smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C(=O)O)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 13897074 CVGHJUYFIRTXJT-UHFFFAOYSA-N 445.387 3.654 5 50 IHBA O=C(O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13372517 OPDXPZMJGYBQNV-LIKPIUCQSA-N 440.411 3.690 5 50 IHBA C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 8398229 LAZHKSOHKBKOTO-KRWDZBQOSA-N 439.493 3.668 5 50 IHBA Cc1c(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] 169621121 IZNKSVQXZOAISE-QFIPXVFZSA-N 443.463 3.865 5 50 IHBA CCN(CC)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br 16115195 IBFDQJMIZIZXNS-QGOAFFKASA-N 446.301 3.997 5 50 IHBA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746178 SIZOTOHXQDHLSZ-UHFFFAOYSA-N 437.466 3.755 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 8816205 KMTSUFVGHSSFCI-UHFFFAOYSA-N 442.409 3.556 5 50 IHBA Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CCCN(C(=O)C3CC4(C3)CC(C)(C)C4)C2)C1 1875336887 ORBVGTUHCQGLPZ-ROUUACIJSA-N 443.592 4.000 5 50 IHBA COc1cccc(OC)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12861203 OZCAQABEUWSWCF-UHFFFAOYSA-N 439.390 3.593 5 50 IHBA CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O 9361140 QIOZFLAOXUPHSQ-KRWDZBQOSA-N 432.358 3.611 5 50 IHBA COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 9971420 CEHBBISKWKWUDZ-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1cccc(Nc2nc(Nc3cccc(OC)c3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])c1 16663603 OSVROKOZMPBPFS-UHFFFAOYSA-N 426.389 3.985 5 50 IHBA Cc1ccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)cc1[N+](=O)[O-] 2332239104 WVEKBOJCRAIGTO-JGNXPCGYSA-N 449.573 3.814 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 3876380 NNZKSDCLPKCBCU-UHFFFAOYSA-N 432.845 3.696 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 16225283 WFKRPCJOKGYYJH-UHFFFAOYSA-N 443.525 3.797 5 50 IHBA COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)N2CCCCC2)c1C 16447442 CHRCSDXTSXCWJV-UHFFFAOYSA-N 445.497 3.938 5 50 IHBA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 245242243 PPRKBCRKRWLLLW-MBZVMHRFSA-N 430.420 3.847 5 50 IHBA O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 20601946 KSHUWIFCGDHWOF-UHFFFAOYSA-N 431.492 3.907 5 50 IHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C(=O)N(C)C)c1C 1114433 HXMKMCNUQRCIIM-UHFFFAOYSA-N 439.877 3.749 5 50 IHBA CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CCn5cc([N+](=O)[O-])cn5)nc4c23)C1 2798778 IYKWNWBESHMNRH-GFCCVEGCSA-N 425.518 3.837 5 50 IHBA O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1C[C@@H]1CCCO1 8834549 PJEAIUUJQWTGQJ-SFHVURJKSA-N 425.492 3.716 5 50 IHBA Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)cc1I 1119753 CQJNVQCZKJXRNJ-UHFFFAOYSA-N 426.210 3.834 5 50 IHBA Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2078938 JYGZHOOOEMHBLK-UHFFFAOYSA-N 448.431 3.851 5 50 IHBA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 226894954 SAVQKEGHSNRNBW-URXFXBBRSA-N 442.431 3.952 5 50 IHBA O=[N+]([O-])c1ccc(N2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1N1CCC2(CCOC2)CC1 811841926 UWWMAFATFVORKB-UHFFFAOYSA-N 446.504 3.517 5 50 IHBA Cc1ccc(-n2[nH]c(C(=O)N[C@H](c3cccc([N+](=O)[O-])c3)C(F)(F)F)cc2=O)cc1C 1875328464 TUPXSWKHJGNEKC-GOSISDBHSA-N 434.374 3.724 5 50 IHBA Cc1nn(Cc2cccc(C(=O)Nc3sc(C(C)C)cc3C(N)=O)c2)c(C)c1[N+](=O)[O-] 2735486 NPEOGBSOQKVVJB-UHFFFAOYSA-N 441.513 3.993 5 50 IHBA CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)n1 40398943 IHWDYNCUOJFDTK-UHFFFAOYSA-N 444.520 3.537 5 50 IHBA COc1cc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 1122253 URCMOIZXSVZDFC-SFHVURJKSA-N 446.847 3.532 5 50 IHBA C[C@@H](CC(=O)N1CCC[S@@](=O)(=NC(=O)c2csc([N+](=O)[O-])c2)CC1)c1ccccc1 2332238176 CUZLVFYLSWNTFD-JGVYIQDASA-N 449.554 3.691 5 50 IHBA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 12379296 LYKXTEHLYCUBDG-ZQFKLAOWSA-N 438.439 3.735 5 50 IHBA biogenic Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 328594261 KTKJNCUFTMJBLF-UHFFFAOYSA-N 446.312 3.847 5 50 IHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 990269 WIUZEHYPMUNHSL-UHFFFAOYSA-N 439.493 3.898 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 678167 MWFPOXVDXLLJJA-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA O=C1OCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(Br)c1 1427981 NOFLWURGKFQSBN-OAHLLOKOSA-N 429.226 3.689 5 50 IHBA O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 3005378 ZSUKFFGZWOIAHD-UHFFFAOYSA-N 449.257 3.892 5 50 IHBA O=C(OC[C@]12CC[C@@]1(COC(=O)c1ccc([N+](=O)[O-])cc1)C2)c1ccc([N+](=O)[O-])cc1 45070026 JHYRZAPTWAJSDK-OYRHEFFESA-N 426.381 3.687 5 50 IHBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@@H](C(=O)OC)CC2 1744163 RZGTVJJGISNFDP-VIFPVBQESA-N 438.845 3.551 5 50 IHBA O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 9601705 PLOANUSIGVJGRQ-UHFFFAOYSA-N 445.317 3.894 5 50 IHBA O=C1[C@H](Oc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Br)N1C[C@H]1CCCO1 247350221 VYQQJIMWPYKOMF-ATZDWAIDSA-N 447.285 3.867 5 50 IHBA Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C(N)=O 2134760 FFXGZUNYXCFGBL-UHFFFAOYSA-N 425.466 3.672 5 50 IHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2683896 IGKBRTLMJNWJOP-UHFFFAOYSA-N 446.510 3.631 5 50 IHBA Cc1cccc(N2C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C(=O)N=C2O)c1 230005824 MKCXUVDFACBFDR-GBXCKJPGSA-N 448.479 3.682 5 50 IHBA Cc1cc(C)c(OCC(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])c1 1166386 PTAXCYFGXZYFRV-UHFFFAOYSA-N 426.210 3.834 5 50 IHBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc([N+](=O)[O-])c1 2942729 YQMXTKIPEXKCSO-UHFFFAOYSA-N 436.420 3.563 5 50 IHBA CC(C)(C)C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878112 JDWHYUXNXLFGCZ-SNVBAGLBSA-N 427.741 3.740 5 50 IHBA CCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100642838 IOJPLNQZCAMANZ-QGZVFWFLSA-N 429.524 3.728 5 50 IHBA CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 2885026 NSOYPUQDMQKYDB-UHFFFAOYSA-N 436.877 3.732 5 50 IHBA C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6269057 WDTVKWWTTCGXOJ-OAHLLOKOSA-N 425.466 3.887 5 50 IHBA COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323140 JMJHTSRWMQZXEB-JXFKEZNVSA-N 425.485 3.702 5 50 IHBA CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1F 253420514 JZIPQRMUKIUPTJ-UHFFFAOYSA-N 444.644 3.861 5 50 IHBA O=C(N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccco1 1232117 IEQPDLAAHDKKBD-GFCCVEGCSA-N 437.692 3.601 5 50 IHBA CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 2874430 VESCVUVHZFDYFX-UHFFFAOYSA-N 443.460 3.502 5 50 IHBA NC(=O)c1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCCC2 8997240 PLHSHBCEDURTMX-UHFFFAOYSA-N 428.514 3.877 5 50 IHBA C[C@H](CO)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 225606743 LSVLFQFREFZWBT-PIGZYNQJSA-N 443.319 3.542 5 50 IHBA Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 2835509 UBTZLKHFDCPLNC-UHFFFAOYSA-N 448.302 3.884 5 50 IHBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 8836027 DANBXVKTTLHGQF-LJQANCHMSA-N 444.919 3.802 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 16491400 DRWKQSWHOKTEDM-UHFFFAOYSA-N 447.419 3.707 5 50 IHBA CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)nn23)c1C 17094616 RESPMGDFRWXJFE-UHFFFAOYSA-N 425.836 3.735 5 50 IHBA COc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)c(COC(C)=O)c32)cc1 19338959 OHPDFVWZEGRVPM-VAWYXSNFSA-N 425.441 3.848 5 50 IHBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19800424 XTCSWBQOYCSKGZ-UHFFFAOYSA-N 437.521 3.691 5 50 IHBA CCn1ccnc1CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1C 241634643 PNZPFTSDERJYOE-GOSISDBHSA-N 433.512 3.753 5 50 IHBA CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 12650779 LXEZIBVVNNQTNQ-UHFFFAOYSA-N 432.285 3.551 5 50 IHBA COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4)cc3C2=O)c([N+](=O)[O-])c1 16193184 QMZONTDURYHDRL-UHFFFAOYSA-N 432.388 3.761 5 50 IHBA CCOc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OCC)c1OCC 16600922 WJSVVGVNRQYPFS-UHFFFAOYSA-N 443.500 3.753 5 50 IHBA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 227167256 IOSCYWBRIHXQPY-FDFHNCONSA-N 429.432 3.954 5 50 IHBA CC(C)N(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1061232 GIRNAJUAASTIMN-UHFFFAOYSA-N 436.877 3.898 5 50 IHBA CCOC(=O)c1nn(-c2ccccc2)c2cc([N+](=O)[O-])cc(S(=O)(=O)CC(C)C)c12 1072699 VWXDVZVENSHAPO-UHFFFAOYSA-N 431.470 3.540 5 50 IHBA COc1ccc(C(=O)Nc2ncc(Br)cc2Br)cc1[N+](=O)[O-] 821771 VSGLAJCQDSWECI-UHFFFAOYSA-N 431.040 3.776 5 50 IHBA COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1140914 RVBZKZTUMPBRPM-UHFFFAOYSA-N 442.855 3.961 5 50 IHBA O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8997255 MPDJOWPJNWWJJM-UHFFFAOYSA-N 436.424 3.529 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19920507 BKWVSQYNMUWJTB-UHFFFAOYSA-N 431.492 3.907 5 50 IHBA COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)c1 227068353 KKWLEQOPCNKWOY-BHDDXSALSA-N 445.431 3.655 5 50 IHBA CN(CCCc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1123979 NVFHLNKLYOLXCY-UHFFFAOYSA-N 436.877 3.552 5 50 IHBA O=C(Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)c1ccccc1[N+](=O)[O-] 6460232 HVPBSMQVUPCCMN-DEDYPNTBSA-N 443.440 3.584 5 50 IHBA C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 8398233 LAZHKSOHKBKOTO-QGZVFWFLSA-N 439.493 3.668 5 50 IHBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1188583 DAMNVJOBJCXKHJ-OAQYLSRUSA-N 447.451 3.639 5 50 IHBA O=C(Oc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1)c1cccc([N+](=O)[O-])c1 2979314 CKTBLNYLALEPRF-KRWDZBQOSA-N 445.431 3.806 5 50 IHBA CC(C)CC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2667007 FQNSMNBIQKQIRH-LBPRGKRZSA-N 427.741 3.740 5 50 IHBA CCc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 669887 ZCBXQODJZYCUCL-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(Cl)c1 9971639 OTAURTYLVSIYOP-UHFFFAOYSA-N 435.933 3.638 5 50 IHBA O=C(Cc1ccccc1)N[C@@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3018972 MQZULCAYPYRPHZ-HNNXBMFYSA-N 448.646 3.937 5 50 IHBA CCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3878020 DXIZSAGAFMRLOK-LBPRGKRZSA-N 443.740 3.502 5 50 IHBA CCc1ccccc1N1C(=O)c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C1=O 8829827 VKOYSQJPCHQQTQ-UHFFFAOYSA-N 431.448 3.948 5 50 IHBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1 9553754 KDSLHSIESFHIOO-ZDUSSCGKSA-N 429.420 3.513 5 50 IHBA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1157144 NYZFKYJSKXSTNI-UHFFFAOYSA-N 443.456 3.564 5 50 IHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1 20228469 GCRQUAWDDYOOIJ-UHFFFAOYSA-N 436.350 3.906 5 50 IHBA CCc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1137441 SLUFSVQINUCMQR-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13946273 NDEBXXZRVRBKHP-UHFFFAOYSA-N 445.435 3.887 5 50 IHBA Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 9591753 FOWLIEXOXJAWKX-CQSZACIVSA-N 433.258 3.762 5 50 IHBA O=c1c2cc3c(=O)n(Cc4ccc5c(c4)OCO5)ccc3nc2ccn1Cc1ccccc1 40398770 FUYPWJPUFCBQNF-UHFFFAOYSA-N 437.455 3.537 5 50 IHBA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2I)c([N+](=O)[O-])c1 2745742 QNRZINNQVWVVCS-NSHDSACASA-N 426.210 3.914 5 50 IHBA O=C(N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccco1 1232116 IEQPDLAAHDKKBD-LBPRGKRZSA-N 437.692 3.601 5 50 IHBA COc1ccc(NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)cc2)cc1 2762689 MRRXZIBVMYTCJF-UHFFFAOYSA-N 431.246 3.863 5 50 IHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 2843890 QJCBMGARXBCPNZ-MDZDMXLPSA-N 436.449 3.967 5 50 IHBA O=C(NCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-])c1cccc(Br)c1 9720451 VLXIQGPFOSNRFR-UHFFFAOYSA-N 433.306 3.799 5 50 IHBA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C(N)=O)C1 2884330 LIGHJGLLAHJAAW-GFCCVEGCSA-N 431.514 3.924 5 50 IHBA Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1 245327750 QCMIGTMWYPLPKM-BHIFYINESA-N 429.432 3.954 5 50 IHBA CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1136768 ZNMBGKWPWVNXHV-UHFFFAOYSA-N 439.449 3.638 5 50 IHBA O=C(O)c1cc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)ccc1Cl 2190188 FYKLVQSKUKJYBJ-UHFFFAOYSA-N 441.739 3.808 5 50 IHBA C[C@H](OC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)C(=O)c1ccccc1 971824 WDMXHGVDKRXSPQ-AWEZNQCLSA-N 444.399 3.824 5 50 IHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 1162283 YQMATACPJUCZBQ-UHFFFAOYSA-N 444.296 3.938 5 50 IHBA CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 1165202 VIOVTRKSJJCURR-UHFFFAOYSA-N 437.905 3.921 5 50 IHBA CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCOc2ccccc2)=C1C 2757453 HRYONXURNJUTGX-HXUWFJFHSA-N 425.441 3.577 5 50 IHBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C)cc1 9720483 YENXLBHLDOFNFN-AWEZNQCLSA-N 443.447 3.821 5 50 IHBA O=C(O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18044881 OPDXPZMJGYBQNV-JQBYJRRVSA-N 440.411 3.690 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 16225679 XPADRZZQFCWGOV-UHFFFAOYSA-N 431.514 3.629 5 50 IHBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1C 9305010 ZIYDYPCLXPNWTI-UHFFFAOYSA-N 427.486 3.921 5 50 IHBA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 16474235 ADDKBSAFKUJVMR-GFCCVEGCSA-N 428.514 3.733 5 50 IHBA CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 2325861974 DYBDUCVNJRJZPJ-LLVKDONJSA-N 436.394 3.815 5 50 IHBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccccc1)c1ccccc1 704477 UCHFXOFCJBTBPX-UHFFFAOYSA-N 447.399 3.674 5 50 IHBA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 2999289 BPFJHRRQFANRJG-MDZDMXLPSA-N 441.494 3.829 5 50 IHBA COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323137 JMJHTSRWMQZXEB-UZLBHIALSA-N 425.485 3.702 5 50 IHBA COc1ccc(-c2noc([C@H](NC(=O)COc3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 334161343 AIECEKWJZLFXHY-LJQANCHMSA-N 426.429 3.546 5 50 IHBA O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 9720898 BLBYJGFENBVAKY-UHFFFAOYSA-N 435.459 3.703 5 50 IHBA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 145672744 QNASOTMEVBTJTG-QFIPXVFZSA-N 426.494 3.828 5 50 IHBA CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 3000077 DKRMDLOSOZRPTL-PDGQHHTCSA-N 446.301 3.997 5 50 IHBA CCOc1cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC 1173056 KGZOELYTXWNQBP-UHFFFAOYSA-N 433.486 3.918 5 50 IHBA CCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3878019 DXIZSAGAFMRLOK-GFCCVEGCSA-N 443.740 3.502 5 50 IHBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 9434531 KRVUIARYEYZLRB-BJMVGYQFSA-N 429.498 3.667 5 50 IHBA CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9601354 SFLQEUFRZHYJRD-UHFFFAOYSA-N 427.486 3.824 5 50 IHBA CCCCN1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 101688500 JPFAGBAZQUWDQJ-GBESFXJTSA-N 429.860 3.895 5 50 IHBA COc1cc(/C=C2\N=C(S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 9295880 MLXKFIUMAOFQQT-NVNXTCNLSA-N 433.873 3.935 5 50 IHBA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 3833003 PAGBBAMQYMCUBN-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c([N+](=O)[O-])c1 8717307 GWGMETJWXTYZKU-UHFFFAOYSA-N 427.457 3.683 5 50 IHBA CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c1 12380259 PYNKCNVBBJEUFF-UHFFFAOYSA-N 439.449 3.851 5 50 IHBA CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8686734 ZBDXOXRGSAYHNM-UHFFFAOYSA-N 434.470 3.822 5 50 IHBA Cc1c(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c(=O)n(-c2ccccc2)n1C 1209661 PWFPUZUHHGXHQR-ATVHPVEESA-N 436.449 3.634 5 50 IHBA CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)cc2oc(=O)c3ccccc3c12 627674 ZKSQWJAJUIHRCI-KGLIPLIRSA-N 428.437 3.607 5 50 IHBA biogenic COc1ccc(N2O[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 244633239 FZKPBSNVJMQEFD-VSKRKVRLSA-N 445.431 3.655 5 50 IHBA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 647444 SMVDCVHDAOBADH-UHFFFAOYSA-N 437.287 3.907 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 101276389 UHCSVBBEXILQTG-QZTJIDSGSA-N 441.871 3.981 5 50 IHBA CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1 8666233 BHINKXRDEGYZGR-UHFFFAOYSA-N 434.905 3.919 5 50 IHBA aggregator CCOC(=O)c1ccccc1OC(=O)C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11859686 GELMORDCPXZOEE-SSEXGKCCSA-N 445.371 3.504 5 50 IHBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 1158097 QBDMPSQFKVZCQQ-INIZCTEOSA-N 438.843 3.958 5 50 IHBA Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C1=O 229925715 LYHURZVPPLFWJW-BHDDXSALSA-N 429.432 3.954 5 50 IHBA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 1150493 NELMJESBALFIGL-VWLOTQADSA-N 446.459 3.653 5 50 IHBA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 1106812 ILKJOHICZGDJGD-UHFFFAOYSA-N 435.477 3.696 5 50 IHBA CCc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 8398247 ZMJSTTVAZNXZOB-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 1057459 PVJATPJZUMDWET-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 1135636 MQBGIODPOHJTAH-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 847746 PWXHULCQSBEFNJ-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-] 8833779 UNEGLQOSQUNMSJ-UHFFFAOYSA-N 444.465 3.970 5 50 IHBA O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 15724041 MRHCWQMMSQMIGY-UHFFFAOYSA-N 434.418 3.575 5 50 IHBA COc1ccccc1NC(=O)Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 941409 RGLJXBRWUXEJMI-UHFFFAOYSA-N 436.449 3.681 5 50 IHBA COc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 16267610 UFOVZIODGJYWJD-UHFFFAOYSA-N 437.246 3.828 5 50 IHBA COc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c1 241231169 KSTAFQGVFYLWIS-UHFFFAOYSA-N 434.290 3.718 5 50 IHBA COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 1176935 XUGPEGSRLDOGCN-YVLHZVERSA-N 427.438 3.587 5 50 IHBA CCOC(=O)c1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 2795021 OCEOXLUIBDBVJC-DHZHZOJOSA-N 432.454 3.970 5 50 IHBA CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O 9361143 QIOZFLAOXUPHSQ-QGZVFWFLSA-N 432.358 3.611 5 50 IHBA COCCNc1oc(/C=C/c2cccc([N+](=O)[O-])c2)nc1S(=O)(=O)c1ccccc1 1857800069 BNXPOPZLGPSNCP-ZHACJKMWSA-N 429.454 3.644 5 50 IHBA CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1068645 QOCYYCPUPLNZTF-IBGZPJMESA-N 427.482 3.867 5 50 IHBA CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 1114588 ZJSMUTZSPZMIBI-ZHACJKMWSA-N 445.497 3.885 5 50 IHBA O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 229959323 BTYKVKZKPFZZEW-PWRODBHTSA-N 433.395 3.785 5 50 IHBA C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 253420049 ISPLYTRMMYPCFT-WFASDCNBSA-N 432.502 3.846 5 50 IHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@H](c2cc(F)c(Cl)cc2Cl)C1 1875389403 NHIZQLHSNQFCSU-KRWDZBQOSA-N 427.263 3.873 5 50 IHBA O=c1nc2ccc(Cl)cn2c2cc(Cl)c(S(=O)(=O)N3CCc4ccccc43)cc12 12377451 VQAIIOAZPWWELS-UHFFFAOYSA-N 446.315 3.906 5 50 IHBA COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@H]3C2=O)c1 229921892 OZVWQMZSXNUHBB-BHDDXSALSA-N 445.431 3.655 5 50 IHBA O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1126784 VZBNRUUKECHYCB-UHFFFAOYSA-N 432.274 3.848 5 50 IHBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 1171051 UJKGBCVOZVPJQY-UHFFFAOYSA-N 428.239 3.632 5 50 IHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 8442284 BNCWOJJQGYHFCO-UHFFFAOYSA-N 427.269 3.947 5 50 IHBA COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 16448761 MJNPFEXRFWVQRM-UHFFFAOYSA-N 430.424 3.558 5 50 IHBA O=C1NCCN(Cc2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccc(Br)cc1 2325861976 DYISUMOQJHOIRM-GOSISDBHSA-N 429.274 3.512 5 50 IHBA O=C(c1cc(F)c(F)cc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 8896062 DOPARRQGYGWTNX-UHFFFAOYSA-N 444.207 3.737 5 50 IHBA O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 1875265043 MQSMXTKISKAZMN-VWLOTQADSA-N 427.435 3.556 5 50 IHBA C[C@@H](CC(=O)N1CCC[S@](=O)(=NC(=O)c2csc([N+](=O)[O-])c2)CC1)c1ccccc1 2332238175 CUZLVFYLSWNTFD-INCQDFKNSA-N 449.554 3.691 5 50 IHBA Cc1cccc(-n2c(=O)c3ccc4c(=O)n(-c5cccc(C)c5)c(=O)c5ccc(c2=O)c3c45)c1 630733 XNXRCZLYDPHNBP-UHFFFAOYSA-N 446.462 3.661 5 50 IHBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N2C(=O)CCSC2=N1 2502910 HFSFOKYYYAENHW-HXUWFJFHSA-N 437.477 3.988 5 50 IHBA Cc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 8398245 XVGPQNJKRHLMGR-UHFFFAOYSA-N 425.466 3.737 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 9714697 KLEVGJHRDQCSOV-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)cc1I 2857017 OOUVBCCTUCRLNT-UHFFFAOYSA-N 426.210 3.834 5 50 IHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)cc1 2804511 BXHXDULWURARBM-UHFFFAOYSA-N 427.269 3.947 5 50 IHBA CN(C)C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 4583714 PTXSGHYXOKJNCM-VIFPVBQESA-N 449.147 3.502 5 50 IHBA O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc12 12377428 JJGYUAQKYBXODE-UHFFFAOYSA-N 425.897 3.643 5 50 IHBA CCOc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc(OCC)c1OCC 37089067 FRNPVFUHPPVMOV-UHFFFAOYSA-N 449.485 3.623 5 50 IHBA O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 8854752 VHIXEEGZVFKGCX-UHFFFAOYSA-N 448.445 3.965 5 50 IHBA CN1CCCC1=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 8439934 MTNBKDKDGTZQIS-UHFFFAOYSA-N 427.329 3.785 5 50 IHBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 9304990 MVNBZBLSRIWZSK-UHFFFAOYSA-N 427.486 3.921 5 50 IHBA Cc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754947 OJZVMQDRRUQCDT-OAQYLSRUSA-N 429.432 3.749 5 50 IHBA CN(CCCC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2862920 ZIHVDYPZCIOSPC-UHFFFAOYSA-N 431.514 3.513 5 50 IHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)c1ccc(Cl)cc1 9434619 YBIZSJGNQKXMIU-LBPRGKRZSA-N 430.313 3.801 5 50 IHBA O=C(COc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16448638 HYEIVRHMDPMDFQ-UHFFFAOYSA-N 443.809 3.995 5 50 IHBA COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1 2931296 MITCWUBYARXSAT-UHFFFAOYSA-N 447.403 3.665 5 50 IHBA O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 19643566 VNHQJMDRDIGDMU-HNNXBMFYSA-N 445.526 3.825 5 50 IHBA Cc1cccc(N2C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C(=O)N=C2O)c1 230005820 MKCXUVDFACBFDR-RDPSFJRHSA-N 448.479 3.682 5 50 IHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCN(C(=O)OCC)C2 2914646 LHQDABSDJCZPOP-UHFFFAOYSA-N 447.469 3.600 5 50 IHBA Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCCC3)c2=N)cc1 6190412 AFEAXIZISCNBEA-UHFFFAOYSA-N 448.548 3.775 5 50 IHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](CO)c1cccc(Cl)c1 170633616 SYSPORSMEUBUOX-SFHVURJKSA-N 439.921 3.568 5 50 IHBA COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CC[C@@H](C(C)(C)C)C2 12364852 IDPBUNLJUYFJQM-VXGBXAGGSA-N 434.518 3.990 5 50 IHBA CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 2902746 YLTHKGYVQVMGLG-UHFFFAOYSA-N 446.510 3.755 5 50 IHBA Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1 13839484 SYOVJIIAADCDQB-UHFFFAOYSA-N 429.483 3.738 5 50 IHBA Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1Br 10537289 SRXCQEXXKPNWBZ-UHFFFAOYSA-N 448.317 3.702 5 50 IHBA CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@H](C)C1 16192589 BBSNHTAYEHBSKS-CALCHBBNSA-N 427.567 3.511 5 50 IHBA C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H](C)N1Cc1ccccc1 1875316841 ISUSXGVHJQAQNL-DZFIZOCASA-N 439.512 3.928 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 13304906 GVDPNFPVNVEROF-UHFFFAOYSA-N 445.884 3.979 5 50 IHBA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 1112971 RSKCAROAAASNIX-GOSISDBHSA-N 441.440 3.545 5 50 IHBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Br)cn1 9288362 HPTASXXTACUYAF-UHFFFAOYSA-N 436.247 3.533 5 50 IHBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 1137168 GDHXHMUUJOIMPT-UHFFFAOYSA-N 443.456 3.876 5 50 IHBA CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158754 BJGKOHCSGWDGNZ-UTKZUKDTSA-N 445.855 3.957 5 50 IHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 9287729 OUEURLCXHDZUSM-UHFFFAOYSA-N 435.392 3.563 5 50 IHBA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 137587547 KQVZEZIPDVBIAL-BHDDXSALSA-N 429.432 3.954 5 50 IHBA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)ccc1[N+](=O)[O-] 1049184 FMWBKPRRYCBRES-UHFFFAOYSA-N 439.493 3.976 5 50 IHBA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1138929 ZXKYMZKZKIKZMF-UHFFFAOYSA-N 425.466 3.813 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl 8927109 PEIVIQFUEZBURT-UHFFFAOYSA-N 432.845 3.696 5 50 IHBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 16285962 AHLBUXGDSTUNNC-UHFFFAOYSA-N 430.892 3.949 5 50 IHBA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 145672962 QNASOTMEVBTJTG-JOCHJYFZSA-N 426.494 3.828 5 50 IHBA Cc1cc(NC(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)no1 845328 QCVGOZSJYQKCOC-UHFFFAOYSA-N 432.318 3.872 5 50 IHBA CCOC(=O)c1cnc2c(F)cc(F)cc2c1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 170600455 SXJYTPJZBTUIKC-UHFFFAOYSA-N 445.378 3.640 5 50 IHBA CCOc1ccc(C(=O)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2)cc1[N+](=O)[O-] 2865866 FPXPSFBWIBYODY-UHFFFAOYSA-N 438.469 3.974 5 50 IHBA Cc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 9058449 CDCVXHMSCMCEHC-UHFFFAOYSA-N 425.466 3.737 5 50 IHBA Cc1cnc(N2CCC([S@@](C)(=O)=NC(=O)c3nc(C(C)C)oc3C)CC2)c([N+](=O)[O-])c1 2332238536 BLKHBEUOUCARFO-WJOKGBTCSA-N 449.533 3.625 5 50 IHBA Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 715311 QAZTYRTVRYRCNT-OAQYLSRUSA-N 429.432 3.749 5 50 IHBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 715312 QAZTYRTVRYRCNT-NRFANRHFSA-N 429.432 3.749 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1196946 ZYAOUFIJUHAHOI-UHFFFAOYSA-N 437.905 3.984 5 50 IHBA O=C(Cc1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2847942 LLVFKARBAIITHU-UHFFFAOYSA-N 437.886 3.719 5 50 IHBA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 647083 LRZOKRVSLOFYJP-UHFFFAOYSA-N 437.287 3.907 5 50 IHBA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 975931 PHCDDYGCLRBCKK-QGZVFWFLSA-N 445.273 3.932 5 50 IHBA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 12379294 LYKXTEHLYCUBDG-FGEXJBCWSA-N 438.439 3.735 5 50 IHBA biogenic CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 225506657 YCMQTOCKQGZWOR-CZUORRHYSA-N 426.311 3.622 5 50 IHBA CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)NC(c2ccccc2)=C1C(=O)OCC 100748803 JWIDQHGRLKTFPU-FQEVSTJZSA-N 441.509 3.877 5 50 IHBA COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC 1151000 DOXOWIDBMNBFJC-UHFFFAOYSA-N 439.390 3.593 5 50 IHBA O=C(OCc1cn(CC(F)(F)c2ccccc2)nn1)c1cc2cccc([N+](=O)[O-])c2[nH]1 1875328431 RHOMUILFUHGTHI-UHFFFAOYSA-N 427.367 3.817 5 50 IHBA Cc1cc(C)c(NC(=O)[C@H]2CCCN2CCOC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3139322 WZVUHBCMBWTUKN-HXUWFJFHSA-N 425.485 3.780 5 50 IHBA COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(C)cc34)c(=O)oc12 1073091 LZGYKIGMHGJIFW-UHFFFAOYSA-N 435.436 3.780 5 50 IHBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccc(F)cc1 1154221 SMAZMDVEBHFRCL-UHFFFAOYSA-N 448.362 3.574 5 50 IHBA CCOC(=O)C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 10272025 BZSOTALZNLRZBR-KRWDZBQOSA-N 444.827 3.779 5 50 IHBA Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C3CCCC3)c2=N)cc1 100679655 QIKQDNLOFVFZDV-UHFFFAOYSA-N 448.548 3.693 5 50 IHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 867179 KRGGYUACLJJVSC-KRWDZBQOSA-N 432.889 3.688 5 50 IHBA Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1C 1078770 RUUQUPLEZJIMPJ-UHFFFAOYSA-N 427.486 3.650 5 50 IHBA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 8997659 POEXXOIFSBHGJL-UHFFFAOYSA-N 430.892 3.805 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 13896642 USTZPVGSALSHNK-UHFFFAOYSA-N 432.285 3.615 5 50 IHBA CCOC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=N)sc2c1CCC2 17095361 MKRRYPQOMARVRM-UHFFFAOYSA-N 427.438 3.800 5 50 IHBA CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CNc3ccccc3[N+](=O)[O-])cc2C1 170602551 QBAPCEPYSDUQQK-UHFFFAOYSA-N 426.473 3.574 5 50 IHBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 230054232 QHIVKBRVVQMSNR-LAUBAEHRSA-N 440.843 3.883 5 50 IHBA CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 71767556 CYGMSLOMUHAKJM-LJQANCHMSA-N 430.457 3.748 5 50 IHBA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 245328149 SJZVHCSHLUOAHU-BHIFYINESA-N 445.431 3.655 5 50 IHBA CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@@H](C)C2 845104 QIEPPWGIGUQEAL-SECBINFHSA-N 440.909 3.755 5 50 IHBA CN(C)C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 4583716 PTXSGHYXOKJNCM-SECBINFHSA-N 449.147 3.502 5 50 IHBA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCOc1ccccc1[N+](=O)[O-] 2868240 UVQHWNHZJDNFHA-UHFFFAOYSA-N 431.448 3.859 5 50 IHBA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 8435635 VKDGBSZGTHCTJW-UHFFFAOYSA-N 427.486 3.536 5 50 IHBA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)c([N+](=O)[O-])c1 15239889 JTVOHQQMYBDOQP-UHFFFAOYSA-N 431.404 3.965 5 50 IHBA C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N)c1ccccc1 16213734 JQHLCUIHVLWGLE-SFHVURJKSA-N 449.514 3.668 5 50 IHBA Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC4(C3)CC(C)(C)C4)C2)C1 1875336885 ORBVGTUHCQGLPZ-QZTJIDSGSA-N 443.592 4.000 5 50 IHBA CC1=CC(C)(C)NC(=S)N1c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 2176670 YTJIRCKVXDODHW-UHFFFAOYSA-N 433.511 3.739 5 50 IHBA CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2819127 UQPBVZPSRZBBSO-UHFFFAOYSA-N 430.486 3.859 5 50 IHBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 238950222 XFLYLUWAQGFVEE-YPAWHYETSA-N 429.432 3.954 5 50 IHBA Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3[nH]c2=O)c1 170618174 ZWGFHJQKHYJPAU-UHFFFAOYSA-N 436.449 3.608 5 50 IHBA CCOc1cc(C)ccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 1060785 IQNSDHRDTNIKGU-UHFFFAOYSA-N 442.497 3.984 5 50 IHBA Cc1ccc(N2CCC(C(=O)NCc3cccnc3)CC2)c([N+](=O)[O-])c1Br 225651198 WRSWXOXMGUFWOU-UHFFFAOYSA-N 433.306 3.594 5 50 IHBA Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 245255469 IOSCYWBRIHXQPY-BHIFYINESA-N 429.432 3.954 5 50 IHBA Cc1ccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@H]3C[C@@]3(C)C(C)C)CC2)cc1[N+](=O)[O-] 2332239105 WVEKBOJCRAIGTO-NRQFKLOQSA-N 449.573 3.814 5 50 IHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 1181447 VMCLZFRLRXZMIH-FMIVXFBMSA-N 444.476 3.855 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 1135364 DNRJCPIOJPUZKU-UHFFFAOYSA-N 431.514 3.629 5 50 IHBA CCOC(=O)c1cc(C(=O)OCc2ccc3oc(C(=O)OC)cc3c2)cc([N+](=O)[O-])c1 744554250 NTTIVGGICATUEU-UHFFFAOYSA-N 427.365 3.661 5 50 IHBA O=C(Oc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1)c1cccc([N+](=O)[O-])c1 2979315 CKTBLNYLALEPRF-QGZVFWFLSA-N 445.431 3.806 5 50 IHBA O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccco1 3877967 XRRUXLMTSHFUPQ-LBPRGKRZSA-N 437.692 3.601 5 50 IHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] 2849819 DLMBJEKGFHHNFL-UHFFFAOYSA-N 441.465 3.873 5 50 IHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 867203 PPSKIPONRKPQHV-KRWDZBQOSA-N 432.889 3.688 5 50 IHBA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1059697 AISJENGCVZPFMW-GOSISDBHSA-N 427.438 3.678 5 50 IHBA O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cccc([N+](=O)[O-])c1 2800753 OUEZMLWHLCGMKC-UHFFFAOYSA-N 436.449 3.677 5 50 IHBA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1 9553753 KDSLHSIESFHIOO-CYBMUJFWSA-N 429.420 3.513 5 50 IHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 9763839 QJLVCJDEKIZKKK-LBPRGKRZSA-N 430.313 3.801 5 50 IHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NCc1ccccc1 14921007 KOJDEAPQIQBGJB-UHFFFAOYSA-N 425.466 3.634 5 50 IHBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1071909 RWQMJMAIHRZXHQ-UHFFFAOYSA-N 432.465 3.968 5 50 IHBA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1[N+](=O)[O-] 1126401 DKTSHXWMLNLXKL-UHFFFAOYSA-N 439.493 3.677 5 50 IHBA COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)c1cccc([N+](=O)[O-])c1 2544954 MSRFLLZITDZGQS-UHFFFAOYSA-N 432.388 3.805 5 50 IHBA C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2([O-])C1 252694913 RTQDXHMAHWNJLQ-XDQGMKDOSA-N 445.644 3.899 5 50 IHBA biogenic O=C(Nc1ccc(OC(=O)c2cn(Cc3ccccc3)nn2)cc1)c1cccc([N+](=O)[O-])c1 818827270 IBVCXSJQTWSOEX-UHFFFAOYSA-N 443.419 3.706 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cc2ccccc2o1 9668144 RMXOALQCXBNQHI-UHFFFAOYSA-N 444.900 3.831 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(I)c1 9635949 BESWOPFRXWYJCH-UHFFFAOYSA-N 441.250 3.635 5 50 IHBA C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cc([N+](=O)[O-])cn6)o5)nc4c23)C1 2789997 KIYSXTRIIAVPEH-LLVKDONJSA-N 435.469 3.877 5 50 IHBA O=C(Nc1ccc2c(c1)OCCO2)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 2799782 NWKKSPGZBMFIJM-UHFFFAOYSA-N 430.804 3.505 5 50 IHBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9007627 MCQUWVIEGSISNY-UHFFFAOYSA-N 432.480 3.713 5 50 IHBA CCc1nnc(NC(=O)[C@@H](C)[C@H](C)N=c2[nH]c3c([N+](=O)[O-])c(Cl)ccc3s2)s1 2325861923 CUHGABDXMDJJGS-YUMQZZPRSA-N 440.938 3.769 5 50 IHBA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2I)c([N+](=O)[O-])c1 2745743 QNRZINNQVWVVCS-LLVKDONJSA-N 426.210 3.914 5 50 IHBA COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2879879 XUGPIUBKWWYHDL-UHFFFAOYSA-N 440.437 3.576 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1I 9113861 PIAYABWIGNFIHW-UHFFFAOYSA-N 441.250 3.635 5 50 IHBA CCOC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c(c1)oc(=O)c1ccccc12 627679 ZKSQWJAJUIHRCI-ZIAGYGMSSA-N 428.437 3.607 5 50 IHBA biogenic O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8974304 MHWMNQKHWRZMGV-UHFFFAOYSA-N 445.435 3.887 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1Cl 8989893 IJFPCLGMNUPHSQ-UHFFFAOYSA-N 435.845 3.572 5 50 IHBA COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 226257081 ZGJQSPINOPAOTC-BHIFYINESA-N 445.431 3.655 5 50 IHBA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C(N)=O 2739781 IGTBELKWVJPAQC-UHFFFAOYSA-N 425.850 3.535 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Br 881818 FMQARTRDMUMYDZ-UHFFFAOYSA-N 428.239 3.632 5 50 IHBA C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 253420039 ISPLYTRMMYPCFT-IUODEOHRSA-N 432.502 3.846 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 725833 QLRCNIUJXPLVJK-INIZCTEOSA-N 431.246 3.624 5 50 IHBA O=C1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc21 253427920 FUXHXSFZGGBDBK-UHFFFAOYSA-N 425.260 3.529 5 50 IHBA CCCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)NC(c2ccccc2)=C1C(=O)OCC 100748800 JWIDQHGRLKTFPU-HXUWFJFHSA-N 441.509 3.877 5 50 IHBA O=[N+]([O-])c1ccn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 2732493 IVVDINNXZYKKFO-UHFFFAOYSA-N 430.881 3.527 5 50 IHBA O=C(c1c(F)cccc1F)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 8426407 IZOTVKGGGALKLL-UHFFFAOYSA-N 448.445 3.965 5 50 IHBA CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 225833785 NHTHXQOEHMPAOZ-VIFPVBQESA-N 432.285 3.900 5 50 IHBA CC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 1158477 OHWJYMZSLBMNKV-FGEXJBCWSA-N 438.439 3.674 5 50 IHBA Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 9601177 KIVIYMLEPDZWGI-UHFFFAOYSA-N 448.302 3.884 5 50 IHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2ccc(Br)cc2)CC1 170606308 RSIQZWKXBJJBCL-UHFFFAOYSA-N 438.665 3.755 5 50 IHBA Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 170613936 AKPBFLZJJHNRSE-UHFFFAOYSA-N 434.290 3.539 5 50 IHBA O=C1[C@H]2[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccc(F)cc1 245240456 TVNKGLFFGUBVSO-PWRODBHTSA-N 433.395 3.785 5 50 IHBA COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1103632 QXQXMDCOAKRALF-UHFFFAOYSA-N 426.450 3.948 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2978821 KTWPFTCHAUVGLB-UHFFFAOYSA-N 444.494 3.862 5 50 IHBA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 12410950 IUNJKFPSVOMUDO-FUHWJXTLSA-N 443.506 3.519 5 50 IHBA Cc1cc(C)c(OCC(=O)Nc2ccccc2I)c([N+](=O)[O-])c1 1145854 PFBZEXQGAAJOMG-UHFFFAOYSA-N 426.210 3.834 5 50 IHBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCN(C(=O)c2ccccc2F)CC1 435920837 AWKYQIJIBNFOOZ-UHFFFAOYSA-N 443.478 3.809 5 50 IHBA O=C(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1(c2cccc(Cl)c2)CC1 225527706 PQOGQZPLQJUZBL-UHFFFAOYSA-N 433.244 3.577 5 50 IHBA C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)cc2[N+](=O)[O-])C1 240412886 FONNFORFBBUXHO-DLBZAZTESA-N 437.496 3.966 5 50 IHBA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C(N)=O)C1 2884329 LIGHJGLLAHJAAW-LBPRGKRZSA-N 431.514 3.924 5 50 IHBA CC(C)c1ccc(OC[C@@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4819310 CUHSLNNQKITDKR-QGZVFWFLSA-N 427.501 3.752 5 50 IHBA CC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 1158478 OHWJYMZSLBMNKV-ZQFKLAOWSA-N 438.439 3.674 5 50 IHBA Cc1cccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C 9355149 JENLOFBIXPYQEP-UHFFFAOYSA-N 437.418 3.958 5 50 IHBA O=C(O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 13372519 OPDXPZMJGYBQNV-UJKMTWAASA-N 440.411 3.690 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 1167611 YGNUEIUBSASBBW-UHFFFAOYSA-N 434.905 3.984 5 50 IHBA O=C(CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1)N1CCCC1 2325748688 ZENOIHOJMHKTOK-UHFFFAOYSA-N 431.536 3.548 5 50 IHBA Cc1ccnc([C@@H](Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])C2CC2)n1 229985840 BAXWJHJKKPZEDA-VLIAUNLRSA-N 445.545 3.677 5 50 IHBA O=C(O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1[N+](=O)[O-] 3661883 DOLJMYMGCAPLGE-UHFFFAOYSA-N 449.331 3.794 5 50 IHBA COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)c1 9601745 LPBXZDJJQSUJJK-UHFFFAOYSA-N 436.468 3.771 5 50 IHBA