smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cccc(-c2noc(CCCc3ccccc3)n2)c1 458248 MRYOZRFPVBYFPV-UHFFFAOYSA-N 309.325 3.820 5 50 DHBA CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5041363 KFXAKSQIVGOJTF-UHFFFAOYSA-N 301.302 3.638 5 50 DHBA C[C@@H](c1ccccc1)[C@@H](C)Oc1cccc([N+](=O)[O-])c1C(=O)O 4569199 SXGPRSVGKLZJOU-VXGBXAGGSA-N 315.325 3.864 5 50 DHBA Cc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cn1 4774104 KMVZPGHHQWCHPZ-UHFFFAOYSA-N 306.709 3.596 5 50 DHBA Cc1c(CN(C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] 183955406 ZYICEZBHNCGENM-LLVKDONJSA-N 305.403 3.595 5 50 DHBA Cc1cccc(C(=O)OC[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] 225731973 MGJFKZSLFSEDHS-LLVKDONJSA-N 313.300 3.886 5 50 DHBA O=C(Nc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 291000 LBNSHSUJHXCWON-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CC1(C)C[C@@]2(O[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 1744776 IDDOVPNRRHNRRQ-IEBWSBKVSA-N 323.348 3.969 5 50 DHBA C[C@@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 4891743 UXXBDDADGXCQDJ-SNVBAGLBSA-N 304.733 3.990 5 50 DHBA Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 5041406 MVGPDBWWEKMYGQ-UHFFFAOYSA-N 307.256 3.825 5 50 DHBA O=c1ccc2nc3ccc(OCc4ccccc4)cc3oc-2c1 4534147 XNZRYTITWLGTJS-UHFFFAOYSA-N 303.317 3.872 5 50 DHBA in-vitro Cc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 449421 DYWDIFJYNZBPIK-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1cccc2ncnc(NCCc3cccc([N+](=O)[O-])c3)c12 170590973 LSVSAZAPOKMPEZ-UHFFFAOYSA-N 308.341 3.501 5 50 DHBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 474092 GLECGFXZXIBVNT-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Nc1cccnc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 262309 SMYJGEILXVHRBD-UHFFFAOYSA-N 309.281 3.502 5 50 DHBA COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2C=O)c1 40450087 BOQDRLQTTIBYHK-UHFFFAOYSA-N 319.338 3.576 5 50 DHBA CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252680259 YCAMYGWYWHIESJ-GVDBMIGSSA-N 318.417 3.620 5 50 DHBA COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 447532 VWAYCTKFIIVIOV-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3833272 HRZSFDBINOBHFE-UHFFFAOYSA-N 320.370 3.519 5 50 DHBA CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4036962 ZEICVHOKIUONPA-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA O=C(NCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4700065 ITYGYCZQMHXSGO-UHFFFAOYSA-N 318.760 3.611 5 50 DHBA Cc1cc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 4801840 AXGOIWABOVKPLH-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=C(NC1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4839214 NBZCDNPZCJITJQ-UHFFFAOYSA-N 314.341 3.917 5 50 DHBA COc1ccc(C(C)=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 471792 UNDUCXVGVTYZDA-UHFFFAOYSA-N 315.325 3.693 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1scc2c1CCCC2 4580113 KLQPSJUIBCHSMF-UHFFFAOYSA-N 302.355 3.787 5 50 DHBA O=C(Cc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1O 5012592 ILDNLLQJFMMYTL-UHFFFAOYSA-N 322.320 3.635 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Cl 94398 RZPBRVBASJZSSU-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 447563 LQVYFMYYSSXVGC-UHFFFAOYSA-N 322.320 3.766 5 50 DHBA Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5092435 XCOGFAIISNAURB-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=[N+]([O-])c1ccc(NCCOc2ccccc2)c2ncccc12 3877909 JWZHVRKNTNZDGN-UHFFFAOYSA-N 309.325 3.634 5 50 DHBA Cn1c(-c2ccc(Br)o2)nc2cc([N+](=O)[O-])ccc21 4543041 JUGJAJRUTMHESS-UHFFFAOYSA-N 322.118 3.504 5 50 DHBA O=[N+]([O-])c1cccc(-c2nc(/C=C/c3ccncn3)cs2)c1 157353582 LLRUZDLGAWLGML-SNAWJCMRSA-N 310.338 3.679 5 50 DHBA COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 103377 WRLHWNCVQKIPMG-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 259082 YVCRQSKRTNYSJT-UHFFFAOYSA-N 318.716 3.703 5 50 DHBA O=C(O)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 308506 RQKBFPNFGQMXSC-UHFFFAOYSA-N 316.294 3.585 5 50 DHBA CC(=O)N(C)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 1424386 DAVQCKZAEJVSCQ-UHFFFAOYSA-N 310.309 3.854 5 50 DHBA COc1ccc(C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 2839721 ZMPHHPZYDBSLJY-LBPRGKRZSA-N 314.341 3.654 5 50 DHBA CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cccs1 172058915 DMFQZJSGPHSVMH-UHFFFAOYSA-N 318.398 3.593 5 50 DHBA CCN(CC)C(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 306562 ZWHRPRBKIDKZCY-PKNBQFBNSA-N 314.341 3.736 5 50 DHBA O=[N+]([O-])c1ccc(OC/C=C/c2cccc([N+](=O)[O-])c2)cc1 2854300 FAPZOAUGPJYOSG-DUXPYHPUSA-N 300.270 3.595 5 50 DHBA Cc1c(CN(C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] 183955429 ZYICEZBHNCGENM-NSHDSACASA-N 305.403 3.595 5 50 DHBA CCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 3880518 HJFXLLDTHKAWLC-UHFFFAOYSA-N 315.329 3.690 5 50 DHBA COc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 3879008 CLUXLTSHVTWONO-UHFFFAOYSA-N 320.692 3.537 5 50 DHBA O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1c1nccs1 195369572 WXPVHELCIUVDPZ-CQSZACIVSA-N 303.387 3.779 5 50 DHBA O=[N+]([O-])c1ccc2nc(SCc3cccnc3)sc2c1 211387078 WLQIARPXPAEPET-UHFFFAOYSA-N 303.368 3.892 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1 2774116 DQRQJZJMFRXLQW-UHFFFAOYSA-N 302.355 3.634 5 50 DHBA Cc1ccc2ncnc(NCCc3cccc([N+](=O)[O-])c3)c2c1 170590970 CRKNFKRHAOYDJF-UHFFFAOYSA-N 308.341 3.501 5 50 DHBA CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1 12504479 VNDWQCSOSCCWIP-UHFFFAOYSA-N 309.344 3.994 5 50 DHBA in-vivo C[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 248335181 MOMLIPCTFFGVNI-XJKCOSOUSA-N 302.374 3.778 5 50 DHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 563084 FBCXJERUPCAFNL-UHFFFAOYSA-N 324.258 3.795 5 50 DHBA CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2270876 MXLBGMCLSDOILY-UHFFFAOYSA-N 300.314 3.636 5 50 DHBA Cc1noc([N+](=O)[O-])c1/C=C\c1c(C)nn(-c2ccccc2)c1C 15686445 FYCDWZCJJBVSQK-KTKRTIGZSA-N 324.340 3.864 5 50 DHBA COc1cccc(-c2nc([C@@H]3CCC[C@H]4C[C@@H]43)no2)c1[N+](=O)[O-] 594536389 MLNFMNMEALQFAR-UMNHJUIQSA-N 315.329 3.557 5 50 DHBA Cc1[nH]c2ccccc2c1CCNCc1ccc([N+](=O)[O-])cc1 19798220 LPJBMOAVPLIGLD-UHFFFAOYSA-N 309.369 3.717 5 50 DHBA CC1(C)C[C@]2(O[C@@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 1744778 IDDOVPNRRHNRRQ-MJGOQNOKSA-N 323.348 3.969 5 50 DHBA COc1ccc(NC(=O)c2ccc(C)cc2Cl)c([N+](=O)[O-])c1 4702863 YMQXNHJLQVJJDY-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA Cc1c(C(=O)Nc2cc(Cl)ccc2O)cccc1[N+](=O)[O-] 436598 IRNGWZYUTDXUIE-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA Cc1ccc(Sc2ccc(C(=O)N(C)C)cc2[N+](=O)[O-])cc1 1386989 YDYNEEMBSYFRRO-UHFFFAOYSA-N 316.382 3.756 5 50 DHBA COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 4865795 YCZQGAAYDIXGRF-UHFFFAOYSA-N 322.748 3.878 5 50 DHBA CCC(=O)c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 132036925 BPISPGFGYZBJKT-UHFFFAOYSA-N 316.288 3.579 5 50 DHBA Cc1cc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)ccc1[N+](=O)[O-] 887268484 NCHNXUCMURMSCZ-OAHLLOKOSA-N 300.362 3.585 5 50 DHBA CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 858805 ZFYZAGMRFAWDIH-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 1000117 RGKISLMQPTZUSW-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 4699029 LJOAPBLYOGSESH-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=[N+]([O-])c1cn(CCCc2ccccc2)nc1-c1nccs1 241961364 URUGSKKSEYXDFN-UHFFFAOYSA-N 314.370 3.548 5 50 DHBA Cc1cccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])[nH]n2)c1 442950 ISSOKFFIRYDGMB-UHFFFAOYSA-N 322.324 3.546 5 50 DHBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(Cl)cc1)CCC2 252441411 UHLGCXYOJPRRIZ-XAUMDUMWSA-N 322.856 3.906 5 50 DHBA biogenic COc1cccc(OCCCCOc2ccccc2[N+](=O)[O-])c1 22023101 FLPHHTUERVZUHI-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 456581 SLFDVMGOZYDXOD-ZHACJKMWSA-N 308.337 3.587 5 50 DHBA O=C(CSCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 463335 LNSAHZPQEBIKMS-UHFFFAOYSA-N 320.345 3.606 5 50 DHBA CCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 2297437 RSQCCYLFDYRIEJ-UHFFFAOYSA-N 323.352 3.637 5 50 DHBA O=[N+]([O-])c1ccc(CN2CCc3c([nH]c4ccccc34)C2)s1 19594821 NZAORUHMZKJKOS-UHFFFAOYSA-N 313.382 3.696 5 50 DHBA COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] 2166231 RVZUQDHUEXHXFT-UHFFFAOYSA-N 323.255 3.526 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc(F)cc1 4999055 VPSDGCHXQZPXOO-UHFFFAOYSA-N 319.361 3.529 5 50 DHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 461929 FTBFTWJMQQTCQO-UHFFFAOYSA-N 306.321 3.929 5 50 DHBA Cc1ccc(N/C=C(\[C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c1 3041910 CSMQMKXQLONWMF-KGZWWPETSA-N 324.336 3.745 5 50 DHBA COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 103127 BYTQUSRTIXNKCG-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 449817 WWIUOZIMHNYELX-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)ccc1C 17053165 YYQKLRHDTUBZBB-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA O=c1oc2ccccc2c2ccnc(NCCc3ccco3)c12 1776111909 XFXUCDDJEONUCJ-UHFFFAOYSA-N 306.321 3.589 5 50 DHBA CC(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 441535 IAQSCMHNTDDHMB-UHFFFAOYSA-N 320.370 3.519 5 50 DHBA CCn1ccnc1[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] 281158326 PMNGHCYDSBWIFY-INIZCTEOSA-N 314.389 3.538 5 50 DHBA O=[N+]([O-])c1cnc(Oc2ccc(-n3cccn3)cc2)c(Cl)c1 301387750 WUZVDRRWSUEMGS-UHFFFAOYSA-N 316.704 3.621 5 50 DHBA CC1CCN(c2ccc([N+](=O)[O-])c(Br)c2F)CC1 5073349 KJONMCCZCFKVIB-UHFFFAOYSA-N 317.158 3.733 5 50 DHBA O=[N+]([O-])c1cc(Br)c(Cl)cc1Br 307167573 SANAAYIBGNVNRO-UHFFFAOYSA-N 315.348 3.773 5 50 DHBA O=[N+]([O-])c1c(NCCCc2ccccc2)ccc2nsnc12 5375092 DQTCGBVJXVNWMT-UHFFFAOYSA-N 314.370 3.644 5 50 DHBA COc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br 65336882 VVDLRMZYHRZKOI-UHFFFAOYSA-N 303.156 3.576 5 50 DHBA in-vitro O=[N+]([O-])c1cccc(NC(=S)Nc2cc(Cl)ccc2O)c1 17056761 MAWFXCIXPPZSRK-UHFFFAOYSA-N 323.761 3.763 5 50 DHBA COc1ccccc1OCCCCOc1ccc([N+](=O)[O-])cc1 2906173 OKEMONRDVGLHGS-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 315262 GSTDADMQZFZMJY-UHFFFAOYSA-N 313.338 3.937 5 50 DHBA CC(C)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 318721 ARUFYWXAXJSZAH-UHFFFAOYSA-N 320.370 3.519 5 50 DHBA O=C(O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12 17174465 BAFOFWPLFSJBEB-AATRIKPKSA-N 310.265 3.605 5 50 DHBA Cc1c(NC(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] 611892 ZRFQPIJXYGKLSW-UHFFFAOYSA-N 307.256 3.825 5 50 DHBA COC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2Cl)c1 1728962 IWCXQSCSIYCLEJ-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA CC(=O)c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 1067344 SLPIJEOCCRQURC-UHFFFAOYSA-N 313.338 3.825 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F 444303 QXYQKVZPUCIQKT-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Cc1ccccc1 4616082 OHQKNTHWRNWTEX-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA Cc1ccc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 2838519 JDIITXWKMHWZDR-UHFFFAOYSA-N 316.382 3.942 5 50 DHBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 444928 QIJLIQVSGAPMRW-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA Cc1sc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1[N+](=O)[O-] 251919605 ADUDTQFVMMKVJO-RXGFPQBGSA-N 320.414 3.519 5 50 DHBA C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 306660 QSXMSTSABYAGEI-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1C 4685491 DYANEPABMMNWNH-UHFFFAOYSA-N 316.357 3.841 5 50 DHBA O=[N+]([O-])c1cc(Br)ccc1N1CCC(F)(F)CC1 169725429 IIZSZVRDBKMYLZ-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 265389 JZGSWKBXRILLQZ-UHFFFAOYSA-N 318.716 3.703 5 50 DHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccccc1F 1741911 JPNBPLCVPGATNV-UHFFFAOYSA-N 310.668 3.998 5 50 DHBA C[C@@H]1C[C@@H](C)CN(CCCCOc2ccc([N+](=O)[O-])cc2)C1 2823169 NDJXZQIFAATGJR-HUUCEWRRSA-N 306.406 3.732 5 50 DHBA Cc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] 3086052 BAAPFEAUHWMDHO-UHFFFAOYSA-N 307.256 3.825 5 50 DHBA O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 4856164 BDCUIMGXRQNLKZ-UHFFFAOYSA-N 312.325 3.623 5 50 DHBA Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2s1 193794 QDXYYZIEIYQOPR-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)NN=C(Cc2ccccc2)S1 5018354 MAVGAGYQGJMUDU-MRXNPFEDSA-N 313.382 3.660 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Cl)c1 5061167 VKXQYXCYHIRRAD-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1c2ccccc2C[C@H]1C 17032276 SYDYJXWGUBIGPZ-GFCCVEGCSA-N 311.341 3.886 5 50 DHBA COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 1761925 HPNHVTPCVGPQIC-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])cc1Cl 2557851 QTLWVDIJGVEGIO-UHFFFAOYSA-N 321.716 3.648 5 50 DHBA Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] 4599169 KOKPPSWBLFTOPX-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA CCN(CC)c1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1F 4701100 UTDYWLCVXAPBCZ-UHFFFAOYSA-N 309.385 3.816 5 50 DHBA C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 225263666 OICVNFXGQKMRIJ-MRBYEJRBSA-N 305.334 3.740 5 50 DHBA Cc1nnc(-c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)o1 316768 ZDLIOWDCNXKJSI-UHFFFAOYSA-N 315.260 3.885 5 50 DHBA C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[C@H]1C 239439093 ZKBASTWKARGWAQ-BFVZDQMLSA-N 310.781 3.803 5 50 DHBA Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 476453 JEVBRGXJTILCSF-FNORWQNLSA-N 306.705 3.802 5 50 DHBA O=CNc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-] 3106374 FGVZIFXHZPTHER-UHFFFAOYSA-N 308.746 3.968 5 50 DHBA Cc1cc(Nc2ccccc2)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1 432719 BIBPGEJGKCCEBI-UHFFFAOYSA-N 322.324 3.532 5 50 DHBA C[C@@H]1Cc2ccccc2N1C(=S)Nc1cccc([N+](=O)[O-])c1 611814 NCKNJUSEUIUOKV-LLVKDONJSA-N 313.382 3.743 5 50 DHBA O=C(O)c1ccccc1Nc1nc2ccc([N+](=O)[O-])cc2s1 337921 RMOQESWFRCCZKI-UHFFFAOYSA-N 315.310 3.646 5 50 DHBA Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 4826537 SFTJVOWXSJHUCE-UHFFFAOYSA-N 314.732 3.683 5 50 DHBA Cc1cc(Cl)ccc1OCC(=O)Oc1cccc([N+](=O)[O-])c1 358488 FSCUWLMFZLCYRV-UHFFFAOYSA-N 321.716 3.541 5 50 DHBA COc1cc(C=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 450459 IQJLIAPBNJUKNX-UHFFFAOYSA-N 321.716 3.648 5 50 DHBA CCOc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1 2985121 DJXNFMMEOKTXOG-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])cn2)c1C(F)F 340570704 OZICHQQMWOWJFD-UHFFFAOYSA-N 311.292 3.524 5 50 DHBA C[C@H](Sc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 460188 PGBMSWSZZUNCBC-NSHDSACASA-N 302.355 3.714 5 50 DHBA CCOc1ccccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 471456 VUASLPMOPLTWLP-LBPRGKRZSA-N 314.341 3.736 5 50 DHBA CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 241439958 NNVFVYPAFHMBHY-GUYJKWIASA-N 306.406 3.613 5 50 DHBA Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 374481 WBRBTQNWZCSLOZ-UHFFFAOYSA-N 300.145 3.763 5 50 DHBA CC(=O)Nc1ccccc1Sc1ccc(C=O)cc1[N+](=O)[O-] 469672 IMHXJLJNTOPMBJ-UHFFFAOYSA-N 316.338 3.517 5 50 DHBA Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 616030 PRVAXERIPQCYSV-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 4867534 RYSGHVKXKXWXOL-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 476011 QPDIONPKXGCQFY-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=[N+]([O-])c1cc(CN2CCc3ccccc3C2)ccc1Cl 19536369 TXCKGTQOQKNTCU-UHFFFAOYSA-N 302.761 3.807 5 50 DHBA Cc1ccc(NC(=O)CSCc2ccccc2)cc1[N+](=O)[O-] 612345 IZFYNSJXOYFXNY-UHFFFAOYSA-N 316.382 3.775 5 50 DHBA O=C(c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4904753 ZMTXSKUYSYBJSE-UHFFFAOYSA-N 310.353 3.816 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 103218 XIVXTJVNCOICEO-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 5123977 NIYGIRXWELPUAN-MSUUIHNZSA-N 311.366 3.894 5 50 DHBA CN(C)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 441590 UKBZZMCCZZSAJP-UHFFFAOYSA-N 319.748 3.567 5 50 DHBA O=C(NCCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17055132 MJYQKBNTZYWKMJ-UHFFFAOYSA-N 319.748 3.612 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)/C(Cl)=C\c1ccccc1 86934 MHWUKFSDBOTDHF-NTEUORMPSA-N 302.717 3.813 5 50 DHBA O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2N1)CCC3 427630 DGYMBYOKBOOCNI-OAHLLOKOSA-N 308.337 3.558 5 50 DHBA O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](c1cccnc1)C1CC1 340075983 IZYDSNJYFCUTNJ-CYBMUJFWSA-N 304.737 3.601 5 50 DHBA Cc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C 2828962 VEZCKGYYZCOTGQ-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=C(Nc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4020487 AJCXCBUKTRGNPX-UHFFFAOYSA-N 300.358 3.750 5 50 DHBA C[C@@H](Sc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 460189 PGBMSWSZZUNCBC-LLVKDONJSA-N 302.355 3.714 5 50 DHBA Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] 464127 VLDRBWWSEQSELE-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1Br 2820378 WWZRCFHGINUHLI-UHFFFAOYSA-N 322.114 3.577 5 50 DHBA CC(C)C(NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(C)C 2982818 CQEYIXXYOGNZDA-UHFFFAOYSA-N 324.446 3.625 5 50 DHBA CC1=C[C@H](C)C(=O)N(CC[N@@+]2(C)C[C@@H](C)CC2(C)C)C(C)=C1 255982992 KGSJKMLLYXBMPA-QYWGDWMGSA-N 305.486 3.580 5 50 DHBA O=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12 4024197 KAUMSLOSTWQGCC-UHFFFAOYSA-N 318.130 3.672 5 50 DHBA CC[C@@H](C)[C@H](C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 595 WSWDKMFWJOALEW-QAPCUYQASA-N 304.454 3.598 5 50 DHBA in-man Cc1ccc(C)c(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 325390 JSOOWXBGFFFLLE-YBEGLDIGSA-N 322.320 3.556 5 50 DHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 4867746 HDFNJHKLCNNXLN-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1c2ccccc2C[C@@H]1C 17032278 SYDYJXWGUBIGPZ-LBPRGKRZSA-N 311.341 3.886 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC1C2CC3CC(C2)CC1C3 227990 SRGWXRXXKNMPJW-UHFFFAOYSA-N 302.374 3.840 5 50 DHBA CC[C@@](C)(NCc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 174502363 QIXDKOIXSQTRSD-OAHLLOKOSA-N 305.403 3.775 5 50 DHBA COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 87952 HMASMXIMSMZXNJ-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2ccccc21 102881 VRUKRPGVZMRSGZ-UHFFFAOYSA-N 316.744 3.841 5 50 DHBA COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1 4309319 XUULDIJFWUBGIE-UHFFFAOYSA-N 302.330 3.533 5 50 DHBA O=[N+]([O-])c1c(Br)cc(Cl)cc1Br 238564525 QQGVCPVDRUOKNK-UHFFFAOYSA-N 315.348 3.773 5 50 DHBA COc1cccc(-c2nc([C@@H]3CCC[C@@H]4C[C@H]43)no2)c1[N+](=O)[O-] 594536386 MLNFMNMEALQFAR-CKYFFXLPSA-N 315.329 3.557 5 50 DHBA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-] 380116 FZTQKTRYQFCZHU-UHFFFAOYSA-N 300.145 3.763 5 50 DHBA CCC[C@H](C)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 2865387 AFULMXYHTRFEMQ-VIFPVBQESA-N 320.374 3.602 5 50 DHBA O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1O 3149528 BRZGKQRVZBBKFA-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA CCOc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 464800 CBOQAZRBPQLFBS-VAWYXSNFSA-N 312.325 3.645 5 50 DHBA CC(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4819680 WYDYOZYSVMPIMR-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SC 2874708 ISWLSMWHPQTYRJ-UHFFFAOYSA-N 318.354 3.578 5 50 DHBA COc1ccccc1OCCNc1cc(Cl)ccc1[N+](=O)[O-] 4599228 HLPCGSCGOLXMPH-UHFFFAOYSA-N 322.748 3.748 5 50 DHBA Cc1ccc([C@@H](C)c2c(C)c([N+](=O)[O-])cc(C)c2[N+](=O)[O-])cn1 4713635 MJPYHZZWNGRGOF-LLVKDONJSA-N 315.329 3.975 5 50 DHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4902418 WKAWXRIUKQNKJT-MRXNPFEDSA-N 314.341 3.699 5 50 DHBA C[C@H]1C[C@H](C)CN(CCCCOc2ccc([N+](=O)[O-])cc2)C1 2823170 NDJXZQIFAATGJR-GJZGRUSLSA-N 306.406 3.732 5 50 DHBA CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 366110639 JBZXDKFNIYBIEI-CYBMUJFWSA-N 318.764 3.626 5 50 DHBA COc1ccc(OCCCCOc2ccccc2[N+](=O)[O-])cc1 2906118 OHQLQQWAFMRNIS-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=[N+]([O-])c1cnc(Nc2cccc3ccccc23)c([N+](=O)[O-])c1 3880293 MHFNPHYFRNCBFD-UHFFFAOYSA-N 310.269 3.795 5 50 DHBA Cc1cc(C(=O)Nc2ccc3ncccc3c2)ccc1[N+](=O)[O-] 325628 QBPHPYKOGNJDMJ-UHFFFAOYSA-N 307.309 3.704 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1[N+](=O)[O-] 452545 YCZPCEOTUDNYNA-UHFFFAOYSA-N 314.341 3.808 5 50 DHBA COc1ccc2nc(C)n3c4ccccc4c(NC(C)=O)c3c2c1 196717 GZZSCPGKKYNDJX-UHFFFAOYSA-N 319.364 3.916 5 50 DHBA O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c2nonc12 198505 CQJQSSLHFOYHBO-UHFFFAOYSA-N 324.321 3.830 5 50 DHBA CSc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 609805 LUZLERWPZPWFPS-UHFFFAOYSA-N 302.355 3.877 5 50 DHBA COc1cccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2156201 CQOYVNVZYPGHFS-UHFFFAOYSA-N 322.704 3.868 5 50 DHBA Cc1cc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 330834 PPSJGAWDJFLFTI-UHFFFAOYSA-N 320.732 3.823 5 50 DHBA COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 4541849 FVGRNGOVLMYFIE-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCC2 4750286 NRWLEVSKJMMYTR-UHFFFAOYSA-N 302.355 3.787 5 50 DHBA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4833383 DTAIZIFPGHFSSA-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 859826 OPSGNKISLZMSJT-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA O=C(NC1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 4858731 KJCOAUVZDAEXOK-UHFFFAOYSA-N 314.341 3.917 5 50 DHBA COc1cccc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 127685477 YUTWKPICDZOPFA-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA C[C@H](Nc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 432127518 GRQKPQXBVQKCRB-ZETCQYMHSA-N 317.292 4.243 5 50 DHBA O=C(c1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 272920 MMZDMNXJPNFUFD-UHFFFAOYSA-N 324.380 3.690 5 50 DHBA C[C@H](CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 303860 KOGAOBYLOKITFY-LLVKDONJSA-N 302.305 3.866 5 50 DHBA O=C(Nc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O 2943852 NKOZTLOTKACYIT-UHFFFAOYSA-N 316.316 3.594 5 50 DHBA CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 337787 LEDQYPNYEQFFRC-AWEZNQCLSA-N 314.341 3.736 5 50 DHBA Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-] 556420 ZLISGUNZKGDKST-UHFFFAOYSA-N 307.309 3.704 5 50 DHBA CC[C@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1 2041204 UPPMZCXMQRVMME-WMZOPIPTSA-N 306.470 3.846 5 50 DHBA in-man CC(C)(C)SCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12 4557859 UPGOFVKMPASMQY-UHFFFAOYSA-N 322.386 3.645 5 50 DHBA COc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 