smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CO[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 25247911 SCICXRZGZFNRSV-HNNXBMFYSA-N 315.329 3.104 5 40 DGBB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] 9426462 AXFFNGMZLDTZAH-NSHDSACASA-N 312.325 3.195 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 22516009 HPBNXVOVSQEOSV-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB COc1ccc(-c2cc3c(c(=O)[nH]2)c(=O)oc2ccccc23)cc1 35031 GCTZENACZRMWBL-UHFFFAOYSA-N 319.316 3.310 5 40 DGBB O=[N+]([O-])c1cccnc1NCc1cccnc1OC1CCCC1 32923687 ONFXSRUQPBOVDQ-UHFFFAOYSA-N 314.345 3.318 5 40 DGBB O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3Cl)C2)nc1 69509973 CXHOCLWZHHXUGT-AWEZNQCLSA-N 319.748 3.221 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F 5688094 SIUDXRTVRFYZAI-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB Cc1cc([N+](=O)[O-])cnc1NCc1nccn1Cc1ccccc1 92658148 GAXXFTKYFRFURP-UHFFFAOYSA-N 323.356 3.155 5 40 DGBB C[C@H]1CCCC[C@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] 84692104 NZIWLIPPVQTWBB-QWHCGFSZSA-N 318.377 3.250 5 40 DGBB Cc1ccc(NC(=O)CN(C)C2CCC(C)CC2)cc1[N+](=O)[O-] 39978297 QRRGDXQTXPLUIC-UHFFFAOYSA-N 319.405 3.352 5 40 DGBB CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCCC1 58358080 GHSPEDUNEVFLLN-UHFFFAOYSA-N 305.378 3.188 5 40 DGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc2C1 265772 VLFUSCMQIDHKAR-UHFFFAOYSA-N 316.744 3.447 5 40 DGBB CCc1ccc(NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 3223320 OEJXDKGKLOBZHL-GFCCVEGCSA-N 316.361 3.170 5 40 DGBB CCO[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4824530 HIYLMWVOASNISZ-INIZCTEOSA-N 300.314 3.252 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 12525061 VCISVSCQIFADAU-LBPRGKRZSA-N 323.356 3.250 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 17305371 CPSRQOGKPLMAAT-UHFFFAOYSA-N 314.385 3.222 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 32814560 UGQXZAYHERTEHS-AWEZNQCLSA-N 313.313 3.240 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1Cc1ccccc1 32904252 OFPFMPNELLWUAM-CYBMUJFWSA-N 300.314 3.035 5 40 DGBB CCN(Cc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-] 42783480 WJFPNBRJFRKYJG-UHFFFAOYSA-N 300.314 3.320 5 40 DGBB COCc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(C)cc1 84148773 WGOJYOLLQMTNOP-UHFFFAOYSA-N 314.341 3.231 5 40 DGBB COc1cc(NCCc2ccn(C(C)C)n2)ccc1[N+](=O)[O-] 96429540 CVOFQPQXAPPSTE-UHFFFAOYSA-N 304.350 3.035 5 40 DGBB Cc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)c1 1385544 YCGXSCJWPHSXLX-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 69815372 UJUVVXHWSJPNCM-GFCCVEGCSA-N 305.359 3.241 5 40 DGBB O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccccc1 71185496 NLXGMFFHKABAHE-UHFFFAOYSA-N 322.324 3.097 5 40 DGBB Cc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1[N+](=O)[O-] 95095771 IJMGMLGULLCZBO-UHFFFAOYSA-N 317.326 3.286 5 40 DGBB O=[N+]([O-])c1ccc(F)c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 102315333 GWNXLZMRKOZCSZ-AUTRQRHGSA-N 309.366 3.209 5 40 DGBB O=C(NC1CC1)c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 52429295 NXGFQDQIRXGSIS-UHFFFAOYSA-N 316.288 3.418 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCC[C@@H]1CCCNC1 42774255 HGQXWDBYSKZDJA-JTQLQIEISA-N 318.295 3.382 5 40 DGBB O=[N+]([O-])c1ccc(-c2cnn(CCO[C@H]3CCCCO3)c2)cc1 225664127 RIVWZTZQOMVDQW-INIZCTEOSA-N 317.345 3.002 5 40 DGBB CC(=O)Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 11613897 CITOKVYEONQZRJ-UHFFFAOYSA-N 314.297 3.081 5 40 DGBB O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 5514021 VSTBPBDAGUEHPA-UHFFFAOYSA-N 311.091 3.203 5 40 DGBB Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 109272 UCBXAOGBDJKMDJ-UHFFFAOYSA-N 318.354 3.336 5 40 DGBB Cc1nn(C)c(-c2nc(-c3ccccc3Cl)no2)c1[N+](=O)[O-] 113733635 RMFMEWFGOFNNQH-UHFFFAOYSA-N 319.708 3.007 5 40 DGBB O=C(Nc1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])o1 95997317 BULKLDUVLAEGRH-UHFFFAOYSA-N 322.327 3.020 5 40 DGBB Cc1ccnc(N[C@H](CO)c2csc(C(C)C)n2)c1[N+](=O)[O-] 585142075 OEAZZRGQRJDFBY-SNVBAGLBSA-N 322.390 3.024 5 40 DGBB COc1ccc(N(C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 5957091 GNMFFSPPCBGGDJ-UHFFFAOYSA-N 315.329 3.296 5 40 DGBB CCOc1ccc(C(=O)OC2C[C@@H]3CCC[C@H](C2)[N+]3(C)C)cc1 526596 BHVJFWCIKURJEW-BYICEURKSA-N 318.437 3.402 5 40 DGBB biogenic COc1ccc(NC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 4496668 VEEWEIYWTALEGI-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB CC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] 5530179 OLSOCZNMNZPQSH-UHFFFAOYSA-N 310.313 3.405 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 12525060 VCISVSCQIFADAU-GFCCVEGCSA-N 323.356 3.250 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCO2 27132852 NVBYQYFUVDPOII-VMPITWQZSA-N 310.309 3.182 5 40 DGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 108924906 CRMIAKJHRMCHHN-ATVPRXPUSA-N 302.374 3.078 5 40 DGBB C[C@H](C[S@](C)=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 129615491 BPMXVGXEUDFJOW-FWCARGHBSA-N 311.190 3.081 5 40 DGBB CC(C)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 7321755 FRKNLWHHIPOIPA-UHFFFAOYSA-N 324.387 3.199 5 40 DGBB COc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 72228671 PNGJCACUFUXVJH-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB COc1ccc([N+](=O)[O-])cc1C(=O)NCCSC1CCCC1 40082598 UENDQALROQCOFU-UHFFFAOYSA-N 324.402 3.009 5 40 DGBB COc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 44900103 AQSQNROUVODFAE-LBPRGKRZSA-N 314.341 3.023 5 40 DGBB CC(C)Oc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 10542718 VKHGBMIEDGOXEG-UHFFFAOYSA-N 314.341 3.312 5 40 DGBB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 25032012 RVMUYMWWPOJROO-UHFFFAOYSA-N 315.329 3.349 5 40 DGBB