CC[C@H](Oc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2735006 MZZAJZKTNNOEKR-INIZCTEOSA-N 447.494 3.680 5 50 IHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccco1 1141849 JAWCJKVAHXWVIX-UHFFFAOYSA-N 425.466 3.990 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 2981758 NXCZHXKBZZFSAQ-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA COC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])C=C[C@@H](c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC 247810741 CKXDGJUGYNDOKK-XAMWDVODSA-N 440.408 3.519 5 50 IHBA Cc1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 1120036 POWRDCCFGSUUBF-UHFFFAOYSA-N 432.285 3.615 5 50 IHBA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nn12 13148222 FELGZTUJXGDYCD-UHFFFAOYSA-N 438.469 3.893 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1[N+](=O)[O-] 2827271 BCRKBDXYELLJDJ-UHFFFAOYSA-N 444.252 3.735 5 50 IHBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c3c(C)cc(C(F)(F)F)nc3nn12 13645546 DLLZOKNFOKNXOA-UHFFFAOYSA-N 431.330 3.967 5 50 IHBA Cc1cc(C)c2nc3s/c(=C\c4ccc(Br)c([N+](=O)[O-])c4)c(=O)n3c2c1 2915789 LVKTVYCXIGITFT-NVNXTCNLSA-N 430.283 3.744 5 50 IHBA COc1ccc(NC(=O)c2ccccc2O[C@@H](C)C(=O)Nc2nccs2)c([N+](=O)[O-])c1 12380988 YRHOQQGTIPHMID-LBPRGKRZSA-N 442.453 3.718 5 50 IHBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 9891911 CBFRFRTUWROWMA-UHFFFAOYSA-N 438.528 3.946 5 50 IHBA O=C(Nc1ccc(Br)cc1F)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2800249 PYFPTLAVKNDZDT-UHFFFAOYSA-N 435.209 3.982 5 50 IHBA CCn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(I)cc2c1=O 13596794 GGGQVOUHADRRIK-QPJJXVBHSA-N 437.193 3.693 5 50 IHBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@H]3C2=O)cc1 229908510 QYGAIPNYDYKXHJ-BHDDXSALSA-N 429.432 3.954 5 50 IHBA Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccc([N+](=O)[O-])c2n1 929085009 UHHJNXYDPBOKEH-UHFFFAOYSA-N 446.916 3.616 5 50 IHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 4090989 KWNHGCFDLWNRHU-IZZDOVSWSA-N 436.449 3.967 5 50 IHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl 1193024 ZCGYUBHGMNZAFT-UHFFFAOYSA-N 432.845 3.696 5 50 IHBA COc1cc(OC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 55543107 IWLALFYWUCNQDL-UHFFFAOYSA-N 436.306 3.697 5 50 IHBA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1148060 VAHBTYRGLGAJCJ-UHFFFAOYSA-N 449.463 3.818 5 50 IHBA COC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@@H](c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC 4551875 CKXDGJUGYNDOKK-OBMJPTGESA-N 440.408 3.519 5 50 IHBA O=C(O)COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 1177695 GCOZZZRAQNUABF-UHFFFAOYSA-N 434.360 3.651 5 50 IHBA Cc1c(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cccc1[N+](=O)[O-] 1208128 JCYDYDVZDJLCAK-UHFFFAOYSA-N 427.372 3.872 5 50 IHBA COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 2993102 DLDYLEMTDXIVQY-XMMPIXPASA-N 432.432 3.611 5 50 IHBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccc(F)cc1 230216769 ZIEYAEJTWWFULE-PGRDOPGGSA-N 438.415 3.759 5 50 IHBA C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 435813423 HZIXRNINNDZNNT-HNNXBMFYSA-N 444.447 3.801 5 50 IHBA COC(=O)CSc1cc([N+](=O)[O-])cc2c1c([C@@H]1OCCS1)nn2-c1ccccc1 2601105 FQAPXMXRLSKHHI-LJQANCHMSA-N 431.495 3.961 5 50 IHBA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 12380091 KPSLDZRRZSMYNL-QQNJPBSNSA-N 438.439 3.674 5 50 IHBA COC(=O)c1sccc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12649111 PBLSKADPPSTQKM-UHFFFAOYSA-N 430.486 3.817 5 50 IHBA CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 828936 SZABGCZKXPCOAR-UHFFFAOYSA-N 429.388 3.585 5 50 IHBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C)cc1 13880620 YENXLBHLDOFNFN-CQSZACIVSA-N 443.447 3.821 5 50 IHBA CC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 1157401 KPSLDZRRZSMYNL-VUUXHMSQSA-N 438.439 3.674 5 50 IHBA Cc1cc(Br)cc(C)c1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 938619 AEWGAMUUOMNVFE-UHFFFAOYSA-N 447.241 3.566 5 50 IHBA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)cc1[N+](=O)[O-] 1109739 QNRLVMVFIXHALA-UHFFFAOYSA-N 440.419 3.889 5 50 IHBA C[C@](N)(C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 1875335055 QUJNQGJJGXOUII-PKOBYXMFSA-N 442.274 3.815 5 50 IHBA O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8690088 QMXDAZRWPPSKLW-UHFFFAOYSA-N 446.507 3.547 5 50 IHBA COCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 8816824 NDJODSNRFQHBFJ-QNGOZBTKSA-N 449.463 3.697 5 50 IHBA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 239433274 XLNWKKFDQFMZBT-ILRDRHFLSA-N 430.420 3.847 5 50 IHBA CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 12379998 RIHQERMRCBMRGY-CPNJWEJPSA-N 435.392 3.523 5 50 IHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 808513 IOKMHPCIISQYDU-UHFFFAOYSA-N 445.884 3.979 5 50 IHBA O=[N+]([O-])c1ccc(N2C3=[N+](CCCS3)C[C@]2(O)c2ccc(Br)cc2)cc1 4531456 NHTRYYMZHFFXEK-SFHVURJKSA-N 435.323 3.528 5 50 IHBA Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F 16282347 KJTBDCNWWJGHTC-UHFFFAOYSA-N 447.410 3.572 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 137953488 VUKMGDAVKDJOAH-FDFHNCONSA-N 429.432 3.642 5 50 IHBA COc1ccc([C@@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c(O)cc(C)oc2=O)cc1 253471568 VJRCCZDAFDXABA-MRXNPFEDSA-N 442.399 3.870 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccc([N+](=O)[O-])cc1 1167712 YVCPYIDLYRXWFO-OAHLLOKOSA-N 429.498 3.696 5 50 IHBA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1 230054264 OYYRYRGCYOYKDO-GSPCLOLRSA-N 427.460 3.656 5 50 IHBA O=C(Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1116800 OJUACMBUOSMYDD-UHFFFAOYSA-N 431.448 3.915 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 8743577 WRPQUFZGQDGJKX-UHFFFAOYSA-N 435.875 3.704 5 50 IHBA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 888072 AVCGXLUUTFKNMR-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1ccccc1NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 1113708 GQBDFXIKGQWKFN-UHFFFAOYSA-N 430.420 3.619 5 50 IHBA CCOC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OCC)c2c(c1)oc(=O)c1ccccc12 627677 ZKSQWJAJUIHRCI-KBPBESRZSA-N 428.437 3.607 5 50 IHBA biogenic CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1059695 AISJENGCVZPFMW-SFHVURJKSA-N 427.438 3.678 5 50 IHBA O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 4084556 GSNWOABCJULMKC-UHFFFAOYSA-N 435.230 3.502 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1F 1174607 PSNJXDPHTIUPMF-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA COc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](Sc2ccc(Br)cc2)C1=O 8773180 RQTUOKWBQLKJDP-OAHLLOKOSA-N 437.271 3.790 5 50 IHBA COC(=O)c1cc(C(=O)Nc2cc(Br)cc3nc(C)oc23)cc([N+](=O)[O-])c1 170600362 OQTJUUNQQZTPHZ-UHFFFAOYSA-N 434.202 3.846 5 50 IHBA Cc1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 479596263 YDFDZIAOLILYQU-UHFFFAOYSA-N 440.403 3.995 5 50 IHBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 498091450 IFEZEKLUNODRJP-MWTRTKDXSA-N 434.442 3.767 5 50 IHBA O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 229927904 LEDCWLZFYZHCKR-PWRODBHTSA-N 433.395 3.785 5 50 IHBA O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 3144055 LSJHCOUZCILFBZ-UHFFFAOYSA-N 448.343 3.584 5 50 IHBA CCCc1nc2ccccc2n2c(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3c12 2843758 VBCJUDCREDXTCM-UHFFFAOYSA-N 428.492 3.666 5 50 IHBA CCOC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 12413572 MKVPCRMOXIVQKM-UHFFFAOYSA-N 428.464 3.575 5 50 IHBA COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 101084028 ZGJQSPINOPAOTC-YPAWHYETSA-N 445.431 3.655 5 50 IHBA CCOc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 8983555 OJXHAWSGLGJXMP-UHFFFAOYSA-N 433.486 3.918 5 50 IHBA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 16184100 ZGQZYOGSCYVOGE-IZZDOVSWSA-N 441.494 3.829 5 50 IHBA Cc1c(C(N)=O)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)OC(C)C 17094618 GHNVGQKIEKVROB-UHFFFAOYSA-N 425.850 3.535 5 50 IHBA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 1112973 RSKCAROAAASNIX-SFHVURJKSA-N 441.440 3.545 5 50 IHBA COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O 2483326 HBTUNLDEXHVWHC-IBGZPJMESA-N 439.453 3.621 5 50 IHBA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8741415 IEMDSPUWMPROLD-UHFFFAOYSA-N 445.435 3.887 5 50 IHBA CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 15746784 YPVDDOHWKYGEHY-XMHGGMMESA-N 449.419 3.774 5 50 IHBA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 1157074 BVFPNZLPXVUALO-UHFFFAOYSA-N 443.456 3.564 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1139249 KBTAAGSCPHMJJU-UHFFFAOYSA-N 431.514 3.885 5 50 IHBA Cc1cc(C)c(NC(=O)[C@@H]2CCCN2CCOC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3139323 WZVUHBCMBWTUKN-FQEVSTJZSA-N 425.485 3.780 5 50 IHBA CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 9846214 JHGZDWMTHULBSH-UHFFFAOYSA-N 433.511 3.839 5 50 IHBA COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl 12855793 APIKBMZTMNXNOS-UHFFFAOYSA-N 434.905 3.984 5 50 IHBA Cc1ccc(-c2csc3nc4c5ccccc5c(NCCOCCO)nn4c(=O)c23)cc1 1803327 MOGJXAGAMMHFNT-UHFFFAOYSA-N 446.532 3.854 5 50 IHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc3ccccc3n3cnnc23)CC1 16426094 UKYRRHIBJGBQAD-UHFFFAOYSA-N 443.389 3.531 5 50 IHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccc(OC(C)C)cc2)CC1 13322867 DREOEGCRGRJPQD-UHFFFAOYSA-N 428.489 3.740 5 50 IHBA O=c1[nH]nc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc12 55529364 CLQXQJIEXFBTMW-UHFFFAOYSA-N 441.491 3.821 5 50 IHBA Cc1occc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 19637989 BIQQICOXLRCENH-INIZCTEOSA-N 443.485 3.665 5 50 IHBA CCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2905410 DDIMBUJODYFJSU-LBPRGKRZSA-N 443.740 3.502 5 50 IHBA C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 253420042 ISPLYTRMMYPCFT-SWLSCSKDSA-N 432.502 3.846 5 50 IHBA Cc1nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc([N+](=O)[O-])cc1 2690589 POQLBUKSSHRHPG-UHFFFAOYSA-N 434.455 3.705 5 50 IHBA Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1 239302805 FNORUDMBNCDKKE-BHIFYINESA-N 429.432 3.954 5 50 IHBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(Br)cc2Br)n1 1002195 ANTLLOFJTWUGRR-UHFFFAOYSA-N 436.035 3.728 5 50 IHBA C[C@](N)(C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 1875335053 QUJNQGJJGXOUII-IEBWSBKVSA-N 442.274 3.815 5 50 IHBA O=C(COC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc([N+](=O)[O-])cc1 1228536 HVHLRXWDGDSWOH-UHFFFAOYSA-N 432.182 3.503 5 50 IHBA COC(=O)C1=CN(c2ccc(F)c(F)c2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1141272 HCXPLHONGLSLBI-UHFFFAOYSA-N 430.363 3.591 5 50 IHBA Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1174492 GTZYLFSGHDGXFM-UHFFFAOYSA-N 432.465 3.764 5 50 IHBA CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnc[nH]2)c1 225803821 JBCGEIRIWWWESY-UHFFFAOYSA-N 445.277 3.972 5 50 IHBA CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1 17095389 IBIZZKCUNSSYTL-UHFFFAOYSA-N 427.486 3.596 5 50 IHBA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 19228860 LZFHHGDICAQCSU-HNNXBMFYSA-N 447.662 3.719 5 50 IHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 792979 AYSNUGQUKSMWHX-HUUCEWRRSA-N 431.514 3.822 5 50 IHBA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1Cc1ccccc1 100722375 ILTXKNHWZXTCFB-YPAWHYETSA-N 429.432 3.642 5 50 IHBA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1 217729914 OYYRYRGCYOYKDO-AFXVXQJMSA-N 427.460 3.656 5 50 IHBA Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1C 14126296 QMWPVBGWEYGCGM-UHFFFAOYSA-N 427.486 3.650 5 50 IHBA C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 435813424 HZIXRNINNDZNNT-OAHLLOKOSA-N 444.447 3.801 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 9287726 GIFYOCBETMJDJV-UHFFFAOYSA-N 435.392 3.563 5 50 IHBA CCOc1cc(C=O)cc(I)c1OC(=O)c1ccccc1[N+](=O)[O-] 1157742 OHFIWENPEKBEJJ-UHFFFAOYSA-N 441.177 3.630 5 50 IHBA CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Br)cc2)C1 4201227 VDUYGFTYAXNXLA-IBGZPJMESA-N 432.274 3.743 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NC(c1ccccc1)c1ccccc1 19792775 VBJVGPZGOMTOND-UHFFFAOYSA-N 432.524 3.911 5 50 IHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCCO[C@@H]1CCCCO1 225534878 BCXWMCAQDXXNCF-HXUWFJFHSA-N 441.550 3.505 5 50 IHBA C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(=O)N1c1ccccc1 444092344 DBSCVZASJGVKLW-YEJXKQKISA-N 447.441 3.883 5 50 IHBA Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)cc2)no1 3613294 ZOBDGICCPFIHNG-UHFFFAOYSA-N 433.471 3.501 5 50 IHBA O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 8645380 MFWLWWCUCDKAEP-UHFFFAOYSA-N 430.455 3.826 5 50 IHBA CCOC(=O)c1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)sc2c1CCCC2 2990958 DVGYDQJVQARCDO-UHFFFAOYSA-N 432.454 3.751 5 50 IHBA COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 13304251 AYWXPDGMBGGQTP-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16383970 KUSVJKPNHGNFEI-UHFFFAOYSA-N 430.892 3.937 5 50 IHBA COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1122393 ONEDKGQMIBVLGB-UHFFFAOYSA-N 426.400 3.760 5 50 IHBA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 1066605 VKHDISMBXWRTTL-UHFFFAOYSA-N 441.465 3.681 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 1115606 VIYLDGDZSUZAAN-UHFFFAOYSA-N 432.285 3.713 5 50 IHBA O=C(Cc1ccccc1)N[C@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3018970 MQZULCAYPYRPHZ-OAHLLOKOSA-N 448.646 3.937 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 9601192 PHZWUPCQKQHVPF-UHFFFAOYSA-N 447.904 3.995 5 50 IHBA C[C@@H](CO)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 225606653 LSVLFQFREFZWBT-GTNSWQLSSA-N 443.319 3.542 5 50 IHBA COc1ccc(-c2cc(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)no2)cc1OC 1857800550 DNNMGBKRLGWHKB-UHFFFAOYSA-N 429.454 3.789 5 50 IHBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccccc1 2101294 BFGDNRJADYUASK-UHFFFAOYSA-N 426.410 3.891 5 50 IHBA COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2851971 VPWJWFPRVOBLCH-UHFFFAOYSA-N 444.494 3.862 5 50 IHBA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 9010274 SNMYANKXZKSIDG-UHFFFAOYSA-N 432.465 3.968 5 50 IHBA CCOC(=O)c1ccc(N2C(=O)[C@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 12410955 IUNJKFPSVOMUDO-AEFFLSMTSA-N 443.506 3.519 5 50 IHBA O=C(c1ccc(Br)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15799177 VWDLLODOTHYDJS-UHFFFAOYSA-N 448.195 3.932 5 50 IHBA CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2I)C1 170595094 XWBQMZJJOXQENO-MNOVXSKESA-N 434.299 3.946 5 50 IHBA O=C(NCc1ccco1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845307 TXKKOQCIAOUJTI-UHFFFAOYSA-N 431.330 3.846 5 50 IHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 11582550 QMIFMAOWVCPMSZ-QHAWAJNXSA-N 433.395 3.785 5 50 IHBA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 975930 PHCDDYGCLRBCKK-KRWDZBQOSA-N 445.273 3.932 5 50 IHBA CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 12380162 WKSIGSRGSRPKAM-UHFFFAOYSA-N 439.449 3.851 5 50 IHBA C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(O)c2)cc([N+](=O)[O-])c1)c1cccc(O)c1 444465877 KENWWOCANXYSGL-GJZGRUSLSA-N 449.463 3.988 5 50 IHBA Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)c1 229929871 KVWRTGLPXOMTMP-BHDDXSALSA-N 429.432 3.954 5 50 IHBA CC(C)OC(=O)COc1cc(OCC(=O)OC(C)C)c2c(c1)oc(=O)c1ccccc12 629917 FXTNMORZWKNLJQ-UHFFFAOYSA-N 428.437 3.607 5 50 IHBA biogenic CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 14152371 DMNBVZFYUNSLCE-UHFFFAOYSA-N 430.442 3.783 5 50 IHBA C[C@@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2(O)C1 252441513 ZSDBUJBJWGVNKA-NQOAUWQOSA-N 446.652 3.790 5 50 IHBA O=c1c2ccc(Cl)cc2ncn1Cc1ccc(I)cc1[N+](=O)[O-] 2529398 KBWNOAVSVKDMOW-UHFFFAOYSA-N 441.612 3.611 5 50 IHBA O=C(c1ccc(F)cc1F)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 15724130 GLGVTHGDJHECMU-UHFFFAOYSA-N 434.418 3.575 5 50 IHBA Cc1c(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cccc1[N+](=O)[O-] 1180051 STBVGRAPBRCCHF-UHFFFAOYSA-N 432.465 3.764 5 50 IHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(I)cc2)c([N+](=O)[O-])c1 104228824 YWYPPOIUFVFEQK-UHFFFAOYSA-N 430.114 3.759 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1ccccc1[N+](=O)[O-] 1166085 KCEKLXUYQLMUCD-ZDUSSCGKSA-N 429.498 3.696 5 50 IHBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 9635901 QDMHQHKKPNEHCE-IBGZPJMESA-N 444.919 3.802 5 50 IHBA CS(=O)(=O)c1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 1151482 VZGWZYDXSRVYSY-UHFFFAOYSA-N 434.417 3.748 5 50 IHBA O=c1n(Cc2ccccc2)c2cc(Br)c([N+](=O)[O-])nc2n1Cc1ccccc1 2362507 DWWINHHJKWPACN-UHFFFAOYSA-N 439.269 3.965 5 50 IHBA COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc([N+](=O)[O-])c1 2875593 JZTKCRLBLLXJOI-UHFFFAOYSA-N 449.419 3.895 5 50 IHBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@H](C(=O)OC)CC2 1744104 MHIQJXHJKZZRPY-SNVBAGLBSA-N 438.845 3.551 5 50 IHBA COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CC[C@@H](C(C)(C)C)C2 12364851 IDPBUNLJUYFJQM-NWDGAFQWSA-N 434.518 3.990 5 50 IHBA COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 2861494 MWOKDSNTTWUECB-UHFFFAOYSA-N 440.427 3.756 5 50 IHBA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 226894961 SAVQKEGHSNRNBW-QPPBQGQZSA-N 442.431 3.952 5 50 IHBA COc1ccc([C@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c(O)cc(C)oc2=O)cc1 253471567 VJRCCZDAFDXABA-INIZCTEOSA-N 442.399 3.870 5 50 IHBA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 1156844 YIWOMUFCFYNYMC-GOSISDBHSA-N 446.847 3.532 5 50 IHBA O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1 8823372 PEQPAHQMQBHNCU-UHFFFAOYSA-N 443.510 3.748 5 50 IHBA Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 2873932 IVXPINLJYQCALV-UHFFFAOYSA-N 432.285 3.615 5 50 IHBA COc1ccc(N2O[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 244633237 FZKPBSNVJMQEFD-BDTNDASRSA-N 445.431 3.655 5 50 IHBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1188579 DAMNVJOBJCXKHJ-NRFANRHFSA-N 447.451 3.639 5 50 IHBA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C 16115591 QTEHMVBIRJPDHU-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O 18245023 UHCSVBBEXILQTG-HDICACEKSA-N 441.871 3.981 5 50 IHBA CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)OC)c1C 671747 NAPNMUGLIZEQNB-UHFFFAOYSA-N 433.486 3.794 5 50 IHBA O=C1OCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(Br)c1 1427980 NOFLWURGKFQSBN-HNNXBMFYSA-N 429.226 3.689 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 8435255 SABACYLMQLXUIB-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 9933443 UKGMMAKTHWUPPX-QFIPXVFZSA-N 435.524 3.928 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 1129629 DYRKMBYAGFNBTK-GFCCVEGCSA-N 449.916 3.960 5 50 IHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1Cl 1218036 LXIVXKZWCPDGAS-UHFFFAOYSA-N 