447482 LCQPFTPVYOFEAX-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 4070215 YIZUECJBVWAFTP-UHFFFAOYSA-N 314.322 3.562 5 50 DHBA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 4949468 LUCBRCDVOJLKOZ-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA COc1cc(C=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 454570 AVCHPEHEVVLEHR-UHFFFAOYSA-N 321.716 3.648 5 50 DHBA Cc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 1164515 HWMUUKZRFSZLJC-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1 437889 NFFFMCZJUMJFTH-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC(C)(C)C)o1 442636 GKXPZRDNPOPKEC-UHFFFAOYSA-N 302.330 3.692 5 50 DHBA CC(C)CC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CC(C)C)c1 4823639 YEPRRXQOVLEANI-UHFFFAOYSA-N 321.377 3.564 5 50 DHBA O=C(NCC1(c2ccccc2)CCCC1)c1cccc([N+](=O)[O-])c1 168958 RZVPMUSKSUPGPS-UHFFFAOYSA-N 324.380 3.837 5 50 DHBA O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl 259066 AWXRQORTERQSGS-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3 427632 HSBHLBCESVHRBD-OAHLLOKOSA-N 308.337 3.558 5 50 DHBA Cc1c(Cl)cccc1NC(=O)c1ccccc1CC[N+](=O)[O-] 1398086 VNWWKIYBTOCKKX-UHFFFAOYSA-N 318.760 3.720 5 50 DHBA CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 4983636 MHSYEROIJXLHCE-UHFFFAOYSA-N 313.357 3.693 5 50 DHBA O=[N+]([O-])c1ccsc1Sc1nnc(C(F)(F)F)s1 614830339 NPIHVFZFBSOLCO-UHFFFAOYSA-N 313.307 3.678 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1C 4042996 XKEXHYHBCOINTL-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA CCCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4689079 JEMOOPPNCJBZRR-UHFFFAOYSA-N 300.314 3.636 5 50 DHBA O=[N+]([O-])c1ccc(OCCC(F)(F)F)cc1Br 169725345 GJWDHMVBTMNMJO-UHFFFAOYSA-N 314.057 3.689 5 50 DHBA CCOc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 670421871 SXZVCRBHFOICMR-UHFFFAOYSA-N 314.341 3.678 5 50 DHBA Cc1cccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 78744 RHOBHYGVTHOJBA-UHFFFAOYSA-N 311.297 3.532 5 50 DHBA O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])o1 272185 GPTBDZPBDZWVDS-UHFFFAOYSA-N 301.085 3.747 5 50 DHBA Cc1cc(OCC(=O)Oc2ccccc2)c([N+](=O)[O-])cc1Cl 4952461 KOBHDFPVICEFFA-UHFFFAOYSA-N 321.716 3.541 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)c(Cl)c1 4819023 ZBLJLSVOHXQFQY-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=C(Nc1ccc(-n2cccc2)cc1)c1cccc([N+](=O)[O-])c1 4049824 FAOYUZMJRNCSGM-UHFFFAOYSA-N 307.309 3.638 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] 101907 DKIIZJBAJLPGMZ-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 370140 ALEQVPXYNQUBIY-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)c(C)c1 4014068 ATRVJNVDWULIPR-UHFFFAOYSA-N 320.732 3.823 5 50 DHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 252585139 GLKPRRXQYMSHFU-BDJLRTHQSA-N 313.313 3.700 5 50 DHBA C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 123338 GHGCCJAKGPIRJG-JTQLQIEISA-N 304.733 3.739 5 50 DHBA CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 2865386 AFULMXYHTRFEMQ-SECBINFHSA-N 320.374 3.602 5 50 DHBA CCCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 2989176 CCGVUMWRTJGPDF-UHFFFAOYSA-N 300.314 3.636 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F 456240 XKTUIIDQEYOIQG-QPJJXVBHSA-N 304.252 3.525 5 50 DHBA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4833384 DTAIZIFPGHFSSA-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA O=C(OCc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] 616052 FJSLSQMOVCGFBZ-UHFFFAOYSA-N 309.680 3.744 5 50 DHBA CCN(CC)CCC/N=c1\cc[nH]c2cc3ccccc3cc12 5781867 KTSYTPMUPYCPFS-UHFFFAOYSA-N 307.441 3.954 5 50 DHBA CCc1cc2c(s1)S[C@@H](c1ccc([N+](=O)[O-])cc1)NC2=O 185094 OQEBAEWCGIGZOI-ZDUSSCGKSA-N 320.395 3.753 5 50 DHBA CCCc1cc(=O)[nH]c(/C(=C/c2csc([N+](=O)[O-])c2)CC)n1 193615857 UDVVYPCMIDXMNV-IZZDOVSWSA-N 319.386 3.643 5 50 DHBA Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 323813 MIKIQKIZQRCLBP-UHFFFAOYSA-N 322.324 3.532 5 50 DHBA CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1[N+](=O)[O-] 3894597 QWVSNHRZJQSBTR-UHFFFAOYSA-N 312.322 3.861 5 50 DHBA Cc1nn2c3cc(N4CCCC4)ccc3nc2c2ccccc12 558806 CFEUHTVTYBCRST-UHFFFAOYSA-N 302.381 3.944 5 50 DHBA COc1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] 2906306 GDUVLBHVQKOITA-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1Cl 4587792 ZKIZIYLXEIHPEA-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4821327 JXWDPNYISACYQM-UHFFFAOYSA-N 300.314 3.634 5 50 DHBA O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc(Br)cc1 12336378 WLKHAJFGWSZCJC-UHFFFAOYSA-N 322.114 3.723 5 50 DHBA CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C 466490 UDZATLQNJLKWLX-JLHYYAGUSA-N 310.353 3.970 5 50 DHBA O=[N+]([O-])c1ccc(-c2noc(CSc3ccccc3)n2)cc1 471306 SIOGMIGMTGKVRL-UHFFFAOYSA-N 313.338 3.937 5 50 DHBA C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 315023 SWWSRIXWBINTKY-LHNRBYRGSA-N 324.380 3.746 5 50 DHBA COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1OC 4685487 ORRWYEJVTXGNEP-UHFFFAOYSA-N 302.330 3.533 5 50 DHBA Cc1cc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)ccc1[N+](=O)[O-] 887268483 NCHNXUCMURMSCZ-HNNXBMFYSA-N 300.362 3.585 5 50 DHBA CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5093839 NWKIINIRSGRGGA-UHFFFAOYSA-N 314.341 3.944 5 50 DHBA aggregator COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)c1ccccc1 319162 XUOYCWOAVHYVOD-GFCCVEGCSA-N 314.341 3.736 5 50 DHBA Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C 433817 PJPVQTHKMXEPJX-UHFFFAOYSA-N 311.750 3.574 5 50 DHBA O=c1c2c(ncn1-c1ccc([N+](=O)[O-])cc1)sc1ccccc12 5739737 ZBQZJLJJWBCITR-UHFFFAOYSA-N 323.333 3.509 5 50 DHBA C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 301372711 UUCNNQMLLDSWLI-NSHDSACASA-N 310.313 3.818 5 50 DHBA C[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 337749 UTMGXOZRAGBIMI-SNVBAGLBSA-N 320.732 3.654 5 50 DHBA O=C(COc1ccc2ccccc2c1)Oc1ccccc1[N+](=O)[O-] 358729 HPXWBPGBQCMBMN-UHFFFAOYSA-N 323.304 3.732 5 50 DHBA O=[N+]([O-])c1ccc(OCCOc2cccc3cccnc23)cc1 2985673 MSNUJSLLCFEPRN-UHFFFAOYSA-N 310.309 3.601 5 50 DHBA O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1c1nccs1 195369581 WXPVHELCIUVDPZ-AWEZNQCLSA-N 303.387 3.779 5 50 DHBA O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)cn2c1 480119 OYPAQDHUSQPOCF-UHFFFAOYSA-N 318.130 3.672 5 50 DHBA C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N5CCC=C([C@H]1C[C@H]32)[C@@H]54 248086796 SNZBRPHFZNCAHW-MBXNEKCBSA-N 319.472 3.642 5 50 DHBA CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 103132 UXHKJVPAVGTXAD-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 4868837 XRCGIFBTFRTMRY-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)c(Br)c1 169725377 CLECJLVQPYVGKX-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA C/C=C1\C[N@+]2(C)CC[C@@]34c5ccccc5N5CCC=C([C@H]1C[C@H]32)[C@H]54 248086798 SNZBRPHFZNCAHW-QUTBVGNUSA-N 319.472 3.642 5 50 DHBA COc1cc(C)ccc1OCCOc1ccc(C)cc1[N+](=O)[O-] 2985156 UEIKGEZJKIKAJU-UHFFFAOYSA-N 317.341 3.678 5 50 DHBA C[N+]1(Cc2ccccc2)CCC(C(=O)OCC2CCCC2)CC1 13818263 RFPXAPGVFRTTHX-UHFFFAOYSA-N 316.465 3.777 5 50 DHBA in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1 4599187 LZPIQOQGEKGISH-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C)cc1 4919525 WTTGYWUFHMKNFZ-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O 305052 MEYOWHBLKKKZAL-UHFFFAOYSA-N 323.304 3.811 5 50 DHBA O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccc(F)cc1 4119379 LMZARVNLXUEYCP-UHFFFAOYSA-N 310.712 3.878 5 50 DHBA COc1c(C)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4841042 ZABVZTSLMPKHSI-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 435936 XFPPSSNWCYDUNC-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 2951169 MUUZVNOXCYGOTK-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CCOc1ccc(NC(=O)c2ccc(CC)s2)c([N+](=O)[O-])c1 4750322 DBZSCLHBAUALEG-UHFFFAOYSA-N 320.370 3.870 5 50 DHBA O=[N+]([O-])c1ccc(Sc2ncnc3scnc23)c(Cl)c1 1875341770 HDAXOXLZUDIUCR-UHFFFAOYSA-N 324.774 3.799 5 50 DHBA O=C(CSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 365221 AUABVCYRPARAPK-UHFFFAOYSA-N 314.322 3.711 5 50 DHBA Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2n1 2766436 BWGAHHITLORLJM-UHFFFAOYSA-N 308.293 3.671 5 50 DHBA Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1O 4833020 QDMGGJMAACUHSB-UHFFFAOYSA-N 321.716 3.619 5 50 DHBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccccc1 2534632 PJBINEMZVFHXBU-VQHVLOKHSA-N 316.744 3.578 5 50 DHBA COc1ccc2nc3c([N+](=O)[O-])ccc(Cl)c3c(O)c2c1 3833331 WUQQKUISNKRKFK-UHFFFAOYSA-N 304.689 3.664 5 50 DHBA Cc1cccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 4118299 BTSHTAJTINCNSU-UHFFFAOYSA-N 302.355 3.634 5 50 DHBA COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 441751 BOARUGOVBNUXKK-UHFFFAOYSA-N 314.341 3.781 5 50 DHBA O=C(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 174176 SXYMUGJXZKDIRK-UHFFFAOYSA-N 306.115 3.588 5 50 DHBA in-vitro O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 430469 RIWIKYQSVVZNGJ-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA O=C(Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 260692 ANGXMTLCIYYHTQ-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 860198 JUURSVLUIGZMCZ-CQSZACIVSA-N 312.369 3.654 5 50 DHBA CCCOc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 2545775 IDMAJOJRTRWMBE-UHFFFAOYSA-N 314.297 3.742 5 50 DHBA CCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 17053124 LBVICXYITCRWKZ-UHFFFAOYSA-N 315.329 3.810 5 50 DHBA CCOc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 2991345 PAZIZTSIYRBOQO-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA CCN(CC)c1cc(N2CCCCCC2)c([N+](=O)[O-])cc1F 4706646 BEKSBADIWLJLSB-UHFFFAOYSA-N 309.385 3.961 5 50 DHBA CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 5285054 QESGLGOLKRCSGO-MRXNPFEDSA-N 311.345 3.606 5 50 DHBA CCN(CC)C(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 4833847 JQSPQEAHYDFNSN-UHFFFAOYSA-N 314.341 3.869 5 50 DHBA Cn1ncc2c(-c3cccnc3)c3oc4cc(O)ccc4c3nc21 252482077 CXLUYNIUIGNEMT-UHFFFAOYSA-N 316.320 3.635 5 50 DHBA COc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 299616 ZDSBHAQXBDRUGV-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 272749 LFHQVOUOJFCYIJ-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5794613 VAPSZZZZVHOMKT-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA CCCCCOc1cc(N)c([N+](=O)[O-])cc1Br 65336872 OHZWPVYCXDSWFZ-UHFFFAOYSA-N 303.156 3.509 5 50 DHBA in-vitro CC(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2696780 LDHMTRWEUUGDNK-UHFFFAOYSA-N 305.359 3.703 5 50 DHBA NC(=O)C1CCN(Cc2c3ccccc3cc3ccccc23)CC1 4987144 UTGUTCRPOFILGS-UHFFFAOYSA-N 318.420 3.690 5 50 DHBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12 43193705 CMVXRPPPDVLWOC-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA COc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4036959 XLMHJZQASWGTIK-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CC(C)Oc1nc(SCc2cncs2)ccc1[N+](=O)[O-] 2325789872 SSEKMEVGLIYAEN-UHFFFAOYSA-N 311.388 3.526 5 50 DHBA Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4014064 KEUHSXBZJKDXQD-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA O=C(OCc1ccc([N+](=O)[O-])cc1)C(Cl)=C(Cl)Cl 3080877 CSGGUSLSEOTICZ-UHFFFAOYSA-N 310.520 3.524 5 50 DHBA CCOc1cc(NC(C)C)c([N+](=O)[O-])cc1Br 74937721 OOYVHFHUOZHVFE-UHFFFAOYSA-N 303.156 3.576 5 50 DHBA in-vitro Oc1ncc2ccc3c4cc(Br)ccc4[nH]c3c2n1 498049501 YQVNHQYNGXPYHN-UHFFFAOYSA-N 314.142 3.732 5 50 DHBA COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 4602617 GKDLXKWDSQTDCQ-GFCCVEGCSA-N 314.341 3.736 5 50 DHBA COc1ccc(CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 23634768 QOOFKYKLZIBUCP-UHFFFAOYSA-N 315.354 3.772 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)OCCOc1ccccc1 1753382 ZPIHQQGGHSGURF-UHFFFAOYSA-N 316.313 3.531 5 50 DHBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F 4800781 VJPGDLIGXPVSSG-UHFFFAOYSA-N 310.668 3.998 5 50 DHBA NC(=O)[C@H]1CCCN(Cc2c3ccccc3cc3ccccc23)C1 4987353 JQTOJLJEIRRHEG-KRWDZBQOSA-N 318.420 3.690 5 50 DHBA COc1ccc(NC(=O)CSC2CCCCC2)c([N+](=O)[O-])c1 6658394 IIEVDCZAISWHEH-UHFFFAOYSA-N 324.402 3.608 5 50 DHBA COc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1 4078951 PELOEQDOYIGWOO-UHFFFAOYSA-N 322.748 3.748 5 50 DHBA CCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 438240 PMONZIHPOSSCKM-LFYBBSHMSA-N 312.325 3.645 5 50 DHBA O=[N+]([O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)o1 16310497 KAFNFLPRHDVIJJ-UHFFFAOYSA-N 300.358 3.643 5 50 DHBA CCCCNc1cc(OC)c(Br)cc1[N+](=O)[O-] 65336898 LJMISLNQOMYFLF-UHFFFAOYSA-N 303.156 3.578 5 50 DHBA in-vitro Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 598306061 QBPRQIWKBCQBSO-NVXWUHKLSA-N 310.353 3.579 5 50 DHBA Cc1ccc(-n2cc(C=O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 732190 DCEVNQYGNZHCCP-UHFFFAOYSA-N 307.309 3.568 5 50 DHBA O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 4690913 ZICCGJFFJCKFSD-UHFFFAOYSA-N 304.733 3.820 5 50 DHBA O=C(OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 2849689 CTPMDWADPNRNQH-UHFFFAOYSA-N 309.680 3.744 5 50 DHBA O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccccc2)no1 467147 VERLWQQKPGBIIH-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 1230028 KPDFHLSRJCZUTL-UHFFFAOYSA-N 306.321 3.929 5 50 DHBA O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCCC1 4137910 KOJCXWQDVILXDW-UHFFFAOYSA-N 307.369 3.715 5 50 DHBA CCCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5094329 IDQNURREQDMLLL-UHFFFAOYSA-N 314.341 3.944 5 50 DHBA O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 5059916 YEPZDEHKZOGZSC-UHFFFAOYSA-N 311.337 3.735 5 50 DHBA O=C(N[C@@H]1CCCc2occc21)c1c(Cl)cccc1[N+](=O)[O-] 110312829 YRGAEVDKZJCBTB-LLVKDONJSA-N 320.732 3.649 5 50 DHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 183889 YDHCOUVZJVOYMB-UHFFFAOYSA-N 324.258 3.795 5 50 DHBA CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 36040095 PHKCNXWTVZGKLM-UHFFFAOYSA-N 306.240 3.961 5 50 DHBA in-vitro Cc1ccc2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2n1 180137261 ZCTHEVPFGUHVCG-UHFFFAOYSA-N 321.336 3.728 5 50 DHBA COc1cc(C)ccc1OCCCOc1ccccc1[N+](=O)[O-] 2985093 FNPAHVOKAJTLPN-UHFFFAOYSA-N 317.341 3.760 5 50 DHBA COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 284722 YGWBMLVVZVGJEE-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 240178 ASXWETYJQTVLMW-MRXNPFEDSA-N 314.366 3.682 5 50 DHBA Cc1cc(Cl)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 453119 VFABZKKRTMCSPP-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nccc2sccc12 192466698 WOSZTXXIMSJFJK-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA COc1ccc(Cl)c(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1 77031528 HAEVOZUCOYDDGS-UHFFFAOYSA-N 307.689 3.622 5 50 DHBA in-vitro Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2sccc21 192491881 XMGHBFNHAURJND-LBPRGKRZSA-N 316.382 3.772 5 50 DHBA O=[N+]([O-])c1ccc(NCCc2nc3ccccc3[nH]2)c(Cl)c1 3878106 BGAGBDAFWIXVCJ-UHFFFAOYSA-N 316.748 3.779 5 50 DHBA Cc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 587213 VAEHHKIKUKDVRI-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F 451277 RUDKDMQODZTUDU-UHFFFAOYSA-N 308.696 3.569 5 50 DHBA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 122634 JWMUUGRLVHIBPU-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl 1074240 QYPFVINFUWPPFP-UHFFFAOYSA-N 309.680 3.744 5 50 DHBA O=[N+]([O-])c1ccc(Sc2cc(C(F)(F)F)ncn2)cc1 261494775 FVSCDXBZTODOID-UHFFFAOYSA-N 301.249 3.555 5 50 DHBA Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 179939 QMLFQXOVHUKFMP-MRXNPFEDSA-N 314.366 3.682 5 50 DHBA CC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 258985 VKCPTVUQONTBOW-UHFFFAOYSA-N 318.716 3.703 5 50 DHBA CN1C(=CN=O)N(CCCCCC[N+](C)(C)C)c2ccccc21 1857525271 MPKDBOGHKOYXKP-UHFFFAOYSA-N 317.457 3.775 5 50 DHBA O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccco1 86985 YYTRLXXIEMDJIO-UHFFFAOYSA-N 306.273 3.758 5 50 DHBA biogenic COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 461253 AANZEFIZELICJA-UXBLZVDNSA-N 312.325 3.564 5 50 DHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Cl 464537 GHQGPISGCJIZJX-MDZDMXLPSA-N 302.717 3.900 5 50 DHBA Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1F 5041604 RGGWLGFWEZCKNV-UHFFFAOYSA-N 305.334 3.851 5 50 DHBA Cn1ncc2c(-c3ccco3)c3oc4cc(O)ccc4c3nc21 253413678 VKHFOHAZPMJXMF-UHFFFAOYSA-N 305.293 3.833 5 50 DHBA biogenic Cc1ccc([C@@H](C)NCc2coc(C(C)C)n2)cc1[N+](=O)[O-] 253429928 OXBKPILYZPUCEZ-GFCCVEGCSA-N 303.362 3.865 5 50 DHBA O=[N+]([O-])c1cccc(COc2ccc(Br)cc2)c1 472062 WTXUPWNYUIEZBY-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA C[C@H](C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 472046 LWVFIFVLSBRVKD-JTQLQIEISA-N 304.733 3.990 5 50 DHBA CC1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 4188716 UVPOKNLXQJBKMR-UHFFFAOYSA-N 307.369 3.570 5 50 DHBA C[C@H](C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 471193 OSYQPVDUWMHJSU-NSHDSACASA-N 318.760 3.668 5 50 DHBA Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] 248000929 SGFBVNCKAFYKQV-OFQRWUPVSA-N 316.401 3.992 5 50 DHBA C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 4520401 MAIPNGKCZNLSRR-DKHPWKACSA-N 318.373 3.523 5 50 DHBA CCc1cc2c(s1)S[C@H](c1ccc([N+](=O)[O-])cc1)NC2=O 185097 OQEBAEWCGIGZOI-CYBMUJFWSA-N 320.395 3.753 5 50 DHBA Cc1csc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 4828860 PKRQTDNPTXCTGF-UHFFFAOYSA-N 312.738 3.657 5 50 DHBA Cc1c(O)ccc2c1oc1c(-c3cccnc3)c3cn[nH]c3nc12 218380828 UNWFMDKYTVQLSG-UHFFFAOYSA-N 316.320 3.933 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1C 122311 ZILRKADEQVPBEQ-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 457083 QJGVETOTGDWCDM-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1[N+](=O)[O-] 1795891 VGIJODHQJCGSNL-GFCCVEGCSA-N 308.378 3.548 5 50 DHBA Nc1ccc(OCc2ccc(Br)cc2)cc1[N+](=O)[O-] 204913110 VCYNIFPFDJMURS-UHFFFAOYSA-N 323.146 3.519 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 5465512 PVEGSZRHAFIKST-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA O=[N+]([O-])c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 3900019 SMIRXXSRODYDGQ-UHFFFAOYSA-N 324.384 3.643 5 50 DHBA O=[N+]([O-])c1ccc(CNc2ccc(Br)cc2)cc1 182881 LGBKNMBMJZIWBS-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 557437 HQRPZJRFYHMNFI-UHFFFAOYSA-N 317.345 3.595 5 50 DHBA CCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 2064507 HOHOEQLILBSSHX-UHFFFAOYSA-N 318.304 3.775 5 50 DHBA Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1Cl 4131786 OENOCPALKUYRPA-UHFFFAOYSA-N 304.693 3.836 5 50 DHBA Cc1c(NC(=O)c2csc([N+](=O)[O-])c2)noc1C(C)(C)C 1287995125 FIEVVXFUIKWXRD-UHFFFAOYSA-N 309.347 3.503 5 50 DHBA CNc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)nc1C 352213 ZQHVIMHCHJILHG-UHFFFAOYSA-N 308.341 3.798 5 50 DHBA Cc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 141817 SCZFTPKVHUWDBW-UHFFFAOYSA-N 302.355 3.634 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 465145 AMGYLMGZYDCPDY-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=[N+]([O-])c1ccc(NCn2c(=S)oc3ccccc32)cc1 5280517 SNFKTFRUUAEDKY-UHFFFAOYSA-N 301.327 3.942 5 50 DHBA C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 229775825 IDIFVISGSORTQY-WFASDCNBSA-N 318.398 3.618 5 50 DHBA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4810957 YFXJMEJIEHLLTR-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1Cl 4131791 JJJVRQOAQIFJLZ-UHFFFAOYSA-N 304.693 3.836 5 50 DHBA CCN(CC)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4832573 WPGXPGDZFULZRM-UHFFFAOYSA-N 314.341 3.869 5 50 DHBA Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4680018 AUMPEKIGCZEIRW-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=[N+]([O-])c1ccccc1OCCCOc1cccc2cccnc12 2991076 RMUJWQCQUNZRSE-UHFFFAOYSA-N 324.336 3.991 5 50 DHBA Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1[N+](=O)[O-] 175580 CWRLQPZGBDBFJG-UHFFFAOYSA-N 307.309 3.704 5 50 DHBA O=C(NCC1(c2ccccc2)CCCC1)c1ccccc1[N+](=O)[O-] 168967 DIXLBLOGNGTLGK-UHFFFAOYSA-N 324.380 3.837 5 50 DHBA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4689115 IIXRLFXSTGHNQE-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(F)cc1 4771272 NVVSIIRVMCYSID-UHFFFAOYSA-N 310.668 3.998 5 50 DHBA O=C(CSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 460158 TYUPZCPXQOCFEU-UHFFFAOYSA-N 322.773 3.979 5 50 DHBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5009738 YUBPICZDBQJRIU-JTQLQIEISA-N 320.732 3.654 5 50 DHBA O=C(/C=C/c1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 476588 WDJUJRFYOLXPTJ-GQCTYLIASA-N 308.746 3.962 5 50 DHBA CCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3191677 TZVGORHPWFZOAS-UHFFFAOYSA-N 305.359 3.847 5 50 DHBA Cc1cc(C)n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 4050639 QLCFBZDNMRLUIJ-UHFFFAOYSA-N 300.343 3.521 5 50 DHBA C[C@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 245311706 QOCBDJRLSKCDKO-PZTHBURQSA-N 303.358 3.822 5 50 DHBA O=[N+]([O-])c1cccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)c1 4653958 NIOORYSMSMLENJ-NPQPELAPSA-N 320.414 3.639 5 50 DHBA CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] 310566 VPZQTESUPGDVFZ-UHFFFAOYSA-N 314.341 3.863 5 50 DHBA Cc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4701521 GAJMWLTXWHFRMC-UHFFFAOYSA-N 310.353 3.734 5 50 DHBA O=C(O[C@H]1C=C[C@@H]2CC[C@@H]3CC[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 71785736 JRZRZDAXZSLBIC-XIVGLXKZSA-N 313.353 3.742 5 50 DHBA Cc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 436435 JUPVOEAQOUGPGR-UHFFFAOYSA-N 320.142 3.897 5 50 DHBA COc1ccc(Nc2c([N+](=O)[O-])ccc(Cl)c2C(=O)O)cc1 4285559 TUMPLVXSHCYVQG-UHFFFAOYSA-N 322.704 3.699 5 50 DHBA CCO[C@@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 4612939 PIPVNMOXKPPQBP-QGZVFWFLSA-N 311.341 3.572 5 50 DHBA O=[N+]([O-])c1ccc(O)c(/C=C/c2ccc3cccc(O)c3n2)c1 36245335 JZHOPTWQXFFLJE-FNORWQNLSA-N 308.293 3.725 5 50 DHBA CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 102861 UPCMMHIESFHFSG-UHFFFAOYSA-N 304.733 3.915 5 50 DHBA Cc1ccc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1C 4795217 GTBYJDRFOQBABB-UHFFFAOYSA-N 304.277 3.962 5 50 DHBA COc1cccc(=O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)c(C)c12 488066 QSTBYOVTDDNRQS-UHFFFAOYSA-N 324.336 3.524 5 50 DHBA biogenic C/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 4600427 DPEGLSWWLURPAX-PKNBQFBNSA-N 300.289 3.776 5 50 DHBA Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 611925 MUEKZZPZFOLCCF-UHFFFAOYSA-N 317.370 3.610 5 50 DHBA COC(=O)c1ccc(Sc2ccccc2C)c([N+](=O)[O-])c1 122295 JYUIGHULZMFAPH-UHFFFAOYSA-N 303.339 3.841 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 101991 