Cc1cc(C)cc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)O)c1 225125762 ZTRIINRSRYXFTB-MRXNPFEDSA-N 315.325 3.286 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(C2CC2)o1 65564352 QTOQBPLZPZUTPB-SNVBAGLBSA-N 302.334 3.048 5 40 DGBB CSc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1[N+](=O)[O-] 8982198 XUKIXGPWQHZFEA-VIFPVBQESA-N 306.343 3.401 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 3430990 IXOAGVZEBPPPOT-NSHDSACASA-N 300.314 3.094 5 40 DGBB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 4130693 QCBRGFUTPHCMRB-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB COC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 84147819 JFLCTXVFXBNOSP-ZDUSSCGKSA-N 321.377 3.102 5 40 DGBB CCC(CC)N(CCOC)C(=O)Nc1ccc([N+](=O)[O-])cc1 40153496 FUZQMMQBDGQTNV-UHFFFAOYSA-N 309.366 3.264 5 40 DGBB Nc1cnccc1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 199712691 KIEYWJBBQOUMQC-UHFFFAOYSA-N 309.281 3.063 5 40 DGBB Cc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])c(C)c1 4119328 ABXRKUKONYUNKC-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 6958766 PQPZPBIXBABLHN-SNVBAGLBSA-N 302.359 3.037 5 40 DGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccco1 14258537 MUYCKDDYOFHEGF-GQCTYLIASA-N 306.705 3.171 5 40 DGBB CC(=O)c1ccc(N[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 25567253 KEIFCURZMANCIF-ZDUSSCGKSA-N 314.345 3.020 5 40 DGBB Cc1nc2ccccc2n1CCNCc1ccccc1[N+](=O)[O-] 57338321 MXJCVAWKLSDIHE-UHFFFAOYSA-N 310.357 3.043 5 40 DGBB Cc1ccc([C@@H](C)NC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 95422946 IGUGHRHMWZZBNO-ABAIWWIYSA-N 306.387 3.349 5 40 DGBB Cc1nc(N[C@H](C)[C@@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] 95966050 JHZFXFZQMKMUMK-RFAUZJTJSA-N 323.299 3.110 5 40 DGBB Cc1cc(NC(=O)N(C)Cc2nccs2)ccc1[N+](=O)[O-] 97049333 AHTHWUWZLYIXEP-UHFFFAOYSA-N 306.347 3.024 5 40 DGBB Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 5277172 WPPLZGQSVURXKV-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB CC1(C)CC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC(C)(C)N1 22474533 HYRVZATYFVVEJQ-UHFFFAOYSA-N 320.393 3.026 5 40 DGBB COc1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 31553669 ARFGPKWIWMQSIY-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB CN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 54147957 IFMMUAXZLSPUOU-UHFFFAOYSA-N 319.408 3.212 5 40 DGBB CO[C@@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 69666421 DWWMAVGLLIDKIP-VIFPVBQESA-N 312.753 3.026 5 40 DGBB Cc1ccc(C(=O)n2cc(CO)c3ccccc32)cc1[N+](=O)[O-] 216960299 KHHSPCPCSGTTDS-UHFFFAOYSA-N 310.309 3.039 5 40 DGBB CSc1cccc(F)c1C(=O)NCc1cccc([N+](=O)[O-])c1 252494386 NUHXBLSHQIBPDB-UHFFFAOYSA-N 320.345 3.386 5 40 DGBB C[C@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 175163 KHJTYLINCBJQGT-VIFPVBQESA-N 317.370 3.428 5 40 DGBB Cc1c(C(=O)NC2CCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4508187 FLEJGFJPWSDXHY-UHFFFAOYSA-N 321.333 3.264 5 40 DGBB O=[N+]([O-])c1cc(F)ccc1NCCc1nc2ccccc2[nH]1 7128877 STSXHIRFNOTLDE-UHFFFAOYSA-N 300.293 3.265 5 40 DGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1C 19163571 YEFUIPBXDXZLEY-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB CN(C)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 265867 BNMRPLDKPOJMII-UHFFFAOYSA-N 303.293 3.052 5 40 DGBB Cc1ccc(F)cc1NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 3325227 UHGQBSFBSCDKTG-UHFFFAOYSA-N 317.320 3.401 5 40 DGBB Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3554459 VHGDINAOJAJTQC-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 3844636 UIZZFTVKGKATKK-DUXPYHPUSA-N 316.269 3.388 5 40 DGBB C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 6623537 MUWKSPZOWMVZIX-GFCCVEGCSA-N 319.405 3.359 5 40 DGBB O=[N+]([O-])c1cc(Br)ccc1OCC(F)(F)F 42388930 BLCYJJPNDDAJDL-UHFFFAOYSA-N 300.030 3.298 5 40 DGBB CCc1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 44883786 HQWSLNDVAQXCPR-UHFFFAOYSA-N 320.370 3.099 5 40 DGBB CCCCCC[C@H](C)N(CCO)C(=O)c1ccc([N+](=O)[O-])cc1 1714565 SHZWZHZUVQTZSF-AWEZNQCLSA-N 322.405 3.388 5 40 DGBB CCOc1ccc(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])cc1 4891279 UODHMLNHDAHVMV-UHFFFAOYSA-N 308.725 3.489 5 40 DGBB C[C@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2187264 TYXJCXZBHHQYHT-ZANVPECISA-N 308.290 3.239 5 40 DGBB COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8493965 AOZJWMAUYLVCAE-UHFFFAOYSA-N 318.241 3.116 5 40 DGBB O=c1[nH]c2cc([N+](=O)[O-])ccc2c2cc(Br)ccc12 16951161 VLXPYEAUAFIQGG-UHFFFAOYSA-N 319.114 3.352 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c(C)noc1C 43148882 HTKIPYCPBUWWAK-UHFFFAOYSA-N 318.333 3.172 5 40 DGBB O=[N+]([O-])c1c(NCCCNc2ccccc2)nc2sccn12 58269146 REHIYPXIYRWFKF-UHFFFAOYSA-N 317.374 3.218 5 40 DGBB Cc1cc(N2CCC[C@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 97083954 NTYCMQGSZCOCML-KRWDZBQOSA-N 315.373 3.050 5 40 DGBB CCOC(=O)c1ccc(-c2ccc(OCC)cc2[N+](=O)[O-])o1 70461174 SKGMEEBKHOTJLF-UHFFFAOYSA-N 305.286 3.430 5 40 DGBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NC(=O)c1ccccc1 819534 ISBNHSMITQBZDS-UHFFFAOYSA-N 322.324 3.248 5 40 DGBB COc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 108924895 ONPHOBAWYXLNFV-ZJQBRPOHSA-N 318.373 3.158 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)c2ccccc12 25253847 UESNOPODGHEJBV-UHFFFAOYSA-N 323.352 3.359 5 40 DGBB CC[N+](C)(CC)CCOC(=O)c1cc2cc(COC)ccc2o1 1776296 CNYOAAVCNRZZPM-UHFFFAOYSA-N 320.409 3.222 5 40 DGBB Cc1noc(C)c1COC(=O)c1ccc([N+](=O)[O-])cc1Cl 7735184 LHJLYBZNKAFOIX-UHFFFAOYSA-N 310.693 3.210 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(F)c1 24634524 AUCWUOSQQWTTDI-UHFFFAOYSA-N 317.320 3.048 5 40 DGBB COc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 22508852 RIZPALCIAOHUIJ-LLVKDONJSA-N 316.313 3.009 5 40 DGBB C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-n1cnnc1 