smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 219038875 QVTFOJXMZBQREU-UHFFFAOYSA-N 354.387 4.562 5 50 FJBA CC(C)=CCOc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 2830506 PZKVUTIZYUUICV-UHFFFAOYSA-N 351.358 4.713 5 50 FJBA Cc1nc2cc(NCc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 1221291 NDFYLZLWZNIHRL-UHFFFAOYSA-N 372.428 4.913 5 50 FJBA O=[N+]([O-])c1ccccc1Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 22064751 JGFHGZQYGOXJHS-UHFFFAOYSA-N 369.384 4.857 5 50 FJBA O=c1c(OCc2ccc([N+](=O)[O-])cc2)c(-c2ccco2)oc2ccccc12 1978253 OPQRDLQILPAADQ-UHFFFAOYSA-N 363.325 4.540 5 50 FJBA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc([N+](=O)[O-])c1 949070 NKSZPPSPIPSTTQ-UHFFFAOYSA-N 365.389 4.680 5 50 FJBA Cc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 1216067 DJBKGYQIFCTNMK-UHFFFAOYSA-N 363.369 4.701 5 50 FJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 11866636 XDCKXQFMERWWFC-UNMCSNQZSA-N 371.396 4.837 5 50 FJBA Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] 1205015 TVQVLOZBKRHWJL-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=c1oc2ccccc2c(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 4980953 KMPUYUUZLQNNFX-UHFFFAOYSA-N 351.145 4.752 5 50 FJBA COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 4868565 NZTMIGAWLSBSME-UHFFFAOYSA-N 362.794 4.724 5 50 FJBA Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 937358 WMGYGAZRJHFSQF-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA COc1ccccc1Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1125174 VMPJBMLVRKSNTC-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1Cl 626394 KVIDUJSCXKNMKS-UHFFFAOYSA-N 350.757 4.819 5 50 FJBA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 935601 MKCCMOGXMOCDRL-OAHLLOKOSA-N 362.385 4.668 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 4913913 XXFQFNFKHCAXOK-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 951446 OJRHUNRKCQPQIM-XMHGGMMESA-N 374.396 4.783 5 50 FJBA CCOc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1079718 QNJHSQRLJRKMNV-UHFFFAOYSA-N 352.346 4.506 5 50 FJBA COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1158539 IUWYATICVNTAOS-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA CCCCc1cc(=O)oc2cc(C)cc(OCc3ccc([N+](=O)[O-])cc3)c12 2811799 IDHQEXURIJABSX-UHFFFAOYSA-N 367.401 4.931 5 50 FJBA Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 672453 MRIOWSSGRZUHQG-SNVBAGLBSA-N 369.204 4.616 5 50 FJBA O=C(NC1CCCCC1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1386996 HKVROWAXTLRSNG-UHFFFAOYSA-N 356.447 4.809 5 50 FJBA COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1)oc1ccccc12 3567019 HCMLFCXEIXWWRQ-UHFFFAOYSA-N 362.341 4.755 5 50 FJBA CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1c1ccc([N+](=O)[O-])cc1 12336359 XEICDQFPQIZZQQ-MRXNPFEDSA-N 360.435 4.539 5 50 FJBA O=C(Nc1cccc2ncccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1065260 SWXZZJMUHFOCQV-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA CCc1ccccc1NC(=O)CCSc1c(Cl)cccc1[N+](=O)[O-] 2850696 WIIIZLKWYNRXFB-UHFFFAOYSA-N 364.854 4.932 5 50 FJBA COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1 4842465 AHWHDYIISLEWEB-UHFFFAOYSA-N 356.765 4.662 5 50 FJBA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1Cc1c(C)[nH]c2ccc([N+](=O)[O-])cc12 1673300 SYCPASCCJWXVJG-UHFFFAOYSA-N 364.361 4.673 5 50 FJBA biogenic Cc1c(NC(=O)CSCc2c(F)cccc2Cl)cccc1[N+](=O)[O-] 2876218 RSTDGMUEELKWDK-UHFFFAOYSA-N 368.817 4.568 5 50 FJBA CCCOc1cc(OCCC)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5093902 JOOTXHYSKITGCN-UHFFFAOYSA-N 372.421 4.733 5 50 FJBA O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)s1 712995 AXBOBMWNRVHLLD-UHFFFAOYSA-N 351.431 4.682 5 50 FJBA O=c1oc2ccccc2c(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 8689984 YWCCYNNFGVQCDY-UHFFFAOYSA-N 372.380 4.903 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1 17015434 SLSRXCKEWXNLDI-UHFFFAOYSA-N 358.357 4.654 5 50 FJBA O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(F)cc3)c2)cc1 1109869 FHPZWLJFACNBRI-UHFFFAOYSA-N 352.365 4.925 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c(Cl)cccc12 4842009 NVEXKYVAQJDNJX-UHFFFAOYSA-N 356.765 4.662 5 50 FJBA Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cccc1[N+](=O)[O-] 1167609 XSAORSQSWMYTKJ-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(C=Cc3ccccc32)CC1 55142029 JCGGYBUHAZGTJW-UHFFFAOYSA-N 354.837 4.809 5 50 FJBA Cc1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1106965 BKUJIMMCOKBORV-PXLXIMEGSA-N 372.424 4.760 5 50 FJBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ccccc2c1 13118645 SCKYLISPOXJRGR-UHFFFAOYSA-N 363.398 4.599 5 50 FJBA aggregator O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 1141123 XZRPGEWBMRZLOJ-UHFFFAOYSA-N 362.838 4.635 5 50 FJBA O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N+](=O)[O-])cc1 1119881 LPKQWJUUBRKCKW-UHFFFAOYSA-N 350.399 4.998 5 50 FJBA Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)ccc1[N+](=O)[O-] 1226957 KXMZPXPLMYWJPG-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 754262 QFERQDPOUWAGHB-UHFFFAOYSA-N 364.376 4.889 5 50 FJBA O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccc([N+](=O)[O-])cc1 1134623 LPKFAAPRMSNJJB-CQSZACIVSA-N 351.189 4.508 5 50 FJBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 5064181 WRKFMXMXBWDPIH-UHFFFAOYSA-N 374.853 4.819 5 50 FJBA CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 2855828 VZCYESFJDZIWAW-UHFFFAOYSA-N 361.829 4.655 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4)N32)cc1 42784427 MMPJPLZUJANSCC-LMKQZBFKSA-N 355.397 4.522 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1CCc1ccccc1 4043729 IEOKNLVFWUUIQW-UHFFFAOYSA-N 360.413 4.941 5 50 FJBA O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c3c(-c4ccc(Cl)cc4)nccc3c2c1 214082833 BHTFEMZSQXNJDG-UHFFFAOYSA-N 368.736 4.853 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 4604057 URUXLKGVROUVEE-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA C[C@@H]1CCCCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 5064942 QJALCYOANNMWLC-CYBMUJFWSA-N 373.840 4.879 5 50 FJBA O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4333149 HPSWYEHTHPHVHK-UHFFFAOYSA-N 373.840 4.881 5 50 FJBA O=[N+]([O-])c1ccc(COc2ccccc2/C=C2/SC(=S)N=C2O)cc1 1213775 GTWYSYXPOWAOTL-OQLLNIDSSA-N 372.427 4.503 5 50 FJBA CCOc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21 2883291 VJXLAVDQPGYAHD-KRWDZBQOSA-N 362.385 4.621 5 50 FJBA Cc1cccc(NC(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1 4998268 XCBBUJIIYVSPHM-UHFFFAOYSA-N 353.422 4.900 5 50 FJBA O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(Br)c1 1406421 MMLNVNYMRCGVAP-UHFFFAOYSA-N 373.000 4.912 5 50 FJBA CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 1112773 COFYNXJCAFHPSL-UHFFFAOYSA-N 373.840 4.737 5 50 FJBA O=[N+]([O-])c1ccccc1Nc1c(Br)cccc1Br 1857775582 PPLTWUJTDGAFEI-UHFFFAOYSA-N 372.016 4.863 5 50 FJBA CCOC(=O)Cc1cc(-c2ccccc2O)nc2ccc3ccccc3c12 662881 ROLQFYCJHDUCHH-UHFFFAOYSA-N 357.409 4.866 5 50 FJBA COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 1166445 NTHRYILAGNLLKT-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA CCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)c([N+](=O)[O-])c1 5028177 KOTGRHMGJQMRGZ-UHFFFAOYSA-N 368.389 4.863 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 4368231 BDVZNXKVGAMAFO-ZDUSSCGKSA-N 362.813 4.579 5 50 FJBA O=[N+]([O-])c1cccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)c1 1122913 QWVZMCQUQXMSAB-UHFFFAOYSA-N 356.385 4.569 5 50 FJBA CC(C)c1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc([N+](=O)[O-])cc2)cc1 17075892 MICMASMUVUELGN-OAHLLOKOSA-N 370.449 4.753 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(-c2ccccc2)s1 1056236 FQMXWVPMVNBUSL-UHFFFAOYSA-N 368.414 4.893 5 50 FJBA Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 1230743 RMVNLDKQQTWBEI-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA CC1=C[C@H](C)[C@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@H](C)C1 4424809 BUAJNOTVFDETEE-VWPQPMDRSA-O 372.577 4.855 5 50 FJBA CC[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)c([N+](=O)[O-])c1 3122436 BXTFSGKMQHFUMN-KBPBESRZSA-N 360.366 4.602 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)c1 1215467 DAPHZLNNINSOHT-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA COc1cc(C)ccc1OCCCCOc1ccc([N+](=O)[O-])cc1Cl 2985098 USHQPTJPRYWTDG-UHFFFAOYSA-N 365.813 4.803 5 50 FJBA O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(O)cc2)cc1 3898216 HJZBLNUORRBHBB-OAQYLSRUSA-N 359.385 4.656 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccccc1[N+](=O)[O-])O[C@@H]1CCCC[C@@H]21 245226487 ZIAKEACEGLRLJF-NVAPDCRFSA-N 369.417 4.758 5 50 FJBA O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1 1220931 NYUKRSVZHHZCOC-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA aggregator CCCc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1 4046016 WUWVECJLYINJNG-UHFFFAOYSA-N 351.406 4.586 5 50 FJBA O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 4833878 LMGJAJQKPCEWEM-UHFFFAOYSA-N 361.810 4.514 5 50 FJBA COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 4765148 KFKOKKZUUHGXQL-QFIPXVFZSA-N 373.412 4.959 5 50 FJBA Oc1ccc2c(c1)oc1c(-c3cccc(OC(F)F)c3)c3cn[nH]c3nc12 218292063 IMFFTVXLSUWSAE-UHFFFAOYSA-N 367.311 4.831 5 50 FJBA O=C(CSc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 1213293 JTQDTEHGQFJJSJ-UHFFFAOYSA-N 357.218 4.632 5 50 FJBA O=C(OCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 1130012 ZAMYDBUDHLIHSV-UHFFFAOYSA-N 360.580 4.912 5 50 FJBA CCOc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 5034926 KQXKFHLPVPNOJO-UHFFFAOYSA-N 352.346 4.506 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1cccc([N+](=O)[O-])c1)O[C@H]1CCCC[C@H]21 15024524 XQYSWHWKNJFTCV-QYWGDWMGSA-N 369.417 4.758 5 50 FJBA COc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 4869331 LREBFWISWSGJAK-UHFFFAOYSA-N 362.794 4.724 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(C)c1 669110 VRABDAHCKIBAMC-UHFFFAOYSA-N 367.430 4.896 5 50 FJBA O=C(Nc1cccc(F)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 4842683 LTYRSTZFLPUNIA-UHFFFAOYSA-N 350.758 4.854 5 50 FJBA O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1226288 XOYOOZNQHAHVNY-UHFFFAOYSA-N 370.311 4.918 5 50 FJBA Cc1cccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 4668154 NBAOYMFQCYWZRH-UHFFFAOYSA-N 353.422 4.536 5 50 FJBA O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1156873 GCEGPDBLSFVHOP-UHFFFAOYSA-N 369.764 4.688 5 50 FJBA O=[N+]([O-])c1cc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)ccc1Cl 1022864 XPYLJNKCDAURNH-WUXMJOGZSA-N 366.807 4.837 5 50 FJBA CC(C)(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 1204715 BROTWTVEZZCKCZ-UHFFFAOYSA-N 353.378 4.521 5 50 FJBA Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 834245 LVGCRRVASBYLBO-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 4699685 QBTMYYFFDLZGBG-UHFFFAOYSA-N 374.702 4.528 5 50 FJBA Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1[N+](=O)[O-] 994031 NDBNXHIUFMVVJN-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2ccccc2c1Cl 844789 LNDHTLMHPUCKBJ-UHFFFAOYSA-N 362.794 4.724 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1 949097 FFLZGCYTMSAOLN-UHFFFAOYSA-N 356.385 4.817 5 50 FJBA CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Cl)cc([N+](=O)[O-])c1O2 1832589 VPKIBMHRKMVZFZ-IBGZPJMESA-N 356.809 4.778 5 50 FJBA CCOc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 5041345 PHLSRQJTPHGJJC-UHFFFAOYSA-N 369.299 4.656 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)cc1 949098 NFAYXWWTVHBEHC-UHFFFAOYSA-N 370.412 4.860 5 50 FJBA O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccccc1F 1214653 OENGYVBSSPWWPC-UHFFFAOYSA-N 369.377 4.532 5 50 FJBA CCOc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2Cl)c1 2983681 NLEWZRUCHUZXAG-UHFFFAOYSA-N 365.813 4.885 5 50 FJBA O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1N1CCCCCC1 3904835 BCDNKMOPTRZUAP-UHFFFAOYSA-N 364.405 4.692 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccccc2)o1 4813542 CVULULVZTJUPQF-UHFFFAOYSA-N 354.387 4.732 5 50 FJBA COc1ccc(NC(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)cc1 4984058 LZUJHPFQWWOOKE-UHFFFAOYSA-N 369.421 4.600 5 50 FJBA O=c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c2ccccc12 15016934 KXOCSMQNSYKORW-JXMROGBWSA-N 358.353 4.867 5 50 FJBA O=C(Oc1ccc2ccccc2c1)c1ccc(Br)c([N+](=O)[O-])c1 1313318 IXAHOKARFHMMJG-UHFFFAOYSA-N 372.174 4.730 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4550670 LHIFWBAKDYHREV-SNVBAGLBSA-N 369.204 4.616 5 50 FJBA CCCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 5068949 ULBHYMFPLLBCGE-UHFFFAOYSA-N 367.327 4.688 5 50 FJBA Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1C 4793039 PJFLVDHPDUYPQW-UHFFFAOYSA-N 369.204 4.536 5 50 FJBA CC1=CCC2(CC1)COC(C(C)(C)C[N+](C)(C)Cc1ccccc1)OC2 4950469 RSSOIVIRZCGBHE-UHFFFAOYSA-N 358.546 4.779 5 50 FJBA O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 846616 ILRZLVPMOBVQCY-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1Cl 2857197 JEILCLYFRMCDHQ-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 939940 NNWFXDDMDMSYSN-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)C1c2ccccc2Oc2ccccc21 1191779 UCPSTOVPCXRJGX-UHFFFAOYSA-N 364.332 4.610 5 50 FJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H]1CCc2ccccc2C1 22077827 LOSNZGBOUOUGNN-IIBYNOLFSA-N 361.445 4.601 5 50 FJBA CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 2810088 WAROUCCIUCYFPO-KRWDZBQOSA-N 364.338 4.972 5 50 FJBA Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 4286094 ZJCDWHMWMLXOAX-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(c2ccccc2)=C1c1ccccc1 4473990 GGLGXTQZFUIKOK-UHFFFAOYSA-N 356.381 4.774 5 50 FJBA aggregator O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccc([N+](=O)[O-])cc1 1134624 LPKFAAPRMSNJJB-AWEZNQCLSA-N 351.189 4.508 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(Cl)c1Cl 5041478 AGEYMZPEPJNFME-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)/C(=C/c1ccccc1)c1ccccc1 1134667 UYGWMRZMLJYGMR-QGOAFFKASA-N 362.360 4.913 5 50 FJBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)[N@]32)cc1 1857524863 UGEZQGGLUOBFLF-OUMCCJGNSA-N 373.387 4.661 5 50 FJBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1Cl 1208208 SRFVSIBYSPNBRG-UHFFFAOYSA-N 369.204 4.536 5 50 FJBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C1CCCCCCCCCCC1 2188707 MVHZITXRZCFOQU-UHFFFAOYSA-N 358.438 4.864 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OCc2ccccc2)c1 877406 UVHIPRHWNJPWQP-UHFFFAOYSA-N 366.348 4.565 5 50 FJBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1Sc1nc2ccccc2[nH]1 3876215 VUOODUJQDBWNHX-UHFFFAOYSA-N 354.435 4.613 5 50 FJBA O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(F)cc2)cc1 4681871 OPUSSIBFIIZODY-UHFFFAOYSA-N 352.365 4.925 5 50 FJBA CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 2825353 SNPVVNSZZQTGNO-UHFFFAOYSA-N 373.412 4.904 5 50 FJBA COc1cccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)c1 