.628 5 40 HJBB biogenic O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c12 2227711 UPYULDHPJYTWFY-UHFFFAOYSA-N 400.821 4.813 5 40 HJBB CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12 3310171 QEOBPASWHSSAAN-UHFFFAOYSA-N 412.829 4.611 5 40 HJBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1 2959670 PVHFINCEPYDJLT-FQEVSTJZSA-N 416.506 4.816 5 40 HJBB CC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C(C)=O)cc3)n2)cc1 4854699 OWKNOLCLGJSRME-UHFFFAOYSA-N 405.414 4.586 5 40 HJBB Cn1c2ccccc2c(=O)c2c1nc(CCc1ccccc1)n1c3ccccc3nc21 5205086 GLMPTBHIPZVYRD-UHFFFAOYSA-N 404.473 4.673 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@@H](c3ccc(C)cc3)C[C@@H]21 19171736 LFNIEMJFVXENHE-ZFGGDYGUSA-N 417.465 4.996 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 20141157 CLRLKEOFEPJRDZ-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)o1 226768636 FALYTCOGMZIEGK-UHFFFAOYSA-N 404.378 4.813 5 40 HJBB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 8782398 JRZJRIPWVRLHSM-UHFFFAOYSA-N 412.471 4.832 5 40 HJBB COc1ccc(Oc2ccc(CNc3cccc(-c4nc[nH]n4)c3)cc2[N+](=O)[O-])cc1 83950060 OORCAGIXKSOBFB-UHFFFAOYSA-N 417.425 4.793 5 40 HJBB Cc1cccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccccc2)c1 2366135 IXBRJKRZAPLYSM-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 32933075 PVVKEXVLOFFWBF-HNNXBMFYSA-N 404.426 4.730 5 40 HJBB COc1ccc([C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12551763 ZTHIYVSZPYDWHU-QGZVFWFLSA-N 406.364 4.557 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1-c1ccccc1 2252591 GMBDEODGOREZEV-UHFFFAOYSA-N 423.863 4.926 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(Cl)c([N+](=O)[O-])c1 3008138 HLJFUXPKRZPUKL-UHFFFAOYSA-N 418.837 4.572 5 40 HJBB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 4396743 VJLFXQVWARDSSI-YJBOKZPZSA-N 416.503 4.654 5 40 HJBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 5065670 DYBYECAWYTZACC-UHFFFAOYSA-N 409.493 4.766 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222901739 XHYXBDKXBXIOBI-UXHICEINSA-N 408.483 4.632 5 40 HJBB COc1c(O)ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1[N+](=O)[O-] 684621 UHSZQIAOIGVZGC-VFNWGFHPSA-N 423.450 4.613 5 40 HJBB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6388204 KSKJNMPQAXUETO-UHFFFAOYSA-N 409.467 4.852 5 40 HJBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 10729936 UMWZPPYKJJQXLJ-UHFFFAOYSA-N 403.467 4.838 5 40 HJBB O=C(Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1)c1ccc([N+](=O)[O-])cc1 16752104 PZAWUCIEXGMZEQ-UHFFFAOYSA-N 411.366 4.788 5 40 HJBB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992555 XSWQUESMFUQWIW-ZDUSSCGKSA-N 418.478 4.871 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 575444399 VKRXNXZHBCQBHZ-UHFFFAOYSA-N 400.693 4.877 5 40 HJBB O=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 2764573 DWJNCLZGZGYCQM-UHFFFAOYSA-N 413.792 4.892 5 40 HJBB CCN1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 13633065 GHSPPSGUPHZLMG-OQOKOFKUSA-N 412.578 4.754 5 40 HJBB C[C@H]1CN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)C[C@H](C)N1 72333397 KWHRYUWXQQAQKL-PHJUYIKSSA-N 412.578 4.798 5 40 HJBB CC(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1 226092742 RPQXMLIXKYYSTH-UHFFFAOYSA-N 400.822 4.598 5 40 HJBB Cc1ccc2cc3c(NC(=O)c4cccc([N+](=O)[O-])c4)nn(CC(C)C)c3nc2c1 5180191 UVHLOKARAUFWQO-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCc1ccccc1 224356674 NPZGTUBBEZIMDK-UHFFFAOYSA-N 406.438 4.881 5 40 HJBB COCCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409241480 XUNRJUPCGLANOM-MHWRWJLKSA-N 422.846 4.581 5 40 HJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)cc1 1516414 RTNJNPVGFWOGOC-UHFFFAOYSA-N 404.245 4.733 5 40 HJBB Cc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 8040403 FZURJSSCPIJINN-UHFFFAOYSA-N 418.449 4.955 5 40 HJBB Cc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1[N+](=O)[O-] 13121432 GPXLKAVYEUATIR-UHFFFAOYSA-N 419.462 4.533 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21)c1ccccc1 409370631 BJMXFLZNXXJAGD-RFZJPIJTSA-N 420.852 4.643 5 40 HJBB COc1ccccc1OCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1893044 XROZAEYWNFVBAO-UHFFFAOYSA-N 413.455 4.525 5 40 HJBB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 3274970 ZHWBWUHZQCIAIQ-UHFFFAOYSA-N 423.425 4.530 5 40 HJBB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 14792836 JNNKCBROGHKROG-HJUDDPQBSA-N 415.449 4.738 5 40 HJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2s1 17091677 DNSYFUCDSUQVGD-UHFFFAOYSA-N 418.862 4.849 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@@H](c3ccc(C)cc3)C[C@H]21 19171739 LFNIEMJFVXENHE-PQNGQFLHSA-N 417.465 4.996 5 40 HJBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 21580618 ZPZACVKQKRFKBM-FMIVXFBMSA-N 414.421 4.799 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38853932 SHIUMNNRWURZPN-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB CC(C)c1ccc(CNCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 97002576 HKFSPTZROSWMKR-LJQANCHMSA-N 411.546 4.708 5 40 HJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCc2ccccc21 3400330 GWTBIIZBRJLZPB-NRFANRHFSA-N 407.857 4.991 5 40 HJBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCC1 6896444 AFIJSALHGIDTDY-UHFFFAOYSA-N 410.506 4.672 5 40 HJBB Cc1ccc([C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2)cc1 25921184 VSVSVFSEEPDRCA-QFIPXVFZSA-N 400.438 4.832 5 40 HJBB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(Nc2ccccc2)cc1 32754781 PYYOBTQNQDYOOO-IZZDOVSWSA-N 417.421 4.857 5 40 HJBB C[C@H]1CCC[C@@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398762 XRZJMGCZMKEROC-HOOSLVGPSA-N 413.521 4.757 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408696155 WXHJMMZSEDSHPK-UHFFFAOYSA-N 419.828 4.748 5 40 HJBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 3228363 ZTDJBPQOGKCQFD-UHFFFAOYSA-N 418.380 4.836 5 40 HJBB O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1[N+](=O)[O-] 5101041 JRQQJVNGDOLWJQ-BUHFOSPRSA-N 408.417 4.946 5 40 HJBB Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)o1 7245437 JOAVOVMGFGLINA-UHFFFAOYSA-N 416.506 4.688 5 40 HJBB C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 84655986 MGJLKEZNJXSPOL-VIFPVBQESA-N 417.181 4.867 5 40 HJBB Cc1[nH]c(CN(C)C(=O)Nc2cccc3cnccc23)nc1-c1cccc([N+](=O)[O-])c1 95963763 XCZDRCHVRRXZNX-UHFFFAOYSA-N 416.441 4.505 5 40 HJBB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 12776388 PHTAAUOYDAEOJO-WGLAMXGCSA-N 416.861 4.642 5 40 HJBB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 20885698 DNTWWGYBTIRAJE-UHFFFAOYSA-N 423.263 4.715 5 40 HJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 34828044 GZKNYDZKBPHNFA-HJWRWDBZSA-N 411.370 4.557 5 40 HJBB CC1CCN(C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 408974806 FAMKFMABGNBCKC-UHFFFAOYSA-N 407.477 4.752 5 40 HJBB CC(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 930729 RKSFKNJXDAKCPL-UHFFFAOYSA-N 413.433 4.531 5 40 HJBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(Br)cc1 3196965 WEYHJBOGSFMPCX-UNXLUWIOSA-N 413.174 4.611 5 40 HJBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Br)c1 5898188 SZQWTPAWLGBNGZ-UHFFFAOYSA-N 418.291 4.908 5 40 HJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4cccs4)cnc32)c1 6150854 QBPHUHJOCVQIMS-UHFFFAOYSA-N 423.501 4.702 5 40 HJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C 33879334 CTOXBEPETSWXSY-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB C[C@@H]1CCCCN1C(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313195 AVSRIUHIMYPRLU-CYBMUJFWSA-N 408.552 4.886 5 40 HJBB COc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl 72229537 UDFMHJKMDBEHBT-ZDUSSCGKSA-N 403.866 4.888 5 40 HJBB CCOc1ccccc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408572403 RASWSNHKZSNOFE-GOSISDBHSA-N 418.906 4.738 5 40 HJBB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2186765 UZSMLBBMBRATIM-UHFFFAOYSA-N 404.338 4.564 5 40 HJBB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 95977364 XARDJUHRTGFRGJ-JTQLQIEISA-N 402.756 4.523 5 40 HJBB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc12 101386662 YYOOWWADMLWCBX-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 409204928 DLFVZHVHDAFLRO-GZTJUZNOSA-N 423.812 4.601 5 40 HJBB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)ccc3C(=O)O2)cc1 11851803 OOPJFCFGKIKZIH-JOCHJYFZSA-N 416.433 4.918 5 40 HJBB COc1cccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)c1 408994553 GQFXACZFUMEZGW-UHFFFAOYSA-N 420.494 4.618 5 40 HJBB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 2628661 CZTQCTRCAQHRIM-UHFFFAOYSA-N 416.412 4.517 5 40 HJBB aggregator CC[N+](C)(CC)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6424770 COMNPYOVZNRIJP-SOKILOJTSA-N 417.658 4.583 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1Cl 8907751 SYXBCDCUPQUKAX-UHFFFAOYSA-N 401.271 4.782 5 40 HJBB C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C 78821407 YHZFLBIVUQGKOB-HNNXBMFYSA-N 415.453 4.716 5 40 HJBB O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1Cl 408728299 ZIXIRFHTJFDTCH-UHFFFAOYSA-N 410.948 4.531 5 40 HJBB CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(OC)ccc3nc21 2194182 BSYMQVRNQRKKGN-UHFFFAOYSA-N 419.441 4.554 5 40 HJBB O=[N+]([O-])c1ccc(NCCCNc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)c1 4899041 YMPTXGOJTHREPA-UHFFFAOYSA-N 407.839 4.680 5 40 HJBB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 9958988 RKDXCOYZSSEPTH-SCOAYWHSSA-N 418.396 4.582 5 40 HJBB Cc1cccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] 12816811 MCWWEJOXBILJFP-QGZVFWFLSA-N 417.465 4.989 5 40 HJBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222978546 UIFOFNFYKQGXDO-RTWAWAEBSA-N 421.526 4.553 5 40 HJBB O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)c1 1315543 JEKCAPWXJQDJPD-UHFFFAOYSA-N 406.254 4.518 5 40 HJBB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 9329534 OARNUICCGIDMSI-UHFFFAOYSA-N 416.393 4.573 5 40 HJBB CCc1ccc([C@@H]2N[C@@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 36213193 JTRXAGQKEBNGGS-MYGLTJDJSA-N 411.502 4.514 5 40 HJBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(O)nc2ccccc12 409177600 CMTNYCHIQIJBBQ-UHFFFAOYSA-N 416.389 4.998 5 40 HJBB Cc1ccc2nc(-c3ccc(N4N=C(c5cccc([N+](=O)[O-])c5)CC4=O)cc3)[nH]c2c1 4113039 FAGVJVIHDVHUGU-UHFFFAOYSA-N 411.421 4.588 5 40 HJBB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20611346 MTAMYTZDZUEUOU-UHFFFAOYSA-N 421.438 4.518 5 40 HJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 72229340 MTDFLPVLESPQSX-UHFFFAOYSA-N 424.682 4.863 5 40 HJBB CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408579193 DNGPJVPFUOQVFX-UHFFFAOYSA-N 410.451 4.629 5 40 HJBB CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 2085400 RXUMCJBOZFASNH-GFCCVEGCSA-N 416.499 4.909 5 40 HJBB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 5601016 YPDLFOJNULJGOM-QGZVFWFLSA-N 407.363 4.681 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc2ccccc2c1 9404497 HHFWKFOCXMNOKZ-UHFFFAOYSA-N 416.462 4.933 5 40 HJBB CCOc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1Cl 10010566 AVQOQDPCNGKZDL-UHFFFAOYSA-N 407.835 4.518 5 40 HJBB COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@@+](C)(Cc1ccc(O)cc1)CC2 245239427 ISWWMWNKTBYUCP-SHQCIBLASA-O 420.529 4.602 5 40 HJBB O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 408528745 WIGKXDIZSIGNTL-UHFFFAOYSA-N 412.214 4.746 5 40 HJBB COc1ccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 408717897 PQYCKNNAXDUQDO-UHFFFAOYSA-N 416.377 4.503 5 40 HJBB COc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 974477 OXBAKTUJTQHPGN-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2964572 VFFCPRDDNNZHQP-SCLBCKFNSA-N 408.483 4.533 5 40 HJBB CCc1nnc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)s1 7347043 YASIUMURZGOHNN-UHFFFAOYSA-N 404.448 4.551 5 40 HJBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 20610543 BPHVDYZLLLWZQQ-UHFFFAOYSA-N 401.426 4.704 5 40 HJBB C[C@H]1CC(=O)c2c(OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc(Cl)c21 31871391 FZMHYOGJEPHJLG-VIFPVBQESA-N 409.225 4.609 5 40 HJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1 408695282 PIXPSPMZIMJYAW-UHFFFAOYSA-N 417.400 4.542 5 40 HJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)c1 2345544 TVKIIRIHVMDJOW-UHFFFAOYSA-N 411.509 4.892 5 40 HJBB CC(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 5236122 YITRZUWFAZILKJ-UHFFFAOYSA-N 408.820 4.853 5 40 HJBB Cc1nc(Nc2cccc(Br)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5276884 CHLNHBYQCCOREQ-UHFFFAOYSA-N 414.263 4.967 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc2ccccc12 9347254 CILHELOYLFBJEF-UHFFFAOYSA-N 416.462 4.933 5 40 HJBB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)SCC(O)=N2 44920688 IIXAQADFYQJIIU-KRWDZBQOSA-N 415.862 4.562 5 40 HJBB O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2cc(F)cc(F)c21 50332614 QYRCPBSJUUNJKH-UHFFFAOYSA-N 401.394 4.590 5 40 HJBB COc1ccc(OC)c(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c1 3125659 UIGYLUUQXWCGNO-UHFFFAOYSA-N 400.412 4.718 5 40 HJBB COc1ccc(OC)c(NC(=O)c2sccc2Oc2ccc(F)cc2[N+](=O)[O-])c1 3128446 NLIWJGYONHBXAV-UHFFFAOYSA-N 418.402 4.857 5 40 HJBB CC(C)CCNc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1[N+](=O)[O-] 4114705 UVPNCYMYOKKKIN-UHFFFAOYSA-N 412.515 4.897 5 40 HJBB CC(C)Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 6313618 AWDSKAPJIJHJPF-UHFFFAOYSA-N 418.906 4.985 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(OCc2cscn2)c1 10903339 CGSZUOZQZUOSOJ-UHFFFAOYSA-N 417.874 4.556 5 40 HJBB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 14792837 JNNKCBROGHKROG-MAUBAPBLSA-N 415.449 4.738 5 40 HJBB Cc1ccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 24512451 LKZHDKIRHJLBBL-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 106708698 PTCLHLNJVKKTHF-MOSHPQCFSA-N 419.462 4.930 5 40 HJBB Cc1cc(Cl)c(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 1524861383 JBEBGKZNOFOWGA-UHFFFAOYSA-N 423.900 4.668 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 973626 RWTNEBARVLEERD-DEDYPNTBSA-N 421.840 4.658 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1 58171912 CVCOTYPRMKAFSH-UHFFFAOYSA-N 416.412 4.898 5 40 HJBB Cc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c3ccccc3c2=O)c1 5206069 CGORWVOTTOKICN-UHFFFAOYSA-N 413.433 4.674 5 40 HJBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccccc2C)c1 408695816 SOPKKGFQBDWZKG-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=[N+]([O-])c1c(O)nc(/C=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1O 409328933 ARHMOTOUSGEPBZ-JXMROGBWSA-N 422.828 4.623 5 40 HJBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2333690 RKXWYNDUBZDCHJ-UHFFFAOYSA-N 411.509 4.955 5 40 HJBB CCCOc1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1OCCC 40116126 FHTZLCJHKANVFA-UHFFFAOYSA-N 410.517 4.965 5 40 HJBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 409206277 SPVYVRQKWHWQNC-VZCXRCSSSA-N 401.875 4.673 5 40 HJBB CC(C)CCOC(=O)/C=C/c1ccc(/C=C/C(=O)OCCC(C)C)c([N+](=O)[O-])c1 3845222 AVWRDQLIAURRJL-OAMUUVBCSA-N 403.475 4.800 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(Oc2ccccc2)c1 223739527 PSGMRDBYZADJPG-UHFFFAOYSA-N 412.467 4.516 5 40 HJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccccc2)no1 2241821 LYZFHLBDDQBFPC-OAQYLSRUSA-N 408.413 4.992 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N[C@H](c3ccc(C)cc3)C[C@H]21 19171733 LFNIEMJFVXENHE-YZUZCNPQSA-N 417.465 4.996 5 40 HJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 39748235 OEVBTXIOQMEUPH-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 1102613 ALVNBXLDTISVCJ-UHFFFAOYSA-N 402.472 4.663 5 40 HJBB O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1c2ccccc2Sc2ccccc21 11469337 FOWQJQWGYBCPKH-UHFFFAOYSA-N 420.446 4.510 5 40 HJBB COc1ccc(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccccc4[C@H]3C2)cc1 36416660 DRONVMYLHJOTNP-GGAORHGYSA-N 401.422 4.846 5 40 HJBB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2964569 VFFCPRDDNNZHQP-UGSOOPFHSA-N 408.483 4.533 5 40 HJBB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 12522150 XGNUSSRUQJJGSL-UHFFFAOYSA-N 424.859 4.511 5 40 HJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17088426 CMACKCHOXNQNFO-UHFFFAOYSA-N 410.367 4.625 5 40 HJBB C[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 62923527 CPPBKFVAEBFXKO-SFHVURJKSA-N 418.497 4.639 5 40 HJBB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408675258 GXGHNSGLYCIYNM-UHFFFAOYSA-N 413.433 4.953 5 40 HJBB Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 409181680 DTXRFCCFPYRXLV-OAQYLSRUSA-N 420.377 4.592 5 40 HJBB Cc1ncc(NC(=O)c2ccccc2[N+](=O)[O-])n1-c1nc(-c2ccc(F)cc2)cs1 32615877 QXAOSCBJSWCECO-UHFFFAOYSA-N 423.429 4.604 5 40 HJBB CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 32818871 CRNVLZIMUNYQSP-DHZHZOJOSA-N 401.394 4.733 5 40 HJBB C[C@H]1[C@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889617 INWAIRBJADEMBM-HIIUDZQISA-N 423.416 4.794 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 1067909 FQZHDSTUFDOPRP-JTQLQIEISA-N 422.890 4.864 5 40 HJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc12 1417289 BVHIVGFGCSCUNK-UDWIEESQSA-N 420.446 4.993 5 40 HJBB Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12 2394680 UIEUPAYQRVTMSH-UHFFFAOYSA-N 420.472 4.732 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc12 10010663 NIUFDPMEDRUUON-UHFFFAOYSA-N 421.862 4.501 5 40 HJBB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc([N+](=O)[O-])cc1Cl 13843274 SKDXMGBLDCCVGK-UHFFFAOYSA-N 421.796 4.669 5 40 HJBB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] 725974 ZPARNYIMONBDJY-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB O=C(c1ccccc1[N+](=O)[O-])N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 96822837 SPCBOCWBTRVPTP-TWGQIWQCSA-N 416.433 4.726 5 40 HJBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409195227 SJQBBIVIYDOHSU-LZYBPNLTSA-N 420.830 4.506 5 40 HJBB Cc1cc(OC(=O)c2ccccc2Cl)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)o1 3206270 KEGNGUVRIRLILY-UHFFFAOYSA-N 417.826 4.880 5 40 HJBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Br)cc1 5259632 LHEJISHZTQUAOA-UHFFFAOYSA-N 408.255 4.806 5 40 HJBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 101350281 UEDIDGULWDOLMD-UHFFFAOYSA-N 404.353 4.760 5 40 HJBB Cc1nc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 408624580 XXHUGGIAKDALEL-UHFFFAOYSA-N 402.204 4.573 5 40 HJBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 6238080 NHDXIWCLDJZNMC-UHFFFAOYSA-N 407.813 4.986 5 40 HJBB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1[N+](=O)[O-] 12900732 PNYOEYJUXQWRHU-UHFFFAOYSA-N 405.414 4.741 5 40 HJBB Cc1cccc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] 84225741 HVTCESWWHHMOOM-UHFFFAOYSA-N 423.296 4.688 5 40 HJBB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1[N+](=O)[O-] 2646616 OZOODPFOMLSSJY-UHFFFAOYSA-N 414.512 4.518 5 40 HJBB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 32771503 PIKSKSPFNNXBJE-HNNXBMFYSA-N 419.441 4.678 5 40 HJBB O=C(/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccccc1 100930850 BKVPGHJUIZBONE-FCQUAONHSA-N 401.447 4.855 5 40 HJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)Sc1ccccc1O2 5582854 SDLRLGOGUPLRJU-UHFFFAOYSA-N 400.437 4.653 5 40 HJBB CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 20455346 PNYJCXAEPIPLOU-UHFFFAOYSA-N 409.467 4.665 5 40 HJBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408565642 CPRAGSZAIUNDKJ-SFHVURJKSA-N 418.906 4.656 5 40 HJBB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3O)nc2c1 1296648 PUPLLAYPQVXLEM-UHFFFAOYSA-N 403.394 4.978 5 40 HJBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c3ccccc3c2=O)cc1 5302654 HXQMPVPBXOUDQU-UHFFFAOYSA-N 413.433 4.674 5 40 HJBB COc1ccc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)cc1OC 8586924 ULZKHFMBYMPRTQ-CQSZACIVSA-N 424.457 4.708 5 40 HJBB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccc([N+](=O)[O-])cc1 28221633 ZBQRGQFCBZIKKA-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[C@@H](C)c1ccccc1 2324036 USQDVZCVNXWBHM-SFHVURJKSA-N 421.500 4.833 5 40 HJBB CCOC(=O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 8071802 ZQEKCWJIWOTBCV-UHFFFAOYSA-N 404.831 4.892 5 40 HJBB O=C(NCc1ccccc1)[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 