216751486 PPHSDKJHWHLLAA-WCQYABFASA-N 301.350 3.166 5 40 DGBB COc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1 45886419 AOGSMZYIULGZTA-UHFFFAOYSA-N 315.167 3.356 5 40 DGBB O=[N+]([O-])c1ccc(OCC(F)(F)F)c(Br)c1 167914941 CYIHRGAJIPHNIM-UHFFFAOYSA-N 300.030 3.298 5 40 DGBB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1[N+](=O)[O-] 6266430 IKFDYOUYJXIZPM-UHFFFAOYSA-N 309.325 3.497 5 40 DGBB CCc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1[N+](=O)[O-] 45157494 HOYYNCYXISDPJN-UHFFFAOYSA-N 324.340 3.366 5 40 DGBB Cc1noc(C)c1[C@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1 60337054 KNDCMJZLQNVCCA-VIFPVBQESA-N 304.302 3.047 5 40 DGBB C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccnc1 97114571 YMOVGNQJAFNOKY-MRVPVSSYSA-N 321.720 3.091 5 40 DGBB O=C1OC(C2CCCCC2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 283235 YTCASGABDXYKSQ-GXDHUFHOSA-N 300.314 3.471 5 40 DGBB COc1ccc2c(c1)CCCN2C(=N)c1ccc([N+](=O)[O-])cc1 1683824 FTULKVCJQLXFKU-UHFFFAOYSA-N 311.341 3.382 5 40 DGBB COc1cc(NC[C@H](O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 78903768 LGCPBLQXNPLIBI-AWEZNQCLSA-N 324.283 3.027 5 40 DGBB O=C(CCC(F)(F)F)N1CCCc2c1cccc2[N+](=O)[O-] 96484103 UJPSJQSUHDWGOE-UHFFFAOYSA-N 302.252 3.217 5 40 DGBB CCOC(=O)c1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C 604941567 FOXREGWFIAGROK-UHFFFAOYSA-N 307.331 3.280 5 40 DGBB CCCn1c(NC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21 24746107 QXSUNGXUTAFLCR-UHFFFAOYSA-N 314.301 3.200 5 40 DGBB Cc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5206208 AHKKTWBRZTVQIP-UHFFFAOYSA-N 301.305 3.451 5 40 DGBB O=c1oc2ccccc2c(NCc2ccccc2F)c1[N+](=O)[O-] 4573300 HCELFFYCWWCFFU-UHFFFAOYSA-N 314.272 3.452 5 40 DGBB CCOc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12 4819152 DSHXGBVULRNZOC-UHFFFAOYSA-N 300.274 3.273 5 40 DGBB CSc1ccc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 7699045 HTRAOLORVQMMLB-UHFFFAOYSA-N 302.355 3.247 5 40 DGBB O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1c1ncc[nH]1 96478039 YCZRQMPLJPNMTK-AWEZNQCLSA-N 304.325 3.184 5 40 DGBB O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 17118076 XPWBSLOEKGVSAN-AUWJEWJLSA-N 312.237 3.172 5 40 DGBB O=[N+]([O-])c1ccc(/C=C\c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 5734974 JZKCYSOYDHMFHQ-IWQZZHSRSA-N 314.253 3.402 5 40 DGBB CCCC[C@H](CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6043135 KRKLGOIULBKIKK-LBPRGKRZSA-N 314.407 3.090 5 40 DGBB Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 9888505 JEJSBDPXPIFYAU-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=C(O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 13094471 SFSRSTXTMFAUPZ-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1cccc(OCCNC(=O)Nc2ccccc2[N+](=O)[O-])c1 24237299 MFRVGZFNSJRAQY-UHFFFAOYSA-N 315.329 3.104 5 40 DGBB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])n2)cc1C 40114728 OSHGPOJUTLYKSU-WCQYABFASA-N 317.370 3.031 5 40 DGBB Cc1ccc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 81346558 VQZBCOXOHMJVLX-SNVBAGLBSA-N 322.342 3.020 5 40 DGBB Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-] 110532148 BIZXMRGKBNBOEZ-OSFYFWSMSA-N 302.374 3.458 5 40 DGBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 158006078 WRIWBKDRMLCNAL-AWEZNQCLSA-N 303.293 3.010 5 40 DGBB O=[N+]([O-])c1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 5351656 QFGNVDCRPXGKPP-UHFFFAOYSA-N 313.298 3.021 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCO[C@@H](c2ccccc2Cl)C1 69461094 NQPXSFVIFONSIR-CQSZACIVSA-N 319.748 3.221 5 40 DGBB C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 89904285 KGBYBDOKMRSCNT-JTQLQIEISA-N 320.370 3.065 5 40 DGBB CC[C@@H](NC(=O)Cc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 96454689 CWSZIRGJIAIWGG-MRXNPFEDSA-N 313.357 3.108 5 40 DGBB C/C=C1\C[N@@+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 252461121 KRTATNOTKFNEFT-OAYIQMPDSA-N 309.433 3.169 5 40 DGBB biogenic Nc1nc2oc3ccccc3c(=O)c2cc1C(=O)c1ccccc1 19794158 CGMMNYZELXYBKB-UHFFFAOYSA-N 316.316 3.154 5 40 DGBB COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c(OC)c1 221078988 XUBPQBXRVFJSCJ-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc([N+](=O)[O-])o1 2338906 YNSLXOVREVUGBZ-UHFFFAOYSA-N 324.705 3.098 5 40 DGBB CCn1c(COc2cccnc2[N+](=O)[O-])nc2c(F)cccc21 69513179 SWWRNXIVWNKUEB-UHFFFAOYSA-N 316.292 3.078 5 40 DGBB O=[N+]([O-])c1cc(F)c(Nc2cnn(CC(F)(F)F)c2)c(F)c1 97229450 QIQINNVEHOWOHU-UHFFFAOYSA-N 322.193 3.375 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(-n2cccn2)cc1 84651643 XTVUSZMOLPQAOE-LBPRGKRZSA-N 309.329 3.349 5 40 DGBB Cc1c(NC(=O)c2noc3c2C[C@@H](C)CC3)cccc1[N+](=O)[O-] 20295808 UOFAHKMNKXCKOF-VIFPVBQESA-N 315.329 3.268 5 40 DGBB O=[N+]([O-])c1cccc(Cl)c1Sc1nnc(C(F)F)[nH]1 216905075 DGMKKNZYSBQNQS-UHFFFAOYSA-N 306.681 3.455 5 40 DGBB CO[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 25247915 SCICXRZGZFNRSV-OAHLLOKOSA-N 315.329 3.104 5 40 DGBB O=[N+]([O-])c1ccc(OCc2nc(Cc3ccccc3)no2)cc1 31647313 DCDQKYMYOYKZJY-UHFFFAOYSA-N 311.297 3.148 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OCc1ccccc1 33158609 MQGFIJOBVUEECJ-ZDUSSCGKSA-N 314.341 3.447 5 40 DGBB Cc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 5966615 MLYRAQLCMFOMEM-UHFFFAOYSA-N 313.309 3.251 5 40 DGBB C[C@]1(c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)CCC(=O)O1 6248294 WZCCHTSLMNOCIF-CQSZACIVSA-N 319.342 3.347 5 40 DGBB Cc1ccc(C)c(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1 8579992 USDUNLLBXCHHRG-UHFFFAOYSA-N 300.314 3.177 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)c(C)c1 10702789 LITPOYHOYOAPRK-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB O=[N+]([O-])c1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1 29526873 QDYRXBFKUWFQLI-MRXNPFEDSA-N 312.373 3.239 5 40 