1152036 NHTGYVRJKNEGJN-UHFFFAOYSA-N 374.392 4.525 5 50 FJBA CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1[N+](=O)[O-] 946427 HZACERRGUQHSHQ-UHFFFAOYSA-N 356.422 4.859 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(C(C)(C)C)cc1 1051250 WDGMUJYNLYIVKT-UHFFFAOYSA-N 374.462 4.632 5 50 FJBA CC[C@@H](c1ccccc1)[C@@H](CC)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4790206 OMFJGVXCJITUOQ-ZWKOTPCHSA-N 372.377 4.632 5 50 FJBA COc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 2850557 FZCGFMAMBMZZPF-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA COC(=O)c1[nH]c2ccccc2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6640295 GLWPMKHFQFYZEE-UHFFFAOYSA-N 364.279 4.549 5 50 FJBA COc1ccc(Nc2cc(C)nc3c(C)ccc([N+](=O)[O-])c23)cc1OC 1199779 HSSKSQMGXVKHAH-UHFFFAOYSA-N 353.378 4.521 5 50 FJBA CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4491422 MRGLZZAMVHSBAB-AWEZNQCLSA-N 373.459 4.714 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1229119 ULKMNAFUOUVAAQ-HXUWFJFHSA-N 372.424 4.848 5 50 FJBA CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 2974823 QWWHIHOJNABPDD-UHFFFAOYSA-N 359.385 4.975 5 50 FJBA aggregator O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 1170649 SNVVQNPGKWMIPU-UHFFFAOYSA-N 360.728 4.900 5 50 FJBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21 1188440 MNIUWZFNKSQRFL-UHFFFAOYSA-N 362.410 4.967 5 50 FJBA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1 826470 WNWGLPDFPFFGPX-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA Cc1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(C)C 947367 IZNZSYGGSPYLPE-UHFFFAOYSA-N 362.813 4.698 5 50 FJBA Cc1cccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 1158385 OWIYZODMEZGMIU-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=c1c2ccccc2nc2c3ccccc3c(Sc3ccccc3)nn12 944691 VFABUMVHYYQDKA-UHFFFAOYSA-N 355.422 4.547 5 50 FJBA O=[N+]([O-])c1ccc(OCc2ccccc2)c(/C=C2/SC(=S)N=C2O)c1 1180570 IWDJRWLCTMCPEA-OQLLNIDSSA-N 372.427 4.503 5 50 FJBA Cc1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 834556 XWYCIXRCNHHBKV-UHFFFAOYSA-N 373.459 4.552 5 50 FJBA O=C(c1cc2ccccc2c2cccnc12)N1CCSc2ncccc21 225412578 PAKBBZDHDGRQQU-UHFFFAOYSA-N 357.438 4.536 5 50 FJBA Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1[N+](=O)[O-] 1217486 TZWOKCCJKCLBLQ-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1 1442503 FMSJGXRUJCWSJL-UHFFFAOYSA-N 357.001 4.787 5 50 FJBA O=c1cc(-c2ccc(Cl)cc2Cl)nc(-c2cccc([N+](=O)[O-])c2)o1 1181343 OBLGWEHAMDSWSJ-UHFFFAOYSA-N 363.156 4.584 5 50 FJBA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4948234 ANRSFOXKDHQHKT-UHFFFAOYSA-N 369.204 4.699 5 50 FJBA Cc1ccc(OCCCOc2cccc3ccc(C)nc23)c([N+](=O)[O-])c1 2823436 LIAPPHJDUMVJIH-UHFFFAOYSA-N 352.390 4.608 5 50 FJBA CC(=O)Nc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 4809037 GDNVZZQYFQGNLX-UHFFFAOYSA-N 373.718 4.969 5 50 FJBA O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 1004607 XHYGRYRVDCNIBI-UHFFFAOYSA-N 372.396 4.799 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1112980 VQTNTRSNXWULDX-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA Cc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 1127439 RADFPASMAROKAP-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA Cc1oc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 2325732279 GRUTYENYSUYSQB-UHFFFAOYSA-N 373.752 4.589 5 50 FJBA Cc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 1218023 IWFFIPUYFAMQHR-UHFFFAOYSA-N 374.440 4.855 5 50 FJBA Cc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)oc(=O)c2c1 704988 KLUKQYPRMHOKIK-UHFFFAOYSA-N 374.352 4.864 5 50 FJBA O=C(Nc1ccccc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819639 NDPZTGGASUDLLD-NBVRZTHBSA-N 362.360 4.913 5 50 FJBA O=[N+]([O-])c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)c2nonc12 4010554 ONGGNZTWLTZWDF-UHFFFAOYSA-N 358.663 4.547 5 50 FJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H]1CCc2ccccc2C1 22077830 LOSNZGBOUOUGNN-KKSFZXQISA-N 361.445 4.601 5 50 FJBA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1 2979526 LIFHUILUFAAXRC-UHFFFAOYSA-N 358.737 4.886 5 50 FJBA CC(=O)n1cc([C@H](C[N+](=O)[O-])SCc2ccccc2)c2ccccc21 1234756 KANSZVHXVDUCCT-IBGZPJMESA-N 354.431 4.553 5 50 FJBA O=C(OCc1cccc(F)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 5051483 MWMNMDQHBGMLKC-UHFFFAOYSA-N 367.332 4.883 5 50 FJBA O=C(Nc1ccccc1Cl)c1ccc(COc2ccccc2[N+](=O)[O-])o1 1083463 BPVFGUNLMHJPNG-UHFFFAOYSA-N 372.764 4.673 5 50 FJBA O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCCCC2 1126765 UFOWMAKMYBZWQK-UHFFFAOYSA-N 365.385 4.549 5 50 FJBA Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cccc1[N+](=O)[O-] 2982101 NLJRQOWEAKSHJN-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 4263978 XDCKXQFMERWWFC-IFMALSPDSA-N 371.396 4.837 5 50 FJBA Cc1ccc(C(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 1156866 OINKNTYBIBRIDB-UHFFFAOYSA-N 367.430 4.556 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)ccc1Cl 5046978 VLFQCJTXOGJEOC-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 2852782 JLQUPWQUWOTFNU-UHFFFAOYSA-N 358.463 4.899 5 50 FJBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 4998269 KOCCFDDWGBXYGJ-UHFFFAOYSA-N 361.401 4.768 5 50 FJBA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc([N+](=O)[O-])c1 706845 HEIXTIUXFAGYSS-UHFFFAOYSA-N 371.780 4.717 5 50 FJBA CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C)C 1144304 VHOBVYPCCPUPDA-RBUKOAKNSA-N 354.406 4.700 5 50 FJBA O=C(Nc1ccc(F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819733 MPPDYWOUTKONIM-XSFVSMFZSA-N 362.360 4.913 5 50 FJBA Cc1sc2nc3c4ccccc4c(-c4ccccc4)nn3c(=O)c2c1C 719318 RLEKWJBAZOYSKR-UHFFFAOYSA-N 357.438 4.741 5 50 FJBA Cc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2c1 830432 DUELGCFXFOVOEQ-UHFFFAOYSA-N 363.329 4.557 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(Cl)cc1 4834703 QRTAFXSJMJGWHI-UHFFFAOYSA-N 350.827 4.678 5 50 FJBA COc1cc(-c2cc(=O)c3ccc4ccccc4c3o2)cc(OC)c1OC 640267 ZTEFMPWLDDKYMW-UHFFFAOYSA-N 362.381 4.639 5 50 FJBA O=C(Nc1ccc(F)c(F)c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 659532 ZXSHKEKSKUOJDK-UHFFFAOYSA-N 368.748 4.993 5 50 FJBA COc1ccc([C@@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC 718329 ZQNNONMJISFFDL-NRFANRHFSA-N 363.369 4.608 5 50 FJBA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc([N+](=O)[O-])c1 1197540 RVYYISATUCLXLU-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA CCOC(=O)Cc1cc(-c2ccc(O)cc2)nc2ccc3ccccc3c12 13130733 PEKHDMHLDCARSE-UHFFFAOYSA-N 357.409 4.866 5 50 FJBA CC(C)c1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc([N+](=O)[O-])cc2)cc1 17075893 MICMASMUVUELGN-HNNXBMFYSA-N 370.449 4.753 5 50 FJBA CCN(CC)C(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 4833372 NAIMREYUNQELKS-UHFFFAOYSA-N 364.854 4.881 5 50 FJBA CCC(CC)n1ncc(Nc2cc(OC(F)F)ccc2[N+](=O)[O-])c1C 2325828599 MAXBUQUCLDMSDL-UHFFFAOYSA-N 354.357 4.806 5 50 FJBA O=[N+]([O-])c1cc(Br)cc2c1[nH]c1ccc(Br)cc12 753150 XRMUUSATUCOGCF-UHFFFAOYSA-N 370.000 4.754 5 50 FJBA Cc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542638 PIELQSVMTILKFZ-UHFFFAOYSA-N 350.374 4.735 5 50 FJBA CCCC[N+](C)(CCCC)C[C@H](O)CSc1nc2ccccc2s1 4831651 BFKUJTKIALPKDP-INIZCTEOSA-N 367.604 4.796 5 50 FJBA CC(C)CC1=NN2[C@H](c3ccc([N+](=O)[O-])cc3)Oc3ccccc3[C@H]2C1 239338665 KXFJXGLGHUUOGC-QUCCMNQESA-N 351.406 4.835 5 50 FJBA Cc1c(C)c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O 1164234 HZJGXRPRAMCIHO-UHFFFAOYSA-N 359.765 4.550 5 50 FJBA O=C(Cc1ccccc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2881154 HAYQYPUPCRICHM-UHFFFAOYSA-N 364.426 4.927 5 50 FJBA Cn1ncc2c(-c3cc(F)c(F)c(F)c3)c3oc4cc(O)ccc4c3nc21 252499985 SLBABBUYSFOUIW-UHFFFAOYSA-N 369.302 4.658 5 50 FJBA CCC(C)(C)NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401441 BBBVULARRIFJPD-UHFFFAOYSA-N 352.387 4.506 5 50 FJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 1135769 QWSIKMJOFRZLMM-OVCLIPMQSA-N 374.396 4.826 5 50 FJBA O=c1oc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)nc2ccccc12 918753 BHFVFIUKXWDNLL-UHFFFAOYSA-N 360.325 4.556 5 50 FJBA C[C@H](Cc1ccc(Cl)cc1)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2166270 CHTNMJYWGIXVFU-SNVBAGLBSA-N 368.798 4.811 5 50 FJBA CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1 1185806 LIYHCYSOHZBCOF-UHFFFAOYSA-N 373.821 4.997 5 50 FJBA C[C@@H](Cc1ccc(Cl)cc1)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2166269 CHTNMJYWGIXVFU-JTQLQIEISA-N 368.798 4.811 5 50 FJBA CN1c2ccccc2-c2ccccc2[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2848659 KCONMJMLIIPZRR-JOCHJYFZSA-N 356.381 4.970 5 50 FJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc2ccccc2o1 957913 CYUUNEJXOFRZPA-UHFFFAOYSA-N 365.370 4.717 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCc2ccccc2)c1 4544117 ONVMEIUYFSCOIW-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA CC[N+](CC)(CC)CCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1 239297255 DUTWIOAGRGMUTI-XMMPIXPASA-N 360.586 5.446 5 50 FJBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2Cc2ccccc2)c1 2858187 INUQRUBQAOPOMH-UHFFFAOYSA-N 363.442 4.995 5 50 FJBA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 939718 KGDSSLONOBCHCN-UHFFFAOYSA-N 356.422 4.527 5 50 FJBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 4542646 KVYADRLFEWEPSQ-UHFFFAOYSA-N 354.337 4.565 5 50 FJBA O=C(Nc1cccc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12 4625128 ZEAJHUOEXURSTF-UHFFFAOYSA-N 374.356 4.516 5 50 FJBA O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1NCc1ccco1 4755389 KBXDJMWGNXSOSP-UHFFFAOYSA-N 371.780 4.706 5 50 FJBA COc1ccccc1Nc1nc(Oc2cccc(C)c2)nc(C)c1[N+](=O)[O-] 3880425 LFZOFLJDJHHDKQ-UHFFFAOYSA-N 366.377 4.546 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 2857895 LSGXAHLGDQVFNC-LLVKDONJSA-N 350.827 4.676 5 50 FJBA O=[N+]([O-])c1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 4675441 LPUXBHGYMSREPA-UHFFFAOYSA-N 357.369 4.825 5 50 FJBA Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(Cl)cc2)s1 1009733 ZEZAEKUFXHQFEM-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 127855705 ZPGSTXFJGKQLJG-KZULUSFZSA-N 371.412 4.966 5 50 FJBA COc1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1128960 JYPSSXPLYDWDJJ-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 4989851 DOQNUUWLTWUVTP-UHFFFAOYSA-N 362.341 4.755 5 50 FJBA CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccccc1)c1cc([N+](=O)[O-])ccc1-2 4533186 HNMIUXWGTUMRML-HSZRJFAPSA-N 372.424 4.631 5 50 FJBA Cc1c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)oc2ccccc12 4777402 LXVUDABBIZPYEC-UHFFFAOYSA-N 353.359 4.511 5 50 FJBA CC[C@@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 1117265 MGCZWOZZTWQYCL-MRXNPFEDSA-N 367.430 4.851 5 50 FJBA C[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 1121977 HPFASIGBGBBPJT-CYBMUJFWSA-N 357.479 4.940 5 50 FJBA COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 4699586 BZFBFXMQFAWWHE-UHFFFAOYSA-N 370.792 4.971 5 50 FJBA O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccccc1[N+](=O)[O-] 1142539 RJGJBNLHGDQKMQ-UHFFFAOYSA-N 363.156 4.669 5 50 FJBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 4423415 QBPUBRBRTHPZFT-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1053144 DGYBKXHKYUNLEU-ACCUITESSA-N 364.357 4.515 5 50 FJBA Cc1ccccc1-c1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 753183 VJNQJVBSSYODSF-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA Cc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)oc3=O)o2)cc1 846011 PGFRUTJOLJRWAG-UHFFFAOYSA-N 354.365 4.972 5 50 FJBA COc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 12371587 KBYGZZAQYKYPGL-ZRDIBKRKSA-N 364.357 4.515 5 50 FJBA O=[N+]([O-])c1ccc(NCCOc2cccc3ccccc23)c2ncccc12 4819581 BUVWTJYYTOTXQM-UHFFFAOYSA-N 359.385 4.787 5 50 FJBA CN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4833620 HBKKJOIMPIHFCO-UHFFFAOYSA-N 362.385 4.659 5 50 FJBA O=C(Nc1cccc(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4873132 BEHQEHAYDXYPME-DEDYPNTBSA-N 362.360 4.913 5 50 FJBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(Cl)cc1 4989813 CPTVCQUBHOQGNS-UHFFFAOYSA-N 361.663 4.919 5 50 FJBA O=[N+]([O-])c1c(Nc2ccccc2)cc(NC2CCCCC2)c2nonc12 4754671 RFTBHIAOALHLFJ-UHFFFAOYSA-N 353.382 4.619 5 50 FJBA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 766498 MXFUIUPCZDUIPC-HXUWFJFHSA-N 359.385 4.674 5 50 FJBA CCCc1cc(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12 1175712 GCCQFCRWJFLKGD-UHFFFAOYSA-N 353.374 4.541 5 50 FJBA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] 4427273 PCJCIVCCUSVYQD-UHFFFAOYSA-N 369.204 4.699 5 50 FJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 1193813 ARVGVWHNKZYZJS-UHFFFAOYSA-N 350.349 4.505 5 50 FJBA CC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1 6822966 KXTYSBLMXSLWKW-UHFFFAOYSA-N 356.381 4.520 5 50 FJBA CC(C)(C)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1218740 CFYGOZKZPFLAGT-UHFFFAOYSA-N 355.419 4.754 5 50 FJBA O=[N+]([O-])c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 32264503 MUQGVERJAKANJN-UHFFFAOYSA-N 355.397 4.632 5 50 FJBA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 753275 AKLBXJKKBMVCPB-UHFFFAOYSA-N 358.703 4.828 5 50 FJBA O=[N+]([O-])c1ccc(CSc2ncc(-c3ccc(Cl)cc3)cn2)cc1 1397670 OVEMKTZMAYHPLH-UHFFFAOYSA-N 357.822 4.998 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 1213671 YSOYJFNGCONHRQ-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA O=[N+]([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)c(Cl)c1 1231402 ODGRFEPUNYDDDJ-WUXMJOGZSA-N 366.807 4.837 5 50 FJBA CCOC(=O)c1sc(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 755009 MICACKFQTDHLDQ-UHFFFAOYSA-N 354.387 4.562 5 50 FJBA O=C(NC1CCCC1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 2881264 HSBARIKDAXNGDE-UHFFFAOYSA-N 360.797 4.713 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=N[C@H](c4ccccc4)N32)cc1 42784426 MMPJPLZUJANSCC-PQSRQHIVSA-N 355.397 4.522 5 50 FJBA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])o1 650217 HJEWXDDOPNSHGH-UHFFFAOYSA-N 365.370 4.717 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)[N@@]32)cc1 1857524862 UGEZQGGLUOBFLF-NMOFPLQQSA-N 373.387 4.661 5 50 FJBA O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1057683 DAYUPTHMSVBMIP-UHFFFAOYSA-N 350.399 4.998 5 50 FJBA CN(c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12)C1CCCCC1 1759724 QMUZZYIDAKWWOD-UHFFFAOYSA-N 362.433 4.974 5 50 FJBA O=C(/C=C/c1ccccc1[N+](=O)[O-])NC(c1ccccc1)c1ccccc1 1126518 AWQGNPKQUAFOCZ-FOCLMDBBSA-N 358.397 4.514 5 50 FJBA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 4851941 ZXXBEBZOSMCNTC-JOCHJYFZSA-N 373.412 4.959 5 50 FJBA Cc1ccc([C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 480584433 SXNJXUHHBOPICH-QGZVFWFLSA-N 354.797 4.548 5 50 FJBA O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 1153562 QSUVFNPJKQQCNE-IBGZPJMESA-N 363.348 4.505 5 50 FJBA Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1187966 ZZFHKDIPUMQENH-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA Cc1cccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 4542645 UTIGQHZABHSJDS-UHFFFAOYSA-N 350.374 4.735 5 50 FJBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4740450 STSPJSDNFLOFAG-UHFFFAOYSA-N 369.421 4.530 5 50 FJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@H]1CCc2ccccc2C1 22077832 LOSNZGBOUOUGNN-HRAATJIYSA-N 361.445 4.601 5 50 FJBA O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCO[C@@H]3c3ccccc3)ccc2c1 170593767 LZPGKABKDDLGBN-DYESRHJHSA-N 363.417 4.723 5 50 FJBA O=C(Nc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1154912 NUAHUUPGISQOBM-UHFFFAOYSA-N 350.399 4.998 5 50 FJBA O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 4301257 OUXREEPWQOPTQB-IFMALSPDSA-N 371.396 4.837 5 50 FJBA O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1 4865708 BPHLUJMJQBCHJQ-UHFFFAOYSA-N 356.385 4.817 5 50 FJBA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1[N+](=O)[O-] 1209679 LTQQOESFYMLJQZ-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA CC1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 4998868 KCVUMSBMRWMLKH-UHFFFAOYSA-N 373.840 4.737 5 50 FJBA COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 669909 JOPIFGKECOVSTA-UHFFFAOYSA-N 356.765 4.662 5 50 FJBA c1ccc2nc3c(nc2c1)c1ccccc1n3Cc1nc2ccccc2o1 4744609 GNLKUQRRBYSCNW-UHFFFAOYSA-N 350.381 4.927 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 4903854 RNZDSHOTVAFNAQ-XVNBXDOJSA-N 351.189 4.862 5 50 FJBA Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1200549 QZSHTDLPDIWLMC-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 2840651 DKBBFRAONZZIID-UHFFFAOYSA-N 373.408 4.581 5 50 FJBA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 2566729 BVJMMLNAZPQTKF-UHFFFAOYSA-N 369.204 4.699 5 50 FJBA CCOc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 1156508 GYZPEFOPMTVFBT-UHFFFAOYSA-N 359.381 4.597 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 4892341 VHFCZRYVDGMDNQ-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA CC(C)c1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])cc1 17075902 BWEDLGPJMGSQFA-HNNXBMFYSA-N 370.449 4.753 5 50 FJBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 1100066 YSYCGRMQPZRCEY-UHFFFAOYSA-N 356.447 4.762 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 657352 RQALQLLAAWIVNT-SOFGYWHQSA-N 367.188 4.562 5 50 FJBA Cc1ccc2cccc(OCCCOc3ccc([N+](=O)[O-])c(C)c3)c2n1 2825264 IVEJLGRHCVWLKO-UHFFFAOYSA-N 352.390 4.608 5 50 FJBA O=[N+]([O-])c1cccc(COc2ccc(-c3cnc4ccccc4n3)cc2)c1 1141280 LXVBDADTUPCPJC-UHFFFAOYSA-N 357.369 4.784 5 50 FJBA COc1ccccc1Nc1nc(Oc2ccc(C)cc2)nc(C)c1[N+](=O)[O-] 3880443 KOPBOIDYKCQPJL-UHFFFAOYSA-N 366.377 4.546 5 50 FJBA O=[N+]([O-])c1ccc(Cl)c(CN2CCC3(C=Cc4ccccc43)CC2)c1 1231661 QHZOLLMUDSSYQW-UHFFFAOYSA-N 354.837 4.809 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4906869 CAEAAHFMVGJFAA-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA COc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1138782 GFVSVARQGVNDNI-XDJHFCHBSA-N 374.396 4.783 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 2857896 LSGXAHLGDQVFNC-NSHDSACASA-N 350.827 4.676 5 50 FJBA COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4892574 ZJGQTYQEUGYMTE-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(Cc4ccccc4)c3n2)cc1 847450 GIUDGABZICYTOC-UHFFFAOYSA-N 368.396 4.913 5 50 FJBA CCCCCCn1c(N)c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c1=O 25692006 XOPHZEANGKFPRF-UHFFFAOYSA-N 365.433 4.739 5 50 FJBA COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 1207334 FEBVNLGDLJDACB-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccccc1[N+](=O)[O-])O[C@H]1CCCC[C@@H]21 245226488 ZIAKEACEGLRLJF-ZJTDPSCFSA-N 369.417 4.758 5 50 FJBA Cc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 942447 GFVVGCIEHOPHIB-UHFFFAOYSA-N 365.263 4.821 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12 994479 YZLRXMVGEWRVSE-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)cc1 1214409 LHKQDTIIMFSLNW-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1cccc([N+](=O)[O-])c1)O[C@@H]1CCCC[C@@H]21 245226453 XQYSWHWKNJFTCV-ZOCZFRKYSA-N 369.417 4.758 5 50 FJBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC1CCCCC1 957047 PQUSKFIUSUCXKC-UHFFFAOYSA-N 363.357 4.582 5 50 FJBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)[N@@]32)cc1 1857524861 UGEZQGGLUOBFLF-IYXIZZNPSA-N 373.387 4.661 5 50 FJBA O=[N+]([O-])c1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2F)c1 2859211 YDVAPBPBRYOBBE-UHFFFAOYSA-N 359.304 4.562 5 50 FJBA Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 4181158 UXDYTZVZMAOUSA-UHFFFAOYSA-N 354.328 4.721 5 50 FJBA Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 5092412 QANHMDPZUMVGCP-QPJJXVBHSA-N 351.189 4.862 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl 4349003 HJIGVJMWWRAUHL-UHFFFAOYSA-N 369.204 4.536 5 50 FJBA O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4301254 OUXREEPWQOPTQB-RBBKRZOGSA-N 371.396 4.837 5 50 FJBA CCc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 1054667 NQAPAAVPUJBJPC-UHFFFAOYSA-N 369.240 4.542 5 50 FJBA C[C@@]12CC3CC(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 18254625 PFFLPYSAXZCSIV-CMXJYWLISA-N 362.857 4.727 5 50 FJBA Cn1ncc2c(-c3ccc(O)c(Cl)c3)c3oc4cc(O)ccc4c3nc21 252489021 JDUBWSVNUBOOIN-UHFFFAOYSA-N 365.776 4.599 5 50 FJBA O=[N+]([O-])c1cccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)c1 1134732 VFMCEPLKOYSGTH-UHFFFAOYSA-N 357.369 4.946 5 50 FJBA O=C(OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 2509171 WKDDXWSYTJQIGY-UHFFFAOYSA-N 360.580 4.912 5 50 FJBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl 148894945 ZWCYJSVQWQUCIK-UHFFFAOYSA-N 372.805 4.925 5 50 FJBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 829432 WIGDWNPUZMMPNW-UHFFFAOYSA-N 354.369 4.781 5 50 FJBA CC(C)c1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])cc1 17075901 BWEDLGPJMGSQFA-OAHLLOKOSA-N 370.449 4.753 5 50 FJBA O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19823476 GLFYSHYMOLNWDD-UHFFFAOYSA-N 373.456 4.506 5 50 FJBA Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl 4706941 KWBCODKZBYGWSK-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(CSc2ccccc2)o1 4825700 DYGSSAQQKYQHCF-UHFFFAOYSA-N 354.387 4.732 5 50 FJBA COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1130318 AGHYCDUAXGIZPU-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc2ccccc2c1 1215365 LCRNLEJIORORDL-UHFFFAOYSA-N 368.348 4.702 5 50 FJBA CC1=C[C@H](C)[C@@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@H](C)C1 101840680 BUAJNOTVFDETEE-TUNNFDKTSA-O 372.577 4.855 5 50 FJBA CC(C)C(NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)C(C)C 1147247 CCGZETRMOIUVDK-XSFVSMFZSA-N 366.461 4.932 5 50 FJBA CCCCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 4725241 HLLICGKJMLXIFP-UHFFFAOYSA-N 353.374 4.623 5 50 FJBA CCc1nc([C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cs1 170624851 TXOAQXYLQPSNPX-CYBMUJFWSA-N 361.470 4.898 5 50 FJBA COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-] 1121213 HDDCNNCAWIATQF-UHFFFAOYSA-N 363.373 4.599 5 50 FJBA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] 4056324 KGUZXKLGSRVGBM-NTCAYCPXSA-N 374.396 4.826 5 50 FJBA COc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1501106 SHXIVJKFGAYDPD-ZRDIBKRKSA-N 364.357 4.515 5 50 FJBA O=C(OCc1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1115954 HDAMAXHSHXLQLT-UHFFFAOYSA-N 367.332 4.883 5 50 FJBA COC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)cc([N+](=O)[O-])c1 97757245 RNUDHCXVDQVOAB-UHFFFAOYSA-N 363.369 4.627 5 50 FJBA CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccc([N+](=O)[O-])cc2)C1(C)C 1144306 VHOBVYPCCPUPDA-MOPGFXCFSA-N 354.406 4.700 5 50 FJBA CN(C)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 1170333 PVPNDMMRNXOACB-UHFFFAOYSA-N 369.808 4.720 5 50 FJBA C[C@@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1cc(Br)ccc1O3 4770051 YLGMNLNIVPDRAX-QMMMGPOBSA-N 360.163 4.785 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 1230539 IOXKOQLKKRZLDX-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1778092 GDPJITPGJZTRFS-BJMVGYQFSA-N 360.797 4.689 5 50 FJBA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])cc2cn[nH]c12 4625127 JCAHSSXCTJOGDN-UHFFFAOYSA-N 374.356 4.516 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc2ccccc12 4867268 LRLGIJZFIKDEFK-UHFFFAOYSA-N 352.415 4.787 5 50 FJBA COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 16974698 SESQBQFAISLABJ-UHFFFAOYSA-N 372.384 4.957 5 50 FJBA O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 4263977 XDCKXQFMERWWFC-RBBKRZOGSA-N 371.396 4.837 5 50 FJBA CCc1cc(Br)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 5041545 LHVLPDBCSKBUIE-UHFFFAOYSA-N 364.199 4.564 5 50 FJBA Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(Cl)c3)c3cn[nH]c3nc12 218205700 JTGNPKOYIOECBL-UHFFFAOYSA-N 365.776 4.897 5 50 FJBA Cc1c(C(=O)Nc2ccc(Br)c(Cl)c2)cccc1[N+](=O)[O-] 1120217 QCPLXQNSLJWKNP-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA Cc1cccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1C 4321230 KOHYPTUJBKQOTQ-UHFFFAOYSA-N 355.272 4.882 5 50 FJBA CC(=O)c1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 4771371 LQTXSQQBIZRGCV-UHFFFAOYSA-N 374.805 4.918 5 50 FJBA O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 1049377 OIYNYHUCSCHFBO-BQYQJAHWSA-N 368.614 4.929 5 50 FJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F 1158026 HZDZMOSGBWXEPW-QPJJXVBHSA-N 370.714 4.919 5 50 FJBA O=C(Oc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1166552 NEESCJJXHVUUCT-UHFFFAOYSA-N 351.383 4.965 5 50 FJBA CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4031837 QRKBMZHMISJRIA-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 937374 HNVSIODGVKDNDP-UHFFFAOYSA-N 367.430 4.896 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC2c3ccccc3C1c1ccccc12 712637 YMKAGFCGJZUJRO-ORFBVSJDSA-N 370.408 4.831 5 50 FJBA O=Cc1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O 1196954 SINOBKFPSJNFGV-UHFFFAOYSA-N 366.376 4.611 5 50 FJBA CCC(CCC(=O)c1ccccc1)(CCC(=O)c1ccccc1)[N+](=O)[O-] 2154877 VZMMNHGACLYXQZ-UHFFFAOYSA-N 353.418 4.738 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)c(C)c1 1203029 ZTCMBFKJBXCKNG-UHFFFAOYSA-N 359.432 4.649 5 50 FJBA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4827862 KPCIMPCCUXSMEL-JTQLQIEISA-N 369.204 4.616 5 50 FJBA CN(C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C1CCCCC1 4867537 CTPUDQBPIDOVKP-UHFFFAOYSA-N 354.406 4.792 5 50 FJBA O=C(O[C@@]12CC[C@H]3CC[C@@H]([C@H]4CC[C@H]1C4)[C@H]2C3)c1ccc([N+](=O)[O-])cc1 257357725 PPCQHGLYZSNGKN-GUKGUFNQSA-N 355.434 4.747 5 50 FJBA Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] 1065310 UPWXMOLBTLJOFT-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 5102579 CGBVTHRAIUTSES-UHFFFAOYSA-N 371.780 4.706 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 5041783 OEIVULKWCHGJDL-UHFFFAOYSA-N 359.691 4.911 5 50 FJBA Cc1ccn2c(-c3csc(Nc4cccc([N+](=O)[O-])c4)n3)c(C)nc2c1 888703 WGOARVWJKVGGBO-UHFFFAOYSA-N 365.418 4.726 5 50 FJBA O=[N+]([O-])c1cccc(COc2cccc(-c3cnc4ccccc4n3)c2)c1 1140880 OHDZIERSFQJFRY-UHFFFAOYSA-N 357.369 4.784 5 50 FJBA O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br 4590410 XDMPCVOHLCMAOK-UHFFFAOYSA-N 370.590 4.655 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=N[C@@H](c4ccccc4)N32)cc1 42784425 MMPJPLZUJANSCC-KPRVRVNESA-N 355.397 4.522 5 50 FJBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 4542651 INNBZMKLCUUDIQ-UHFFFAOYSA-N 354.337 4.565 5 50 FJBA O=[N+]([O-])c1ccc(-c2csc(/C=C/c3ccc4c(c3)OCCO4)n2)cc1 1875253740 YNIWUBMCHWTQIL-KRXBUXKQSA-N 366.398 4.660 5 50 FJBA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1218015 VBAAAVMHMFXRPL-SNVBAGLBSA-N 369.204 4.616 5 50 FJBA Cc1ccc(NC(=O)OCCOc2cccc3ccccc23)c([N+](=O)[O-])c1 4799786 NWHQAELLOJPMKW-UHFFFAOYSA-N 366.373 4.684 5 50 FJBA O=[N+]([O-])C1=Cc2cc(Br)ccc2O[C@@H]1c1ccccc1Cl 1119466 JLDRGJHZCVXNKN-OAHLLOKOSA-N 366.598 4.854 5 50 FJBA CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3c([N+](=O)[O-])cccc13)O2 4623457 VADZLTVDHCCVKO-QFIPXVFZSA-N 373.412 4.967 5 50 FJBA O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 1213417 MLDGBPBONASVJX-UHFFFAOYSA-N 357.218 4.632 5 50 FJBA Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c([N+](=O)[O-])c1 4832905 NQOQLBNIWYNFQI-UHFFFAOYSA-N 360.413 4.941 5 50 FJBA Cc1ccc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 5262013 XEFQYEIZGTWFCR-GXDHUFHOSA-N 368.414 4.918 5 50 FJBA CCOc1ccc(C(=O)CSc2nc3ccccc3s2)cc1[N+](=O)[O-] 9226410 LGRCTAWIPPLOIZ-UHFFFAOYSA-N 374.443 4.578 5 50 FJBA biogenic O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)cs1 3199722 LYGSTTDFWSCWCM-UHFFFAOYSA-N 358.354 4.501 5 50 FJBA COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4956969 GTLFGSURGRTURE-UHFFFAOYSA-N 356.765 4.662 5 50 FJBA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 997706 JDMWTVSBNGGSSF-UHFFFAOYSA-N 360.413 4.547 5 50 FJBA O=C(NC1CCCC1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 2881696 QOWYHSNOXDOYNE-UHFFFAOYSA-N 360.797 4.713 5 50 FJBA CCC(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 2751431 SOABPZUOLFOHRI-UHFFFAOYSA-N 359.432 4.704 5 50 FJBA O=[N+]([O-])c1c(Nc2ccc(Cl)c(C(F)(F)F)c2)ccc2nonc12 4179524 FXUKXNSGAXJPHR-UHFFFAOYSA-N 358.663 4.547 5 50 FJBA CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(F)(F)F)cc2)c1 254286805 LITXVDAFEYLWQE-UHFFFAOYSA-N 362.311 4.508 5 50 FJBA in-vitro COc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1053188 HDXRPJARJBUTTG-ACCUITESSA-N 364.357 4.515 5 50 FJBA O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c(=S)n2-c2ccccc2)cc1 4774856 VRDAZOPRHHRMDN-UHFFFAOYSA-N 374.425 4.968 5 50 FJBA Cc1ccc(Sc2c(C)nn(C(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1 5942444 SCBUYVBWOVTWJT-UHFFFAOYSA-N 367.430 4.556 5 50 FJBA CC1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 4983713 PUJHLLMYTPTSHS-UHFFFAOYSA-N 373.840 4.737 5 50 FJBA O=C(O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 12336663 LAMJOEWYKPPTAJ-ZZXKWVIFSA-N 368.172 4.578 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 4342073 IGWGQAWZTMKKRG-SOFGYWHQSA-N 351.189 4.862 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 657387 FDEFDHNRGGEDHK-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCCC1 1140689 FMPHAVKZRCYHCQ-UHFFFAOYSA-N 360.797 4.667 5 50 FJBA O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1 1179239 GLCJDCHBHUTXCZ-UHFFFAOYSA-N 366.160 4.531 5 50 FJBA O=C(Nc1ccccc1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128262 NFZIWYBXFGDOMK-UHFFFAOYSA-N 358.350 4.840 5 50 FJBA O=c1c2cc(O)cc3cccc(c32)c2nc3ccc4c5c(ccc(c35)n12)CC4 655335 PBHSOLJAEMORFL-UHFFFAOYSA-N 362.388 4.549 5 50 FJBA Cc1cccc(C)c1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 1231063 IXMNSWVTCQMQJI-UHFFFAOYSA-N 373.459 4.552 5 50 FJBA COc1cc(Cl)ccc1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4828864 VLWISFATSLFMJO-UHFFFAOYSA-N 370.192 4.579 5 50 FJBA COc1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])oc1ccccc12 3567015 JQXUFRQARXYPPQ-UHFFFAOYSA-N 362.341 4.755 5 50 FJBA