9191561 JYXYRAJKQCWSIO-FQEVSTJZSA-N 418.478 4.621 5 40 HJBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccnc1SCc1ccc(F)cc1 40133363 QHHNDNFIGLGFBQ-UHFFFAOYSA-N 411.458 4.693 5 40 HJBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(F)cc2)c1 408695660 RWDLHNANVYWCJF-UHFFFAOYSA-N 417.400 4.542 5 40 HJBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCC1 408976596 RVDKOMAUYZNUJF-UHFFFAOYSA-N 408.465 4.897 5 40 HJBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 409179622 SDEAVMRMTMZSJH-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2441348 QNSKWDODFZACEE-UHFFFAOYSA-N 415.472 4.777 5 40 HJBB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 41091583 MCAAMDUJJOUUCZ-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB Cc1ccccc1-c1nc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2o1 3115203 XKKNCLDJXQJHDQ-UHFFFAOYSA-N 418.365 4.872 5 40 HJBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 58445341 HEOAKFUYVXMPRV-AWEZNQCLSA-N 423.856 4.992 5 40 HJBB COC[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7977063 RNHJHHFKSHVOFM-NSHDSACASA-N 414.405 4.530 5 40 HJBB Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1[N+](=O)[O-] 22185004 ZZUMFBPCFWVTBT-UHFFFAOYSA-N 407.348 4.523 5 40 HJBB C[C@H]1[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889638 KHPBXOQVAOCUSR-ORCHDJNQSA-N 407.854 4.568 5 40 HJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1Cl 2428754 MRPDMVNUNSEQDL-UHFFFAOYSA-N 417.900 4.983 5 40 HJBB O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 4597440 MLZIPSPTNTZUDA-UHFFFAOYSA-N 410.792 4.954 5 40 HJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)cc1 5271569 ZZGXSQDQHGFRSW-UHFFFAOYSA-N 406.445 4.563 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38853885 UGKBYCWBLQZYGA-AWEZNQCLSA-N 408.285 4.752 5 40 HJBB COc1ccc2c(c1)Cc1sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc1-2 409055398 YFFSBIQKLOKNPY-UHFFFAOYSA-N 401.831 4.537 5 40 HJBB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9441416 TYTATIRGVYUZGM-MRVPVSSYSA-N 417.632 4.739 5 40 HJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1cccs1 11614635 FDIKOGXLCXHVAR-FQEVSTJZSA-N 418.518 4.505 5 40 HJBB CCCC(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(CCC)n3c4ccccc4nc3c12 13211630 ORMANWMJTVIBRS-INIZCTEOSA-N 420.513 4.674 5 40 HJBB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17089032 IQPLBDJAPRHDRL-FARCUNLSSA-N 411.639 4.671 5 40 HJBB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 1413919 JCBKLHRJUGUESC-UHFFFAOYSA-N 417.421 4.983 5 40 HJBB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cc([N+](=O)[O-])ccc1Cl 3008134 MLWDZAIWKWXGPD-UHFFFAOYSA-N 418.837 4.572 5 40 HJBB Cc1cccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)c1 16806315 AIVGHGDVRPGRNA-UHFFFAOYSA-N 407.403 4.957 5 40 HJBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 19927275 IIKYTHODXVLQGF-UHFFFAOYSA-N 416.890 4.810 5 40 HJBB Cc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)c1 101342769 MYXAZCPXFDDXBQ-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB Cc1cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1[N+](=O)[O-] 6826117 MPUBCMCFWFVNQT-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 10542703 GLBUYKLQMQBWCA-UHFFFAOYSA-N 414.820 4.896 5 40 HJBB Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CCCCC3)c(=O)[nH]c2c1 13514505 KZTINXKGBPLQHP-UHFFFAOYSA-N 419.481 4.720 5 40 HJBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1C 408574477 UXFYZJBXGJXNII-SFHVURJKSA-N 402.907 4.956 5 40 HJBB Cc1c(OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 629670 VKCDXFXQZRWLNU-GOSISDBHSA-N 423.465 4.560 5 40 HJBB CSc1ccc(S(=O)(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1 4624685 KTKDGXHCEMHYCY-UHFFFAOYSA-N 413.545 4.937 5 40 HJBB Cc1c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cccc1[N+](=O)[O-] 9569232 OXXOJJFMYBSLAY-UHFFFAOYSA-N 421.478 4.810 5 40 HJBB C[C@H]1C[C@H](C)CN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)C1 35313211 QJZUABXQJNNFLX-KBPBESRZSA-N 422.579 4.989 5 40 HJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215143293 QQOOJYMOEAFBSX-LZYBPNLTSA-N 422.821 4.632 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408695491 QUOHTHNCIHVGPS-UHFFFAOYSA-N 419.828 4.748 5 40 HJBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc(Cl)ccc1Cl)[N+](C)(C)CC3)OCO2 1323076 NWPWOAGXJYNWJY-MRXNPFEDSA-N 423.316 4.677 5 40 HJBB biogenic Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1-c1cccc(Cl)c1 40070185 MHYHJOVEBSOTHF-UHFFFAOYSA-N 419.268 4.668 5 40 HJBB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-] 848273 KCZRGYMAHOHNCX-UHFFFAOYSA-N 418.272 4.657 5 40 HJBB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(CC(C)C)cc1)[N+](C)(C)CC3)OCO2 1280175 SXVBRXBANMNIDB-FQEVSTJZSA-N 410.534 4.569 5 40 HJBB biogenic CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 40149947 ZXSWFXLWSLGLAR-UHFFFAOYSA-N 407.474 4.862 5 40 HJBB CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(=O)OC)C1 2755566 OCPZXWRLQWSWTC-LBPRGKRZSA-N 402.472 4.519 5 40 HJBB CC(C)c1ccc(NC(=O)c2cnn3c(-c4cccc([N+](=O)[O-])c4)ccnc23)cc1 2798212 XVZRXHJEPKGGLC-UHFFFAOYSA-N 401.426 4.680 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 9441528 PGXVNVBGKRVTDT-UHFFFAOYSA-N 424.482 4.579 5 40 HJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(O)cc1 408847870 VOCAZTFALIYGEV-NTUHNPAUSA-N 400.799 4.513 5 40 HJBB CC(C)Oc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 858944 DHQBBVQXGNZWJS-UHFFFAOYSA-N 403.485 4.723 5 40 HJBB Cc1cccc2cc3c(N)c(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)sc3nc12 872645 PIFKCDHMDQIGDJ-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB CS(=O)(=O)c1ccc(NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 5688371 KMSAGMBWAXVCPK-UHFFFAOYSA-N 410.495 4.632 5 40 HJBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Br)cc3)o2)cc1 7365287 HYLWIXKMFDSFAF-UHFFFAOYSA-N 416.275 4.819 5 40 HJBB Cc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)n2)cc1 9582079 YOIKKAIDBZGYCH-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 13000379 DVPJNDMQFAJUPX-UHFFFAOYSA-N 421.837 4.604 5 40 HJBB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc([N+](=O)[O-])c1C 13008693 PAQAOIZWUWKGEW-UHFFFAOYSA-N 414.849 4.659 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1Br 40943807 BNQVHTMTFZRYEY-UHFFFAOYSA-N 407.264 4.807 5 40 HJBB O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CCCc1ccccc1 409137092 ZYGHGAKLRBTCIX-SFQUDFHCSA-N 402.859 4.917 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CSC3)cc1 2483554 PGAWQKLLMFKKHU-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226767480 NCZWLPXZRMIUJN-UHFFFAOYSA-N 424.796 4.938 5 40 HJBB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-] 408713970 DXLUODWIWGXIJC-UHFFFAOYSA-N 408.458 4.523 5 40 HJBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1 2409846 DJOZHBVBLIDKRS-UHFFFAOYSA-N 415.497 4.824 5 40 HJBB COc1cccc([C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 12550770 UPOZOXOQUOBVFH-KRWDZBQOSA-N 406.364 4.557 5 40 HJBB CCCCOCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 72288262 RZCJXYHJGNNLTE-UHFFFAOYSA-N 421.291 4.821 5 40 HJBB Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)c1 101329308 KMBJMZCNKJQKMS-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCc3cccc4ccccc34)cc2)nc1O 409331691 OZMZMSBKYCKCRE-RAXLEYEMSA-N 415.405 4.699 5 40 HJBB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 9508357 DFZHVESBDQFBGZ-AWEZNQCLSA-N 423.856 4.992 5 40 HJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 9631534 LVDMXSKHBHPBDA-UHFFFAOYSA-N 424.404 4.714 5 40 HJBB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 26926254 AJJQWHMFHXCOKB-KRWDZBQOSA-N 417.465 4.609 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 793972 RWGZGCQAEQFXDE-UHFFFAOYSA-N 408.439 4.565 5 40 HJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 12576011 LKLJHUQSIIPDDB-HNNXBMFYSA-N 420.494 4.733 5 40 HJBB O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 38753026 UEFTXBPRXGIAIL-UHFFFAOYSA-N 404.831 4.841 5 40 HJBB O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 79110805 DARCIZSXAYNAQN-QGZVFWFLSA-N 405.414 4.513 5 40 HJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 5141787 SOPGDRKYGQBYCO-XXBNENTESA-N 415.405 4.566 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(C(F)(F)F)cc1 3248557 RTWHNSVUNJYXQY-UHFFFAOYSA-N 413.402 4.954 5 40 HJBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 7342076 RHGSNPRGFUZIQU-UHFFFAOYSA-N 402.863 4.502 5 40 HJBB O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 10186772 YJAIZJYFRPRELC-UHFFFAOYSA-N 422.441 4.515 5 40 HJBB CCOc1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 10448490 JXFMGWDJGNJKMX-XQNSMLJCSA-N 402.450 4.851 5 40 HJBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CC[C@H]4CCCC[C@@H]4C3)nc21 28629321 WKVMTXJWGZKVOF-HZPDHXFCSA-N 421.505 4.515 5 40 HJBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)NCc1ccccc1 35313353 UDLFRDFNMYQFPN-UHFFFAOYSA-N 416.531 4.801 5 40 HJBB Cc1c(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] 40127218 DHSXNIXSSQPTCG-OAHLLOKOSA-N 416.528 4.695 5 40 HJBB COC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925850 QZVVJGWLWRSAMT-HMMYKYKNSA-N 402.406 4.561 5 40 HJBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1C 885989 VZWJNQKFRCJOAA-UHFFFAOYSA-N 401.426 4.506 5 40 HJBB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3516477 YYOAULQWHXMSLK-UHFFFAOYSA-N 421.474 4.940 5 40 HJBB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc12 12783528 QUCGRIHJEHHKGK-UHFFFAOYSA-N 420.922 4.896 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2254058 CNOYZBKOPINXNE-UHFFFAOYSA-N 417.900 4.652 5 40 HJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2nc3ccccc3s2)cs1 4176339 MXSPIGMPZORCKO-JXMROGBWSA-N 408.464 4.980 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264932 HRRXAHLETOWWHI-UHFFFAOYSA-N 408.414 4.586 5 40 HJBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 21580477 KXVZZHHXIMWFHT-UHFFFAOYSA-N 402.410 4.707 5 40 HJBB Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 4851717 NMNSUTBVWGSTCG-XKZIYDEJSA-N 414.417 4.827 5 40 HJBB COc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229577 OFBLDSAAUVWMKC-ZDUSSCGKSA-N 403.866 4.888 5 40 HJBB Cc1cc(C)c2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3Br)coc2c1 1105723 YOJAZNKGAITHBD-UHFFFAOYSA-N 403.232 4.902 5 40 HJBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 2165229 AUQQDGVMLXXOBL-NVNXTCNLSA-N 420.830 4.593 5 40 HJBB Cc1ccc2nc3sc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c(N)c3cc2c1 4994005 RRMXPEFJPGCBLV-UHFFFAOYSA-N 403.423 4.965 5 40 HJBB Cc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 10254232 IPIHDKKROUSKCD-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 32843084 ZIJRFHVBTUXALX-UHFFFAOYSA-N 402.834 4.803 5 40 HJBB C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40112935 ZVIFHLGOXIHHAM-MRXNPFEDSA-N 404.897 4.556 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2[nH]c(C3CCC3)nc2c1 72058550 LBKPKENWDVJVIJ-UHFFFAOYSA-N 422.488 4.937 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222856368 QTDOQBFYQJRKRX-VQTJNVASSA-N 408.483 4.631 5 40 HJBB O=C(O)/C=C/c1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 226322517 ZCCQWSRFNZOJNC-BQYQJAHWSA-N 402.815 4.813 5 40 HJBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 3268950 JHCDIYPSPCMPIT-UHFFFAOYSA-N 403.463 4.645 5 40 HJBB COc1ccccc1-c1noc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)n1 8586846 OOIJTPSJVXSMEE-UHFFFAOYSA-N 416.437 4.975 5 40 HJBB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 20151035 ISOHAHIUMRGBNO-UXBLZVDNSA-N 406.394 4.822 5 40 HJBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)NCc2ccco2)ncnc13 35313593 HLWZUYJZJMHPCA-UHFFFAOYSA-N 420.519 4.703 5 40 HJBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 100499684 LJKSQTVMWWREBT-UHFFFAOYSA-N 423.385 4.635 5 40 HJBB CCC(=O)Oc1cn(-c2cccc(F)c2)c2nc(CC)n3c4ccccc4nc3c12 13541598 CBIINZRPBQMDHV-UHFFFAOYSA-N 402.429 4.843 5 40 HJBB CN1/C(=C\C=C2\N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)C(C)(C)c2ccccc21 103787818 PUXBWMYPUMRKLE-XYIOUJPTSA-N 423.856 4.747 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](CC)C2 4577034 SWQZUTJVKKCBHN-CYBMUJFWSA-N 416.499 4.909 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222892513 XVDZCKWRMIQGHU-UXHICEINSA-N 408.483 4.632 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 934712 PUSKRQCKMPAHMR-PGRDOPGGSA-N 405.410 4.747 5 40 HJBB Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5164585 WVXQKCMEUYJHHT-UHFFFAOYSA-N 405.245 4.630 5 40 HJBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408908575 WJEKAHWXOJKOFI-CJLVFECKSA-N 416.433 4.951 5 40 HJBB CCC(=O)Oc1cn(Cc2ccc(F)cc2)c2nc(CC)n3c4ccccc4nc3c12 5460869 WKEJMQJBSSSQPI-UHFFFAOYSA-N 416.456 4.902 5 40 HJBB CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)o1 408633351 XVGRQYLEDXXSPJ-ZSOIEALJSA-N 421.818 4.671 5 40 HJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)CCCC4)c1 5100832 HGBODIYSZFGAOG-UHFFFAOYSA-N 406.847 4.674 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 10846310 KIMUIONLBJGEAX-UHFFFAOYSA-N 422.407 4.573 5 40 HJBB Cc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] 12601268 KIVPFUYIEJXNKJ-FQEVSTJZSA-N 414.465 4.504 5 40 HJBB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1csc([N+](=O)[O-])c1 44469461 CBTBFKCGCSJFKU-UHFFFAOYSA-N 417.878 4.547 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222901866 XHYXBDKXBXIOBI-WOJBJXKFSA-N 408.483 4.632 5 40 HJBB O=C(COC(=O)c1sccc1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 10985593 LGHSFSSLHKCPOZ-UHFFFAOYSA-N 416.842 4.772 5 40 HJBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 20411463 WSXLWPZSCPOAKY-UHFFFAOYSA-N 413.455 4.722 5 40 HJBB Cc1cccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1C 223900576 JVSKFSIGPTWCTF-HAVVHWLPSA-N 416.477 4.947 5 40 HJBB O=C(CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)Nc1ccccc1 12779854 SDUSQTFMDGUJQI-UHFFFAOYSA-N 409.829 4.534 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)NC2CCCCC2)c1)NC1CCCCC1 6925808 IIYKPBBFCWPKED-UHFFFAOYSA-N 403.483 4.503 5 40 HJBB O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccco1 11181058 LYMPZEHEXSFPQO-UHFFFAOYSA-N 417.377 4.952 5 40 HJBB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 216096077 HPYNLXAJXOXCQW-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 5576786 UEXIVPKUBVSPOF-XXBNENTESA-N 415.405 4.566 5 40 HJBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc12 8209329 JWNMWWKWMWURFJ-UHFFFAOYSA-N 406.423 4.529 5 40 HJBB COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@H]21 4424289 PUSKRQCKMPAHMR-XMSQKQJNSA-N 405.410 4.747 5 40 HJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2cc3ccccc3oc2=O)c1 12857749 JXKPAAKYTZLJGN-UHFFFAOYSA-N 404.353 4.760 5 40 HJBB CCc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 223425958 RLWLGHKZLKYBOE-HKOYGPOVSA-N 416.477 4.893 5 40 HJBB Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-] 1000047 PGXDXVURDYLJHY-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 5151579 VJOMATYMQIZYIX-UHFFFAOYSA-N 403.873 4.655 5 40 HJBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 10475619 QFAPMNNKYAZKFU-UHFFFAOYSA-N 406.261 4.623 5 40 HJBB COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1OC 20411970 NCQJSDIBVNYQPN-UHFFFAOYSA-N 419.393 4.673 5 40 HJBB CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408569107 IVXPRFDLYIYXQC-SFHVURJKSA-N 400.529 4.716 5 40 HJBB CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 3277900 JMIPTJITFNSAFX-UHFFFAOYSA-N 401.513 4.557 5 40 HJBB O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)OCCC12CC3CC(CC(C3)C1)C2 20436480 NHUMBXJDOBYURL-UHFFFAOYSA-N 421.925 4.993 5 40 HJBB CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 688782 CVPBXSWNKJGGTK-MRXNPFEDSA-N 415.862 4.715 5 40 HJBB CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1C1CCCCC1 793612 GHXNGRRFVNJMAC-AWEZNQCLSA-N 417.535 4.682 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccnc3[N+](=O)[O-])ccc21 5971268 QSBNSYKEZLCENC-CQSZACIVSA-N 404.426 4.524 5 40 HJBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2ncc3ccc([N+](=O)[O-])cc32)cs1 9317442 MSDDOJRSYHBFLY-UHFFFAOYSA-N 421.482 4.751 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408622677 QLFLCNAAOJGERF-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1CCCc1ccccc1 409147598 VJNFVLHBOKYHBY-MHWRWJLKSA-N 418.858 4.623 5 40 HJBB Cc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C 9514012 JLPSIIWMZQUGSW-ZDUSSCGKSA-N 422.470 4.602 5 40 HJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br 72229255 LSQXLYXCGUKLBK-UHFFFAOYSA-N 424.682 4.863 5 40 HJBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nc2ccccc2[nH]1 408634136 PONWGSZOESKFDG-CPNJWEJPSA-N 424.482 4.679 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2403126 RECLMOYRKLQRGK-MRXNPFEDSA-N 411.509 4.817 5 40 HJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)c1 2428872 UXDDSFVQXAIABU-UHFFFAOYSA-N 411.509 4.947 5 40 HJBB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1cc([N+](=O)[O-])ccc1Cl 19927360 VAXPGCSFPKAZMB-UHFFFAOYSA-N 409.254 4.662 5 40 HJBB COc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C 8021282 ONLJGCOPWAPZQM-UHFFFAOYSA-N 400.818 4.755 5 40 HJBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 408714042 HGOOXYUCWXXLIJ-VGOFMYFVSA-N 420.469 4.614 5 40 HJBB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 9668149 RRXKFFNZCJDCOQ-UHFFFAOYSA-N 422.422 4.675 5 40 HJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 5446815 CBHYJDAVENFPHP-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB Cc1c(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cccc1[N+](=O)[O-] 12654403 HXURQQMIYUCQMZ-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16384549 RSHKRHQBLMGWLR-UHFFFAOYSA-N 414.893 4.701 5 40 HJBB C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 32936805 SOZSYOWPQIQANK-SSDOTTSWSA-N 400.744 4.610 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 43342869 SYLBBVCOPKUOFU-QGZVFWFLSA-N 417.849 4.779 5 40 HJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(C(=O)c2ccccc2)cc1 4031667 QRBQEGWRVHHRPL-UHFFFAOYSA-N 403.419 4.688 5 40 HJBB O=C(Nc1ccccc1[N+](=O)[O-])c1nc(SCc2ccccc2)ncc1Cl 6282351 KFYRCRRLFYDVRK-UHFFFAOYSA-N 400.847 4.583 5 40 HJBB CC(C)Nc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] 13633097 XTNUXSCMHTYATF-UHFFFAOYSA-N 424.545 4.675 5 40 HJBB COc1ccc(Cn2c(C3CCCCC3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2436103 UZFIGKFSGREPBV-UHFFFAOYSA-N 416.477 4.608 5 40 HJBB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 2737394 AHWBGNKFVPOBMC-GFCCVEGCSA-N 415.515 4.549 5 40 HJBB Cc1c(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)cccc1[N+](=O)[O-] 8012992 KCQQMJVJWCSOJB-UHFFFAOYSA-N 415.453 4.504 5 40 HJBB CCCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408749347 GBVFBYHMZBTKAV-UHFFFAOYSA-N 417.468 4.657 5 40 HJBB CC(C)c1ccc(O[P@](C)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4697701 KOCPINVNGRHPQH-NDEPHWFRSA-N 403.419 4.742 5 40 HJBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC 8253669 UCYDPXBYSVTFKW-UHFFFAOYSA-N 414.289 4.511 5 40 HJBB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)c1 9730556 HXXYQAGBNXKJJY-BOPFTXTBSA-N 416.480 4.690 5 40 HJBB CC(C)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccncc2)no1 95348906 DTOSNEGSAWHJTK-FQEVSTJZSA-N 419.441 4.787 5 40 HJBB Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1C 106740447 XUISULGAGREOEI-ODLFYWEKSA-N 407.451 4.631 5 40 HJBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9613340 AKSMTWCOGHNTKK-UHFFFAOYSA-N 418.755 4.545 5 40 HJBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC(F)F)cc1 12528038 WKPBGTMYJZBULI-HNNXBMFYSA-N 422.431 4.634 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C1CCCCC1 2307824 RNTFSDIMVYALEQ-UHFFFAOYSA-N 409.493 4.848 5 40 HJBB CC(C)n1ncc2c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc(-c3ccco3)nc21 11227570 TZGVPPFLBIECKF-UHFFFAOYSA-N 409.377 4.572 5 40 HJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H](C)n3nc(C(F)F)cc3C)nc12 17089527 YJDALTBIRXIWGB-LLVKDONJSA-N 413.457 4.556 5 40 HJBB O=c1c2c(-c3ccccc3)ccnc2n(Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 17093020 