DGBB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 30266828 CWQGPMFEFBIMBO-XEHSLEBBSA-N 311.341 3.013 5 40 DGBB COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 34929216 WQTVHQWYARUXQA-UHFFFAOYSA-N 321.716 3.496 5 40 DGBB O=C1Nc2ccccc2[C@H]1CCNc1ccc(F)cc1[N+](=O)[O-] 12907339 HFEWCMRDFWEQFM-GFCCVEGCSA-N 315.304 3.272 5 40 DGBB O=C(CNc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 6602334 IBCFAAUQACQYNT-UHFFFAOYSA-N 305.721 3.299 5 40 DGBB COCc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1ccccc1 8569817 DOHLUZBCHIAUJE-UHFFFAOYSA-N 324.340 3.176 5 40 DGBB CCn1c(C)cc(C(=O)COc2ccccc2[N+](=O)[O-])c1C 5869385 VKRWYZXCYGQCQF-UHFFFAOYSA-N 302.330 3.295 5 40 DGBB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1 9154628 ZOOQEMMHTFDBMR-LLVKDONJSA-N 317.370 3.418 5 40 DGBB CNC(=O)c1ccc(N(CC(C)C)C2CCCC2)c([N+](=O)[O-])c1 78716654 HDPOYEZVDNZRDK-UHFFFAOYSA-N 319.405 3.359 5 40 DGBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)c1 84667342 MOPXAAKASVOJOY-SECBINFHSA-N 322.752 3.469 5 40 DGBB Cc1c(NC(=O)c2noc3c2CCCCC3)cccc1[N+](=O)[O-] 20295814 XFQDKNUYNWRGRB-UHFFFAOYSA-N 315.329 3.412 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2ccccc21 32814547 FZLWLCXNLRQGKK-CQSZACIVSA-N 313.313 3.240 5 40 DGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@@H]2CC[C@H]1C2 217646109 ASXTUVFJHPBHEQ-PSHZPRKYSA-N 318.398 3.357 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4o3)CC2)cc1 29294173 VGARVYVSUPMYFD-UHFFFAOYSA-N 324.340 3.063 5 40 DGBB Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 31207533 OLPHFGQVCBSCBO-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccc(C)cc1 9883090 LJLPVDACCMMNAS-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB CCOc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 3300419 LWOFJMKKEQNIHE-UHFFFAOYSA-N 301.298 3.351 5 40 DGBB O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 1572776 XZCIHQGTUSVMJG-LBPRGKRZSA-N 305.359 3.309 5 40 DGBB O=c1ccc([N+](=O)[O-])cn1Cc1ccc(-c2ccccc2)cc1 8941360 YRKMBLHBQCEKGM-UHFFFAOYSA-N 306.321 3.472 5 40 DGBB CSc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 3312180 PQBHSQYITFRASP-UHFFFAOYSA-N 304.327 3.069 5 40 DGBB COc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 3279662 IPBGSMJKMWIOFE-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB CC(C)(C(=O)Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 27643532 LQPPNKFXVFXBOW-UHFFFAOYSA-N 300.314 3.217 5 40 DGBB Cc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 176785 YTNVCQNEGUOURK-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCC1 4306091 OUKQNDZRCQMVCC-UHFFFAOYSA-N 305.212 3.122 5 40 DGBB O=C(Nc1ccccc1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9118036 ATEBDVPERZJHOU-UHFFFAOYSA-N 313.313 3.127 5 40 DGBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1ccc[nH]1 61396947 QQQKTIXJAOZPHJ-INIZCTEOSA-N 324.340 3.382 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cncn2)c1 75091870 XSTUVKCCEBTIMH-GFCCVEGCSA-N 309.329 3.349 5 40 DGBB CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 409114786 QHFLJOUGSCLKRL-LCYFTJDESA-N 310.309 3.208 5 40 DGBB Cc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 103332486 VLODDECTLAOXBU-WZRBSPASSA-N 305.403 3.378 5 40 DGBB COCCOC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 11539845 LUFOZNLXXKGQAF-UHFFFAOYSA-N 316.313 3.142 5 40 DGBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 1738926 KLLCTAKEONEBOK-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3ncccc23)c1 58178136 FGALFSPNISTNFU-UHFFFAOYSA-N 323.308 3.404 5 40 DGBB Cc1c(C(=O)OCc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 3316444 IBGRVUUFVGZSCG-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB C[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 175539001 RHTOUMTZNDHURW-TYNCELHUSA-N 306.362 3.120 5 40 DGBB Cc1c(C(=O)n2c(C)c(CO)c3ccccc32)cccc1[N+](=O)[O-] 216960551 GVNISRCMNMITBS-UHFFFAOYSA-N 324.336 3.347 5 40 DGBB CCCCNC1=NN=C(c2ccc(C)c([N+](=O)[O-])c2)CS1 5157829 PINMSCHWXOFQSW-UHFFFAOYSA-N 306.391 3.100 5 40 DGBB CCc1ccc(C(=O)N(C)Cc2scnc2C)cc1[N+](=O)[O-] 95405771 WFBXJYZBTBVLGM-UHFFFAOYSA-N 319.386 3.194 5 40 DGBB CCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1 3844604 DNZQJABZYWZVSU-UHFFFAOYSA-N 314.297 3.024 5 40 DGBB biogenic COC(=O)c1cn(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 216959698 VBHPBPPYBAWJGO-UHFFFAOYSA-N 324.292 3.025 5 40 DGBB CCOC(=O)c1csc2nc(-c3cccc([N+](=O)[O-])c3)cn12 40440709 GHCHKFSPMOWPSI-UHFFFAOYSA-N 317.326 3.148 5 40 DGBB COc1ccc([C@H](CC(=O)OC2CCCCC2)C[N+](=O)[O-])cc1 28312 GAPOALIXVQSFDU-CQSZACIVSA-N 321.373 3.322 5 40 DGBB O=[N+]([O-])c1ccc(-c2noc(CN(CC3CC3)C3CC3)n2)cc1 58428390 QMKSQNUGUNLPPN-UHFFFAOYSA-N 314.345 3.019 5 40 DGBB O=[N+]([O-])c1ccc(Cl)cc1NCn1nnc2ccccc21 4015184 NMNQQBJZKYBQOK-UHFFFAOYSA-N 303.709 3.063 5 40 DGBB O=c1cc(CSc2nnc[nH]2)c2c(ccc3ccccc32)o1 9337793 SPJBFHXYNMGBGY-UHFFFAOYSA-N 309.350 3.357 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 89780845 RUXKWQJKYFQJDL-CQSZACIVSA-N 315.333 3.077 5 40 DGBB CC(C)n1cnnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 83090338 SRPBLOJIGZPUID-UHFFFAOYSA-N 319.346 3.201 5 40 DGBB O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Cc2ccccc2)c1 1589396 MULUQTPCARXCDB-MDZDMXLPSA-N 303.339 3.181 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 32937805 CPHPXAVOKKTMOL-UHFFFAOYSA-N 309.325 3.348 5 40 DGBB CCOc1ccc(C(=O)OC2C[C@H]3CCC[C@H](C2)[N+]3(C)C)cc1 1323097 BHVJFWCIKURJEW-HZPDHXFCSA-N 318.437 3.402 5 40 DGBB COc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C)cn1 95416656 MZORENXOUMAMMC-LBPRGKRZSA-N 301.346 3.158 5 40 DGBB CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 76067381 BXPMRTTXBILWHB-GXTWGEPZSA-N 308.403 3.341 5 40 DGBB CCOc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cn1 96466875 ZCTZNDVCCVZYKJ-UHFFFAOYSA-N 