WZMPUDWIMUBLQJ-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CCOc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 102939 QLCUKSIHWAZWHU-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 310422 RQPGAZUJOYLGCZ-UHFFFAOYSA-N 322.267 3.524 5 50 DHBA CC(C)Oc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 373691 IKTJLBAHKNVMJG-UHFFFAOYSA-N 318.304 3.773 5 50 DHBA COc1cc(/C=C/[N+](=O)[O-])cc(OCc2ccccc2)c1OC 3122432 QSBJLFLUOPLMRO-CMDGGOBGSA-N 315.325 3.530 5 50 DHBA CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OC 4839800 FGMYSWVEJWZWOJ-UHFFFAOYSA-N 302.330 3.614 5 50 DHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O 34120423 VNNUHDFHFJJCTC-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA O=[N+]([O-])c1ccccc1CNc1ccc(Br)cc1 438690 RYAGDTNOLBEPAB-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(C2CC2)cs1 539337 IIFYFWZNUJQQRM-UHFFFAOYSA-N 314.322 3.702 5 50 DHBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)N(c1ccccc1)CCS2 3877514 YXUHSWHNUGGMRZ-UHFFFAOYSA-N 317.326 3.747 5 50 DHBA O=C(NCCC1=CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] 441468 QKDIKBRVBFZHBP-UHFFFAOYSA-N 308.765 3.869 5 50 DHBA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 2660107 UHWNVRNVKNHZPM-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 473645 AFJFONXRHKIAHO-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 4927478 WRVHOEZZJJKDIM-INIZCTEOSA-N 311.341 3.794 5 50 DHBA CCC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 303327 IIZVJWVCBJLBFN-UHFFFAOYSA-N 313.309 3.715 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 442891 MPGBJKNSHZPLBF-UHFFFAOYSA-N 315.716 3.889 5 50 DHBA Cc1noc([N+](=O)[O-])c1/C=C/c1c(C)nn(-c2ccccc2)c1C 15686448 FYCDWZCJJBVSQK-MDZDMXLPSA-N 324.340 3.864 5 50 DHBA C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 303929 RQJITJMAOXALKD-NSHDSACASA-N 302.305 3.866 5 50 DHBA CCOc1ccc([N+](=O)[O-])cc1COc1ccccc1C(C)=O 2166685 VPBXWKGVYKIOBM-UHFFFAOYSA-N 315.325 3.775 5 50 DHBA O=[N+]([O-])c1cnc(N2CC3(CCCC3)[C@@H]2c2ccccc2)nc1 408520974 DGJVSIZXVXMLRZ-HNNXBMFYSA-N 310.357 3.507 5 50 DHBA O=[N+]([O-])c1ccccc1C=C(Br)Br 139126906 DOGWIGUULRYFQB-UHFFFAOYSA-N 306.941 3.683 5 50 DHBA O=[N+]([O-])c1ccc2c(c1)ncn2-c1ccc(Br)cc1 4543035 QHNATHYYHYCSIF-UHFFFAOYSA-N 318.130 3.696 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1 72028 HGIOPNRUZUDXTQ-UHFFFAOYSA-N 320.352 3.805 5 50 DHBA CC(=O)OCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C 1421010 HPLRZGABLIDBIC-UHFFFAOYSA-N 324.336 3.817 5 50 DHBA O=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 4902766 BPKFRLNHVIQVII-RUDMXATFSA-N 302.717 3.900 5 50 DHBA Cc1c(NC(=S)Nc2cccc(F)c2)cccc1[N+](=O)[O-] 611899 AWRDGBPTPVEFJZ-UHFFFAOYSA-N 305.334 3.851 5 50 DHBA CCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 5051294 OKAMERALLQAISH-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1 4104361 DWPKQAVSBMFDJS-UHFFFAOYSA-N 302.330 3.601 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1ccccc1 319094 SYEWSDYAZGMBCI-UHFFFAOYSA-N 314.341 3.565 5 50 DHBA O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 2665575 FHSFUCNKKOYZKD-UHFFFAOYSA-N 317.282 3.795 5 50 DHBA COc1ccc(NC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 5062964 HUOAZLSYKXHBJS-UHFFFAOYSA-N 323.255 3.526 5 50 DHBA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[N+](=O)[O-] 380117 FXWDIQGUFHPIDD-UHFFFAOYSA-N 300.145 3.763 5 50 DHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Cl)c2O)c(C)c1 4993617 KCKBRKDHIHXWDN-UHFFFAOYSA-N 320.732 3.823 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F 460170 RUGASMMRAOJUNC-FPYGCLRLSA-N 304.252 3.525 5 50 DHBA O=C(O)c1cccc(COc2ccc([N+](=O)[O-])cc2Cl)c1 1728963 VMWNQMAQVXLDIL-UHFFFAOYSA-N 307.689 3.525 5 50 DHBA CC(=O)c1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 1753510 DBJMNKBVYHMWRJ-UHFFFAOYSA-N 318.260 3.547 5 50 DHBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2o1 34973 PUQZCNGJALKKBE-UHFFFAOYSA-N 308.249 3.509 5 50 DHBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 475519 PXWYUIWAGWVOCG-LLVKDONJSA-N 314.316 3.715 5 50 DHBA CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2 100636609 PUKULTUZYBZIOM-UHFFFAOYSA-N 322.364 3.569 5 50 DHBA Cc1cc2ncn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c2cc1C 5093833 PDPPMJJULKCQRA-UHFFFAOYSA-N 309.325 3.558 5 50 DHBA CC1(C)C[C@H]2C[C@@](C)(CN2c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 100019471 KYQBVAJBHJTDDX-YVEFUNNKSA-N 318.373 3.698 5 50 DHBA CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2774151 AQNKUGNUUVXILY-BRADTZPFSA-N 304.390 3.941 5 50 DHBA O=[N+]([O-])c1c(Br)cccc1OCCC(F)(F)F 169725368 SLNKPBSPFQNQNO-UHFFFAOYSA-N 314.057 3.689 5 50 DHBA Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 59876 MVJSBNNZSHYBAF-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA CC(C)=CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 148985 HFOTWGDWNKBFGX-UHFFFAOYSA-N 303.343 3.623 5 50 DHBA C[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 471384 KSWAUQRCAXOIRZ-SNVBAGLBSA-N 304.733 3.990 5 50 DHBA CSc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 4927448 MUBBOXGXZYWZGQ-UHFFFAOYSA-N 303.343 3.961 5 50 DHBA O=C(NCCc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 621333 DNPQHUNBAVOUPV-UHFFFAOYSA-N 319.748 3.612 5 50 DHBA COc1ccc2c(c1)C=Cc1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 2186343 RASRTBLDUZCBAH-UHFFFAOYSA-N 314.253 3.788 5 50 DHBA Cc1c(C(=O)OC(C)(C)C)cc(Br)cc1[N+](=O)[O-] 601014748 APYWNPYPIRBBLT-UHFFFAOYSA-N 316.151 3.621 5 50 DHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 101901357 VWIFXHNXLPGKEG-MPPDQPJWSA-N 322.792 3.803 5 50 DHBA Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 92332 HDGWMMQSXLWICT-UHFFFAOYSA-N 314.341 3.985 5 50 DHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1 135219 QKGACVITUAPJNU-UHFFFAOYSA-N 317.301 3.596 5 50 DHBA CC[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 442318 LHSRHIJJVTXHEJ-INIZCTEOSA-N 314.341 3.699 5 50 DHBA O=[N+]([O-])c1ccc2nonc2c1Nc1cccc(C(F)(F)F)c1 3879050 IBJZYVNVTABIBX-UHFFFAOYSA-N 324.218 3.893 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 441485 ZHJMVEKZVYIXCZ-FPYGCLRLSA-N 304.252 3.525 5 50 DHBA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])o1 451112 RKUDBXPUQWKLJG-UHFFFAOYSA-N 308.293 3.692 5 50 DHBA Cc1ccc(NC(=O)COc2ccccc2Cl)cc1[N+](=O)[O-] 94394 ABYLGDAZAWNWEI-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 180076 AVWLSBMPINCXEE-MRXNPFEDSA-N 314.366 3.682 5 50 DHBA O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 859630 HLPJSOUJQCIANM-UHFFFAOYSA-N 302.305 3.695 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4550329 BQMBCYMGGAADNW-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA Cc1ccc(Oc2c(C=O)c3ccccc3n2C)c([N+](=O)[O-])c1 168729 FKZAFSOKSSJALQ-UHFFFAOYSA-N 310.309 4.000 5 50 DHBA CCOc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 371525 ZWQFBRPDEMOSAY-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1cc(C)cc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)c1 437528 HKFOBKHXPHNEOD-UHFFFAOYSA-N 300.314 3.552 5 50 DHBA O=C(O[C@H]1C=C[C@@H]2CC[C@@H]3CC[C@@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 230116509 JRZRZDAXZSLBIC-PQTROMPISA-N 313.353 3.742 5 50 DHBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 258891 RBSRVSPQBYSSNA-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl 259065 ARTCUTQGUVJVLD-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA COc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 4852079 CZJWOOZDYYIQMS-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA O=[N+]([O-])c1ccc(Br)cc1OCCC(F)(F)F 169725424 ORVVWEUPQGWPNK-UHFFFAOYSA-N 314.057 3.689 5 50 DHBA CCOc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471740 JSRFXFPBFMHRFA-GFCCVEGCSA-N 314.341 3.736 5 50 DHBA Cc1sc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1[N+](=O)[O-] 251919592 ADUDTQFVMMKVJO-NAWOPXAZSA-N 320.414 3.519 5 50 DHBA Cc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] 476321 PAGMRKVFKIGCJT-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1Br 169725336 RQWGXGIOFGSPIX-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OC(C)C)cc1 4803130 BABSRPRKFMASHA-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 4765499 ZQUPAMOQSBEXII-UHFFFAOYSA-N 314.345 3.613 5 50 DHBA Cc1cccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 459568 HDZQJNOHAPUYOS-UHFFFAOYSA-N 311.297 3.532 5 50 DHBA COc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2170553 OWBBJEZFTOZHHC-AATRIKPKSA-N 300.270 3.682 5 50 DHBA O=[N+]([O-])c1c(NCc2cccc(Cl)c2)nc2sccn12 4024237 MVZJMLTVHBOSHV-UHFFFAOYSA-N 308.750 3.570 5 50 DHBA O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4698383 GUHVKAPDQTZCNO-UHFFFAOYSA-N 315.369 3.968 5 50 DHBA CC(C)COc1ccc(/C=C/[N+](=O)[O-])cc1Br 4842168 WJOSIFUYLAWOAS-AATRIKPKSA-N 300.152 3.731 5 50 DHBA Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 102056 DUJRVEWWPMCTQV-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA COc1ccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4799799 FNGYFMPSQBWNKX-UHFFFAOYSA-N 302.286 3.523 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1 4600563 LTNWLFRWYJGIEQ-LBPRGKRZSA-N 314.341 3.736 5 50 DHBA COc1ccc(NC(=O)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 4602615 GKDLXKWDSQTDCQ-LBPRGKRZSA-N 314.341 3.736 5 50 DHBA C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 241213345 KOFNBXFPVFPOHV-UHIISALHSA-N 307.419 3.706 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(F)cc1 461674 OCDFKUYOLSOEHZ-WEVVVXLNSA-N 300.289 3.694 5 50 DHBA CCC[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 618125 KJJSJCVKBLPUCQ-VIFPVBQESA-N 320.374 3.602 5 50 DHBA CC1=C[C@H](C)C(=O)N(CC[N@@+]2(C)C[C@H](C)CC2(C)C)C(C)=C1 255982994 KGSJKMLLYXBMPA-XFQAVAEZSA-N 305.486 3.580 5 50 DHBA CCOc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4845465 GAAJPJHBSWRCFR-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1sc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1[N+](=O)[O-] 251919596 ADUDTQFVMMKVJO-NJMOYASZSA-N 320.414 3.519 5 50 DHBA O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 1761928 SCOUSMNITNGHLJ-UHFFFAOYSA-N 307.689 3.525 5 50 DHBA O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)CCC3 107461 CLSSEEVUVMQMPC-CQSZACIVSA-N 308.337 3.558 5 50 DHBA Cc1ccccc1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 248072272 ACPFNADODZHAHS-ILZDJORESA-N 302.438 3.561 5 50 DHBA biogenic Cc1cc(=O)oc2cc(OCc3ccccc3)c([N+](=O)[O-])cc12 151042 GZSGGHGOYUYPRO-UHFFFAOYSA-N 311.293 3.589 5 50 DHBA O=c1c2cc(Br)ccc2oc2ccc([N+](=O)[O-])cc12 4614874 QEUXAXWXQNIOKF-UHFFFAOYSA-N 320.098 3.617 5 50 DHBA C[C@@H](Nc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 432127517 GRQKPQXBVQKCRB-SSDOTTSWSA-N 317.292 4.243 5 50 DHBA C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 288700 NBBCRDKZQJMSCV-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 2166282 DSZZTJNVLVSNPX-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1 472146 AAXWTMOGSYCHJX-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1ccc2c([N+](=O)[O-])c(Nc3ccc(F)cc3)[nH]c2c1 4352527 FQYLYZYYFVWFKW-UHFFFAOYSA-N 301.277 3.967 5 50 DHBA O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)C(F)(F)F 56675 KQTBJIDQYNJEKV-UHFFFAOYSA-N 322.242 3.667 5 50 DHBA CN(C)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 442426 FTHFMYNYEBWPCI-UHFFFAOYSA-N 319.748 3.567 5 50 DHBA CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 121537 CTKGVJQTGJYRAF-UHFFFAOYSA-N 306.705 3.999 5 50 DHBA O=C(OCC=C=CSc1ccc([N+](=O)[O-])cc1)c1ccco1 1862879 FNRCYCIZLJBCCP-UHFFFAOYSA-N 317.322 3.806 5 50 DHBA CCOc1ccccc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 17053135 XPIYQRRLTQPFGL-UHFFFAOYSA-N 315.329 3.946 5 50 DHBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1O 4865602 RONSYAFZASVISE-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA Nc1c(Br)cc([N+](=O)[O-])cc1OCc1ccccc1 4100920 CRKNEPJRORQMRX-UHFFFAOYSA-N 323.146 3.519 5 50 DHBA Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 8548830 ODJPQNZIDQUHEN-UHFFFAOYSA-N 305.721 3.512 5 50 DHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ccncc1 4189913 RRUALNCTYINLIR-UHFFFAOYSA-N 311.263 3.663 5 50 DHBA Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1 31427 UENMQZHIWLDHOB-UHFFFAOYSA-N 305.677 3.867 5 50 DHBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 272614 LMDDILQNCFBHSM-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CN1/C(=C/N=O)N(CCCCCC[N+](C)(C)C)c2ccccc21 206265636 MPKDBOGHKOYXKP-SDXDJHTJSA-N 317.457 3.775 5 50 DHBA CCC(=O)OC[C@@H](SCC[N+](C)(CC)CC)c1ccccc1 2156500 XYSZUJDHLJFBPK-QGZVFWFLSA-N 324.510 3.901 5 50 DHBA COc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 4551094 QZMYYCZPWYEOFP-UHFFFAOYSA-N 322.748 3.748 5 50 DHBA O=[N+]([O-])c1cccc(C(O)(c2ccccc2)c2ccccc2)c1 4915848 AXNDLYJGRMBDHU-UHFFFAOYSA-N 305.333 3.879 5 50 DHBA COc1ccc([N+](=O)[O-])c(C[C@@H]2c3ccccc3C=CN2C)c1 71775034 PONWIMNTPYOGAF-GOSISDBHSA-N 310.353 3.803 5 50 DHBA CCOc1ccc(NC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 4006361 MZJVDUIOVLRFEF-UHFFFAOYSA-N 314.341 3.863 5 50 DHBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 276088 MTYAXORILVLFOX-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2O)n1 105573307 UEUYNLWAWVYUGL-UHFFFAOYSA-N 322.324 3.809 5 50 DHBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 272706 CWCCIFTWGXDYDN-UHFFFAOYSA-N 308.293 3.597 5 50 DHBA O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCCCC1 4183693 KUOPXHZVYFLFRU-UHFFFAOYSA-N 307.369 3.715 5 50 DHBA CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 4754435 QOTHRWJWXMHTBV-AWEZNQCLSA-N 314.341 3.736 5 50 DHBA CNc1ccccc1-c1nc2cc3ccccc3cc2n(C)c1=O 206926 DJNMWVFLHULKBF-UHFFFAOYSA-N 315.376 3.795 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)C)cc1 4689105 COHRAHKEDQNAEC-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA O=[N+]([O-])c1cnc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)c(Cl)c1 170633270 QDSQAGCWJFMSPG-ZYANWLCNSA-N 307.781 3.658 5 50 DHBA CC[C@@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1cccs1 194105127 TYTIZVPMDCCNMU-LLVKDONJSA-N 320.370 3.546 5 50 DHBA CO[C@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 328589463 IHSMDFZCCJGLCL-ZCFIWIBFSA-N 315.738 3.599 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 444062 YNGKMXYQOOLMRW-RMKNXTFCSA-N 302.717 3.900 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C 1064607 UFLGSXGSHSVFRJ-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA Cc1cc(OCCCCN2CCCCCC2)ccc1[N+](=O)[O-] 2839738 VJMRGGQGSRDUKS-UHFFFAOYSA-N 306.406 3.938 5 50 DHBA O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)cc1 354998 CBINBXQSHWRCHQ-UHFFFAOYSA-N 311.366 3.991 5 50 DHBA O=C(OC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 4953027 BQEUXRIPBZCXAK-UHFFFAOYSA-N 301.342 3.720 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CCC=CCC[C@H]21 245297256 RXQQVOZRUATOPJ-FOLVSLTJSA-N 300.358 3.834 5 50 DHBA O=C(NCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 1392846 CZAOVXBXYUIQKH-UHFFFAOYSA-N 312.350 3.740 5 50 DHBA COc1cccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)c1 4052657 RAKOGPPHGCLVOM-UHFFFAOYSA-N 311.341 3.618 5 50 DHBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2sccc21 192491866 XMGHBFNHAURJND-GFCCVEGCSA-N 316.382 3.772 5 50 DHBA CCCNc1cc(OCC)c(Br)cc1[N+](=O)[O-] 65336892 AISIHUDSSRSTMW-UHFFFAOYSA-N 303.156 3.578 5 50 DHBA in-vitro CCc1cc([N+](=O)[O-])c(NC[C@@](C)(O)c2ccco2)cc1Cl 225821176 HBATVTICCWUNDL-OAHLLOKOSA-N 324.764 3.723 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1 5008804 QNIMIDWHZATMTC-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA C[N+](C)(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12 36108817 SJMSVLPTNVMGAH-UHFFFAOYSA-N 300.813 3.861 5 50 DHBA CCOC(=O)CCn1c2ccccc2c2nc3ccccc3nc21 151743 QAUCPPHZRCIAES-UHFFFAOYSA-N 319.364 3.691 5 50 DHBA Cc1cc(C)c(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])cc1C 295956 DWNWOBJVFUNKNV-WUKNDPDISA-N 309.321 3.885 5 50 DHBA COc1cc(SC)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4978559 CIBMWNRANDDVSX-UHFFFAOYSA-N 318.354 3.578 5 50 DHBA O=[N+]([O-])/C=C\c1cn(CCOc2ccccc2)c2ccccc12 4998734 FEARWRRQUPRCMS-KHPPLWFESA-N 308.337 3.968 5 50 DHBA C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 306658 QSXMSTSABYAGEI-JTQLQIEISA-N 304.733 3.739 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl 4990055 ATYUVVMXQNIFNL-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)c1ccco1 156033423 MOVMYSUAFYOTEZ-LLVKDONJSA-N 303.318 3.721 5 50 DHBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(Cl)cc1)CCC2 252441410 UHLGCXYOJPRRIZ-VPWXQRGCSA-N 322.856 3.906 5 50 DHBA biogenic C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 337748 UTMGXOZRAGBIMI-JTQLQIEISA-N 320.732 3.654 5 50 DHBA O=[N+]([O-])c1cc(Br)ccc1OCCC(F)(F)F 116550503 WEGHVURORXPBSC-UHFFFAOYSA-N 314.057 3.689 5 50 DHBA Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 173060224 AJVOCGBIOKWAOB-UHFFFAOYSA-N 306.343 3.689 5 50 DHBA O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 373390 OFJDIZVROMHAGB-UHFFFAOYSA-N 304.733 3.820 5 50 DHBA CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 305101 IQRZYQIILDQKBF-UHFFFAOYSA-N 304.733 3.915 5 50 DHBA CCc1cccc(CC)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 476692 ZXPKVKBQWMWRFH-UHFFFAOYSA-N 312.369 3.901 5 50 DHBA O=C(/C=C/c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F 106269 DLRUZQAOTGOMTH-FPYGCLRLSA-N 304.252 3.525 5 50 DHBA Cc1ccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 17055135 ZNKHSUFINBYBHG-UHFFFAOYSA-N 319.748 3.878 5 50 DHBA C[C@H](Oc1cccc([N+](=O)[O-])c1C(=O)O)[C@@H](C)c1ccccc1 4569209 SXGPRSVGKLZJOU-NEPJUHHUSA-N 315.325 3.864 5 50 DHBA O=C(CSCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 466190 DHRQVZNTRCSZKJ-UHFFFAOYSA-N 320.345 3.606 5 50 DHBA CCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 4414421 YJBOUMUHRMLTQF-UHFFFAOYSA-N 319.364 3.609 5 50 DHBA CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 127342 KMIPSWIKPDHLPK-UHFFFAOYSA-N 318.716 3.703 5 50 DHBA Cc1ccc(NC(=O)OCCOc2ccccc2)c([N+](=O)[O-])c1 4799791 ADGNLCCHMLKQDW-UHFFFAOYSA-N 316.313 3.531 5 50 DHBA CC(C)COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 447663 FLIBBDYJNLJNBX-UHFFFAOYSA-N 314.341 3.882 5 50 DHBA C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 123340 GHGCCJAKGPIRJG-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA O=C(Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 311768 GIMYNEPZWBFCLP-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 469480 QSDAUOFPBCJGMJ-UHFFFAOYSA-N 316.382 3.942 5 50 DHBA CCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4773195 MMWUYVYVWCPGKB-UHFFFAOYSA-N 307.228 3.734 5 50 DHBA O=[N+]([O-])c1cc(Br)cc(NCc2ccccc2)c1 261493670 GVBKXDZAVRZMSI-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCO[C@@H]1c1ccncc1 408514381 BHWSHRJOAWCSCW-DZGCQCFKSA-N 319.748 3.585 5 50 DHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 442319 LHSRHIJJVTXHEJ-MRXNPFEDSA-N 314.341 3.699 5 50 DHBA Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 179941 QMLFQXOVHUKFMP-INIZCTEOSA-N 314.366 3.682 5 50 DHBA Cc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 190895 FEPKHNRQXHYCBA-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA COc1ccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)cc1 4052388 VZESJLNODSAQEW-UHFFFAOYSA-N 311.341 3.618 5 50 DHBA CCOC(=O)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 3880514 HBFPKZBQLSQZEG-UHFFFAOYSA-N 321.720 3.564 5 50 DHBA O=[N+]([O-])c1ccc(NCc2ccccc2)c(Br)c1 37131241 KFZNBRDIUGUIKO-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA in-vitro COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)cc1C 17053140 RVXSIWFVGXRWED-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(F)ccc1F 2156164 KGQYFFYTKPYSEH-UHFFFAOYSA-N 311.219 3.656 5 50 DHBA Cc1cc(OCc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] 4686678 FPIBWGIJMHSLFP-UHFFFAOYSA-N 317.326 3.594 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)c(C)c1 17053152 LQLWIIQLBMKNTI-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA CC(C)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 3957234 WBWQQJDWMUCLEY-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA CO[C@@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1 328589462 IHSMDFZCCJGLCL-LURJTMIESA-N 315.738 3.599 5 50 DHBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)cn2ccccc12 5953195 IZOLBHAYHCRRHJ-UHFFFAOYSA-N 310.309 3.691 5 50 DHBA CC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl 334160859 NRIKQSOIGPPHSW-UHFFFAOYSA-N 320.732 3.786 5 50 DHBA Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)O)c2c1 76299 ZYBWCVOLRNFOAY-UHFFFAOYSA-N 308.293 3.817 5 50 DHBA CCOc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C 609189 BPXZUTFZKBIEMM-UHFFFAOYSA-N 315.329 3.946 5 50 DHBA CC1(C)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[N@]21 1857525284 ZURRJBURTJNBNL-MBOZVWFJSA-N 307.353 3.559 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C)=C/c1ccccc1 4599999 JJGDTWOZMXQHQF-ZRDIBKRKSA-N 312.325 3.645 5 50 DHBA Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 461931 CVCLWWKAWLOXPV-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCc1ccccc1 4182688 DVPSKDMOQSNKCW-UHFFFAOYSA-N 311.385 3.850 5 50 DHBA CSc1ccc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])o1 162199199 UZEARXSUCKYNNR-UHFFFAOYSA-N 318.354 3.503 5 50 DHBA CSc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 473144 VQPMALUJCXTRTJ-JXMROGBWSA-N 314.366 3.969 5 50 DHBA CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 144398 ADEIRPBHYOUENH-UHFFFAOYSA-N 300.314 3.634 5 50 DHBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3 427633 HSBHLBCESVHRBD-HNNXBMFYSA-N 308.337 3.558 5 50 DHBA C[C@@H](Oc1cccc([N+](=O)[O-])c1C(=O)O)[C@H](C)c1ccccc1 4569204 SXGPRSVGKLZJOU-NWDGAFQWSA-N 315.325 3.864 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cl)cc1 1753386 WPTTXFOORZFJKJ-UHFFFAOYSA-N 319.748 3.878 5 50 DHBA CC(=O)c1ccc(N[C@H](C)c2ccncc2F)c([N+](=O)[O-])c1 253398677 ZQLHBSFMCQOPQG-SECBINFHSA-N 303.293 3.505 5 50 DHBA CCOc1cc(Oc2ncnc3ccsc23)ccc1[N+](=O)[O-] 343205380 MAVZACLNMCWSSM-UHFFFAOYSA-N 317.326 3.791 5 50 DHBA CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288747 QVEAOUDGTDJUDB-UHFFFAOYSA-N 304.733 3.520 5 50 DHBA O=C(/C=C/c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] 4996998 MTZJFNOULYWSFA-MDZDMXLPSA-N 302.717 3.900 5 50 DHBA COC(=O)c1cc(-c2cc(OC)ccc2Cl)cc([N+](=O)[O-])c1 97757142 MEQUWAGZVXWDOH-UHFFFAOYSA-N 321.716 3.710 5 50 DHBA CC(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 302793 NFWTXNGTJCMCFH-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA O=C(Nc1ccc(Cl)c(Cl)n1)c1ccc([N+](=O)[O-])s1 188896116 ASZRWSZDLPLKSB-UHFFFAOYSA-N 318.141 3.610 5 50 DHBA