CEBDAQXAPOJDNI-UHFFFAOYSA-N 422.444 4.811 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 58162071 ZPWMWMNPDCNRQJ-UHFFFAOYSA-N 422.372 4.506 5 40 HJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c2ccccc12 226768408 OXRHXNHUBCPVBN-UHFFFAOYSA-N 418.405 4.901 5 40 HJBB O=C(NCCSCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921785 XHLBTINJVZRXAL-RCCKNPSSSA-N 408.479 4.778 5 40 HJBB Cc1nn(CC(=O)c2cc(C)n(CCc3ccc(Cl)cc3)c2C)c(C)c1[N+](=O)[O-] 8394993 LKSMNQWVGSYMSG-UHFFFAOYSA-N 414.893 4.605 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 11227529 VOYWWTYZZYLXIZ-UHFFFAOYSA-N 405.414 4.741 5 40 HJBB CC(C)(C)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 27749734 FNRJEPHIYWIOSB-UHFFFAOYSA-N 419.481 4.900 5 40 HJBB Cc1oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccccc1 1447962 CPHLXGMOEDFMPF-UHFFFAOYSA-N 401.374 4.896 5 40 HJBB biogenic COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccn2)cc1 2351219 BGMBJHKIFLOQBF-UHFFFAOYSA-N 419.466 4.538 5 40 HJBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1ccccc1Cl 4328719 MNRRUOIQWUSSSG-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 17091675 WTPPEHKCBLWQGX-UHFFFAOYSA-N 418.862 4.849 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 17093320 SHOGGZPTBQVBFX-JTQLQIEISA-N 422.890 4.864 5 40 HJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1OCc1ccccc1 2302729 BPVUBZLJGSDDFZ-ZHZULCJRSA-N 400.390 4.518 5 40 HJBB O=C(/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])c(NC(=O)/C=C/c2ccccc2)c1 4599886 GITCDFMBCRROKP-JOBJLJCHSA-N 413.433 4.899 5 40 HJBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)cc1 6615555 TVHOOUCCCJAUAU-UHFFFAOYSA-N 407.426 4.990 5 40 HJBB O=C(NCc1ccccc1)[C@H](Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 9191559 JYXYRAJKQCWSIO-HXUWFJFHSA-N 418.478 4.621 5 40 HJBB O=C(N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 27496268 BXIRNOSPEVCCIX-AWEZNQCLSA-N 424.067 4.753 5 40 HJBB O=[N+]([O-])c1ccc(-c2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 48289001 HWGMOWWMTVAAJU-JOCHJYFZSA-N 412.449 4.793 5 40 HJBB O=C(NC(=S)Nc1ccccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107990402 PYKWOACGIFTMPW-UHFFFAOYSA-N 401.831 4.635 5 40 HJBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccccc2C)cc1 408694591 KRWFDDAXLATOOU-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=c1c([N+](=O)[O-])c(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc2ccccn12 13012007 IJUPERQPPORFOB-UHFFFAOYSA-N 417.465 4.863 5 40 HJBB COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1[N+](=O)[O-] 19325861 YCWFQYMLHPGZNW-UHFFFAOYSA-N 403.482 4.620 5 40 HJBB C[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 84697623 CPPBKFVAEBFXKO-GOSISDBHSA-N 418.497 4.639 5 40 HJBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc([N+](=O)[O-])cc1 218051708 FBFSEVBAWFZAFR-SFHVURJKSA-N 400.500 4.555 5 40 HJBB Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 408694984 NGVQPTYQAAOGQB-UHFFFAOYSA-N 417.400 4.542 5 40 HJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2406694 NILKIPKPBUSADO-HNNXBMFYSA-N 413.481 4.653 5 40 HJBB CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(C)nn2-c1ccc(C)cc1 2616984 JYZSEDKJFDZBSK-UHFFFAOYSA-N 416.437 4.789 5 40 HJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nncs1)c1ccccc1 3279196 IJNNUTSNCMTNQN-CQSZACIVSA-N 406.876 4.572 5 40 HJBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 6357743 MAUXIABMCRMING-WEVVVXLNSA-N 417.849 4.503 5 40 HJBB O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1 4328689 DWZXSQDXVARWQE-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(C)cc4[N+](=O)[O-])ccc3C(=O)O2)cc1 12274524 PEYLZHJKKSJYPO-JOCHJYFZSA-N 416.433 4.918 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1cccs1 4246545 AGWHAHXJLJSCBG-UHFFFAOYSA-N 404.520 4.506 5 40 HJBB CCCCOc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 6624535 LJTIVSWBIGWILR-UHFFFAOYSA-N 402.450 4.788 5 40 HJBB biogenic C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17087997 KGHNKRMTNZUYBD-QGZVFWFLSA-N 408.502 4.826 5 40 HJBB O=C(c1ccccc1)c1ccc(Nc2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])c1 32824996 VALOYCRCAUCKMU-UHFFFAOYSA-N 403.394 4.526 5 40 HJBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2)cc1 408695885 UPKPLFAFYCAAEY-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB CCOc1ccc2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 5184844 UMBFHYGQEKMXII-LLVKDONJSA-N 411.443 4.773 5 40 HJBB Cc1csc2nc(CSc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(Br)n12 9186678 LDWVGOTURISWDD-UHFFFAOYSA-N 424.305 4.544 5 40 HJBB COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[N@+](C)(Cc1ccc(O)cc1)CC2 245239425 ISWWMWNKTBYUCP-IGKIAQTJSA-O 420.529 4.602 5 40 HJBB COc1ccc(-c2cc(C3CCN(c4ccc(C(C)=O)cc4[N+](=O)[O-])CC3)n[nH]2)cc1 8577957 FLATXKIJZOSKEB-UHFFFAOYSA-N 420.469 4.580 5 40 HJBB aggregator CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222937066 GDHVSPUJSXAFGL-LEWJYISDSA-N 422.510 4.878 5 40 HJBB Cc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1[N+](=O)[O-] 409181785 DWADKEPDXFATFO-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6840915 VXUPUKNXWNSMJJ-SNVBAGLBSA-N 407.304 4.582 5 40 HJBB Cc1noc(/C=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1[N+](=O)[O-] 108152350 VSEYBWGWLYMOPX-ALCCZGGFSA-N 412.314 4.670 5 40 HJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] 408994453 GCKVIAYEECHNHX-NMNUPHIUSA-N 417.421 4.983 5 40 HJBB O=[N+]([O-])c1cc([S@@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 4455258 XKWQXUYWQUXLHU-VWLOTQADSA-N 404.416 4.983 5 40 HJBB CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-] 12927672 ILEVNIQGBMJGAM-UHFFFAOYSA-N 413.480 4.627 5 40 HJBB Cn1ccnc1Sc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] 33034251 MOGNLIMNJQDQIY-RIYZIHGNSA-N 412.858 4.626 5 40 HJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 40079667 GGOVEOLYWVHQIX-GPZRYRNASA-N 417.465 4.802 5 40 HJBB COc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2247756 UHLMIPZUVLDKKS-UHFFFAOYSA-N 411.421 4.612 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9413874 XWLNKELAWZXRTA-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] 12816816 MCWWEJOXBILJFP-KRWDZBQOSA-N 417.465 4.989 5 40 HJBB O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 409344058 GMYCROHLWAFYGS-UYRXBGFRSA-N 405.435 4.686 5 40 HJBB CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c2n[nH]c(=S)n12 6238926 RPUXXQLNWYOWLS-UHFFFAOYSA-N 401.586 4.959 5 40 HJBB Cc1ccc2nc(N(Cc3ccncc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 10254273 PTWUQGDNEDDRBD-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222902022 CKMYIQLSOQZRNP-UXHICEINSA-N 408.483 4.632 5 40 HJBB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])o1 830459 DVWVNBFAAAQMOT-UHFFFAOYSA-N 420.208 4.999 5 40 HJBB CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 32118587 BCCXQPQVJIMPPN-UHFFFAOYSA-N 400.416 4.708 5 40 HJBB CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] 36082456 UPLODQWJFKBBKR-BDXSIMOUSA-N 424.284 4.696 5 40 HJBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC1CCCC1 225564935 PSISVPNAXHUGIV-UHFFFAOYSA-N 424.497 4.912 5 40 HJBB CC(C)CCn1c(-c2ccc(Cl)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2239001 UOMHOJPXCLTUJV-UHFFFAOYSA-N 407.901 4.615 5 40 HJBB COc1ccccc1NC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 4931125 RODUVGHOKJSYBK-UHFFFAOYSA-N 408.439 4.540 5 40 HJBB C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6987055 YGJUCUIXCSNLMB-VIFPVBQESA-N 408.197 4.870 5 40 HJBB CCN(C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC)C1CCCCC1 22177926 MTRNQVWBFREQJT-UHFFFAOYSA-N 423.582 4.843 5 40 HJBB Cc1ccc(CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H]2CCc3ccccc32)cc1 69948874 PZVKTWNXIZNDPX-JOCHJYFZSA-N 418.497 4.515 5 40 HJBB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222847063 KNWLHMJNIGOBDG-VQTJNVASSA-N 408.483 4.631 5 40 HJBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 5379589 PWDTZKZRSONVHB-UHFFFAOYSA-N 405.241 4.707 5 40 HJBB O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 5893643 ACTCJMJXPOAOBB-UHFFFAOYSA-N 402.746 4.773 5 40 HJBB COc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 6230826 MTZFNCVYODIAQF-UHFFFAOYSA-N 409.394 4.761 5 40 HJBB c1ccc(N2CCN(CCn3c4ccccc4c4nc5ccccc5nc43)CC2)cc1 54220060 SEUSYFOLYUFZLD-UHFFFAOYSA-N 407.521 4.560 5 40 HJBB Cc1ccc(-n2nc(C)c(/C=C/c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 408995097 IYHYPJBLTRCCBK-CMDGGOBGSA-N 423.385 4.693 5 40 HJBB Cc1cccc2cc3c(NC(=O)c4cccc([N+](=O)[O-])c4)nn(CC(C)C)c3nc12 2429093 HFFWTTPWVXVTAC-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB O=c1c2ccccc2nc(-c2ccccc2[N+](=O)[O-])n1-c1ccc(Br)cc1 8837727 VTNYPLLBXQALSK-UHFFFAOYSA-N 422.238 4.723 5 40 HJBB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232837 FTLYMXAXUDFURW-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 17092701 PAQGKWOEVOSYEK-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(C)c([N+](=O)[O-])c3)s2)cc1 40140545 MIGLWUWZAXLNKI-UHFFFAOYSA-N 418.475 4.747 5 40 HJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1C 2254482 PTARVDDMDGCECR-UHFFFAOYSA-N 411.509 4.865 5 40 HJBB CCCCOc1ccc(-c2nc(NC(=O)CC)c3c(=O)oc4ccccc4c3n2)cc1 2452561 ULGSCGKFDIXZNJ-UHFFFAOYSA-N 417.465 4.931 5 40 HJBB O=c1cc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c2c(ccc3ccccc32)o1 3440203 OFPLXEFKSWZGQU-UHFFFAOYSA-N 422.366 4.667 5 40 HJBB CCCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc2ccccc21 5827192 TUFVSTBNYSXQOC-UHFFFAOYSA-N 407.474 4.597 5 40 HJBB COc1ccc(-c2cc(COC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)on2)cc1 11235501 GOAMHYCJLKYMRI-YCRREMRBSA-N 414.801 4.668 5 40 HJBB C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)C1 35313210 QJZUABXQJNNFLX-OKILXGFUSA-N 422.579 4.989 5 40 HJBB CCOP(=O)(OCC)[C@H](Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 65090427 IMUHDWYNYYMJDO-SFHVURJKSA-N 409.379 4.562 5 40 HJBB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408563403 VRVZLVJIHDWWST-QOCHGBHMSA-N 419.865 4.987 5 40 HJBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCn2c(cc3ccccc32)C1 580058410 ICTLLGQIRSJCQC-UHFFFAOYSA-N 407.473 4.682 5 40 HJBB Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c2c1 9075966 BYZVRTJEJSLKNB-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=C(Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1)c1ccco1 10372874 KTGDGTVOZDCNLR-UHFFFAOYSA-N 419.437 4.891 5 40 HJBB COc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229576 OFBLDSAAUVWMKC-CYBMUJFWSA-N 403.866 4.888 5 40 HJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2cccc3ccccc23)cc1 409301466 FWXHYMZJZIYXNM-RAXLEYEMSA-N 415.405 4.699 5 40 HJBB COc1ccc(Cn2c(-c3ccccc3C)nc3oc4ccccc4c(=O)c3c2=O)cc1 2199162 FYFBEWMSRNCLNT-UHFFFAOYSA-N 424.456 4.535 5 40 HJBB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3315694 XCWYCWZWMCFZTK-NRFANRHFSA-N 407.447 4.854 5 40 HJBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 4273216 KNVGBTCTPRNFJA-UHFFFAOYSA-N 410.480 4.816 5 40 HJBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cc2ccccc2)cc1 11617412 DXTGLQCNSYMEFV-UHFFFAOYSA-N 416.462 4.956 5 40 HJBB CC(C)c1ccc(O[P@@](C)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4697702 KOCPINVNGRHPQH-MUUNZHRXSA-N 403.419 4.742 5 40 HJBB COc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] 4846301 DVQXZRFQFZJLKQ-UHFFFAOYSA-N 414.458 4.646 5 40 HJBB CC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 6034693 WEGHDQDWHYVHBX-SFQUDFHCSA-N 416.433 4.766 5 40 HJBB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc2ccccc2c2ccccc12 6609222 JQAHRBNJOIBEAC-HNNXBMFYSA-N 418.880 4.903 5 40 HJBB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4nnc(-c5cccc([N+](=O)[O-])c5)o4)cc3c2C1 6946633 UGDRCABQQCUIRM-LBPRGKRZSA-N 417.425 4.503 5 40 HJBB O=C(c1cccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 44154659 ANNUNEVAPSBTTQ-UHFFFAOYSA-N 401.555 4.957 5 40 HJBB Cc1c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cccc1[N+](=O)[O-] 409178968 LNNOYWGGQQHICF-UHFFFAOYSA-N 408.366 4.961 5 40 HJBB Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2nc(-c3ccccc3)cs2)n1 12441725 SVCWNUCUSXTYMG-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14831601 GXCPMYFRLSOGPJ-UHFFFAOYSA-N 422.304 4.608 5 40 HJBB Cc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 35682900 GUSUTDOFKDLRAD-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2420449 UVVXTXRAQFJNGH-UHFFFAOYSA-N 403.873 4.655 5 40 HJBB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 4858265 VTKZDTUTWZFSRQ-GGAORHGYSA-N 401.422 4.846 5 40 HJBB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])c2cnccc12 40135285 DSAVTBJQXIJDPM-UHFFFAOYSA-N 405.433 4.741 5 40 HJBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1ccccc1 101205805 ZNOIDHCKSOLBLD-UHFFFAOYSA-N 412.518 4.624 5 40 HJBB Cc1ccc(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408528445 HQQDJXIHQOGNAJ-UHFFFAOYSA-N 415.449 4.766 5 40 HJBB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 408629031 INTKZAJGJLVOJU-UHFFFAOYSA-N 403.866 4.745 5 40 HJBB Cc1ccccc1COc1cccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 4851718 AVCWRNILUFMSAV-HMAPJEAMSA-N 414.417 4.827 5 40 HJBB CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 10010642 CDFOBQQCHJRNPS-LLVKDONJSA-N 401.444 4.643 5 40 HJBB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 35288868 SQJLXZGLCFEJJZ-UHFFFAOYSA-N 411.483 4.753 5 40 HJBB CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 226360326 VMADLADBWNLUPE-UHFFFAOYSA-N 401.216 4.749 5 40 HJBB O=C(NCc1ccccc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975486 KYYNWEYSPZYAMG-UHFFFAOYSA-N 415.456 4.809 5 40 HJBB COc1ccc(SCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 10219571 CAZFYVDKDMAKRK-UHFFFAOYSA-N 415.496 4.848 5 40 HJBB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 17088240 KMNXFLGKKGMWJS-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)cc1 101333153 LMRRMQSHMGQYOT-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB Cc1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1 1447965 NCSUWKFDKRYVJQ-UHFFFAOYSA-N 401.374 4.896 5 40 HJBB biogenic O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 4328682 AVKHLXPPKMXQJX-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB CC(C)[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2[nH]1 40030794 FZGCIXTVLILXQJ-XMMPIXPASA-N 424.504 4.545 5 40 HJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1OC 224247033 KMPFIVWREGHLGT-UHFFFAOYSA-N 422.437 4.752 5 40 HJBB Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C 408980010 PKJZZXIHNKMBTM-NRFANRHFSA-N 417.465 4.712 5 40 HJBB COc1ccc(/C=C(/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 409118505 QQONUAQBJDLTER-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB COc1ccc(Cn2c(-c3ccc(C)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2232603 NVUIROVWQAXSTN-UHFFFAOYSA-N 424.456 4.535 5 40 HJBB Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5253103 UKSVFXUKXXEGBY-UHFFFAOYSA-N 405.245 4.630 5 40 HJBB Cc1c(C(=O)COc2cc(O)c3c(=O)c4ccccc4oc3c2)c2ccccc2n1C 6912094 XHAIDJOGHMPBIT-UHFFFAOYSA-N 413.429 4.714 5 40 HJBB biogenic C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 12621135 UWKRAXYZCHAWRN-MRVPVSSYSA-N 417.632 4.739 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 17093321 SHOGGZPTBQVBFX-SNVBAGLBSA-N 422.890 4.864 5 40 HJBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24522552 IZUCGDDHQMDCNZ-RTWAWAEBSA-N 410.470 4.646 5 40 HJBB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCc1ccc([N+](=O)[O-])cc1 102418981 JYUPOPUBTVORQT-QAQJPARQSA-N 408.292 4.762 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 6537497 WDBGAAVUWLOMCU-INIZCTEOSA-N 418.449 4.627 5 40 HJBB COc1cccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c1OC 6868030 ZMRFFUODQAUFLQ-UHFFFAOYSA-N 400.390 4.680 5 40 HJBB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Cl 19927351 FNFXTCOPVDGZPC-UHFFFAOYSA-N 410.238 4.927 5 40 HJBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 33596100 YJMIVHPLSPPRBD-UHFFFAOYSA-N 407.477 4.896 5 40 HJBB CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccncc1 3501687 DDPZPMDNRSPTIH-UHFFFAOYSA-N 414.490 4.912 5 40 HJBB Cn1ccnc1[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 17590104 JATSRNZBGNOPBO-JOCHJYFZSA-N 412.449 4.761 5 40 HJBB O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)cs2)c1 97105287 SVBYJAAJDIDKLM-IBGZPJMESA-N 405.483 4.932 5 40 HJBB O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 4328684 HQMDOJHTBIZUGC-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB COc1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1 6660733 REZQGBITLVUKFT-UHFFFAOYSA-N 409.825 4.626 5 40 HJBB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 1312622 IYOMLNLSUWKKEF-UHFFFAOYSA-N 423.391 4.865 5 40 HJBB CC[C@H](C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 6552782 CFJXIOSNOGDEAE-ZDUSSCGKSA-N 411.487 4.640 5 40 HJBB O=[N+]([O-])c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccncc12 12633285 FNLAHIACKOPUHN-UHFFFAOYSA-N 419.872 4.671 5 40 HJBB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 15034270 CDVPVAKSILVZFJ-JOCHJYFZSA-N 407.495 4.551 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCCC2 879618 ZFWGPUYMXCTWNJ-UHFFFAOYSA-N 402.472 4.663 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc12 10010600 ROLRMCGICROANM-UHFFFAOYSA-N 419.462 4.984 5 40 HJBB Cc1ccc(CSCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12607825 DTBUXHMYXLZQQI-UHFFFAOYSA-N 416.546 4.513 5 40 HJBB COc1cccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 408717899 YCGVTGYFLOMUPY-UHFFFAOYSA-N 416.377 4.503 5 40 HJBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 841490 CQWGUWOYBQISQO-UHFFFAOYSA-N 407.426 4.990 5 40 HJBB Cc1c(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cccc1[N+](=O)[O-] 10741233 XNVWZDXWLCTLTQ-UHFFFAOYSA-N 410.430 4.600 5 40 HJBB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 95977365 XARDJUHRTGFRGJ-SNVBAGLBSA-N 402.756 4.523 5 40 HJBB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc([N+](=O)[O-])c1 225339529 NRULQOSWVQFXMV-UHFFFAOYSA-N 416.462 4.962 5 40 HJBB Cc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2n1 4065363 JHFSCODFHNZLRH-UHFFFAOYSA-N 416.403 4.797 5 40 HJBB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 4540047 NFRVZHWJQFDIFO-NRFANRHFSA-N 402.406 4.610 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 10904803 ZTOQINLOSUKFQU-UHFFFAOYSA-N 417.824 4.634 5 40 HJBB Cc1ccc(OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 16048695 CJAICXXHIMOWJU-SFHVURJKSA-N 421.478 4.557 5 40 HJBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 32034647 UVHQZNWHWNCHPA-UHFFFAOYSA-N 407.426 4.528 5 40 HJBB CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)CC(C)(C)O 4366923 AXPQKMPCJGVOER-UHFFFAOYSA-N 418.990 4.881 5 40 HJBB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1[N+](=O)[O-] 20142462 JJFZGPDPCUPOCQ-UHFFFAOYSA-N 416.817 4.652 5 40 HJBB CCC1(CC)O[C@H](c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])Nc2ccccc21 100110304 NUBQYGLCQYFNJN-QGZVFWFLSA-N 402.363 4.567 5 40 HJBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 2512884 VEWZDNXMFHLCTG-UHFFFAOYSA-N 404.831 4.841 5 40 HJBB O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc([N+](=O)[O-])cc1 3442722 YULPFOUHKPPZKV-UHFFFAOYSA-N 407.426 4.725 5 40 HJBB Cc1ccc(-n2c(-c3ccccc3C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 5450906 CZONDKSDNXEBJZ-UHFFFAOYSA-N 407.473 4.521 5 40 HJBB COc1cc(C(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 7654798 KDGWFUIUHLTWIU-UHFFFAOYSA-N 405.819 4.758 5 40 HJBB COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 16635421 LDXHHGIZXFMCHA-UHFFFAOYSA-N 402.790 4.778 5 40 HJBB COC(=O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1304017 XXKHVDXGIFWUES-UHFFFAOYSA-N 400.394 4.735 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Br)cc1 11246754 OBDQXPSJPUWGRA-UHFFFAOYSA-N 407.267 4.556 5 40 HJBB O=C(N[C@@H](CO)c1ccccc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 95456344 FNWSJZZCVFLEDK-SFHVURJKSA-N 412.829 4.504 5 40 HJBB COc1ccc(CCNc2ccc(C3SCCS3)cc2[N+](=O)[O-])cc1OC 6584842 ZFFAPDSCZFCJLT-UHFFFAOYSA-N 406.529 4.745 5 40 HJBB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6824064 