319.292 3.088 5 40 DGBB O=C(Nc1cc(F)ccc1F)c1c(F)ccc([N+](=O)[O-])c1F 165791 AVOHHYLBZWZXDT-UHFFFAOYSA-N 314.194 3.404 5 40 DGBB CC(=O)c1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1 3189102 ZHOKERRKGCYCHX-UHFFFAOYSA-N 308.297 3.045 5 40 DGBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 7037295 SAQPOTDCFPXGPQ-MRXNPFEDSA-N 314.341 3.485 5 40 DGBB C[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 1305906 AFGDQXJPXOHZNF-LVKMRUPZSA-N 308.445 3.409 5 40 DGBB CC(C)c1nc(CCNC(=O)c2ccccc2[N+](=O)[O-])cs1 71185640 NEKWXMIAEAQIPY-UHFFFAOYSA-N 319.386 3.147 5 40 DGBB Cc1c(C(=O)Nc2ccc(C(C)(C)C)nn2)cccc1[N+](=O)[O-] 96411013 BKQIMZDVSXYXBJ-UHFFFAOYSA-N 314.345 3.243 5 40 DGBB CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(Br)c1 205899368 PBPYVBDJWDWFRI-UHFFFAOYSA-N 302.124 3.313 5 40 DGBB COc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 17138326 NXXISVHVJNIANI-UHFFFAOYSA-N 312.281 3.453 5 40 DGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 265788 REHQYOLBMZATFI-UHFFFAOYSA-N 316.744 3.447 5 40 DGBB C[C@H](CNC1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 8637493 KWHKSWLYJYSKHI-GFCCVEGCSA-N 306.362 3.062 5 40 DGBB CCc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 9141556 DNHGNUZTAVKFKJ-UHFFFAOYSA-N 300.314 3.418 5 40 DGBB CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)N1 25072704 VMPQXRHNFWUIIL-UHFFFAOYSA-N 322.365 3.224 5 40 DGBB CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 4294139 BCYCYZAYPVUGKO-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB O=[N+]([O-])c1ccc(Sc2ccc(O)cc2O)c([N+](=O)[O-])c1 1646338 NCSPSBPLFHFKSJ-UHFFFAOYSA-N 308.271 3.065 5 40 DGBB CCc1ccc(NC(=O)Cc2cccc(OC)c2)cc1[N+](=O)[O-] 27317401 XCUWBELXLMMNRV-UHFFFAOYSA-N 314.341 3.347 5 40 DGBB CC[C@@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 72304159 FTXBPMZRSFJLFB-NEPJUHHUSA-N 303.362 3.352 5 40 DGBB O=C(/C=C/c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 332879 LOJDFRGEGQWYFH-MDZDMXLPSA-N 311.293 3.034 5 40 DGBB CCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-] 1754431 BOSSVQATRFCZTO-UHFFFAOYSA-N 305.359 3.100 5 40 DGBB O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1 10221292 NUVASHJTZYTECJ-UHFFFAOYSA-N 310.353 3.447 5 40 DGBB Cc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1C 73642284 XNGMNETWIIACQD-UHFFFAOYSA-N 323.352 3.291 5 40 DGBB CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 69558118 AXVDGEHJWIMBIP-GFCCVEGCSA-N 317.345 3.481 5 40 DGBB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 408531705 WVLQEJOUDMPERR-UHFFFAOYSA-N 321.292 3.271 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F 14898707 HYZGUZDGBNUFCJ-UHFFFAOYSA-N 321.283 3.314 5 40 DGBB CC(C)c1ocnc1C(=O)OCCc1ccccc1[N+](=O)[O-] 89891203 NJIKDNOCDRQINN-UHFFFAOYSA-N 304.302 3.106 5 40 DGBB Cc1ccc(NCc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 40174565 VATDTTAHSSCUTL-UHFFFAOYSA-N 309.329 3.300 5 40 DGBB CN(C)CCNc1cccc2sc3ccc(O)cc3c(=O)c12 5487738 LIXQKVJTQBUEPZ-UHFFFAOYSA-N 314.410 3.094 5 40 DGBB C[N+](C)(CCOCc1ccccc1)CCOCc1ccccc1 20293454 QEPLBDNJNVOXCC-UHFFFAOYSA-N 314.449 3.496 5 40 DGBB Cc1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 11913836 URJRXJIAARFSNK-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409010258 BICWXIRMHMRPFD-LQGZHCLWSA-N 322.342 3.135 5 40 DGBB O=[N+]([O-])c1ccc(CCNc2ncnc3sccc23)cc1 40676211 QBMRWXDBLBJCRG-UHFFFAOYSA-N 300.343 3.254 5 40 DGBB C[C@@]1(Nc2ccc([N+](=O)[O-])cc2)CC(=O)N(c2ccccc2)O1 5359620 NWZPIJPULYRGSZ-INIZCTEOSA-N 313.313 3.091 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 16401850 CNHVVXFUCCBLBA-UHFFFAOYSA-N 308.403 3.231 5 40 DGBB COc1ccc2c(Cc3cccc([N+](=O)[O-])c3)cncc2c1O 1719358 DMEADVJDTWAEGN-UHFFFAOYSA-N 310.309 3.448 5 40 DGBB in-vivo O=[N+]([O-])c1ccccc1N1CCO[C@H](c2ccc(F)cc2)C1 29528027 QJMAKKBSHMLDGD-INIZCTEOSA-N 302.305 3.312 5 40 DGBB Cc1c(Br)c([N+](=O)[O-])nn1Cc1cccc(F)c1 17242001 HMXVDZYUWOPUFC-UHFFFAOYSA-N 314.114 3.050 5 40 DGBB Cc1ccccc1[C@@H](C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 71916458 BYZBZLXGYGGKAC-SNVBAGLBSA-N 319.748 3.443 5 40 DGBB CC[C@H](NC(=O)Cc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 96454688 CWSZIRGJIAIWGG-INIZCTEOSA-N 313.357 3.108 5 40 DGBB COc1ccc([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])ccc1OC 2303922 ISIJNYMGURMKOL-UHFFFAOYSA-N 304.258 3.187 5 40 DGBB in-vitro CCNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] 8586868 NKFLNAFAYJNGPC-UHFFFAOYSA-N 300.274 3.337 5 40 DGBB O=c1c(-c2cccc(Cl)c2)c[nH]n1-c1cccc([N+](=O)[O-])c1 3133806 JCMRNYAEGGOWCY-UHFFFAOYSA-N 315.716 3.394 5 40 DGBB Cc1cc(C)n2nc(S/C=C/c3ccc([N+](=O)[O-])o3)nc2n1 58308302 FQPMXHGBLHKVHC-AATRIKPKSA-N 317.330 3.005 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 36396222 ZAFLAACZZZPTMZ-OAHLLOKOSA-N 312.373 3.066 5 40 DGBB O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCC[C@@H]2O)o1 78724837 VNCFERCIMHBZEE-ZBFHGGJFSA-N 316.357 3.248 5 40 DGBB CC[C@H](NC(=O)c1cc(C)nn1CC)c1cccc([N+](=O)[O-])c1 96454694 VWLNFRBZXIBAGW-AWEZNQCLSA-N 316.361 3.001 5 40 DGBB O=C(O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 240905 MXISZBJRYUVWNX-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 3153676 PFHQXNWGHSJUIH-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=C1c2cccc(Cl)c2C(=O)N1c1cccc([N+](=O)[O-])c1 3100090 BHJHRUVEFYGJHI-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB C[C@@H](Sc1nnc2ccccn12)c1cccc([N+](=O)[O-])c1 7297231 HXOHAFKCAYRBQS-SNVBAGLBSA-N 300.343 3.491 5 40 DGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(SC3CCCCC3)cc21 9879941 NLZZUNIFRNYSKG-UHFFFAOYSA-N 321.402 3.210 5 40 DGBB CC[C@H](CO)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 28915915 MPMDIHXXVITVMI-CQSZACIVSA-N 314.341 3.009 5 40 DGBB COc1ccc(C(=O)COc2cc(C)ccc2[N+](=O)[O-])cc1F 24851088 LDEMKAFNWNVLEV-UHFFFAOYSA-N 319.288 