COc1cc(CNc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC 4989325 KMKZCXNKITXTPM-UHFFFAOYSA-N 324.283 3.502 5 50 DHBA O=[N+]([O-])c1c(Br)cccc1OCc1ccccc1 95942415 FZPFXKQEIUYELF-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA O=[N+]([O-])c1c(Cl)cc(Cl)cc1I 263624927 VFUYFGYIBZQIJA-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA CCSc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] 310053 DLKKTXHJWRKHHD-UHFFFAOYSA-N 317.370 3.663 5 50 DHBA aggregator CC(C)COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4906718 IQBNMGPEEZVCGU-UHFFFAOYSA-N 314.341 3.882 5 50 DHBA COc1cc(OC)c2[nH]c3c(C)c(Cl)ccc3c(=O)c2c1 43214680 IQTFEGPDLFMAKX-UHFFFAOYSA-N 303.745 3.660 5 50 DHBA O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nccs2)cc1F 253392882 CWKCKPZZGSMXLV-AWEZNQCLSA-N 321.377 3.918 5 50 DHBA C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 476694 MLDMJZRRPMBOLN-SNVBAGLBSA-N 304.733 3.990 5 50 DHBA O=C(Nc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 152959844 CLACAYFEFRSXJU-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 102832 VFBZCERTALUHAX-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1cc(CNc2ccc(SC)cc2)cc([N+](=O)[O-])c1O 35335418 OQGZEGDDMVMQGG-UHFFFAOYSA-N 320.370 3.643 5 50 DHBA COC(=O)c1ccccc1Sc1cc([N+](=O)[O-])ccc1C 71767263 SNECQVAEDGDHAL-UHFFFAOYSA-N 303.339 3.841 5 50 DHBA Cc1cc(Nc2ccn([C@@H](C)c3ccccc3)n2)ncc1[N+](=O)[O-] 610735195 IEFCLFCACHYBBG-ZDUSSCGKSA-N 323.356 3.848 5 50 DHBA CC(=O)c1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 612063 VCHPPHMZKCYEPB-UHFFFAOYSA-N 313.313 3.750 5 50 DHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1 2813037 YDXWJKVHNABSIB-UHFFFAOYSA-N 322.430 3.667 5 50 DHBA Cc1cc(C(=O)OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 618148 DRECXRFBIHZKNR-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4598744 HZNJXGKTQVSATD-UHFFFAOYSA-N 300.358 3.750 5 50 DHBA C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 64762 FWMMIDGETIMDPY-JTQLQIEISA-N 304.733 3.739 5 50 DHBA CCc1cccc(C)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 117035 VZRQNVOSKZRXFR-UHFFFAOYSA-N 314.341 3.727 5 50 DHBA C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 304995 YJUMQVFYBYPVDP-JTQLQIEISA-N 304.733 3.739 5 50 DHBA O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ccc2nonc12 3879049 IRUDMTDFNXURLI-UHFFFAOYSA-N 324.218 3.893 5 50 DHBA Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] 248000927 SGFBVNCKAFYKQV-IJEWVQPXSA-N 316.401 3.992 5 50 DHBA O=[N+]([O-])c1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 3832590 MPUYYRPTFCMIMT-UHFFFAOYSA-N 310.269 3.560 5 50 DHBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 337663 MPUXXOKZLZYAEJ-JTQLQIEISA-N 320.732 3.654 5 50 DHBA Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)n1 121554131 NCQGVCKIZCZLOI-UHFFFAOYSA-N 305.721 3.512 5 50 DHBA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 239439094 ZKBASTWKARGWAQ-ISTVAULSSA-N 310.781 3.803 5 50 DHBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(F)c1 1565504792 KKMLXUYOOBOXFQ-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O 466985 PNHGMGGOJQQYEH-UHFFFAOYSA-N 323.304 3.811 5 50 DHBA O=[N+]([O-])c1ccc(SCCNc2ccccc2)c([N+](=O)[O-])c1 2831228 PPHXZERWROISJB-UHFFFAOYSA-N 319.342 3.707 5 50 DHBA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5010170 RBGDENVWEFXKFQ-SNVBAGLBSA-N 320.732 3.654 5 50 DHBA Cc1ccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])[nH]n2)cc1 13151333 VANGFGJEMHFTOV-UHFFFAOYSA-N 322.324 3.546 5 50 DHBA COC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 167772 DHRPZVIKUJORGC-UHFFFAOYSA-N 307.689 3.827 5 50 DHBA CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 131376 ZPBKQXUUICMTKW-UHFFFAOYSA-N 300.314 3.634 5 50 DHBA CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1C 442287 PRYNDETXJJHGJC-VAWYXSNFSA-N 310.353 3.970 5 50 DHBA CCC[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 618124 KJJSJCVKBLPUCQ-SECBINFHSA-N 320.374 3.602 5 50 DHBA Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1C 4806895 DFBKENMRSFREPD-UHFFFAOYSA-N 323.352 3.807 5 50 DHBA COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1F 1410989 HCFPPNVCVBFSTO-CMDGGOBGSA-N 303.289 3.661 5 50 DHBA COc1ccc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)O)c2c1 2173390 XYPROEXRIHKMRM-UHFFFAOYSA-N 324.292 3.517 5 50 DHBA Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4839471 UFQXUBFRHMSCMU-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA Cc1c(C(=O)OCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 572006 PYXYRLWYIWPAGW-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA COc1cc(SC)ccc1C(=O)Nc1ccccc1[N+](=O)[O-] 4841628 YFEBFJIAFLSSCY-UHFFFAOYSA-N 318.354 3.578 5 50 DHBA CCOc1cc(CNc2ccc([N+](=O)[O-])cc2C)ccc1OC 4982206 NEPPJBOTHFKHIT-UHFFFAOYSA-N 316.357 3.923 5 50 DHBA O=[N+]([O-])c1cc(I)cc(Cl)c1Cl 263623187 FLZUMGYDJVUHOZ-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 225335 NEDMMIQNNUPEOX-DHZHZOJOSA-N 312.325 3.645 5 50 DHBA COc1ccc(NC(=O)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 4893630 UWOPRKLSUUJQTB-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4749982 WUBWQUDDFIFSKA-UHFFFAOYSA-N 314.219 3.767 5 50 DHBA Cc1cccc2ncnc(NCCc3ccccc3[N+](=O)[O-])c12 170652383 QROCMXZHEWXEHN-UHFFFAOYSA-N 308.341 3.501 5 50 DHBA C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 463639 DUKYUTFWQHDVJZ-SZGUKTLCSA-N 324.380 3.746 5 50 DHBA COc1c(NC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] 1732589 BJHAGJXBTBIBSU-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA Cc1c(NC(=O)CCCOc2ccccc2)cccc1[N+](=O)[O-] 2651364 LGBXPIJELSNQSB-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2N1)CCC3 427631 DGYMBYOKBOOCNI-HNNXBMFYSA-N 308.337 3.558 5 50 DHBA CCC(=O)OC[C@H](SCC[N+](C)(CC)CC)c1ccccc1 2156498 XYSZUJDHLJFBPK-KRWDZBQOSA-N 324.510 3.901 5 50 DHBA Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] 474470 BXKKJDJUVOWDNQ-WEVVVXLNSA-N 300.289 3.694 5 50 DHBA CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 2838978 JEOLDRABNWYUQE-UHFFFAOYSA-N 306.705 3.999 5 50 DHBA CC1(C)C[C@@]2(O[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 1744781 IDDOVPNRRHNRRQ-PKOBYXMFSA-N 323.348 3.969 5 50 DHBA COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)C3CC3)ccc12 91088 JOQLXJRJZGRZAE-UHFFFAOYSA-N 324.332 3.579 5 50 DHBA Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 240333 UCOYCRPGTZHGKC-UHFFFAOYSA-N 321.305 3.925 5 50 DHBA O=[N+]([O-])c1ccc(-c2noc(CCCc3ccccc3)n2)cc1 458408 AGMQQPFBYAJUQR-UHFFFAOYSA-N 309.325 3.820 5 50 DHBA [O-][n+]1c2ccccc2nc2cc3[nH]c(-c4ccccc4)nc3cc21 5318693 BTLMEZRHQGNAFN-UHFFFAOYSA-N 312.332 3.565 5 50 DHBA O=[N+]([O-])c1cccc(NCn2c(=S)oc3ccccc32)c1 2164420 XXPDOOSHVSTWKC-UHFFFAOYSA-N 301.327 3.942 5 50 DHBA Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 4284101 FIEONRLHPMMOSG-UHFFFAOYSA-N 308.721 3.721 5 50 DHBA Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 860196 JUURSVLUIGZMCZ-AWEZNQCLSA-N 312.369 3.654 5 50 DHBA Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc([N+](=O)[O-])c1 2508434 QGIUUMVDZYYMJV-UHFFFAOYSA-N 314.732 3.683 5 50 DHBA CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(C)cc1 334160829 NCFOQPQNBKYKGY-UHFFFAOYSA-N 314.341 3.749 5 50 DHBA O=[N+]([O-])c1ccc(Cl)c(/C=C2\SC(=S)N=C2O)c1 17030621 WPMKYQLVGMURCI-YWEYNIOJSA-N 300.748 3.577 5 50 DHBA CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 90964 HFAZVIFISXHGEW-UHFFFAOYSA-N 303.387 3.955 5 50 DHBA Cc1cc(-c2nc(O)c3ccc(Cl)cc3n2)cc([N+](=O)[O-])c1 1875353308 OIIDCMFMYFJVSW-UHFFFAOYSA-N 315.716 3.872 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC(C)C)CC(C)C 5041258 PEJJAGRNNRRBIH-UHFFFAOYSA-N 323.393 3.749 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1ccccc1[N+](=O)[O-] 5094353 JTWMTDBICCTSQQ-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1nccn1CCCn1c(=O)c2ccccc2c2ccccc21 95355257 WRXOKFATCOZEEJ-UHFFFAOYSA-N 317.392 3.750 5 50 DHBA O=C(/C=C/c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 4652294 ZRPGGCPXJFXSHZ-GQCTYLIASA-N 308.746 3.962 5 50 DHBA O=C(O)/C(=C\c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 5732701 QHRBGXWRUCQTKE-JYRVWZFOSA-N 303.701 3.873 5 50 DHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 464155 TZRYYISWWRHTPM-JXMROGBWSA-N 316.744 3.578 5 50 DHBA O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1Cl 236285 XRFVIBDTSMDUJA-UHFFFAOYSA-N 312.112 3.549 5 50 DHBA Cc1cc2nc3c4ccccc4n(CCN(C)C)c3nc2cc1C 24937 FPLSGFJELWCFTH-UHFFFAOYSA-N 318.424 3.916 5 50 DHBA CC(C)(C)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 3141499 BENPQVXEWIEZLR-UHFFFAOYSA-N 305.359 3.601 5 50 DHBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5010168 RBGDENVWEFXKFQ-JTQLQIEISA-N 320.732 3.654 5 50 DHBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc2ccccc2c1 38527 NLUREJCVUBIGMW-UHFFFAOYSA-N 323.304 3.732 5 50 DHBA CCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 473702 IGGOJQXTKMMIMK-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA Cc1ccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4041772 FFALEQMEASTJGQ-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA O=C(O)c1cccc2oc(/C=C/c3csc([N+](=O)[O-])c3)nc12 328598695 NNZXKARPGCRIBX-SNAWJCMRSA-N 316.294 3.666 5 50 DHBA O=C(Nc1ncccc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 179884879 KSQHQEHVDJICEP-UHFFFAOYSA-N 312.112 3.549 5 50 DHBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc2ccccc12 285187 DDVGQNNLJULJGF-UHFFFAOYSA-N 318.288 3.549 5 50 DHBA CCCNc1cc(OCCC)c(Br)cc1[N+](=O)[O-] 74934293 NOBNVOVIEYJIJT-UHFFFAOYSA-N 317.183 3.968 5 50 DHBA in-vitro C[N@+]12CCCC[C@@H]1[C@H](COC(=O)/C=C/c1ccccc1)CCC2 253390574 WTBBSBSTSYXEEI-JOZQYUCVSA-N 314.449 3.652 5 50 DHBA biogenic C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccc(F)c([N+](=O)[O-])c1 1776005389 AVCIMIMHUDKRSW-ZJUUUORDSA-N 322.361 3.776 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 444121 HBBGCMJHHNPYRL-UHFFFAOYSA-N 324.695 3.648 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(F)ccc1F 2166279 OWHYCMSYFQWXJZ-UHFFFAOYSA-N 323.255 3.526 5 50 DHBA O=C(Nc1cc(F)ccc1F)OCc1ccccc1[N+](=O)[O-] 2156158 VMJOPXKKZSQFKJ-UHFFFAOYSA-N 308.240 3.622 5 50 DHBA Cc1ccc(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 5681591 RRCOMDVWCZTXAC-UHFFFAOYSA-N 314.341 3.638 5 50 DHBA Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 2534526 DKSCGIVEGYUGNN-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA Cc1ccccc1CC(=O)Nc1cccc([N+](=O)[O-])c1Cl 225796077 LRULAHSSPPSLED-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1scc2c1CCCC2 32843 BVGSGHKYQOLRGN-UHFFFAOYSA-N 302.355 3.787 5 50 DHBA O=C(O[C@H]1C=C[C@@H]2CC[C@H]3CC[C@@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 101138875 JRZRZDAXZSLBIC-NXAPBCJLSA-N 313.353 3.742 5 50 DHBA C[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 4891740 UXXBDDADGXCQDJ-JTQLQIEISA-N 304.733 3.990 5 50 DHBA CC[C@H](NC(=O)c1cccc(OC)c1[N+](=O)[O-])c1cccs1 194105110 TYTIZVPMDCCNMU-NSHDSACASA-N 320.370 3.546 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 290696 VTQCGUGRWZRRQX-JXMROGBWSA-N 302.717 3.900 5 50 DHBA COC(=O)c1ccc(Oc2ccc(C)cc2C)c([N+](=O)[O-])c1 1403575 UYYUUMQLWJRBEO-UHFFFAOYSA-N 301.298 3.791 5 50 DHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 2173632 CETZNQVYWYEJGU-UHFFFAOYSA-N 310.668 3.998 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1Cl 613980 FKANEUODTKJYEC-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1 2041205 UPPMZCXMQRVMME-SJLPKXTDSA-N 306.470 3.846 5 50 DHBA in-man C[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1 248335180 MOMLIPCTFFGVNI-DVOMOZLQSA-N 302.374 3.778 5 50 DHBA CC(C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 309329 CCRGFPHJHHQNCP-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 587353 XXOMKKNDSJQBRI-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=[N+]([O-])c1ccc(-c2csc(-c3ccccn3)n2)c(F)c1 1875341736 FOYFCENJFFNTBL-UHFFFAOYSA-N 301.302 3.919 5 50 DHBA O=C(/C=C/c1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl 474321 DNNIFIMIMBTVBS-GQCTYLIASA-N 308.746 3.962 5 50 DHBA O=[N+]([O-])c1cc(Cl)c(I)c(Cl)c1 2522759 FCDBEIIBODDDEJ-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] 281158330 PMNGHCYDSBWIFY-MRXNPFEDSA-N 314.389 3.538 5 50 DHBA O=C(Oc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 59858 MWZLYKLATPPFHT-UHFFFAOYSA-N 322.114 3.577 5 50 DHBA biogenic CC(C)(C)OC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 86763989 RIZHSLFDFUZPJJ-UHFFFAOYSA-N 317.139 3.704 5 50 DHBA Cc1ccc(NC(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1C 3091319 OMWDELWQQRZCAU-UHFFFAOYSA-N 310.313 3.642 5 50 DHBA O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] 4858491 HVFUIPHMNGFKOL-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] 1838513 XWHZRMWLLUPWAG-UHFFFAOYSA-N 317.301 3.596 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 4927482 WRVHOEZZJJKDIM-MRXNPFEDSA-N 311.341 3.794 5 50 DHBA CCN(CC)c1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1 5947616 WDAPLQGIFHIDBF-UHFFFAOYSA-N 310.357 3.780 5 50 DHBA CCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 471739 JSRFXFPBFMHRFA-LBPRGKRZSA-N 314.341 3.736 5 50 DHBA C[C@@H](C(=O)NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 471194 OSYQPVDUWMHJSU-LLVKDONJSA-N 318.760 3.668 5 50 DHBA Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 3912735 NUAUTTDOZOQTHF-UHFFFAOYSA-N 323.312 3.503 5 50 DHBA COC(=O)c1ccccc1NSc1ccccc1[N+](=O)[O-] 3958932 MSXQVAUQYADRQA-UHFFFAOYSA-N 304.327 3.501 5 50 DHBA N=c1oc2ccc3ccccc3c2cc1C(=O)NC1CCCC1 4651321 BBLRVVJBMWXIIJ-UHFFFAOYSA-N 306.365 3.738 5 50 DHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 101901347 VWIFXHNXLPGKEG-BLFANLJRSA-N 322.792 3.803 5 50 DHBA CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 103099 LJIUCHQZZCCHDI-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 295665 ABTUWELVGYGHEU-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5613815 SUBPOFXFXVJKDA-UHFFFAOYSA-N 312.325 3.686 5 50 DHBA O=[N+]([O-])c1ccc(Cl)c(I)c1Cl 168597183 SSHBAVLTTMLJJL-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12 3984116 NRCMAYZCPIVABH-UHFFFAOYSA-N 312.328 3.676 5 50 DHBA endogenous,in-man Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 4725415 JPTAQEIWJSKWLU-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCCCC2)c(F)c1Br 5073459 KOVNGCZLJYHXRD-UHFFFAOYSA-N 317.158 3.877 5 50 DHBA O=[N+]([O-])c1cc(CSc2ncco2)ccc1Br 225550900 XNYNJBHEQRXGIE-UHFFFAOYSA-N 315.148 3.638 5 50 DHBA O=[N+]([O-])c1ccc(CSc2ncc(-c3ccccc3)nn2)cc1 1117061 VYAICMNNHNEYSV-UHFFFAOYSA-N 324.365 3.739 5 50 DHBA Cc1cccc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 587181 ZDESXMLFKVWKSN-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(C)c1C 17053156 BDSKJSPANBEMGT-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA Cc1cccc(C(=O)OC[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] 225732005 MGJFKZSLFSEDHS-NSHDSACASA-N 313.300 3.886 5 50 DHBA O=C(CCNc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 732277 RLZBSBWKCJMYRJ-UHFFFAOYSA-N 324.258 3.697 5 50 DHBA CC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 5042001 BAAFYIGVLKZDFT-UHFFFAOYSA-N 313.313 3.750 5 50 DHBA CC(C)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 133500 YGYXLTUBYHYHGK-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] 442420 HSUXYGVLNDCRAC-UHFFFAOYSA-N 308.765 3.869 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cc1 1050909 HHZLBHATHSPQCW-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 318808 CRMUJKWIXVEUQI-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1 2906388 ZEVWATMWPUYUDQ-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA C[C@@H](CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 303857 KOGAOBYLOKITFY-NSHDSACASA-N 302.305 3.866 5 50 DHBA C[C@H](C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 472128 YGMPHWPJWNDBBB-ZDUSSCGKSA-N 302.374 3.705 5 50 DHBA CCO[C@@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 170628868 DKIQHQKMFAXIHL-QMMMGPOBSA-N 319.342 3.957 5 50 DHBA Cc1ccnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 4869393 CXYSEKCXIYPPJK-UHFFFAOYSA-N 315.276 3.863 5 50 DHBA O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1 462215 FXYLDLUPRJEJPD-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 4543201 AAEKBOJFRNSMGF-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 241439957 NNVFVYPAFHMBHY-CZPYZCIJSA-N 306.406 3.613 5 50 DHBA O=C(O)c1ccc(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 188702 BFXJURJPVKFDPR-UHFFFAOYSA-N 302.069 3.860 5 50 DHBA C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 303931 RQJITJMAOXALKD-LLVKDONJSA-N 302.305 3.866 5 50 DHBA Cc1ccc([C@H](C)NCc2coc(C(C)C)n2)cc1[N+](=O)[O-] 253429932 OXBKPILYZPUCEZ-LBPRGKRZSA-N 303.362 3.865 5 50 DHBA C[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 3861660 MRYUEHRAIMRPNB-UHFFFAOYSA-O 300.385 3.649 5 50 DHBA in-vitro CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3879215 WNMCDSUFVJWXLF-UHFFFAOYSA-N 303.274 3.645 5 50 DHBA CN(C)c1ccc2nc3ccc(=N)cc-3n(-c3ccccc3)c2c1 377813290 CTNSDXYNBRJDTF-UHFFFAOYSA-N 314.392 3.676 5 50 DHBA in-vitro CCOc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 102982 ZLIACEUNKASXTF-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 189073 IAAJMOPIVNWXGQ-QGZVFWFLSA-N 323.352 3.683 5 50 DHBA Cc1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 4855949 OHKYZZKLNMURAE-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA CC(C)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2173337 XEHHWKFSOJRNHQ-UHFFFAOYSA-N 305.355 3.551 5 50 DHBA CN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 152754841 QZXMNTYATDDFKR-UHFFFAOYSA-N 324.789 3.624 5 50 DHBA Cc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 441664 MXKBLVYFAZLOTG-RMKNXTFCSA-N 300.289 3.694 5 50 DHBA CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 859360 OVJYPNTXYSRXDR-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1conc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 952994567 XRFHYQTVKYBKQD-UHFFFAOYSA-N 301.224 3.522 5 50 DHBA Cc1c2c(cc([N+](=O)[O-])c1OC(=O)c1ccco1)CCCC2 1077672 WIMIOMQWNQRJEB-UHFFFAOYSA-N 301.298 3.594 5 50 DHBA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 4829623 GIMLXIMAGUOGMP-UHFFFAOYSA-N 322.773 3.979 5 50 DHBA Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 92327 QCWVWKAOWRJFCR-UHFFFAOYSA-N 314.341 3.985 5 50 DHBA Cc1cc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 121226 YJGQRRMXQAUCDS-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA Cc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1[N+](=O)[O-] 464964 ZQYSJDGFJUBACZ-CQSZACIVSA-N 312.369 3.654 5 50 DHBA O=C(NC1CCCCC1)c1ccc2nc3ccccc3nc2c1 4338536 VGYXYUVGNIXMJK-UHFFFAOYSA-N 305.381 3.846 5 50 DHBA C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 48552513 AQJCSYPKGYPFOF-VIFPVBQESA-N 322.162 3.925 5 50 DHBA in-vitro Cc1c(C(=O)OCc2cccc(Cl)c2)cccc1[N+](=O)[O-] 618097 RGPBHALBFPPOCL-UHFFFAOYSA-N 305.717 3.914 5 50 DHBA CC(C)CCC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2829424 LZSRJCVPEHLFLT-TZIYXEQSSA-N 304.390 3.939 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1 4600564 LTNWLFRWYJGIEQ-GFCCVEGCSA-N 314.341 3.736 5 50 DHBA C[C@@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 5675316 IKRRTWDNMOZMKI-GFCCVEGCSA-N 300.314 3.582 5 50 DHBA CCOc1ccccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 149022 JHECBQVLZUJPCD-UHFFFAOYSA-N 301.298 3.521 5 50 DHBA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 475518 PXWYUIWAGWVOCG-NSHDSACASA-N 314.316 3.715 5 50 DHBA O=[N+]([O-])c1ccc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 100170692 ZFNHLPUHTFNCSA-AATRIKPKSA-N 315.241 3.582 5 50 DHBA O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOc3ccccc32)c1 237833241 QWZMFQLFQFYWML-OAHLLOKOSA-N 318.760 3.862 5 50 DHBA Cc1n[nH]c(C)c1CCCCCOc1ccc([N+](=O)[O-])cc1 2880486 VHFDQTNARFGGTB-UHFFFAOYSA-N 303.362 3.727 5 50 DHBA O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOc3ccccc32)c1 237834984 QWZMFQLFQFYWML-HNNXBMFYSA-N 318.760 3.862 5 50 DHBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 5041594 XGYLSNHYHQWQJP-UHFFFAOYSA-N 313.382 3.892 5 50 DHBA O=[N+]([O-])c1ccc(NCn2c(=S)[nH]c3ccccc32)cc1 5280327 XJBMHYZRWPBULQ-UHFFFAOYSA-N 300.343 3.677 5 50 DHBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 456040 ZNLGUXWEPWRKNO-UHFFFAOYSA-N 305.717 3.878 5 50 DHBA O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 516044 VAJPOGWNCSNRAY-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA CCCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 1857415 LONAHHDBALXQFD-UHFFFAOYSA-N 323.352 3.637 5 50 DHBA O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Br 19872989 GMVGSGXEYKPCSS-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA in-vitro CCc1cc([N+](=O)[O-])c(NC[C@](C)(O)c2ccco2)cc1Cl 225821156 HBATVTICCWUNDL-HNNXBMFYSA-N 324.764 3.723 5 50 DHBA O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 85210077 VPPHDQBSFQBXOJ-UHFFFAOYSA-N 310.353 3.888 5 50 DHBA Cc1ccc(NC(=O)COc2ccccc2Cl)c([N+](=O)[O-])c1 4725327 MLXCHWQPGXFUHU-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA CC(=O)c1ccc(Oc2cc(C)nc(C3CC3)n2)c([N+](=O)[O-])c1 127948985 GBHOSLAKGOZXTO-UHFFFAOYSA-N 313.313 3.566 5 50 DHBA O=c1c2c3c(sc2nc2c4ccccc4cnn12)CCCCC3 91490 RWCSXVZPKWYGHX-UHFFFAOYSA-N 321.405 3.726 5 50 DHBA Cc1c(COc2cccnc2OC(C)C)cccc1[N+](=O)[O-] 170593809 PTBNADJLZFSWTA-UHFFFAOYSA-N 302.330 3.664 5 50 DHBA CC(C)c1nc2sc3c(ncn4ncnc34)c2c2c1CCCC2 509827 WNPGUDOXNZWLRQ-UHFFFAOYSA-N 323.425 3.889 5 50 DHBA O=C(OCC1OCCO1)c1c2ccccc2cc2ccccc12 170616641 KTHCKQMZLUIUGN-UHFFFAOYSA-N 308.333 3.523 5 50 DHBA Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 557769 QZMLAINWTGLNMA-UHFFFAOYSA-N 322.267 3.757 5 50 DHBA O=C(O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccc([N+](=O)[O-])cc1)(C3)C2 100245343 JGYFFTQRRDPOIR-PRRDBKRISA-N 301.342 3.517 5 50 DHBA C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 301372710 UUCNNQMLLDSWLI-LLVKDONJSA-N 310.313 3.818 5 50 DHBA COc1cccc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c1[N+](=O)[O-] 594536387 MLNFMNMEALQFAR-FOGDFJRCSA-N 315.329 3.557 5 50 DHBA Cc1cc(OCCCn2cnc3ccccc32)ccc1[N+](=O)[O-] 2868212 VPWXTWUVCJLHJW-UHFFFAOYSA-N 311.341 3.722 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 3123110 CUYSXRBZVPNZAD-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1ccccn1 4107210 LJXAZDVJGKYLLY-UHFFFAOYSA-N 301.371 3.741 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OC(C)C)c1 4695565 QBPHZVCZVXOGMX-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccs1 5049825 HHCUYHFLHNSNFT-UHFFFAOYSA-N 317.370 3.509 5 50 DHBA O=[N+]([O-])c1cc(Br)c(Cl)c(Br)c1 98063972 BAHAFZIGAXKLGK-UHFFFAOYSA-N 315.348 3.773 5 50 DHBA Cc1nc(SCc2cccc([N+](=O)[O-])c2)nc2c1CCCC2 531669 HEKXEPVBOVKFRW-UHFFFAOYSA-N 315.398 3.864 