QBTIZNZGFCOYTN-IYXRBSQSSA-N 410.898 4.971 5 40 HJBB CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1 5055182 HQZKOQOJCRFRTJ-UHFFFAOYSA-N 400.826 4.506 5 40 HJBB CCCC(=O)Oc1cn(CCCOCC)c2nc(CCC)n3c4ccccc4nc3c12 8625020 BXLPLSWHHNFWOH-UHFFFAOYSA-N 422.529 4.922 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 10847415 WLGCTFBQXZNIAJ-UHFFFAOYSA-N 422.407 4.573 5 40 HJBB C[C@@H]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2S1 12869508 RHNNJYQXJSRIBZ-LLVKDONJSA-N 407.289 4.888 5 40 HJBB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 12921176 RLTNEMBPUNRPLF-HXUWFJFHSA-N 413.524 4.612 5 40 HJBB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226767398 IFBPUTOKRLVCCQ-UHFFFAOYSA-N 410.813 4.952 5 40 HJBB Cc1ccc(C)c(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 837013 POIOSNSDEAGNPI-MRXNPFEDSA-N 416.692 4.750 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2410824 RHTKWTKMPNRWOK-UHFFFAOYSA-N 417.900 4.715 5 40 HJBB CSc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 7781380 TZWXQUPLRVAXFZ-HXUWFJFHSA-N 416.499 4.605 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3s2)cc1 8586715 ZQIXZDOMQYTKDO-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 20412126 JFPLXPRZVYBDLP-UHFFFAOYSA-N 402.834 4.990 5 40 HJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c(C)c1 408693809 FDCCALOUHZFORW-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 2323814 LCAFZKLPQFWFAO-UHFFFAOYSA-N 418.430 4.911 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)o1 8994107 ILHRDVLQTSGGNZ-IBGZPJMESA-N 424.482 4.642 5 40 HJBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OC 408564893 ARFCHBQTHSPGEI-OAHLLOKOSA-N 419.275 4.746 5 40 HJBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409155816 DBLOANOHPTXJNQ-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(F)cc1 409206954 NSIUNAFQKFBPIT-QOCHGBHMSA-N 419.865 4.758 5 40 HJBB O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 853567 UYKUGNYUIJLUAH-UHFFFAOYSA-N 401.216 4.797 5 40 HJBB CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 106729065 DLFHNQBQFFEPBT-ODLFYWEKSA-N 407.451 4.806 5 40 HJBB CCSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 222693526 IPRNYXDFHMAFCI-FOWTUZBSSA-N 412.496 4.738 5 40 HJBB CCOC(=O)N1CCc2cc(OC)c(OC)c3c2c1cc1cc(OC)c(OC)cc13 1727151 UBNQMQAKEHACQS-UHFFFAOYSA-N 411.454 4.546 5 40 HJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)c(C)nc32)cc1 2313316 KUAOHOZSRJEAAD-UHFFFAOYSA-N 421.460 4.542 5 40 HJBB CC(=O)Oc1cn(Cc2ccccc2Cl)c2nc(C)n3c4ccccc4nc3c12 5236105 LLMRKBCGAFMZEW-UHFFFAOYSA-N 404.857 4.773 5 40 HJBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)Nc4cccc(Cl)c4)cc3oc12 5354049 HUAUXSPHIQYMKW-UHFFFAOYSA-N 409.825 4.631 5 40 HJBB CCn1ncc2c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc(-c3cccs3)nc21 12808600 GENGZDZNNUJGDB-UHFFFAOYSA-N 407.455 4.649 5 40 HJBB O=[N+]([O-])c1ccc(/C=C/c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 80346267 PYBYTEWRMYQRPX-ZZXKWVIFSA-N 407.499 4.732 5 40 HJBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225564807 PMWMOWVVXNPFPT-QGZVFWFLSA-N 412.486 4.767 5 40 HJBB O=[N+]([O-])c1ccc(Sc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c([N+](=O)[O-])c1 408583881 YFFFHQVVISDMLE-UHFFFAOYSA-N 402.432 4.505 5 40 HJBB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 408620373 MECHJDAEFNDXDB-UHFFFAOYSA-N 402.790 4.778 5 40 HJBB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1[N+](=O)[O-] 2092994 DVXLMPURAPHVIB-LBPRGKRZSA-N 416.499 4.907 5 40 HJBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 5055128 WJEUQYFKNBHBCZ-UHFFFAOYSA-N 417.900 4.796 5 40 HJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 8475351 NGAZJPTXAQSATD-JOCHJYFZSA-N 409.463 4.691 5 40 HJBB O=C(COc1ccc(Br)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229512 IRKWHHQCXUZUSI-UHFFFAOYSA-N 420.046 4.682 5 40 HJBB COc1ccc2c(c1)-c1nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc1CC2 409054026 PWAMKBZLCZVDRH-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1OC 17092013 KMZBPKRAYALANV-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142612 BSRZNQPABDQAHH-UHFFFAOYSA-N 421.453 4.590 5 40 HJBB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(O)o1 138469176 YTSKLXJSTGYIHS-IBGZPJMESA-N 408.435 4.920 5 40 HJBB O=C(NCc1ccc(F)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3429720 LUSPDERQPQMKHU-UHFFFAOYSA-N 412.804 4.548 5 40 HJBB CCCCC(=O)Oc1cn(CCOC)c2nc(CCCC)n3c4ccccc4nc3c12 8625177 NAEKFPPDUJMQOY-UHFFFAOYSA-N 422.529 4.922 5 40 HJBB O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccs1 11256177 JRRTVFNAJGEUSD-IBGZPJMESA-N 401.875 4.627 5 40 HJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cn(Cc2ccccc2)nc1-c1cccs1 13006698 VDVLTHOJFISBIU-UHFFFAOYSA-N 422.441 4.960 5 40 HJBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 409178062 INFMMRHDQWBQNX-NRFANRHFSA-N 420.377 4.592 5 40 HJBB COc1ccccc1Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 5065906 KPVCPKKGWLAXAD-UHFFFAOYSA-N 411.421 4.612 5 40 HJBB Cc1ccc(N2C(=O)/C(=C\Nc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1C 3414799 UZKRSTQAKKUHLJ-HMAPJEAMSA-N 413.433 4.852 5 40 HJBB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)cc1 12987354 KUFNGYSQLGEXRC-HXUWFJFHSA-N 411.502 4.776 5 40 HJBB COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc2ccccc2c1Br 17091745 WHPVZHKRRPCNNV-UHFFFAOYSA-N 419.206 4.911 5 40 HJBB Cc1c(CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] 59017079 LEAMQAODTMCWJI-JOCHJYFZSA-N 415.449 4.609 5 40 HJBB Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] 830153 MLLMCTRDPGNXAE-UHFFFAOYSA-N 407.817 4.543 5 40 HJBB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 1408944 PCOABHDMCQSTQB-MDWZMJQESA-N 413.437 4.543 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2410379 SXJMNFCCMXPCFE-CQSZACIVSA-N 413.481 4.572 5 40 HJBB CCOC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C 4194703 NWQPDLHKDWTTOT-UHFFFAOYSA-N 407.447 4.745 5 40 HJBB CCN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c(C)c2)CC1 22067960 OGSNMRLVTGJXMJ-UHFFFAOYSA-N 424.526 4.512 5 40 HJBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CC[C@@H]4CCCC[C@@H]4C3)nc21 28629319 WKVMTXJWGZKVOF-JKSUJKDBSA-N 421.505 4.515 5 40 HJBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)cnc21 2239096 FIPQGPGMHTWYDO-UHFFFAOYSA-N 411.509 4.727 5 40 HJBB CCc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 30397328 HNOGFTHNCAWXMC-UHFFFAOYSA-N 405.248 4.521 5 40 HJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2228411 PEULAKDSHRSRHQ-UHFFFAOYSA-N 401.445 4.613 5 40 HJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1sc2ccccc2c1Cl 3363469 PUUOSOWWSUJBOO-UHFFFAOYSA-N 405.815 4.686 5 40 HJBB O=c1oc2c(Br)cc([N+](=O)[O-])cc2cc1-c1nc2ccccc2s1 9235914 DVUHWMGUONUNKL-UHFFFAOYSA-N 403.213 4.740 5 40 HJBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(-n2nc3ccccc3n2)c1 990771 WFAMIVSAMUPPCW-UHFFFAOYSA-N 408.801 4.510 5 40 HJBB O=[N+]([O-])c1cc([S@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 3310530 XKWQXUYWQUXLHU-RUZDIDTESA-N 404.416 4.983 5 40 HJBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4735575 SZACMFSBLXVPSN-HXUWFJFHSA-N 406.442 4.577 5 40 HJBB CCCCSc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 31845782 ZCHBSGUNNFROMY-UHFFFAOYSA-N 409.518 4.681 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 101024763 MKADPHRFSHXWRG-GIHONLOASA-N 414.461 4.607 5 40 HJBB O=C(O)Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 199431644 PXLAKTQGFGJARP-UHFFFAOYSA-N 419.256 4.775 5 40 HJBB O=C(N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 836679 NUNIHUHXAOMDGP-AWEZNQCLSA-N 424.067 4.753 5 40 HJBB C[C@@H]1[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889636 KHPBXOQVAOCUSR-AWBWRCJSSA-N 407.854 4.568 5 40 HJBB CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)[C@@H](O)c2ccccc2-3)C1 408992092 ZMLSEFQIGFDIHO-QHCPKHFHSA-N 400.434 4.874 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1C(F)(F)F 858946 DEPVHGLRSOPTEG-UHFFFAOYSA-N 413.402 4.954 5 40 HJBB Cc1sc2nc(CSc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[nH]c(=O)c2c1C 8693993 KFIKQCFISBMWLH-UHFFFAOYSA-N 415.418 4.821 5 40 HJBB aggregator C[C@@H]1Cn2c(-c3ccc([N+](=O)[O-])cc3)c[n+](-c3ccc(Br)cc3)c2S1 26441831 LHWWDNFXWDKQEO-GFCCVEGCSA-N 417.308 4.597 5 40 HJBB Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc1-c1ccccc1 48310120 LMLXLFQNSPSEIG-UHFFFAOYSA-N 408.483 4.879 5 40 HJBB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)c1 223084469 JOJIFHHEVDKMHW-UHFFFAOYSA-N 415.449 4.749 5 40 HJBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 408616938 ATKVLWZZVVTQSV-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB O=C(Nc1ccccc1F)C(=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F 3256967 KCDUUDTXFDQTJH-UHFFFAOYSA-N 423.375 4.534 5 40 HJBB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 4273213 YCHLLIMDNNKNGT-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB CC(C)(C)C(=O)COc1cc(OCC(=O)C(C)(C)C)c2c(=O)c3ccccc3oc2c1 5342072 OBCIMKLMHKRUEJ-UHFFFAOYSA-N 424.493 4.934 5 40 HJBB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] 13946040 ZROQXEFJGYEAKB-UHFFFAOYSA-N 419.462 4.810 5 40 HJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(=O)O)c(Cl)c1 20145324 BAJOAJLDOJCCSP-JXMROGBWSA-N 412.785 4.858 5 40 HJBB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7929529 ZHUMHYZDSIAYLW-MRXNPFEDSA-N 410.470 4.549 5 40 HJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)cc1 101321923 VQSSSYCDEFMIEJ-UHFFFAOYSA-N 416.389 4.629 5 40 HJBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408569183 JBHCSFGPHKYLFM-MRXNPFEDSA-N 409.298 4.993 5 40 HJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Br 1514677 RJDWYHBRSGGXEY-UHFFFAOYSA-N 404.245 4.733 5 40 HJBB COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])cc1 4311701 BIZHLMFLTLAVTB-HSZRJFAPSA-N 405.406 4.889 5 40 HJBB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 5776995 ANDKNXSBKDTNEV-NRFANRHFSA-N 403.463 4.926 5 40 HJBB CCCCCCOc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)cc(=O)o2)cc1 13801004 MQVNYGUKQBMYJQ-UHFFFAOYSA-N 410.426 4.942 5 40 HJBB O=c1nc2c3ccccc3nc(Nc3ccc(Cl)cc3)n2nc1-c1cccs1 89872967 GUGZCVLNLKGQML-UHFFFAOYSA-N 405.870 4.763 5 40 HJBB Cc1ccc(OCc2cccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)cn1 523497163 NWRJNIHOKYVCKI-UHFFFAOYSA-N 419.481 4.630 5 40 HJBB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])o1 830460 SZVQNXACLPVCMR-UHFFFAOYSA-N 420.208 4.999 5 40 HJBB C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5017911 PZVKONIXWZABGQ-GFCCVEGCSA-N 404.850 4.730 5 40 HJBB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229950 SFTMYAWKYYTVPG-FQEVSTJZSA-N 412.829 4.591 5 40 HJBB C[C@H](c1ccccc1)n1c(-c2cccs2)nc2c(c(=O)c3ccccc3n2C)c1=O 2347924 YBKBRBMBTSVWOY-OAHLLOKOSA-N 413.502 4.586 5 40 HJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1C 2429373 RDAOEALLQICKFC-UHFFFAOYSA-N 411.509 4.947 5 40 HJBB O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6526685 RARDMMDTFQVMCP-UHFFFAOYSA-N 408.366 4.581 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222847003 KNWLHMJNIGOBDG-UXHICEINSA-N 408.483 4.631 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38853930 MWOZMVVSKZGYLQ-UHFFFAOYSA-N 408.285 4.752 5 40 HJBB O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1843050 KCEDGJCNSXBJOR-RPWUZVMVSA-N 421.541 4.859 5 40 HJBB CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 17092836 TUMWZROISMBOEX-UHFFFAOYSA-N 421.906 4.862 5 40 HJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408565640 CPRAGSZAIUNDKJ-GOSISDBHSA-N 418.906 4.656 5 40 HJBB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc([N+](=O)[O-])c1 3252998 QENPNVHYYFWOTL-JOCHJYFZSA-N 400.390 4.857 5 40 HJBB Cc1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1Cl 4355833 CMNGEJHWKMMBCJ-UHFFFAOYSA-N 414.874 4.744 5 40 HJBB COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] 10120054 DTYKXDUWJSVFEZ-UHFFFAOYSA-N 403.394 4.588 5 40 HJBB CC(C)n1ncc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc(-c3cccs3)nc21 11227647 FKAGUNVZHFZGQB-UHFFFAOYSA-N 407.455 4.901 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 13029339 FKLGDTQIAWDBAD-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCCC2)cc1 27795389 JTNXXSQXROTVLA-NRFANRHFSA-N 415.921 4.904 5 40 HJBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccccc1 408575998 XDTUTKXNCMGXHE-MRXNPFEDSA-N 409.298 4.993 5 40 HJBB CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2964571 VFFCPRDDNNZHQP-FZKQIMNGSA-N 408.483 4.533 5 40 HJBB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4849286 RVUPOSMURCDFHI-UHFFFAOYSA-N 411.483 4.753 5 40 HJBB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 5100368 UJHZDDUYVVAXHX-SFHVURJKSA-N 411.454 4.545 5 40 HJBB CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 40157386 FSDJJMNVQXOVBZ-FQEVSTJZSA-N 404.426 4.858 5 40 HJBB CCOCCCn1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 95443102 SOWUIRDTMRISGL-UHFFFAOYSA-N 417.853 4.669 5 40 HJBB COc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1[N+](=O)[O-] 3094676 LGVLMPYTSYVXKT-UHFFFAOYSA-N 422.260 4.708 5 40 HJBB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 4545096 YBZUEVNADLWZBZ-JEOXALJRSA-N 409.467 4.895 5 40 HJBB COc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4cccc(F)c4oc3c2)cc1OC 9348577 RUQLILQOHFKHEG-YRNVUSSQSA-N 419.408 4.754 5 40 HJBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829714 AZBQVCYBCNTYRK-UHFFFAOYSA-N 414.443 4.647 5 40 HJBB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 65322214 DLZMRUHHXLJCBR-UHFFFAOYSA-N 421.501 4.593 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408621997 OSMHKIAOOJANJC-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB CC(=O)c1ccc(Sc2nnc(-c3ccco3)n2-c2ccccc2)c([N+](=O)[O-])c1 867248 FHCXYQLHVDFHMS-UHFFFAOYSA-N 406.423 4.789 5 40 HJBB Cc1c(Cl)cccc1-n1sc2cc([N+](=O)[O-])cc(OCC(F)(F)F)c2c1=O 1430603 DXDXEHZMRORZAQ-UHFFFAOYSA-N 418.780 4.863 5 40 HJBB O=C(CCN(CCc1ccccc1)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 2633265 AZTXEJWYXVTZRU-UHFFFAOYSA-N 402.494 4.955 5 40 HJBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2665190 NYSAAQPAMOIGKK-UHFFFAOYSA-N 416.462 4.818 5 40 HJBB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc([N+](=O)[O-])c1 10572925 AJULZYOFJMYLCW-UHFFFAOYSA-N 410.274 4.795 5 40 HJBB C[C@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 14792829 XLUJIQWWASRQOH-AWEZNQCLSA-N 423.856 4.992 5 40 HJBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1C 15544522 YWUDFYPZLTVZHA-KRWDZBQOSA-N 410.495 4.918 5 40 HJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 829679 LDWSPYIWKYDVPQ-BKUYFWCQSA-N 400.390 4.518 5 40 HJBB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1[N+](=O)[O-] 4088746 AAQPFYCZHYFBDY-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5034146 RDRWRZUHEBYQHQ-UHFFFAOYSA-N 407.407 4.880 5 40 HJBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl 12511641 PZYDZNCVEOPONI-CYBMUJFWSA-N 422.312 4.995 5 40 HJBB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 44880567 CDQZOUVAPWTJMF-FQEVSTJZSA-N 402.516 4.740 5 40 HJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccccc1F 2329046 HOPLWDBVPZGILZ-UHFFFAOYSA-N 415.472 4.777 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CSc3ccc(Cl)cc3)nc12 4496556 LCKRIIDNNHSPCC-UHFFFAOYSA-N 409.876 4.597 5 40 HJBB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1-n1ccnc1 8746250 PPDJUKNWIVIRRH-UHFFFAOYSA-N 412.449 4.941 5 40 HJBB CC(C)c1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 13009021 FCPFDDZKVYZWNM-MRXNPFEDSA-N 422.485 4.920 5 40 HJBB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc([N+](=O)[O-])cc2)c1 13758921 PYPKBRHVDMLEHF-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1cccc2cccnc12 947288 HHQUSGQWSRNBPP-UHFFFAOYSA-N 414.386 4.588 5 40 HJBB Nc1nc(COc2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c12)CCCCC3 32848672 BTSROKAIKIYSEQ-UHFFFAOYSA-N 404.879 4.683 5 40 HJBB O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N(C1CCCCC1)C1CCCCC1 2775065 GCRJFVLLOXJSDV-UHFFFAOYSA-N 400.479 4.540 5 40 HJBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6125047 AODAVJMJUQYQIX-UHFFFAOYSA-N 400.435 4.586 5 40 HJBB O=[N+]([O-])c1ccc2nc(-c3cc(I)ccc3Cl)oc2c1 73640087 FLAGYFFDPPOHQJ-UHFFFAOYSA-N 400.559 4.661 5 40 HJBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)COc3ccccc3)c12 2193928 ZAFPLELFYSBQOB-UHFFFAOYSA-N 411.461 4.668 5 40 HJBB CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccc(C)cc3nc21 21595113 CAGQERYYTSYTHZ-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 25055767 XTGSRJAISAXIAR-UHFFFAOYSA-N 417.303 4.842 5 40 HJBB CCNc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] 84791130 ZVPFKAWNVUIUQP-LJQANCHMSA-N 413.524 4.938 5 40 HJBB CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1 5029833 SGJWYQGJUBIXEE-UHFFFAOYSA-N 400.826 4.506 5 40 HJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2c1 9076292 CFSGHIKZFYPQOS-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 26580610 HLVMMWQBVPOJHW-QHHAFSJGSA-N 414.245 4.567 5 40 HJBB Cc1cc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)ccc1I 197827851 LLIXCHLUFMIZLK-UHFFFAOYSA-N 422.178 4.506 5 40 HJBB CC1CC[N+](C)(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070261 ZFYXCSGXODNUIZ-VITNCHFBSA-N 420.658 4.914 5 40 HJBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408563042 TUVQHZRNYDCXEE-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1 3453928 NGZZLWGLXSOTII-GFCCVEGCSA-N 415.496 4.846 5 40 HJBB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 4012480 FBJWYSYZIRRIOH-MOUTVQLLSA-N 424.456 4.838 5 40 HJBB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 58427017 SFDBTZUYYCRSHT-QFIPXVFZSA-N 407.470 4.702 5 40 HJBB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 408763512 FZDHSRNFDJWGKX-CZAYHTPWSA-N 400.434 4.520 5 40 HJBB Cc1cc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409197945 SKTHXBLMCKROPK-UNOMPAQXSA-N 417.421 4.565 5 40 HJBB Cc1cc(NC(=O)c2cccc(Br)c2)nc2c1c(=O)oc1ccccc12 4108188 NOYCBZRRVWYOOT-UHFFFAOYSA-N 409.239 4.664 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 4558415 JACBGCUJRPMQTB-NSHDSACASA-N 402.472 4.519 5 40 HJBB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6763156 QBTIZNZGFCOYTN-HSBZDZAISA-N 410.898 4.971 5 40 HJBB Cc1c(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] 40127216 DHSXNIXSSQPTCG-HNNXBMFYSA-N 416.528 4.695 5 40 HJBB COc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1[N+](=O)[O-] 408562442 PNZJEFGFIKFZJV-UHFFFAOYSA-N 423.372 4.998 5 40 HJBB CC(C)(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974920 FTIKIIFHJAQYPU-UHFFFAOYSA-N 412.522 4.964 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 997934 BRMIZLKREANCPL-SNVBAGLBSA-N 422.890 4.864 5 40 HJBB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C[C@@H](O)c1ccccc1[N+](=O)[O-] 1399134 JGSJSOJRYBEWTN-MRXNPFEDSA-N 402.859 4.987 5 40 HJBB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 4917769 QFDVUQJSWNWFJO-UHFFFAOYSA-N 409.829 4.682 5 40 HJBB Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 9445990 WQOUHNDSULXKBN-INIZCTEOSA-N 404.422 4.806 5 40 HJBB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 12989475 DBVVBPJEYXCDSS-HXUWFJFHSA-N 417.893 4.813 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 59500397 GUZQUGHRGNYXBL-ZQFKLAOWSA-N 424.456 4.556 5 40 HJBB biogenic Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C[C@H](O)c1ccccc1[N+](=O)[O-] 1399133 JGSJSOJRYBEWTN-INIZCTEOSA-N 402.859 4.987 5 40 HJBB Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2nc(-c3ccc(F)cc3)cn12 16992460 MJARPJDSZJOFCI-UHFFFAOYSA-N 414.393 4.810 5 40 HJBB C[C@H]1CCCCN1C(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 4421690 PBRWPEWJXJAVEN-HNNXBMFYSA-N 413.430 4.629 5 40 HJBB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc([N+](=O)[O-])ccc1Cl 12764945 IAURSYDHGNVVQD-UHFFFAOYSA-N 401.831 4.559 5 40 HJBB Cc1sc(NC(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccc(OC(F)F)cc1 48344149 QUVMBFAHDLISHB-UHFFFAOYSA-N 411.411 4.942 5 40 HJBB O=C(Nc1cccc(C2SCCS2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 95381717 PGQJRLUYIIRYCC-UHFFFAOYSA-N 412.496 4.511 5 40 HJBB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 1417354 KNFUBLXCBVXNES-UDWIEESQSA-N 420.446 4.993 5 40 HJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 5215555 TWZVYQXRLOHSCE-CYBMUJFWSA-N 403.873 4.908 5 40 HJBB CCC(=O)Oc1cn(Cc2cccs2)c2nc(CC)n3c4ccccc4nc3c12 13228193 LLKWBRJWXLNDDP-UHFFFAOYSA-N 404.495 4.825 5 40 HJBB O=C1OC(c2ccccc2)=N/C1=C\c1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 13286231 ZGDIJCAZLRHTSZ-STZFKDTASA-N 423.428 4.942 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(F)cc1 12540569 DFXNNAJPZWVLML-OAQYLSRUSA-N 400.453 4.658 5 40 HJBB CCNc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1[N+](=O)[O-] 84791131 ZVPFKAWNVUIUQP-IBGZPJMESA-N 413.524 4.938 5 40 HJBB O=C(COc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1 408556906 KTYZHSHAJFSBPE-UHFFFAOYSA-N 411.845 4.878 5 40 HJBB COc1cccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c1 21579210 VRALIYVUZFBBDG-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215019812 XAHSDIJIWBTCEM-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226341610 OHRZPKXSCGGQEH-ZZXKWVIFSA-N 412.623 4.688 5 40 HJBB O=[N+]([O-])c1ccc(-c2nn3c(CSC45CC6CC(CC(C6)C4)C5)nnc3s2)o1 1501040552 WWSKKJPIZGXHTJ-UHFFFAOYSA-N 417.516 4.556 5 40 HJBB Cc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C 9514013 JLPSIIWMZQUGSW-CYBMUJFWSA-N 422.470 4.602 5 40 HJBB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)s1 12740008 SNYGHOYAZQCSQJ-ZROIWOOFSA-N 404.810 4.575 5 40 HJBB Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] 14792881 MGUVFFRWDOEWND-INIZCTEOSA-N 403.438 4.647 5 40 HJBB Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 853540 OEYYUMPVRFMAAS-UHFFFAOYSA-N 416.886 4.952 5 40 HJBB O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Sc1ccc(Cl)cc1 9662754 HJHVMEOASMJUSS-UHFFFAOYSA-N 415.858 4.812 5 40 HJBB O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1CCc1ccccc1 40398835 CGLBIGZDGMIQEJ-UHFFFAOYSA-N 413.521 4.849 5 40 HJBB COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)c([N+](=O)[O-])cc1OC 712916 TZNOVNIGSBSWGW-UHFFFAOYSA-N 405.454 4.637 5 40 HJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3s2)cc1 4499629 AQQNACUDPXLJTP-UHFFFAOYSA-N 401.403 4.672 5 40 HJBB CCOc1c(Br)cc(F)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 32899264 OSSQJVRBULPNPJ-UHFFFAOYSA-N 417.618 4.801 5 40 HJBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c([N+](=O)[O-])cc1OC 408994695 ZQSFURAUIASQKD-UHFFFAOYSA-N 415.471 4.648 5 40 HJBB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 7688032 QDOIMPZJSDETAF-UHFFFAOYSA-N 406.876 4.644 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12928131 FHUJUIBQAOJWIY-JOCHJYFZSA-N 407.495 4.551 5 40 HJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1Cl 2258102 KAVAIXBAUINPQF-UHFFFAOYSA-N 417.900 4.901 5 40 HJBB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CSC2 4176120 YEHKOMJQWASQAU-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 9445987 NTSIRJHRCWALNV-INIZCTEOSA-N 404.422 4.806 5 40 HJBB Cc1cc(C)cc(-n2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2196611 FGBZNYWXMXCLGH-UHFFFAOYSA-N 413.521 4.902 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 409090959 RXACKTNZCZUOFW-WOJGMQOQSA-N 423.812 4.914 5 40 HJBB CCOc1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 5393485 LQIRRGYIPFJIBJ-UHFFFAOYSA-N 408.462 4.645 5 40 HJBB Cc1nc2c3c4c(sc3n3c(SCCc5ccccc5)nnc3n2n1)CCCC4 9345401 VXRTYJYSHRLEJG-UHFFFAOYSA-N 420.567 4.509 5 40 HJBB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 25467897 PSKLWLXTMQZBOE-FQEVSTJZSA-N 409.486 4.571 5 40 HJBB Cc1c(O)ccc2c1oc1c(-c3ccc(C(=O)O)cc3)c3c(O)nn(C(C)C)c3nc12 79479254 YSWWUHPKUIWKEK-UHFFFAOYSA-N 417.421 4.996 5 40 HJBB Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)cc1 101327847 AJNYSRRRMYLDDD-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 2025705 FEGDELCCKFUKOX-IBGZPJMESA-N 401.260 4.887 5 40 HJBB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1[N+](=O)[O-] 408996100 KXTACCABWGQOOH-NYVOZVTQSA-N 416.433 4.773 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 5065020 YPYYGRWMKRTYKK-CQSZACIVSA-N 415.472 4.761 5 40 HJBB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 14792594 YKIOOWOAVYNHSH-MRXNPFEDSA-N 403.438 4.647 5 40 HJBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 12776384 PHTAAUOYDAEOJO-OPUMOTSWSA-N 416.861 4.642 5 40 HJBB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 14792861 BNABTCSJBXLDPG-AWEZNQCLSA-N 423.856 4.992 5 40 HJBB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 17246821 VJLFXQVWARDSSI-CRAIPNDOSA-N 416.503 4.654 5 40 HJBB Cc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c1[N+](=O)[O-] 12799595 PLYDLWDUTVCLCR-UHFFFAOYSA-N 405.458 4.531 5 40 HJBB CC(C)(C)c1csc(-c2ccc(Oc3nc4ccccn4c(=O)c3[N+](=O)[O-])cc2)n1 12822591 CPKHHKILAYFLHX-UHFFFAOYSA-N 422.466 4.816 5 40 HJBB CCCCN(CCCC)c1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1 59497759 YUVDVZDESCRVKF-UHFFFAOYSA-N 416.525 4.585 5 40 HJBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)c(Br)cc1OC 408576530 XOWGANMFIYFDEX-HNNXBMFYSA-N 419.275 4.746 5 40 HJBB CNc1ccc(/C=C/c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1[N+](=O)[O-] 8745016 KXFVCDGISXJPTF-CSKARUKUSA-N 404.451 4.772 5 40 HJBB CC(C)Cn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398721 DUEVYOUBJFQFEZ-UHFFFAOYSA-N 414.292 4.663 5 40 HJBB Cc1ccc(N2C(=O)/C(=C\Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3C2=O)cc1 103005069 RRXUWZLMDWAOSU-STZFKDTASA-N 413.433 4.852 5 40 HJBB Cc1ccc(-c2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)sc2C)cc1 887843 MWCPVMAKBHHZIK-UHFFFAOYSA-N 421.434 4.694 5 40 HJBB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c23)CO1 1866271 BZGRMKSVMKFSSK-LJQANCHMSA-N 416.528 4.715 5 40 HJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Oc2ccccc2)c1 6551704 DONHJLLEPPEZED-UHFFFAOYSA-N 407.378 4.611 5 40 HJBB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1C 6815197 QIETZIIQNCFQKQ-ZHZULCJRSA-N 413.433 4.852 5 40 HJBB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2o1 28911227 UTRIHWGCXCFAAQ-VIFPVBQESA-N 408.336 4.502 5 40 HJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c1 6707105 KMBPTZNWXLEVTG-UHFFFAOYSA-N 412.511 4.935 5 40 HJBB O=c1nc(Cc2ccccc2)n(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc12 1372467 DKNLWCXQXJOQRD-UHFFFAOYSA-N 405.841 4.597 5 40 HJBB OCCn1c(-c2ccc(Br)cc2)cn2c3ccc4ccccc4c3nc12 2317023 VEHTYSWNMMNPEL-UHFFFAOYSA-N 406.283 4.864 5 40 HJBB COc1ccccc1C(=O)Oc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 9283921 WHNWFTRBJVXSTQ-UHFFFAOYSA-N 417.373 4.596 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 6253659 PJRYCXBHIBYUIP-ZDUSSCGKSA-N 416.499 4.528 5 40 HJBB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 9350412 VJLFXQVWARDSSI-QAPCUYQASA-N 416.503 4.654 5 40 HJBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40103591 MDAKLWDNXIUCFZ-UHFFFAOYSA-N 414.465 4.520 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 5021724 ZUWXVTGSNNTBIB-CYBMUJFWSA-N 401.445 4.702 5 40 HJBB O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 12977764 XMNPESUXODPYNJ-UHFFFAOYSA-N 420.465 4.763 5 40 HJBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 2635236 OQLLIQWCWSLBPC-UHFFFAOYSA-N 407.426 4.725 5 40 HJBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 6451005 OUTUQJFGFGTFQI-UHFFFAOYSA-N 415.453 4.760 5 40 HJBB O=[N+]([O-])c1cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(Cl)cc1Cl 9045075 KTMOFUFLFGYPFU-UHFFFAOYSA-N 404.553 4.743 5 40 HJBB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12516884 LDIINWFWJHRODZ-UHFFFAOYSA-N 422.312 4.777 5 40 HJBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 222709293 DPQMJULSCUARIY-IPHXSNPTSA-N 419.510 4.760 5 40 HJBB C[C@H](c1ccccc1)n1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2213642 PPQLOESNSIGBHQ-QGZVFWFLSA-N 407.473 4.525 5 40 HJBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2247959 LNUIHOMZWWIPPV-UHFFFAOYSA-N 417.900 4.901 5 40 HJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)c1 13757575 GEQLPMYGOSCNJN-UNMCSNQZSA-N 416.393 4.745 5 40 HJBB Cc1c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cccc1[N+](=O)[O-] 40130879 FRFKCHOEMCTQKF-UHFFFAOYSA-N 407.474 4.841 5 40 HJBB O=C(O)Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 199431664 KUCCUDPEDAESEH-UHFFFAOYSA-N 419.256 4.775 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 5948874 UCRFYVXZNWYTSK-UHFFFAOYSA-N 413.389 4.791 5 40 HJBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)c1 20183428 XXUGNCKBZXHPBA-UHFFFAOYSA-N 424.416 4.920 5 40 HJBB Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 930731 LMQCXHXXFWGMJH-UHFFFAOYSA-N 405.841 4.982 5 40 HJBB Cc1cc(OC(=O)c2ccccc2Cl)c(Sc2ccccc2[N+](=O)[O-])c(=O)o1 3206254 XISOBODKVMOOHX-UHFFFAOYSA-N 417.826 4.880 5 40 HJBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4735585 NEDFKRXISSHORK-FQEVSTJZSA-N 406.442 4.577 5 40 HJBB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 6546286 SZMHHUBLCHTUGA-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB CNc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 33039510 VEBRGXLLNXBYCQ-DEDYPNTBSA-N 413.433 4.673 5 40 HJBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)n1-c1ccc(F)cc1 408571004 MRURZNOILFSOGU-HXUWFJFHSA-N 408.458 4.978 5 40 HJBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408571523 OVAHWZDRFFMWHI-HNNXBMFYSA-N 419.275 4.746 5 40 HJBB CCCCn1c(=O)nc2n(-c3cccc(C)c3C)c3cccc(Cl)c3cc-2c1=O 2258587 LCXFQFGBIHRBMT-UHFFFAOYSA-N 407.901 4.723 5 40 HJBB CC1CCN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)CC1 35314703 DPOIZPFWYAHKEE-UHFFFAOYSA-N 408.552 4.743 5 40 HJBB CC1(C)CC(=O)c2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc2C1 2474952 YQYRSVIOVZYGNG-UHFFFAOYSA-N 401.469 4.673 5 40 HJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc(Br)c1O 3151777 ATQJTLTWWCJIGC-UHFFFAOYSA-N 406.019 4.622 5 40 HJBB COc1ccccc1-c1noc(-c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)n1 8586848 CFNUAGWAKJBVAK-UHFFFAOYSA-N 416.437 4.957 5 40 HJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 12576001 LKLJHUQSIIPDDB-OAHLLOKOSA-N 420.494 4.733 5 40 HJBB O=C(Nc1ccccc1)c1sc(NC[C@@H]2CCCO2)nc1-c1ccc([N+](=O)[O-])cc1 13145929 IFJZSOGZPJVETR-KRWDZBQOSA-N 424.482 4.562 5 40 HJBB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 95457280 SXEBYZXOPSUIFJ-IFXJQAMLSA-N 412.445 4.793 5 40 HJBB O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1cccc(Cl)c1 409213023 RXBOEFGHEWUIPH-WLRTZDKTSA-N 411.222 4.848 5 40 HJBB COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 3559302 ONKFLABGECBELU-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 7780242 TYHHCXJRQXYTDM-WEVVVXLNSA-N 413.813 4.926 5 40 HJBB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1Cl 12946218 ISAPXPJPNVHWTN-UHFFFAOYSA-N 414.874 4.520 5 40 HJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)cc1[N+](=O)[O-] 408998985 JRYSZGDTLOMUKZ-TZYHBYERSA-N 416.433 4.773 5 40 HJBB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 1416467 SVYKGAPIJDEUEV-UDWIEESQSA-N 420.446 4.993 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(Cc2ccccc2)nc1-c1cccs1 7915885 HMZNKAKWKCSCTJ-UHFFFAOYSA-N 404.451 4.820 5 40 HJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 8475352 XHBJYPAATUKRFX-QFIPXVFZSA-N 409.463 4.691 5 40 HJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1Cl 408877993 ZRMKPYHNYYDTHH-UHFFFAOYSA-N 410.948 4.531 5 40 HJBB COCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 36612847 JUMORRHUBLTIQS-UHFFFAOYSA-N 422.482 4.621 5 40 HJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3CCC(C)C)cc1 2247440 MQKCOQAYCSCYRU-UHFFFAOYSA-N 411.509 4.697 5 40 HJBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(F)cc2)n31 9307349 ZPPDQGMHLFWEFV-NSHDSACASA-N 424.530 4.543 5 40 HJBB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2s1 17088483 SQAXMZVGVPDWFU-JXMROGBWSA-N 410.455 4.595 5 40 HJBB O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 71924733 FTNKVGOHEWCYDE-UHFFFAOYSA-N 406.829 4.899 5 40 HJBB O=c1nc(Cc2ccccc2)n(Cc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc12 1372466 CUEOENXRQTZGDM-UHFFFAOYSA-N 405.841 4.597 5 40 HJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2411389 UIYNSNZTJKAXLB-CQSZACIVSA-N 417.900 4.967 5 40 HJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccccc3s2)c1 4695693 IOCISPPUFWCWBO-UHFFFAOYSA-N 401.403 4.672 5 40 HJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 8051503 ATZLUBPLJRJAIY-UHFFFAOYSA-N 409.423 4.835 5 40 HJBB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 13000748 ITLGVDZNXQBTOD-CYBMUJFWSA-N 413.455 4.643 5 40 HJBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)c1 2401279 LOZRMNLCDGAZOO-UHFFFAOYSA-N 411.509 4.947 5 40 HJBB Cc1nc2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)ccc2n1-c1ccccc1 3202749 AAPUVGRDMYNPTG-DHZHZOJOSA-N 404.451 4.956 5 40 HJBB O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6595584 FETRVDFAXTYVDM-JOCHJYFZSA-N 409.825 4.958 5 40 HJBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140454 OHUXCJWJDNFSNP-UHFFFAOYSA-N 404.378 4.859 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2cccs2)n1 32842235 HSACDIJXQOSCAC-UHFFFAOYSA-N 407.904 4.634 5 40 HJBB C[C@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1[N+](=O)[O-] 72229609 SDQWKEBABFBNNJ-AWEZNQCLSA-N 403.866 4.645 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9899030 MVGPXPYXGPZNLC-IBGZPJMESA-N 402.472 4.793 5 40 HJBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(Cl)c1 409066472 OVDREZDXWJZSMH-BOPFTXTBSA-N 409.785 4.606 5 40 HJBB Cc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 8616605 OVQWFFKEFWJPIU-UHFFFAOYSA-N 410.260 4.729 5 40 HJBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3cc(Cl)ccc3Cl)n2CCO)c1 15931241 FACNDMUTQDGZGX-JZJYNLBNSA-N 410.282 4.656 5 40 HJBB COc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c([N+](=O)[O-])c1 4959802 NJEWTIDOTKZQSW-UHFFFAOYSA-N 408.439 4.509 5 40 HJBB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 10542696 GYVDXZUZEBVXHV-UHFFFAOYSA-N 414.820 4.896 5 40 HJBB Cc1csc(NC(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)n1 35314705 FHNZWEDVLZKHTE-UHFFFAOYSA-N 423.548 4.888 5 40 HJBB C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2629145 GPYGACALOVHRLN-QMMMGPOBSA-N 406.719 4.812 5 40 HJBB Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cs1 12396591 AKXJXUQICHIDHT-UHFFFAOYSA-N 407.904 4.714 5 40 HJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 12777506 ZQGLFNIUJJEZHO-CYBMUJFWSA-N 415.396 4.680 5 40 HJBB CCn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 106739201 HGBSAUWVJFBCSX-ODLFYWEKSA-N 407.451 4.806 5 40 HJBB CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408570637 LQYOLBMMRSNATH-GOSISDBHSA-N 400.529 4.716 5 40 HJBB Cc1ccc(F)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 9221267 FIPWTDNZPPQVMD-UHFFFAOYSA-N 412.396 4.976 5 40 HJBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@@H]1c1ccccc1 13007039 QXIHABSDJFDKGJ-NRFANRHFSA-N 410.520 4.923 5 40 HJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)O)ccc3C)o2)c([N+](=O)[O-])c1 20150998 UZIAIQUNCMPZHX-JXMROGBWSA-N 406.394 4.822 5 40 HJBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2ccsc2)c1 58313738 NVOUDDBSSGQMHW-UHFFFAOYSA-N 423.450 4.650 5 40 HJBB COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 4965500 BLWVJIDJXUJLRC-UHFFFAOYSA-N 409.876 4.597 5 40 HJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)/C=C/c1ccco1 12613140 GDFFZBYCQWTOGW-CMDGGOBGSA-N 412.423 4.745 5 40 HJBB Cc1c(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 17091239 YMPFJZRYKSMCJX-UHFFFAOYSA-N 417.796 4.702 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39747670 XFBCHZHDPNOPJY-UHFFFAOYSA-N 405.857 4.546 5 40 HJBB CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)n2C 100815867 QEVUAGJAMWKNAW-FMQUCBEESA-N 413.480 4.503 5 40 HJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)cc1 101345780 AVDGMNROAPFDST-UHFFFAOYSA-N 416.389 4.629 5 40 HJBB O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1843052 KCEDGJCNSXBJOR-BJKOFHAPSA-N 421.541 4.859 5 40 HJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 6362294 BSRDTXBBVGMJNL-UHFFFAOYSA-N 412.511 4.935 5 40 HJBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20140564 LIIISGASCJFPNL-UHFFFAOYSA-N 400.774 4.767 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 5143216 KXXBEJDGINBTMZ-KRWDZBQOSA-N 420.465 4.696 5 40 HJBB O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)cs2)c1 97105288 SVBYJAAJDIDKLM-LJQANCHMSA-N 405.483 4.932 5 40 HJBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c1C 408693613 AZXVKCRDKXINSL-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB O=C(CSc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4836706 UIGOSXYFIAITCC-UHFFFAOYSA-N 401.669 4.742 5 40 HJBB CCc1cc(N2CCC(Nc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 83820392 TXKCVHRUORBQMQ-UHFFFAOYSA-N 421.476 4.834 5 40 HJBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 215047929 QPVFBJXRFVPTMD-OQLLNIDSSA-N 419.256 4.594 5 40 HJBB CC(C)(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 6708008 AYCVCACGUFXJJG-UHFFFAOYSA-N 412.522 4.964 5 40 HJBB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21 32936856 UNOAJNNVALMGSO-UHFFFAOYSA-N 409.486 4.760 5 40 HJBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 4545095 YBZUEVNADLWZBZ-NSPYISDASA-N 409.467 4.895 5 40 HJBB Cc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(C)C)n2)cc1 7759762 AIICAJLOEOOZTK-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 10377366 SQXDOKKPZWCZGJ-UHFFFAOYSA-N 420.853 4.508 5 40 HJBB COc1ccc2oc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)cc2c1 10882591 FPVRQLMSICFBBP-UHFFFAOYSA-N 401.425 4.787 5 40 HJBB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9209798 ZEDKAJHAWAIBMM-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(O)CC(C)(C)CC1=N2 102674474 PNWLOOBZUMCBMF-HNNXBMFYSA-N 419.894 4.869 5 40 HJBB O=[N+]([O-])c1ccc(CSCCOCCSCc2ccc([N+](=O)[O-])cc2)cc1 6472320 NOOQQYMNWOODGA-UHFFFAOYSA-N 408.501 4.686 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222937014 GDHVSPUJSXAFGL-RTWAWAEBSA-N 422.510 4.878 5 40 HJBB CCCCn1c(=O)nc2n(-c3ccc(C)cc3C)c3cccc(Cl)c3cc-2c1=O 2258669 AIIAWHWZRAPRME-UHFFFAOYSA-N 407.901 4.723 5 40 HJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ncc(Cl)cc1Cl 9440543 JPMJRSWWOBOXRN-UHFFFAOYSA-N 415.283 4.637 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)C(C)C)c3)cc2[N+](=O)[O-])CC1 13608744 MTPAYGLXXZGOQB-UHFFFAOYSA-N 424.501 4.678 5 40 HJBB O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 30752013 SHILPPWMYMOEQM-XQNSMLJCSA-N 424.460 4.638 5 40 HJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 2426271 LMGXVEQUOZWRJS-UHFFFAOYSA-N 411.509 4.947 5 40 HJBB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccc([N+](=O)[O-])cc1 3625232 IJRURWPNDILRCB-GLBTYYSXSA-N 401.422 4.715 5 40 HJBB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc([N+](=O)[O-])c4)sc3n2)cc1 4931004 BCBTXOXENLUTJM-UHFFFAOYSA-N 408.439 4.540 5 40 HJBB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 6553503 NSWYWVVYNHHUAZ-UHFFFAOYSA-N 411.487 4.559 5 40 HJBB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 12859716 CWNOKAPZDOFRAG-UHFFFAOYSA-N 421.837 4.984 5 40 HJBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@@H]2[C@@H]4C=C[C@H](c5ccccc54)[C@@H]32)c([N+](=O)[O-])c1 104282963 WOIFGKFONXIBLL-SZAWYWIZSA-N 416.433 4.887 5 40 HJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1[N+](=O)[O-] 215145252 OKOLAUPSHXKSLP-FRKPEAEDSA-N 422.821 4.632 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(C3CCCCC3)nc21 2340147 OCOKSUPDTXWELU-UHFFFAOYSA-N 413.521 4.539 5 40 HJBB Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] 17092703 PZBXISPPELGOOX-UHFFFAOYSA-N 421.478 4.609 5 40 HJBB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 40133359 RSIXWLQQPFBYSO-UHFFFAOYSA-N 421.501 4.553 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 101024761 MKADPHRFSHXWRG-GGILJOMBSA-N 414.461 4.607 5 40 HJBB Cc1c(NC(=O)COc2ccc(C(C)C)cc2Br)cccc1[N+](=O)[O-] 218872011 HENJWFMLYDQBLD-UHFFFAOYSA-N 407.264 4.807 5 40 HJBB O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 409166401 FKMLMCPLDGOIPW-GZTJUZNOSA-N 409.785 4.606 5 40 HJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 7641824 AQPFBLZUHLCFBZ-UHFFFAOYSA-N 404.791 4.532 5 40 HJBB O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 84393493 