O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(O)cc2)cc1 3898215 HJZBLNUORRBHBB-NRFANRHFSA-N 359.385 4.656 5 50 FJBA CN(C(=O)N(C)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1875388215 RFMAHXHQJMHTHX-UHFFFAOYSA-N 354.193 4.594 5 50 FJBA O=[N+]([O-])c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 754397 QPUOHQMKLGKSTN-UHFFFAOYSA-N 356.385 4.569 5 50 FJBA CCOc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1 5028175 WOFRYNYIYNDQFN-UHFFFAOYSA-N 374.780 4.954 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536496 BGIYKDUASORTBB-UHFFFAOYSA-N 360.348 4.853 5 50 FJBA in-vivo O=c1c([N+](=O)[O-])c(NC2CCCCC2)c2ccccc2n1-c1ccccc1 4866562 OCZBTHBSSBEIIG-UHFFFAOYSA-N 363.417 4.644 5 50 FJBA O=C(Oc1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1166664 MFTSQOMQQGDWFG-UHFFFAOYSA-N 353.305 4.745 5 50 FJBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 4542780 XRHRIZZPLXMHIK-PKNBQFBNSA-N 352.321 4.646 5 50 FJBA CN(Cc1ccc(-c2ccccc2)cc1)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 2325839571 XSEUZRAKIORFIK-UHFFFAOYSA-N 372.428 4.770 5 50 FJBA O=c1oc2ccccc2c(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 4833899 FPLQPOWWDCNFMQ-UHFFFAOYSA-N 351.145 4.752 5 50 FJBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c1 4998297 VLXSBZOPXMLHDR-UHFFFAOYSA-N 353.422 4.536 5 50 FJBA Cc1cc(C(=O)Oc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 2898301 STJSQDDESRLGLX-UHFFFAOYSA-N 363.369 4.701 5 50 FJBA O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCCCC1 1120333 YSJMNHIDGWAAGP-UHFFFAOYSA-N 356.447 4.762 5 50 FJBA CCCCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-] 2861688 KUCZMBMSSPKOEY-UHFFFAOYSA-N 371.824 4.680 5 50 FJBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1C 4755594 RCWYUIRNZOCDGA-UHFFFAOYSA-N 369.204 4.536 5 50 FJBA COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1064153 LCRIHEFXTQFJQW-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)OC 33830370 OXNHRKGZZFWUQZ-QORFUXSJSA-N 356.462 4.786 5 50 FJBA biogenic,in-vitro O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(c1ccccc1)c1ccccc1 4005906 ZEBJHFCREQHAHI-SFHVURJKSA-N 358.397 4.540 5 50 FJBA CCOc1ccc(C(=O)Cc2cc3c(ccc4ccccc43)oc2=O)cc1 1152077 AYSXDPXMTGLEEW-UHFFFAOYSA-N 358.393 4.770 5 50 FJBA CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c1Nc1ccc(C)cc1 1388038 ITYKVFDTOMVDCX-UHFFFAOYSA-N 365.389 4.819 5 50 FJBA O=C(NCc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 4840135 MEGLJZWEGVPIFI-UHFFFAOYSA-N 364.426 4.676 5 50 FJBA Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 877718 YGWICSHSGHLCPE-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA CCOc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)Nc2ccc3ccccc3c21 2883290 VJXLAVDQPGYAHD-QGZVFWFLSA-N 362.385 4.621 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 19880641 SWTQRWOZBPPONM-IRLDBZIGSA-N 371.396 4.837 5 50 FJBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1 4755157 JMKZNKFGBFUXTO-UHFFFAOYSA-N 373.840 4.737 5 50 FJBA CCn1c2ccccc2c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 2974360 VOHCQGMRJCPAKJ-UHFFFAOYSA-N 359.385 4.975 5 50 FJBA aggregator C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1 5064105 KYGYQEISWHLEPH-ZDUSSCGKSA-N 373.840 4.879 5 50 FJBA Cc1ccc(-c2ccc(OC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 959357 INXGWFUCTCPRKB-UHFFFAOYSA-N 363.369 4.555 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(C)c1 995702 VJKIRMFCINOSQX-UHFFFAOYSA-N 367.430 4.896 5 50 FJBA C[C@H](c1ccccc1)[C@@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 12383793 JDFNXYLSSCARAW-AGILITTLSA-N 366.525 4.733 5 50 FJBA O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 15746028 QIGUVAZGQCUUHD-SDQBBNPISA-N 366.807 4.837 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245380427 YWCQKKGLXGBROQ-PLCCKUGISA-N 356.422 4.568 5 50 FJBA O=[N+]([O-])c1cc(F)c(N2CCc3ccccc3C2)cc1N1CCCCCC1 4168609 OZHNVERRTIXQMB-UHFFFAOYSA-N 369.440 4.677 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 4342072 RKCVOONUVNTSSF-SOFGYWHQSA-N 367.188 4.562 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1229120 ULKMNAFUOUVAAQ-FQEVSTJZSA-N 372.424 4.848 5 50 FJBA COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2ccccc2)nc2ccccc12 955725 WZHVAJOJXXYAPJ-UHFFFAOYSA-N 372.384 4.957 5 50 FJBA CCn1c(/C=C/c2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 5658882 PJPDWIGEPHEHRC-VAWYXSNFSA-N 366.446 4.669 5 50 FJBA CN(Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 2817557 FGQYHINDVWFGJX-UHFFFAOYSA-N 370.412 4.841 5 50 FJBA aggregator CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccc([N+](=O)[O-])cc2)C1(C)C 1144303 VHOBVYPCCPUPDA-RTBURBONSA-N 354.406 4.700 5 50 FJBA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl 4573523 UNJGZULDUUBIMU-UHFFFAOYSA-N 362.857 4.585 5 50 FJBA Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 1187961 FJSSJWHZACUKCL-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)cc(Cl)c1 1225466 VBMXATCYMBOVSI-UHFFFAOYSA-N 368.201 4.764 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 16994048 CWTDCUNNIJYHKP-UHFFFAOYSA-N 358.357 4.654 5 50 FJBA CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 2810089 WAROUCCIUCYFPO-QGZVFWFLSA-N 364.338 4.972 5 50 FJBA O=C(NCc1ccco1)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 1437211 MRWJEHNEBHQHNH-UHFFFAOYSA-N 360.435 4.543 5 50 FJBA C[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C1 4998321 YTRKQMNAQKDXMU-ZDUSSCGKSA-N 373.840 4.737 5 50 FJBA Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1oc(=O)c1ccccc12 2290995 KIRGQFMSSIULMD-UHFFFAOYSA-N 361.353 4.742 5 50 FJBA O=C(NC1CCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4872385 HSPNLECFMDQORT-LTGZKZEYSA-N 364.445 4.974 5 50 FJBA O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 5102523 ZJUVBIHARGQDLT-UHFFFAOYSA-N 373.840 4.881 5 50 FJBA O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] 846620 ZFQMDXGUCYMRQZ-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA O=[N+]([O-])c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19300086 HGQZVRWIMOXMIN-UHFFFAOYSA-N 373.456 4.611 5 50 FJBA Cc1c(Cl)c(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12 641722 RHWMUXMMGXKDLE-UHFFFAOYSA-N 359.765 4.550 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2c(Cl)cccc12 4868911 IPRMQEIRZTYWOZ-UHFFFAOYSA-N 356.765 4.662 5 50 FJBA CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(Cl)cc([N+](=O)[O-])c1O2 1832590 VPKIBMHRKMVZFZ-LJQANCHMSA-N 356.809 4.778 5 50 FJBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Br 2901251 YASDZEXSKPVGFC-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1[N+](=O)[O-] 753033 JBTMASYUZXYOFG-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4550671 LHIFWBAKDYHREV-JTQLQIEISA-N 369.204 4.616 5 50 FJBA O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2c(ccc3ccccc23)N1 2499308 KIYGAJORDVLONJ-HNNXBMFYSA-N 352.777 4.876 5 50 FJBA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1218014 VBAAAVMHMFXRPL-JTQLQIEISA-N 369.204 4.616 5 50 FJBA O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(OCc3ccccc3)c21 1097323 RPVGQRSEDLNGAI-UHFFFAOYSA-N 362.341 4.532 5 50 FJBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)cc1 1140612 SVTBZXJUEKQHPC-UHFFFAOYSA-N 363.369 4.531 5 50 FJBA Cc1ccc(C(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 1465093 IPVDHAPNVDFZOX-UHFFFAOYSA-N 367.430 4.556 5 50 FJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1 11866637 XDCKXQFMERWWFC-IRLDBZIGSA-N 371.396 4.837 5 50 FJBA O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccccc3c2N1 853765 YCNJFNRSARUTEH-HNNXBMFYSA-N 352.777 4.876 5 50 FJBA aggregator CCCCc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 2837690 HFPDYUCLZJEBST-UHFFFAOYSA-N 355.419 4.799 5 50 FJBA Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 4985933 CCVJVTHFTNSGHW-UHFFFAOYSA-N 360.826 4.503 5 50 FJBA CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(CCC(=O)O)c-2cc1C 43763980 PUXJFVSSOFFDHC-CLCOLTQESA-N 366.461 4.524 5 50 FJBA in-vitro Cc1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1C 4181128 CFOBWSJJHMKITI-UHFFFAOYSA-N 369.465 4.693 5 50 FJBA O=c1c2cc(Br)ccc2ccc2ccc(Br)cc12 1565505241 FHFJGNMPGCZWCW-UHFFFAOYSA-N 364.036 4.878 5 50 FJBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CCCCC1 5051396 CXNFDXGQCDDBOM-UHFFFAOYSA-N 367.449 4.612 5 50 FJBA CC(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)cc1 6822506 WCSPLVRSQZNXMI-UHFFFAOYSA-N 356.381 4.520 5 50 FJBA CCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 652107 LGLKWRNLMIVMOU-UHFFFAOYSA-N 353.403 4.533 5 50 FJBA Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 877709 QOBHQXPYBXESOB-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 1158851 XOBWISOUBKRPIP-UHFFFAOYSA-N 367.401 4.682 5 50 FJBA aggregator O=C(OC[C@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2043368 MLAWFYAMSSNCKR-FQEVSTJZSA-N 361.397 4.778 5 50 FJBA Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 5093825 WAGWRFDIKWGYBR-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA O=C(CSc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 1076813 CGQSBFHPXWCFGC-UHFFFAOYSA-N 356.428 4.693 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1230437 PUKMYOGRCXGIKL-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA O=[N+]([O-])c1ncccc1NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325827693 NKABFTDLPYMRJF-UHFFFAOYSA-N 352.221 4.874 5 50 FJBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCc1cccnc1 19530865 LWPVPXBNMCBCBW-UHFFFAOYSA-N 357.413 4.572 5 50 FJBA Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 1153120 RZWQPIQJZVCBSE-UHFFFAOYSA-N 365.263 4.821 5 50 FJBA COc1ccccc1OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1167761 BMTBDYQJYRLQHO-UHFFFAOYSA-N 365.341 4.615 5 50 FJBA O=C(Nc1nccs1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 1432647 QJSXLFKVFQMYSH-UHFFFAOYSA-N 365.370 4.580 5 50 FJBA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 2970372 LFQSTSBJSGPJDY-QHHAFSJGSA-N 355.152 4.693 5 50 FJBA COc1ccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 622122 QFEPDTAJHPMJKS-UHFFFAOYSA-N 374.392 4.525 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 1021574 MJDDNQAIIKMTGR-ZWKOTPCHSA-N 352.434 4.943 5 50 FJBA O=C(NCc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 4857397 NEDWSZCVXMLDSA-UHFFFAOYSA-N 364.426 4.676 5 50 FJBA CC(C)c1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1 4980349 RKCKHGQYTUAAMK-UHFFFAOYSA-N 370.430 4.672 5 50 FJBA CC[N+](C)(C)CCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1 239347151 MFAMZDZNRDRJJE-RUZDIDTESA-N 360.586 5.446 5 50 FJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1 1164868 AYMYBVLHBKEGED-ONNFQVAWSA-N 371.824 4.500 5 50 FJBA O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1Cl 95642830 ALJPGKSDBZFNBR-UHFFFAOYSA-N 353.140 4.728 5 50 FJBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1N=C2c1ccccc1 4018201 HQZVBHYPRAXBHZ-UHFFFAOYSA-N 360.329 4.729 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 4368229 BDVZNXKVGAMAFO-CYBMUJFWSA-N 362.813 4.579 5 50 FJBA Cc1ccc2cccc(OCCCCOc3ccc([N+](=O)[O-])cc3)c2n1 2825216 UYIVJRDTPVZVMZ-UHFFFAOYSA-N 352.390 4.689 5 50 FJBA O=[N+]([O-])c1ccc2o/c(=N/c3ccccc3)c(Nc3ccccc3)nc2c1 18067443 OSQWYROEDCNOBF-LSDHQDQOSA-N 358.357 4.712 5 50 FJBA Cc1c(C(=O)Oc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] 1193029 SKDQMCYGNVJEQB-UHFFFAOYSA-N 363.369 4.701 5 50 FJBA O=[N+]([O-])c1ccc(OCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1 1663830 WRMYGZIKCXNMQO-UHFFFAOYSA-N 360.366 4.521 5 50 FJBA COc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c([N+](=O)[O-])cc1OC 3846760 LQUSKJJTDWCPPE-UHFFFAOYSA-N 357.362 4.595 5 50 FJBA biogenic Cc1ccc(-c2ccncc2)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 2325703150 SZTFQXGAMVKDQX-CMDGGOBGSA-N 359.385 4.617 5 50 FJBA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1Cl 1143523 PXRSGBATEOJJBY-UHFFFAOYSA-N 352.777 4.752 5 50 FJBA O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 846615 IPSLAENAGGEWCR-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA aggregator Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 127855913 ZPGSTXFJGKQLJG-KPZWWZAWSA-N 371.412 4.966 5 50 FJBA CN(c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1)C1CCCCC1 5065284 ABTBRIDDKJDMQY-UHFFFAOYSA-N 353.422 4.616 5 50 FJBA O=c1c(O)c(-c2ccc(N3CCCC3)c(O)c2)oc2c1ccc1ccccc12 169620019 FKXZGHWYWGMSSQ-UHFFFAOYSA-N 373.408 4.625 5 50 FJBA O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](c4ccccc4)C3)n2)cc1 1088395 RMPBIEXPAXNNMR-MRXNPFEDSA-N 351.431 4.712 5 50 FJBA Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 5092936 PMFLVEWINIMRLU-UHFFFAOYSA-N 369.204 4.536 5 50 FJBA Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1 877704 CUQRZNKMKFXHKY-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA CCCCOc1ccc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 253389796 GIPROSSJUFZWHQ-KWOQKUFVSA-N 374.545 4.822 5 50 FJBA biogenic Cc1nn(C(=O)C2CCCCC2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471323 ZMUJKWUQISMGPG-UHFFFAOYSA-N 359.451 4.780 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(F)cccc1Cl 2885165 QDVYSOJCHCGXST-UHFFFAOYSA-N 368.817 4.568 5 50 FJBA CN(C(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 3128278 XFMZJWDJLMGLTJ-UHFFFAOYSA-N 372.377 4.864 5 50 FJBA Cc1ccc(OCCOc2ccc(Cl)c3cccnc23)c([N+](=O)[O-])c1 2863073 JFIHIJFLHGATHT-UHFFFAOYSA-N 358.781 4.563 5 50 FJBA CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2848660 KCONMJMLIIPZRR-QFIPXVFZSA-N 356.381 4.970 5 50 FJBA O=C(O[C@@]12CC[C@H]3CC[C@H]([C@H]4CC[C@H]1C4)[C@H]2C3)c1ccc([N+](=O)[O-])cc1 101140444 PPCQHGLYZSNGKN-FHRUOEJVSA-N 355.434 4.747 5 50 FJBA O=[N+]([O-])c1ccccc1OCCCCCCOc1ccccc1[N+](=O)[O-] 2164717 SYLQXSBOAHXERT-UHFFFAOYSA-N 360.366 4.521 5 50 FJBA O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1 4985025 AZGBDBIJMXJWDC-UHFFFAOYSA-N 368.499 4.546 5 50 FJBA O=[N+]([O-])c1ccccc1OCCCOc1ccc(Cl)c2cccnc12 2862528 YOZWBMOJOXOTBI-UHFFFAOYSA-N 358.781 4.644 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl 1130760 UFLHHCLHKFESNF-UHFFFAOYSA-N 369.204 4.861 5 50 FJBA Cn1ncc2c(-c3ccc(F)c(F)c3)c3oc4cc(O)ccc4c3nc21 252500709 TUKUDIQTSGKPIU-UHFFFAOYSA-N 351.312 4.519 5 50 FJBA CC[C@@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774830 XMCFSFJSVZKHCR-MRXNPFEDSA-N 362.433 4.974 5 50 FJBA CC[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H](CC)c1ccc(O)c([N+](=O)[O-])c1 3122439 BXTFSGKMQHFUMN-ZIAGYGMSSA-N 360.366 4.602 5 50 FJBA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 2980911 CMKZSUJDBRALHK-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Br)c1 1116846 URUHNHPXTMUSOR-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc([N+](=O)[O-])c1 1130843 WKAPRCRCXUUFEF-UHFFFAOYSA-N 371.245 4.774 5 50 FJBA Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] 1166774 OOJUXARLHZEVJC-UHFFFAOYSA-N 358.703 4.828 5 50 FJBA COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 4867875 GUCVNWGHYMUNLT-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] 