432.601 3.870 5 50 IHBA O=[N+]([O-])c1cccc([C@@H]2N3CCc4ccccc4[C@H]3CN2S(=O)(=O)c2ccccc2)c1 245234484 BBJPPDOLVXDEKW-DHIUTWEWSA-N 435.505 3.897 5 50 IHBA C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 9720334 DUEFQFBFQQILOX-GFCCVEGCSA-N 430.313 3.801 5 50 IHBA O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1 3877958 NCVNWUZYWVPJNU-LBPRGKRZSA-N 437.692 3.601 5 50 IHBA Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 16268961 KQAVSVJOIQAVSI-UHFFFAOYSA-N 432.933 3.702 5 50 IHBA CCc1ccc(C(=O)N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cc1 170591345 RXNRFCBRVJFFIO-UHFFFAOYSA-N 432.318 3.878 5 50 IHBA Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C1=O 245246450 LYHURZVPPLFWJW-YPAWHYETSA-N 429.432 3.954 5 50 IHBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 35624742 LYXLGZWFEUYIHG-UHFFFAOYSA-N 429.542 3.628 5 50 IHBA Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1[N+](=O)[O-] 169621104 CLTDTXRBLIVUSZ-QFIPXVFZSA-N 443.463 3.865 5 50 IHBA COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cccs1 2884663 DRIUVIBYLSWTGA-UHFFFAOYSA-N 427.438 3.935 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc(Cl)c1 9892077 ALCPARWWGJURSA-UHFFFAOYSA-N 439.324 3.739 5 50 IHBA CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 944193 KMCQVGWWCMYYRZ-FQEVSTJZSA-N 427.482 3.690 5 50 IHBA CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 20602140 XJOXUTIVXQCRKA-UHFFFAOYSA-N 432.477 3.650 5 50 IHBA O=C(OC[C@]12CC[C@]1(COC(=O)c1ccc([N+](=O)[O-])cc1)C2)c1ccc([N+](=O)[O-])cc1 104279708 JHYRZAPTWAJSDK-NHCUHLMSSA-N 426.381 3.687 5 50 IHBA Cc1c(C(N)=O)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C(=O)OC(C)C 17094617 ATCWTQRXCFOOND-UHFFFAOYSA-N 425.850 3.535 5 50 IHBA O=C(c1ccccc1F)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 15686472 JAIQBCHYEUMUNH-UHFFFAOYSA-N 430.455 3.826 5 50 IHBA C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(=O)N1c1ccccc1 444092336 DBSCVZASJGVKLW-ASSNKEHSSA-N 447.441 3.883 5 50 IHBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 8927172 DANBXVKTTLHGQF-IBGZPJMESA-N 444.919 3.802 5 50 IHBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 9601758 ZKCIZLJPNFCWJA-UHFFFAOYSA-N 436.468 3.771 5 50 IHBA CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 14152607 CZNDJZLLEOATGR-UHFFFAOYSA-N 443.485 3.525 5 50 IHBA COC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])C=C[C@@H](c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC 25693271 CKXDGJUGYNDOKK-CPLUKWAASA-N 440.408 3.519 5 50 IHBA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16385501 RRZYAJIDYUVIFW-UHFFFAOYSA-N 430.892 3.937 5 50 IHBA COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14011041 BKXJOODUTLPFKU-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 16212825 AGHUUABLNLHZPC-UHFFFAOYSA-N 437.477 3.594 5 50 IHBA COc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](Sc2ccc(Br)cc2)C1=O 100667625 RQTUOKWBQLKJDP-HNNXBMFYSA-N 437.271 3.790 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 1146480 OWNSZQACVGYOKD-UHFFFAOYSA-N 447.419 3.707 5 50 IHBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 229869055 AYUSIIUDFYQHOF-BHDDXSALSA-N 429.432 3.954 5 50 IHBA Cc1ccccc1OCC(=O)Nc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 710936 GEUCQSLFSMKFTD-UHFFFAOYSA-N 431.404 3.721 5 50 IHBA CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O 4290086 BNVNNIFBPGBAEQ-INIZCTEOSA-N 446.257 3.617 5 50 IHBA Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3nn(C)c(C)c3Br)nc12 13961074 MKUDFIOSCBPBPH-UHFFFAOYSA-N 428.319 3.975 5 50 IHBA COC(=O)c1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 2814790 LZVNOZUJBDYJAI-UHFFFAOYSA-N 432.845 3.729 5 50 IHBA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 11617284 RHAVLXLIKGKBNH-UHFFFAOYSA-N 446.415 3.550 5 50 IHBA CC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 2998099 KPSLDZRRZSMYNL-ZQFKLAOWSA-N 438.439 3.674 5 50 IHBA Cc1ccc(CONC(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)cc1 2796765 AJYOXTDEETWSEP-UHFFFAOYSA-N 445.273 3.772 5 50 IHBA COc1ccc(NC(=O)c2ccccc2OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 16382128 ZCDQKEPCRKZFAS-UHFFFAOYSA-N 427.457 3.683 5 50 IHBA CC(C)CC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2667006 FQNSMNBIQKQIRH-GFCCVEGCSA-N 427.741 3.740 5 50 IHBA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 2989532 PCHXQKCLIAOYBB-UHFFFAOYSA-N 438.874 3.758 5 50 IHBA O=c1c([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)c2ccccc2n1-c1ccccc1 8836311 STQRHPONDSKFDN-UHFFFAOYSA-N 427.464 3.621 5 50 IHBA O=C(Nc1ccc(Br)cc1)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-] 16286342 JOIHXYFEIDXDKG-UHFFFAOYSA-N 430.218 3.585 5 50 IHBA CCc1c(C)sc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1C(N)=O 2794787 VECVVQCLXGFFGO-UHFFFAOYSA-N 441.513 3.740 5 50 IHBA C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 2906739 CAFDFQBQTBXSDC-QGZVFWFLSA-N 439.493 3.668 5 50 IHBA CCOC(C[S@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)OCC 3121971 QXLLVCDQTQOXJJ-HHHXNRCGSA-N 426.516 3.544 5 50 IHBA COCCNC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccc(C)cc1 13551886 FULOOTBSJAVIDC-HKWRFOASSA-N 449.463 3.697 5 50 IHBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 9971664 WHKYMBQRRIEGEZ-UHFFFAOYSA-N 447.495 3.573 5 50 IHBA CC1CCN(S(=O)(=O)c2cc3c(=O)nc4ccc(Cl)cn4c3cc2Cl)CC1 12417808 PCUNNQOYORKWPM-UHFFFAOYSA-N 426.325 3.575 5 50 IHBA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 16319691 WRWSDJGGEBMPLI-UHFFFAOYSA-N 440.275 3.501 5 50 IHBA Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 2897870 YZFZCQNAUDJOFE-UHFFFAOYSA-N 434.455 3.705 5 50 IHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 9763838 QJLVCJDEKIZKKK-GFCCVEGCSA-N 430.313 3.801 5 50 IHBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1142510 LWNKUBJMIGEESJ-UHFFFAOYSA-N 432.274 3.848 5 50 IHBA Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)ccc1Br 1430025 ZAXAWZMDXBJDNT-UHFFFAOYSA-N 432.072 3.572 5 50 IHBA CC(C)(C)C(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2913325 FCQNSHNBKDVOFL-SNVBAGLBSA-N 427.741 3.740 5 50 IHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NCCc1ccccc1 1143142 PDDBOPCOFMYJAP-UHFFFAOYSA-N 439.493 3.677 5 50 IHBA COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1 245246820 OZVWQMZSXNUHBB-YPAWHYETSA-N 445.431 3.655 5 50 IHBA C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2C)C1=O 2325862534 XMIKOUQZHAGEOO-LIRRHRJNSA-N 438.459 3.708 5 50 IHBA Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cccc([N+](=O)[O-])c1 9029901 HYVFDPHWUIUULH-UHFFFAOYSA-N 427.530 3.567 5 50 IHBA COc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc([N+](=O)[O-])c1 721022 YSVDKZKWVKRSJG-UHFFFAOYSA-N 437.172 3.528 5 50 IHBA CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 9030723 VMQGRQYKLYJMHE-UHFFFAOYSA-N 430.438 3.902 5 50 IHBA CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 12380160 PIMZVSRHGMIQBU-UHFFFAOYSA-N 439.449 3.851 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 138431045 QMIFMAOWVCPMSZ-PCCBWWKXSA-N 433.395 3.785 5 50 IHBA COc1cccc(OCCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 3095317 QDPBUNYWIACXIE-UHFFFAOYSA-N 430.404 3.910 5 50 IHBA COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O 2483328 HBTUNLDEXHVWHC-LJQANCHMSA-N 439.453 3.621 5 50 IHBA O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 100722370 ILTXKNHWZXTCFB-BHDDXSALSA-N 429.432 3.642 5 50 IHBA Cc1ccc([N+](=O)[O-])c(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 2868770 DNJRSFJHDKFXBX-UHFFFAOYSA-N 431.448 3.778 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 18245024 UHCSVBBEXILQTG-ROUUACIJSA-N 441.871 3.981 5 50 IHBA O=C(CS[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc12 22016055 XETDJOYGUOHWCB-LJQANCHMSA-N 435.461 3.752 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 136255781 ILTXKNHWZXTCFB-FDFHNCONSA-N 429.432 3.642 5 50 IHBA O=C(COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccccc1)c1ccccc1 853075 FNUWWSLOCRYACM-UHFFFAOYSA-N 447.399 3.674 5 50 IHBA C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2C)C1=O 2325862533 XMIKOUQZHAGEOO-KUHUBIRLSA-N 438.459 3.708 5 50 IHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)c1ccc(Cl)cc1 9434620 YBIZSJGNQKXMIU-GFCCVEGCSA-N 430.313 3.801 5 50 IHBA COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cn1cc([N+](=O)[O-])cn1 17101348 BHNHEMFMZLWQAN-UHFFFAOYSA-N 437.481 3.692 5 50 IHBA O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 3144209 WXVRJSMFWYUKFE-UHFFFAOYSA-N 448.343 3.584 5 50 IHBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 9234661 BWHHGGSGDPELIC-CMDGGOBGSA-N 443.843 3.773 5 50 IHBA CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 12291958 SFNQDNIOCZDHRO-UHFFFAOYSA-N 447.513 3.566 5 50 IHBA O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 761976399 ONJQCRJFEMGFIS-UHFFFAOYSA-N 443.419 3.638 5 50 IHBA CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O 4290087 BNVNNIFBPGBAEQ-MRXNPFEDSA-N 446.257 3.617 5 50 IHBA COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(C)cc1 1024216 UBFYNLCGEXFZSJ-UHFFFAOYSA-N 426.450 3.944 5 50 IHBA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 230080965 YGZNELVIXLJXGW-CODAWKSHSA-N 447.447 3.572 5 50 IHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 888093125 XTTKXIOXBVLMOK-UHFFFAOYSA-N 441.790 3.797 5 50 IHBA COc1cccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 990646 CIAUFPVTLWOFKJ-UHFFFAOYSA-N 434.404 3.895 5 50 IHBA O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 13958278 BDVRGVHNNCZFIY-UHFFFAOYSA-N 436.472 3.807 5 50 IHBA O=C1C[C@@H](C(=O)N2CCCc3cccc(OC(F)F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 920011491 QSOKFARONOWENB-CYBMUJFWSA-N 449.385 3.668 5 50 IHBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 12631098 HYLCWDNIZDQGRO-UHFFFAOYSA-N 425.466 3.634 5 50 IHBA COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 13959926 HFABIOAMVCWUJF-UHFFFAOYSA-N 425.401 3.626 5 50 IHBA CCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100642837 IOJPLNQZCAMANZ-KRWDZBQOSA-N 429.524 3.728 5 50 IHBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 9934618 UBAZZOZPISQLFQ-UHFFFAOYSA-N 448.726 3.791 5 50 IHBA CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1068648 QOCYYCPUPLNZTF-LJQANCHMSA-N 427.482 3.867 5 50 IHBA Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)cc1 1133710 FPSFCKHCHGNJFX-UHFFFAOYSA-N 443.456 3.876 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O 2881032 NZYZOGONONLNJM-UHFFFAOYSA-N 436.251 3.998 5 50 IHBA Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)c1 137472871 FNORUDMBNCDKKE-FDFHNCONSA-N 429.432 3.954 5 50 IHBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 1158096 QBDMPSQFKVZCQQ-MRXNPFEDSA-N 438.843 3.958 5 50 IHBA Cn1c(CCNC(=O)C2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 8913945 FHRSCBUHMVARSF-UHFFFAOYSA-N 449.511 3.973 5 50 IHBA CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 12381895 WJIYDTJOJOJURC-UHFFFAOYSA-N 430.892 3.805 5 50 IHBA O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)N1CCc2ccccc21 2749676 OXOPZBGNGPBBJT-UHFFFAOYSA-N 427.258 3.805 5 50 IHBA COC(=O)CCSc1cc([N+](=O)[O-])cc2c1c(C1OCCO1)nn2-c1ccccc1 1089586 KEKCYFBSEIATHY-UHFFFAOYSA-N 429.454 3.634 5 50 IHBA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 138430907 QMIFMAOWVCPMSZ-PWRODBHTSA-N 433.395 3.785 5 50 IHBA COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 638897 RDIVKJAISSGCST-GZTJUZNOSA-N 432.392 3.888 5 50 IHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 17095259 KGFWLKOSLIVELA-UHFFFAOYSA-N 427.269 3.947 5 50 IHBA CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2I)C1 170595093 XWBQMZJJOXQENO-GHMZBOCLSA-N 434.299 3.946 5 50 IHBA C[C@H](CO)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 225606687 LSVLFQFREFZWBT-DIFFPNOSSA-N 443.319 3.542 5 50 IHBA Cc1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C)c(=O)c4ccc(c1=O)c2c34 629056 KRDYLLZBDYDHLO-UHFFFAOYSA-N 446.462 3.661 5 50 IHBA O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16447750 UCHGNUBGJCCOHU-UHFFFAOYSA-N 428.558 3.768 5 50 IHBA CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 4044510 PLHTVUFOHHOCSF-UHFFFAOYSA-N 441.491 3.713 5 50 IHBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 9635902 QDMHQHKKPNEHCE-LJQANCHMSA-N 444.919 3.802 5 50 IHBA CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1136149 NZOPLCAQPLVWQZ-UHFFFAOYSA-N 439.449 3.638 5 50 IHBA COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 9194163 VTLSPMXJRBPLCW-UHFFFAOYSA-N 438.528 3.865 5 50 IHBA CC(=O)c1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1135897 ZXJJKJMRCSRCDV-UHFFFAOYSA-N 425.418 3.849 5 50 IHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1Cc1ccccc1 229884456 ILTXKNHWZXTCFB-BHIFYINESA-N 429.432 3.642 5 50 IHBA Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)c1 9720486 JQQVHBTVXIVNIC-UHFFFAOYSA-N 431.496 3.873 5 50 IHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 16361509 MFQIGIHBSNRMFX-OALUTQOASA-N 448.479 3.519 5 50 IHBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 245240455 TVNKGLFFGUBVSO-NJDAHSKKSA-N 433.395 3.785 5 50 IHBA CCCCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 100681507 MUAPEMWEJAZQKE-UHFFFAOYSA-N 429.524 3.639 5 50 IHBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CC(C)(C)OC2 866573 IODQKTPLPZRONC-UHFFFAOYSA-N 434.470 3.945 5 50 IHBA CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 2861633 VUINUNCVQMHRGS-UHFFFAOYSA-N 440.500 3.550 5 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446.652 3.790 5 50 IHBA O=C(Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)c1cccc([N+](=O)[O-])c1 15746229 PBDVASZXVRCYPU-UDWIEESQSA-N 443.440 3.584 5 50 IHBA O=C1NCCN(Cc2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Br)cc1 2325861977 DYISUMOQJHOIRM-SFHVURJKSA-N 429.274 3.512 5 50 IHBA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(Cc4ccccc4)c3nc12 100675272 BBYOEVLEAANMRY-UHFFFAOYSA-N 441.535 3.548 5 50 IHBA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2)c1ccc([N+](=O)[O-])cc1 1188170 VFSPISOWDIEKKG-UHFFFAOYSA-N 429.498 3.650 5 50 IHBA Cc1nc(Nc2ccc3c(c2)OCCO3)nc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 12372249 CMLJKBFMFOYXPV-UHFFFAOYSA-N 437.412 3.723 5 50 IHBA Cn1nnc2cc(C(=O)Oc3ccc4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc4c3)ccc21 729169535 SETDYFBATHXLJA-UHFFFAOYSA-N 442.387 3.869 5 50 IHBA CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 170614563 LAZXLMPEKSNZRZ-UHFFFAOYSA-N 427.354 3.951 5 50 IHBA CC(C)c1ccc(OC[C@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4819311 CUHSLNNQKITDKR-KRWDZBQOSA-N 427.501 3.752 5 50 IHBA CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 225833802 NHTHXQOEHMPAOZ-SECBINFHSA-N 432.285 3.900 5 50 IHBA COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1155533 IODCKRMIROSOIB-UHFFFAOYSA-N 434.404 3.895 5 50 IHBA COc1ccc(Cl)c2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 728006901 WADZKQAPRANADX-GFCCVEGCSA-N 447.850 3.728 5 50 IHBA CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c1 2873035 NGEPYYPBNQWMAD-UHFFFAOYSA-N 426.454 3.892 5 50 IHBA O=c1cc(-c2cccc(I)c2)nc(-c2cccc([N+](=O)[O-])c2O)o1 33838117 QCPYGKMTPJADCC-UHFFFAOYSA-N 436.161 3.587 5 50 IHBA Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 245309101 AYUSIIUDFYQHOF-YPAWHYETSA-N 429.432 3.954 5 50 IHBA COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl 9234920 LIEMTRVBWUXCHV-FNORWQNLSA-N 447.806 3.522 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 725832 QLRCNIUJXPLVJK-MRXNPFEDSA-N 431.246 3.624 5 50 IHBA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158755 BJGKOHCSGWDGNZ-LAUBAEHRSA-N 445.855 3.957 5 50 IHBA CCOC(=O)c1cc(C(=O)Nc2cc(Oc3ccc(OC)cc3)cc([N+](=O)[O-])c2)nn1C 20605971 BNKSHELZUCHPIQ-UHFFFAOYSA-N 440.412 3.558 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br 9010582 KRXLCUQCLZXHCL-UHFFFAOYSA-N 440.275 3.501 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1Cl 15799940 SQOJTHLXMHKVNV-UHFFFAOYSA-N 439.324 3.739 5 50 IHBA CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)N=c2[nH]c3c([N+](=O)[O-])c(Cl)ccc3s2)s1 2325861921 CUHGABDXMDJJGS-JGVFFNPUSA-N 440.938 3.769 5 50 IHBA Cc1cc(C)cc(OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 1891980 IHBXBSJUCOOIEL-UHFFFAOYSA-N 447.494 3.518 5 50 IHBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1184013 NVQVGGUBINGHKZ-QGZVFWFLSA-N 445.273 3.932 5 50 IHBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 9434692 QUZGUKAJFXGBMT-UHFFFAOYSA-N 449.511 3.758 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 16267018 QAKISYTXSALCGF-UHFFFAOYSA-N 435.524 3.928 5 50 IHBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 9659328 YGUIYRFYEBTTJH-UHFFFAOYSA-N 441.893 3.540 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 169621124 CWCCWSRZCKOIAS-QFIPXVFZSA-N 443.463 3.865 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 2268982 NJZHXETUFSXHIK-UHFFFAOYSA-N 428.239 3.632 5 50 IHBA O=C(c1cccc(F)c1F)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 15724123 WPKFLSWJQWRDMQ-UHFFFAOYSA-N 434.418 3.575 5 50 IHBA Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2813912 YBSVDIWATUGJCI-UHFFFAOYSA-N 447.494 3.505 5 50 IHBA COC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1 22184765 NGYOZIGCWOFFJG-RCCKNPSSSA-N 445.431 3.791 5 50 IHBA O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1C[C@H]1CCCO1 8834550 PJEAIUUJQWTGQJ-GOSISDBHSA-N 425.492 3.716 5 50 IHBA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 9971847 RUGXBTJXPMVRKU-KRWDZBQOSA-N 447.513 3.566 5 50 IHBA CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc12 8833773 HGUKWLZHZNKSOX-UHFFFAOYSA-N 434.426 3.636 5 50 IHBA COc1cc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)cc1OC 240471677 GDTMXVMHPXPJAU-UHFFFAOYSA-N 425.221 3.859 5 50 IHBA CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 241653339 PUHYDEUYLPJYDX-IRLDBZIGSA-N 445.541 3.958 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1C 1131677 CPKVJAOFFAWLCK-AWEZNQCLSA-N 427.486 3.903 5 50 IHBA Cc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1146601 IIHSGAINTSIOPT-UHFFFAOYSA-N 425.466 3.737 5 50 IHBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 4121257 BNUMFDDMAMYPCZ-UHFFFAOYSA-N 430.892 3.949 5 50 IHBA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 20602604 QYBQCWXTWISGJL-UHFFFAOYSA-N 428.514 3.553 5 50 IHBA COc1nn(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1[N+](=O)[O-] 2786886 RKHJOPWESJOQCE-LLVKDONJSA-N 441.517 3.652 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1[N+](=O)[O-] 2982293 OQBSRRHDHQFCSA-UHFFFAOYSA-N 449.448 3.933 5 50 IHBA C[C@@H](CO)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 225606711 LSVLFQFREFZWBT-APPDUMDISA-N 443.319 3.542 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 136571801 