PBKWUTLBCJRWMT-WBVHZDCISA-N 400.793 4.933 5 40 HJBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccccc1 409195968 LRCXKTVTNXZZCB-VZCXRCSSSA-N 401.875 4.619 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 5219740 MAXQNYRTLMKVSU-UHFFFAOYSA-N 417.900 4.964 5 40 HJBB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1440337 LYHBCRHMGUFBMC-RQZCQDPDSA-N 416.817 4.542 5 40 HJBB CN(C(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 25029751 NKMPOBNCUPENMQ-UHFFFAOYSA-N 410.857 4.875 5 40 HJBB O=C(N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 27025462 HVIAIIRPNFJDKJ-CQSZACIVSA-N 424.067 4.753 5 40 HJBB Cc1cc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 1311178 NHHKLNQKYVRWPK-UHFFFAOYSA-N 405.406 4.522 5 40 HJBB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)c1C 3008338 JIGQOAGRRWCBCE-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 5777005 ANDKNXSBKDTNEV-OAQYLSRUSA-N 403.463 4.926 5 40 HJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)nc1 23615805 VAJJCVDNKNBMCI-UHFFFAOYSA-N 411.393 4.667 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222901682 XHYXBDKXBXIOBI-PMACEKPBSA-N 408.483 4.632 5 40 HJBB Cc1ccccc1-c1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 2326828 DNIYUHGTXHJEBI-UHFFFAOYSA-N 400.459 4.588 5 40 HJBB Cc1ccc(Cl)cc1-n1nnnc1[C@@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 4042549 FUHDOFDRPLYNEW-FQEVSTJZSA-N 420.860 4.734 5 40 HJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(F)cc1 4246509 DSPOEMOTKQAPST-UHFFFAOYSA-N 416.481 4.583 5 40 HJBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9704672 WUMJJXLURDGOOE-UHFFFAOYSA-N 415.434 4.796 5 40 HJBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408560845 FGSWDSNVEKAPAD-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408576525 XOQDROHNUJKZBN-HXUWFJFHSA-N 412.515 4.818 5 40 HJBB CCCCN1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 408999634 XAZUKIIHQLOIJG-UHFFFAOYSA-N 418.405 4.509 5 40 HJBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(F)cc1 409196524 OTGLJJZJBWYTQG-QOCHGBHMSA-N 419.865 4.758 5 40 HJBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2256765 NLYGLYIIBOHIDG-UHFFFAOYSA-N 417.900 4.796 5 40 HJBB Cc1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cccc1[N+](=O)[O-] 7778974 FMBQMMYMUMOHJI-UHFFFAOYSA-N 416.861 4.550 5 40 HJBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 13960351 PWPBOHPTPWVGQG-HDICACEKSA-N 400.818 4.720 5 40 HJBB CSc1nc(-c2cccs2)nc(C)c1C(=O)OCc1ccccc1[N+](=O)[O-] 22978182 CBDPAXVNAWLIKD-UHFFFAOYSA-N 401.469 4.501 5 40 HJBB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 25250147 JPHHTCALPHMFIJ-KRWDZBQOSA-N 424.526 4.537 5 40 HJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 59500390 MAXUGBKMBSLEER-QQNJPBSNSA-N 424.456 4.556 5 40 HJBB biogenic CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408559619 AEJQFIDXKUIHMD-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Br 16226644 FLIPDVQJIMJNMP-UHFFFAOYSA-N 417.215 4.878 5 40 HJBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1N[C@H](C)c1ccccc1 27460203 DAAQJWRVTRSFNX-CYBMUJFWSA-N 417.358 4.534 5 40 HJBB CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] 32900630 MCWOHTFBSOPCDT-UHFFFAOYSA-N 419.441 4.557 5 40 HJBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 21577887 KOSLGQWNZGMITM-UHFFFAOYSA-N 412.465 4.577 5 40 HJBB CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccc(Cl)cc1 408581475 IKVAARBLWIVPEE-UHFFFAOYSA-N 402.863 4.880 5 40 HJBB CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccc(C)cc3nc21 1858965 UIOBFECGYHKFFR-UHFFFAOYSA-N 403.442 4.854 5 40 HJBB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cc([N+](=O)[O-])ccc3Cl)NC(=O)CCN21 5216242 TUAVOUGISZUPSM-DQACCSDVSA-N 411.889 4.584 5 40 HJBB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc12 9588819 YNJITCPIJORVGY-UHFFFAOYSA-N 414.393 4.834 5 40 HJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409247290 MCNRBPYBPRQQNR-WQRHYEAKSA-N 423.812 4.914 5 40 HJBB C[C@@H](Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 9095398 FWHPKSLWLFXJHZ-NSHDSACASA-N 402.863 4.698 5 40 HJBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5445288 HRVIIDCBIPBUFK-UHFFFAOYSA-N 408.801 4.606 5 40 HJBB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc2nc3ccccc3nc12 5524959 NBFWQHUSMJBCCD-DVECYGJZSA-N 408.505 4.540 5 40 HJBB CS(=O)(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 8203903 CVOISGDXPTVJAL-UHFFFAOYSA-N 406.847 4.524 5 40 HJBB CC(C)[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2[nH]1 14729699 FZGCIXTVLILXQJ-DEOSSOPVSA-N 424.504 4.545 5 40 HJBB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)ccc3Cl)o2)c([N+](=O)[O-])c1 20140558 HCYPXBFYJRPQMX-UHFFFAOYSA-N 400.774 4.767 5 40 HJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 33470118 CBLGWZAOAFLOCE-UHFFFAOYSA-N 404.831 4.841 5 40 HJBB Cc1cc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1Cl 40870388 WZJGHFZRNDTDEJ-UHFFFAOYSA-N 403.847 4.698 5 40 HJBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 205710512 ZZSFBYLTNZFHSQ-UDWIEESQSA-N 405.475 4.981 5 40 HJBB O=C(CSCc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 218194803 ASAPXBBYZYJFHD-UHFFFAOYSA-N 415.696 4.883 5 40 HJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccccc2)no1 2241820 LYZFHLBDDQBFPC-NRFANRHFSA-N 408.413 4.992 5 40 HJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5141782 SOPGDRKYGQBYCO-CVDCTZTESA-N 415.405 4.566 5 40 HJBB Cc1nc2ccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)cc2nc1C 6848345 WDKSJKOUPXFMTQ-UHFFFAOYSA-N 410.429 4.863 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(CN2CCCCC2)cc1 10902897 FCUATHKGYWBOEE-UHFFFAOYSA-N 401.894 4.506 5 40 HJBB O=C1S/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(O)cc1 55253669 WUMXMPVWMWCKFY-MNXDUIDKSA-N 402.815 4.664 5 40 HJBB CCN(CC)CCNc1ccc([N+](=O)[O-])c2sc3cc(Cl)ccc3c(=O)c12 4522850 ZBZZLMYWFHWFNA-UHFFFAOYSA-N 405.907 4.730 5 40 HJBB O=[N+]([O-])C[C@@H](Nc1ccccc1)c1cccc([C@@H](C[N+](=O)[O-])Nc2ccccc2)c1 3845195 MKKZTEXEWNZAPK-FGZHOGPDSA-N 406.442 4.546 5 40 HJBB biogenic C[C@H]1[C@@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 4767739 INWAIRBJADEMBM-BMIZZYGASA-N 423.416 4.794 5 40 HJBB O=[N+]([O-])c1ccccc1SNc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 5946116 KZRHGLBGHBYTBA-UHFFFAOYSA-N 400.437 4.653 5 40 HJBB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 71889318 VQBFIDWHRNEARO-XMMPIXPASA-N 421.541 4.892 5 40 HJBB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)c1 95457278 SXEBYZXOPSUIFJ-LIRRHRJNSA-N 412.445 4.793 5 40 HJBB Cc1nn(-c2ccc(I)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 1196832 MCPQJRPURIWOTN-UHFFFAOYSA-N 419.222 4.669 5 40 HJBB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 5264795 OUCDIWBNCSFLFH-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C)nc3[N+](=O)[O-])ccc21 5970311 SCBGTZWBOYXCIJ-OAHLLOKOSA-N 418.453 4.832 5 40 HJBB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 13801502 VTKZDTUTWZFSRQ-FYYLOGMGSA-N 401.422 4.846 5 40 HJBB Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 29292580 BIIVOKITJIAIRU-LBPRGKRZSA-N 418.375 4.599 5 40 HJBB CCCCSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408751253 YKEHIJOIDRIAIY-UHFFFAOYSA-N 413.480 4.897 5 40 HJBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(F)cc1 2645761 ZZVVXRYXLMIUSR-UHFFFAOYSA-N 421.453 4.784 5 40 HJBB O=c1c2ccccc2oc2nc(-c3cccc([N+](=O)[O-])c3)n3c4ccccc4nc3c12 5207522 UAJMZZPLMQXZAA-UHFFFAOYSA-N 408.373 4.717 5 40 HJBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])C1 12660896 FURGVFSGEISKMF-GFCCVEGCSA-N 422.890 4.586 5 40 HJBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1[N+](=O)[O-] 14878125 KKCGMCVPXCLUDY-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB Cc1cc(NC(=O)COc2ccc3ccccc3c2)nc2c1c(=O)oc1ccccc12 4108162 UOFKPHSXTCMSJF-UHFFFAOYSA-N 410.429 4.820 5 40 HJBB COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 9459978 LXYJGVMFIXGPMQ-UHFFFAOYSA-N 419.462 4.595 5 40 HJBB O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2c(ccc3ccccc32)o1 20412535 DRKFODLCHJHPOM-RMKNXTFCSA-N 410.517 4.777 5 40 HJBB Cc1cc(C)nc(Nc2ncc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)n1 10381860 ZODHUWLFNAODEE-UHFFFAOYSA-N 404.405 4.737 5 40 HJBB COc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc12 10747731 AEKGSGMNGGQUNW-UHFFFAOYSA-N 401.425 4.787 5 40 HJBB Cc1ccc(-c2csc(-n3c(NC(=O)c4ccccc4[N+](=O)[O-])cnc3C)n2)cc1 32616167 SEULMYKHWRNHEH-UHFFFAOYSA-N 419.466 4.773 5 40 HJBB COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1[N+](=O)[O-] 215180565 IVMOBTQEJROQIC-LZYBPNLTSA-N 422.821 4.632 5 40 HJBB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 222630302 FJYFHGHKGHNWOV-SVIJTADQSA-N 406.467 4.839 5 40 HJBB O=C(Nc1cccnc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975097 KBFBESLNNONDIL-UHFFFAOYSA-N 417.432 4.918 5 40 HJBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 260756137 DPQMJULSCUARIY-LPTQZCDUSA-N 419.510 4.760 5 40 HJBB Cc1cc([N+](=O)[O-])cc2nc(-c3cc(I)ccc3Cl)oc12 226237164 VPDRBVNWVPKFSD-UHFFFAOYSA-N 414.586 4.969 5 40 HJBB O=[N+]([O-])c1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 855512 VHUYULQITJEZPR-UHFFFAOYSA-N 402.859 4.644 5 40 HJBB CCCCOc1ccc(CSc2nc(-c3ccccc3OC)n[nH]2)cc1[N+](=O)[O-] 26806750 GCFYDGCNVYVPTM-UHFFFAOYSA-N 414.487 4.860 5 40 HJBB Cc1nc2c(C(=O)c3ccccc3)n3ccccc3c2c2nc3ccc([N+](=O)[O-])cc3n12 31848401 DBRGBZQPEKGUMN-UHFFFAOYSA-N 421.416 4.736 5 40 HJBB Cc1ccc(N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)N2CCCCC2)cc1 10254525 RRCZLYMVSDFADN-UHFFFAOYSA-N 401.850 4.809 5 40 HJBB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 4149965 OGUZPMXAEPZNPF-LBPRGKRZSA-N 400.456 4.575 5 40 HJBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173235 HGOYLWBCNLSXSF-UHFFFAOYSA-N 421.400 4.915 5 40 HJBB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 20151028 YPQHJQPHKZTQNU-JXMROGBWSA-N 406.394 4.822 5 40 HJBB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248248383 NRBHIPHDBAYPRG-CJBVTVNNSA-N 408.454 4.687 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccccc1 409020723 SLUPEAWOCLYTBF-GZTJUZNOSA-N 409.785 4.606 5 40 HJBB O=c1c2ccccc2oc2nc(-c3ccccc3F)n(CCc3ccccc3)c(=O)c12 2342556 OUNKIZOQSNWZAV-UHFFFAOYSA-N 412.420 4.552 5 40 HJBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 3073480 ZTIAGFPTUOOZCG-UHFFFAOYSA-N 410.238 4.927 5 40 HJBB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 7721314 JAJUDXSJIRQQIG-UHFFFAOYSA-N 414.849 4.739 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1Cl 8754089 JBMMJZYEHLJAKK-UHFFFAOYSA-N 403.847 4.941 5 40 HJBB Cc1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223425345 YZLOQOUUCFHERI-OQKWZONESA-N 402.450 4.639 5 40 HJBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 408561064 GFQSVFKZRZQXTK-DQRAZIAOSA-N 411.483 4.511 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2205048 LPFPABJSBHTJFH-UHFFFAOYSA-N 401.514 4.903 5 40 HJBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1cccs1 7024454 IAARWMPJSZHUBX-IBGZPJMESA-N 402.859 4.594 5 40 HJBB Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15649718 HAYONLUALFQIKT-UHFFFAOYSA-N 404.264 4.518 5 40 HJBB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 4009038 DBAHRZVGCSOJKN-JOCHJYFZSA-N 414.396 4.874 5 40 HJBB Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992532 WZKKJIAKUZFRGJ-UHFFFAOYSA-N 418.478 4.872 5 40 HJBB O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 681958148 DWNCXVXNNACNDF-QGZVFWFLSA-N 423.472 4.842 5 40 HJBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 2512853 KDSHNMGGRTZVCB-UHFFFAOYSA-N 404.831 4.841 5 40 HJBB CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1 3008084 CNVUOLGWCXKUGQ-QGZVFWFLSA-N 408.483 4.660 5 40 HJBB COc1c2c(cc3c1[C@H](CC(=O)c1cc(Cl)ccc1Cl)[N+](C)(C)CC3)OCO2 1323077 NWPWOAGXJYNWJY-INIZCTEOSA-N 423.316 4.677 5 40 HJBB biogenic Cc1c(CCC(C)C)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc12 2139650 FQACDYZATFOHIB-UHFFFAOYSA-N 424.453 4.616 5 40 HJBB biogenic Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] 3068813 VXGQZOFAZVDMNV-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB O=C(Cn1cc(SCc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCCC1 4272472 VCBNXOKGDPYZJD-UHFFFAOYSA-N 409.511 4.854 5 40 HJBB O=[N+]([O-])c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 73642122 IZKCYIOSRFOVEU-UHFFFAOYSA-N 400.559 4.661 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1CCc1ccccc1 2307619 TZFCIGJSHWQZKM-UHFFFAOYSA-N 417.472 4.526 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225580569 BLWQQIIWTUIRIJ-UHFFFAOYSA-N 405.857 4.546 5 40 HJBB CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCCC5)CC1 3267632 MWWYTOVVZHSAEM-UHFFFAOYSA-N 418.566 4.963 5 40 HJBB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CSC2 4176123 ANPJEHRHPZZZBE-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB CCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 302922576 VKNCBMVLZHDBMN-UHFFFAOYSA-N 408.405 4.967 5 40 HJBB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 4551523 QRSASHZGVAXHKL-UHFFFAOYSA-N 413.655 4.645 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 4713592 DEYAMPVZZQQXFD-UHFFFAOYSA-N 408.863 4.618 5 40 HJBB CCNc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6311975 UUQHKIRHUMHSRK-QFIPXVFZSA-N 404.422 4.808 5 40 HJBB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 9390988 IECPLOGFPXIESM-UHFFFAOYSA-N 424.482 4.567 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2[N+](=O)[O-])CC1 13063380 BOSASXGGAQNDFS-UHFFFAOYSA-N 411.506 4.785 5 40 HJBB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O 95950237 IEUJSVVMHMDOGK-UHFFFAOYSA-N 412.895 4.669 5 40 HJBB O=C(Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1 3211300 PYEUSSCHBLGQQS-UHFFFAOYSA-N 418.434 4.709 5 40 HJBB Cc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 408997900 OUULWOJXTKFUBL-UHFFFAOYSA-N 402.479 4.672 5 40 HJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)cnc32)c1 2318027 DXLIUARDQYCYGR-UHFFFAOYSA-N 417.472 4.640 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 5065046 YPYYGRWMKRTYKK-AWEZNQCLSA-N 415.472 4.761 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9909877 DKJBYZQUQIXMNX-UHFFFAOYSA-N 408.254 4.893 5 40 HJBB O=C(NCc1ccccc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974181 DCOALHARPRAUAX-UHFFFAOYSA-N 415.456 4.809 5 40 HJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 655487 BRZJYCIJQPLGKT-BKUYFWCQSA-N 400.390 4.518 5 40 HJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)Sc2ccccc2O3)cc1 5582949 KSGNPJZUHJLONN-UHFFFAOYSA-N 400.437 4.653 5 40 HJBB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6602569 HYLZOJGXXGSIHB-HNNXBMFYSA-N 416.890 4.634 5 40 HJBB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 10732128 UOUHATAZLBMRPG-JTQLQIEISA-N 420.878 4.643 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38853896 RYATWDPOOZVWII-ZDUSSCGKSA-N 408.285 4.752 5 40 HJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1c(c(C(=O)O)cc3ccccc13)O2 4644887 PEMSNAGPTUDVDY-DEOSSOPVSA-N 416.433 4.976 5 40 HJBB COc1ccc2c(=O)c3c(nc(-c4ccc(F)cc4)n4c5ccccc5nc34)oc2c1 5209066 ZYGMWBASMMYNDR-UHFFFAOYSA-N 411.392 4.957 5 40 HJBB O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 8425977 DMXOQQWVRNSNDX-VIZOYTHASA-N 405.322 4.686 5 40 HJBB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1[N+](=O)[O-] 675495 FTPOYPIGYJRWJL-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB CCN(c1ccccc1)[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 8652979 GCFVHYZHIZAETE-GOTSBHOMSA-N 417.465 4.586 5 40 HJBB Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442013 KUIZJZVDGSSOAF-UHFFFAOYSA-N 423.429 4.604 5 40 HJBB C[C@@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)O)CC1(Cl)Cl 12601134 VUSSURFASMWBMD-HNNXBMFYSA-N 415.254 4.544 5 40 HJBB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408819962 SCGFBNJZUFAOGR-ODLFYWEKSA-N 407.451 4.572 5 40 HJBB CCCCOc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 6203961 OAUGWIXCMVOAHX-UHFFFAOYSA-N 401.444 4.644 5 40 HJBB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1Cc1cccs1 9631206 XMWCHOCEKYXYKH-MDZDMXLPSA-N 424.478 4.562 5 40 HJBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F 24306434 NPFSRRJMYUYPDT-UHFFFAOYSA-N 409.147 4.938 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222892454 XVDZCKWRMIQGHU-PMACEKPBSA-N 408.483 4.632 5 40 HJBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224945630 QDSRHJNIVLNVGY-UHFFFAOYSA-N 409.678 4.770 5 40 HJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCc2ccccc21 3400332 GWTBIIZBRJLZPB-OAQYLSRUSA-N 407.857 4.991 5 40 HJBB CCc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2oc3ccccc3c2n1 5561326 OYNGMAGKAUGFRT-UHFFFAOYSA-N 408.439 4.577 5 40 HJBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 59212937 QRTLBCLUGUZKPA-UHFFFAOYSA-N 418.862 4.646 5 40 HJBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222978483 UIFOFNFYKQGXDO-SFTDATJTSA-N 421.526 4.553 5 40 HJBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408561701 KIAWRRJLOUOQKJ-VZCXRCSSSA-N 401.875 4.848 5 40 HJBB COc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c2nc3ccccc3n12 5205294 XHIHNEJTGPULIC-UHFFFAOYSA-N 406.445 4.563 5 40 HJBB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1C 5747027 QRVHXUMDPUXXBS-YRNVUSSQSA-N 413.437 4.597 5 40 HJBB CC(C)c1ccc(CCNC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 12522159 MPNZRKICUKDOFJ-UHFFFAOYSA-N 414.505 4.542 5 40 HJBB COc1cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1[N+](=O)[O-] 219821409 UZLQAIDMVDEIIZ-UHFFFAOYSA-N 424.478 4.913 5 40 HJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 408541666 FBTSHAWYWDYBQY-POHAHGRESA-N 411.370 4.557 5 40 HJBB O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409180421 SHFPFCCKAWSFEU-QFIPXVFZSA-N 409.825 4.958 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccc(Cl)cc3)nc21 2242296 NIVIHPJCJKDNDH-UHFFFAOYSA-N 413.864 4.558 5 40 HJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1C 33397972 ZHETUGWVQVHZSX-UHFFFAOYSA-N 413.430 4.738 5 40 HJBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccccc1 409229059 JDWSAIHNYVQJIW-WOJGMQOQSA-N 423.812 4.601 5 40 HJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2409923 JOPUJLNFJIXWRT-UHFFFAOYSA-N 417.900 4.715 5 40 HJBB O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 3647610 IVXTXTKDOXPLHH-WSWWRLHASA-N 402.475 4.644 5 40 HJBB O=C1/C(=C\C=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1O 5946241 GKLBDKSHIXELKD-ADCWSOHQSA-N 411.417 4.691 5 40 HJBB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 170499259 DUPCDSKTBWKRGJ-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccccc1OCc1ccc2ccccc2c1 409325694 ZSFIEUSRUWGAMJ-VAWYXSNFSA-N 415.405 4.699 5 40 HJBB Cc1ccc([N+](=O)[O-])c(OCCSc2ncnc3sc4c(c23)CCCC4)c1 1749524 JDJMGYQENMZWEW-UHFFFAOYSA-N 401.513 4.958 5 40 HJBB CC(=O)Nc1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 4860529 IDLKJLPQMODSCZ-UHFFFAOYSA-N 400.394 4.956 5 40 HJBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 6226092 BRCNZGFISYSAOW-UHFFFAOYSA-N 402.863 4.502 5 40 HJBB COc1cccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1 2959617 YZWBSZSEHJWMLL-UHFFFAOYSA-N 414.490 4.775 5 40 HJBB aggregator O=C(Nc1ccccc1)c1sc(NC[C@H]2CCCO2)nc1-c1ccc([N+](=O)[O-])cc1 9282981 IFJZSOGZPJVETR-QGZVFWFLSA-N 424.482 4.562 5 40 HJBB Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 9445989 WQOUHNDSULXKBN-MRXNPFEDSA-N 404.422 4.806 5 40 HJBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 12512304 OHUTVTBTETWICX-CYBMUJFWSA-N 422.312 4.995 5 40 HJBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 995598 FHDZGUTZVWIDQR-FROQITRMSA-N 414.483 4.610 5 40 HJBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2)cc1 4603946 CJLJPLLHHOOHEO-BZZOAKBMSA-N 415.405 4.834 5 40 HJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(-c3ccccc3)nc21 5345414 HOICZEVEXTYDPA-UHFFFAOYSA-N 413.864 4.558 5 40 HJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](CC)C2 6122655 WCAYRMGHUMXGQM-LBPRGKRZSA-N 402.472 4.600 5 40 HJBB CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] 10120027 SKLDXWAGKIDBSK-UHFFFAOYSA-N 417.421 4.978 5 40 HJBB Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 10904353 OEKAZXGGUAJIQO-UHFFFAOYSA-N 413.861 4.803 