5 50 DHBA COc1cc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1206901 RUIQIAHQLSEHQA-UHFFFAOYSA-N 307.309 3.727 5 50 DHBA Cc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1773405 NZFPTZYEWISGKL-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 6701122 SWCDIPFVMVHRBJ-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CSc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2521018 WYXPYGMVWQTHEJ-JXMROGBWSA-N 314.366 3.969 5 50 DHBA Cc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4810958 YFXJMEJIEHLLTR-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA COc1cccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c1 4858351 WDCCUOMPUPYNQL-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 300349 QCHFOQGGUYDKFU-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CC(C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 3957235 ZPGIAJDCSPVBTI-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cc1Br 169725337 BFZYEMYUAJBQAQ-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA COc1cc(SC)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 337802 LIRPAIRXCRFXFV-UHFFFAOYSA-N 318.354 3.578 5 50 DHBA CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 445631 OLWBHMOLQGHBTQ-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 180078 AVWLSBMPINCXEE-INIZCTEOSA-N 314.366 3.682 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 5050691 OJSTWAMQRHHQIX-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5794605 VAPSZZZZVHOMKT-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[N+](=O)[O-] 131430 GCYKWOCEYXUFBC-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc([N+](=O)[O-])c1 289558 WWFUZXMRUZQHBM-UHFFFAOYSA-N 321.377 3.564 5 50 DHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1CCCC2 462003 GDGDRCXNBIPRLH-UHFFFAOYSA-N 310.353 3.655 5 50 DHBA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C 4918617 UIXSBYBQWJDEIT-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 463557 CLDBPAZJMPMBML-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)s1 1052244 LLKJAKZNYWBRBV-UHFFFAOYSA-N 312.734 3.571 5 50 DHBA CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 2972853 SOMGKHFOKRSYKI-UHFFFAOYSA-N 318.304 3.775 5 50 DHBA CC1=C(c2ccco2)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 253392167 LNZKMSOWOAXCTM-UHFFFAOYSA-N 312.325 3.507 5 50 DHBA O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 431957 YWQDNMWOBPTEGN-RMKNXTFCSA-N 302.717 3.900 5 50 DHBA C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 476693 MLDMJZRRPMBOLN-JTQLQIEISA-N 304.733 3.990 5 50 DHBA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5009740 YUBPICZDBQJRIU-SNVBAGLBSA-N 320.732 3.654 5 50 DHBA CC(C)CCC[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 12382198 HPWWYKDCDRVFNW-VNDWYCCKSA-N 304.390 3.939 5 50 DHBA O=C(Nc1nc2c(Cl)cccc2s1)c1ccc([N+](=O)[O-])o1 567024 JBTMPOGBTOJYHS-UHFFFAOYSA-N 323.717 3.703 5 50 DHBA CCC[C@@H](Nc1cccc([N+](=O)[O-])c1)n1nnc2ccccc21 3032624 YBGIZBDXNVYLOS-INIZCTEOSA-N 311.345 3.750 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)c([N+](=O)[O-])c1 1772715453 HTNTYMZVOWAOSZ-UHFFFAOYSA-N 301.283 3.780 5 50 DHBA Cc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] 247713 XIDDYQJNFNIUNM-UHFFFAOYSA-N 312.369 3.954 5 50 DHBA COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 436161 DMDTZXOQBYBVPS-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cccc2c(NCCc3cccc([N+](=O)[O-])c3)ncnc12 170590972 WZLFZODWGUKZNZ-UHFFFAOYSA-N 308.341 3.501 5 50 DHBA CC(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4819746 VAIVYCRWJNJQSB-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 102116 XZUZYWXFHNWBJT-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CCc1nc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 184716683 WBTBMHWIHHVFCB-LLVKDONJSA-N 305.403 3.773 5 50 DHBA O=[N+]([O-])c1ccccc1OCCOc1cccc2cccnc12 2994730 KAGWSESTFMRGSM-UHFFFAOYSA-N 310.309 3.601 5 50 DHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 451092 ODBZDUNLLZTTES-UHFFFAOYSA-N 317.732 3.843 5 50 DHBA COC(=O)c1cccc(OCc2c(Cl)cccc2[N+](=O)[O-])c1 4841721 BZKALAIUIOCIQR-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4903698 YUBGKNXEWDCIAM-JTQLQIEISA-N 320.732 3.654 5 50 DHBA CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 264348 KEDXXOIJZJINCS-UHFFFAOYSA-N 312.354 3.564 5 50 DHBA CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 2876528 VUYMPWOMZJMZTG-UHFFFAOYSA-N 302.355 3.877 5 50 DHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1 100170515 JHMMNVQXKFUCCZ-VOTSOKGWSA-N 315.241 3.582 5 50 DHBA Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc([N+](=O)[O-])c1 2508431 ZVIXDBLFHTVXBC-UHFFFAOYSA-N 314.732 3.683 5 50 DHBA CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 430474 WOQSKJVMDDSLDH-UHFFFAOYSA-N 311.297 3.711 5 50 DHBA O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCCCCC1 4137913 RNGDRTGJKRUPPH-UHFFFAOYSA-N 307.369 3.715 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2C=CCCCC[C@@H]12 18323077 VSOZXAHPNMJONZ-SQWLQELKSA-N 300.358 3.834 5 50 DHBA O=C(Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 101759 BCNOELQOESJJCH-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1CC[N+](=O)[O-] 1385850 IPLYNWJUEWPOEY-UHFFFAOYSA-N 319.748 3.803 5 50 DHBA O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 441877 XRVBHOUJJMEXMF-UHFFFAOYSA-N 315.716 3.889 5 50 DHBA CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2829422 LZSRJCVPEHLFLT-BRADTZPFSA-N 304.390 3.939 5 50 DHBA CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5178133 YDSSTXUEYAVMQR-UHFFFAOYSA-N 303.274 3.645 5 50 DHBA Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1F 2519806 OXZXQCRPYQTGRR-UHFFFAOYSA-N 302.305 3.727 5 50 DHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F 464310 FYIHHGVFMCTSSX-VMPITWQZSA-N 304.252 3.525 5 50 DHBA CCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4040995 HQHWXMKVNWUSSA-FMIVXFBMSA-N 312.325 3.645 5 50 DHBA Cc1cc(C)n(-c2cc(N3CCCCCC3)ccc2[N+](=O)[O-])n1 4688272 YXTIUSWPJDGSTG-UHFFFAOYSA-N 314.389 3.778 5 50 DHBA O=[N+]([O-])c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 462171 DPFAAOXWAMPIIS-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA Cc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 237741 VRNBIJBFDMJWTP-UHFFFAOYSA-N 311.293 3.589 5 50 DHBA O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3Cl)no2)c1 430470 JSBCRLLSBQYEQS-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA O=[N+]([O-])c1cccc(Br)c1OCCC(F)(F)F 169725450 LYISPZLFPCBYIR-UHFFFAOYSA-N 314.057 3.689 5 50 DHBA O=C(Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 101888 MORUOUXZJAHZBA-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)cc1Cl 4755459 OJWAJFAXOMBEBR-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1cccc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c1[N+](=O)[O-] 594536388 MLNFMNMEALQFAR-HOSYDEDBSA-N 315.329 3.557 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1 145364 ZTZMPGXGBYJJJZ-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA aggregator COc1cc(CNc2ccc(F)cc2C)c([N+](=O)[O-])cc1OC 293352 QNBNDHJZAPARFR-UHFFFAOYSA-N 320.320 3.672 5 50 DHBA COc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 4600524 FQFBSGDTAYASLI-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 5284896 QESGLGOLKRCSGO-INIZCTEOSA-N 311.345 3.606 5 50 DHBA C[C@@H]1c2ccccc2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 341067981 SCMYEENDWKTWEF-CYBMUJFWSA-N 310.353 3.631 5 50 DHBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 435864 ZDFXODGSMOZHNH-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4690649 BGZQCSACEINAMC-UHFFFAOYSA-N 308.696 3.569 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 4777410 LIFASHLOABNZSW-UHFFFAOYSA-N 316.260 3.927 5 50 DHBA O=[N+]([O-])c1ccc(Br)cc1OCc1ccccc1 116587003 ISIBNKKIJOEHIW-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA in-vitro Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] 313460 KNANDEXVXOSPLW-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1599007 ZZFDGUCCHZJOQB-GORDUTHDSA-N 300.270 3.682 5 50 DHBA CC(C)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2519828 CNWARFRYQBDAAP-UHFFFAOYSA-N 312.325 3.686 5 50 DHBA CCOc1ccccc1OCCCOc1ccccc1[N+](=O)[O-] 2985683 IPHVBTWBUZUQOE-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)o1 23280729 ASINYSZNXDAHAF-UHFFFAOYSA-N 302.305 3.616 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 100107585 VSOZXAHPNMJONZ-IJEWVQPXSA-N 300.358 3.834 5 50 DHBA C/C=C1\C[N@+]2(C)CC[C@@]34c5ccccc5N5CCC=C([C@H]1C[C@H]32)[C@@H]54 248086797 SNZBRPHFZNCAHW-NRPGLCPGSA-N 319.472 3.642 5 50 DHBA Cc1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C 253825 DZJOMGGRLNEDSY-UHFFFAOYSA-N 311.750 3.574 5 50 DHBA C[C@H]1C[C@@H](C)CN(CCCCOc2ccc([N+](=O)[O-])cc2)C1 2823168 NDJXZQIFAATGJR-GASCZTMLSA-N 306.406 3.732 5 50 DHBA CCOc1ccc(C(=O)Nc2ccccc2CC)cc1[N+](=O)[O-] 2999927 IGIXQSJNUINCLJ-UHFFFAOYSA-N 314.341 3.808 5 50 DHBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 4187829 BVQKLFGHLDDFSX-UHFFFAOYSA-N 310.353 3.734 5 50 DHBA COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4964427 XMNAKGRJKXEYBT-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2ccccc21 103053 DDYKSNPUZVRRSV-UHFFFAOYSA-N 316.744 3.841 5 50 DHBA O=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 281354 JZHVLTMYWZBRAU-UHFFFAOYSA-N 314.322 3.711 5 50 DHBA CCC[C@H](Nc1cccc([N+](=O)[O-])c1)n1nnc2ccccc21 3032626 YBGIZBDXNVYLOS-MRXNPFEDSA-N 311.345 3.750 5 50 DHBA CCOc1ccccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 471457 VUASLPMOPLTWLP-GFCCVEGCSA-N 314.341 3.736 5 50 DHBA CN(C)/C=C/c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1 49580307 FHSALPVEMLZVON-ZHACJKMWSA-N 323.352 3.777 5 50 DHBA Cc1cc(Cl)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 145219 ITHUUEAWRUKNIH-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 456003 OZIMLLXFBMLCSB-UHFFFAOYSA-N 305.717 3.878 5 50 DHBA CCN(CC)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 38831 ILACFEJISPLWOY-UHFFFAOYSA-N 313.357 3.693 5 50 DHBA in-vivo O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCCC1 175327 VMAKFFKOZSLHDW-UHFFFAOYSA-N 305.359 3.723 5 50 DHBA Nc1cc(Br)c(OCc2ccccc2)cc1[N+](=O)[O-] 4774772 NOZIPGFSSPXNGD-UHFFFAOYSA-N 323.146 3.519 5 50 DHBA CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252680260 YCAMYGWYWHIESJ-ZACQAIPSSA-N 318.417 3.620 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1C 5041779 PDTASQGNEPXZAH-UHFFFAOYSA-N 319.292 3.695 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4542411 NAYZCZLSQWCEQO-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA O=C(NCc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 537024 QBHXVQYDLNIZLG-UHFFFAOYSA-N 322.320 3.785 5 50 DHBA O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccnc1 4997001 RGSSJVQGKHHWRY-UHFFFAOYSA-N 312.112 3.549 5 50 DHBA CCCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 253392844 XKLSIGMASSLLOM-CQSZACIVSA-N 310.369 3.515 5 50 DHBA O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1F 253392885 CWKCKPZZGSMXLV-CQSZACIVSA-N 321.377 3.918 5 50 DHBA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4839469 UFQXUBFRHMSCMU-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA Cc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 91293 IALCPDWUFZISDS-UHFFFAOYSA-N 308.721 3.721 5 50 DHBA O=[N+]([O-])c1cccc(OCCOc2cccc3cccnc23)c1 4870261 HNXXMIZDEVDBAU-UHFFFAOYSA-N 310.309 3.601 5 50 DHBA COc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=C2 3668831 ANFMRSLJKKTEMW-UHFFFAOYSA-N 314.253 3.788 5 50 DHBA biogenic O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)cc3F)c2c1 4118678 HAYJMHDTTNOVHD-UHFFFAOYSA-N 302.240 3.560 5 50 DHBA Cc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 378239 XHOJZTFUQBRGEN-UHFFFAOYSA-N 322.324 3.546 5 50 DHBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1 17031895 ZTSDDRZWYJJLCZ-UHFFFAOYSA-N 309.297 3.682 5 50 DHBA Cc1c(Br)cc([N+](=O)[O-])c(F)c1Br 216699397 IEDUCLXNKAWOGT-UHFFFAOYSA-N 312.920 3.567 5 50 DHBA Cc1ccc([N+](=O)[O-])c(OCCOc2cccc3cccnc23)c1 4841498 HJVSNSZECJXURP-UHFFFAOYSA-N 324.336 3.909 5 50 DHBA O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 4872516 FOGXBXSNQIBSOE-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 225263703 OICVNFXGQKMRIJ-MPPDQPJWSA-N 305.334 3.740 5 50 DHBA O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 230111309 NUECPAFTWQEIOL-XJKSGUPXSA-N 314.389 3.557 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C 1064605 UFLGSXGSHSVFRJ-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA O=C1c2cc(F)ccc2-c2cc(Br)c([N+](=O)[O-])cc21 1701537 XMTJWHNAHDTOMZ-UHFFFAOYSA-N 322.089 3.708 5 50 DHBA Cc1cc(OCn2nc(C)c([N+](=O)[O-])c2C)cc(C)c1Cl 2731892 ZOYOBLMPEHHLOT-UHFFFAOYSA-N 309.753 3.715 5 50 DHBA COc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 300516 FMUDWKYKAQDDBB-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC[C@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1 2041206 UPPMZCXMQRVMME-FUHWJXTLSA-N 306.470 3.846 5 50 DHBA in-man O=[N+]([O-])c1c(NCc2ccc(Cl)cc2)nc2sccn12 4024234 JODBWSLRWQKYOG-UHFFFAOYSA-N 308.750 3.570 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4043745 LTQKSUNCPVIZQA-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 85210075 UVCXLNDAUQGSNL-UHFFFAOYSA-N 310.353 3.888 5 50 DHBA in-vitro C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 2555356 HYJRTXSYDAFGJK-UHFFFAOYSA-N 324.444 3.601 5 50 DHBA in-vivo O=[N+]([O-])c1ccc(Cl)cc1N1CCN(c2ccccc2)CC1 4687569 SKXKCWFGYOXVJT-UHFFFAOYSA-N 317.776 3.575 5 50 DHBA CCCC[C@H](CC)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2774153 AQNKUGNUUVXILY-TZIYXEQSSA-N 304.390 3.941 5 50 DHBA Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 4892556 FQFXYYAJXMUDKL-FNORWQNLSA-N 306.705 3.802 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1 3080981 MMUOZHJVIVYGQT-UHFFFAOYSA-N 316.382 3.775 5 50 DHBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl 4725412 JERNZZPETWOOAV-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] 117040 QKAKQJZOOUDULA-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 612657 QHNCEZUXGPHPKB-KRWDZBQOSA-N 323.352 3.683 5 50 DHBA O=[N+]([O-])c1cccc(Cl)c1[C@H]1NN=C(c2ccccc2)S1 2916117 PTTSYUJAIGANTB-AWEZNQCLSA-N 319.773 3.945 5 50 DHBA Cc1ccc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5047607 WQTDOULOGXGMJX-UHFFFAOYSA-N 316.382 3.942 5 50 DHBA COC(=O)c1cccc(NSc2ccccc2[N+](=O)[O-])c1 138967 LNTOEZQVDKIGAC-UHFFFAOYSA-N 304.327 3.501 5 50 DHBA CCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12 273008 KGBMVTBXAZWXOK-UHFFFAOYSA-N 306.325 3.884 5 50 DHBA Cc1c(NC(=O)COc2ccccc2Cl)cccc1[N+](=O)[O-] 358770 ZIRITEYGWHNXOB-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cn1cc(Cc2ccccc2)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc21 4709205 COWFYFURBGDEIN-UHFFFAOYSA-N 311.297 3.586 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(Cl)=C/c1ccccc1 4600153 HSIWVNOQMKINFV-UVTDQMKNSA-N 302.717 3.813 5 50 DHBA O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 438847 COBZPCIJYVLZEU-RMKNXTFCSA-N 302.717 3.900 5 50 DHBA O=[N+]([O-])c1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1 441853 BGDCTPUMUFBUGH-UHFFFAOYSA-N 315.716 3.889 5 50 DHBA CC(C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4289706 SYRJPPVTRCTMTN-UHFFFAOYSA-N 320.370 3.519 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 63820 WNVAWJJIKAHJKR-RUDMXATFSA-N 302.717 3.900 5 50 DHBA Cc1ccc(-n2cc(C=O)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 732189 BWJOWGSSDMKGTP-UHFFFAOYSA-N 307.309 3.568 5 50 DHBA O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncncc12 226106476 ULYNWOFGCTVEMP-UHFFFAOYSA-N 316.320 3.620 5 50 DHBA O=[N+]([O-])c1cnn(-c2ccccc2)c1Sc1ccc(O)cc1 1875341696 DBYYHIPMYKIRDL-UHFFFAOYSA-N 313.338 3.637 5 50 DHBA O=C(COc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] 5092851 GFFHSUMTQJLGQB-UHFFFAOYSA-N 322.320 3.766 5 50 DHBA O=C(/C=C/c1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 442293 RNJPIDSTYNLEBN-FPYGCLRLSA-N 304.252 3.525 5 50 DHBA O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 225998 WXCIUWMZYPAPDZ-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 457198 GVYXJXMLDJTSMI-ZDUSSCGKSA-N 302.305 3.866 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccnc2)o1 1205651 ABLCUIKJYISMPM-UHFFFAOYSA-N 323.308 3.811 5 50 DHBA COc1ccc(C)cc1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 17053128 LQFHVDRFPJRODZ-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA Cc1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cs1 1056489 SLZAQXMMWYGUQU-UHFFFAOYSA-N 319.367 3.827 5 50 DHBA O=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1 42388922 HUELJXGNXNSEQJ-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc3ccccn3c2Br)cc1 1390342 TZYZRNQKAKPWBQ-UHFFFAOYSA-N 318.130 3.672 5 50 DHBA Cc1c(C(=O)Oc2cccc3cccnc23)cccc1[N+](=O)[O-] 63730 CUSNXHYJUYQOIV-UHFFFAOYSA-N 308.293 3.671 5 50 DHBA Cc1ccccc1-c1cc(=O)oc(-c2cccc([N+](=O)[O-])c2)n1 121297 XAWRZMYBQFHEMH-UHFFFAOYSA-N 308.293 3.585 5 50 DHBA CC(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 299266 LKNYBGVGNKFLIE-UHFFFAOYSA-N 320.370 3.519 5 50 DHBA C[C@H]1C[C@H](C)CN(CCCCOc2ccccc2[N+](=O)[O-])C1 2825322 USZVBVQZZIMENQ-GJZGRUSLSA-N 306.406 3.732 5 50 DHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2ccccc2o1 170960 QSLYZLOTNYOEEC-UHFFFAOYSA-N 300.245 3.732 5 50 DHBA O=[N+]([O-])c1c(-c2ccccn2)c(-c2ccccn2)n2ccccc12 620031 SROATLCNGGVPGU-UHFFFAOYSA-N 316.320 3.972 5 50 DHBA Cc1ncc([N+](=O)[O-])n1CCSc1nc2ccccc2s1 20833 SENAYCDVBMOTJZ-UHFFFAOYSA-N 320.399 3.502 5 50 DHBA Cc1ccccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 443409 PCFKFOZHTFXEQO-UHFFFAOYSA-N 311.297 3.532 5 50 DHBA Cc1ccc(F)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1000184 FKRQBEONGGSIGU-SOFGYWHQSA-N 300.289 3.694 5 50 DHBA N=c1sc2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 23115218 ZHZSAMIVFAOFFZ-UHFFFAOYSA-N 319.773 3.792 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(Cl)c1 94155 GGGVUTJMJGZRRR-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@H]21 100107578 VSOZXAHPNMJONZ-IIAWOOMASA-N 300.358 3.834 5 50 DHBA COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1 78899 LEDXKSDHGGFHLA-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA CCOc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 443529 LZYMZPSAMROVPP-FMIVXFBMSA-N 312.325 3.645 5 50 DHBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCc2ccccc2C1 19537608 CBVVLVWQHUMJQV-UHFFFAOYSA-N 302.761 3.807 5 50 DHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)c([N+](=O)[O-])c1 100170511 JHMMNVQXKFUCCZ-SREVYHEPSA-N 315.241 3.582 5 50 DHBA O=[N+]([O-])c1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1 4118679 RGTNGFYJBUGPDI-UHFFFAOYSA-N 314.732 3.804 5 50 DHBA O=[N+]([O-])c1ccc(Br)cc1N1CCCC(F)(F)C1 169725418 BUJJBYIICIYYML-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 611681 CQLZEXCOWYBMAG-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA O=[N+]([O-])c1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O 36245338 VQZQIIPEQUTIDV-QPJJXVBHSA-N 308.293 3.725 5 50 DHBA CC(=O)Nc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-] 36532883 NXCVNQRTHNNHIN-UHFFFAOYSA-N 315.167 3.613 5 50 DHBA CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 189075 IAAJMOPIVNWXGQ-KRWDZBQOSA-N 323.352 3.683 5 50 DHBA CCOc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 2985755 OESYBKSCOOXYGH-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1[N+](=O)[O-] 122305 FFUGSSRKXJGEGV-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COc1ccc(NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 4842992 FGFVKPOJTDFGEO-UHFFFAOYSA-N 312.281 3.602 5 50 DHBA CC(C)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccs1 130624853 QLFMJDUMMUAUJC-UHFFFAOYSA-N 322.361 3.503 5 50 DHBA COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 103396 XMKZZNHITZUPSA-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1Cl 4069947 BIWKBRGZFWTUPZ-UHFFFAOYSA-N 318.141 3.610 5 50 DHBA CCc1nc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cs1 184716702 WBTBMHWIHHVFCB-NSHDSACASA-N 305.403 3.773 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)s1 4071187 JMHAIMBKOCAFNJ-UHFFFAOYSA-N 312.734 3.571 5 50 DHBA O=[N+]([O-])c1cc(Cl)cc(Br)c1Br 67799958 UQODRTJYQDHKPU-UHFFFAOYSA-N 315.348 3.773 5 50 DHBA CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 441474 KMPKWOCDSIJWSZ-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc([N+](=O)[O-])o1 182717242 NRUJOIIRLJSZSL-UHFFFAOYSA-N 317.688 3.642 5 50 DHBA CSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 2890153 QBTYYJANCSGMPI-UHFFFAOYSA-N 302.355 3.877 5 50 DHBA Cc1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 3091397 YPXWFAPFLZAIEV-UHFFFAOYSA-N 306.709 3.596 5 50 DHBA CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4040997 PPUHJWPOWGAWIV-LFYBBSHMSA-N 312.325 3.645 5 50 DHBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 2550016 JJJCKJORTNOIAC-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 299203 ZNLLPLVJKBIBNN-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA C[C@H](CCc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 315025 SWWSRIXWBINTKY-RDRICISKSA-N 324.380 3.746 5 50 DHBA O=[N+]([O-])c1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 455280 RWMMWUXYOQLXFO-UHFFFAOYSA-N 315.716 3.889 5 50 DHBA O=C(NCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 4986342 BGQSCSGZLMFRGS-UHFFFAOYSA-N 305.721 3.570 5 50 DHBA CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C 17052388 STXDSSYXMURMSC-UHFFFAOYSA-N 313.357 3.957 5 50 DHBA CC[C@@H](C)C[C@@H](CO)Nc1ccnc2c1ccc1cccnc12 2325853224 ISDYJBIRHMNGPG-HIFRSBDPSA-N 309.413 3.992 5 50 DHBA Cc1c(C(=O)N[C@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] 73801 FXPSYSLKOGMHGF-CYBMUJFWSA-N 312.369 3.654 5 50 DHBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 266053 LVEUPRMZIHFCTC-UHFFFAOYSA-N 313.338 3.937 5 50 DHBA O=C(O[C@H]1C=C[C@@H]2CC[C@H]3CC[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 71785734 JRZRZDAXZSLBIC-RTLLQYERSA-N 313.353 3.742 5 50 DHBA Cc1cc(C(=O)Nc2cc(Cl)ccc2O)ccc1[N+](=O)[O-] 239000 SDNIZKJWHITTPT-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA CCO[C@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 4612940 PIPVNMOXKPPQBP-KRWDZBQOSA-N 311.341 3.572 5 50 DHBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1Cl)CCC2 252441197 JYPFMETULURRPP-JNAXZKDPSA-N 322.856 3.906 5 50 DHBA biogenic CC1CCN(c2cc(N3CCCCC3)c([N+](=O)[O-])cc2F)CC1 4192053 IUUFDPKWMIKGRR-UHFFFAOYSA-N 321.396 3.961 5 50 DHBA O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)c(Br)c1 169725379 IQPHNXRTHZBYEU-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 3898144 CJNOQHFTPGQBMZ-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccc(Cl)c1)CCC2 