3.313 5 40 DGBB Cc1ccc(-c2nnc(CSc3ccc([N+](=O)[O-])cn3)o2)o1 96191787 HFYMABXPAZPLAK-UHFFFAOYSA-N 318.314 3.234 5 40 DGBB Cc1ccc(Cl)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 5547263 VSTJYSGVYVDMHQ-UHFFFAOYSA-N 316.700 3.357 5 40 DGBB CCOC(=O)[C@H](C)c1ccc(Br)cc1[N+](=O)[O-] 328578464 MDXFOLOHSHKMCP-SSDOTTSWSA-N 302.124 3.024 5 40 DGBB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 13391165 NSSFCLPFSJBLPF-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@@H]2CC[C@H]1C2 528853 ASXTUVFJHPBHEQ-AZLWOZFGSA-N 318.398 3.357 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nccc(Cl)n2)c([N+](=O)[O-])c1 1849717 OYLMMNZGIDHZGG-UHFFFAOYSA-N 312.694 3.098 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cc(C2CC2)on1 25575344 WVSTWAPJPXUBBV-SNVBAGLBSA-N 315.329 3.293 5 40 DGBB O=[N+]([O-])c1cccnc1Nc1ccc(NC2CCOCC2)cc1 69561353 UUJXPORVAURFCM-UHFFFAOYSA-N 314.345 3.324 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1ccccc1 74174232 QMKLRUYIBUJJEU-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB Cc1nc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)oc1C 95983961 ODLWXQQYWHPUNR-UHFFFAOYSA-N 306.709 3.251 5 40 DGBB CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 78671230 PJMKSUXECWKQSX-CYBMUJFWSA-N 324.352 3.155 5 40 DGBB CCCN(C(=O)c1csnc1C)c1cccc([N+](=O)[O-])c1 194126538 UYTKAUMHOYDUOC-UHFFFAOYSA-N 305.359 3.417 5 40 DGBB CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(C1CC1)C1CC1 67992055 IZDIFZNTUQAZLF-UHFFFAOYSA-N 310.300 3.134 5 40 DGBB COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 15193317 KZYBNTLRVQRETG-UHFFFAOYSA-N 320.326 3.004 5 40 DGBB Cc1occc1-c1nnc(Sc2ncccc2[N+](=O)[O-])o1 7186299 PJBHOWCIALGOGJ-UHFFFAOYSA-N 304.287 3.092 5 40 DGBB C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)OC[C@]32C 141194954 IZWDZBPUWSWQNY-KLWIRTJPSA-N 316.357 3.129 5 40 DGBB O=C1N[C@@H](c2csc([N+](=O)[O-])c2)Nc2cc(Cl)ccc21 48619429 MVOMIQXLYQUAGO-NSHDSACASA-N 309.734 3.164 5 40 DGBB Ic1cccc2cc3cccc[n+]3cc12 1713647 WLEMCCYVTJLPTL-UHFFFAOYSA-N 306.126 3.183 5 40 DGBB Cc1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 7053292 YUGZKWQTIDHZLG-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 1458158 NUWMYORLVFUAAR-SFYZADRCSA-N 306.240 3.039 5 40 DGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F 22864258 PDJWXRJSZWYHJD-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB O=C(Cc1c[nH]c2ccccc12)OCc1cccc([N+](=O)[O-])c1 8036327 YZTVEKJJXLIOHW-UHFFFAOYSA-N 310.309 3.362 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC1=CCCCC1 24537587 WMYHGSCXTSVCOY-UHFFFAOYSA-N 303.362 3.257 5 40 DGBB COc1cc(F)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 71884397 XYHJKDLVJNUHAQ-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB C[N+](C)(C)CCCNC(=O)C(c1ccccc1)c1ccccc1 1655956 QMHXUWPGSKWMAS-UHFFFAOYSA-O 311.449 3.031 5 40 DGBB CCOc1ccc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])cc1 354016 AKXFDARWJZWDQV-FOCLMDBBSA-N 311.293 3.358 5 40 DGBB CCOc1ccccc1Nc1ccc2nonc2c1[N+](=O)[O-] 4333443 FLSDAMQYWOXSHT-UHFFFAOYSA-N 300.274 3.273 5 40 DGBB COc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-] 6258837 YPOVVSYTVVXZMA-UHFFFAOYSA-N 323.308 3.404 5 40 DGBB O=[N+]([O-])c1cccc(CSc2nnc(NC3CC3)s2)c1 9516427 MMNFKVMVGAJPDT-UHFFFAOYSA-N 308.388 3.313 5 40 DGBB C[C@@H]1CN(C(=O)c2cccc3nc4ccccc4nc23)C[C@@H](C)O1 76494955 USDMCIKXMRWQOU-CHWSQXEVSA-N 321.380 3.032 5 40 DGBB CSC1(CNc2ccc([N+](=O)[O-])cc2F)CCOCC1 78412495 RHEOECHNKCNLFF-UHFFFAOYSA-N 300.355 3.058 5 40 DGBB C[C@H](C(=O)NCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 390835699 VHEFBQRWJGNGQQ-LBPRGKRZSA-N 316.332 3.196 5 40 DGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCCC1 11617107 ZFFAWJGVDWLYCL-HCXYKTFWSA-N 312.518 3.455 5 40 DGBB biogenic C[C@H](c1ccccc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40079782 FMQMZCTYBBTCNL-LLVKDONJSA-N 324.340 3.304 5 40 DGBB COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc3ccccc3o2)c1 44976295 XMNBTBAXORBBLL-UHFFFAOYSA-N 314.253 3.315 5 40 DGBB O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(F)c1 6507526 HWVLKJUAAKHWJX-UHFFFAOYSA-N 323.711 3.438 5 40 DGBB O=[N+]([O-])c1ccc(Nc2nc3ccccc3nc2Cl)cc1 408755267 CLPFGKKRDGEITH-UHFFFAOYSA-N 300.705 3.935 5 40 DGBB COc1cc(C=O)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 95098645 ZZPFXHYRTATFFO-UHFFFAOYSA-N 301.298 3.303 5 40 DGBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnc2ccccc2c1 32816495 WLPJOWNGIPUWDV-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB Cc1ccc(C(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1C 2628071 YZOHQTKMEWMIJB-CYBMUJFWSA-N 301.346 3.469 5 40 DGBB O=[N+]([O-])c1c(NCc2cccc3c2OCO3)ccc2ncccc12 58065564 BDDOKFXAMHIHEF-UHFFFAOYSA-N 323.308 3.484 5 40 DGBB CSc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 23409308 GYRWRGMVFYOOCH-MRXNPFEDSA-N 318.398 3.140 5 40 DGBB COCc1ccccc1CNc1ncnc2ccc([N+](=O)[O-])cc12 71913871 UBWJTTFRKMDCTJ-UHFFFAOYSA-N 324.340 3.297 5 40 DGBB COc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 172201090 JTLRGIQLYJSSKD-UHFFFAOYSA-N 317.301 3.256 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(C(F)F)[nH]1 216903835 JGUZFCOUJPDYJZ-UHFFFAOYSA-N 306.681 3.455 5 40 DGBB COCCn1c(C)c(C)c2c1nc(C)n1c3ccccc3nc21 6665436 NYKPIKWMPMUAKH-UHFFFAOYSA-N 308.385 3.409 5 40 DGBB CC(C)(C)Nc1nnc(Sc2ncccc2[N+](=O)[O-])s1 9647531 XBFMDBQIKBYERR-UHFFFAOYSA-N 311.392 3.203 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCc2nccn2CC(F)(F)F)c1 57745658 GJNRORZLAOGHQZ-UHFFFAOYSA-N 315.251 3.241 5 40 DGBB Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C 8148806 PYOABCOCNSQHIT-UHFFFAOYSA-N 321.354 3.407 5 40 DGBB CCc1nnc([C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 95978775 AQRICYNSLKEAJP-SECBINFHSA-N 324.768 3.387 5 40 DGBB O=[N+]([O-])c1cc(Br)c(F)cc1OCc1ccon1 188663451 