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36757153 ZKANSBSIKFIJPH-HXUWFJFHSA-N 413.524 4.612 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44885503 WNMCBXMLYQVNJR-UHFFFAOYSA-N 417.465 4.809 5 40 HJBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 32114871 WFVQSDFPARNYBS-UHFFFAOYSA-N 405.838 4.638 5 40 HJBB Cc1c(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cccc1[N+](=O)[O-] 40122993 BKBKGSAEMZYBNG-UHFFFAOYSA-N 423.542 4.762 5 40 HJBB CC(C)Oc1c(Cl)cccc1NC(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 96011226 LYKCZLIXSCULLJ-UHFFFAOYSA-N 400.822 4.678 5 40 HJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccco3)n2Cc2ccccc2)c([N+](=O)[O-])c1 1829096 TZHLKYBLBJQDOP-UHFFFAOYSA-N 423.410 4.554 5 40 HJBB CCOc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c([N+](=O)[O-])c1 4339477 YDOHFSDEIAMGLF-UHFFFAOYSA-N 404.378 4.505 5 40 HJBB C[C@H](O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 7541017 NLJQCNDFKOBOSP-AWEZNQCLSA-N 415.877 4.763 5 40 HJBB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 7721346 BWJRRTBMEVOOBR-UHFFFAOYSA-N 414.849 4.739 5 40 HJBB Cc1ccc(C2=NN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 8428003 BTRCTIQHGRTACB-IBGZPJMESA-N 419.437 4.561 5 40 HJBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3ccc(F)cc3)c12 18022581 LZFLIEZEFHYZBS-UHFFFAOYSA-N 413.455 4.991 5 40 HJBB CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cccn2)cc1 95448974 UZWFSBMFUUQHMH-UHFFFAOYSA-N 424.526 4.518 5 40 HJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2421247 WGHXGNPIJYUJJW-UHFFFAOYSA-N 411.509 4.583 5 40 HJBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 8903657 BFDWFSJDPPZJOQ-UHFFFAOYSA-N 419.846 4.675 5 40 HJBB Cc1nc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cs1 24834612 ZBUSHQQBPBEYNW-UHFFFAOYSA-N 401.875 4.653 5 40 HJBB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])cc1 5525436 LEYCKGRFIBDZLN-JTHBVZDNSA-N 401.422 4.846 5 40 HJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 408577397 ZFFGMFMNEXMCKV-SFHVURJKSA-N 418.906 4.738 5 40 HJBB CN(Cc1ccc(Br)s1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 9671433 UIERQEVIMRYHQP-UHFFFAOYSA-N 411.302 4.906 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC 16006512 FOTLLWDQEQCNDU-UHFFFAOYSA-N 419.846 4.641 5 40 HJBB C[C@H]1Cn2c(-c3ccc([N+](=O)[O-])cc3)c[n+](-c3ccc(Br)cc3)c2S1 26441834 LHWWDNFXWDKQEO-LBPRGKRZSA-N 417.308 4.597 5 40 HJBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 89782930 AFTAZMCTFSZZCT-CYBMUJFWSA-N 411.266 4.580 5 40 HJBB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222945885 VTYINDWPSOZUME-NHCUHLMSSA-N 422.510 4.878 5 40 HJBB Cc1ccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)cc1 40398727 OIXBBEYXQJOFPQ-UHFFFAOYSA-N 407.473 4.615 5 40 HJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1C 408696228 YEHIJGTUYNCFAP-UHFFFAOYSA-N 413.437 4.712 5 40 HJBB COc1ccccc1-n1c(SCc2c(C)noc2C)nc2cc([N+](=O)[O-])ccc21 3323224 UIEDHHLPHQXZLJ-UHFFFAOYSA-N 410.455 4.839 5 40 HJBB CCOc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)n2)cc1 4086466 OXRWGHGUQURODU-VQHVLOKHSA-N 401.469 4.830 5 40 HJBB C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 6589303 YBCUFGOWBQKXJR-LLVKDONJSA-N 403.460 4.977 5 40 HJBB CC(C)n1ncc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3cccs3)nc21 12773571 WAPRLDWWEDKHSD-UHFFFAOYSA-N 407.455 4.901 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 11689826 FSESSJPXLVIHGD-HXUWFJFHSA-N 422.824 4.955 5 40 HJBB CC(C)c1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 13009019 FCPFDDZKVYZWNM-INIZCTEOSA-N 422.485 4.920 5 40 HJBB COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c([N+](=O)[O-])cc1OC 25270261 TXWOAEMZGQLKIX-UHFFFAOYSA-N 419.865 4.508 5 40 HJBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(O)nc2ccccc12 409176093 HFSUEEOKWGZVSB-UHFFFAOYSA-N 416.389 4.998 5 40 HJBB CN(C)c1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 5509629 QNSPPOYFILCUNF-WGDLNXRISA-N 417.425 4.700 5 40 HJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409332169 KIBYBAAAJDRCGZ-JXMROGBWSA-N 422.828 4.623 5 40 HJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccccc1 12595730 QZCRYZOYQHGZIZ-UHFFFAOYSA-N 410.451 4.681 5 40 HJBB CCc1ccc([C@@H]2N[C@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 36213190 JTRXAGQKEBNGGS-ZDNVTZCJSA-N 411.502 4.514 5 40 HJBB aggregator Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674822 CVYRTUHUANDZMG-UHFFFAOYSA-N 417.396 4.783 5 40 HJBB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])cc1 861818 BDQJOMUHBBUMRG-UHFFFAOYSA-N 409.254 4.596 5 40 HJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nncs1)c1ccccc1 3279194 IJNNUTSNCMTNQN-AWEZNQCLSA-N 406.876 4.572 5 40 HJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)c1 5066057 MBMSQIRIIAVOQJ-UHFFFAOYSA-N 411.509 4.865 5 40 HJBB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)n1 59280700 SZQXMQJAVUBEPQ-UHFFFAOYSA-N 418.375 4.977 5 40 HJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)o1 226769060 UZLDBBKADUNYOM-UHFFFAOYSA-N 420.377 4.513 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(-c4ccc(C)cc4)c(-c4cccs4)nc3oc2c1 2230899 KCRUMLZBLVCRRF-UHFFFAOYSA-N 416.458 4.538 5 40 HJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCCOCC)c(C)nc21 2422516 YFHWTMRAOMMUFP-UHFFFAOYSA-N 421.545 4.610 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 8767534 RKBLJJUMYQOKEY-ZHZULCJRSA-N 421.840 4.658 5 40 HJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)c1 2255458 LAPAVJSMRVCZPJ-UHFFFAOYSA-N 409.493 4.961 5 40 HJBB O=C(OCCCCCc1nc2ccccc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4135362 ANTKAIRKRHSSDX-UHFFFAOYSA-N 415.427 4.683 5 40 HJBB Cc1cccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 408717894 MBQVWVMLFKINCS-UHFFFAOYSA-N 400.378 4.803 5 40 HJBB O=C(Cn1nnc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2751224 MQGWDWRVTZVUDK-UHFFFAOYSA-N 408.801 4.668 5 40 HJBB CCCc1nnc(-n2c(=O)c3ccc4oc5ccccc5c5ccc(c2=O)c3c45)s1 5432457 PYKGWOJRUIOKHV-UHFFFAOYSA-N 413.458 4.645 5 40 HJBB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])o2)N1c1cccc(Cl)c1 6692481 UWHNDAXEKRYJEY-HXUWFJFHSA-N 410.817 4.769 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1nc(-c2ccc(F)cc2F)cs1 17092967 UOWIONKSZNVDPY-UHFFFAOYSA-N 422.438 4.814 5 40 HJBB C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398832 GYTRAJVVXCVVPT-UUOWRZLLSA-N 413.521 4.705 5 40 HJBB O=C(NCCOc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223424996 UOXRZRNYDPGUDA-CAPFRKAQSA-N 422.868 4.984 5 40 HJBB CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226334831 AOVOSFZRDDUZFC-UXBLZVDNSA-N 406.232 4.513 5 40 HJBB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8928047 IRRMBPAWXGFCAY-LJQANCHMSA-N 424.482 4.723 5 40 HJBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)cc1 26608290 QKMXOUIYSCWMDZ-BOPFTXTBSA-N 416.480 4.690 5 40 HJBB Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 22052541 GBAKOAJENOPCAR-UHFFFAOYSA-N 400.818 4.512 5 40 HJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1F 9414183 GPCOMSBKJLCSIK-UHFFFAOYSA-N 419.368 4.985 5 40 HJBB O=S(=O)(CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21)c1ccccc1 9421863 VBVFMWUXYDMXTK-UHFFFAOYSA-N 421.909 4.865 5 40 HJBB CN(C)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 12634475 GRERBJIQRWVFIJ-UHFFFAOYSA-N 401.513 4.626 5 40 HJBB CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 32316008 WKDMMPHZJQRSCW-SFHVURJKSA-N 410.301 4.715 5 40 HJBB CCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 59294199 OBJBAJGHIQKOOL-UHFFFAOYSA-N 424.501 4.822 5 40 HJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2248084 CDETXSZPBVRCOY-UHFFFAOYSA-N 401.514 4.841 5 40 HJBB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4040887 IVXWFOGCRXFKPR-SNVBAGLBSA-N 413.655 4.725 5 40 HJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 5021725 ZUWXVTGSNNTBIB-ZDUSSCGKSA-N 401.445 4.702 5 40 HJBB COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1OC 6762349 GILTUYDEWLMUAN-ACCUITESSA-N 416.429 4.720 5 40 HJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2ccsc2)n1 12971449 ZMAVRWVBGDEANP-UHFFFAOYSA-N 407.904 4.634 5 40 HJBB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58123568 JGQOMWJZFSGANW-UHFFFAOYSA-N 424.545 4.602 5 40 HJBB Cc1c(Cl)cccc1-n1ccnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 12556776 BHAZKTOIRFTQTL-UHFFFAOYSA-N 417.874 4.901 5 40 HJBB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 1307259 KBLHBVPAEBBJKD-JOCHJYFZSA-N 401.422 4.595 5 40 HJBB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 4174587 DSLFYXGWCPWXQW-LBPRGKRZSA-N 400.485 4.541 5 40 HJBB CCCCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 4417535 GRMWNYMDTFRPOQ-WQRHYEAKSA-N 400.818 4.772 5 40 HJBB Cc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 9509370 SZUFMMQUTLFZSD-OAHLLOKOSA-N 420.903 4.880 5 40 HJBB Cc1ccc(C(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 11757741 RUUWQYBQJRKGST-UHFFFAOYSA-N 423.416 4.667 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 17091651 DJPWJRMREVMYPC-UHFFFAOYSA-N 418.689 4.990 5 40 HJBB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])cc1 17155604 JAECAVAMIYUNMD-UHFFFAOYSA-N 410.274 4.795 5 40 HJBB CCOC(=O)c1c(N2CCCCC2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 19927628 SCJQXWZSISDCIC-UHFFFAOYSA-N 405.454 4.977 5 40 HJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C)c(O)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20151009 SVOAKXZQSTYSCC-VMPITWQZSA-N 422.393 4.527 5 40 HJBB Cc1ccc(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408537339 ZZOLOQGGXLQMOY-UHFFFAOYSA-N 415.449 4.766 5 40 HJBB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 1307260 KBLHBVPAEBBJKD-QFIPXVFZSA-N 401.422 4.595 5 40 HJBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)cnc21 2254465 KVCRVZWQPKFRTL-UHFFFAOYSA-N 411.509 4.841 5 40 HJBB O=C(COc1cccc2ccccc12)Nc1ncc(-c2ccc([N+](=O)[O-])cc2)s1 2709747 ZPHLSWVWKJAKMD-UHFFFAOYSA-N 405.435 4.889 5 40 HJBB CC(=O)c1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(C(C)=O)c3)n2)c1 4859514 DXJMQEOWEUISSD-UHFFFAOYSA-N 405.414 4.586 5 40 HJBB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 222630173 FJYFHGHKGHNWOV-MRFFXTKBSA-N 406.467 4.839 5 40 HJBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@@H]2[C@@H]4C[C@H](c5ccccc54)[C@@H]32)c([N+](=O)[O-])c1 104282841 ZYKCQLAVMFDENX-IGKKOWRNSA-N 404.422 4.721 5 40 HJBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 222709183 DPQMJULSCUARIY-GQWLDOHISA-N 419.510 4.760 5 40 HJBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCCN1C(=O)c2ccccc2C1=O 1455575 NGKRIAXFWYJNGM-UHFFFAOYSA-N 420.472 4.732 5 40 HJBB Cc1ccc2nc(-c3ccc(NC(=O)COc4cccnc4[N+](=O)[O-])cc3)sc2c1 9714442 UOYXCRFRDZUWQU-UHFFFAOYSA-N 420.450 4.592 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCSc2ccccc21 22099202 QYMOZWVIOMOFAO-UHFFFAOYSA-N 400.503 4.684 5 40 HJBB O=C(N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 27496269 BXIRNOSPEVCCIX-CQSZACIVSA-N 424.067 4.753 5 40 HJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1F 5156468 JMKJYNSTCBKMFN-CYBMUJFWSA-N 401.445 4.702 5 40 HJBB Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C(C)C 6044187 VEUUXCZLYVEKMH-UHFFFAOYSA-N 421.497 4.664 5 40 HJBB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 12572247 HDFRFUSJOHZQAN-UHFFFAOYSA-N 404.451 4.665 5 40 HJBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(F)cc2)cc1 408694340 JFEROXQYHBRKCT-UHFFFAOYSA-N 417.400 4.542 5 40 HJBB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 5100370 UJHZDDUYVVAXHX-GOSISDBHSA-N 411.454 4.545 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12928128 FHUJUIBQAOJWIY-QFIPXVFZSA-N 407.495 4.551 5 40 HJBB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17089943 DSVMLUGODGAMPZ-UHFFFAOYSA-N 414.512 4.629 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21)c1ccccc1 408618547 DHUKYMZUORQRNH-RFZJPIJTSA-N 420.852 4.643 5 40 HJBB COc1cccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c1 408839826 WQMMPGHQNBONNX-RIYZIHGNSA-N 414.826 4.816 5 40 HJBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 5156305 APXACURTSLPPRX-UHFFFAOYSA-N 411.509 4.697 5 40 HJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cn1 16450594 YEJWKWVYUQRILL-JXMROGBWSA-N 414.215 4.664 5 40 HJBB Cc1cccn2c(=O)cc(CSc3nc4ccccc4c4nc5ccccc5n34)nc12 23220449 JAFNXGMIMGRFNV-UHFFFAOYSA-N 423.501 4.644 5 40 HJBB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409237598 KAMSTBQITBQHMX-MHWRWJLKSA-N 422.846 4.581 5 40 HJBB C[C@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 4193162 KHPBXOQVAOCUSR-QIGVCLAPSA-N 407.854 4.568 5 40 HJBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1C 13633078 UXYVGCCAPBXSTQ-UHFFFAOYSA-N 424.545 4.632 5 40 HJBB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c2cnccc12 15171122 UTKCCFIXAFRUFM-UHFFFAOYSA-N 405.241 4.525 5 40 HJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 5661129 NKTFUZUHEUGFAF-UHFFFAOYSA-N 402.790 4.681 5 40 HJBB Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 5815160 GWYXHCZKKGPCNT-UHFFFAOYSA-N 403.394 4.729 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nc(-c2ccccc2F)no1 5532408 AUABYCQYRBOFPW-UHFFFAOYSA-N 404.357 4.703 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C)nc3[N+](=O)[O-])ccc21 5970312 SCBGTZWBOYXCIJ-HNNXBMFYSA-N 418.453 4.832 5 40 HJBB Cc1csc(Sc2ccc(C(=O)N3CCc4ccccc4C3)cc2[N+](=O)[O-])n1 6784889 DVDAURBPQAOWFQ-UHFFFAOYSA-N 411.508 4.709 5 40 HJBB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 6831248 PEFHCUQWUSPKBY-GFCCVEGCSA-N 415.500 4.618 5 40 HJBB C[C@@H](OC(=O)/C(=C/c1ccccc1)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 22704265 IDSZLZGNBUAURE-DQPIFXJKSA-N 422.462 4.767 5 40 HJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(F)cccc1Br 4678537 JOELJGKPLDGQPI-UHFFFAOYSA-N 405.227 4.509 5 40 HJBB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])o2)N1c1cccc(Cl)c1 6692482 UWHNDAXEKRYJEY-FQEVSTJZSA-N 410.817 4.769 5 40 HJBB CC(C)C(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(C(C)C)n3c4ccccc4nc3c12 8667807 TUOGQXZKTUSWSL-INIZCTEOSA-N 420.513 4.701 5 40 HJBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 8766920 XNEFUKQDLMWXEB-UHFFFAOYSA-N 416.389 4.533 5 40 HJBB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc([N+](=O)[O-])ccc1Cl 9426004 WBQUNINTVACZHL-UHFFFAOYSA-N 401.850 4.517 5 40 HJBB COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(OC)c1 408908940 ZCOLOQZHKPCQEU-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB Cc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2C1CCCCC1 2313990 SECWODNYSTYTSK-UHFFFAOYSA-N 413.481 4.749 5 40 HJBB CC(C)n1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398706 SJVJJQYWHQYOEZ-UHFFFAOYSA-N 400.265 4.588 5 40 HJBB Cc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 95470820 PBNCUMNWTKUHMU-UHFFFAOYSA-N 411.211 4.620 5 40 HJBB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3164601 HOKHKYAKZJCQSP-UHFFFAOYSA-N 423.225 4.793 5 40 HJBB CCOC(=O)C(=O)[C@@H](CCc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC 5832973 YMWNHIYMPTXDTO-OAQYLSRUSA-N 416.473 4.828 5 40 HJBB O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 853519 MHOWJBOUSZOPAS-UHFFFAOYSA-N 401.216 4.797 5 40 HJBB CCC(=O)Nc1ccc2nc(SCc3cc([N+](=O)[O-])ccc3OC)sc2c1 1065786 HQWIAHVYNBFYEG-UHFFFAOYSA-N 403.485 4.854 5 40 HJBB CC(C)c1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1807619 SAVAQFBNHVASRN-UHFFFAOYSA-N 423.469 4.513 5 40 HJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(SCc2ccccc2)ncc1Cl 9305777 NTQMQZRMBCPHHU-UHFFFAOYSA-N 400.847 4.583 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21)c1ccccc1 409370629 BJMXFLZNXXJAGD-NBJYBMASSA-N 420.852 4.643 5 40 HJBB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1053201 ZTMGQMHZNCOGSM-WYMLVPIESA-N 405.410 4.855 5 40 HJBB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 1413965 NSKQSPWCJDNHRH-UHFFFAOYSA-N 403.394 4.729 5 40 HJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Br 6720211 WVEIVJNKSQZROT-UHFFFAOYSA-N 407.267 4.556 5 40 HJBB COc1ccccc1O[C@@H](C)c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 32117683 ZGRFMNNXKLNRGH-ZDUSSCGKSA-N 405.483 4.653 5 40 HJBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 849982 PTIUQYFNDHUCOZ-UHFFFAOYSA-N 408.254 4.650 5 40 HJBB aggregator CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2303239 SUORAQVIZMVZKO-UHFFFAOYSA-N 415.472 4.921 5 40 HJBB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 22396713 NVDQJLSFTYGDPW-UHFFFAOYSA-N 402.790 4.778 5 40 HJBB COc1ccccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3448628 MWSWCLBLEADAAF-UHFFFAOYSA-N 419.462 4.595 5 40 HJBB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 4273148 FACDOPXFWWYJAE-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 8926512 RKVKEQCYNPYWTG-UHFFFAOYSA-N 416.462 4.936 5 40 HJBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C 10120369 HVMXIKIMXRWEOE-UHFFFAOYSA-N 401.422 4.950 5 40 HJBB COc1ccc(OC)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 408925260 OBQLJTOLUWRFLF-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2420795 WAGWMWLYJFAXJV-UHFFFAOYSA-N 417.900 4.983 5 40 HJBB CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C)cc1)=N2 6631026 YKFOMWIYGVELOP-UHFFFAOYSA-N 400.438 4.736 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2ccccc2c1Cl 20611783 JKOWTUYHLDKVRW-UHFFFAOYSA-N 417.874 4.552 5 40 HJBB O=c1oc2ccccc2cc1-c1csc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)n1 2239520 XGPRFIKJRUFKFJ-UHFFFAOYSA-N 418.386 4.598 5 40 HJBB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 12913347 OWQCMCKCBKZGJU-UHFFFAOYSA-N 404.245 4.733 5 40 HJBB COC(=O)c1cc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc([N+](=O)[O-])c1 526052254 KIYHORWWYLSCEM-UHFFFAOYSA-N 402.790 4.650 5 40 HJBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cccc(F)c3)cc([N+](=O)[O-])c2)cc1 851699 RQZDSIULKRPCQR-UHFFFAOYSA-N 409.373 4.737 5 40 HJBB Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 5265020 YUUKGMSPYJSICP-UHFFFAOYSA-N 404.451 4.755 5 40 HJBB CCCC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(CCC)n3c4ccccc4nc3c12 13211632 ORMANWMJTVIBRS-MRXNPFEDSA-N 420.513 4.674 5 40 HJBB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccnc3[N+](=O)[O-])ccc21 5971269 QSBNSYKEZLCENC-AWEZNQCLSA-N 404.426 4.524 5 40 HJBB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)c1ccccc1 58440813 PVEIPHDXRWJHIT-UHFFFAOYSA-N 412.449 4.670 5 40 HJBB O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OCc2ccccc2)cc1 976003 CBYFVYZKWSCPRC-JOCHJYFZSA-N 406.463 4.952 5 40 HJBB COc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959665 VJZQRAVHGQQDRY-UHFFFAOYSA-N 414.490 4.775 5 40 HJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 3444159 YDWUJBCULOCUKD-MRVPVSSYSA-N 419.648 4.970 5 40 HJBB COC[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7977067 RNHJHHFKSHVOFM-LLVKDONJSA-N 414.405 4.530 5 40 HJBB COc1cccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c3nc4ccccc4n23)c1 9002144 IZOYMBKKHDADTH-UHFFFAOYSA-N 423.428 4.826 5 40 HJBB Cc1ccc([N+](=O)[O-])c(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 21616189 SXMSZAFAAAUYLL-UHFFFAOYSA-N 400.818 4.512 5 40 HJBB O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccccc1Cl)c1ccccc1O2 4108400 OWRREFIJAJSCFI-UHFFFAOYSA-N 416.842 4.749 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 6786488 VYYPHVPEIFJYAB-UHFFFAOYSA-N 401.469 4.701 5 40 HJBB Cc1ccc(OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)c([N+](=O)[O-])n1 9630672 JDNTWAQXMYLPES-UHFFFAOYSA-N 401.422 4.719 5 40 HJBB CCOc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 11027069 UFCMFINZZMNXSH-UHFFFAOYSA-N 416.268 4.572 5 40 HJBB Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1[N+](=O)[O-] 408622695 QTDPRBFPDJAHDE-UHFFFAOYSA-N 400.390 4.929 5 40 HJBB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])cc1 5525437 LEYCKGRFIBDZLN-FYYLOGMGSA-N 401.422 4.846 5 40 HJBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC 24585757 WBZIOZFEJQRXSF-CYBMUJFWSA-N 402.472 4.533 5 40 HJBB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14792925 UCOWKRRTDFZZSQ-ZWKQNVPVSA-N 415.449 4.738 5 40 HJBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCCC2)cc1 33675670 QBTHCTPIFKTPNY-UHFFFAOYSA-N 421.316 4.708 