1230718 XLKZESBSRWJMRW-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA aggregator COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCCC2)cc1 4998248 HSZYLFVTJXCSKV-UHFFFAOYSA-N 369.421 4.600 5 50 FJBA O=C(Oc1ccc2ccccc2c1Br)c1ccccc1[N+](=O)[O-] 673876 OQHJPDDNPDLWCC-UHFFFAOYSA-N 372.174 4.730 5 50 FJBA Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 674491 LCLKRGKFMQQGGM-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=C(/C=C/c1ccccc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 9089877 CQGFSLMRKPPDJE-VMPITWQZSA-N 359.794 4.510 5 50 FJBA Cc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 824700 IQZCFSUADVABDQ-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA CC1=C[C@H](C)[C@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 1745802 BUAJNOTVFDETEE-ONTIZHBOSA-O 372.577 4.855 5 50 FJBA O=C(CCSc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 2531697 YWZGVKYPHBKPIZ-UHFFFAOYSA-N 366.236 4.722 5 50 FJBA CCOc1ccc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 4247226 HAHDLUUCSFNUSK-UHFFFAOYSA-N 374.443 4.578 5 50 FJBA O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4702016 DBWGSGRAHZQPGB-UHFFFAOYSA-N 365.216 4.733 5 50 FJBA Cc1ccccc1NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542670 FXGBRNCDBHCVGI-UHFFFAOYSA-N 350.374 4.735 5 50 FJBA O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 12039527 OUXREEPWQOPTQB-IRLDBZIGSA-N 371.396 4.837 5 50 FJBA Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 1230506 QQMWWQPTBODWOL-UHFFFAOYSA-N 360.413 4.746 5 50 FJBA CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 2813231 QMTQKZNTQJUJIF-WJDWOHSUSA-N 372.402 4.691 5 50 FJBA Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4757878 ZEFAOBACJYOSGP-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 846618 MACRVMWNMHNKFG-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA COc1ccc2c(Cl)c(C(=O)Oc3ccccc3[N+](=O)[O-])sc2c1 674845 VMDLNRLPRKOTFJ-UHFFFAOYSA-N 363.778 4.691 5 50 FJBA COc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2nc1-c1ccccc1 1175592 VEYCKLFQILJJOZ-UHFFFAOYSA-N 357.369 4.881 5 50 FJBA CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 753051 JEHMWSJIBTUVNR-UHFFFAOYSA-N 350.418 4.788 5 50 FJBA Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1 2760177 YZSCPGHNBZEERB-UHFFFAOYSA-N 366.373 4.636 5 50 FJBA COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 1115500 YICYTMOKHJAGCN-VOTSOKGWSA-N 354.189 4.828 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc(Cl)cc1 1117442 QXIVHLJWKDQXPZ-UHFFFAOYSA-N 350.827 4.678 5 50 FJBA CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 1168720 VLIINLMIAPNVAF-UHFFFAOYSA-N 369.808 4.720 5 50 FJBA CCOc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 1185189 UNQYKVLPULYQPK-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-] 1216475 MHIICTNQAAXHAE-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA Cc1cc2ncn(CCCCOc3ccc([N+](=O)[O-])c(C)c3)c2cc1C 4759298 MQYNDVAEVSOHQB-UHFFFAOYSA-N 353.422 4.729 5 50 FJBA O=[N+]([O-])c1ccc(/C=C(Cl)/C=C/c2nc(O)c3ccccc3n2)cc1 334163524 VTSZDUXVOIGRPO-LFZMHEMLSA-N 353.765 4.537 5 50 FJBA COc1ccc([C@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC 718330 ZQNNONMJISFFDL-OAQYLSRUSA-N 363.369 4.608 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 1199898 FWZQUCGTQHJSBQ-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 2530996 PCXRURGPHMKOOH-UHFFFAOYSA-N 357.218 4.632 5 50 FJBA CCOc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 4159132 REXARAOOZXZWFR-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA CCCCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 253389795 GIPROSSJUFZWHQ-BPUDTRNYSA-N 374.545 4.822 5 50 FJBA biogenic O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 1105410 ANFWSLGKKMLBRI-UHFFFAOYSA-N 367.401 4.682 5 50 FJBA CCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 4746302 WLJMWPVIQPIBCG-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 2981809 FLQBSFKZUYZZSQ-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[N+](=O)[O-] 4868346 OYDLGZKQHGHGQH-UHFFFAOYSA-N 368.311 4.653 5 50 FJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 1216462 PQFPFECZJVYLBX-DTQAZKPQSA-N 372.424 4.837 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)O[C@H]1CCCC[C@H]21 15024517 MXJZASFYLXWVPX-QYWGDWMGSA-N 369.417 4.758 5 50 FJBA CC[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)c([N+](=O)[O-])c1 19909197 BXTFSGKMQHFUMN-OKILXGFUSA-N 360.366 4.602 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1cccc2ccccc12 4999238 GEACCJZGEPOWPG-UHFFFAOYSA-N 353.403 4.566 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245380425 YWCQKKGLXGBROQ-HZPIBMMSSA-N 356.422 4.568 5 50 FJBA Cc1cc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 1787149 MJQFWYXSDDPUMW-UHFFFAOYSA-N 362.813 4.663 5 50 FJBA Cc1c(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cccc1[N+](=O)[O-] 3105639 AADCAGZCOWSZNN-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA Cn1ncc2c(-c3ccc4ncccc4c3)c3oc4cc(O)ccc4c3nc21 252485574 GZAYDGQOEFZJSM-UHFFFAOYSA-N 366.380 4.789 5 50 FJBA biogenic CCCNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 4747872 YCRYZSCSEQUPPC-UHFFFAOYSA-N 367.327 4.688 5 50 FJBA O=C(Nc1cccc2cccnc12)c1cc([N+](=O)[O-])cc(Cl)c1Cl 225629682 FUCLHHKFTXETPQ-UHFFFAOYSA-N 362.172 4.702 5 50 FJBA CCCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 4750584 IGPKWQPHDYGPAR-UHFFFAOYSA-N 358.341 4.880 5 50 FJBA COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 1072903 NFPZNAWYRMRAIM-VOTSOKGWSA-N 354.189 4.828 5 50 FJBA O=[N+]([O-])c1cc(F)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 13840549 BIXYRHDRYUXJCP-UHFFFAOYSA-N 360.197 4.850 5 50 FJBA O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)c(CO)n2Cc1ccccc1 2940877 LGDRIQRZHHQBFI-UHFFFAOYSA-N 358.397 4.757 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 655985 JUHNZQFJNJHTSE-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2cccs2)cs1 752641 WDPWYDJSVYJFIX-UHFFFAOYSA-N 356.384 4.553 5 50 FJBA Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 4819226 JPAZNACWNOAZHW-UHFFFAOYSA-N 351.840 4.732 5 50 FJBA O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 100638229 UFNGFEFMQNOYIY-OAQYLSRUSA-N 371.396 4.679 5 50 FJBA Cc1oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C 947173 IZNPWQIBSWGYMU-UHFFFAOYSA-N 369.373 4.794 5 50 FJBA biogenic O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sc2cc(F)ccc2c1Cl 672991 BJGRHJRIHCVMPB-UHFFFAOYSA-N 368.748 4.993 5 50 FJBA CCCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc12 1208795 FWXQJNKEASGINE-UHFFFAOYSA-N 373.792 4.886 5 50 FJBA O=C(OC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1670093 MLAWFYAMSSNCKR-HXUWFJFHSA-N 361.397 4.778 5 50 FJBA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1O 16101892 PGSFRRQICDSXLP-UHFFFAOYSA-N 361.568 4.513 5 50 FJBA O=C(Cc1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1136508 YCKCBJXDGDOQLG-UHFFFAOYSA-N 363.369 4.673 5 50 FJBA Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 1153734 LWHZVTCTWQGFEK-UHFFFAOYSA-N 372.764 4.569 5 50 FJBA CCN(CC)C(=S)Sc1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl 1303897 NGQKQXMJDZEPIL-UHFFFAOYSA-N 372.821 4.986 5 50 FJBA CN(C(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 5064100 ZNMYTADQCITNQH-UHFFFAOYSA-N 353.422 4.616 5 50 FJBA C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4893054 XTUHWVSOZIIDCS-UZNLNLPZSA-N 362.857 4.583 5 50 FJBA Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 1218976 SDWGQSAJWCJSFL-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 672455 MRIOWSSGRZUHQG-JTQLQIEISA-N 369.204 4.616 5 50 FJBA Cc1noc(/C=C/c2ccccc2OCc2ccc(F)cc2)c1[N+](=O)[O-] 4811252 PIMPMFNZIOPWAJ-DHZHZOJOSA-N 354.337 4.780 5 50 FJBA CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 12336358 XEICDQFPQIZZQQ-INIZCTEOSA-N 360.435 4.539 5 50 FJBA COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 9331549 FWSPUDIASWFMHV-UHFFFAOYSA-N 372.384 4.957 5 50 FJBA CCCN(Cc1cc(F)ccc1F)c1nc(C)c([N+](=O)[O-])cc1Cl 2325827882 TUBJTMQQADBAIC-UHFFFAOYSA-N 355.772 4.646 5 50 FJBA CC[C@H](C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 1117263 MGCZWOZZTWQYCL-INIZCTEOSA-N 367.430 4.851 5 50 FJBA Nc1ccc2nc(Sc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 5589316 YJTCZHQBYQDZRW-UHFFFAOYSA-N 360.445 4.548 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)O[C@H]1CCCC[C@@H]21 245226261 MXJZASFYLXWVPX-XFQAVAEZSA-N 369.417 4.758 5 50 FJBA Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 4578217 YGXQUKHZXRQTID-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=[N+]([O-])c1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)ccc1F 6970203 BVWLCDOXEFFXFP-UHFFFAOYSA-N 359.304 4.562 5 50 FJBA Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 1204068 IHJPKYMHZURFGV-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H](c4ccccc4)C3)n2)cc1 1088394 RMPBIEXPAXNNMR-INIZCTEOSA-N 351.431 4.712 5 50 FJBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 5068582 MJOJFQASLXURTR-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)N1CCCCC1 1161301 INKHCEQTAQTFEJ-UHFFFAOYSA-N 360.797 4.667 5 50 FJBA Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 2998398 DZSRQYLHKVZAAP-QPJJXVBHSA-N 351.189 4.862 5 50 FJBA Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 5094503 JSCBYHJIURSMCJ-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 671379 DJYGPKAXMBMPCI-UHFFFAOYSA-N 360.413 4.547 5 50 FJBA O=C(OCc1ccc(F)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1116825 VPGMDIBEKGJKSM-UHFFFAOYSA-N 367.332 4.883 5 50 FJBA C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4893052 XTUHWVSOZIIDCS-NZWMYCLXSA-N 362.857 4.583 5 50 FJBA CC1=C(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)CCC1 5091789 GYXNHFPTMAQNPH-UHFFFAOYSA-N 357.498 4.634 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccc(C(F)(F)F)c2)CCC1 170640095 ORBYDXMUVWKQRG-UHFFFAOYSA-N 364.323 4.674 5 50 FJBA CCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 1072626 HEEDZTWTPPFQGI-VOTSOKGWSA-N 351.761 4.704 5 50 FJBA CCc1cccc(CC)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1F 170597153 LVBPFGFMEPPLCQ-UHFFFAOYSA-N 362.426 4.590 5 50 FJBA O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 5041532 MSNCRQIKLHIXNP-UHFFFAOYSA-N 363.373 4.818 5 50 FJBA CN1C(=O)c2c(cc(Oc3ccccc3)cc2[N+](=O)[O-])Oc2ccccc21 1072353 DCRZIELBVFPZEX-UHFFFAOYSA-N 362.341 4.769 5 50 FJBA Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 4039785 AJPLHSMZISMZRC-UHFFFAOYSA-N 362.385 4.588 5 50 FJBA O=C(OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 2868635 ZXMDTKDMCAQNHF-UHFFFAOYSA-N 355.371 4.696 5 50 FJBA O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 2509173 SOGKJSPCNXABAM-UHFFFAOYSA-N 360.580 4.912 5 50 FJBA CC[N+](CC)(CC)CCCCC[N@+](C)(CC)Cc1cc2ccccc2o1 239297254 DUTWIOAGRGMUTI-DEOSSOPVSA-N 360.586 5.446 5 50 FJBA CSc1ccc(CNCc2c([N+](=O)[O-])ccc(Cl)c2Cl)cc1 2325874738 ZHDPZIJDLDYGQU-UHFFFAOYSA-N 357.262 4.913 5 50 FJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 1173746 RZFHMCZTNFGKJH-FPYGCLRLSA-N 370.714 4.919 5 50 FJBA Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 5094362 KKQGHCJEWNKZPN-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1O 16101890 PZYSPPIZEWHDCR-UHFFFAOYSA-N 361.568 4.513 5 50 FJBA O=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)cc(Cl)c2nonc12 4311644 RLUFQIXKYZZNBM-UHFFFAOYSA-N 359.556 4.835 5 50 FJBA O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 831393 GGENORUFJCRPQJ-IBGZPJMESA-N 363.348 4.505 5 50 FJBA Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)ccc1[N+](=O)[O-] 1065189 AFRSPUGULWVQAO-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=[N+]([O-])c1c(Nc2ccc(Cl)cc2C(F)(F)F)ccc2nonc12 4179527 LYXHWDPGIOMNTM-UHFFFAOYSA-N 358.663 4.547 5 50 FJBA COc1ccc(/C=C(/C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1138223 PCNUPGMVBXRZOH-KGENOOAVSA-N 374.396 4.783 5 50 FJBA O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1000039 PXNDQDDYTGWXNG-UHFFFAOYSA-N 373.821 4.553 5 50 FJBA Cc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 1228897 PLJOTWZVXYTPJU-UHFFFAOYSA-N 364.382 4.800 5 50 FJBA CCCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br 82046489 LRCWFJHWOTYXMB-UHFFFAOYSA-N 357.248 4.891 5 50 FJBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1cnc(Cl)s1 225812605 DEGAHINPXCJTDS-UHFFFAOYSA-N 372.155 4.989 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCC[C@@H]21 245226262 MXJZASFYLXWVPX-ZOCZFRKYSA-N 369.417 4.758 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)[N@]32)cc1 1857524864 UGEZQGGLUOBFLF-XAISMOLKSA-N 373.387 4.661 5 50 FJBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ccccc3o2)c1 1201343 BJDBATBKQRIMMO-UHFFFAOYSA-N 373.368 4.584 5 50 FJBA O=C(c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4701741 HPTNRDSWQUMYKQ-UHFFFAOYSA-N 365.216 4.733 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=N[C@H](c4ccccc4)N32)cc1 42784428 MMPJPLZUJANSCC-URKHTJIESA-N 355.397 4.522 5 50 FJBA O=c1ccc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2o1 1213272 KMGGHDOQCQQFIB-UHFFFAOYSA-N 351.236 4.512 5 50 FJBA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1 1215891 LLTQFQPUBFEMKP-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 1140433 DFZILQLNWQOXIN-UHFFFAOYSA-N 368.201 4.764 5 50 FJBA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 15799523 HLAYNLLKRCZJHM-QHHAFSJGSA-N 355.152 4.693 5 50 FJBA O=C(NCc1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 4839771 CRAIMVYTOKKVCM-UHFFFAOYSA-N 372.764 4.564 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)c2ccccc2c1O 2841123 MLIXXTQKHWNRCZ-UHFFFAOYSA-N 356.765 4.668 5 50 FJBA O=[N+]([O-])c1ccc(COCC2C3=CC=CC=C2CCCC3)c([N+](=O)[O-])c1 45070458 YELYFPXZXLMCEM-UHFFFAOYSA-N 356.378 4.632 5 50 FJBA Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 4706752 IMKPEFRPVDMFIF-UHFFFAOYSA-N 353.422 4.536 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 656150 BIMJJLFFSNQCEF-BQYQJAHWSA-N 351.189 4.862 5 50 FJBA CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1 4187451 IRJLOMJIIDVOPE-UHFFFAOYSA-N 367.449 4.790 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1)C1CCCCC1 4955204 AMFZJFIBJFRLBU-UHFFFAOYSA-N 373.453 4.632 5 50 FJBA CCCCN(C(=O)c1cccc2ccccc12)[C@H]1CC2CC[N+]1(C)CC2 6778375 DXBQVUWOKOMXII-WOVMLBJDSA-N 351.514 4.669 5 50 FJBA O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 1153563 QSUVFNPJKQQCNE-LJQANCHMSA-N 363.348 4.505 5 50 FJBA O=C(O)/C=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4106727 IRUSGBYUQMLOHR-QPJJXVBHSA-N 353.252 4.504 5 50 FJBA Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-] 1217690 OEYJCVXWZLCGOO-UHFFFAOYSA-N 360.413 4.746 5 50 FJBA COC(=O)c1ccc(COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 5921525 XBNWRWALJRFGCQ-UHFFFAOYSA-N 374.392 4.620 5 50 FJBA CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 13329025 WQCOCZRSXDGJHD-AWEZNQCLSA-N 363.801 4.530 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 682605 YZCPIVJFUOCTLD-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA CN(Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774821 DPDLOPIWFGQFOR-UHFFFAOYSA-N 370.412 4.841 5 50 FJBA O=C(Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1Br 1204269 LTWGSDLYEJKDAU-UHFFFAOYSA-N 371.190 4.763 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 1053025 LGVYIRSFIVVTGY-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 1116731 YGUUYHAPBPDSIB-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 2840831 ZCOONVTYANADQI-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA CC(=O)c1cc(N2CCC[C@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] 225815846 PDQTXDZQNCBOHI-KRWDZBQOSA-N 367.430 4.749 5 50 FJBA O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccccc3c2N1 853766 YCNJFNRSARUTEH-OAHLLOKOSA-N 352.777 4.876 5 50 FJBA aggregator O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1 1173814 BFCSSIHHEBSWTN-UHFFFAOYSA-N 360.728 4.900 5 50 FJBA c1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 85859321 IIRYXZKXMAAGME-UHFFFAOYSA-N 353.469 4.710 5 50 FJBA O=C(c1cccc([N+](=O)[O-])c1)n1cnc(-c2ccccc2)c1-c1ccccc1 828234733 SLNHZSOCZLQTCV-UHFFFAOYSA-N 369.380 4.814 5 50 FJBA O=C(Nc1nc(-c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1Cl 18137645 WPNWRJLKJMUBHD-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA Cc1ccc([C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 480584432 SXNJXUHHBOPICH-KRWDZBQOSA-N 354.797 4.548 5 50 FJBA Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cccc(Cl)c1 937359 RXNLTUHZPQCBJP-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 55544112 RRFJSZLWUJGQBF-UHFFFAOYSA-N 373.456 4.584 5 50 FJBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCCC2)c1 4998200 PCYOZUZRKNDSNX-UHFFFAOYSA-N 353.422 4.900 5 50 FJBA aggregator O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 1147077 JTQZCRTVHATPKT-SOFGYWHQSA-N 370.714 4.919 5 50 FJBA Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 834111 CHCDVKOMSUQHRP-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 1117608 ASLFXSGVFVMUGQ-UHFFFAOYSA-N 359.769 4.612 5 50 FJBA Cc1ccccc1-c1nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2o1 1218904 HJPZFDRYOIKOKR-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCCCC1 1127709 ACRDNASHOTUMTR-UHFFFAOYSA-N 360.797 4.667 5 50 FJBA O=C1c2ccccc2N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 1158406 HMQZHXWYVXYSSK-FFXXTYGZSA-N 371.396 4.707 5 50 FJBA CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 13329023 WQCOCZRSXDGJHD-CQSZACIVSA-N 363.801 4.530 5 50 FJBA O=C(Nc1ccccc1Sc1ccccc1)c1cccc([N+](=O)[O-])c1 1121678 PFDKVXHQNWOFNM-UHFFFAOYSA-N 350.399 4.998 5 50 FJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 873268 KBIRJWKSSXBJCY-UHFFFAOYSA-N 350.758 4.854 5 50 FJBA O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 4176362 ZNEYGLAZDUIVFI-UHFFFAOYSA-N 357.218 4.632 5 50 FJBA O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 846619 XSRRFQZWBSKEAK-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccccc1 1116437 FUHZVPQODRHGBK-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=[N+]([O-])c1ccc(/C(=C/c2ccc(-c3ccccc3)o2)[n+]2ccccc2)o1 6864595 LYOLIUDMSCIVKC-SDXDJHTJSA-N 359.361 4.782 5 50 FJBA O=C(Nc1ccc(Sc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 2873362 DLHAMQYDAVXHOK-UHFFFAOYSA-N 350.399 4.998 5 50 FJBA O=c1c([N+](=O)[O-])c(Nc2ccccc2)c2ccccc2n1-c1ccccc1 3953368 WAZNQIJNVSRLCB-UHFFFAOYSA-N 357.369 4.643 5 50 FJBA Cc1ccc(-c2cc(C)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 4827501 OWFGOUCSWZIOFS-UHFFFAOYSA-N 365.414 4.632 5 50 FJBA Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 13880534 QXXCVFLENAKGOM-SOFGYWHQSA-N 351.189 4.862 5 50 FJBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 2857496 NCHLXKQJXOEZJZ-UHFFFAOYSA-N 373.768 4.659 5 50 FJBA O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 832252 OJRAOZCCONZZOR-UHFFFAOYSA-N 359.341 4.520 5 50 FJBA CCCCc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 2853969 LSCBVRSMYICWIM-UHFFFAOYSA-N 358.463 4.809 5 50 FJBA O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)cc(Cl)c2nonc12 3879052 WQCBARXAANSAAQ-UHFFFAOYSA-N 358.663 4.547 5 50 FJBA Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] 753273 YREDMTMNVZONGP-UHFFFAOYSA-N 358.703 4.828 5 50 FJBA C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc([N+](=O)[O-])cc1 1121267 BGHOFMKPUUMMJT-NSHDSACASA-N 374.849 4.996 5 50 FJBA COc1ccccc1OCCn1c2ccccc2c2nc3ccccc3nc21 1130500 PDFSUEKOHCABMY-UHFFFAOYSA-N 369.424 4.825 5 50 FJBA COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)C3CCCCC3)ccc12 1167388 FTTKOABBIYDIFA-UHFFFAOYSA-N 366.413 4.749 5 50 FJBA Cc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 726844 VICIFQJIHMPHCR-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2ccccc2)cc1 832781 ZDRWRJBYJUWZSD-UHFFFAOYSA-N 362.385 4.588 5 50 FJBA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4368203 BRMKPPSQKHMZPF-HNNXBMFYSA-N 362.385 4.668 5 50 FJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 1170567 COCLPEAJXNBQNC-UHFFFAOYSA-N 366.348 4.565 5 50 FJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)NN32)c1 215940524 JHBBRCDFRDNVNA-URVUXULASA-N 373.412 4.679 5 50 FJBA Cc1oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2c1C(=O)OC(C)C 942832 YVVZBCBWFTXOCK-UHFFFAOYSA-N 369.373 4.794 5 50 FJBA biogenic COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 1158844 QBXYYQLSJSKXPM-XVNBXDOJSA-N 367.188 4.562 5 50 FJBA O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 100638235 UFNGFEFMQNOYIY-NRFANRHFSA-N 371.396 4.679 5 50 FJBA Cc1ccc([N+](=O)[O-])c(OCCCN2CCC(Cc3ccccc3)CC2)c1 2880847 WOWRJXYZJITKFL-UHFFFAOYSA-N 368.477 4.627 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1-c1ccccc1 4802242 DRJJWLAPWUSJMJ-UHFFFAOYSA-N 368.414 4.893 5 50 FJBA CCOc1cc2c(C(=O)O)cc3ccc(OC)c(OCC)c3c2cc1OC 205363988 NGCDMXCVWVHPMJ-UHFFFAOYSA-N 370.401 4.506 5 50 FJBA O=C(OCc1ccccc1F)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1074347 OLXRJENDRQJGRZ-UHFFFAOYSA-N 367.332 4.883 5 50 FJBA O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)c2ccc3ccccc3c2N1 1082028 CBYXPVWJTRRFKY-HNNXBMFYSA-N 352.777 4.876 5 50 FJBA COc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 3130024 XIILVDCKGAAZNI-UHFFFAOYSA-N 372.384 4.518 5 50 FJBA O=C(c1ccccc1)c1ccc(NCc2cnc(Cl)s2)c([N+](=O)[O-])c1 225812627 GVLNCIGAWGKJFE-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA COc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 5041911 GIEMBFHYEQNGCP-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA Cc1ccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 1168489 ONMCLOAFJKURGZ-UHFFFAOYSA-N 358.393 4.825 5 50 FJBA CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3ccncc3)cc2)s1 2325731841 WZZHNKGPORYQHW-UHFFFAOYSA-N 353.403 4.533 5 50 FJBA CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C)C 1144307 VHOBVYPCCPUPDA-OALUTQOASA-N 354.406 4.700 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C\c1ccccc1)c1ccccc1 4679488 HOYMZLZFBNBHJZ-RGEXLXHISA-N 374.396 4.783 5 50 FJBA COP(=O)(OC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 3877411 PJLFIPIRZBUGGI-OAHLLOKOSA-N 370.729 4.845 5 50 FJBA O=[N+]([O-])c1ccc(COc2ccc(/C=C3/SC(=S)N=C3O)cc2)cc1 978891 SIGWPJUKXAQMSQ-OQLLNIDSSA-N 372.427 4.503 5 50 FJBA COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1145402 MAOMQQLHUHQQCD-RCCKNPSSSA-N 374.396 4.783 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2ccccc2c1Cl 4076454 JHWRWEPXMXSMLU-UHFFFAOYSA-N 362.794 4.724 5 50 FJBA O=[N+]([O-])c1c(Nc2cc(C(F)(F)F)ccc2Cl)ccc2nonc12 4179526 ZATYFGZTKRYKTK-UHFFFAOYSA-N 358.663 4.547 5 50 FJBA O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4006264 SWTQRWOZBPPONM-RBBKRZOGSA-N 371.396 4.837 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccccc2)o1 4291944 YBKLFYZOQUUZCK-UHFFFAOYSA-N 354.387 4.732 5 50 FJBA COc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 4427370 OFUOEGQNHUFNKF-OAQYLSRUSA-N 373.412 4.959 5 50 FJBA O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 1141315 KMUTVVGNPYFYBC-UHFFFAOYSA-N 354.406 4.660 5 50 FJBA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4758977 AUTWRLWUAGTDOQ-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA CCCn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc2ccccc21 1084624 CFNBYVWVBRWVMZ-UHFFFAOYSA-N 367.434 4.523 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cc(F)c(F)cc1Cl 4845372 TZQXSPTVADXGHB-UHFFFAOYSA-N 362.719 4.932 5 50 FJBA CCOc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 4893824 NHAURVKBLDGWGD-KPKJPENVSA-N 354.406 4.769 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1cccc([N+](=O)[O-])c1)O[C@@H]1CCCC[C@H]21 15024520 XQYSWHWKNJFTCV-MRUHUIDDSA-N 369.417 4.758 5 50 FJBA O=[N+]([O-])C1=Cc2cc(Br)ccc2O[C@H]1c1ccccc1Cl 1119464 JLDRGJHZCVXNKN-HNNXBMFYSA-N 366.598 4.854 5 50 FJBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 2864882 VVVVXYLFKKTFMQ-UHFFFAOYSA-N 369.421 4.530 5 50 FJBA O=c1oc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nc2ccccc12 712371 RMUIXUAFAXYEPT-UHFFFAOYSA-N 360.325 4.556 5 50 FJBA CCOc1ccc(Oc2cc(NC(=O)c3ccco3)cc([N+](=O)[O-])c2)cc1 1196457 AZPVKDJNCVXYRC-UHFFFAOYSA-N 368.345 4.631 5 50 FJBA aggregator COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 1820705 JJFIWVZMHJGWFD-UHFFFAOYSA-N 372.384 4.957 5 50 FJBA O=[N+]([O-])c1ccc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2c1 4342273 IPRFGPSGAINQMW-UHFFFAOYSA-N 370.412 4.745 5 50 FJBA C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 9090865 FGXGVANOPWXBHB-LBPRGKRZSA-N 371.780 4.644 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 1021576 MJDDNQAIIKMTGR-QZTJIDSGSA-N 352.434 4.943 5 50 FJBA CCCCOC(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1753535 GBKOXWKKPFMCMM-UHFFFAOYSA-N 371.393 4.504 5 50 FJBA CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 828383 DHNSZPCCFNKOHQ-UHFFFAOYSA-N 350.418 4.788 5 50 FJBA COc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 4053775 RFYINZRSCPTORE-UHFFFAOYSA-N 360.719 4.888 5 50 FJBA CC1=C[C@H](C)[C@@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 169312983 BUAJNOTVFDETEE-JAXLGGSGSA-O 372.577 4.855 5 50 FJBA CCn1c2ccccc2c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 2154907 WYEWIVNBRDGDKY-UHFFFAOYSA-N 359.385 4.975 5 50 FJBA O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 12039524 OUXREEPWQOPTQB-UNMCSNQZSA-N 371.396 4.837 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 5066697 MERNKWGZFZQNCV-UHFFFAOYSA-N 366.373 4.733 5 50 FJBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)ccc1Cl 985303 OMBUBOJITAHRDQ-UHFFFAOYSA-N 368.201 4.764 5 50 FJBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1F 4542789 NMGYGRADLHKSEN-RMKNXTFCSA-N 370.311 4.785 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245380424 YWCQKKGLXGBROQ-HIVMJAFUSA-N 356.422 4.568 5 50 FJBA O=C1c2ccccc2N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 1158404 HMQZHXWYVXYSSK-NKSQBSFPSA-N 371.396 4.707 5 50 FJBA C/C=C/c1ccc(OCCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 2987095 YHFYRLKPRMKXTC-GQCTYLIASA-N 357.406 4.793 5 50 FJBA Cc1ccccc1NC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 4868539 CLFLCRQHLMOGKZ-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1172467 HSGCHLRRBFRPSE-LBPRGKRZSA-N 371.462 4.544 5 50 FJBA C[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc([N+](=O)[O-])cc1 1121268 BGHOFMKPUUMMJT-LLVKDONJSA-N 374.849 4.996 5 50 FJBA Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 1228714 PCCPPSUYTALLAO-UHFFFAOYSA-N 364.376 4.889 5 50 FJBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 2852877 QVAITSDDRCWCKK-UHFFFAOYSA-N 364.426 4.927 5 50 FJBA CCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4056327 YCMKRSHXYCDEOQ-KPKJPENVSA-N 354.406 4.734 5 50 FJBA Clc1ccc(-c2nc3sc4nc5ccccc5nc4n3n2)c(Cl)c1 793491 SLXFDJVVWUJSRU-UHFFFAOYSA-N 372.240 4.861 5 50 FJBA O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1 954359 GCODLXIRTSJYCR-UHFFFAOYSA-N 367.430 4.708 5 50 FJBA CCOc1ccc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 834827 KJVQBSAZWZGIHL-UHFFFAOYSA-N 374.443 4.578 5 50 FJBA CCOC(=O)c1sc(Nc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 943150 SCQPLKUYPKACQW-UHFFFAOYSA-N 369.402 4.639 5 50 FJBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 4014314 KEWUOOGKJGJFBX-UHFFFAOYSA-N 361.401 4.768 5 50 FJBA COc1ccc(Nc2cc(C)nc3c(C)cc(C)c([N+](=O)[O-])c23)cc1OC 1204595 QCKYRFHQSSRUCK-UHFFFAOYSA-N 367.405 4.829 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 4689088 NQJKIQNPYDPCMS-UHFFFAOYSA-N 362.385 4.735 5 50 FJBA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1C 1218438 DEMQIPZNJSEFTP-UHFFFAOYSA-N 371.780 4.772 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)C(c1ccccc1)c1ccccc1 668142 QZONTYMFLSRFHT-UHFFFAOYSA-N 350.349 4.505 5 50 FJBA CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4491423 MRGLZZAMVHSBAB-CQSZACIVSA-N 373.459 4.714 5 50 FJBA O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCO[C@H]3c3ccccc3)ccc2c1 170593765 LZPGKABKDDLGBN-UWJYYQICSA-N 363.417 4.723 5 50 FJBA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 766497 MXFUIUPCZDUIPC-FQEVSTJZSA-N 359.385 4.674 5 50 FJBA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 935600 MKCCMOGXMOCDRL-HNNXBMFYSA-N 362.385 4.668 5 50 FJBA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 834106 AKCSCSVJCSVDMT-UHFFFAOYSA-N 366.804 4.768 5 50 FJBA Cc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1[N+](=O)[O-] 2982300 MZIITEDKEGAKJM-UHFFFAOYSA-N 363.211 4.535 5 50 FJBA COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 4765154 KFKOKKZUUHGXQL-JOCHJYFZSA-N 373.412 4.959 5 50 FJBA CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OC)cc1 44857472 WYALRXZJYXWYGR-UHFFFAOYSA-N 353.374 4.923 5 50 FJBA O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccco1 1108213 AJUYTQIVGPDQES-UHFFFAOYSA-N 373.748 4.991 5 50 FJBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccccc12 4750039 UWJLPBACPZTCQN-UHFFFAOYSA-N 364.279 4.921 5 50 FJBA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1172466 HSGCHLRRBFRPSE-GFCCVEGCSA-N 371.462 4.544 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 2858240 PMJUYFSFXWILEO-UHFFFAOYSA-N 359.691 4.911 5 50 FJBA Cc1nc(-c2ccc(CCNc3ncc([N+](=O)[O-])cc3Cl)cc2)cs1 170633253 ZNBHTJHRQPXLJG-UHFFFAOYSA-N 374.853 4.730 5 50 FJBA Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)ccc1[N+](=O)[O-] 1166268 FHCMARRCZRBAGC-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 1151612 QLASCUYEQPFRJL-QPJJXVBHSA-N 351.189 4.862 5 50 FJBA O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)o1 1059331 DMZYCCCZIAEYLB-UHFFFAOYSA-N 357.749 4.900 5 50 FJBA O=[N+]([O-])c1cccc(OCCCCCCOc2cccc([N+](=O)[O-])c2)c1 2164824 KFTGSVDTJQVUSL-UHFFFAOYSA-N 360.366 4.521 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 950167 XQYCYFZQTSWJHK-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA CC[N+](C)(C)CCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1 239347152 MFAMZDZNRDRJJE-VWLOTQADSA-N 360.586 5.446 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C 