TXNMJHLMXHMHIT-UHFFFAOYSA-N 317.070 3.063 5 40 DGBB Cc1c(C(=O)N[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] 12888386 JLANIODMIJQYRR-AWEZNQCLSA-N 312.325 3.157 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 5864313 ZMYQIFPFCXOGDB-CYBMUJFWSA-N 314.341 3.021 5 40 DGBB Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 7442879 VGYAZIWXVIXGOD-MELADBBJSA-N 320.389 3.223 5 40 DGBB O=C(Sc1nncc2ccccc12)c1cccc([N+](=O)[O-])c1 5777443 KXTUZRJILXNUDI-UHFFFAOYSA-N 311.322 3.471 5 40 DGBB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C(C)C 8232197 PRZCCAAIQUARPG-UHFFFAOYSA-N 317.345 3.251 5 40 DGBB CCOC(=O)c1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc1 58154787 AZGMDHHZCZQFMA-LLVKDONJSA-N 315.329 3.340 5 40 DGBB Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])cc1 4891989 FRFFGMIREKXFRS-GFCCVEGCSA-N 300.314 3.257 5 40 DGBB O=C(Nc1cc(F)c(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 82238019 QJOOIQHGJGYOPF-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB C[C@H]1CCCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)C1 13674960 DLKUDQROTTWMJC-LBPRGKRZSA-N 308.403 3.087 5 40 DGBB Cn1c(=O)c2c3ccccc3oc3ccc(Cl)cc3c=2c1=O 83407191 SXBRBFUCPUGEOA-UHFFFAOYSA-N 311.724 3.023 5 40 DGBB C[N+](C)(CCO)CCN1c2ccccc2Sc2ccccc21 1638845 JJMAOUUBZBFSGN-UHFFFAOYSA-N 315.462 3.358 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)C[C@@H]1CC[C@]23C 100920623 IZWDZBPUWSWQNY-UQCMEYCASA-N 316.357 3.129 5 40 DGBB CCOC[C@H]1CCN(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)C1 81606708 QQHUSEUCBJDUMP-LBPRGKRZSA-N 321.377 3.048 5 40 DGBB Cc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 5343529 KEYFVQMBVWIOKS-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1C 42665509 VQERHJIYDGMRSQ-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=C(O)/C=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 33381301 NXEAFENRUYAQEV-ALCCZGGFSA-N 302.311 3.239 5 40 DGBB CN(CCc1cccs1)C(=O)NCc1ccc([N+](=O)[O-])cc1 96439139 QIMRIQOOEIPOGK-UHFFFAOYSA-N 319.386 3.040 5 40 DGBB COc1cc(CNc2nc3ccccc3o2)cc([N+](=O)[O-])c1O 97231822 UHAQSCCZYDPMQZ-UHFFFAOYSA-N 315.285 3.062 5 40 DGBB Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)oc2c2ccccc21 343898 YJPAUNIGQCRWCM-UHFFFAOYSA-N 319.316 3.018 5 40 DGBB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([N+](=O)[O-])o1 32818708 VAHFPRDJIQXDGJ-UHFFFAOYSA-N 313.269 3.459 5 40 DGBB O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2742397 CXZWDRISTWXZKE-UHFFFAOYSA-N 319.317 3.123 5 40 DGBB C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 63282788 OSPIHKAPDXAHFU-GFCCVEGCSA-N 317.389 3.113 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CC1 75435457 WESABSVACYSXHO-UHFFFAOYSA-N 302.374 3.461 5 40 DGBB Cc1nc(N[C@H](C)[C@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] 95966048 JHZFXFZQMKMUMK-PSLIRLAXSA-N 323.299 3.110 5 40 DGBB CSC[C@H](C)C(=O)Nc1nccc2c([N+](=O)[O-])cccc12 585140512 GLNSYDCRCYRJCG-VIFPVBQESA-N 305.359 3.081 5 40 DGBB CC[N+]1(Cc2cc(CCC(=O)OC)ccc2OC)CCCCC1 502033 MRFWJCAPJYSHGM-UHFFFAOYSA-N 320.453 3.321 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 55667949 NJQJKPQBAOLUFD-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB CCN(Cc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 56459532 YMVXUSOINSOZGG-UHFFFAOYSA-N 313.357 3.327 5 40 DGBB O=[N+]([O-])/C=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 33708869 KJINXTDQRQOISL-CMDGGOBGSA-N 300.270 3.421 5 40 DGBB COc1cc(OC)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 59313515 XHLAYXJGLNTXQU-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB Cc1nn(Cc2coc(-c3cccs3)n2)c(C)c1[N+](=O)[O-] 5346682 KJTAPFYDLNFKCK-UHFFFAOYSA-N 304.331 3.173 5 40 DGBB O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 3195062 QTZLJEBTHCKGQY-UHFFFAOYSA-N 322.660 3.376 5 40 DGBB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1[N+](=O)[O-] 13647767 FJOLMYQUIGORFX-UHFFFAOYSA-N 316.332 3.405 5 40 DGBB Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 4833215 FDIYLVLRSCZIFW-UHFFFAOYSA-N 300.314 3.229 5 40 DGBB C[C@@H](OC(=O)c1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 32776053 MILSURUPMKZVKL-LLVKDONJSA-N 323.308 3.456 5 40 DGBB CCCCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 72332118 GCPYSFJYKSHPQG-UHFFFAOYSA-N 316.361 3.081 5 40 DGBB O=C(CSc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3604054 OVTFEBDMRYJNKE-UHFFFAOYSA-N 306.318 3.465 5 40 DGBB CCc1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 22530212 IHMCPUYCSYMQRD-UHFFFAOYSA-N 318.280 3.445 5 40 DGBB O=C1OCC(c2ccc(F)c(F)c2)=C1c1ccc([N+](=O)[O-])cc1 3300937 ICIAVZUQTLERLD-UHFFFAOYSA-N 317.247 3.341 5 40 DGBB Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] 7777012 VJHCOJIARXARME-BXUZGUMPSA-N 305.378 3.010 5 40 DGBB C[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 68824656 OSPIHKAPDXAHFU-LBPRGKRZSA-N 317.389 3.113 5 40 DGBB O=C1NC(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1 18153829 TUIXGJXLGKYLFD-UQZKWGPRSA-N 310.718 3.041 5 40 DGBB O=[N+]([O-])c1ccc(Nc2cccc(OC[C@H]3CCCO3)c2)nc1 40062927 CVHIKCIVYWMWOB-OAHLLOKOSA-N 315.329 3.291 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(C)ccc1C 10701133 YEPLRNUJMJEEMO-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB CC(C)(C)NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F 3199558 BSNWGLAZGQCQAV-QPJJXVBHSA-N 314.288 3.124 5 40 DGBB C[C@@H]1Cc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 28066024 AQLRQIBJCVMFBI-SNVBAGLBSA-N 322.324 3.063 5 40 DGBB Cc1c([C@H](C)NCc2cn3ccsc3n2)cccc1[N+](=O)[O-] 95421029 CMWYWUDLDHPFNR-NSHDSACASA-N 316.386 3.463 5 40 DGBB COc1cc(Br)c([N+](=O)[O-])cc1Br 409416880 RZFFKWMLIIIPCA-UHFFFAOYSA-N 310.929 3.128 5 40 DGBB C[C@@H](Oc1ccc(N(C)C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 75104963 UFVNROYGDXCEML-LLVKDONJSA-N 315.329 3.250 5 40 