5 40 HJBB CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1 72229140 GZCOIPAYLOKGSE-UHFFFAOYSA-N 417.893 4.635 5 40 HJBB Cc1ccc(S[C@H](C)C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 4174590 DSLFYXGWCPWXQW-GFCCVEGCSA-N 400.485 4.541 5 40 HJBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 8411645 PIKJMKYIRNZROL-UHFFFAOYSA-N 421.497 4.693 5 40 HJBB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 12980522 LJKIEIZAFSIGTB-UHFFFAOYSA-N 403.847 4.844 5 40 HJBB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)cc1 12987352 KUFNGYSQLGEXRC-FQEVSTJZSA-N 411.502 4.776 5 40 HJBB O=Cc1ccc(Sc2nnc(-c3ccccc3O)n2-c2ccccc2)c([N+](=O)[O-])c1 408608461 WKIHVFIGHBXFKB-UHFFFAOYSA-N 418.434 4.512 5 40 HJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 2424847 PSQMNPGIZQLAGO-OAHLLOKOSA-N 413.481 4.572 5 40 HJBB Cc1cccc(-c2noc(CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)n2)c1 4958764 GMHSRUGAOVXRDG-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB Cc1c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 12927060 ICQKHXMSDWNONN-JOCHJYFZSA-N 407.495 4.551 5 40 HJBB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 58407165 PKWFIJSHJNHIJG-ZDUSSCGKSA-N 406.467 4.795 5 40 HJBB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 408621949 NIWQVVHKJITIPZ-UHFFFAOYSA-N 401.378 4.846 5 40 HJBB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 5500385 QWIGNKJRCORAAH-UHFFFAOYSA-N 404.879 4.731 5 40 HJBB CC(=O)Nc1nc(CSc2nc3ccccc3c3nc4ccccc4n23)cs1 36882576 UEMXTRBDXSKJLR-UHFFFAOYSA-N 405.508 4.743 5 40 HJBB O=C1OCCN1c1cccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 71810948 JVFGCWHFNCJZFF-UHFFFAOYSA-N 401.728 4.967 5 40 HJBB CCOc1ccc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2c1 79024345 BNWHJVFKOFEDKN-UHFFFAOYSA-N 422.260 4.618 5 40 HJBB O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 84393496 PBKWUTLBCJRWMT-DOTOQJQBSA-N 400.793 4.933 5 40 HJBB COc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)c1 101192169 WRJSIJFCSTWUNJ-UHFFFAOYSA-N 416.389 4.629 5 40 HJBB O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 409181808 FJPNUSPINYPISB-UHFFFAOYSA-N 404.422 4.646 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)c(C)c1 4176143 YXOGSZSKVRHRDB-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB COc1ccc(/C=C/C(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 4949004 UJQAJYCUPUXANJ-AWNIVKPZSA-N 409.467 4.922 5 40 HJBB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c12 38166197 YPOSLJZEDVYPSY-ZDLGFXPLSA-N 407.451 4.875 5 40 HJBB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl 3256730 LNLKQKIYJGLZGV-UHFFFAOYSA-N 424.866 4.783 5 40 HJBB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 4702423 DUJLSRWDPHXVMR-OQLLNIDSSA-N 408.357 4.850 5 40 HJBB CCN(CC)c1cc(Nc2ccc(C)c(Br)c2)c([N+](=O)[O-])c2nonc12 9234243 WBWAEGPQUMFWSK-UHFFFAOYSA-N 420.267 4.792 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(F)cc3)c2ncn1C1CCCCC1 2421099 QVXCODVJGQSAGG-UHFFFAOYSA-N 413.456 4.928 5 40 HJBB Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(C(F)(F)F)cc(=O)oc12 11865515 OARDVLLTTGIVOI-UHFFFAOYSA-N 410.260 4.729 5 40 HJBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142808 HCWPJJNRXYYPLU-UHFFFAOYSA-N 421.453 4.590 5 40 HJBB C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1cccs1 16822020 FRAWVFUKKQQHJJ-CQSZACIVSA-N 418.547 4.894 5 40 HJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 226768129 VDJIXHNAEWHPRP-UHFFFAOYSA-N 404.378 4.593 5 40 HJBB O=C(NCCSCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 408563025 HSRIQHFQUKPXDH-UHFFFAOYSA-N 403.262 4.704 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)c(C)c1 4176135 XTLGBMZTHVRIAZ-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C(F)(F)F 9465084 JPKXRQALNQDBRP-UHFFFAOYSA-N 415.176 4.721 5 40 HJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 12973215 VFYGWLTTWQKYOE-GFCCVEGCSA-N 401.875 4.878 5 40 HJBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] 21124297 KTAIJUXDNGJORG-UHFFFAOYSA-N 417.761 4.677 5 40 HJBB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 6043966 DHSWSRYFBKUASW-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 6225549 COPRMKQSHRSSRO-UHFFFAOYSA-N 415.453 4.760 5 40 HJBB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 8344199 XKBHBKXGPOAIHJ-INIZCTEOSA-N 416.437 4.723 5 40 HJBB CCSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(O)CCCC1=N2 102670375 YQBILMPFNBXHQI-OAHLLOKOSA-N 405.867 4.623 5 40 HJBB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 106739184 XONWPPYBWAIMPH-YVLHZVERSA-N 418.858 4.883 5 40 HJBB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 4146395 ZDOXYUBNQFOOIM-QFIPXVFZSA-N 414.396 4.874 5 40 HJBB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 222630241 FJYFHGHKGHNWOV-GBLZOACLSA-N 406.467 4.839 5 40 HJBB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc([N+](=O)[O-])c1 224879004 ORXAUTDTVNWFKV-UHFFFAOYSA-N 416.231 4.584 5 40 HJBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408624933 VZQXWPZJMOBCKF-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB CC(C)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408749150 DVDVGJNHHOPMIL-UHFFFAOYSA-N 413.480 4.753 5 40 HJBB COc1ccc(CCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408909676 HQXHJEWQUUDCOX-HAVVHWLPSA-N 402.450 4.503 5 40 HJBB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 5570845 QXORBRSJPDPDGO-UHFFFAOYSA-N 405.454 4.943 5 40 HJBB COc1ccc([C@H]2CCCCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 58427019 SFDBTZUYYCRSHT-JOCHJYFZSA-N 407.470 4.702 5 40 HJBB C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2ccccc2s1 84638461 ZKPDDZDXWYDSMW-HNNXBMFYSA-N 424.526 4.728 5 40 HJBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225564835 PMWMOWVVXNPFPT-KRWDZBQOSA-N 412.486 4.767 5 40 HJBB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2c1 4994016 YFMURGAHXIPUOB-UHFFFAOYSA-N 408.439 4.591 5 40 HJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5576784 UEXIVPKUBVSPOF-CVDCTZTESA-N 415.405 4.566 5 40 HJBB C[C@@H]1Cn2cc(-c3ccc([N+](=O)[O-])cc3)[n+](-c3cccc(C(F)(F)F)c3)c2S1 6714101 WCEZBQQAIILLHU-GFCCVEGCSA-N 406.409 4.853 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc12 10010654 KSLJFXOLOQXMDS-UHFFFAOYSA-N 415.471 4.528 5 40 HJBB COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(-c4ccc(C)cc4)nc3oc2c1 2353471 GWSPMPQFYSIWHN-UHFFFAOYSA-N 424.456 4.535 5 40 HJBB Cc1ccc(C2=NN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 8428004 BTRCTIQHGRTACB-LJQANCHMSA-N 419.437 4.561 5 40 HJBB C[C@H](OC(=O)/C=C/c1c(F)cccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12918776 FZRLPHZLSLMQTD-USKTWTLRSA-N 417.780 4.755 5 40 HJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2nc3ccccc3nc12 15879706 JWOZHSZLBYVGSJ-UHFFFAOYSA-N 423.226 4.706 5 40 HJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 84019858 AZYSOCAUBVVILN-UHFFFAOYSA-N 411.723 4.881 5 40 HJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 4676726 ZYXXWIZGKOGYQC-UHFFFAOYSA-N 405.888 4.898 5 40 HJBB Cc1cccc(-c2noc(CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(C)C)n2)c1 7759757 NECRTGCNPNWGQR-UHFFFAOYSA-N 414.849 4.657 5 40 HJBB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 9379851 ADUWCUMYCYRKRH-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB O=C(c1cc(N[C@H]2CCCC[C@H]2OC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 95444760 DTNPJAWCWQOXGV-PZJWPPBQSA-N 401.507 4.513 5 40 HJBB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1911519 RUEYHZHAXRNXTI-UHFFFAOYSA-N 413.455 4.525 5 40 HJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 20410807 ZNCMYWQOPHYHCF-UHFFFAOYSA-N 417.874 4.552 5 40 HJBB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408560962 GDOHCOKWPNRPOF-QOCHGBHMSA-N 419.865 4.987 5 40 HJBB CCOC(=O)/C=C(/C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1cc2ccccc2[nH]1 38597020 MFPYJSYTPCQIPY-LHTZNZITSA-N 418.453 4.694 5 40 HJBB O=[N+]([O-])c1ccc(N2N=C(c3cccc(O)c3)C[C@@H]2c2ccnn2C2CCCC2)cc1 71785166 YSNHIWXFFVKYGI-HSZRJFAPSA-N 417.469 4.968 5 40 HJBB CC1CC[N+](C)(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070253 ZFYXCSGXODNUIZ-QHMKHHNBSA-N 420.658 4.914 5 40 HJBB O=c1oc2ccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)cc2c2ccccc12 1717023 VICGFCOICVDWNK-UHFFFAOYSA-N 417.420 4.764 5 40 HJBB Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cccc1[N+](=O)[O-] 4079080 UHVNUYLSLGOTJW-UHFFFAOYSA-N 409.254 4.981 5 40 HJBB Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(CC(C)C)c1C 8135919 MOHIIASHTLYNHU-CYBMUJFWSA-N 410.927 4.837 5 40 HJBB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCCC2)cc1 27795386 JTNXXSQXROTVLA-OAQYLSRUSA-N 415.921 4.904 5 40 HJBB C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2c1 32777376 SFFQAHBHSJYFQT-CYBMUJFWSA-N 407.451 4.859 5 40 HJBB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1C 103005084 QIETZIIQNCFQKQ-XSFVSMFZSA-N 413.433 4.852 5 40 HJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1c(Cl)cccc1Cl 4672903 SIFUHFRYYFFFEF-RMKNXTFCSA-N 411.310 4.964 5 40 HJBB O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2SC[C@@H]1c1ccccc1 6840994 QVMLXDFEEBZWAG-LJQANCHMSA-N 406.463 4.854 5 40 HJBB CCCCOc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 10010573 QTQFLIGRJBIUFW-UHFFFAOYSA-N 401.444 4.644 5 40 HJBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(C(F)(F)F)cc1 12521523 QXTBSEZBNOSZPN-UHFFFAOYSA-N 412.367 4.718 5 40 HJBB CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 18951572 OYVSTWBYQFVQOD-UHFFFAOYSA-N 418.547 4.848 5 40 HJBB COc1cc(C(=O)Nc2cccc(-c3nccs3)c2)c([N+](=O)[O-])cc1OC(F)F 40150692 VSSMBIFEIMVIQE-UHFFFAOYSA-N 421.381 4.581 5 40 HJBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860170 WILMSAANCKSAFH-UHFFFAOYSA-N 405.454 4.992 5 40 HJBB COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 408923863 HLRJHDAAWDZWIV-XSFVSMFZSA-N 404.422 4.791 5 40 HJBB COc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 3439618 VWOXBLYZMMPGJJ-UHFFFAOYSA-N 419.462 4.595 5 40 HJBB COc1ccc(SCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 10217946 VRNLXNONLVDHFH-UHFFFAOYSA-N 403.485 4.724 5 40 HJBB CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] 13786085 UPLODQWJFKBBKR-MHORFTMASA-N 424.284 4.696 5 40 HJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](CC)C2 1088406 SYDWONUKSYFJFG-ZDUSSCGKSA-N 416.499 4.909 5 40 HJBB COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 32815723 GOCNLODUKFGMHB-UHFFFAOYSA-N 401.271 4.782 5 40 HJBB CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408570639 LQYOLBMMRSNATH-SFHVURJKSA-N 400.529 4.716 5 40 HJBB C[C@@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl 5187375 YXKXKLAOJRECJX-OAHLLOKOSA-N 402.878 4.980 5 40 HJBB O=C(/N=c1\scc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1)c1ccccc1 16711334 NZLVFUNGZRBQJG-FCQUAONHSA-N 401.447 4.855 5 40 HJBB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)C1 35313212 QJZUABXQJNNFLX-ZIAGYGMSSA-N 422.579 4.989 5 40 HJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 657051 POEYHJYWVJVHBZ-BQYQJAHWSA-N 417.252 4.798 5 40 HJBB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 4340744 UDRCZHOQWFIZPC-UHFFFAOYSA-N 401.374 4.896 5 40 HJBB biogenic Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H](C)n3nc(C(F)F)cc3C)nc12 17089526 YJDALTBIRXIWGB-NSHDSACASA-N 413.457 4.556 5 40 HJBB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222847124 KNWLHMJNIGOBDG-WOJBJXKFSA-N 408.483 4.631 5 40 HJBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)cc1C 4224479 ZNVBAEPQXQWOMZ-UHFFFAOYSA-N 408.483 4.705 5 40 HJBB Cc1cccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)c1C 36618469 YBIGKOMSUQZCNI-UHFFFAOYSA-N 402.410 4.976 5 40 HJBB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 245267016 LEYCKGRFIBDZLN-GMAHTHKFSA-N 401.422 4.846 5 40 HJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 408577396 ZFFGMFMNEXMCKV-GOSISDBHSA-N 418.906 4.738 5 40 HJBB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9589127 FTWRCASTKONFHI-JTQLQIEISA-N 422.388 4.676 5 40 HJBB CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br 12137646 MUCWDZYKQUPFLH-UHFFFAOYSA-N 423.263 4.797 5 40 HJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222892580 XVDZCKWRMIQGHU-VQTJNVASSA-N 408.483 4.632 5 40 HJBB Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C 408980011 PKJZZXIHNKMBTM-OAQYLSRUSA-N 417.465 4.712 5 40 HJBB O=c1nc(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]c2ccccc12 409253789 CBWFIPGTWYXUDM-UHFFFAOYSA-N 412.199 4.521 5 40 HJBB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C 2407106 XQGFMHKOSBNPFZ-UHFFFAOYSA-N 403.442 4.709 5 40 HJBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C12CC3CC(CC(C3)C1)C2 6328493 MNBSQAVBZXEYDS-NXTQRVMMSA-N 411.546 4.920 5 40 HJBB O=C(CCc1cccs1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12601129 YNZNGERHPXLVQT-UHFFFAOYSA-N 402.453 4.654 5 40 HJBB C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2ccccc2s1 84638462 ZKPDDZDXWYDSMW-OAHLLOKOSA-N 424.526 4.728 5 40 HJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2408957 RILOJFCDWBZWPI-CQSZACIVSA-N 417.900 4.967 5 40 HJBB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 13692155 XXZPBJJBNOHIJM-UHFFFAOYSA-N 419.393 4.678 5 40 HJBB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222946077 JHUCRRAJCDTGSL-LEWJYISDSA-N 422.510 4.878 5 40 HJBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408571525 OVAHWZDRFFMWHI-OAHLLOKOSA-N 419.275 4.746 5 40 HJBB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 17207421 JEQZOODEKGFOJA-JOCHJYFZSA-N 414.396 4.874 5 40 HJBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 20141062 VKTGRFUMWMMDQE-UHFFFAOYSA-N 407.209 4.906 5 40 HJBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 409178067 INFMMRHDQWBQNX-OAQYLSRUSA-N 420.377 4.592 5 40 HJBB Cc1c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cccc1[N+](=O)[O-] 4079149 CTAXGHGHYHPUHJ-UHFFFAOYSA-N 414.874 4.741 5 40 HJBB COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(Cc1ccc(O)cc1)CC2 4273407 ISWWMWNKTBYUCP-DXDQHDRFSA-O 420.529 4.602 5 40 HJBB CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408569106 IVXPRFDLYIYXQC-GOSISDBHSA-N 400.529 4.716 5 40 HJBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 2638019 HQYVPOYVHAYNDK-UHFFFAOYSA-N 423.808 4.519 5 40 HJBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5033353 ZRXRERXPDXXFFM-UHFFFAOYSA-N 401.762 4.977 5 40 HJBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 6870260 KRUOGZCPAYJRJE-UHFFFAOYSA-N 421.497 4.774 5 40 HJBB O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[N+](=O)[O-])cc1 100496497 BIXUGWZEISANFP-UHFFFAOYSA-N 408.370 4.618 5 40 HJBB O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 409226424 NULKKVQPBKRIFL-WJDWOHSUSA-N 409.785 4.606 5 40 HJBB O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 582571862 BTNDNIRMCPRPPS-UHFFFAOYSA-N 419.372 4.564 5 40 HJBB O=[N+]([O-])c1cc2c(c(COc3ccc4ccccc4c3Br)c1)OCOC2 3524823 ACOBTSUEOMWVIZ-UHFFFAOYSA-N 416.227 4.956 5 40 HJBB CCOc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 9009253 WGNISLQVZXEGEG-UHFFFAOYSA-N 400.826 4.506 5 40 HJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2424948 VDMJSDPVLRTUJW-UHFFFAOYSA-N 417.900 4.983 5 40 HJBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)cc2[N+](=O)[O-])C1 12660898 FURGVFSGEISKMF-LBPRGKRZSA-N 422.890 4.586 5 40 HJBB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 14792828 XLUJIQWWASRQOH-CQSZACIVSA-N 423.856 4.992 5 40 HJBB COc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)c1 824708 CBNHXNIIKTVCLM-UHFFFAOYSA-N 403.394 4.972 5 40 HJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)N2CCc3ccccc32)cc1 6537501 WDBGAAVUWLOMCU-MRXNPFEDSA-N 418.449 4.627 5 40 HJBB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] 32815074 FZKDUBKKHBPCFZ-QGZVFWFLSA-N 422.268 4.535 5 40 HJBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(Br)c1O 6639603 YFTGBJGSPDNASJ-FNORWQNLSA-N 401.216 4.790 5 40 HJBB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 6831247 PEFHCUQWUSPKBY-LBPRGKRZSA-N 415.500 4.618 5 40 HJBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(Cl)ccc1[N+](=O)[O-] 10985945 IFVHAPGLAUVKAG-UHFFFAOYSA-N 402.863 4.710 5 40 HJBB CCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 57315874 DWZARAGZEFTZQB-UHFFFAOYSA-N 424.501 4.822 5 40 HJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1OC 224579400 AVJAVUSCNWAZFO-UHFFFAOYSA-N 422.437 4.833 5 40 HJBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCC2)c(C(C)(C)C)c1 226071441 HIBWYXTYGFLTIS-QFIPXVFZSA-N 412.594 4.933 5 40 HJBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(F)c3)c2ncn1C1CCCCC1 2302489 HOPUXHVBLOWACG-UHFFFAOYSA-N 413.456 4.928 5 40 HJBB O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6225153 SEOXXEWDSJGVDB-UHFFFAOYSA-N 401.831 4.635 5 40 HJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCC(C)C)cc3)nc12 10010644 GUYWWDIKVCDOPP-UHFFFAOYSA-N 401.444 4.500 5 40 HJBB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14792924 UCOWKRRTDFZZSQ-IAOULYHDSA-N 415.449 4.738 5 40 HJBB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1C 106722146 UYPPFUGZIKJDJR-ODLFYWEKSA-N 407.451 4.631 5 40 HJBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409212889 RZEGOCUKYIFKAV-FRKPEAEDSA-N 420.830 4.506 5 40 HJBB Cc1noc(/C=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] 106506885 OUSLQFPFNVRQSI-VURMDHGXSA-N 412.314 4.670 5 40 HJBB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 409055180 WYEHWUQUNVFOEM-UHFFFAOYSA-N 415.858 4.731 5 40 HJBB Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[C@H](C)c1ccccc1 2324038 USQDVZCVNXWBHM-GOSISDBHSA-N 421.500 4.833 5 40 HJBB Cc1cc(C)cc(-n2c(-c3cccs3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2354673 TYOSXOQNCVVVEN-UHFFFAOYSA-N 413.502 4.583 5 40 HJBB CC1CCN(c2ccc(C(=O)Nc3cccc(Br)c3)cc2[N+](=O)[O-])CC1 6417460 BLEYSLLYBUGYKO-UHFFFAOYSA-N 418.291 4.846 5 40 HJBB COc1ccc(OC)c2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12 2723959 PEGOUHYVDYSLEY-UHFFFAOYSA-N 415.452 4.689 5 40 HJBB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 4146394 ZDOXYUBNQFOOIM-JOCHJYFZSA-N 414.396 4.874 5 40 HJBB Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)cc1 4430185 VAGFAPXADCXDIN-UHFFFAOYSA-N 404.378 4.582 5 40 HJBB CC(C)OC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 6250438 PJRYCXBHIBYUIP-CYBMUJFWSA-N 416.499 4.528 5 40 HJBB COc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 34990118 WEVQXMXYWHILJA-UHFFFAOYSA-N 416.069 4.741 5 40 HJBB CCOc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408571350 OLPMGUYZKPUYJA-FQEVSTJZSA-N 412.515 4.701 5 40 HJBB 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C[C@@H]1CCCN(c2ccc(C(=O)OCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 6248257 ADWHVXASXSBOKI-CQSZACIVSA-N 411.483 4.798 5 40 HJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 9357120 UGRXOKPERPYEHQ-UHFFFAOYSA-N 413.433 4.592 5 40 HJBB Cc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3C(F)(F)F)ccc12 11692222 ZGAPKYPAYXJBMH-UHFFFAOYSA-N 410.260 4.729 5 40 HJBB Cc1c(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] 12734090 DRVKNLTZHXNQQU-HXUWFJFHSA-N 414.465 4.504 5 40 HJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(c2ccccc2F)CC1 5897313 JJQUQDHUZOVBJO-UHFFFAOYSA-N 403.763 4.733 5 40 HJBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1F 6586663 SBXAQKPYUFIEPW-UHFFFAOYSA-N 407.810 4.772 5 40 HJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1C 107737836 KGXWRKPEOLMBNQ-UHFFFAOYSA-N 409.467 4.907 5 40 HJBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 408974759 DLQGMTSGKLSCAE-UHFFFAOYSA-N 424.529 4.960 5 40 HJBB 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COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2c1 409182301 KGUXAQKYGJDKMP-UHFFFAOYSA-N 402.366 4.789 5 40 HJBB O=C(COc1ccc2ccccc2c1Br)Nc1cc([N+](=O)[O-])ccc1F 8952022 RJPCYUROQUOOSQ-UHFFFAOYSA-N 419.206 4.667 5 40 HJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl 17091650 SWRQQMYWIBQGIW-UHFFFAOYSA-N 418.689 4.990 5 40 HJBB Cc1c(O)ccc2c1oc1c(-c3cnn(C)c3)c3c(O)nn(C4CCCC4)c3nc12 79489501 WBFNRADZZVCALL-UHFFFAOYSA-N 403.442 4.566 5 40 HJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 409368025 LODOMOZLNGDUKF-NBJYBMASSA-N 420.852 4.643 5 40 HJBB