959522 FIZFZHPWVKYLRN-UHFFFAOYSA-N 353.403 4.587 5 50 FJBA COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4771221 SBVIZXOIAWJFGJ-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 4706685 IIXHEIMQHXKGPC-UHFFFAOYSA-N 361.401 4.768 5 50 FJBA O=[N+]([O-])c1cc(CN2CCC3(C=Cc4ccccc43)CC2)ccc1Cl 4983936 RYRTYDLGIXQGGW-UHFFFAOYSA-N 354.837 4.809 5 50 FJBA CC(C)(C)NC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1386938 WDIGMOOEZLXBPR-UHFFFAOYSA-N 364.854 4.928 5 50 FJBA O=C(NC1CCCCC1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 4832209 FKGOWLNJNYBJEJ-UHFFFAOYSA-N 356.447 4.809 5 50 FJBA C[C@H](c1ccccc1)[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 4364521 JDFNXYLSSCARAW-FGCOXFRFSA-N 366.525 4.733 5 50 FJBA COc1ccc(N(C)C(=O)c2cc3ccccc3c3cccnc23)cc1F 225467993 CWPUSFAFDWLGOK-UHFFFAOYSA-N 360.388 4.812 5 50 FJBA Cc1cc(OCC(=O)c2ccc(F)cc2)cc2oc(=O)c3ccccc3c12 2840705 IECBBMHQGLARMS-UHFFFAOYSA-N 362.356 4.655 5 50 FJBA C[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 1121975 HPFASIGBGBBPJT-ZDUSSCGKSA-N 357.479 4.940 5 50 FJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Cl 939941 CVARYKFLTWUTBN-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA Nc1c(C(=O)Nc2ccccc2)sc2ncc3cc4ccccc4nc3c12 1096505 NBOKZEZPIFASBZ-UHFFFAOYSA-N 370.437 4.832 5 50 FJBA Cc1ccc(C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-] 100317315 MEJHJEXJWUTGCI-QJRTVWDNSA-N 350.256 4.889 5 50 FJBA O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N=C3O)o2)c1 973694 YCQNONXHICAOQA-WUXMJOGZSA-N 366.807 4.837 5 50 FJBA Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1150382 FWHHTIONWYIQRO-UHFFFAOYSA-N 370.792 4.997 5 50 FJBA CC(=O)Nc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 755214 GLYYZNJPUIIQTA-UHFFFAOYSA-N 362.385 4.799 5 50 FJBA CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 4790208 OMFJGVXCJITUOQ-QZTJIDSGSA-N 372.377 4.632 5 50 FJBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C(C)(C)C)c1 942350 BHDHMGIFBRAKOG-UHFFFAOYSA-N 356.422 4.527 5 50 FJBA COc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc(OC)c1OC 640269 HXRGYQMZSNYIEW-UHFFFAOYSA-N 362.381 4.639 5 50 FJBA CCN(CC)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21 978705 UDCCETPAMRECQX-UHFFFAOYSA-N 362.433 4.593 5 50 FJBA CCN(CC)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 4757728 KLBQXEOZWHUXJT-UHFFFAOYSA-N 361.829 4.655 5 50 FJBA CC(C)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 1182710 YZNCMBQCCLPQHF-SXGWCWSVSA-N 372.402 4.547 5 50 FJBA O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCO[C@H]3c3ccccc3)ccc2c1 170593768 LZPGKABKDDLGBN-UTKZUKDTSA-N 363.417 4.723 5 50 FJBA C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4694046 WFONAKVSUCCKGU-NZWMYCLXSA-N 362.857 4.583 5 50 FJBA CCCCc1cc(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12 2817954 WHUBJWLBBKTLNK-UHFFFAOYSA-N 367.401 4.931 5 50 FJBA CC1(C)Cc2c(cnn2-c2ccc([N+](=O)[O-])cc2)-c2[nH]c3ccccc3c21 752174 YTBHACGOFAWQJD-UHFFFAOYSA-N 358.401 4.763 5 50 FJBA CC(=O)n1cc([C@@H](C[N+](=O)[O-])SCc2ccccc2)c2ccccc21 1234755 KANSZVHXVDUCCT-LJQANCHMSA-N 354.431 4.553 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c(Cl)c1 1142372 OBJGWBJTJXNPRS-UHFFFAOYSA-N 350.161 4.542 5 50 FJBA COc1ccc(-c2ccc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 5033882 UCKIMDDCJAHIPS-UHFFFAOYSA-N 373.368 4.987 5 50 FJBA O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1Cl 959454 XLFZWMMNIMIAJY-UHFFFAOYSA-N 358.202 4.599 5 50 FJBA O=C(Nc1ccccn1)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 1158126 VCFVLHUBYLRGSR-UHFFFAOYSA-N 357.435 4.667 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 12381650 WGUSCVJBHWXHBM-KPKJPENVSA-N 354.406 4.553 5 50 FJBA O=[N+]([O-])c1cccc(-c2nc3ccccc3n2-c2cccc([N+](=O)[O-])c2)c1 34133882 PULXTLHDHWLXHP-UHFFFAOYSA-N 360.329 4.509 5 50 FJBA Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc([N+](=O)[O-])o2)cc1 1175324 FDZOTCZVXPWTMU-UHFFFAOYSA-N 363.417 4.830 5 50 FJBA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4867929 FNTREKDQTGSRKR-UHFFFAOYSA-N 368.311 4.653 5 50 FJBA CC(C)CC1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 239338664 KXFJXGLGHUUOGC-ICSRJNTNSA-N 351.406 4.835 5 50 FJBA Cn1ncc2c(C3=Cc4ccccc4OC3)c3oc4cc(O)ccc4c3nc21 253403161 GYZUGWVTRZBTGK-UHFFFAOYSA-N 369.380 4.506 5 50 FJBA biogenic Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 127856128 ZPGSTXFJGKQLJG-XIKOKIGWSA-N 371.412 4.966 5 50 FJBA O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 831394 GGENORUFJCRPQJ-LJQANCHMSA-N 363.348 4.505 5 50 FJBA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4368204 BRMKPPSQKHMZPF-OAHLLOKOSA-N 362.385 4.668 5 50 FJBA O=C(Nc1nc(-c2cccs2)cs1)c1cc([N+](=O)[O-])ccc1Cl 1196916 ZRHAELBJERHTAN-UHFFFAOYSA-N 365.823 4.686 5 50 FJBA CCCc1cc(-c2nc(-c3ccc(OC)c([N+](=O)[O-])c3)cs2)ccn1 4837789 VJXLUKFPWURINS-UHFFFAOYSA-N 355.419 4.741 5 50 FJBA C[C@H](c1ccccc1)[C@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 4364530 JDFNXYLSSCARAW-QDSKXPNFSA-N 366.525 4.733 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)C1c2ccccc2Oc2ccccc21 4600291 AUEHLJOZYKFBPI-UHFFFAOYSA-N 360.369 4.780 5 50 FJBA Cc1ccn2c(-c3csc(Nc4ccc([N+](=O)[O-])cc4)n3)c(C)nc2c1 4702222 AZURVZDJGYCEBU-UHFFFAOYSA-N 365.418 4.726 5 50 FJBA Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5028005 HGVKLPAUFAUWKQ-UHFFFAOYSA-N 373.840 4.799 5 50 FJBA O=C(Cc1ccc(F)cc1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 1226291 UALNMJHIYQGMTE-UHFFFAOYSA-N 366.348 4.707 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1Cl 2850552 JQAVVSQBJOUHHI-UHFFFAOYSA-N 369.602 4.571 5 50 FJBA O=c1c2ccccc2c(Br)c(Br)c2ccccc12 1586018 RALNTXVWKBRYDU-UHFFFAOYSA-N 364.036 4.878 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1-c1ccccc1 5060984 YXOPANIPHKYDLE-UHFFFAOYSA-N 363.373 4.914 5 50 FJBA O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@H]3c3cccnc3)o2)cc1 22078458 XZOZUCFYZXXYTG-FQEVSTJZSA-N 363.417 4.977 5 50 FJBA CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2ccc(OCc3ccccc3)cc21 261493540 DDLBWCOPZGHZSX-UHFFFAOYSA-N 368.389 4.912 5 50 FJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2ccccc2o1 950491 PQCDMKRDTWYMDG-UHFFFAOYSA-N 365.370 4.717 5 50 FJBA CCOC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1N 1001505 LPZVWZGDPOEGFC-UHFFFAOYSA-N 374.443 4.720 5 50 FJBA O=C(CCSc1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl 1116191 ZRCLDLOQQOGULG-UHFFFAOYSA-N 369.801 4.613 5 50 FJBA O=C(Nc1cccc2cccnc12)c1cc2c(ccc3ccccc32)oc1=O 1158997 OMSIICQPJOWKFF-UHFFFAOYSA-N 366.376 4.747 5 50 FJBA O=[N+]([O-])c1c(Nc2ccccc2Cl)cc(N2CCCCC2)c2nonc12 4364594 DPROEFWCXYSNRY-UHFFFAOYSA-N 373.800 4.518 5 50 FJBA COc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 4427368 OFUOEGQNHUFNKF-NRFANRHFSA-N 373.412 4.959 5 50 FJBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 19880639 SWTQRWOZBPPONM-UNMCSNQZSA-N 371.396 4.837 5 50 FJBA CC(=O)c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] 225815818 PDQTXDZQNCBOHI-QGZVFWFLSA-N 367.430 4.749 5 50 FJBA O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)cc1 2026415 JQNMIMZTHRBPOB-UHFFFAOYSA-N 360.329 4.509 5 50 FJBA Cc1ccc(-c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 945326 XEHIWJJHRXAVTM-UHFFFAOYSA-N 362.385 4.588 5 50 FJBA Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cccc1[N+](=O)[O-] 2979671 XBSPEFWDRGLQSZ-UHFFFAOYSA-N 372.384 4.699 5 50 FJBA C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C1 4998319 YTRKQMNAQKDXMU-CYBMUJFWSA-N 373.840 4.737 5 50 FJBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)c1 1179253 RCWJYZWUYMMYPN-UHFFFAOYSA-N 366.160 4.531 5 50 FJBA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 828032 DZHGSASWYUBVBF-UHFFFAOYSA-N 372.384 4.699 5 50 FJBA CC[C@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774828 XMCFSFJSVZKHCR-INIZCTEOSA-N 362.433 4.974 5 50 FJBA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1 821778 AULYOUJWFDJHMR-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 865545 HJJIPIKFFANING-UHFFFAOYSA-N 374.396 4.695 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1cccc([N+](=O)[O-])c1)O[C@H]1CCCC[C@@H]21 245226452 XQYSWHWKNJFTCV-XFQAVAEZSA-N 369.417 4.758 5 50 FJBA Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1140182 RPYFVVXNBCWSFC-QPJJXVBHSA-N 351.189 4.862 5 50 FJBA O=[N+]([O-])c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)ccc1Cl 5019881 FKENIGOKKPKWMD-UHFFFAOYSA-N 350.161 4.542 5 50 FJBA O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 32634435 CSWKNVVBJUHCLS-BENRWUELSA-N 352.321 4.646 5 50 FJBA CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccccc1)c1cc([N+](=O)[O-])ccc1-2 4533185 HNMIUXWGTUMRML-QHCPKHFHSA-N 372.424 4.631 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245380426 YWCQKKGLXGBROQ-IMTPOMJSSA-N 356.422 4.568 5 50 FJBA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 1773671 RSTZUWXIJXDRMS-UHFFFAOYSA-N 369.204 4.699 5 50 FJBA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4680111 UHIHXEJHVHIUTM-UHFFFAOYSA-N 369.204 4.698 5 50 FJBA O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCO[C@@H]3c3ccccc3)ccc2c1 170593763 LZPGKABKDDLGBN-LAUBAEHRSA-N 363.417 4.723 5 50 FJBA COc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4858608 NCZPHCJBHBPWQT-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA Cc1c(C(=O)Oc2ccc3c(c2)[C@H](C)CC(C)(C)N3)cccc1[N+](=O)[O-] 1181067 GZHSKNPATISCSE-GFCCVEGCSA-N 354.406 4.820 5 50 FJBA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cccc([N+](=O)[O-])c1 2858838 UOYKYONPVWNCNY-UHFFFAOYSA-N 359.451 4.710 5 50 FJBA Cc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c1 1172795 QZHIYGXIFIGQQS-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 4838562 GIQVONWTGMJTBZ-UHFFFAOYSA-N 368.311 4.653 5 50 FJBA O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2ccc3ccccc3c2N1 1082027 CBYXPVWJTRRFKY-OAHLLOKOSA-N 352.777 4.876 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 1233164 DAKVMZVTCYTWIG-HXUWFJFHSA-N 358.397 4.540 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 16996519 AIYTXKQRLOOTCX-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA CC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(C)cc3)nn21 1175910 TUKDXQCRNMUBJO-UHFFFAOYSA-N 366.424 4.970 5 50 FJBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1 4873460 UAGSFSWXFFAHBZ-UHFFFAOYSA-N 353.422 4.536 5 50 FJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 1176207 DSFMDIPNKWOVNA-UHFFFAOYSA-N 366.348 4.565 5 50 FJBA Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 1216371 JXVYUOWUKONKKE-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(Cl)c1O 4014131 MNCDXBIGADXSNN-UHFFFAOYSA-N 361.568 4.513 5 50 FJBA in-vitro O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC2c3ccccc3C1c1ccccc12 4322220 OZRSFUSSGGQCEA-GSVIPDFHSA-N 370.408 4.831 5 50 FJBA N=c1oc2ccc3ccccc3c2cc1C(=O)NCc1ccc(Cl)cc1 17074673 OKJVVRIXGMJSFK-UHFFFAOYSA-N 362.816 4.649 5 50 FJBA Cc1cc2c(cc1C)[n+](Cc1ccc([N+](=O)[O-])cc1)cn2Cc1ccccc1 4542237 RFTVLUVLPIIVRJ-UHFFFAOYSA-N 372.448 4.550 5 50 FJBA CCc1nc([C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cs1 170624852 TXOAQXYLQPSNPX-ZDUSSCGKSA-N 361.470 4.898 5 50 FJBA Cc1ccc(COn2c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc32)cc1 3063690 BYFBFHALNZEKSR-UHFFFAOYSA-N 359.385 4.549 5 50 FJBA C[C@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1cc(Br)ccc1O3 4770048 YLGMNLNIVPDRAX-MRVPVSSYSA-N 360.163 4.785 5 50 FJBA O=C(Oc1ccc2ccccc2c1Br)c1cccc([N+](=O)[O-])c1 673877 LBQUGNFDJPWGTJ-UHFFFAOYSA-N 372.174 4.730 5 50 FJBA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4827858 KPCIMPCCUXSMEL-SNVBAGLBSA-N 369.204 4.616 5 50 FJBA COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 4867296 LTTGWNQHWXYKSC-UHFFFAOYSA-N 372.764 4.769 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 2164775 TTXHUJLSUGTFBS-UHFFFAOYSA-N 361.401 4.829 5 50 FJBA CCOC(=O)C(Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC 5325097 XTRDWMDSBFZBSY-UHFFFAOYSA-N 374.436 4.869 5 50 FJBA O=C1OC(=C(c2ccc(CCc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 2049406304 ANITZGTZZRCLDR-UHFFFAOYSA-N 371.392 4.745 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1233163 DAKVMZVTCYTWIG-FQEVSTJZSA-N 358.397 4.540 5 50 FJBA C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 38141346 FGXGVANOPWXBHB-GFCCVEGCSA-N 371.780 4.644 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCc2ccccc2)cc1 1180348 GQBZCSOMMNVTEY-UHFFFAOYSA-N 366.348 4.565 5 50 FJBA CSc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 43190919 UERPSHJFDZZTAJ-UHFFFAOYSA-N 357.218 4.876 5 50 FJBA CC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1 1466531211 ORXDCSTUMZETEX-HNNXBMFYSA-N 357.797 4.611 5 50 FJBA CC(C)(C)OC(=O)N[C@@H](Cc1c2ccccc2cc2ccccc12)C(=O)O 2567254 GYXDEFFXDFOZMJ-IBGZPJMESA-N 365.429 4.513 5 50 FJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1 1158905 LYTYKYRMBOWQKM-QHHAFSJGSA-N 355.152 4.693 5 50 FJBA O=Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 1100052 WUVKWXGJVLVTTM-UHFFFAOYSA-N 371.352 4.810 5 50 FJBA CCOc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1145373 UNWCHFYXLBHKIJ-UHFFFAOYSA-N 352.346 4.506 5 50 FJBA COc1cccc(C(=O)COc2cc(C)c3c(c2)oc(=O)c2ccccc23)c1 2840997 APGVXJJBPXIKTM-UHFFFAOYSA-N 374.392 4.525 5 50 FJBA biogenic CCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4628796 BTTBFLLDTNRNGQ-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA O=C(c1ccc(-c2noc(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 1096497 ZMYAQLKTDMNWEJ-UHFFFAOYSA-N 371.352 4.543 5 50 FJBA O=[N+]([O-])c1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19228336 VOCMUYYUYBPYRE-UHFFFAOYSA-N 373.456 4.611 5 50 FJBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 1121578 TZNWFUDMKYLYIE-UHFFFAOYSA-N 372.233 4.719 5 50 FJBA CC(C)c1cc(=O)oc2cc(Oc3ncc([N+](=O)[O-])cc3Cl)ccc12 122569424 CMMRQQXOOUNFBW-UHFFFAOYSA-N 360.753 4.665 5 50 FJBA O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1[N+](=O)[O-] 943045 ATMQBFVJGQAAEZ-UHFFFAOYSA-N 373.821 4.548 5 50 FJBA Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 834554 BZHGALHZMSRKTQ-UHFFFAOYSA-N 373.459 4.552 5 50 FJBA CC(C)c1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 951558 IPTBPWZERUNFKH-BJMVGYQFSA-N 367.430 4.980 5 50 FJBA O=C(CCNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2531677 VVZUJTBATREJQD-UHFFFAOYSA-N 357.168 4.726 5 50 FJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 1214437 ASVQYANYVDPKQP-FPYGCLRLSA-N 370.714 4.919 5 50 FJBA O=C(NC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819592 BBWJINVPLYJANL-HMMYKYKNSA-N 350.418 4.584 5 50 FJBA Cc1ccc(C)c2c1c1cc([N+](=O)[O-])ccc1n2CC(=O)OC(C)(C)C 4051760 FBCAHPILDMCSMP-UHFFFAOYSA-N 354.406 4.661 5 50 FJBA CCOc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C 5593102 SDYBUMQLKXMXPJ-UHFFFAOYSA-N 355.346 4.509 5 50 FJBA O=[N+]([O-])c1ccccc1COc1ccc(/C=C2\SC(=S)N=C2O)cc1 16193108 GBPNNUCJQWQWOT-DHDCSXOGSA-N 372.427 4.503 5 50 FJBA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 1194998 