JZKWMYLBDZSCOC-FDFHNCONSA-N 429.432 3.642 5 50 IHBA O=C(CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1)NCc1ccco1 2771740 DZPZBSJLPNHDFQ-UHFFFAOYSA-N 446.506 3.570 5 50 IHBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 1172122 LEQOFENYKIKZDB-UHFFFAOYSA-N 428.239 3.632 5 50 IHBA O=C1C[C@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 731586201 URCJELNVVNXKPX-LBPRGKRZSA-N 435.814 3.859 5 50 IHBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1184012 NVQVGGUBINGHKZ-KRWDZBQOSA-N 445.273 3.932 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 823187 FFNOCMONTDMZEI-MRXNPFEDSA-N 431.246 3.624 5 50 IHBA Cc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1[N+](=O)[O-] 2872025 GUEXVAVJYBSQPJ-UHFFFAOYSA-N 430.511 3.811 5 50 IHBA Cc1c(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c(=O)n(-c2ccccc2)n1C 1210800 GFRWVPBGUZKFNJ-ATVHPVEESA-N 436.449 3.634 5 50 IHBA CCOC(=O)c1ccc(N2C(=O)[C@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 12410952 IUNJKFPSVOMUDO-SJLPKXTDSA-N 443.506 3.519 5 50 IHBA C[C@H](CC(=O)N1CCC[S@](=O)(=NC(=O)c2csc([N+](=O)[O-])c2)CC1)c1ccccc1 2332238173 CUZLVFYLSWNTFD-DHMKHTPVSA-N 449.554 3.691 5 50 IHBA CCOC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OCC 2931716 BZAYIUFCXAOJMR-UHFFFAOYSA-N 429.425 3.692 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccccc1Cl 9892080 JIAGYABXKFVHCL-UHFFFAOYSA-N 439.324 3.739 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(Cc2cccc3ccccc23)CC1 10077066 HAQVUGIMKMDKJV-UHFFFAOYSA-N 448.523 3.903 5 50 IHBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100983200 YNAIEPAFJVWFQH-BIPCEHGGSA-N 437.839 3.812 5 50 IHBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 995805 PHPUSJIENKCUOO-UHFFFAOYSA-N 440.909 3.897 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 13955054 WESMCYOHVNPZNE-UHFFFAOYSA-N 445.387 3.654 5 50 IHBA O=c1[nH]c2cc3c(cc2cc1-c1c2cn[nH]c2nc2c1oc1cc(O)ccc12)OCCO3 217832532 UHKYOWBTPKKSIE-UHFFFAOYSA-N 426.388 3.843 5 50 IHBA biogenic COc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC 55543667 BAGNGDCFQHMIIM-UHFFFAOYSA-N 425.407 3.953 5 50 IHBA CCNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 9971932 PFIMKSIWLSHXQM-UHFFFAOYSA-N 433.306 3.752 5 50 IHBA O=C(O)c1ccc(C(F)(F)C(F)(F)c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 25504011 IODXUAPUXYLIES-UHFFFAOYSA-N 432.238 3.783 5 50 IHBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 37867253 AMRPUWHNUVBZSW-UHFFFAOYSA-N 442.419 3.576 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1 805468 MJTIWIXPPRJDQC-UHFFFAOYSA-N 432.479 3.537 5 50 IHBA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 16394049 PSNZJDMTIZRYES-UHFFFAOYSA-N 441.465 3.722 5 50 IHBA CCOc1cc(C=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1205396 JOOSZYGCFOJAEZ-UHFFFAOYSA-N 427.194 3.990 5 50 IHBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1C 12462241 HTOOEHWYLAQZLF-RQZCQDPDSA-N 427.438 3.592 5 50 IHBA Cc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754948 OJZVMQDRRUQCDT-NRFANRHFSA-N 429.432 3.749 5 50 IHBA Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 1173197 PBLVVBGEOVCVLV-UHFFFAOYSA-N 432.465 3.764 5 50 IHBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCOCC1 2220890 HPSFKBXHWWWCSD-SOFGYWHQSA-N 446.916 3.611 5 50 IHBA CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)CC1 16213060 NVRVDCGVGOXEBY-UHFFFAOYSA-N 437.905 3.921 5 50 IHBA C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)C(=O)c1ccccc1 971822 LOMJLBFVWCQLKS-AWEZNQCLSA-N 444.399 3.824 5 50 IHBA CC(C)(C)C1CCC(CC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1 1875332695 FNPSPQUXAVDJES-UHFFFAOYSA-N 431.942 3.878 5 50 IHBA CC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 1158480 OHWJYMZSLBMNKV-VUUXHMSQSA-N 438.439 3.674 5 50 IHBA O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 16977099 REECVWAIODRLCS-UHFFFAOYSA-N 443.510 3.748 5 50 IHBA CCSc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1 40398924 JHCIEYORXOFZPZ-UHFFFAOYSA-N 448.552 3.821 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2854583 LBAHFBKRIJXEOQ-AWEZNQCLSA-N 437.905 3.596 5 50 IHBA CC(C)CNC(=O)c1cc(C(=O)NCC(C)C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 12382275 VNOJRIQWJBSVHK-UHFFFAOYSA-N 440.500 3.619 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F 1135306 IDCFDGCGSOWJLK-UHFFFAOYSA-N 447.419 3.707 5 50 IHBA COC(=O)Cc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)c(C)c2oc1=O 1900379 POEGLRCQZJARNU-UHFFFAOYSA-N 427.409 3.621 5 50 IHBA biogenic O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16319399 QKVQZYIBRKQYAR-UHFFFAOYSA-N 435.736 3.906 5 50 IHBA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1116299 UKHOGZGGOUITPE-UHFFFAOYSA-N 435.502 3.666 5 50 IHBA COc1ccc(N(C)S(=O)(=O)c2cc3c(=O)nc4cc(C)ccn4c3cc2Cl)cc1 12463179 JJHPDGNOFRRUAB-UHFFFAOYSA-N 443.912 3.643 5 50 IHBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 2812940 LEIHYVQMDLESNH-UHFFFAOYSA-N 441.465 3.792 5 50 IHBA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 2993103 DLDYLEMTDXIVQY-DEOSSOPVSA-N 432.432 3.611 5 50 IHBA Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 9601356 BNQZBCLGRKMJRL-UHFFFAOYSA-N 427.486 3.650 5 50 IHBA Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1 1197027 JUWKUKCVGVDZIW-UHFFFAOYSA-N 446.506 3.845 5 50 IHBA O=C(OCc1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1 2275213 XRZMUXYCGBQEEF-UHFFFAOYSA-N 437.364 3.612 5 50 IHBA CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 12412632 VFEUQSFMTPCUMH-GOSISDBHSA-N 432.521 3.570 5 50 IHBA CC1CCN(c2cc(N3CCN(C(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 5073413 RGVMNSOSZHVKBN-UHFFFAOYSA-N 426.492 3.933 5 50 IHBA CCOC(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1903815 NHVMQSGKDPAWIB-MDZDMXLPSA-N 432.454 3.970 5 50 IHBA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 675475 PWWVPHVUAJFJSJ-UHFFFAOYSA-N 425.466 3.668 5 50 IHBA CCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2905409 DDIMBUJODYFJSU-GFCCVEGCSA-N 443.740 3.502 5 50 IHBA CCN(CC)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1 16115147 NSEGUAHMULYGLF-QGOAFFKASA-N 446.301 3.997 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 1068609 GUCSMUWHJDJKJA-UHFFFAOYSA-N 428.239 3.632 5 50 IHBA CCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1137371 MGKPXKLRTBGVIA-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 1157089 UJDJMLHMUZJUAZ-UHFFFAOYSA-N 428.422 3.959 5 50 IHBA Cc1ccc(C(=O)O)cc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1085694 KNWLZLMPOSAADI-UHFFFAOYSA-N 430.372 3.633 5 50 IHBA CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1234980 LUMIFOOVPDLHMF-UHFFFAOYSA-N 430.372 3.552 5 50 IHBA O=c1/c(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 9311747 DGEYHVWAPMPMKF-BKUYFWCQSA-N 429.457 3.944 5 50 IHBA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 10060525 NWMQWSAFSPBBSE-UHFFFAOYSA-N 433.445 3.981 5 50 IHBA O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 16448772 LQFYXKMHYVFFSP-UHFFFAOYSA-N 430.464 3.810 5 50 IHBA Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(C3CCCC3)c2=N)cc1 100628543 MCRZQBKFGLDKRK-UHFFFAOYSA-N 448.548 3.693 5 50 IHBA Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)c1 137795296 QCMIGTMWYPLPKM-FDFHNCONSA-N 429.432 3.954 5 50 IHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 17094765 COWGWVRABVSRIP-UHFFFAOYSA-N 426.376 3.659 5 50 IHBA CCCCNc1nnc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)s1 1321414546 IXNQWNKCANPASH-UHFFFAOYSA-N 443.576 3.594 5 50 IHBA O=c1c2cc(Cl)ccc2ncn1Cc1ccc(I)cc1[N+](=O)[O-] 2529397 HODBUFDDMREPHX-UHFFFAOYSA-N 441.612 3.611 5 50 IHBA Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 990373 CFKWYTPMTIGOFV-UHFFFAOYSA-N 444.399 3.744 5 50 IHBA COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccccc2)cc1 13375933 DDIOCCBYEJSFQN-PXLXIMEGSA-N 431.448 3.691 5 50 IHBA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1[N+](=O)[O-] 1134227 HCZUUOWXMGIFLD-UHFFFAOYSA-N 439.493 3.677 5 50 IHBA C[C@@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2(O)C1 252441512 ZSDBUJBJWGVNKA-CRUBELCKSA-N 446.652 3.790 5 50 IHBA COc1ccc(-c2noc([C@@H](NC(=O)COc3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 334161340 AIECEKWJZLFXHY-IBGZPJMESA-N 426.429 3.546 5 50 IHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 792978 AYSNUGQUKSMWHX-GJZGRUSLSA-N 431.514 3.822 5 50 IHBA CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1069622 JFQBCFZHRXSLOQ-LJQANCHMSA-N 427.482 3.699 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl 9892079 UPQUWTDKNJHSSP-UHFFFAOYSA-N 439.324 3.739 5 50 IHBA COC(=O)c1c(C(=O)OC)c2ccc3ccccc3n2c1C(=O)c1cccc([N+](=O)[O-])c1 2529442 BGMMGFHRDDQWEC-UHFFFAOYSA-N 432.388 3.805 5 50 IHBA COC(=O)c1c(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc(C)c1C 16346073 JTPWOAGYPUVTKE-UHFFFAOYSA-N 434.543 3.579 5 50 IHBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl 16400000 MEHWIJCFKGRBON-UHFFFAOYSA-N 444.875 3.760 5 50 IHBA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14009741 MCVWFHAQQCCHPT-RUDMXATFSA-N 436.287 3.892 5 50 IHBA O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1 9318487 LHPSTWBNNOULHF-UHFFFAOYSA-N 443.510 3.748 5 50 IHBA CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158756 BJGKOHCSGWDGNZ-UWJYYQICSA-N 445.855 3.957 5 50 IHBA N=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1c1nonc1N 8846331 PIHRVGRLFMOFJQ-JCHXBZGZSA-N 432.805 3.529 5 50 IHBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1 36188477 WINOJKBZEGAHCE-UHFFFAOYSA-N 429.542 3.628 5 50 IHBA COc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 1153914 AOVSOIGLFRLHDO-UHFFFAOYSA-N 434.404 3.895 5 50 IHBA C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 9630783 MZFOAPQERVQLIZ-HNNXBMFYSA-N 425.466 3.887 5 50 IHBA CCCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 1124543 KURDGCSNEFGCAO-IBGZPJMESA-N 433.258 3.575 5 50 IHBA CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCOc2ccccc2)=C1C 2757454 HRYONXURNJUTGX-FQEVSTJZSA-N 425.441 3.577 5 50 IHBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccc(F)cc1 9371531 FHRKAGHNUHKFDK-UHFFFAOYSA-N 448.362 3.574 5 50 IHBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 8455526 MBOPZQVWRXHYQC-GOSISDBHSA-N 434.412 3.711 5 50 IHBA O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 12655228 CLFRROAJRVWTCT-MOSHPQCFSA-N 431.404 3.703 5 50 IHBA CCOC(=O)C[C@H](NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 1772491230 WWALEIUJVHYBOH-KRWDZBQOSA-N 442.497 3.682 5 50 IHBA Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 627686 YEWNXKBOSWRTFV-UHFFFAOYSA-N 437.473 3.529 5 50 IHBA CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 2978556 BBUAMDXNPZRVDW-UHFFFAOYSA-N 432.483 3.739 5 50 IHBA CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@H](C)C2 845103 QIEPPWGIGUQEAL-VIFPVBQESA-N 440.909 3.755 5 50 IHBA O=C(NC1CCCCC1)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12291872 UAGJVEOCGVGSJU-UHFFFAOYSA-N 426.498 3.784 5 50 IHBA Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 9591755 FOWLIEXOXJAWKX-AWEZNQCLSA-N 433.258 3.762 5 50 IHBA COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 13303403 AHJOGLAIFOMCPJ-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 2984812 DBJKTKCDLSQGBV-UHFFFAOYSA-N 436.420 3.901 5 50 IHBA Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 8385426 NABDEIYGHUFNNV-UHFFFAOYSA-N 434.905 3.520 5 50 IHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl 8867910 HXGMTZWMLHUKLN-UHFFFAOYSA-N 439.965 3.523 5 50 IHBA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 16226769 ZXVRVYZZGLLPHD-UHFFFAOYSA-N 430.892 3.794 5 50 IHBA CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 1061874 USSXEFYTIVXQQH-UHFFFAOYSA-N 427.486 3.824 5 50 IHBA Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)o2)c(C)c1[N+](=O)[O-] 2786205 VHJIIUYAAXOWEX-UHFFFAOYSA-N 438.419 3.686 5 50 IHBA Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2980455 DTFKSASOLJARGT-QFIPXVFZSA-N 446.459 3.670 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 9287734 ALILAWFAPCZQHJ-UHFFFAOYSA-N 435.392 3.563 5 50 IHBA O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)[C@@H]2CCCC[C@@H]12 169697147 MZANFQNQIXOJOX-WOJBJXKFSA-N 430.482 3.909 5 50 IHBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2)CC1 4120498 QSOFWYKLHNGPFW-UHFFFAOYSA-N 440.500 3.695 5 50 IHBA CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16192400 HDFZTZJTLZWNTO-GOSISDBHSA-N 430.848 3.914 5 50 IHBA CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@@H](C)C1 4844916 BBSNHTAYEHBSKS-IRXDYDNUSA-N 427.567 3.511 5 50 IHBA Cc1nn(C(C)(C)C)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 2848134 QHDLSKULUKSCQV-UHFFFAOYSA-N 443.481 3.907 5 50 IHBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122617 WALFBUYALHPMMG-UHFFFAOYSA-N 430.892 3.937 5 50 IHBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 14186301 YTRSYHGKFWQPPQ-UHFFFAOYSA-N 439.493 3.677 5 50 IHBA O=C(O)COc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 9309969 XVOFSSVDBVXAGX-UHFFFAOYSA-N 434.360 3.651 5 50 IHBA C[C@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)c1ccccc1 9360849 ZJUYODVCEGAIGM-INIZCTEOSA-N 428.448 3.849 5 50 IHBA COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 16182824 JAZPEBDTCKTFOR-UHFFFAOYSA-N 434.404 3.895 5 50 IHBA Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O 1120112 MDFJQWLDINJYIH-UHFFFAOYSA-N 444.399 3.744 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1F 15821331 HMWXGYRKCGTXFL-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 16115571 YKBDHAKTOGKJJY-UHFFFAOYSA-N 445.884 3.979 5 50 IHBA Cc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 143600415 FKUSPIUAIQCNHS-YTFSRNRJSA-N 443.459 3.950 5 50 IHBA CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 12284761 HRQWFZWSOXSGPM-UHFFFAOYSA-N 447.252 3.569 5 50 IHBA O=C(NCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 15685666 KRJRRNILAMJOFW-UNOMPAQXSA-N 425.828 3.929 5 50 IHBA CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 230168024 PUHYDEUYLPJYDX-IFMALSPDSA-N 445.541 3.958 5 50 IHBA Cn1c(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)nc2ccccc21 2798949 RIJZHAPUTIBCTA-UHFFFAOYSA-N 426.820 3.620 5 50 IHBA COc1ccc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c([N+](=O)[O-])c1 8717317 FVLPJQNNHNXUTC-UHFFFAOYSA-N 436.449 3.681 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] 8916902 KKUINXMATUTGHL-UHFFFAOYSA-N 449.448 3.933 5 50 IHBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccc2c(c1)OCO2 2890893 GIEOFDABPVHFER-UHFFFAOYSA-N 429.479 3.856 5 50 IHBA COc1ccccc1N1C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C1=O 101084027 ZGJQSPINOPAOTC-BHDDXSALSA-N 445.431 3.655 5 50 IHBA CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2I)C1 170595092 XWBQMZJJOXQENO-QWRGUYRKSA-N 434.299 3.946 5 50 IHBA CCc1cc(I)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] 1112390 HXKIVCLZCFZPEL-UHFFFAOYSA-N 426.210 3.779 5 50 IHBA O=C(COC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc(F)cc1 1153796 VQLNXDLVKSQTJR-UHFFFAOYSA-N 448.362 3.574 5 50 IHBA Cc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c1 9805889 WKGAXMQZURFHQM-UHFFFAOYSA-N 438.303 3.866 5 50 IHBA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 20602692 HJKKAKOOIMIKRK-UHFFFAOYSA-N 428.514 3.553 5 50 IHBA Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC4(C3)CC(C)(C)C4)C2)C1 1875336882 ORBVGTUHCQGLPZ-MSOLQXFVSA-N 443.592 4.000 5 50 IHBA COc1ccc(Br)cc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] 15746501 ZLRUHGKYMDRXCW-UHFFFAOYSA-N 428.670 3.861 5 50 IHBA O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)N1CCC(Oc2ccccc2)CC1 253417981 JQCLATUFYGAURA-UHFFFAOYSA-N 442.859 3.823 5 50 IHBA O=C(Nc1ccc(C(=O)O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 12655226 NGSCNXKNGBGOTK-ZHZULCJRSA-N 431.404 3.703 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCN(c2ccccc2Cl)CC1 240412644 FNNUOFUGPNUQCT-HNNXBMFYSA-N 432.908 3.796 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 9933442 UKGMMAKTHWUPPX-JOCHJYFZSA-N 435.524 3.928 5 50 IHBA COc1ccc(Cl)cc1NC1=NC(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)S1 1131848 PPNBLTFWTSSTID-HNNXBMFYSA-N 434.861 3.696 5 50 IHBA Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 16425877 JZCBRSSFEBIDMA-UHFFFAOYSA-N 429.484 3.667 5 50 IHBA O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 19863738 STRIQWYADOSRJW-UHFFFAOYSA-N 427.844 3.848 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 1120065 INYIYMNZDNWWEK-UHFFFAOYSA-N 447.419 3.707 5 50 IHBA CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 8857501 NEJHKDNYFOCALT-UHFFFAOYSA-N 432.521 3.994 5 50 IHBA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 9664217 AVVZHCDBCCIGJC-UHFFFAOYSA-N 427.486 3.536 5 50 IHBA CCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 1190624 PZQDIQULBGDZJG-KRWDZBQOSA-N 425.426 3.791 5 50 IHBA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 2991833 SDLXZYCSDHMPCI-UHFFFAOYSA-N 438.874 3.758 5 50 IHBA COc1cc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC 15684924 OGJIYDXIQGRMCU-UHFFFAOYSA-N 439.434 3.949 5 50 IHBA Cc1ccc(S(=O)(=O)N(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 34445086 YWCUXPDVLUPWMB-UHFFFAOYSA-N 446.506 3.796 5 50 IHBA CC(C)(C)CNc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 9891930 AIADQSQEMROWLL-UHFFFAOYSA-N 432.546 3.564 5 50 IHBA O=C(c1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1)N1CC[C@](O)(Cc2cccc(F)c2)C1 1875254821 SUAQXJSDNIPXIH-QHCPKHFHSA-N 437.427 3.741 5 50 IHBA C[C@@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 19418212 UFWACGHASKRRJQ-OQOKOFKUSA-N 428.577 3.726 5 50 IHBA Cc1cc(Br)ccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 1430648 GVDYLQHGWQZKGL-UHFFFAOYSA-N 432.072 3.572 5 50 IHBA CCOc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2309840 XNHMBUAQJCLCJZ-UHFFFAOYSA-N 433.467 3.535 5 50 IHBA COc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c([N+](=O)[O-])c1 2849809 WKBALRUWGQMVRB-UHFFFAOYSA-N 438.259 3.715 5 50 IHBA COc1ccc(Br)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9246725 GEOYGOCXMXEGQO-XNWCZRBMSA-N 446.301 3.728 5 50 IHBA O=C(O)CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(Br)cc1 15240324 MQTVOMDRBQGWJG-KRWDZBQOSA-N 446.257 3.900 5 50 IHBA CCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1137083 JOASGVSDRPRZKI-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl 2779988 NNTZYWPRJBXRQQ-UHFFFAOYSA-N 438.874 3.758 5 50 IHBA O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] 1173745 WSDGUEHOQDPRRN-UHFFFAOYSA-N 436.428 3.595 5 50 IHBA Cc1cc(I)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 1166618 NEHNITRMOHQBQD-UHFFFAOYSA-N 441.250 3.635 5 50 IHBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1 2828490 ROSYYAAUDPWNDJ-UHFFFAOYSA-N 436.833 3.598 