252441259 MLKIWKJPVBEIBD-VPWXQRGCSA-N 322.856 3.906 5 50 DHBA biogenic Cc1nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 618896 PBEQYYYZRZFWIS-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA Cc1cc(Oc2ncccc2[N+](=O)[O-])ccc1Br 125558534 NVFPJCLBGBCNEV-UHFFFAOYSA-N 309.119 3.853 5 50 DHBA CC[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[N+](C)(C)[O-] 71767246 XXKGQKYISFNEFI-PMACEKPBSA-N 313.441 3.717 5 50 DHBA Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Cl)c1 859893 KKYULENQOOQTKL-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(F)cc1 4603502 PAGJZNFKEQFUFC-RUDMXATFSA-N 300.289 3.694 5 50 DHBA CCOc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 463846 NDXHIWMKCVKMTL-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CCC[N+](C)(CCC)C[C@H](O)COc1ccc2ccccc2c1 1995073 PMMQEZIYHOQAOC-IBGZPJMESA-N 316.465 3.846 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl 4947775 UGCCSUWFXDTOPB-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccc(Cl)c1)CCC2 252441260 MLKIWKJPVBEIBD-XAUMDUMWSA-N 322.856 3.906 5 50 DHBA biogenic C[C@H]1c2ccccc2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 341067982 SCMYEENDWKTWEF-ZDUSSCGKSA-N 310.353 3.631 5 50 DHBA CCc1cccc(CC)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 474453 SHNLJPFPURCLFE-UHFFFAOYSA-N 324.336 3.520 5 50 DHBA COc1cc(-c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 2874530 JLGPTZFSIIXRIH-UHFFFAOYSA-N 316.338 3.889 5 50 DHBA C[C@H]1Cc2ccccc2N1C(=S)Nc1cccc([N+](=O)[O-])c1 611813 NCKNJUSEUIUOKV-NSHDSACASA-N 313.382 3.743 5 50 DHBA COc1cc2nc3cc([N+](=O)[O-])ccc3c(Cl)c2cc1OC 4577120 JTUBTXLHWQGBAT-UHFFFAOYSA-N 318.716 3.967 5 50 DHBA COc1ccc(NC(=O)CCCc2ccccc2)c([N+](=O)[O-])c1 4702875 GKAZJMQMTCKTQA-UHFFFAOYSA-N 314.341 3.565 5 50 DHBA O=[N+]([O-])c1c(Br)cccc1N1CCCC(F)(F)C1 169725356 PHLVDPWMGXZFFR-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)/C=C/c1ccccc1)CCC2 253390572 WTBBSBSTSYXEEI-HKSWWKPUSA-N 314.449 3.652 5 50 DHBA biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 146695 ZMGMWXHXKJWBNM-RUDMXATFSA-N 303.701 3.867 5 50 DHBA Cc1ccc(NC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 4825348 YVHQDULDGFERJY-UHFFFAOYSA-N 302.355 3.634 5 50 DHBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl 133717 QETYDVNJQKICOT-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA CCCOc1cc(NC(C)C)c([N+](=O)[O-])cc1Br 85477135 PSQQUKLSHXGSGN-UHFFFAOYSA-N 317.183 3.966 5 50 DHBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl 2168652 DPQYRXNRGNLPFC-UHFFFAOYSA-N 304.995 3.829 5 50 DHBA biogenic COc1ccc(C)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F 1738486 GYFGQMKRWHLTFB-UHFFFAOYSA-N 319.292 3.695 5 50 DHBA Cc1ccc(OCc2nc(-c3cccs3)no2)c([N+](=O)[O-])c1 4686674 MXMWOJAICKJTNO-UHFFFAOYSA-N 317.326 3.594 5 50 DHBA COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1[N+](=O)[O-] 103380 FPEIHKLCTYTIPH-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA Cc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 442609 VSWPZVXRIJKLRX-UHFFFAOYSA-N 315.716 3.595 5 50 DHBA O=C(O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4769159 PKXMAFZOSSKMAN-XYOKQWHBSA-N 303.701 3.873 5 50 DHBA O=[N+]([O-])c1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1 6862943 XSQMYFTXSXHPDQ-UHFFFAOYSA-N 302.240 3.560 5 50 DHBA O=[N+]([O-])c1ccc(O)c(CSc2nc3ccccc3o2)c1 36127191 NEPDPBDNVOXBTO-UHFFFAOYSA-N 302.311 3.734 5 50 DHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 617601 RETZZTYLUSOCIQ-MRXNPFEDSA-N 314.341 3.699 5 50 DHBA Cc1cc(C(=O)Nc2cccc3cccnc23)ccc1[N+](=O)[O-] 521800 DDPQUBIPCFUQMH-UHFFFAOYSA-N 307.309 3.704 5 50 DHBA Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 5059850 IGLPIUITEGVXAE-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=[N+]([O-])c1cnc(N2CC3(CCCC3)[C@H]2c2ccccc2)nc1 408520975 DGJVSIZXVXMLRZ-OAHLLOKOSA-N 310.357 3.507 5 50 DHBA O=C(Nc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 69325 DWXXIIAUWRLEPK-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA Cc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1[N+](=O)[O-] 557770 OGUWLMZBMZKIFD-UHFFFAOYSA-N 322.267 3.757 5 50 DHBA Cc1cccc(Oc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)c1 268829 NITOTNZPPAEAHZ-UHFFFAOYSA-N 310.309 3.547 5 50 DHBA O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)c3ccccc3n2)c1 468867 HKJCVJNRFACWQS-UHFFFAOYSA-N 320.352 3.805 5 50 DHBA O=C(Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 362910 JNAUOCDRHXZHDA-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CC(C)Oc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 373690 POFLQVOTXOSVGQ-UHFFFAOYSA-N 318.304 3.773 5 50 DHBA CCOc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 467093 ZOTJACQRXZYOSP-UHFFFAOYSA-N 311.297 3.711 5 50 DHBA CC(C)(C)NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 198366 QNWGITGWEDGVDP-UHFFFAOYSA-N 314.341 3.915 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)cccc1C 17053161 STLHXAWNNQEELH-UHFFFAOYSA-N 315.329 3.864 5 50 DHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F 461614 KUUJSMMSFUQSRH-UHFFFAOYSA-N 308.696 3.569 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 2534678 HAIYIMXGZBLMBW-RMKNXTFCSA-N 316.744 3.578 5 50 DHBA CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 465553 CGBZFSLGBCECLY-OUKQBFOZSA-N 310.353 3.657 5 50 DHBA C[C@H](Oc1cccc([N+](=O)[O-])c1C(=O)O)[C@H](C)c1ccccc1 4569216 SXGPRSVGKLZJOU-RYUDHWBXSA-N 315.325 3.864 5 50 DHBA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C 4918620 UIXSBYBQWJDEIT-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 64763 FWMMIDGETIMDPY-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)cc(C)cc1C 145228 XVYZZVGDMUDPAL-UHFFFAOYSA-N 314.341 3.781 5 50 DHBA O=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 545070 QLKJGNMZGZENRY-UHFFFAOYSA-N 315.310 3.564 5 50 DHBA CCc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 17053131 IKPHVNDYGTVIJJ-UHFFFAOYSA-N 315.329 3.810 5 50 DHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 442338 HQHGTAFXRZLEOC-MRXNPFEDSA-N 314.341 3.699 5 50 DHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 101901344 VWIFXHNXLPGKEG-ZPFDUUQYSA-N 322.792 3.803 5 50 DHBA C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 307196 WHOXNVSBKRZVLF-JTQLQIEISA-N 304.733 3.739 5 50 DHBA Cc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1[N+](=O)[O-] 476697 BPIGKQWKPZLRNF-UHFFFAOYSA-N 318.760 3.529 5 50 DHBA Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cn2)n1 1057748 MKIPBZYIWXBVAY-UHFFFAOYSA-N 324.365 3.906 5 50 DHBA COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4010487 LQBQEIRQPJVQJZ-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 8548829 IVXXUOJNYNRRBU-UHFFFAOYSA-N 305.721 3.512 5 50 DHBA CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(Cl)cc2C1 95495788 RVZBFIOVXHTQEM-UHFFFAOYSA-N 312.753 3.541 5 50 DHBA Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 38844 JYBBTKUULQMUCL-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=[N+]([O-])c1cnc(Cl)nc1Nc1ccc(Cl)c(F)c1 224990229 VIPUSSNQCKPXFD-UHFFFAOYSA-N 303.080 3.574 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1c(F)cccc1Cl 4704415 RJVVDJYMBAMGJJ-UHFFFAOYSA-N 322.723 3.877 5 50 DHBA COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 5002692 NLKJMXVTKCSLGP-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Cl)c1 308661 HOLKTDDHRWZMCY-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1386998 PQPNQDHOIZFCMF-UHFFFAOYSA-N 316.382 3.884 5 50 DHBA CC(C)COc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4544114 WQCLMNJQGXYLJB-UHFFFAOYSA-N 314.341 3.882 5 50 DHBA O=C(NCCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 5063171 PUXWJNNGRQBRKO-UHFFFAOYSA-N 319.748 3.612 5 50 DHBA Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1[N+](=O)[O-] 469799 LMMOKRSIVOFAIS-UHFFFAOYSA-N 320.345 3.773 5 50 DHBA COc1cccc(OCCCOc2ccc(C)cc2[N+](=O)[O-])c1 2985136 ICXVYNQYTHEFHO-UHFFFAOYSA-N 317.341 3.760 5 50 DHBA O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCCC1 6473384 VEWUXLGAIXYZPN-UHFFFAOYSA-N 310.762 3.699 5 50 DHBA COC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 259836 ARNLUTFWHBZERP-UHFFFAOYSA-N 303.339 3.841 5 50 DHBA Cc1cccc([N+](=O)[O-])c1NC(=O)Sc1ccc(O)cc1 4793699 FJSKUWRPBPZYQJ-UHFFFAOYSA-N 304.327 3.933 5 50 DHBA O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 244277 UJNOYTXEORQEGS-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA CC1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4881481 JZWJAOQHNJXGEH-UHFFFAOYSA-N 307.369 3.570 5 50 DHBA CC1=C[C@H](C)C(=O)N(CC[N@+]2(C)C[C@H](C)CC2(C)C)C(C)=C1 255982993 KGSJKMLLYXBMPA-VWKPWSFCSA-N 305.486 3.580 5 50 DHBA O=[N+]([O-])c1ccc(NC(=S)NCCC2=CCCCC2)cc1 5041777 RBJGCJHOFVXQNP-UHFFFAOYSA-N 305.403 3.772 5 50 DHBA Cc1cc(Nc2ccn([C@H](C)c3ccccc3)n2)ncc1[N+](=O)[O-] 610735194 IEFCLFCACHYBBG-CYBMUJFWSA-N 323.356 3.848 5 50 DHBA Cc1cc(-c2nc3cc(Cl)ccc3c(=O)o2)ccc1[N+](=O)[O-] 1504538 XRAIRTZFRMQROG-UHFFFAOYSA-N 316.700 3.725 5 50 DHBA Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 2732079 DMVJKDDAJTUBDR-UHFFFAOYSA-N 316.144 3.751 5 50 DHBA C[C@]1(c2ccc([N+](=O)[O-])cc2)NN=C(Cc2ccccc2)S1 5018352 MAVGAGYQGJMUDU-INIZCTEOSA-N 313.382 3.660 5 50 DHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 103138 PHGOXMHUUDTBPH-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc12 2723912 SZHCOZUPHPBRAE-UHFFFAOYSA-N 317.326 3.667 5 50 DHBA O=[N+]([O-])c1cccc(NCn2c(=S)[nH]c3ccccc32)c1 5594348 MVKQJXIHZGFRPT-UHFFFAOYSA-N 300.343 3.677 5 50 DHBA Cc1ncc(-c2nnc3c4ccccc4c4ccccc4n23)n1C 32603564 MEBGBIQQKZAXCD-UHFFFAOYSA-N 313.364 3.745 5 50 DHBA O=[N+]([O-])c1cc(Cl)c(Br)cc1OCC1CC1 95494768 VRLWUGSSQMOBKC-UHFFFAOYSA-N 306.543 3.800 5 50 DHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 103136 PHGOXMHUUDTBPH-JTQLQIEISA-N 304.733 3.739 5 50 DHBA CCOc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 464503 VBNKRCAIKJLXGG-KPKJPENVSA-N 312.325 3.645 5 50 DHBA CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 475976 ZXXKAZYEFUYGPA-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CC(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 5061418 NYVMCRMFOBXDNO-UHFFFAOYSA-N 319.700 3.670 5 50 DHBA O=C(O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 85560 JGYFFTQRRDPOIR-GKUGFIGPSA-N 301.342 3.517 5 50 DHBA Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 4695567 IIDGDGBQRTVFOU-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl 5093457 UKIVZAZPWLSXJX-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)o2)cc1 5034946 PMGLQPUTJWADQX-UHFFFAOYSA-N 303.299 3.530 5 50 DHBA COC(=O)c1cc(-c2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1 97757350 QNRWDUMBJLVORG-UHFFFAOYSA-N 309.680 3.841 5 50 DHBA CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 103024 WKNXXIWQPIKWEA-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 288699 NBBCRDKZQJMSCV-JTQLQIEISA-N 304.733 3.739 5 50 DHBA O=C(O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1 4652080 VCUCJKGNGZHZDB-UHFFFAOYSA-N 307.689 3.525 5 50 DHBA O=[N+]([O-])c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 2863327 QUTJOURGIJNWAN-UHFFFAOYSA-N 301.195 3.730 5 50 DHBA CCOC(=O)c1ccc(-c2ccc(/C=C(\C)[N+](=O)[O-])o2)cc1 52544 QYUGUYXZMCCSDG-ZHACJKMWSA-N 301.298 3.761 5 50 DHBA C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N5CCC=C([C@H]1C[C@H]32)[C@H]54 248086799 SNZBRPHFZNCAHW-WEZCEQNJSA-N 319.472 3.642 5 50 DHBA CC(C)NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 472308 XPKRBRZQFSLXTN-UHFFFAOYSA-N 308.721 3.646 5 50 DHBA O=[N+]([O-])c1cccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)c1 4808883 FGXXBNPGOGMZAB-UHFFFAOYSA-N 324.384 3.643 5 50 DHBA O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccncc2)c2ccncc12 301911078 GHMXEPVRAXZINW-INIZCTEOSA-N 320.352 3.880 5 50 DHBA CC(C)(C)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 2325782181 BCEIQLGHUHEMMZ-UHFFFAOYSA-N 317.320 3.679 5 50 DHBA O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1Cl 223905 FLZGVZJYGMRJKZ-UHFFFAOYSA-N 312.112 3.549 5 50 DHBA COc1ccc(C=O)cc1COc1ccc(Cl)cc1[N+](=O)[O-] 614347 OSKSQGFTVLHJLI-UHFFFAOYSA-N 321.716 3.648 5 50 DHBA O=[N+]([O-])c1cccc(Br)c1N1CCC(F)(F)CC1 169725446 SFUHPLNKLVNKQS-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 619301 JUDFLTRKBXSWIT-UHFFFAOYSA-N 320.345 3.606 5 50 DHBA Cc1c(C(=O)NCCSC2CCCCC2)cccc1[N+](=O)[O-] 2816115 DUAIIQNSADBVHT-UHFFFAOYSA-N 322.430 3.699 5 50 DHBA CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C 222154826 NNVFVYPAFHMBHY-NOXHYTERSA-N 306.406 3.613 5 50 DHBA Cc1ccc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 466165 BPRKXLICDIPYAI-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=C(O)c1ccc(Nc2ccc3cccc([N+](=O)[O-])c3n2)cc1 5589352 IUDBWPLCOSSTKF-UHFFFAOYSA-N 309.281 3.585 5 50 DHBA CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5063058 LNQXTAMELOOULQ-UHFFFAOYSA-N 313.313 3.750 5 50 DHBA Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 313800 HEQHCEMLTSTZSQ-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl 451214 ZYCSVIVONVJXKR-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc1 616089 XNMZGXRKRGCZKW-UHFFFAOYSA-N 311.297 3.532 5 50 DHBA Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 449645 YPKKMETVEVQWIB-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA COc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1[N+](=O)[O-] 1795892 VGIJODHQJCGSNL-LBPRGKRZSA-N 308.378 3.548 5 50 DHBA CCN(CC)c1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4983422 AUPYAOOYKRDXPQ-UHFFFAOYSA-N 313.357 3.693 5 50 DHBA CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 858841 WIAJINAFILKRNA-UHFFFAOYSA-N 314.341 3.863 5 50 DHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)s1 2760965 DMBYJFJRXWDSMS-UHFFFAOYSA-N 300.698 3.701 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O 4582396 HDZNXUFSRGJXLN-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA Cc1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 470286 CDDOJKHNIVGABH-UHFFFAOYSA-N 312.285 3.688 5 50 DHBA CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5073209 RZZMABKLIKFXSV-UHFFFAOYSA-N 314.341 3.882 5 50 DHBA O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 4996940 YPPIRROIBPFBPP-BJMVGYQFSA-N 302.717 3.900 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl 5020986 UIAREZLCNNLIFN-UHFFFAOYSA-N 312.112 3.549 5 50 DHBA COc1ccc([N+](=O)[O-])c(C[C@H]2c3ccccc3C=CN2C)c1 71775033 PONWIMNTPYOGAF-SFHVURJKSA-N 310.353 3.803 5 50 DHBA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 442337 HQHGTAFXRZLEOC-INIZCTEOSA-N 314.341 3.699 5 50 DHBA CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 452408 CAFZLEVMTOWJEP-UHFFFAOYSA-N 305.359 3.601 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCc1ccccc1 4755385 AHANJPRSYJKUDI-UHFFFAOYSA-N 314.341 3.565 5 50 DHBA CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 170618995 RZSHNDZOLPDEBE-QGZVFWFLSA-N 323.352 3.683 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1Cc1nc(O)c2c(C)csc2n1 253630019 QWVDZHVUVGPXCE-UHFFFAOYSA-N 315.354 3.513 5 50 DHBA CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 102120 IXVKYIWZFKGGIX-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1C 440412 FYYWBHJINGWXRG-UHFFFAOYSA-N 314.341 3.579 5 50 DHBA CC1=C[C@H](C)C(=O)N(CC[N@+]2(C)C[C@@H](C)CC2(C)C)C(C)=C1 255982991 KGSJKMLLYXBMPA-CKJXQJPGSA-N 305.486 3.580 5 50 DHBA Cc1cc(=O)oc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12 471249 AFDMKZBWSPXVRV-UHFFFAOYSA-N 311.293 3.589 5 50 DHBA O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1Cl 4853135 FDXRGJRJMMDVJS-UHFFFAOYSA-N 318.141 3.610 5 50 DHBA O=C(Nc1cc(F)ccc1F)OCc1ccc([N+](=O)[O-])cc1 2166278 JJYNBVIVIDZAPZ-UHFFFAOYSA-N 308.240 3.622 5 50 DHBA O=C(CCNc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2519789 FREUSOCSLXNLCH-UHFFFAOYSA-N 304.733 3.933 5 50 DHBA CCOc1cccc2c1O[C@@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 103620 BFZXDHIUPNWOMT-INIZCTEOSA-N 315.300 3.976 5 50 DHBA in-vitro COc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 288679 QMFRJXWRXPLSCB-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(c1csc([N+](=O)[O-])c1)N1CCC=Cc2ccccc21 190104263 OLALDXMHSCKLPV-UHFFFAOYSA-N 300.339 3.720 5 50 DHBA Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 302722317 MUWGUAOYBORSBI-NSHDSACASA-N 317.311 3.713 5 50 DHBA Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 8548823 XGWYVACCJWSFSG-UHFFFAOYSA-N 305.721 3.512 5 50 DHBA Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4041776 VBOOGPRVSBAIAK-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA O=C(O)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2s1 1462904 DCBYBIJAKTXAMJ-UHFFFAOYSA-N 300.295 3.570 5 50 DHBA O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 6815692 GGBGFLPFJKWRII-UHFFFAOYSA-N 304.733 3.933 5 50 DHBA Cc1c(C(=O)Nc2nc3ccccc3s2)cccc1[N+](=O)[O-] 187727 SIHVIDMIKNQGPY-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 449444 GSRKUHONOLYWBW-KRWDZBQOSA-N 323.352 3.683 5 50 DHBA CCc1cccc(CC)c1NC(=O)Cc1ccccc1[N+](=O)[O-] 555153 VQVKLGVZEJTDSN-UHFFFAOYSA-N 312.369 3.901 5 50 DHBA COc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 244454 VLBLGBNVXOKLSS-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc(O)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 330828 HTPSLDUQDAESRR-UHFFFAOYSA-N 320.732 3.823 5 50 DHBA COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] 461821 TTXLQILOQDHFPQ-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA CC(C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 303788 QWOHRNYYOXFYSA-UHFFFAOYSA-N 323.292 3.657 5 50 DHBA Cc1ccc(CCc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 2529499 KPOQNWFKLHNDDP-UHFFFAOYSA-N 300.314 3.905 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 144589 KSAQJLZZYIXLGK-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4040201 NRRGEUKXIMGPIE-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(Nc1nccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 4842016 CDBGUOPKWNXZDX-UHFFFAOYSA-N 315.310 3.564 5 50 DHBA O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1 5731494 NPLDNIQZLKVHLQ-UHFFFAOYSA-N 312.354 3.672 5 50 DHBA Cc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 5093940 KAJUPWWBCPMKEA-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA CC(=O)Nc1ccc2nc3c4ccccc4c(=N)cc-3oc2c1 4528647 RBWQBBLNRPWMBM-UHFFFAOYSA-N 303.321 3.524 5 50 DHBA COc1ccc(NC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 5094453 VAXZVMJEALHROP-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA COc1cc(C)ccc1OCCCOc1ccc([N+](=O)[O-])cc1 2984057 BHNLDTSFJFZZKU-UHFFFAOYSA-N 317.341 3.760 5 50 DHBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl 5060031 ATBMJCFIMUJGKP-UHFFFAOYSA-N 323.707 3.673 5 50 DHBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 317034 RJXHUYHFTUIYEU-VQHVLOKHSA-N 302.717 3.900 5 50 DHBA COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 614981 ONTCEXDQPALIFM-UHFFFAOYSA-N 308.378 3.548 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 615883 CPIKPLOLVMTKGG-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA Cc1ccc(OCCCN2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 2822994 XPZZFZKVWWOQPU-HUUCEWRRSA-N 306.406 3.650 5 50 DHBA CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 102217 ZKMGGLMYUVPHEJ-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl 318482 NOZZQPZLRLNZPD-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c2nonc12 3879048 NOTBIKCWMFOMFI-UHFFFAOYSA-N 324.218 3.893 5 50 DHBA COc1c(O)ccc2c1cnc1c3cc4c(cc3ccc21)OCO4 5998671 GJJFWGQGJJGJEO-UHFFFAOYSA-N 319.316 3.984 5 50 DHBA biogenic O=[N+]([O-])c1cccc(Br)c1N1CCCC(F)(F)C1 169725445 BWAFGDCYZOREFW-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1CCc1ccc([N+](=O)[O-])cc1C 2171323 DUSWUNUUPHBELH-UHFFFAOYSA-N 300.314 3.905 5 50 DHBA COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 303037 NIIVMEFMJIRWFN-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 304998 YJUMQVFYBYPVDP-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 621201 HMRBMBINXVKJFE-UHFFFAOYSA-N 323.304 3.811 5 50 DHBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 143431 FUVGJASYGHQIPV-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA COc1ccc(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4544186 DPNGLVGXAXIMAA-UHFFFAOYSA-N 314.341 3.565 5 50 DHBA COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 461611 PHIVWKGVVKPQFP-DHZHZOJOSA-N 312.325 3.564 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Sc1ccc(O)cc1 2156351 LOTXAIVDRQIKOK-UHFFFAOYSA-N 304.327 3.933 5 50 DHBA COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 59201 XUVVNCWHABEWGN-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 208501 DAEHQTYJJQDOBU-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA CCOc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 456683 AGBYZRYWYDFJTF-UHFFFAOYSA-N 305.717 3.878 5 50 DHBA O=[N+]([O-])c1ccc(Oc2ccnc3cc(O)ccc23)c(F)c1 143494612 ORSCRIJOVRKFEO-UHFFFAOYSA-N 300.245 3.780 5 50 DHBA CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 475348 RDRYWNGZNIMSCD-JXMROGBWSA-N 304.390 3.749 5 50 DHBA Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] 859659 UYQVQUBXEJVYBS-CQSZACIVSA-N 312.369 3.654 5 50 DHBA C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 225263594 OICVNFXGQKMRIJ-ZPFDUUQYSA-N 305.334 3.740 5 50 DHBA CC[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 617600 RETZZTYLUSOCIQ-INIZCTEOSA-N 314.341 3.699 5 50 DHBA CC(C)c1ccc(CNCC2SCCS2)cc1[N+](=O)[O-] 850400519 GCMZFTBOHGIYND-UHFFFAOYSA-N 312.460 3.614 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 41699 VVNVULOSTOJUBS-BQYQJAHWSA-N 302.717 3.900 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 3995276 TZDCWSSFXSVSEK-UHFFFAOYSA-N 300.358 3.750 5 50 DHBA O=[N+]([O-])c1ccc(N2CCN(C3CCCCCCC3)CC2)cc1 23282286 AKKHUTNXTZPTPK-UHFFFAOYSA-N 317.433 3.830 5 50 DHBA C[N+](C)(C)C1C(c2ccccc2)C([N+](C)(C)C)C1c1ccccc1 71785715 BISGOBVFPPSEER-UHFFFAOYSA-N 324.512 3.717 5 50 DHBA O=[N+]([O-])c1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 110454339 ZKKRUQRUOWSAAQ-UHFFFAOYSA-N 321.270 3.562 5 50 DHBA CCOc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 611774 RVWSCCFPLSYLEI-UHFFFAOYSA-N 315.329 3.946 5 50 DHBA O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1Cc1ccccc1 307336 LPQZIJMSKXXKMU-UHFFFAOYSA-N 314.728 3.611 5 50 DHBA CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4819844 QOIVFONDJZEPHF-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1ccc(C(C)=O)cc1COc1ccc(C)c([N+](=O)[O-])c1 4870352 ZIURQUKZKSPDCO-UHFFFAOYSA-N 315.325 3.693 5 50 DHBA CCOc1cccc2c1O[C@H](c1ccc(F)cc1)C([N+](=O)[O-])=C2 103623 BFZXDHIUPNWOMT-MRXNPFEDSA-N 315.300 3.976 5 50 DHBA in-vitro Cc1ccc(N/C=C(\[C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c1 3041906 CSMQMKXQLONWMF-BRVCPTFNSA-N 324.336 