QDEQHDXPWWHJLG-UHFFFAOYSA-N 374.702 4.528 5 50 FJBA O=C(Oc1ccc2ccccc2c1Br)c1ccc([N+](=O)[O-])cc1 1153529 HLDGRUBPWBWAHT-UHFFFAOYSA-N 372.174 4.730 5 50 FJBA O=C(Nc1cc(Cl)cc(Cl)c1)n1ccc2cc([N+](=O)[O-])ccc21 1875389605 VCUGZAWWVKMBGX-UHFFFAOYSA-N 350.161 4.937 5 50 FJBA CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 622130 SYJRVVKWGCMHPO-OAQYLSRUSA-N 374.392 4.629 5 50 FJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 4367524 WYQJKNXBNKOSPM-UHFFFAOYSA-N 356.165 4.554 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cccc(Cl)c2)o1 1176898 WAOUXCXSWACLER-UHFFFAOYSA-N 360.728 4.900 5 50 FJBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 127856308 ZPGSTXFJGKQLJG-SGTLLEGYSA-N 371.412 4.966 5 50 FJBA Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2[N+](=O)[O-])cc1 1228715 QCMXPEPBOPCAFX-UHFFFAOYSA-N 364.376 4.889 5 50 FJBA CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C 1530761 VVWYOYDLCMFIEM-UHFFFAOYSA-N 368.497 4.731 5 50 FJBA fda CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2172856 YNPFKWQHQFWHJQ-UHFFFAOYSA-N 354.193 4.960 5 50 FJBA Cc1cc(Br)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1C 2998219 PXBSCMBSPOTXAC-UHFFFAOYSA-N 363.211 4.535 5 50 FJBA O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 4844660 QDUXHECGFZXCLU-UHFFFAOYSA-N 367.401 4.682 5 50 FJBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 1200287 RBDPYWANBMQRSX-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 1741674 QQOWSNMUJGQJEA-UHFFFAOYSA-N 365.364 4.973 5 50 FJBA O=[N+]([O-])c1cc(Cl)c(Oc2ccc(-c3nnco3)cc2)c(Cl)c1 120488805 CPBHRBWHBRONJF-UHFFFAOYSA-N 352.133 4.744 5 50 FJBA CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 1103094 YOTCRCIAZGKZRG-UHFFFAOYSA-N 373.430 4.518 5 50 FJBA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 1209651 CQDIXNJOJAJZCH-UHFFFAOYSA-N 372.384 4.699 5 50 FJBA O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)c2c(ccc3ccccc23)N1 2499305 KIYGAJORDVLONJ-OAHLLOKOSA-N 352.777 4.876 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 1021573 MJDDNQAIIKMTGR-ROUUACIJSA-N 352.434 4.943 5 50 FJBA CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(Cl)c(Cl)c1 334160490 FVNQNQCCJHCLSH-UHFFFAOYSA-N 369.204 4.747 5 50 FJBA COc1cccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 673273 HUKRBKFNSOQNNK-UHFFFAOYSA-N 362.794 4.724 5 50 FJBA COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 13130921 LWESBHWAOZORCQ-UHFFFAOYSA-N 366.369 4.621 5 50 FJBA endogenous,in-man O=[N+]([O-])c1ccc2nc(N3CCC(Cc4ccccc4)CC3)sc2c1 1023119 QFTFWZFDHOURGE-UHFFFAOYSA-N 353.447 4.664 5 50 FJBA COc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1132741 TZYYNKNOYMUJTH-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@@H]3c3cccnc3)o2)cc1 22078456 XZOZUCFYZXXYTG-HXUWFJFHSA-N 363.417 4.977 5 50 FJBA Cc1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 5094694 JGGXGDZLERTUER-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3C[C@H](c4ccccc4)NN23)c1 215940571 JHBBRCDFRDNVNA-SJBKTWHCSA-N 373.412 4.679 5 50 FJBA O=C(Nc1ccccc1F)c1sc2cc([N+](=O)[O-])ccc2c1Cl 667555 BYSTWHVFVRLFIX-UHFFFAOYSA-N 350.758 4.854 5 50 FJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 1112142 NXNJJWDZYVMFNL-DTQAZKPQSA-N 358.397 4.514 5 50 FJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc2ccccc2c1 4806790 JZLYJKNNGCVOPM-UHFFFAOYSA-N 352.415 4.787 5 50 FJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sc2ccccc2c1Cl 1180464 SQTWOQUOFUAPIJ-UHFFFAOYSA-N 350.758 4.854 5 50 FJBA CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 4672904 PDFLXYQAUZWVGO-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA Oc1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3cn[nH]c3nc12 218320846 LBSMJVXIBZOOPB-UHFFFAOYSA-N 352.353 4.778 5 50 FJBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 694603 SHQLXDOWLPFZLT-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=C(NCc1ccccc1F)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1054653 DSGVIFHRKCQJDI-UHFFFAOYSA-N 364.785 4.532 5 50 FJBA O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 2032367 NUFNQYOELLVIPL-UHFFFAOYSA-N 361.659 4.758 5 50 FJBA endogenous,in-man CC(C)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 2857004 MMIRWTRUEHNMOV-UHFFFAOYSA-N 364.195 4.700 5 50 FJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC2c3ccccc3C1c1ccccc12 4322219 OZRSFUSSGGQCEA-LVIWNVNYSA-N 370.408 4.831 5 50 FJBA CCOc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 984999 FKTZLVOBQQETKG-UHFFFAOYSA-N 355.419 4.537 5 50 FJBA Cc1ccc2cccc(OCCCCOc3ccccc3[N+](=O)[O-])c2n1 13285144 XJXFMBHBVDVZTN-UHFFFAOYSA-N 352.390 4.689 5 50 FJBA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1 1057030 KFXUUAISUPIUSQ-UHFFFAOYSA-N 359.341 4.655 5 50 FJBA Cc1c(NC(=S)Nc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] 8682701 SNUZTWREULEGHD-UHFFFAOYSA-N 355.341 4.731 5 50 FJBA C[C@H](c1ccccc1)[C@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 12383794 JDFNXYLSSCARAW-HUVFLSCGSA-N 366.525 4.733 5 50 FJBA Oc1ccc2c(c1)oc1c(-c3cc(F)c(F)c(F)c3)c3cn[nH]c3nc12 218426321 NNOHBCRVTXPAEE-UHFFFAOYSA-N 355.275 4.647 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 5065548 DEMMHKMXUKEWGZ-UHFFFAOYSA-N 369.204 4.861 5 50 FJBA COc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1126502 MSJOTGFELHAFHK-UHFFFAOYSA-N 364.357 4.648 5 50 FJBA O=C(NCc1ccco1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 4839090 HLNYUGZKJMVBRE-UHFFFAOYSA-N 372.764 4.564 5 50 FJBA Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccccc1 1200437 ODPCZQMBPJZDIH-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA CCCC[N+](C)(CCCC)C[C@@H](O)CSc1nc2ccccc2s1 4831652 BFKUJTKIALPKDP-MRXNPFEDSA-N 367.604 4.796 5 50 FJBA CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1-c1ccccc1 1473137777 XLMOVCCBUZVNAF-UHFFFAOYSA-N 372.428 4.770 5 50 FJBA Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 1200792 XMTFSBKPCMHSHZ-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA CC1CCN(C(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)CC1 2881562 GVAKWHWZWUHBDU-UHFFFAOYSA-N 356.447 4.618 5 50 FJBA CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 622132 SYJRVVKWGCMHPO-NRFANRHFSA-N 374.392 4.629 5 50 FJBA COC(=O)c1sc2cc([N+](=O)[O-])cc(SC3CCCCC3)c2c1N 655602 NNEOQQDSDQACFW-UHFFFAOYSA-N 366.464 4.603 5 50 FJBA Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] 4549152 SFQDWRKSIDYQKA-UHFFFAOYSA-N 360.413 4.746 5 50 FJBA CCCC/C=C\CCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 198565514 ABVVZYXTZLEOHP-QWUACUGRSA-O 370.554 4.556 5 50 FJBA CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21 753037 VUKCGSOKMFAVGV-UHFFFAOYSA-N 350.418 4.788 5 50 FJBA O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 1077100 YGHLZFYFAXHDPY-UHFFFAOYSA-N 363.373 4.818 5 50 FJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1 4005905 ZEBJHFCREQHAHI-GOSISDBHSA-N 358.397 4.540 5 50 FJBA Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cs1 1132274 UKUPLJMUPRBXIO-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 4673399 VXAUJDFECVCOIE-UHFFFAOYSA-N 360.369 4.780 5 50 FJBA CCCCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 6241048 BZVBXUULSXTYHE-UHFFFAOYSA-N 355.419 4.799 5 50 FJBA Cc1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1143632 ZAZAJKAPEBBHDG-PXLXIMEGSA-N 372.424 4.760 5 50 FJBA Cc1cc(OCCOc2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] 2862710 FZBYYRBOGDLUES-UHFFFAOYSA-N 358.781 4.563 5 50 FJBA Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 2887704 AGYFSUJOTDLHRO-UHFFFAOYSA-N 373.821 4.932 5 50 FJBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 4542784 MGFUIIFZHZFHGZ-PKNBQFBNSA-N 352.321 4.646 5 50 FJBA Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 657382 JSGFFSHMEURRBD-UHFFFAOYSA-N 374.440 4.855 5 50 FJBA CCc1ccc(C(c2ccc(CC)o2)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 3850590 AYXGFFXMZRKCGX-UHFFFAOYSA-N 369.373 4.815 5 50 FJBA biogenic COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 4851939 ZXXBEBZOSMCNTC-QFIPXVFZSA-N 373.412 4.959 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 2873697 DPCVQKZQVWFEQM-UHFFFAOYSA-N 369.204 4.861 5 50 FJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1CCc2ccccc2C1 22077824 LOSNZGBOUOUGNN-IERDGZPVSA-N 361.445 4.601 5 50 FJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC2c3ccccc3C1c1ccccc12 712636 YMKAGFCGJZUJRO-ATKRNPRHSA-N 370.408 4.831 5 50 FJBA CCOc1ccc2nc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])sc2c1 1175686 RCANCUOOEYZSCJ-UHFFFAOYSA-N 374.443 4.957 5 50 FJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1Cl 2979852 AQJPZILIRGAMAB-UHFFFAOYSA-N 359.794 4.624 5 50 FJBA CCNc1cc2c(cc1C)nc1cc(C)c(NC)cc1[n+]2-c1ccccc1 95918024 QFJRXPWPCNFSJS-UHFFFAOYSA-O 357.481 4.755 5 50 FJBA COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)n1 225475152 FQURVPXIHQSTQW-UHFFFAOYSA-N 363.804 4.697 5 50 FJBA O=C(Nc1ccccc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1118569 LUCHOXGQFVXQDT-UHFFFAOYSA-N 360.728 4.900 5 50 FJBA COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 1121041 WAXGYJZGZGENIC-UHFFFAOYSA-N 374.702 4.528 5 50 FJBA O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 1099267 DKTAMZJQOHMHLH-UHFFFAOYSA-N 362.838 4.635 5 50 FJBA COP(=O)(OC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 3877409 PJLFIPIRZBUGGI-HNNXBMFYSA-N 370.729 4.845 5 50 FJBA O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1 1132785 LCLXOYHZWSWCMZ-UHFFFAOYSA-N 354.790 4.508 5 50 FJBA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1156898 GAUYPYOLMZAFHZ-UHFFFAOYSA-N 360.728 4.900 5 50 FJBA CC(=O)Oc1cccc2ccc(/C=C/c3cc([N+](=O)[O-])ccc3Cl)nc12 4906822 XVPIHGRKRYANMD-SOFGYWHQSA-N 368.776 4.892 5 50 FJBA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 726752 LWILAZRFZXYHHL-UHFFFAOYSA-N 373.368 4.964 5 50 FJBA O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccco1 1108301 KNPOOOBHDRMABC-UHFFFAOYSA-N 373.748 4.991 5 50 FJBA O=C(COc1ccc(C2CCCCC2)cc1)OCc1ccc([N+](=O)[O-])cc1 1177964 IMNOOGASNUNYLA-UHFFFAOYSA-N 369.417 4.765 5 50 FJBA CN(C(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F)c1ccccc1 3128265 PXXHJNJCDRFAGQ-UHFFFAOYSA-N 372.377 4.864 5 50 FJBA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2ccc([N+](=O)[O-])cc2s1 4811081 USQPCVKSCAGIEQ-UHFFFAOYSA-N 371.462 4.750 5 50 FJBA Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 659491 LIWGZXWIZKCLHK-MDZDMXLPSA-N 365.414 4.679 5 50 FJBA Cc1c(C(=O)Oc2ccc3c(c2)[C@@H](C)CC(C)(C)N3)cccc1[N+](=O)[O-] 1181066 GZHSKNPATISCSE-LBPRGKRZSA-N 354.406 4.820 5 50 FJBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1 712829 JGSXYQDINDDHJY-UHFFFAOYSA-N 364.835 4.833 5 50 FJBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 1119003 XYXULWFMYNLBSJ-UHFFFAOYSA-N 371.245 4.774 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 2773608 MJDDNQAIIKMTGR-MSOLQXFVSA-N 352.434 4.943 5 50 FJBA Cc1ccc(C(=O)Oc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] 959461 KDDJTZMMHZTRCJ-UHFFFAOYSA-N 364.195 4.502 5 50 FJBA Cc1ccc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)oc(=O)c2c1 712363 WYUIVYADEPMCIF-UHFFFAOYSA-N 374.352 4.864 5 50 FJBA O=[N+]([O-])c1cc(Br)cc2c1-c1ccc(Br)cc1C2 1580949 FTPVHHUIHJNXJN-UHFFFAOYSA-N 369.012 4.691 5 50 FJBA Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 723653 HZFJLOJKBSSPHT-FMIVXFBMSA-N 365.414 4.679 5 50 FJBA CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 1122307 PHDVSVPDUMBXGD-UHFFFAOYSA-N 355.177 4.553 5 50 FJBA O=[N+]([O-])c1ccccc1NCCCCCCNc1ccccc1[N+](=O)[O-] 8435826 RTUNBTSAIDJSCN-UHFFFAOYSA-N 358.398 4.587 5 50 FJBA O=[N+]([O-])c1cc(F)ccc1NC(=S)Nc1cc(Cl)ccc1Cl 13840551 BTSCLYYFHXOFKY-UHFFFAOYSA-N 360.197 4.850 5 50 FJBA COc1ccc(OC)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCC[C@H]21 15024514 MXJZASFYLXWVPX-MRUHUIDDSA-N 369.417 4.758 5 50 FJBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1Cl 72232663 IDGPZGXYFQWSTJ-UHFFFAOYSA-N 372.805 4.925 5 50 FJBA O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 1112129 NTGSHVPUYGDUON-BQYQJAHWSA-N 368.614 4.929 5 50 FJBA O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1815255 MJLGIUMULCACGI-RMKNXTFCSA-N 369.377 4.509 5 50 FJBA CCCCN(C(=O)c1cccc2ccccc12)[C@@H]1CC2CC[N+]1(C)CC2 6778374 DXBQVUWOKOMXII-JMNVSDKBSA-N 351.514 4.669 5 50 FJBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1c(Cl)cccc1Cl 8970438 FJLHYNVDUBFXEF-UHFFFAOYSA-N 368.201 4.764 5 50 FJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CCc1ccccc1 1065708 UOSCQYLXQFXSBR-UHFFFAOYSA-N 360.413 4.941 5 50 FJBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2)cc1 1140589 WZRCBNIAOVZGTL-UHFFFAOYSA-N 363.369 4.531 5 50 FJBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 4740497 OMCJGGTZHPFPSY-UHFFFAOYSA-N 364.426 4.927 5 50 FJBA CCOC(=O)COc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12 622298 DYXMZXRAVJDQAS-UHFFFAOYSA-N 374.392 4.555 5 50 FJBA O=C(Nc1ccccc1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 5063850 TUKVDCXRZGGUJF-UHFFFAOYSA-N 361.401 4.502 5 50 FJBA aggregator COc1ccccc1Nc1nc(Oc2ccccc2C)nc(C)c1[N+](=O)[O-] 3880421 UFONROSRFZJXLA-UHFFFAOYSA-N 366.377 4.546 5 50 FJBA COc1ccc2cc([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2c1 170648162 FLRPIIAZQHQPCO-AWEZNQCLSA-N 364.401 4.807 5 50 FJBA O=C(CSc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1 1124972 WBBHOCNEEXZBOX-UHFFFAOYSA-N 374.418 4.832 5 50 FJBA CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3c([N+](=O)[O-])cccc13)O2 4623456 VADZLTVDHCCVKO-JOCHJYFZSA-N 373.412 4.967 5 50 FJBA C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4694049 WFONAKVSUCCKGU-UZNLNLPZSA-N 362.857 4.583 5 50 FJBA O=C(c1ccc(F)cc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 939666 XFAPQXOXLXOQDK-UHFFFAOYSA-N 350.349 4.581 5 50 FJBA O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 1135957 XANPYPDAWKJKIA-UHFFFAOYSA-N 360.580 4.912 5 50 FJBA O=c1c2ccccc2c2nc3c(c(-c4ccccc4)c12)c(=O)c1ccccc13 2069238 JTSPUGOXIZZCKL-UHFFFAOYSA-N 359.384 4.957 5 50 FJBA CC(C)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 1074598 RAIKTBUGPJETCB-UHFFFAOYSA-N 360.369 4.672 5 50 FJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccccc1 1218268 NILKYHKTPINABV-CCEZHUSRSA-N 358.397 4.514 5 50 FJBA C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1 5064103 KYGYQEISWHLEPH-CYBMUJFWSA-N 373.840 4.879 5 50 FJBA O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 4006265 SWTQRWOZBPPONM-IFMALSPDSA-N 371.396 4.837 5 50 FJBA C[C@H]1CCCCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 5064945 QJALCYOANNMWLC-ZDUSSCGKSA-N 373.840 4.879 5 50 FJBA O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 2761951 KDDZYWALRUNXJS-UHFFFAOYSA-N 372.764 4.673 5 50 FJBA O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1cccc2cccnc12 4117141 QGJBIXAGVQTLOS-UHFFFAOYSA-N 351.431 4.894 5 50 FJBA O=C(Nc1ccc(Br)c2ccccc12)c1ccc([N+](=O)[O-])cc1 1115272 SHEFCGZFSLOZIF-UHFFFAOYSA-N 371.190 4.763 5 50 FJBA O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 2836297 WWHHUBIGYFUPQE-UHFFFAOYSA-N 363.156 4.669 5 50 FJBA