5 50 IHBA O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 2841416 PLOSLTQEIKJCHD-JOCHJYFZSA-N 431.448 3.891 5 50 IHBA O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 101128310 NMQOMYJYGUEZAJ-CQSZACIVSA-N 428.754 3.516 5 50 IHBA C[C@H](OC(=O)Cc1cccc(OCc2cccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 771146598 FXWURXKSZOEUHD-INIZCTEOSA-N 435.436 3.682 5 50 IHBA COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 1131897 MOUJGKHVVIFSMH-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878113 JDWHYUXNXLFGCZ-JTQLQIEISA-N 427.741 3.740 5 50 IHBA O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 100713098 JZKWMYLBDZSCOC-BHDDXSALSA-N 429.432 3.642 5 50 IHBA Cc1cc2nc3s/c(=C\c4ccc(Br)c([N+](=O)[O-])c4)c(=O)n3c2cc1C 2915039 ZEYARYMLVOARDQ-PXNMLYILSA-N 430.283 3.744 5 50 IHBA COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110320554 VVENARZEZDXIQM-IBGZPJMESA-N 445.903 3.828 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 757973 QYHNBWAIMRRWQY-MRXNPFEDSA-N 447.314 3.789 5 50 IHBA CCN(CC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Br)c1 3000083 GNKPSQROFQEDHV-PDGQHHTCSA-N 446.301 3.997 5 50 IHBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100722385 XFLYLUWAQGFVEE-BHIFYINESA-N 429.432 3.954 5 50 IHBA CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21 100633091 FOBYVWQBFGEOAL-CYBMUJFWSA-N 442.928 3.586 5 50 IHBA O=C(CSc1nnc(Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NCc1ccco1 1125266 PVUZWGBGFQBGBE-UHFFFAOYSA-N 449.492 3.768 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1F 1171511 FMEJEGNVTXGALZ-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)cc3C)c2)CC1 9934623 ILPCLPQNMQAFGC-UHFFFAOYSA-N 449.511 3.677 5 50 IHBA COC(=O)C1=CN(c2ccc(F)c(F)c2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1141050 JDIFLDUKAOSEJK-UHFFFAOYSA-N 444.390 3.899 5 50 IHBA O=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 16320107 WRLPAJSVEZEVFJ-UHFFFAOYSA-N 431.448 3.915 5 50 IHBA Cc1ccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)[C@H]3C[C@]3(C)C(C)C)CC2)cc1[N+](=O)[O-] 2332239103 WVEKBOJCRAIGTO-HQDYDAOOSA-N 449.573 3.814 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 893023 MTSKRMDQMQMENG-UHFFFAOYSA-N 429.476 3.711 5 50 IHBA COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C 1162365 DZRULDWXICEXCP-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA Cc1ccccc1OCC(=O)Nc1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 754618 WQOKFPUVYOIAQV-UHFFFAOYSA-N 431.404 3.721 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 2814470 POIYIIAJQDOHJR-UHFFFAOYSA-N 443.525 3.797 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1ccc([N+](=O)[O-])cc1 1167713 YVCPYIDLYRXWFO-HNNXBMFYSA-N 429.498 3.696 5 50 IHBA C[C@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6cc([N+](=O)[O-])cn6)o5)nc4c23)C1 2789996 KIYSXTRIIAVPEH-NSHDSACASA-N 435.469 3.877 5 50 IHBA Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 2985822 ZOXSZOXTWJUQLS-UHFFFAOYSA-N 449.257 3.811 5 50 IHBA Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1154873 UMWBYWOUAFKLHC-UHFFFAOYSA-N 439.493 3.733 5 50 IHBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9971817 RLGCTRLQSBHZJA-UHFFFAOYSA-N 436.468 3.771 5 50 IHBA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c(C)c1 1118173 IACBBCKVVZTNCG-UHFFFAOYSA-N 445.541 3.868 5 50 IHBA COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 226990470 GFEQTTSYRQKZLP-BHDDXSALSA-N 445.431 3.655 5 50 IHBA CC(C)(C(=O)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)n1cc([N+](=O)[O-])cn1 2805284 YJTNOAAEWWTFDD-UHFFFAOYSA-N 441.250 3.856 5 50 IHBA CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 2360456 MVJFAFAERSELIL-UHFFFAOYSA-N 432.816 3.596 5 50 IHBA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2800636 UXUPRCSMKFICIL-MRXNPFEDSA-N 428.319 3.834 5 50 IHBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N2C(=O)CCSC2=N1 2502911 HFSFOKYYYAENHW-FQEVSTJZSA-N 437.477 3.988 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 9891910 UYLQSKWUDYXBMV-UHFFFAOYSA-N 430.313 3.721 5 50 IHBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100983204 YNAIEPAFJVWFQH-OYUDYFSCSA-N 437.839 3.812 5 50 IHBA C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1 252694912 RTQDXHMAHWNJLQ-SIDOSKNHSA-N 445.644 3.899 5 50 IHBA biogenic O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(Cl)cc1 15799560 YWPWWQQWLPIZDB-UHFFFAOYSA-N 439.324 3.739 5 50 IHBA O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 19790789 NMWHDRQDKNXIMS-UHFFFAOYSA-N 444.491 3.805 5 50 IHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 18080844 AYSNUGQUKSMWHX-GASCZTMLSA-N 431.514 3.822 5 50 IHBA Cc1nn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731060 OMGGAYSQWWWZPV-UHFFFAOYSA-N 430.881 3.641 5 50 IHBA O=C(c1c(F)cccc1F)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 15724093 KTDQLLQUYBNDFE-UHFFFAOYSA-N 434.418 3.575 5 50 IHBA COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 1150492 NELMJESBALFIGL-RUZDIDTESA-N 446.459 3.653 5 50 IHBA C[C@@](N)(C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 1875335052 QUJNQGJJGXOUII-HKUYNNGSSA-N 442.274 3.815 5 50 IHBA CCOc1ccc2nc(N3C[C@H](C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3=O)sc2c1 9591738 VOGRPUXBZBTKRQ-CQSZACIVSA-N 441.465 3.700 5 50 IHBA COc1cc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 1122249 URCMOIZXSVZDFC-GOSISDBHSA-N 446.847 3.532 5 50 IHBA Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 8690003 POEFHTKGXYIDPN-UHFFFAOYSA-N 446.459 3.577 5 50 IHBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 498091452 IFEZEKLUNODRJP-WAIKUNEKSA-N 434.442 3.767 5 50 IHBA Cc1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 1078287 IQOIPHYEKVMUBO-UHFFFAOYSA-N 443.456 3.876 5 50 IHBA COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC 2999569 XIAKSLYPXWYNPH-UHFFFAOYSA-N 444.494 3.862 5 50 IHBA Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(C4CCCCC4)c3nc12 100628904 CCARVIMNFBVACB-UHFFFAOYSA-N 448.548 3.775 5 50 IHBA COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1)N(C)C 170621888 PXFTWWIUDGPWRJ-KRWDZBQOSA-N 437.504 3.742 5 50 IHBA COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 4089710 FWWPJLWFNCSXKF-UHFFFAOYSA-N 440.437 3.576 5 50 IHBA COCCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(O)cc12 8783283 PYDVRIZJUBOFJF-UHFFFAOYSA-N 427.457 3.869 5 50 IHBA biogenic,in-vitro COC(=O)C[C@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 170608919 AZMDFJZSQVVNSJ-QFIPXVFZSA-N 429.448 3.542 5 50 IHBA Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1F 170616553 DXMGEIPVSPIJKD-INIZCTEOSA-N 441.371 3.763 5 50 IHBA CC(C)(C)NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)NC(C)(C)C)c1 819794 LKQQSVRMNFZMAB-UHFFFAOYSA-N 440.500 3.904 5 50 IHBA COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c(OC)c1OC 4290547 NSYKLKPFFRZTJY-UHFFFAOYSA-N 425.235 3.944 5 50 IHBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(OC)cc1 9805405 UMXHYXLXRMVEJC-UHFFFAOYSA-N 427.486 3.921 5 50 IHBA COc1c(F)c(F)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(F)c1F 14271915 CARJFGTVBVXITG-UHFFFAOYSA-N 447.772 3.776 5 50 IHBA CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 14152388 DLEBPQFTQNASIE-UHFFFAOYSA-N 429.458 3.518 5 50 IHBA COC(=O)c1c(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)sc(C)c1C 2795449 DBMZPSVBEWWHRE-UHFFFAOYSA-N 428.470 3.865 5 50 IHBA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16447658 RJAKEOVBFQCXPS-UHFFFAOYSA-N 445.435 3.887 5 50 IHBA O=C(CCc1ccccc1)Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1 2842220 OYNOPUCSZSEKBY-UHFFFAOYSA-N 428.495 3.993 5 50 IHBA COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 9234960 JGDDRCWCRIXZJK-PKNBQFBNSA-N 445.431 3.883 5 50 IHBA CCn1c(=O)n(CC)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(Br)cc21 16425811 OZBVNHZSCAGONE-UHFFFAOYSA-N 433.262 3.766 5 50 IHBA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 674297 OSURTVGCMGKEPK-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl 1124584 DRAWHVBYIPJXJI-UHFFFAOYSA-N 443.268 3.772 5 50 IHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6229113 YJFQBRMPAWJHEY-BJMVGYQFSA-N 430.467 3.504 5 50 IHBA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 12379440 ZZORASYJDZPFTH-UHFFFAOYSA-N 434.452 3.776 5 50 IHBA O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc([N+](=O)[O-])ccc1N1CCOCC1 8781113 BKPNSAGHGXNFTN-UHFFFAOYSA-N 428.448 3.798 5 50 IHBA COC(=O)C1(C(=O)OC)[C@H](/C=C/c2cccc([N+](=O)[O-])c2)[C@]1(C)C(=O)c1ccc(C)cc1 13514135 FQXIZKVQUHAIJM-VHHYPFNNSA-N 437.448 3.768 5 50 IHBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc2[N+](=O)[O-])n1 9601738 KPAMSKSRVOVSBW-DHZHZOJOSA-N 431.496 3.759 5 50 IHBA O=[N+]([O-])c1nc(Sc2nnnn2-c2cccc3ccccc23)n(Cc2ccccc2F)n1 1427053 ODDKPPVIRARSSP-UHFFFAOYSA-N 448.443 3.654 5 50 IHBA COc1ccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)c([N+](=O)[O-])c1 8863544 QFUZHGWIMLMGCQ-UHFFFAOYSA-N 425.401 3.518 5 50 IHBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Br)cn2)o1 1001998 HPSXPKYEYZRSJE-UHFFFAOYSA-N 440.641 3.804 5 50 IHBA CC1(C)CC(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)CC(C)(C)N1 2799701 KAKRZLUMORKIKW-UHFFFAOYSA-N 435.912 3.520 5 50 IHBA O=C(Nc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)c1ccccc1 9805847 VOFROSCWMSSPJX-UHFFFAOYSA-N 430.464 3.810 5 50 IHBA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 6491938 FXCXXDDVVSINKG-WOJGMQOQSA-N 442.449 3.773 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 8453613 CJBVFLOJHXWIEH-UHFFFAOYSA-N 449.838 3.778 5 50 IHBA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12860955 IGCPJSYQHCVLDB-UHFFFAOYSA-N 445.435 3.887 5 50 IHBA COc1nn(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1[N+](=O)[O-] 2786885 RKHJOPWESJOQCE-NSHDSACASA-N 441.517 3.652 5 50 IHBA COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1OC 1157878 RCCOKZZPFCFMGK-MHWRWJLKSA-N 430.438 3.857 5 50 IHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(ON(c2ccccc2)c2cc(O)ccc2O)c([N+](=O)[O-])c1 104259889 KBOKDXUROZAOOS-UHFFFAOYSA-N 428.313 3.955 5 50 IHBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101906291 YNAIEPAFJVWFQH-MBZVMHRFSA-N 437.839 3.812 5 50 IHBA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 9262266 CIICYIPHMRUKSW-FHXOWUIVSA-N 442.449 3.772 5 50 IHBA O=C(c1ccc(Br)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 9541864 PLZLYBQALWBQPC-UHFFFAOYSA-N 447.314 3.929 5 50 IHBA COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 2851311 LOVBSRWBIXKBAG-GOSISDBHSA-N 428.828 3.936 5 50 IHBA O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 444843099 AACUBDWMJZRNPY-UHFFFAOYSA-N 447.441 3.558 5 50 IHBA Cc1nc2ccc(I)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl 723592 MSAJMOFVJLYZAT-UHFFFAOYSA-N 441.612 3.860 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 16448088 OBERWSXWVGQVOR-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1)OCc1ccccc1 22130676 GYHNBMBPGWMVDK-QFIPXVFZSA-N 433.464 3.749 5 50 IHBA CCCCN1C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968620 JPFAGBAZQUWDQJ-IPMKNSEASA-N 429.860 3.895 5 50 IHBA CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1OC 446438145 GXCAXRSIIWFGQG-UHFFFAOYSA-N 441.415 3.604 5 50 IHBA COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 1162274 GSDSCGYIMGDFGQ-UHFFFAOYSA-N 426.450 3.948 5 50 IHBA O=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 16320027 CEOYVTMSXDDPKI-UHFFFAOYSA-N 431.448 3.915 5 50 IHBA COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 226983732 SCCPQDAGFFQDBE-BHDDXSALSA-N 445.431 3.655 5 50 IHBA O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 2841415 PLOSLTQEIKJCHD-QFIPXVFZSA-N 431.448 3.891 5 50 IHBA CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 229417518 PUHYDEUYLPJYDX-RBBKRZOGSA-N 445.541 3.958 5 50 IHBA CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 12412634 VFEUQSFMTPCUMH-SFHVURJKSA-N 432.521 3.570 5 50 IHBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1CCc1ccccc1 230054762 PPESFDLYJBTIRA-GBXCKJPGSA-N 448.479 3.658 5 50 IHBA COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cc([N+](=O)[O-])ccc3OC)cc2oc1=O 9328941 NMDLFRTVOPFHJC-UHFFFAOYSA-N 447.827 3.966 5 50 IHBA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1 247331457 OYYRYRGCYOYKDO-WBADGQHESA-N 427.460 3.656 5 50 IHBA Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] 10059728 FBWAXEVQMWUYBE-UHFFFAOYSA-N 439.493 3.976 5 50 IHBA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 12410953 IUNJKFPSVOMUDO-WMZOPIPTSA-N 443.506 3.519 5 50 IHBA COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 13324436 MDQJGWARNBRSMA-UHFFFAOYSA-N 434.880 3.615 5 50 IHBA CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 217711208 HBIYUJWQOMLMIR-ZHRMCQFGSA-N 446.438 3.505 5 50 IHBA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 9262269 CIICYIPHMRUKSW-VBEHJTROSA-N 442.449 3.772 5 50 IHBA C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 9630784 MZFOAPQERVQLIZ-OAHLLOKOSA-N 425.466 3.887 5 50 IHBA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 227144235 DCFDIKQPBLEYAA-OAQYLSRUSA-N 446.500 3.749 5 50 IHBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCCC2 1067917 TZAINAAUOWJSTR-UHFFFAOYSA-N 440.481 3.819 5 50 IHBA CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1126240 MLFNRWCFTKFFSM-UHFFFAOYSA-N 439.493 3.991 5 50 IHBA CCOC(=O)C[C@@H](NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 1772491231 WWALEIUJVHYBOH-QGZVFWFLSA-N 442.497 3.682 5 50 IHBA COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 1170530 LIZRUJPNPOJRHD-UHFFFAOYSA-N 433.424 3.663 5 50 IHBA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 856219 AKPGLTWJADVPKE-QGZVFWFLSA-N 446.257 3.900 5 50 IHBA COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 16447393 AZWOHWBDENNOGW-UHFFFAOYSA-N 429.410 3.849 5 50 IHBA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 675477 ZBVCRPZJXGSKRI-UHFFFAOYSA-N 425.466 3.668 5 50 IHBA COc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1135923 ZJURUSMRBKOMNZ-UHFFFAOYSA-N 432.388 3.761 5 50 IHBA COc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 2972109 ZSHASBLFRUPYCR-UHFFFAOYSA-N 440.437 3.576 5 50 IHBA Cc1cc(I)ccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 1428856 NHUVBZFUCBSWTA-UHFFFAOYSA-N 442.257 3.740 5 50 IHBA COc1ccc(NC(=O)c2ccccc2O[C@H](C)C(=O)Nc2nccs2)c([N+](=O)[O-])c1 12380989 YRHOQQGTIPHMID-GFCCVEGCSA-N 442.453 3.718 5 50 IHBA Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 1141842 ZKJZCLQHBLMFOZ-UHFFFAOYSA-N 449.419 3.871 5 50 IHBA Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 1875260706 XVEZELJXIBGXSE-INIZCTEOSA-N 429.542 3.816 5 50 IHBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 8455525 MBOPZQVWRXHYQC-SFHVURJKSA-N 434.412 3.711 5 50 IHBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19597029 JZVWETSRHQUCLJ-UHFFFAOYSA-N 437.521 3.691 5 50 IHBA Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 2858745 STCPWBRKDJVBKK-UHFFFAOYSA-N 443.456 3.876 5 50 IHBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4143283 RDHDREPOQWCQPD-UHFFFAOYSA-N 431.901 3.912 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 9056780 CMRRFJPITVNQLI-UHFFFAOYSA-N 444.296 3.938 5 50 IHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 101127844 MFQIGIHBSNRMFX-RTBURBONSA-N 448.479 3.519 5 50 IHBA COC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@@H](c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC 230071876 CKXDGJUGYNDOKK-WOUAJJJCSA-N 440.408 3.519 5 50 IHBA Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1F 170616554 DXMGEIPVSPIJKD-MRXNPFEDSA-N 441.371 3.763 5 50 IHBA COc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl 9234856 TYUISJRCWHEEKE-FNORWQNLSA-N 447.806 3.522 5 50 IHBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 1125207 XUAAARUGHWFEMU-UHFFFAOYSA-N 425.462 3.855 5 50 IHBA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 137393474 SJZVHCSHLUOAHU-FDFHNCONSA-N 445.431 3.655 5 50 IHBA COC(=O)C[C@@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 170608917 AZMDFJZSQVVNSJ-JOCHJYFZSA-N 429.448 3.542 5 50 IHBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1152596 HDVQOIFKYIETAP-UHFFFAOYSA-N 425.466 3.737 5 50 IHBA Cc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 1172197 ODVQDGVRTUNJFX-UHFFFAOYSA-N 432.465 3.764 5 50 IHBA CC(C)CC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878119 MSPDJEAUQDFYKH-LBPRGKRZSA-N 427.741 3.740 5 50 IHBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN2CCCCCC2)c1 16286060 GBPJSJJQUMGQKN-UHFFFAOYSA-N 426.473 3.670 5 50 IHBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 8666797 IUASUIIGFJBXKQ-UHFFFAOYSA-N 441.893 3.540 5 50 IHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1875389404 NHIZQLHSNQFCSU-QGZVFWFLSA-N 427.263 3.873 5 50 IHBA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCn1cnc([N+](=O)[O-])n1 2882240 WOATVDNISYGICZ-UHFFFAOYSA-N 429.458 3.510 5 50 IHBA O=C(CN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F 16286145 CDRVDKGGJRMHDA-UHFFFAOYSA-N 448.454 3.983 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 1147614 CILLDVFMYQGHQV-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 9892783 QRNLFXLWDLGIBE-UHFFFAOYSA-N 432.864 3.686 5 50 IHBA C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1I)Oc1ccc(F)cc1 170595085 NBSSXAKMAVFLEM-JTQLQIEISA-N 444.200 3.536 5 50 IHBA CS(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NS(C)(=O)=O)ccc12 1062306 ZDMQTCKIYFLGQO-UHFFFAOYSA-N 441.534 3.798 5 50 IHBA O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1)OCc1ccccc1 22130678 GYHNBMBPGWMVDK-JOCHJYFZSA-N 433.464 3.749 5 50 IHBA Cc1ccc2nc3c(cc(-c4ccc([N+](=O)[O-])cc4)c(=N)n3Cc3ccco3)c(=O)n2c1 100722209 QPGOKJWGJXVPMZ-UHFFFAOYSA-N 427.420 3.654 5 50 IHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1144718 KTJKLBLBHAMQSG-UHFFFAOYSA-N 437.477 3.989 5 50 IHBA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 8441399 AKPGLTWJADVPKE-KRWDZBQOSA-N 446.257 3.900 5 50 IHBA CCNc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 9891968 SNWFMAUKEDGTKC-UHFFFAOYSA-N 440.525 3.691 5 50 IHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 16115449 JHLGWQKJEUMORR-UHFFFAOYSA-N 435.845 3.572 5 50 IHBA COc1ccc(N2O[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 244633238 FZKPBSNVJMQEFD-FKBYEOEOSA-N 445.431 3.655 5 50 IHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 101127838 MFQIGIHBSNRMFX-KDURUIRLSA-N 448.479 3.519 5 50 IHBA CCOC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C)c1C 6154142 PZKAVVCGCYHJFN-UHFFFAOYSA-N 433.486 3.539 5 50 IHBA CN1CCN(c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2)CC1 780196589 ZKPADCLQHTVGPR-UHFFFAOYSA-N 448.473 3.964 5 50 IHBA CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 12379295 LYKXTEHLYCUBDG-VUUXHMSQSA-N 438.439 3.735 5 50 IHBA biogenic