3.745 5 50 DHBA O=[N+]([O-])c1c(Nc2ccc(C3CC3)cc2)nc2sccn12 1307083182 HMRFIUASTBOTTI-UHFFFAOYSA-N 300.343 3.925 5 50 DHBA CCCc1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 4749291 REVWSHNXSKVINA-UHFFFAOYSA-N 320.370 3.870 5 50 DHBA O=[N+]([O-])c1ccc2cnn(CN3CCC[C@H]4CCCC[C@H]43)c2c1 230111315 NUECPAFTWQEIOL-CZUORRHYSA-N 314.389 3.557 5 50 DHBA Cc1ccc(NC(=O)NCc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 4799915 DAVSDSXWLZGUDH-UHFFFAOYSA-N 313.357 3.842 5 50 DHBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 168668 XYQVGCWCODMPCR-OAHLLOKOSA-N 318.304 3.530 5 50 DHBA COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 288734 WGXYJPYVIWGHFY-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCCCC1 375537 BVBCNGMAFXAPMD-VAWYXSNFSA-N 302.374 3.837 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)c1ccco1 156033350 MOVMYSUAFYOTEZ-NSHDSACASA-N 303.318 3.721 5 50 DHBA Cc1cccc2cc3cnn(-c4cccc([N+](=O)[O-])c4)c3nc12 170619003 BBFZXMVQTZGDTA-UHFFFAOYSA-N 304.309 3.790 5 50 DHBA CC[C@@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[N+](C)(C)[O-] 71767247 XXKGQKYISFNEFI-WOJBJXKFSA-N 313.441 3.717 5 50 DHBA O=[N+]([O-])c1c(Br)cccc1N1CCC(F)(F)CC1 169725358 AAJYVXHQDOSEDX-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 168663 XYQVGCWCODMPCR-HNNXBMFYSA-N 318.304 3.530 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 255937 MEYXYYXOUMOXSA-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA COc1ccccc1Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] 3880008 KRQVTLPTVFLNBF-UHFFFAOYSA-N 303.274 3.564 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)Oc1cccc2cccnc12 2164679 DNDPTCRDIRIHJU-UHFFFAOYSA-N 309.281 3.754 5 50 DHBA Cc1c(NC(=O)/C=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] 464082 KKYSPQBZADQOCY-JXMROGBWSA-N 300.289 3.694 5 50 DHBA Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] 859657 UYQVQUBXEJVYBS-AWEZNQCLSA-N 312.369 3.654 5 50 DHBA O=[N+]([O-])c1cnc2cc(F)c(Br)cc2c1Cl 114990069 IAWVWGGVXZPWRQ-UHFFFAOYSA-N 305.490 3.698 5 50 DHBA CC1(C)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[N@@]21 1857525283 ZURRJBURTJNBNL-HLIPFELVSA-N 307.353 3.559 5 50 DHBA O=C(CS/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1 408516293 RASUWCBREPIBBN-CMDGGOBGSA-N 304.327 3.530 5 50 DHBA Cc1ccc(SC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 302327 UIYSQWGFYBRNQB-UHFFFAOYSA-N 303.339 3.601 5 50 DHBA O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 2485523 FRFOXBSTPQRRJL-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 170988 QWANHXCQNXVNLC-UHFFFAOYSA-N 323.308 3.811 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 4689106 OIUNACZWUGFSOG-UHFFFAOYSA-N 312.281 3.602 5 50 DHBA Cc1cc(C(=O)NCCCCc2ccccc2)ccc1[N+](=O)[O-] 2774396 CNDMHIUSRJVEGK-UHFFFAOYSA-N 312.369 3.656 5 50 DHBA CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 17030763 GQZHGJYTICWIDU-ZDUSSCGKSA-N 302.305 3.866 5 50 DHBA Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 193795 YPEHGSPRIJSMRY-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 375319 DCLQDNUNRVCWNL-FNORWQNLSA-N 306.705 3.802 5 50 DHBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 2879944 BFGDUXNYOCVMCM-UHFFFAOYSA-N 312.325 3.623 5 50 DHBA Cc1sc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1[N+](=O)[O-] 251919601 ADUDTQFVMMKVJO-QNWJLWSRSA-N 320.414 3.519 5 50 DHBA Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 466627 TZPDXCWAGFMALI-ZDUSSCGKSA-N 314.341 3.618 5 50 DHBA Cc1cccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 4042283 FJXGGTNVJCPPAC-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA CCc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 4078831 YTQHWWVZNNZOIK-VQHVLOKHSA-N 302.355 3.871 5 50 DHBA Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5006433 XYXHNETVRFZTCT-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])o1 45667 CTRXVTSQAGACKW-UHFFFAOYSA-N 301.085 3.747 5 50 DHBA C[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 471383 KSWAUQRCAXOIRZ-JTQLQIEISA-N 304.733 3.990 5 50 DHBA Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 4699896 CVXJXALNCSMXMM-UHFFFAOYSA-N 314.385 3.602 5 50 DHBA O=[N+]([O-])c1cccc(Cl)c1[C@@H]1NN=C(c2ccccc2)S1 2916116 PTTSYUJAIGANTB-CQSZACIVSA-N 319.773 3.945 5 50 DHBA O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccccc3Cl)n2)cc1 103522050 IDFSEOALACKTMS-UHFFFAOYSA-N 315.716 3.807 5 50 DHBA Cc1ccc(Cl)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 442673 MDDWIMUJLBQDIW-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA CC(=O)c1ccccc1OC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 3086157 NDXYVXRCVIDXOQ-UHFFFAOYSA-N 314.297 3.717 5 50 DHBA CCOc1cc([N+](=O)[O-])cc(-c2nc3ccccc3s2)c1O 4662383 OWGZPWDXJGJNSZ-UHFFFAOYSA-N 316.338 3.976 5 50 DHBA Cc1c(C(=O)Nc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] 4855087 RTLHCDQENCMQRB-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA C[C@H](NC(=O)[C@@H](C)c1cccs1)c1ccc(F)c([N+](=O)[O-])c1 1776005388 AVCIMIMHUDKRSW-UWVGGRQHSA-N 322.361 3.776 5 50 DHBA COC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 317995 PJRCKQDQVKEMLR-UHFFFAOYSA-N 307.689 3.827 5 50 DHBA O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 5013980 GRNGMAABIXVIRQ-UHFFFAOYSA-N 319.748 3.612 5 50 DHBA O=C(CCNc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 196225236 RZKIUELKBIBQDD-UHFFFAOYSA-N 304.733 3.933 5 50 DHBA O=C(NCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 447627 IZABQXHILHZHDJ-UHFFFAOYSA-N 322.320 3.785 5 50 DHBA Nc1c(-c2ccccc2Cl)cnn1-c1cccc([N+](=O)[O-])c1 3133832 CHSTYASAQDSPGU-UHFFFAOYSA-N 314.732 3.683 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C)=C\c1ccccc1 4677035 FBFOYJGGEWGZFS-BENRWUELSA-N 312.325 3.645 5 50 DHBA O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 311890 NGUYWFYVLFBHLK-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA Cc1ccccc1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 248072266 ACPFNADODZHAHS-HQRMLTQVSA-N 302.438 3.561 5 50 DHBA biogenic Cc1c(NC(=O)CSCc2ccccc2)cccc1[N+](=O)[O-] 2833711 BJHYHMGLBMRCEZ-UHFFFAOYSA-N 316.382 3.775 5 50 DHBA CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 102209 VDXXOPRODPNYIW-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1 265799 DCZOGZKXROXZRD-UHFFFAOYSA-N 309.119 3.732 5 50 DHBA CCc1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2F)cs1 1875275275 OEURAXIFNQBBGE-VIFPVBQESA-N 309.366 3.604 5 50 DHBA Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 4949469 LUCBRCDVOJLKOZ-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA CC(=O)c1cccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 1741703 UHEOWLKUOMPKJM-UHFFFAOYSA-N 317.276 3.581 5 50 DHBA CCO[C@H](C)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 170628869 DKIQHQKMFAXIHL-MRVPVSSYSA-N 319.342 3.957 5 50 DHBA CCSc1nnc(Sc2ccsc2[N+](=O)[O-])s1 601101534 YZEAKPXLBGFQEH-UHFFFAOYSA-N 305.431 3.771 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O 247785 YZJSKRBKHCLMQC-UHFFFAOYSA-N 308.293 3.706 5 50 DHBA biogenic Cc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 620158 NTEXZQIZUNODQW-UHFFFAOYSA-N 316.382 3.942 5 50 DHBA Cc1ccc(NC(=S)NCc2ccc(F)cc2)c([N+](=O)[O-])c1 5041280 FCVIXCALCKIXCJ-UHFFFAOYSA-N 319.361 3.529 5 50 DHBA COc1ccc(NC(=S)Nc2ccccc2F)c([N+](=O)[O-])c1 17055667 XGWVWBITGHIWEF-UHFFFAOYSA-N 321.333 3.551 5 50 DHBA O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(O)cc1 4054467 HOFXFKYTWSEYDP-UHFFFAOYSA-N 309.119 3.807 5 50 DHBA CNC(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2885005 XHBLSABSAOUVMM-UHFFFAOYSA-N 319.411 3.662 5 50 DHBA O=[N+]([O-])c1ccccc1NCc1nc(-c2cccs2)c[nH]1 170619609 NRSYCFPMOOLTLR-UHFFFAOYSA-N 300.343 3.659 5 50 DHBA CCCNc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] 5068689 QTJXHRZIRUHBSC-UHFFFAOYSA-N 313.357 3.977 5 50 DHBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 6528198 BWKBRENHHLIMCF-UHFFFAOYSA-N 310.762 3.995 5 50 DHBA O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc([N+](=O)[O-])o1 2325776833 DCQQPUWOELHFGN-UHFFFAOYSA-N 309.281 3.502 5 50 DHBA COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1 4091237 HGVDYDIWZCHHKB-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 18069434 KSJKKZIFUIBWPY-NLKGSNSHSA-N 315.369 3.606 5 50 DHBA O=C(Nc1nccs1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 616265 QUXHHAVSQLVISY-UHFFFAOYSA-N 315.310 3.564 5 50 DHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 101901352 VWIFXHNXLPGKEG-MRBYEJRBSA-N 322.792 3.803 5 50 DHBA O=[N+]([O-])c1cccc(CNc2ccc(Br)cc2)c1 295120 HODXKQWIMHRGSS-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 446438 PYHQNAYHZIZPES-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA O=[N+]([O-])c1ccc(Nc2cccc3cccnc23)c([N+](=O)[O-])c1 3880024 ZMNRNLSCJMSJSD-UHFFFAOYSA-N 310.269 3.795 5 50 DHBA Nc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)oc1ccccc12 108228 AAGHYTBANACXDE-UHFFFAOYSA-N 323.739 3.639 5 50 DHBA O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4001963 DKZNCUMADHGTIW-UHFFFAOYSA-N 307.693 3.769 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NCc1ccc(SC)cc1 263411 OZZISYVLOSCKMR-UHFFFAOYSA-N 304.371 3.937 5 50 DHBA O=C(Cc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 466876 JQYNILJOANXEJJ-UHFFFAOYSA-N 305.717 3.534 5 50 DHBA CC[C@H](C)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2CC)cc1 812289 ZWVAZLLSAFCBGW-NSHDSACASA-N 316.361 3.577 5 50 DHBA O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)C(Cl)(Cl)Cl 261507243 GTYDQHHAZHCNIW-UHFFFAOYSA-N 307.520 3.629 5 50 DHBA CC[C@@H](C)C[C@H](CO)Nc1ccnc2c1ccc1cccnc12 2325853225 ISDYJBIRHMNGPG-UKRRQHHQSA-N 309.413 3.992 5 50 DHBA Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 466628 TZPDXCWAGFMALI-CYBMUJFWSA-N 314.341 3.618 5 50 DHBA CCOc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 3892480 IRQJJCVGXKXNGI-UHFFFAOYSA-N 311.293 3.767 5 50 DHBA CCOc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12 4857128 ACPZWFXITZCSCS-UHFFFAOYSA-N 311.293 3.767 5 50 DHBA O=C(Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 303120 MEUBFGHIJOAHMV-UHFFFAOYSA-N 308.696 3.569 5 50 DHBA C[C@@H](C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 472047 LWVFIFVLSBRVKD-SNVBAGLBSA-N 304.733 3.990 5 50 DHBA O=[N+]([O-])c1ccc(OCCCOc2cccc3cccnc23)cc1 2985864 MVOODWZBZSCQRQ-UHFFFAOYSA-N 324.336 3.991 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N(C)C)cc1 2173687 JOWFCKJHMMMXPI-UHFFFAOYSA-N 314.345 3.613 5 50 DHBA CC(=O)c1ccc(N[C@@H](C)c2ccncc2F)c([N+](=O)[O-])c1 253398684 ZQLHBSFMCQOPQG-VIFPVBQESA-N 303.293 3.505 5 50 DHBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1 276087 WEZRMEMSZUYWCE-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA COc1cc(CNc2ccccc2SC)cc([N+](=O)[O-])c1O 35335425 IMUUFNRCQIPHQH-UHFFFAOYSA-N 320.370 3.643 5 50 DHBA O=C(NCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2983157 XLOGHENHNSKHQM-UHFFFAOYSA-N 318.760 3.611 5 50 DHBA Cc1nc([N+](=O)[O-])c(Cc2ccccc2)n1Cc1ccccc1 3129733 ADFZEOWUHPVTGW-UHFFFAOYSA-N 307.353 3.739 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2o1 123959012 IATDWZOIXOXJAT-UHFFFAOYSA-N 324.336 3.622 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1 1779479 DPVPHYOPLSXYTF-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA Cc1ccccc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 613697 MGTYSVHBOZWBRZ-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4695589 AILQSURPWMQDSL-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA COC(=O)c1cc(-c2ccc(SC)cc2)cc([N+](=O)[O-])c1 97757141 KSXRLKHSGUHBOW-UHFFFAOYSA-N 303.339 3.770 5 50 DHBA Nc1ccc([N+](=O)[O-])c(NCc2ccc(-c3ccncc3)cc2)c1 328586307 XAJZHMZYQYSYCJ-UHFFFAOYSA-N 320.352 3.851 5 50 DHBA CC1CCN(c2cc(Br)c([N+](=O)[O-])cc2F)CC1 4035907 ZIYRGYNGBJITHY-UHFFFAOYSA-N 317.158 3.733 5 50 DHBA O=[N+]([O-])c1cc(Br)ccc1N1CCCC(F)(F)C1 169725428 PLDKGDDSSLGICH-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCc2ccccc21 474163 SKZVUPSIULFPNA-UHFFFAOYSA-N 316.744 3.841 5 50 DHBA CC[C@](O)(c1ccccc1)[C@H](Cc1ccccc1)C[N+](C)(C)[O-] 71767248 XXKGQKYISFNEFI-UXHICEINSA-N 313.441 3.717 5 50 DHBA O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 60019 SKFWVMBASUXCIP-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 2972604 KQGCPRUACZTWSS-UHFFFAOYSA-N 318.304 3.775 5 50 DHBA Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 4902771 AOCNFZNMHJOQLK-WEVVVXLNSA-N 300.289 3.694 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)N(O)c1cccc(Cl)c1 188384 LARVQZTZFWWVNN-UHFFFAOYSA-N 307.693 3.676 5 50 DHBA CCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N=C1O 15016456 FRSXDOOBAMHRLV-XFFZJAGNSA-N 324.383 3.713 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 290689 FRNJZOFYEXIXLC-XCVCLJGOSA-N 302.717 3.900 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 580725 RYCFMVPDZIFTKT-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA C[C@H]1C[C@@H](C)CN(CCCCOc2ccccc2[N+](=O)[O-])C1 2825320 USZVBVQZZIMENQ-GASCZTMLSA-N 306.406 3.732 5 50 DHBA O=[N+]([O-])c1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)nc2)cc1 2865150 SYARVPVDFNQZBF-UHFFFAOYSA-N 322.280 3.627 5 50 DHBA Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 4837796 BSGOHBWABRUBQI-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 290727 AMUHZWDUEVMDED-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 612656 QHNCEZUXGPHPKB-QGZVFWFLSA-N 323.352 3.683 5 50 DHBA O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1Cl 4814484 VICTVOOVRRKYHC-UHFFFAOYSA-N 312.659 3.779 5 50 DHBA O=[N+]([O-])c1cccc(NCc2ccc(Br)cc2)c1 4838753 FDHZGLKATWTLDU-UHFFFAOYSA-N 307.147 3.969 5 50 DHBA CC1(C)N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[N@]21 1857525286 ZURRJBURTJNBNL-SQGPQFPESA-N 307.353 3.559 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC1=CCCCC1 469114 RNLYKYLWVLNGRN-MDZDMXLPSA-N 300.358 3.615 5 50 DHBA Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 174883 DVJDZLANQYACDV-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA O=[N+]([O-])c1c(N2CCC[C@]3(CC=CCC3)C2)nc2sccn12 170626880 DTJIYBDNSFQYBV-OAHLLOKOSA-N 318.402 3.631 5 50 DHBA COc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1OC 2170720 QLDDGJFDFPGVGP-UHFFFAOYSA-N 302.330 3.533 5 50 DHBA CCCCNc1cc(OCC)c(Br)cc1[N+](=O)[O-] 65336900 RIJGVEMBLMAOLV-UHFFFAOYSA-N 317.183 3.968 5 50 DHBA in-vitro C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 307199 WHOXNVSBKRZVLF-SNVBAGLBSA-N 304.733 3.739 5 50 DHBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 2880107 AGIQQOCFZJFULC-UHFFFAOYSA-N 309.680 3.744 5 50 DHBA O=Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12 313796 RZYSYAIQDLKLNG-UHFFFAOYSA-N 321.288 3.780 5 50 DHBA CCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5094541 PIZFTHLNBRGZMO-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 271898 VDTSYXSLPINNCH-UHFFFAOYSA-N 318.760 3.911 5 50 DHBA Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 4867947 IQOQBRNPDNYNGO-UHFFFAOYSA-N 314.341 3.943 5 50 DHBA CC(=O)n1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21 179117 SBCPJDYYYZZJKX-UHFFFAOYSA-N 305.293 3.911 5 50 DHBA O=C(NCc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 4869359 FZAGSZXRHOWLGD-UHFFFAOYSA-N 322.320 3.785 5 50 DHBA Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 5060179 KTTMEKBODYDJIB-UHFFFAOYSA-N 311.341 3.888 5 50 DHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F 288028 VRBCYMUOYNFGMZ-UHFFFAOYSA-N 317.301 3.596 5 50 DHBA COc1ccc(C)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 475806 ZMGOUZSMCOXTOF-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 4520402 MAIPNGKCZNLSRR-LKBWSCCASA-N 318.373 3.523 5 50 DHBA Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 4042998 BPHDYCFRGIORSA-UHFFFAOYSA-N 314.341 3.538 5 50 DHBA CN(CC(F)F)C(=O)c1cc2ccccc2c2cccnc12 225541657 DPURGLCANBUMNL-UHFFFAOYSA-N 300.308 3.725 5 50 DHBA COc1cc(CNc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC 293089 UKOSDVJVIZSLPJ-UHFFFAOYSA-N 316.357 3.841 5 50 DHBA Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4819512 OJQKESZSXPNXIH-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 75943 KUCUIVBZVXIGHI-UHFFFAOYSA-N 323.757 3.946 5 50 DHBA Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 1000001 SHZRAYQCIPUTGZ-UHFFFAOYSA-N 319.367 3.827 5 50 DHBA COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 180949 UCVASKHGUXFDCL-UHFFFAOYSA-N 324.695 3.648 5 50 DHBA CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 303874 QIATUZHDYZWTCN-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA CCOc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 293826 ANAQSQNDLNZSNG-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA Nc1c(C(=O)c2ccc(Cl)cc2)oc2cc([N+](=O)[O-])ccc12 2581162 DDGLTLBWGQVJNN-UHFFFAOYSA-N 316.700 3.808 5 50 DHBA CCn1c(-c2ccc(NC)c([N+](=O)[O-])c2)nc2cc(C)ccc21 170631117 LADMBEKDVMLIQE-UHFFFAOYSA-N 310.357 3.982 5 50 DHBA COCc1ccccc1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 225817151 QBAKWIGJHWXVNS-UHFFFAOYSA-N 314.341 3.556 5 50 DHBA COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 291678 ORBMGIKZJQYBLC-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 48552517 AQJCSYPKGYPFOF-SECBINFHSA-N 322.162 3.925 5 50 DHBA in-vitro CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)C(C)(C)C)c1 4823032 OXQAJQKHJFNBNU-UHFFFAOYSA-N 321.377 3.564 5 50 DHBA Cc1ccccc1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 240182 ASXWETYJQTVLMW-INIZCTEOSA-N 314.366 3.682 5 50 DHBA CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]1c1cccs1 195335503 QNKGRPUPJCDVDT-NSHDSACASA-N 306.391 3.523 5 50 DHBA COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 94276 DEGJXPWYAZAJST-UXBLZVDNSA-N 312.325 3.564 5 50 DHBA biogenic O=C(Nc1cccc([N+](=O)[O-])c1)c1csc2c1CCCC2 443255 OFIDOFVFYNXVMT-UHFFFAOYSA-N 302.355 3.787 5 50 DHBA O=[N+]([O-])c1cc(F)ccc1CCc1ccc(F)cc1[N+](=O)[O-] 1609481 NRDWMCMPPQKQMY-UHFFFAOYSA-N 308.240 3.566 5 50 DHBA COc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 2906304 WLRSCOICZPFOFM-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA Cc1ncoc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408518366 DGNOIYNLUHFMNC-UHFFFAOYSA-N 301.224 3.522 5 50 DHBA CCOc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 2521013 HASKCLGWNBZICV-UHFFFAOYSA-N 314.341 3.678 5 50 DHBA COc1cnc(-c2ccccc2)nc1Oc1cccc([N+](=O)[O-])c1 1383993 NWQLARYQKCVEID-UHFFFAOYSA-N 323.308 3.853 5 50 DHBA CC(C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 331103 GKZNJNZDURLPRB-UHFFFAOYSA-N 318.304 3.773 5 50 DHBA O=C1CCCC[C@@H]1Oc1ccc2c(c1)oc(=O)c1ccccc12 407866 AEZUAFZMLSMMJD-KRWDZBQOSA-N 308.333 3.837 5 50 DHBA COc1ccc(C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 472007 ZMPHHPZYDBSLJY-GFCCVEGCSA-N 314.341 3.654 5 50 DHBA CC(=O)COc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 1050488 VDIGXAOLPMZXDZ-UHFFFAOYSA-N 322.360 3.793 5 50 DHBA CC1(C)N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[N@@]21 1857525285 ZURRJBURTJNBNL-QKLQHJQFSA-N 307.353 3.559 5 50 DHBA O=C(OCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 2861741 VQRYGCKLYGPTQV-UHFFFAOYSA-N 309.680 3.744 5 50 DHBA CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 60942 BJMWPTDBEYYZEA-UHFFFAOYSA-N 313.309 3.715 5 50 DHBA O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3Cl)n2)c1 443422 QYRVJIZEWPYLDY-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA in-vitro COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(C)cc1 4894401 GAOUVYBBENZJPJ-JXMROGBWSA-N 312.325 3.564 5 50 DHBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2s1 310197 CBIRHQBQOSDSFG-UHFFFAOYSA-N 324.317 3.978 5 50 DHBA O=[N+]([O-])c1ccc(COc2ccc(Br)cc2)cc1 471333 DNUWJQWWGBYZDF-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA O=C(N[C@H]1CCCc2occc21)c1c(Cl)cccc1[N+](=O)[O-] 110312832 YRGAEVDKZJCBTB-NSHDSACASA-N 320.732 3.649 5 50 DHBA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4903701 YUBGKNXEWDCIAM-SNVBAGLBSA-N 320.732 3.654 5 50 DHBA O=[N+]([O-])c1ccc(Br)cc1N1CCC(F)(F)CC1 169725420 GXEQXXGABKFYPD-UHFFFAOYSA-N 321.121 3.593 5 50 DHBA CCn1cc(NCc2cc(=O)oc3ccc4ccccc4c23)cn1 170079590 OURBUSOMYVXJRV-UHFFFAOYSA-N 319.364 3.775 5 50 DHBA Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2ncc[nH]2)CC1 170606587 YIIVNEXNQLBUJT-UHFFFAOYSA-N 320.780 3.664 5 50 DHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 453503 SAZIHRHHQSNOPA-UHFFFAOYSA-N 320.345 3.606 5 50 DHBA O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12 95596639 CDQUJZKBRAFWNG-UHFFFAOYSA-N 308.656 3.667 5 50 DHBA in-vitro O=[N+]([O-])c1cc(Cl)c(Cl)cc1I 96024837 RNUAKXBFFAYDRV-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 436556 LFOGCDTZGIUYBA-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H]2CCCCC=C[C@@H]21 4546513 VSOZXAHPNMJONZ-OFQRWUPVSA-N 300.358 3.834 5 50 DHBA O=[N+]([O-])c1ccc2cnn(-c3cccc(C(F)(F)F)c3)c2c1 91586 PTBMBTPBRSSVLG-UHFFFAOYSA-N 307.231 3.953 5 50 DHBA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4902416 WKAWXRIUKQNKJT-INIZCTEOSA-N 314.341 3.699 5 50 DHBA Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2n1 192619 BUTWOAHGUMELHO-UHFFFAOYSA-N 322.320 3.979 5 50 DHBA O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 437972 YPHKEMZEYMQDDR-UHFFFAOYSA-N 318.288 3.549 5 50 DHBA CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252680258 YCAMYGWYWHIESJ-BRWVUGGUSA-N 318.417 3.620 5 50 DHBA CCCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 253392840 XKLSIGMASSLLOM-AWEZNQCLSA-N 310.369 3.515 5 50 DHBA Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl 318634 IFVYCHVYMFGWPD-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA C[C@@H](C(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 471789 QCPYRJZVUNOBAE-CYBMUJFWSA-N 310.353 3.678 5 50 DHBA Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Br)cc1 5660130 FWPQHNOYYZCZDF-UHFFFAOYSA-N 308.135 3.683 5 50 DHBA C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncc[nH]1 139889504 NFCVHHMSTPEARK-SSDOTTSWSA-N 300.240 3.510 5 50 DHBA O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)CCC3 107463 CLSSEEVUVMQMPC-AWEZNQCLSA-N 308.337 3.558 5 50 DHBA O=C(Nc1ccccc1Br)c1ccccc1[N+](=O)[O-] 293732 MJHAEGSFZZCGQI-UHFFFAOYSA-N 321.130 3.610 5 50 DHBA CCOc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 466944 VXJPAYBXOWNGNA-UHFFFAOYSA-N 311.297 3.711 5 50 DHBA C[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 5672031 IKRRTWDNMOZMKI-LBPRGKRZSA-N 300.314 3.582 5 50 DHBA CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 272164 TZWSHWFJNRVLJU-UHFFFAOYSA-N 304.733 3.520 5 50 DHBA CCn1c(=O)c([N+](=O)[O-])c(NC2CCCCC2)c2ccccc21 4310909 GVSFIONYMBOJPG-UHFFFAOYSA-N 315.373 3.674 5 50 DHBA O=[N+]([O-])c1cc(Br)c(F)cc1NC1CCCC1 85477095 BLQQQCGCZYHGCT-UHFFFAOYSA-N 303.131 3.851 5 50 DHBA in-vitro CCOc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 43905 