O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 19643570 VNHQJMDRDIGDMU-OAHLLOKOSA-N 445.526 3.825 5 50 IHBA C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(=O)N1c1ccccc1 444092340 DBSCVZASJGVKLW-LRTDBIEQSA-N 447.441 3.883 5 50 IHBA CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1 14152386 TXVQZIRPDVTKSI-UHFFFAOYSA-N 429.458 3.518 5 50 IHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 867178 KRGGYUACLJJVSC-QGZVFWFLSA-N 432.889 3.688 5 50 IHBA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 2891157 FNMDQRMQUARMGQ-UHFFFAOYSA-N 447.513 3.532 5 50 IHBA CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 1164775 DCFASBOOYKBMCT-WOJGMQOQSA-N 442.449 3.773 5 50 IHBA COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CC[C@H](C(C)(C)C)C2 12364853 IDPBUNLJUYFJQM-RYUDHWBXSA-N 434.518 3.990 5 50 IHBA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 9668135 PPKGKWAWXIGHAF-UHFFFAOYSA-N 432.933 3.702 5 50 IHBA COc1cc(C=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2779817 QXJMMQAVZMOHQT-UHFFFAOYSA-N 444.137 3.721 5 50 IHBA Cn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cc2c1=O 8817133 MLLKVGTXLWKWAP-RUDMXATFSA-N 433.205 3.617 5 50 IHBA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 13946276 QBRXPBYMZXDYEM-UHFFFAOYSA-N 446.891 3.568 5 50 IHBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 498091451 IFEZEKLUNODRJP-QMHKHESXSA-N 434.442 3.767 5 50 IHBA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 16382750 PLEBKAZWOQKIPS-INIZCTEOSA-N 436.346 3.586 5 50 IHBA O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1O 36073947 HZLXCGJJQAOSHK-CHHVJCJISA-N 433.829 3.629 5 50 IHBA O=C(N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2555634 JZUZJVFERQWLNC-FQEVSTJZSA-N 448.431 3.835 5 50 IHBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8626530 JYGUKDMULXZTLD-UHFFFAOYSA-N 449.838 3.778 5 50 IHBA CCN(CC)c1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])cc1F 15835733 LTCFXOHYHKZFKH-UHFFFAOYSA-N 436.434 3.821 5 50 IHBA CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@H](C)C1 4844917 BBSNHTAYEHBSKS-IAGOWNOFSA-N 427.567 3.511 5 50 IHBA Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1I 9805863 PIIUIBQGNXHPQW-UHFFFAOYSA-N 441.250 3.635 5 50 IHBA Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC4(C3)CC(C)(C)C4)C2)C1 1875336888 ORBVGTUHCQGLPZ-ZWKOTPCHSA-N 443.592 4.000 5 50 IHBA COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 9296063 QBEOWJWWPDGFSK-SXGWCWSVSA-N 447.900 3.865 5 50 IHBA CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 14152369 HWDXJLYBWDVIKB-UHFFFAOYSA-N 430.442 3.783 5 50 IHBA Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 676601 VVLSDYDLYVGJMW-UHFFFAOYSA-N 448.302 3.884 5 50 IHBA Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)cc1 803488 DAGITQYUGKXYOJ-UHFFFAOYSA-N 434.452 3.711 5 50 IHBA CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 9668862 VYKXZGMNVJPMTJ-UHFFFAOYSA-N 432.933 3.648 5 50 IHBA Cc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2980454 DTFKSASOLJARGT-JOCHJYFZSA-N 446.459 3.670 5 50 IHBA Cc1ccnc(N2CCN(c3c([N+](=O)[O-])c(=O)n(-c4ccccc4)c4ccccc34)CC2)c1 8837217 WPHPBYMLGHULPB-UHFFFAOYSA-N 441.491 3.929 5 50 IHBA CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 71767553 CYGMSLOMUHAKJM-IBGZPJMESA-N 430.457 3.748 5 50 IHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)c3ccccc3C2=O)cc1 16361330 UDYWHAKAKBSWRH-UHFFFAOYSA-N 444.447 3.864 5 50 IHBA CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 1071867 BAWNJWAURSXNQW-UHFFFAOYSA-N 427.482 3.706 5 50 IHBA CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 1158479 OHWJYMZSLBMNKV-QQNJPBSNSA-N 438.439 3.674 5 50 IHBA COC(=O)C1(C(=O)OC)[C@H](/C=C/c2cccc([N+](=O)[O-])c2)[C@@]1(C)C(=O)c1ccc(C)cc1 13514131 FQXIZKVQUHAIJM-NVPSQMSFSA-N 437.448 3.768 5 50 IHBA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 227088405 MXBNLMMPMIDQOU-BHDDXSALSA-N 429.432 3.954 5 50 IHBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F 2856169 ZCXQVIATVRRMCT-UHFFFAOYSA-N 447.419 3.707 5 50 IHBA O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1F 229917450 FIFWEEJBBWAZQK-PWRODBHTSA-N 433.395 3.785 5 50 IHBA C[C@@H](NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)c1ccccc1 9280887 ZJUYODVCEGAIGM-MRXNPFEDSA-N 428.448 3.849 5 50 IHBA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 9434581 VWULRDAQXITMDM-ZHACJKMWSA-N 441.494 3.829 5 50 IHBA Cn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(I)cc2c1=O 9137933 JVSHTVXGOXGIIY-VMPITWQZSA-N 433.205 3.617 5 50 IHBA Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 754956 ADQWIJLDDFLHLR-NRFANRHFSA-N 429.432 3.749 5 50 IHBA O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 1070827 NVJNMMAVKCNOIC-UHFFFAOYSA-N 434.477 3.903 5 50 IHBA CN(Cc1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl 225834453 GFBNRWSGMMRCTB-UHFFFAOYSA-N 437.674 3.971 5 50 IHBA CCOC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OCC)c2c(c1)oc(=O)c1ccccc12 627681 ZKSQWJAJUIHRCI-UONOGXRCSA-N 428.437 3.607 5 50 IHBA biogenic C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)C(=O)c1ccccc1 971823 LOMJLBFVWCQLKS-CQSZACIVSA-N 444.399 3.824 5 50 IHBA CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 2875375 BYGUUPQKYXZVKT-UHFFFAOYSA-N 438.469 3.649 5 50 IHBA O=C(c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1)N1CCc2ccccc2C1 2763749 VSKLZJWZFBXJLZ-UHFFFAOYSA-N 441.285 3.801 5 50 IHBA C[C@@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 19648632 NXBSFISOTGDCJX-OAHLLOKOSA-N 449.349 3.645 5 50 IHBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 230078184 ZIPJFMVKSGJOAC-LAUBAEHRSA-N 440.843 3.883 5 50 IHBA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 19228862 LZFHHGDICAQCSU-OAHLLOKOSA-N 447.662 3.719 5 50 IHBA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 227144239 DCFDIKQPBLEYAA-NRFANRHFSA-N 446.500 3.749 5 50 IHBA C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)cc2[N+](=O)[O-])C1 252444465 HAZQOZPPBDFGEG-APWZRJJASA-N 434.500 3.851 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccccc1[N+](=O)[O-] 1166084 KCEKLXUYQLMUCD-CYBMUJFWSA-N 429.498 3.696 5 50 IHBA CC(C)CC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878118 MSPDJEAUQDFYKH-GFCCVEGCSA-N 427.741 3.740 5 50 IHBA C[C@@H](OC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)C(=O)c1ccccc1 971825 WDMXHGVDKRXSPQ-CQSZACIVSA-N 444.399 3.824 5 50 IHBA COC(=O)C1=CN(c2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1120057 JBTOCWJLCMLJRZ-UHFFFAOYSA-N 428.828 3.966 5 50 IHBA Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(-c4ccncc4)c3c2n(C)c1=O 1421384 GOGPHXFPHOERQS-UHFFFAOYSA-N 433.471 3.767 5 50 IHBA C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)c1ccccc1 8441641 WLWUVCFDKCBNIA-AWEZNQCLSA-N 444.399 3.824 5 50 IHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 169621131 BXZQYGFNVZNHCT-QFIPXVFZSA-N 443.463 3.865 5 50 IHBA COc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)c([N+](=O)[O-])c1 8717311 KOGWHGJGVQYYQU-UHFFFAOYSA-N 449.463 3.593 5 50 IHBA CCOC(=O)C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 10272026 BZSOTALZNLRZBR-QGZVFWFLSA-N 444.827 3.779 5 50 IHBA CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 2325861975 DYBDUCVNJRJZPJ-NSHDSACASA-N 436.394 3.815 5 50 IHBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 9553955 GLEFNFCANRHTCP-UHFFFAOYSA-N 441.893 3.540 5 50 IHBA C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2C)C1=O 2325862531 XMIKOUQZHAGEOO-AUUYWEPGSA-N 438.459 3.708 5 50 IHBA O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 779528 CYLDUBJISWWHOG-UHFFFAOYSA-N 445.475 3.625 5 50 IHBA COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1 3015265 ABZXPQJMZLWMEG-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA Cc1ccc(-n2[nH]c(C(=O)N[C@@H](c3cccc([N+](=O)[O-])c3)C(F)(F)F)cc2=O)cc1C 1875328465 TUPXSWKHJGNEKC-SFHVURJKSA-N 434.374 3.724 5 50 IHBA O=C(c1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 8645404 LVMDJHCXBZJFSY-UHFFFAOYSA-N 430.455 3.826 5 50 IHBA COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 137514173 MOSFIMPGJSYNDM-BHDDXSALSA-N 445.431 3.655 5 50 IHBA Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 1131315 PWHHATVHJGXIHO-UHFFFAOYSA-N 427.486 3.650 5 50 IHBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1OC(F)F 19800079 KAECMUQFPLMFSI-UHFFFAOYSA-N 440.399 3.557 5 50 IHBA COc1ccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c([N+](=O)[O-])c1 8717308 ZIPUEBSXJOCINF-UHFFFAOYSA-N 435.436 3.551 5 50 IHBA CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 12379293 LYKXTEHLYCUBDG-QQNJPBSNSA-N 438.439 3.735 5 50 IHBA biogenic COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1)N(C)C 170621887 PXFTWWIUDGPWRJ-QGZVFWFLSA-N 437.504 3.742 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 823188 FFNOCMONTDMZEI-INIZCTEOSA-N 431.246 3.624 5 50 IHBA CCc1nnc(NC(=O)[C@H](C)[C@H](C)N=c2[nH]c3c([N+](=O)[O-])c(Cl)ccc3s2)s1 2325861922 CUHGABDXMDJJGS-SFYZADRCSA-N 440.938 3.769 5 50 IHBA O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 2762007 QJOHHAGXVSMJPM-UHFFFAOYSA-N 436.653 3.903 5 50 IHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 2822971 ITHANNWYIKXCTN-UHFFFAOYSA-N 430.486 3.715 5 50 IHBA CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@H](C2CC2)C1 225506631 YCMQTOCKQGZWOR-BBRMVZONSA-N 426.311 3.622 5 50 IHBA Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 2989760 VFGFTKWOEQJAER-UHFFFAOYSA-N 447.494 3.505 5 50 IHBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 16214208 RTTIEOLMRFEPQV-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA COc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 136011144 ZGJQSPINOPAOTC-FDFHNCONSA-N 445.431 3.655 5 50 IHBA Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)c1 245326502 KVWRTGLPXOMTMP-YPAWHYETSA-N 429.432 3.954 5 50 IHBA Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c(C)c1[N+](=O)[O-] 653032 QUAJVBKUTJTDBP-UHFFFAOYSA-N 430.468 3.954 5 50 IHBA COc1ccc(Cl)cc1NC1=NC(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)S1 1131850 PPNBLTFWTSSTID-OAHLLOKOSA-N 434.861 3.696 5 50 IHBA O=C(c1ccc(F)cc1F)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 3998681 GIWZAVFLCTUBQC-UHFFFAOYSA-N 448.445 3.965 5 50 IHBA CCCCN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 238900565 JPFAGBAZQUWDQJ-GUDVDZBRSA-N 429.860 3.895 5 50 IHBA CC(C)OC(=O)c1c(C(=O)OC(C)C)c2cccnn2c1C(=O)c1ccc([N+](=O)[O-])cc1 4543067 ZKZKZILWDJUZRJ-UHFFFAOYSA-N 439.424 3.604 5 50 IHBA CC(C)C(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 12382023 DVAOOKDOYQBVFA-UHFFFAOYSA-N 433.530 3.587 5 50 IHBA Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)cc1 2997848 PNFVXQVJCFSNJW-UHFFFAOYSA-N 447.473 3.877 5 50 IHBA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 1131900 YRHKQCFZIDZNJK-UHFFFAOYSA-N 431.514 3.559 5 50 IHBA Cc1nn(Cc2ccc(/C=C3/N=C(S)N(c4ccc(F)cc4)C3=O)o2)c(C)c1[N+](=O)[O-] 2805129 VNFLPIKNWRQFSP-RQZCQDPDSA-N 441.444 3.862 5 50 IHBA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2875250 ZUEWDIQNMYLQJC-UHFFFAOYSA-N 425.422 3.768 5 50 IHBA CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 6491954 MPSSGFRNLBBLKY-WOJGMQOQSA-N 442.449 3.773 5 50 IHBA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1C 1830076 JJQRCYUJSRWZSV-UHFFFAOYSA-N 430.442 3.561 5 50 IHBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)no1 2773691 BHZSLDCHLHJOAH-UHFFFAOYSA-N 436.833 3.598 5 50 IHBA C[C@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 19418214 UFWACGHASKRRJQ-QZGUCNERSA-N 428.577 3.726 5 50 IHBA COc1ccc(Cl)c2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 728006902 WADZKQAPRANADX-LBPRGKRZSA-N 447.850 3.728 5 50 IHBA COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C)cc1 12462420 GBIHKMUKWVWJJE-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1 1171789 CCMLDUCVSHHHDQ-UHFFFAOYSA-N 431.514 3.865 5 50 IHBA C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1I)Oc1ccc(F)cc1 170595086 NBSSXAKMAVFLEM-SNVBAGLBSA-N 444.200 3.536 5 50 IHBA CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1158246 GXXWDIACJIWQAI-GOSISDBHSA-N 430.848 3.914 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 1119643 KDOMIZLCBKKFBA-UHFFFAOYSA-N 441.465 3.681 5 50 IHBA CCNc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 9891986 RODGTQIWMYHYFW-UHFFFAOYSA-N 433.306 3.752 5 50 IHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H](CO)c1cccc(Cl)c1 170633615 SYSPORSMEUBUOX-GOSISDBHSA-N 439.921 3.568 5 50 IHBA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1904044 BJKGZYUTIQJYBI-UHFFFAOYSA-N 436.449 3.733 5 50 IHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc(Br)ccc1OC 9846238 NLEYGPXJTIJLAZ-UHFFFAOYSA-N 440.275 3.501 5 50 IHBA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 1173405 DJYOYMRAMHLSDL-UHFFFAOYSA-N 444.399 3.744 5 50 IHBA C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2C)C1=O 2325862532 XMIKOUQZHAGEOO-IFXJQAMLSA-N 438.459 3.708 5 50 IHBA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 54254258 JVDMGASOIDPNRY-UHFFFAOYSA-N 444.491 3.587 5 50 IHBA CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 1188544 UDEJEBGPVHPPNI-UHFFFAOYSA-N 429.388 3.850 5 50 IHBA Cc1ccc(NC(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 19852097 IIGNJMNQHUVVPJ-UHFFFAOYSA-N 432.908 3.943 5 50 IHBA CC(C)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9971834 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434.905 3.984 5 50 IHBA CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9226899 QAIXKGUTGYRXGA-UHFFFAOYSA-N 425.466 3.668 5 50 IHBA CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 8867260 JRMDOEUWDUZZHY-INIZCTEOSA-N 426.878 3.529 5 50 IHBA CCNc1ccc(C(=O)Nc2c(Br)cccc2CC(=O)OC)cc1[N+](=O)[O-] 170612308 NQKNBXRIRPBCHF-UHFFFAOYSA-N 436.262 3.757 5 50 IHBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1 19638004 UUVQMJVICONZTR-UHFFFAOYSA-N 443.485 3.621 5 50 IHBA CCCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1 2844463 FEFNZGCYABHSHL-UHFFFAOYSA-N 447.447 3.628 5 50 IHBA aggregator O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1142864 MBYTUTQOYZBNKR-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1F 227248727 FIFWEEJBBWAZQK-PCCBWWKXSA-N 433.395 3.785 5 50 IHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1Cc1ccccc1 229997153 JZKWMYLBDZSCOC-BHIFYINESA-N 429.432 3.642 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 1129630 DYRKMBYAGFNBTK-LBPRGKRZSA-N 449.916 3.960 5 50 IHBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 9355120 FNBQJMFDCYUIQE-UHFFFAOYSA-N 430.892 3.949 5 50 IHBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cc2ccccc2o1 9086448 PIIVWAIJJRHIQD-UHFFFAOYSA-N 444.900 3.831 5 50 IHBA COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(Br)c(OC)c1OC 4290132 CNEIYASXWDBSGK-UHFFFAOYSA-N 425.235 3.944 5 50 IHBA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 11582549 QMIFMAOWVCPMSZ-NJDAHSKKSA-N 433.395 3.785 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 15821244 TVBZJFALRLHNNB-UHFFFAOYSA-N 449.448 3.933 5 50 IHBA NC(=O)c1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 16004262 OGQACCJZUHAKSE-UHFFFAOYSA-N 428.514 3.877 5 50 IHBA CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(C)cc2)S1 16192391 CYWVQJGXKZVQDH-QGZVFWFLSA-N 428.470 3.741 5 50 IHBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 1073275 UPFWKDUXBAURDI-UHFFFAOYSA-N 428.470 3.865 5 50 IHBA CCOc1ccc2nc(SCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1 4143836 RFTVKQDUXJVVCU-UHFFFAOYSA-N 439.540 3.674 5 50 IHBA CCCCN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 101688504 JPFAGBAZQUWDQJ-CEXWTWQISA-N 429.860 3.895 5 50 IHBA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8666718 XIBHHWPAYPOTHV-UHFFFAOYSA-N 446.507 3.547 5 50 IHBA Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C)[n+]([O-])c3)c([N+](=O)[O-])c2)c(C)c1 170597194 UTYSMDFLKFTIEQ-UHFFFAOYSA-N 429.454 3.747 5 50 IHBA Cc1cnc(N2CCC([S@](C)(=O)=NC(=O)c3nc(C(C)C)oc3C)CC2)c([N+](=O)[O-])c1 2332238535 BLKHBEUOUCARFO-HKBQPEDESA-N 449.533 3.625 5 50 IHBA COc1ccc(Cn2c(S(=O)(=O)Cc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] 1078524 NHDBCPUTIJYPOS-UHFFFAOYSA-N 437.477 3.975 5 50 IHBA Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2[N+](=O)[O-])c1S(=O)(=O)c1ccccc1 2849013 KWFAJIBNAGCSSD-UHFFFAOYSA-N 443.481 3.907 5 50 IHBA Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 754955 ADQWIJLDDFLHLR-OAQYLSRUSA-N 429.432 3.749 5 50 IHBA CC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 1234957 ALAQBCIFZATAOJ-UHFFFAOYSA-N 429.388 3.850 5 50 IHBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 9972110 ASAJVKTXYLOMQU-UHFFFAOYSA-N 438.528 3.946 5 50 IHBA CCOc1cc(CO)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1139025 DCAVJVZNSXDANK-UHFFFAOYSA-N 429.210 3.669 5 50 IHBA COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CC[C@H](C(C)(C)C)C2 12364854 IDPBUNLJUYFJQM-NEPJUHHUSA-N 434.518 3.990 5 50 IHBA CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O 245328142 SFVZXKJJWUYETE-JIGPKXGUSA-N 428.485 3.747 5 50 IHBA O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 6445893 MUEMQCYKSJVROT-UHFFFAOYSA-N 431.448 3.922 5 50 IHBA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1C 8916578 WCZCPTSYDIBMTO-UHFFFAOYSA-N 432.933 3.702 5 50 IHBA COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323145 JMJHTSRWMQZXEB-OXJNMPFZSA-N 425.485 3.702 5 50 IHBA C[C@@H](OC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)C(=O)c1ccccc1 971821 MPPHXVIYOZSQCH-CQSZACIVSA-N 444.399 3.824 5 50 IHBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1077405 UQGYDCOHFHABGP-UHFFFAOYSA-N 447.369 3.682 5 50 IHBA COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1154163 POBPFEVLDZPAQO-UHFFFAOYSA-N 434.404 3.895 5 50 IHBA CCOc1ccc2nc(N3C[C@@H](C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3=O)sc2c1 9591740 VOGRPUXBZBTKRQ-AWEZNQCLSA-N 441.465 3.700 5 50 IHBA O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 16430514 YRUHBNQOUGEPHW-UHFFFAOYSA-N 436.493 3.871 5 50 IHBA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1[N+](=O)[O-] 1067353 IRFITXQGXQRLCD-UHFFFAOYSA-N 449.419 3.879 5 50 IHBA Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1 9427153 JNXJTHVHSUSFPQ-UHFFFAOYSA-N 429.483 3.738 5 50 IHBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 999448 TYOBQUNTWCVIKQ-UHFFFAOYSA-N 443.678 3.943 5 50 IHBA CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)NC1=S 9295991 JCRQWKQPHARODW-SXGWCWSVSA-N 447.900 3.913 5 50 IHBA Cc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)cc1[N+](=O)[O-] 170597243 KOFQSQMKGBMXHK-UHFFFAOYSA-N 430.404 3.512 5 50 IHBA O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1 3877957 NCVNWUZYWVPJNU-GFCCVEGCSA-N 437.692 3.601 5 50 IHBA CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 16192402 HDFZTZJTLZWNTO-SFHVURJKSA-N 430.848 3.914 5 50 IHBA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 1113486 JGEQXWQVDPQFTK-UHFFFAOYSA-N 441.465 3.965 5 50 IHBA O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 1172861 ITGSAAGMPZLGMH-UHFFFAOYSA-N 436.428 3.595 5 50 IHBA Cn1c(=O)c([N+](=O)[O-])c(N2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 12428086 MXCLREQESQMKOK-UHFFFAOYSA-N 428.492 3.922 5 50 IHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1055784 GBKJHKFRIWPIES-UHFFFAOYSA-N 437.477 3.527 5 50 IHBA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(N)=O 2736796 CXBILSMOBNTCRJ-UHFFFAOYSA-N 425.850 3.535 5 50 IHBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 8682336 FOFMDBKRLSQLEN-UHFFFAOYSA-N 431.496 3.873 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 9762180 DHMOUIZZGGLZCU-UHFFFAOYSA-N 435.392 3.563 5 50 IHBA Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 100722379 XFLYLUWAQGFVEE-FDFHNCONSA-N 429.432 3.954 5 50 IHBA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 2225155 KOCPVROTIKWSFZ-UHFFFAOYSA-N 425.363 3.711 5 50 IHBA O=c1c2cc(Br)cc(Br)c2ncn1Cc1ccc([N+](=O)[O-])cc1 3132096 LHDSZENMIOJBIJ-UHFFFAOYSA-N 439.063 3.878 5 50 IHBA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 16319791 CFLXDAMIJZRXTB-UHFFFAOYSA-N 441.513 3.845 5 50 IHBA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1cccc([N+](=O)[O-])c1 1165866 PVRGYCALBXNRTD-OAHLLOKOSA-N 429.498 3.696 5 50 IHBA COC(=O)C1(C(=O)OC)[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)[C@]1(C)C(=O)c1ccc(C)cc1 13514133 FQXIZKVQUHAIJM-CWHMAMJXSA-N 437.448 3.768 5 50 IHBA Cc1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 2852903 OFOUQGKBRMPFLI-UHFFFAOYSA-N 425.466 3.981 5 50 IHBA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110320551 VVENARZEZDXIQM-LJQANCHMSA-N 445.903 3.828 5 50 IHBA CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 8867261 JRMDOEUWDUZZHY-MRXNPFEDSA-N 426.878 3.529 5 50 IHBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1 9891928 HJJUQHAOCWOEGH-UHFFFAOYSA-N 446.573 3.872 5 50 IHBA CCOc1cc(C=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1172135 UZMMPXCLOMVLLJ-UHFFFAOYSA-N 427.194 3.990 5 50 IHBA O=C1C[C@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 8763701 NMQOMYJYGUEZAJ-AWEZNQCLSA-N 428.754 3.516 5 50 IHBA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 12382430 RHSAALQUOVETEL-UHFFFAOYSA-N 436.877 3.898 5 50 IHBA CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 3878136 VZSJOCLGTBRCDQ-UXBLZVDNSA-N 431.470 3.537 5 50 IHBA CCOC(C[S@@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)OCC 4551977 QXLLVCDQTQOXJJ-MHZLTWQESA-N 426.516 3.544 5 50 IHBA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 6173603 VFEPDMNFSDESNF-SEJMYLSOSA-N 443.437 3.770 5 50 IHBA COc1ccc(-c2noc([C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 334161532 BQBIGYTWLYNRRP-LJQANCHMSA-N 426.429 3.546 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 2979851 PCBMUZIPCKOZSL-UHFFFAOYSA-N 440.437 3.576 5 50 IHBA C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)c1ccccc1 8441642 WLWUVCFDKCBNIA-CQSZACIVSA-N 444.399 3.824 5 50 IHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1C(=O)O 2878171 SZEOKKQNLLKUDW-UHFFFAOYSA-N 425.260 3.927 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 55529223 KELYLWFDJYYPOJ-UHFFFAOYSA-N 446.507 3.935 5 50 IHBA CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1198786 UVFRVBWMXPMEIH-UHFFFAOYSA-N 429.388 3.850 5 50 IHBA O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 221974753 VKVVDDBOSOTFNN-WGHTVKHISA-N 437.334 3.868 5 50 IHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NCc1ccccc1 1196629 SKCWXZMVNCWABJ-UHFFFAOYSA-N 425.466 3.634 5 50 IHBA CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9202739 VGFYAWMXHMEMBY-UHFFFAOYSA-N 428.441 3.837 5 50 IHBA O=[N+]([O-])c1cc2c(cc1CN1CCC(O)(c3ccc(Br)cc3)CC1)OCO2 23282919 HIOMUURDVFFJID-UHFFFAOYSA-N 435.274 3.570 5 50 IHBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1 136046044 UGOQNYOQKXHMQB-FDFHNCONSA-N 429.432 3.642 5 50 IHBA COc1ccccc1Nc1nc(Nc2ccccc2OC)c([N+](=O)[O-])c(N)c1[N+](=O)[O-] 16663576 SFNBDZMXWRMGPC-UHFFFAOYSA-N 426.389 3.985 5 50 IHBA CCc1nnc(NC(=O)[C@H](C)[C@@H](C)N=c2[nH]c3c([N+](=O)[O-])c(Cl)ccc3s2)s1 2325861920 CUHGABDXMDJJGS-HTQZYQBOSA-N 440.938 3.769 5 50 IHBA COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1120508 CQWFJACPUQVVQZ-UHFFFAOYSA-N 438.436 3.629 5 50 IHBA aggregator COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@@H](C(=O)OC)CC2 1744107 MHIQJXHJKZZRPY-JTQLQIEISA-N 438.845 3.551 5 50 IHBA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2800637 UXUPRCSMKFICIL-INIZCTEOSA-N 428.319 3.834 5 50 IHBA O=C1C[C@@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 731586200 URCJELNVVNXKPX-GFCCVEGCSA-N 435.814 3.859 5 50 IHBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 245247172 QYGAIPNYDYKXHJ-YPAWHYETSA-N 429.432 3.954 5 50 IHBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 1152093 FIJOJPHESVFCPK-KRWDZBQOSA-N 427.766 3.678 5 50 IHBA O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 17097800 LSYWEXSQUWJBRX-UHFFFAOYSA-N 432.274 3.848 5 50 IHBA CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 1234974 KTXNOLWCDIZHMH-UHFFFAOYSA-N 429.388 3.850 5 50 IHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2735007 MZZAJZKTNNOEKR-MRXNPFEDSA-N 447.494 3.680 5 50 IHBA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cccc([N+](=O)[O-])c2)cc1 2844391 HQDMJEJVEYCVJN-UHFFFAOYSA-N 431.514 3.501 5 50 IHBA CCOC(=O)c1ccccc1OC(=O)C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11859685 GELMORDCPXZOEE-PMERELPUSA-N 445.371 3.504 5 50 IHBA C[C@H]1CCCN(S(=O)(=O)c2cc3c(=O)nc4ccc(Cl)cn4c3cc2Cl)C1 12417777 XNBGJMMGQKLYIF-NSHDSACASA-N 426.325 3.575 5 50 IHBA CCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])c(Br)cc21 16448480 RXOJYCQWUMRNQK-UHFFFAOYSA-N 433.262 3.766 5 50 IHBA CCn1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc2cc(Br)ccc21 225533748 LLMFBOLYPQFGLC-UHFFFAOYSA-N 439.291 3.836 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2854584 LBAHFBKRIJXEOQ-CQSZACIVSA-N 437.905 3.596 5 50 IHBA COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c([N+](=O)[O-])c1 9057546 PACUOGUXVUVEJF-UHFFFAOYSA-N 433.877 3.783 5 50 IHBA CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(C)cc2)S1 16192389 CYWVQJGXKZVQDH-KRWDZBQOSA-N 428.470 3.741 5 50 IHBA O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2nc3ccccc3n12 9178651 XJXGQMWBZPFZAM-FYJGNVAPSA-N 429.457 3.944 5 50 IHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 13959924 HWBGXSMFGUJPHR-UHFFFAOYSA-N 425.401 3.626 5 50 IHBA COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] 2221353 XZKQDICQTXNLOL-UHFFFAOYSA-N 440.437 3.576 5 50 IHBA C[C@H](OC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)C(=O)c1ccccc1 2998601 MPPHXVIYOZSQCH-AWEZNQCLSA-N 444.399 3.824 5 50 IHBA O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 66252280 ZXSGSFMORAILEY-HNNXBMFYSA-N 436.346 3.730 5 50 IHBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 1116607 ARCODAFOHALTDU-UHFFFAOYSA-N 437.905 3.921 5 50 IHBA CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1422927 HRKONOYXUGGBSD-LJQANCHMSA-N 443.481 3.567 5 50 IHBA O=C(NCc1ccccc1Cl)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 3154691 MUYWEBMWGFAYOH-LDADJPATSA-N 425.828 3.929 5 50 IHBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@H](C(=O)OC)CC2 1744162 RZGTVJJGISNFDP-SECBINFHSA-N 438.845 3.551 5 50 IHBA CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccc([N+](=O)[O-])c1 16285977 GTFYGHMFCMYGKH-UHFFFAOYSA-N 440.485 3.562 5 50 IHBA Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 16349767 INCBBBJWEURISN-UHFFFAOYSA-N 447.494 3.505 5 50 IHBA C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 2906738 CAFDFQBQTBXSDC-KRWDZBQOSA-N 439.493 3.668 5 50 IHBA Cc1cc(C)c(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c([N+](=O)[O-])c1 16447822 SCBYLQUUULTCNJ-UHFFFAOYSA-N 438.509 3.925 5 50 IHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1Cl 1217995 REEQVUDDWRYXME-UHFFFAOYSA-N 432.601 3.870 5 50 IHBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1OC 12371191 KPPNUWPJHBJEDS-UHFFFAOYSA-N 439.390 3.593 5 50 IHBA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 1156845 YIWOMUFCFYNYMC-SFHVURJKSA-N 446.847 3.532 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ncccc12 8385457 AKGRJIABPKFTJL-UHFFFAOYSA-N 448.504 3.807 5 50 IHBA C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(=O)N1c1ccccc1 444092348 DBSCVZASJGVKLW-ZSEKCTLFSA-N 447.441 3.883 5 50 IHBA C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 253420030 ISPLYTRMMYPCFT-DOMZBBRYSA-N 432.502 3.846 5 50 IHBA COc1ccc(C(=O)C2CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CC2)cc1 170606577 YAXTXTJSBQAWEC-UHFFFAOYSA-N 439.512 3.535 5 50 IHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1884943 FTGMZDILPXDMNQ-RUDMXATFSA-N 430.467 3.504 5 50 IHBA C[C@@](N)(C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 1875335054 QUJNQGJJGXOUII-MJGOQNOKSA-N 442.274 3.815 5 50 IHBA C[C@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 19648635 NXBSFISOTGDCJX-HNNXBMFYSA-N 449.349 3.645 5 50 IHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br 951550 YMPDRROHLQHNCG-UHFFFAOYSA-N 441.234 3.644 5 50 IHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 9906324 PBHMPWGQYUTYTG-UHFFFAOYSA-N 432.864 3.686 5 50 IHBA O=C(OC[C@@]12CC[C@@]1(COC(=O)c1ccc([N+](=O)[O-])cc1)C2)c1ccc([N+](=O)[O-])cc1 104279713 JHYRZAPTWAJSDK-SFTDATJTSA-N 426.381 3.687 5 50 IHBA COc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c([N+](=O)[O-])cc1OC 1133652 LGSQXJJCXNNEGG-UHFFFAOYSA-N 434.861 3.960 5 50 IHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCCOC12CC3CC(CC(C3)C1)C2 8659797 QKJOCTKWWAVUHN-UHFFFAOYSA-N 430.530 3.665 5 50 IHBA COC(=O)C1(C(=O)OC)[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)[C@@]1(C)C(=O)c1ccc(C)cc1 13514129 FQXIZKVQUHAIJM-KYBPXCETSA-N 437.448 3.768 5 50 IHBA CCOc1cc(C=O)cc(I)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1161029 VNWRNQWINMWHOV-UHFFFAOYSA-N 441.177 3.630 5 50 IHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O 2880772 IMQSKDBKBINNLB-UHFFFAOYSA-N 436.251 3.998 5 50 IHBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 1117024 PQKAJTRMXVHNOX-UHFFFAOYSA-N 437.905 3.921 5 50 IHBA O=[N+]([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NCCc1ccccc1 6446138 OMIYEWJURFKMET-UHFFFAOYSA-N 425.510 3.770 5 50 IHBA Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 1875260707 XVEZELJXIBGXSE-MRXNPFEDSA-N 429.542 3.816 5 50 IHBA CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3 852972 DLFQAABZRBHRPP-UHFFFAOYSA-N 442.497 3.554 5 50 IHBA CCOC(=O)C1=C(CSc2ccc(OC)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1422926 HRKONOYXUGGBSD-IBGZPJMESA-N 443.481 3.567 5 50 IHBA CC(C)C(NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C(C)C 2931235 FCWMDAJRYKQQPO-UHFFFAOYSA-N 433.530 3.587 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 1121242 LMPMYTWFXLRXTO-UHFFFAOYSA-N 425.466 3.981 5 50 IHBA CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CCn5cc([N+](=O)[O-])cn5)nc4c23)C1 2798777 IYKWNWBESHMNRH-LBPRGKRZSA-N 425.518 3.837 5 50 IHBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229884439 XFLYLUWAQGFVEE-BHDDXSALSA-N 429.432 3.954 5 50 IHBA C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)cc2[N+](=O)[O-])C1 229418090 FONNFORFBBUXHO-IAGOWNOFSA-N 437.496 3.966 5 50 IHBA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 757974 QYHNBWAIMRRWQY-INIZCTEOSA-N 447.314 3.789 5 50 IHBA CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 944194 KMCQVGWWCMYYRZ-HXUWFJFHSA-N 427.482 3.690 5 50 IHBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8385466 JBPZHTSUHUFHRY-UHFFFAOYSA-N 431.901 3.912 5 50 IHBA N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 100674563 GRJINBIRGHNVOF-UHFFFAOYSA-N 427.508 3.564 5 50 IHBA Cc1c(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cccc1[N+](=O)[O-] 1183214 YUINYFNAYXMKSM-UHFFFAOYSA-N 434.905 3.520 5 50 IHBA COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 2952684 YKLQAEQZZJSZBC-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N)c1ccccc1 16213731 JQHLCUIHVLWGLE-GOSISDBHSA-N 449.514 3.668 5 50 IHBA O=C(OCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccn(C2CCC2)c1=O 1875344968 QKQOUAYJGHDZOO-UHFFFAOYSA-N 430.804 3.542 5 50 IHBA Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c([N+](=O)[O-])c1 169621136 ZWCABHRNRYFSAW-QFIPXVFZSA-N 443.463 3.865 5 50 IHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(S(=O)(=O)N2CCCCCC2)c1 1875389235 HCPZSIVYSXNZFF-UHFFFAOYSA-N 436.465 3.943 5 50 IHBA CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 9113804 RNXNDOLTDZPFDU-UHFFFAOYSA-N 438.528 3.517 5 50 IHBA COc1ccc(-c2noc([C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 334161531 BQBIGYTWLYNRRP-IBGZPJMESA-N 426.429 3.546 5 50 IHBA C[C@@H](OC(=O)Cc1cccc(OCc2cccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 771146599 FXWURXKSZOEUHD-MRXNPFEDSA-N 435.436 3.682 5 50 IHBA C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6268958 WDTVKWWTTCGXOJ-HNNXBMFYSA-N 425.466 3.887 5 50 IHBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 1152094 FIJOJPHESVFCPK-QGZVFWFLSA-N 427.766 3.678 5 50 IHBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 4199578 JLTDYQRSMBLLFR-UHFFFAOYSA-N 433.512 3.922 5 50 IHBA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 16382746 PLEBKAZWOQKIPS-MRXNPFEDSA-N 436.346 3.586 5 50 IHBA CC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 1157398 KPSLDZRRZSMYNL-FGEXJBCWSA-N 438.439 3.674 5 50 IHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2)n1C 1131675 CPKVJAOFFAWLCK-CQSZACIVSA-N 427.486 3.903 5 50 IHBA CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2913326 FCQNSHNBKDVOFL-JTQLQIEISA-N 427.741 3.740 5 50 IHBA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 1139081 LJSCBGIZBIZXKZ-UHFFFAOYSA-N 427.438 3.657 5 50 IHBA CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1069619 JFQBCFZHRXSLOQ-IBGZPJMESA-N 427.482 3.699 5 50 IHBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)no1 1779628 BDMQDAQUGREJLG-UHFFFAOYSA-N 436.833 3.598 5 50 IHBA O=C1C[C@H](C(=O)N2CCCc3cccc(OC(F)F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 920011492 QSOKFARONOWENB-ZDUSSCGKSA-N 449.385 3.668 5 50 IHBA O=[N+]([O-])c1ccc(C2=[N+]3CCCCCN3[C@](O)(c3ccc(Br)cc3)C2)cc1 25575990 NDISJEXNOSHZJI-HXUWFJFHSA-N 431.310 3.809 5 50 IHBA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 9934662 QSZCJFHLJBAOOH-UHFFFAOYSA-N 434.452 3.776 5 50 IHBA CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc3ccccc3c3cccnc13)CC2 303615562 MEIROXJLEOJRPT-UHFFFAOYSA-N 431.517 3.841 5 50 IHBA COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc([N+](=O)[O-])c1O 23282372 LBNFYVDMPWIYBL-UHFFFAOYSA-N 437.290 3.555 5 50 IHBA Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1Br 16192852 UWHQHORLVBFSPW-UHFFFAOYSA-N 448.317 3.702 5 50 IHBA Cn1c(CCNC(=O)c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 16361366 KFPCWODNLKPCLD-UHFFFAOYSA-N 431.905 3.642 5 50 IHBA O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])c2ncccc12 170596306 XHBGTSRVTLCXSK-UHFFFAOYSA-N 443.257 3.664 5 50 IHBA O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccco1 3877968 XRRUXLMTSHFUPQ-GFCCVEGCSA-N 437.692 3.601 5 50 IHBA O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 3878189 BNKNYFLUYLEVBM-UHFFFAOYSA-N 429.376 3.541 5 50 IHBA Cc1cccc(NC(=O)c2ccc(NCCN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)c1 16361411 ZWGHVSYGPDQDGA-UHFFFAOYSA-N 444.447 3.864 5 50 IHBA O=C1[C@H](Oc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Br)N1C[C@H]1CCCO1 247351329 VYQQJIMWPYKOMF-AYOQOUSVSA-N 447.285 3.867 5 50 IHBA CCOC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 16156276 NGONPZWZGBNWOU-WOJGMQOQSA-N 442.449 3.773 5 50 IHBA O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 2820958 CXIGHMCFCLXGDW-UHFFFAOYSA-N 435.230 3.502 5 50 IHBA O=C(COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9720999 PINBYFVJJKICSZ-UHFFFAOYSA-N 446.507 3.935 5 50 IHBA CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 225506687 YCMQTOCKQGZWOR-XJKSGUPXSA-N 426.311 3.622 5 50 IHBA Cc1cc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)ccc1Cl 19646609 RROZVQJUWFEFOP-UHFFFAOYSA-N 447.904 3.995 5 50 IHBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 1115842 KJIYECICUUEALU-UHFFFAOYSA-N 429.429 3.568 5 50 IHBA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 1124546 KURDGCSNEFGCAO-LJQANCHMSA-N 433.258 3.575 5 50 IHBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1Cl 8927630 AXQNUMMWPRGSLS-UHFFFAOYSA-N 430.892 3.794 5 50 IHBA Cc1cccc(-n2c(S)nc(=O)c3c(C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)nc32)c1 20605722 XKSXCDSBDZGTCF-UHFFFAOYSA-N 434.433 3.651 5 50 IHBA COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccccc2)cc1 2677622 DDIOCCBYEJSFQN-JCMHNJIXSA-N 431.448 3.691 5 50 IHBA COc1cc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1 2796536 GSVYBVXMLYXEPU-UHFFFAOYSA-N 425.401 3.626 5 50 IHBA COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 110323142 JMJHTSRWMQZXEB-OXQOHEQNSA-N 425.485 3.702 5 50 IHBA O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 229870288 WHVDSSFOLVXIRF-PWRODBHTSA-N 433.395 3.785 5 50 IHBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 1152656 ZTYWDVCYKPAJGB-UHFFFAOYSA-N 443.456 3.876 5 50 IHBA CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1158245 GXXWDIACJIWQAI-SFHVURJKSA-N 430.848 3.914 5 50 IHBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C(=O)N(C)C)c1C 1114622 IQQVLYTVNDSMRH-UHFFFAOYSA-N 439.877 3.749 5 50 IHBA CCSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 1190622 PZQDIQULBGDZJG-QGZVFWFLSA-N 425.426 3.791 5 50 IHBA Cc1nn(Cc2cccc(C(=O)Nc3ccc(Cn4cccn4)cc3)c2)c(C)c1[N+](=O)[O-] 653390 RUUUCQBQCVZCDT-UHFFFAOYSA-N 430.468 3.954 5 50 IHBA CCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C)c1 13598507 CAXSFDMJRKGFOO-UHFFFAOYSA-N 425.470 3.714 5 50 IHBA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 138589867 GHOVMVSZIPSWNX-FDFHNCONSA-N 429.432 3.954 5 50 IHBA CCOc1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c([N+](=O)[O-])c1 8450892 VYCRVXSAOPYATQ-UHFFFAOYSA-N 449.876 3.612 5 50 IHBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 498091449 IFEZEKLUNODRJP-HJPURHCSSA-N 434.442 3.767 5 50 IHBA CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 2850568 GRMXXOOSKCVKAM-UHFFFAOYSA-N 428.470 3.732 5 50 IHBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(Cl)c1 4081306 MKTBQNMAMPKBAC-UHFFFAOYSA-N 431.901 3.912 5 50 IHBA CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OC)c1C 871960 OVEMWIXDJZAYDX-UHFFFAOYSA-N 433.486 3.794 5 50 IHBA O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 247353766 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