OZZXPKLIBLEFKT-IZZDOVSWSA-N 312.325 3.645 5 50 DHBA O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 3059030 RHFGBYHJOWMZHY-UHFFFAOYSA-N 316.298 3.531 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2cc[nH]c2c1 408515341 KGVZAQLRTVFQNT-UHFFFAOYSA-N 309.325 3.661 5 50 DHBA O=C(c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 2566802 LMPHOJDMACTBKY-UHFFFAOYSA-N 306.115 3.588 5 50 DHBA Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 11400252 WIXNJJFCDWTQFI-UHFFFAOYSA-N 316.382 3.942 5 50 DHBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1Cl)CCC2 252441198 JYPFMETULURRPP-NQYLQCIDSA-N 322.856 3.906 5 50 DHBA biogenic CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]1c1cccs1 195335493 QNKGRPUPJCDVDT-LLVKDONJSA-N 306.391 3.523 5 50 DHBA CC[C@](C)(NCc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 174502350 QIXDKOIXSQTRSD-HNNXBMFYSA-N 305.403 3.775 5 50 DHBA COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 145297 IAVWSMUOGUUMKP-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)c1ccccc1 319161 XUOYCWOAVHYVOD-LBPRGKRZSA-N 314.341 3.736 5 50 DHBA CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC 17053146 LWVUQTLXGKCFRY-UHFFFAOYSA-N 315.329 3.810 5 50 DHBA Cc1noc([N+](=O)[O-])c1C=Cc1c(C)nn(-c2ccccc2)c1C 1857666599 FYCDWZCJJBVSQK-UHFFFAOYSA-N 324.340 3.864 5 50 DHBA CC[C@H](C)[C@H](C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 394464 WSWDKMFWJOALEW-YJBOKZPZSA-N 304.454 3.598 5 50 DHBA in-man O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 463954 IMWQSTGYMOOOIG-BJMVGYQFSA-N 302.717 3.900 5 50 DHBA N=c1oc2ccc3ccccc3c2cc1C(=O)NCc1ccco1 17054531 OJBFOYIHTQALAP-UHFFFAOYSA-N 318.332 3.588 5 50 DHBA O=C(Oc1ccccc1Br)c1cccc([N+](=O)[O-])c1 287715 XJQDEHRKNWESPO-UHFFFAOYSA-N 322.114 3.577 5 50 DHBA CCCCc1ccccc1NC(=O)c1n[nH]c([N+](=O)[O-])c1Cl 5615485 QZPVTKWLGHTAFV-UHFFFAOYSA-N 322.752 3.566 5 50 DHBA Cc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 133302 BVMVBOQJMOVYKV-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA Cc1ccc(C(=O)NCCSC2CCCCC2)cc1[N+](=O)[O-] 2814943 CMTPLAYBZDDPRH-UHFFFAOYSA-N 322.430 3.699 5 50 DHBA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4040204 GCAODBKBYBDHOH-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA CCn1cc(-c2nnc3c4ccccc4c4ccccc4n23)cn1 32593273 RTRYBGONJTXYFR-UHFFFAOYSA-N 313.364 3.919 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)C)cc1 476625 KCWUUJYEAZPJJP-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5023505 UFTPZDQTJNNRCE-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA CN1/C(=C\N=O)N(CCCCCC[N+](C)(C)C)c2ccccc21 208027041 MPKDBOGHKOYXKP-OBGWFSINSA-N 317.457 3.775 5 50 DHBA CC1(C)[C@H]2CC[C@@H](C2)[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 245328196 TXIQBHGJBMGFNT-KCQAQPDRSA-N 303.358 3.824 5 50 DHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc2c1CCCC2 355497 KJPFMQRIFJZBAJ-UHFFFAOYSA-N 320.345 3.927 5 50 DHBA CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 442284 JUCOTVVEGUEDRE-UHFFFAOYSA-N 319.748 3.567 5 50 DHBA CCCc1cc(=O)[nH]c(/C(=C/c2ccc([N+](=O)[O-])s2)CC)n1 193615979 ROKHVQWCGZSFIC-CSKARUKUSA-N 319.386 3.643 5 50 DHBA Cc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 461520 UYHDGJOGXDPSGG-UHFFFAOYSA-N 318.760 3.529 5 50 DHBA COc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2170550 LMIUFYSCIBRPIA-VOTSOKGWSA-N 300.270 3.682 5 50 DHBA O=[N+]([O-])c1ccc(Oc2ncnc(C(F)(F)F)c2Cl)cc1 261494732 BFMNPIDVRWOQIQ-UHFFFAOYSA-N 319.626 3.849 5 50 DHBA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1Br 264388 DURYXFBIUHGLMF-UHFFFAOYSA-N 316.542 3.505 5 50 DHBA CC(C)(C)SCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2980383 VCNPNAJKLIJAIQ-UHFFFAOYSA-N 316.810 3.510 5 50 DHBA O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1 619267 SGEYIPDWSAWYMX-UHFFFAOYSA-N 313.356 3.563 5 50 DHBA CCC1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 3998546 AJMSVPUOSMJZIT-UHFFFAOYSA-N 317.433 3.686 5 50 DHBA CC[C@@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1 2041203 UPPMZCXMQRVMME-AEFFLSMTSA-N 306.470 3.846 5 50 DHBA in-man COc1ccc(NC(=O)/C(C)=C\c2ccccc2)c([N+](=O)[O-])c1 4675801 HXMLHTMRMCGHHY-BENRWUELSA-N 312.325 3.645 5 50 DHBA Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 302722316 MUWGUAOYBORSBI-LLVKDONJSA-N 317.311 3.713 5 50 DHBA COc1ccc(COc2cc(F)c([N+](=O)[O-])c(F)c2F)cc1 936069368 KBPMMVZDDGCZLR-UHFFFAOYSA-N 313.231 3.600 5 50 DHBA CC[C@@](O)(c1ccccc1)[C@@H](Cc1ccccc1)C[N+](C)(C)[O-] 71767245 XXKGQKYISFNEFI-VQTJNVASSA-N 313.441 3.717 5 50 DHBA COc1c(NC(=O)Nc2ccccc2C)cccc1[N+](=O)[O-] 1732587 UPWKFCWPTVUYEY-UHFFFAOYSA-N 301.302 3.556 5 50 DHBA Cc1ccc([C@H](C)c2c(C)c([N+](=O)[O-])cc(C)c2[N+](=O)[O-])cn1 4713636 MJPYHZZWNGRGOF-NSHDSACASA-N 315.329 3.975 5 50 DHBA CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4800838 DYDWUMGRRHECEW-UHFFFAOYSA-N 319.748 3.912 5 50 DHBA Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2O)n1 17122591 GAJAMGZKPCFNHN-UHFFFAOYSA-N 322.324 3.809 5 50 DHBA CCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 63827 MEBAPMZAOFKITP-ZHACJKMWSA-N 312.325 3.645 5 50 DHBA CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 442652 FQHGFGQYIYFIRM-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 102930 STKKMNFIZQOHLQ-UHFFFAOYSA-N 313.338 3.765 5 50 DHBA Cc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 256225 YXQAZZBQYRAKRQ-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=C1CCCC[C@H]1Oc1ccc2c(c1)oc(=O)c1ccccc12 407867 AEZUAFZMLSMMJD-QGZVFWFLSA-N 308.333 3.837 5 50 DHBA CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 467109 AEBZRWVTZQIYSW-UHFFFAOYSA-N 311.297 3.711 5 50 DHBA Cc1ccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 469199 VPZZNUXIFOMHOW-UHFFFAOYSA-N 316.382 3.775 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1 4426494 ZDDIBMSBSJZQJZ-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA O=[N+]([O-])c1c(N2CCC[C@@]3(CC=CCC3)C2)nc2sccn12 170626879 DTJIYBDNSFQYBV-HNNXBMFYSA-N 318.402 3.631 5 50 DHBA COc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102868 UESZQUOYTFDLOB-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 461976 WHZYPOAJRFIAQO-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA Cc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1 468376 MPIDFDKCGQBSBK-UHFFFAOYSA-N 301.780 3.700 5 50 DHBA O=[N+]([O-])c1ccc(Cl)c(CN2CCc3ccccc3C2)c1 19537656 HMGBGNSVQQIZEV-UHFFFAOYSA-N 302.761 3.807 5 50 DHBA Cc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1[N+](=O)[O-] 464963 ZQYSJDGFJUBACZ-AWEZNQCLSA-N 312.369 3.654 5 50 DHBA CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 136971 MXDUEZIXWDLVNB-UHFFFAOYSA-N 313.357 3.693 5 50 DHBA CN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 300519 KAQVSHXFXLHYHB-UHFFFAOYSA-N 304.733 3.520 5 50 DHBA C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 463637 DUKYUTFWQHDVJZ-BUYIWHAFSA-N 324.380 3.746 5 50 DHBA O=C(NCc1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17032374 ONXCZCHAKGMVLD-UHFFFAOYSA-N 311.750 3.631 5 50 DHBA CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3[N+](=O)[O-])n21 73330 UFRKHATYXVKTCI-UHFFFAOYSA-N 320.352 3.812 5 50 DHBA CC[C@@H](C)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2CC)cc1 812288 ZWVAZLLSAFCBGW-LLVKDONJSA-N 316.361 3.577 5 50 DHBA Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc([N+](=O)[O-])cc1 6200335 WIUQMSGQMYMHGV-UHFFFAOYSA-N 313.265 3.508 5 50 DHBA O=[N+]([O-])c1cc(/C=C2/SC(=S)N=C2O)ccc1Cl 2536892 NBYJQRLZAULILW-XBXARRHUSA-N 300.748 3.577 5 50 DHBA Cc1ccc(OCCCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 2824005 NDESNAGGEMBXFS-OAHLLOKOSA-N 306.406 3.794 5 50 DHBA COC(=O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1 523028 JZXUZOILBPADIH-UHFFFAOYSA-N 321.716 3.614 5 50 DHBA O=[N+]([O-])c1cc(Cl)cnc1N[C@H](c1cccnc1)C1CC1 340075985 IZYDSNJYFCUTNJ-ZDUSSCGKSA-N 304.737 3.601 5 50 DHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 63816 ASWCHXLMADGNSY-CMDGGOBGSA-N 302.717 3.900 5 50 DHBA CC[C@H](C)[C@@H](C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 394466 WSWDKMFWJOALEW-MAUKXSAKSA-N 304.454 3.598 5 50 DHBA in-man Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O 349185 YWUQPKZBIOCLSK-UHFFFAOYSA-N 306.705 3.515 5 50 DHBA O=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 4099831 OWOOITRODDADAJ-UHFFFAOYSA-N 300.314 3.658 5 50 DHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCc2ccccc21 17032267 RZESMGDYEHFPAR-UHFFFAOYSA-N 311.341 3.888 5 50 DHBA O=[N+]([O-])c1ccc(-c2cn3cc(Br)ccc3n2)cc1 296701 AADWKSKCFXJLFW-UHFFFAOYSA-N 318.130 3.672 5 50 DHBA CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 17030761 GQZHGJYTICWIDU-CYBMUJFWSA-N 302.305 3.866 5 50 DHBA O=C(Cc1ccccc1)OCc1cc([N+](=O)[O-])ccc1Cl 135807 RTEURPYXGYUFOP-UHFFFAOYSA-N 305.717 3.534 5 50 DHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 438113 FRCCULLTQVUSMR-UHFFFAOYSA-N 308.696 3.569 5 50 DHBA CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 170618994 RZSHNDZOLPDEBE-KRWDZBQOSA-N 323.352 3.683 5 50 DHBA CCOc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 4611080 SUSZUEBFANLQGO-UHFFFAOYSA-N 314.341 3.565 5 50 DHBA CCOc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102874 LZMCIEAIAZLMDN-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA Cc1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 2822993 XPZZFZKVWWOQPU-GJZGRUSLSA-N 306.406 3.650 5 50 DHBA CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 310858 DDAMLLRZBXZMQN-UHFFFAOYSA-N 314.341 3.863 5 50 DHBA O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17056734 LIGGWNBBFOWARI-UHFFFAOYSA-N 323.711 3.709 5 50 DHBA CCOc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1 355386 BAMAECSJJLGKEP-UHFFFAOYSA-N 302.330 3.614 5 50 DHBA Cc1cc(C(=O)Oc2cccc3cccnc23)ccc1[N+](=O)[O-] 63217 IIESMOAWNGAGNK-UHFFFAOYSA-N 308.293 3.671 5 50 DHBA CSc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 315971 OWNGPFQHSHGTAV-UHFFFAOYSA-N 302.355 3.877 5 50 DHBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 103122 PWWIYYWUBQXWNM-UHFFFAOYSA-N 304.733 3.915 5 50 DHBA Cc1cccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 378249 KJMMRLDLGFRCHQ-UHFFFAOYSA-N 322.324 3.546 5 50 DHBA O=[N+]([O-])c1ccc(OCc2ccc(Br)cc2)cc1 472202 LVUNOQMMKUYJQA-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 2485611 GRRPSCBOSVBVOW-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 5527213 IFTKKAQLGWQRQK-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA O=[N+]([O-])c1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 68563166 OUXDWRIVHNBVLH-SNAWJCMRSA-N 315.241 3.582 5 50 DHBA O=C(CCCc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 4901877 DOGOHRAZQDFKDX-UHFFFAOYSA-N 302.305 3.695 5 50 DHBA O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1)OCc1ccccc1 261494142 QURUKQNWSNPMCT-UHFFFAOYSA-N 306.705 3.997 5 50 DHBA CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 4754436 QOTHRWJWXMHTBV-CQSZACIVSA-N 314.341 3.736 5 50 DHBA COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 103045 UEXGGYVWPMRYSL-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(F)cc1 4689057 VESNGBLGBRBNQQ-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA O=C(CCNc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 472424 XGQNMAZWHDDYGH-UHFFFAOYSA-N 304.733 3.933 5 50 DHBA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 4614095 ALYAWQALYGPCMJ-UHFFFAOYSA-N 323.308 3.811 5 50 DHBA C[C@H](C(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 471788 QCPYRJZVUNOBAE-ZDUSSCGKSA-N 310.353 3.678 5 50 DHBA CC1(C)C[C@]2(O[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21 1744783 IDDOVPNRRHNRRQ-HKUYNNGSSA-N 323.348 3.969 5 50 DHBA CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 449443 GSRKUHONOLYWBW-QGZVFWFLSA-N 323.352 3.683 5 50 DHBA O=[N+]([O-])c1cc(SC(F)(F)F)cc(Br)c1O 91252812 ODVLQVBOWZANKL-UHFFFAOYSA-N 318.070 3.675 5 50 DHBA in-vitro C[C@@H](C(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 472129 YGMPHWPJWNDBBB-CYBMUJFWSA-N 302.374 3.705 5 50 DHBA O=C(O)[C@H](Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1396309 ALPNDDLVTGIILM-CQSZACIVSA-N 305.717 3.659 5 50 DHBA COc1cc(CNc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 4685539 GCLSFAKJAWZKOQ-UHFFFAOYSA-N 302.330 3.533 5 50 DHBA CCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)c([N+](=O)[O-])c1 4892521 YGKPNLSLBQBBJB-VQHVLOKHSA-N 316.313 3.547 5 50 DHBA Cc1ccc(OCCCN2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 2822992 XPZZFZKVWWOQPU-GASCZTMLSA-N 306.406 3.650 5 50 DHBA O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 4005682 VKARCXAIYFAJCV-UHFFFAOYSA-N 310.269 3.560 5 50 DHBA O=[N+]([O-])c1cccc(N[S@](=O)C23CC4CC(CC(C4)C2)C3)c1 4653959 NIOORYSMSMLENJ-DMLRMIBCSA-N 320.414 3.639 5 50 DHBA COc1ccc(NC(=O)CCC2CCCCC2)c([N+](=O)[O-])c1 4702884 JHRIHGBPTZTHOZ-UHFFFAOYSA-N 306.362 3.902 5 50 DHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F 4995609 ZTEBASDSGYAZBM-UHFFFAOYSA-N 310.231 3.866 5 50 DHBA CC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12 100636527 XVSLXAPRGNLYEX-UHFFFAOYSA-N 324.380 3.888 5 50 DHBA aggregator CCOc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 376230 JINDTBMDNAQQQJ-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 473679 YXLQBLMDZVNSOA-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCC1CCCCC1 6126948 NQIBCCMVMDQIEX-UHFFFAOYSA-N 306.362 3.902 5 50 DHBA CC[C@H](C)C[C@@H](CO)Nc1ccnc2c1ccc1cccnc12 2325853226 ISDYJBIRHMNGPG-ZFWWWQNUSA-N 309.413 3.992 5 50 DHBA CCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 2299539 LJRBSJNTYPFZOI-UHFFFAOYSA-N 323.352 3.637 5 50 DHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O 566939 IBYMMZRSUPQKJQ-UHFFFAOYSA-N 323.304 3.811 5 50 DHBA O=[N+]([O-])c1ccccc1Sc1nccn1Cc1ccccc1 8310913 ZAXZXIBBEKHDIK-UHFFFAOYSA-N 311.366 3.991 5 50 DHBA O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 614327 AZCMKTCWZNIFDC-UHFFFAOYSA-N 306.536 3.800 5 50 DHBA CCOc1ccc(OCCCOc2ccccc2[N+](=O)[O-])cc1 2983888 CEFDXELNLQTWOY-UHFFFAOYSA-N 317.341 3.841 5 50 DHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 472699 BSGJQHFYOYIGSK-DHZHZOJOSA-N 300.358 3.615 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 437084 NZURYDBPCBVNMW-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA CC(C)CCC[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2989907 HPWWYKDCDRVFNW-PLSXKVAHSA-N 304.390 3.939 5 50 DHBA COc1cccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5060939 BUUFVSFXNGOCHG-UHFFFAOYSA-N 301.302 3.556 5 50 DHBA Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] 73798 FXPSYSLKOGMHGF-ZDUSSCGKSA-N 312.369 3.654 5 50 DHBA Cc1ccc(OCCCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 2824007 NDESNAGGEMBXFS-HNNXBMFYSA-N 306.406 3.794 5 50 DHBA CC[C@H](C)C[C@H](CO)Nc1ccnc2c1ccc1cccnc12 2325853223 ISDYJBIRHMNGPG-DZGCQCFKSA-N 309.413 3.992 5 50 DHBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 149029 WQRQAAQBWATKQO-UHFFFAOYSA-N 315.310 3.564 5 50 DHBA O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1 36719647 IJAMXMAVDDCHHD-UHFFFAOYSA-N 308.131 3.936 5 50 DHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl 614954 ZNJRPWNRXRSQPD-UHFFFAOYSA-N 322.723 3.877 5 50 DHBA Cc1ccc(NC(=O)CSc2ccccc2)cc1[N+](=O)[O-] 2853155 WUHWKDDDOAPKGM-UHFFFAOYSA-N 302.355 3.634 5 50 DHBA O=[N+]([O-])c1ccccc1NC1CCN(Cc2ccccc2)CC1 4347634 YZKQBUWNKRTZQC-UHFFFAOYSA-N 311.385 3.671 5 50 DHBA O=C(Oc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 2156337 RXULDVIRCGTXET-UHFFFAOYSA-N 311.215 3.833 5 50 DHBA CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 457199 GVYXJXMLDJTSMI-CYBMUJFWSA-N 302.305 3.866 5 50 DHBA c1cc2c(cnc3c4cc5c(cc4ccc23)OCO5)c2c1OCO2 1727527 CNXVDVMAYXLWPD-UHFFFAOYSA-N 317.300 3.999 5 50 DHBA endogenous,in-man O=Cc1cc(C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1O 34766245 ZIQCUOXEFLMCES-UHFFFAOYSA-N 301.342 3.581 5 50 DHBA COc1ccc(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cc1 4528855 SDHUJHXSBGFHKB-VAWYXSNFSA-N 312.325 3.645 5 50 DHBA COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2C)c1 4309391 QITGCGNZEURVBM-UHFFFAOYSA-N 302.330 3.533 5 50 DHBA CC1(C)CC(NSc2ccccc2[N+](=O)[O-])CC(C)(C)N1 307231 NSGSBJUYBXVVDF-UHFFFAOYSA-N 309.435 3.501 5 50 DHBA Cc1ccc(NC(=S)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 4999064 MWVMSVNLCVSGBP-UHFFFAOYSA-N 323.324 3.990 5 50 DHBA COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)c1 4850592 SAWKJMHVGPVYJJ-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)c1 4839799 BLIPRIKSGNCHIT-UHFFFAOYSA-N 311.297 3.629 5 50 DHBA Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 457268 CWLRIFUBURMJBM-UHFFFAOYSA-N 304.733 3.738 5 50 DHBA CSc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 459979 WGOQPEJHQNLXHL-CMDGGOBGSA-N 314.366 3.969 5 50 DHBA CNc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 4759431 VEWLCNKLWCZJEB-UHFFFAOYSA-N 320.732 3.647 5 50 DHBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccco1 4104321 AGHBTMRECPMHRT-UHFFFAOYSA-N 301.346 3.790 5 50 DHBA O=C(CCSc1ccccc1)Nc1cccc([N+](=O)[O-])c1 468916 ZKLQIGKKKCFBLQ-UHFFFAOYSA-N 302.355 3.716 5 50 DHBA CCOc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1Cl 2868454 PAURHNCCPXTFJZ-UHFFFAOYSA-N 321.716 3.866 5 50 DHBA CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4652468 CFSWNFYJKIPJHL-UHFFFAOYSA-N 320.732 3.899 5 50 DHBA O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1 432994 PLDWJPVRNTVCSH-UHFFFAOYSA-N 301.689 3.965 5 50 DHBA O=C(NCCC1=CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 441732 YNDMIHODAMPJMP-UHFFFAOYSA-N 308.765 3.869 5 50 DHBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 449259 CJBXPBYCXIIMMM-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Cl)cc1 6276746 GFPSYJINFZDBPU-UHFFFAOYSA-N 321.789 3.735 5 50 DHBA O=C(CSc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1 305526 WCUZKNWJKCPWMA-UHFFFAOYSA-N 322.773 3.979 5 50 DHBA COc1c(NC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] 1732585 JTFMQBYUUQXRHO-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA CCC[N+](C)(CCC)C[C@@H](O)COc1ccc2ccccc2c1 1995074 PMMQEZIYHOQAOC-LJQANCHMSA-N 316.465 3.846 5 50 DHBA CCOc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1 4054373 HVWSIKMVMCBTKE-UHFFFAOYSA-N 310.313 3.680 5 50 DHBA CC1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC=CCC1 45069302 NMTNQKDRYYNGNN-UHFFFAOYSA-N 320.301 3.549 5 50 DHBA O=[N+]([O-])c1c(Cl)cc(I)cc1Cl 263622748 ANPCMOALGYULPF-UHFFFAOYSA-N 317.897 3.506 5 50 DHBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1 43191298 JRELMRXUDCTPQI-UHFFFAOYSA-N 301.302 3.638 5 50 DHBA CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 337790 LEDQYPNYEQFFRC-CQSZACIVSA-N 314.341 3.736 5 50 DHBA NC(=O)[C@@H]1CCCN(Cc2c3ccccc3cc3ccccc23)C1 4987357 JQTOJLJEIRRHEG-QGZVFWFLSA-N 318.420 3.690 5 50 DHBA C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 225263629 OICVNFXGQKMRIJ-BLFANLJRSA-N 305.334 3.740 5 50 DHBA COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c(OC)c1 226305298 JVRBRGUOOIENFE-UHFFFAOYSA-N 314.297 3.729 5 50 DHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 252585140 GLKPRRXQYMSHFU-MEDUHNTESA-N 313.313 3.700 5 50 DHBA CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]1c1cccnc1 366110641 JBZXDKFNIYBIEI-ZDUSSCGKSA-N 318.764 3.626 5 50 DHBA C[C@@H]1C[C@@H](C)CN(CCCCOc2ccccc2[N+](=O)[O-])C1 2825321 USZVBVQZZIMENQ-HUUCEWRRSA-N 306.406 3.732 5 50 DHBA COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 246300 POKOZDDDEZCEFN-UHFFFAOYSA-N 307.305 3.988 5 50 DHBA CC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 133514 ZNEFIWVMSBEPKL-UHFFFAOYSA-N 318.716 3.703 5 50 DHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 306075 GKMAYGJHJFIZRT-UHFFFAOYSA-N 322.320 3.766 5 50 DHBA COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 449725 RZYHOCXXLHTGBI-UHFFFAOYSA-N 314.341 3.979 5 50 DHBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])o1 1230688 ZUKZVYOCJDBCLU-UHFFFAOYSA-N 301.085 3.747 5 50 DHBA CN(C)CCCn1c2ccccc2c(=O)c2ccc(Cl)cc21 96026558 BBUFMDKBPBDZMC-UHFFFAOYSA-N 314.816 3.760 5 50 DHBA O=[N+]([O-])c1ccc(CNc2nnc(-c3ccco3)o2)c(Cl)c1 170594120 OZLLTJRRVCFTJT-UHFFFAOYSA-N 320.692 3.503 5 50 DHBA COC(=O)c1ccc(NSc2ccccc2[N+](=O)[O-])cc1 48246 BROHOKDBKPSZNX-UHFFFAOYSA-N 304.327 3.501 5 50 DHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1Cl 1732586 QEFYUBVNNFOTOX-UHFFFAOYSA-N 321.720 3.901 5 50 DHBA CC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 5041265 AUAGGTWELRMUOM-UHFFFAOYSA-N 317.276 3.581 5 50 DHBA Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] 1053587 UBYZGDQODIJXLA-UHFFFAOYSA-N 319.386 3.910 5 50 DHBA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 337664 MPUXXOKZLZYAEJ-SNVBAGLBSA-N 320.732 3.654 5 50 DHBA Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] 296247 HFQYWKPVHJOEKZ-UHFFFAOYSA-N 308.696 3.948 5 50 DHBA CC[C@@H](C)[C@@H](C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 394465 WSWDKMFWJOALEW-CRAIPNDOSA-N 304.454 3.598 5 50 DHBA in-man CC(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 858472 WNFHEGJXXRKRIO-UHFFFAOYSA-N 314.341 3.736 5 50 DHBA Cc1ccc(NC(=O)CCCOc2ccccc2)c([N+](=O)[O-])c1 4985792 KEXUIMWLJWYIQB-UHFFFAOYSA-N 314.341 3.701 5 50 DHBA CCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br 65336895 HXTPJLMWDWBTNX-UHFFFAOYSA-N 317.183 3.966 5 50 DHBA in-vitro CCc1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2F)cs1 1875275274 OEURAXIFNQBBGE-SECBINFHSA-N 309.366 3.604 5 50 DHBA CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 311614 MAICFWXWTGMWQH-UHFFFAOYSA-N 300.314 3.554 5 50 DHBA O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccncc2)c2ccncc12 301911079 GHMXEPVRAXZINW-MRXNPFEDSA-N 320.352 3.880 5 50 DHBA Cc1cc(C)nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 8548825 HJVBWMMCJXDKFF-UHFFFAOYSA-N 305.721 3.512 5 50 DHBA O=C(O)[C@@H](Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1396308 ALPNDDLVTGIILM-AWEZNQCLSA-N 305.717 3.659 5 50 DHBA COc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5093697 JMCNPYGVDUQMQC-UHFFFAOYSA-N 320.732 3.818 5 50 DHBA Nc1cc(OCc2ccccc2)c(Br)cc1[N+](=O)[O-] 65336875 DGOWGMXDNNTWKK-UHFFFAOYSA-N 323.146 3.519 5 50 DHBA in-vitro O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1-c1ccccc1 162517 XMVBIQDOMQZCFV-UHFFFAOYSA-N 300.701 3.552 5 50 DHBA COc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4010609 KZRYTHSRUPNQFA-UHFFFAOYSA-N 306.705 3.509 5 50 DHBA COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4751123 ULOYSTJGLOSMCP-UXBLZVDNSA-N 312.325 3.564 5 50 DHBA biogenic O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1cccnc1 4187906 LGDZMDLTVPDYDN-UHFFFAOYSA-N 312.373 3.592 5 50 DHBA Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-] 94151 FTTSSKZSLIDFSO-UHFFFAOYSA-N 320.732 3.574 5 50 DHBA