DGBB Cc1ccccc1[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 24060926 KCAMHPGYOGEUGF-LBPRGKRZSA-N 324.340 3.084 5 40 DGBB CC(C)CCC[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 6906661 RNFPODJMFZDGSO-ZBFHGGJFSA-N 324.421 3.139 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCOCC1 4276710 SLNXEZONKBFODJ-UHFFFAOYSA-N 310.659 3.104 5 40 DGBB O=[N+]([O-])c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 5770131 AHDWTFBJCPOBGU-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1[N+](=O)[O-] 24579290 HDGSXMIFDAAAPY-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB CC(=O)c1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 9157087 AMXVPZMPXBIAQD-UHFFFAOYSA-N 303.299 3.299 5 40 DGBB Cc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)ccc1-n1cncn1 95964518 IOBLJYQVUCSPIR-DUXPYHPUSA-N 307.313 3.049 5 40 DGBB CCCC1(CCC)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 225350478 FCYMPQQEZJBTHE-UHFFFAOYSA-N 308.407 3.090 5 40 DGBB C[C@H]1C[N+]2(CCCCC2)C[C@](O)(c2ccc3ccccc3c2)O1 162694 CSBRGCIERQWWEN-OXJNMPFZSA-N 312.433 3.404 5 40 DGBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1615704 RZSBJDXJIQWRBM-UHFFFAOYSA-N 302.242 3.031 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2080115 GLARJPKFAAHQBC-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB O=[N+]([O-])c1ccc(NC2CCN(CC3CCCC3)CC2)nc1 63282591 OHMZMWYDRWJOBY-UHFFFAOYSA-N 304.394 3.056 5 40 DGBB O=[N+]([O-])c1ccc(NCCOC23CC4CC(CC(C4)C2)C3)nc1 18247489 ATBCNAXNERLQAW-UHFFFAOYSA-N 317.389 3.387 5 40 DGBB O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1ccc(Cl)cc1 50015760 DNQMHPYONSNIMI-OAHLLOKOSA-N 306.749 3.071 5 40 DGBB CCOc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 10448450 LTDPVDZDSSVFME-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB C[C@H]1Cc2ccccc2N1c1ncc([N+](=O)[O-])c(NC2CC2)n1 32824968 CDWHISYRADEKRL-JTQLQIEISA-N 311.345 3.042 5 40 DGBB Cc1c(NC(=O)c2noc3c2CCCC3)cccc1[N+](=O)[O-] 20295811 MVSTZEWVQWRHSU-UHFFFAOYSA-N 301.302 3.022 5 40 DGBB Cc1[nH]ncc1CCCNc1ccc([N+](=O)[O-])c2cnccc12 24204830 NCUHQAIUMDYNOP-UHFFFAOYSA-N 311.345 3.219 5 40 DGBB Cc1noc(C)c1CNc1cc([N+](=O)[O-])ccc1OC(F)F 55843225 FSJBTMJWXULUDB-UHFFFAOYSA-N 313.260 3.413 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(c3ncc[nH]3)CC2)c2ccncc12 58156551 ZHRGKAOKDOKIKN-UHFFFAOYSA-N 323.356 3.250 5 40 DGBB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 8555979 DLBAAKPBPCSUJE-UHFFFAOYSA-N 315.782 3.107 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-n2ccnc2)c1 69453299 NMDYRJHZYBCYIY-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB O=[N+]([O-])c1c(NCc2ccc3c(c2)OCO3)ccc2ncccc12 42109290 RZABXMLJLRDHPH-UHFFFAOYSA-N 323.308 3.484 5 40 DGBB O=C(c1cnc2[nH]c(=O)c3ccccc3c2c1)c1ccccc1O 12893094 YDOFNVUFGAUTIU-UHFFFAOYSA-N 316.316 3.013 5 40 DGBB O=C(Nc1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])cc1Cl 6526289 RTHUGHRCGFKOIU-UHFFFAOYSA-N 323.761 3.446 5 40 DGBB O=C(O)c1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 13167536 ZIFGDMYTRTUECD-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB O=C(O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 68131 OFCNEBDIUCWLCY-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1cccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 16147937 DBWUDBXOMSJQHJ-UHFFFAOYSA-N 314.341 3.054 5 40 DGBB O=[N+]([O-])c1cccnc1NC[C@H](c1ccco1)N1CCCCC1 21363923 OBFZGFPDNYRLDM-CQSZACIVSA-N 316.361 3.222 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2[nH]ncc12 42056662 SDHGBDWVOGFGHE-UHFFFAOYSA-N 324.340 3.133 5 40 DGBB CC(=O)c1ccc(N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 24208143 GECZTMFGXWYWNB-UHFFFAOYSA-N 319.405 3.106 5 40 DGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 12970642 DTZSAHGJJCNDQK-SECBINFHSA-N 321.720 3.049 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccco3)CC2)c(Cl)c1 8780267 VLGCRZHGAQYMNT-UHFFFAOYSA-N 321.764 3.163 5 40 DGBB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 30266696 KSUIHJGJIKYBNW-GWJCSSMESA-N 311.341 3.013 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 2726358 MYHQZNFODPMDEN-UHFFFAOYSA-N 306.318 3.465 5 40 DGBB CC(=O)c1ccc(N2CCC[C@H]2c2cc(C)on2)c([N+](=O)[O-])c1 29527088 LXJOSIUBBWVEDX-AWEZNQCLSA-N 315.329 3.435 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(CCO)cc2)c1 40738612 NLONJURKAMNUPG-UHFFFAOYSA-N 306.749 3.395 5 40 DGBB CCC(C)(C)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777407 IQBWPVGRHQPZLG-UHFFFAOYSA-N 323.374 3.133 5 40 DGBB CCc1ccc(NC(=O)N2CCC[C@@H](COC)C2)cc1[N+](=O)[O-] 89286508 CJCBWULTUNPLDE-GFCCVEGCSA-N 321.377 3.048 5 40 DGBB C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 5382394 KRTATNOTKFNEFT-HBDMFJAWSA-N 309.433 3.169 5 40 DGBB O=C(Oc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[N+](=O)[O-] 3281633 GSWQJWKXMAYODT-UHFFFAOYSA-N 321.672 3.196 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc2ccccc21 6546804 WFLQJPKRTQEUKQ-UHFFFAOYSA-N 309.325 3.497 5 40 DGBB CCOCCCNCc1cc(=O)oc2ccc3ccccc3c12 12916992 XOORHIPVARLWBO-UHFFFAOYSA-N 311.381 3.462 5 40 DGBB COc1ccc(NC(=S)NC2CCCCC2)c([N+](=O)[O-])c1 5335250 OICBTRLSXRQUDR-UHFFFAOYSA-N 309.391 3.223 5 40 DGBB Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 20444591 KXNOTNFTDYFDHS-XHBSWPGZSA-N 320.389 3.225 5 40 DGBB CCc1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1C 40118934 AMTRFZJVSZLPMC-UHFFFAOYSA-N 305.359 3.483 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl 4014287 IWQYRZCSIXTGCN-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB O=C(CSCc1cccnc1)Nc1ccc(F)cc1[N+](=O)[O-] 72274405 LHRFAIQLBONCBT-UHFFFAOYSA-N 321.333 3.001 5 40 DGBB COc1c2ccccc2c(OC)c2cc(S(C)(=O)=O)ccc12 584904531 QOCRNKWFLNIAQY-UHFFFAOYSA-N 316.378 3.414 5 40 DGBB COc1ccc(C(=O)NCCCC2CCCC2)cc1[N+](=O)[O-] 12974219 DSLHSYINODORMJ-UHFFFAOYSA-N 306.362 3.304 5 40 DGBB O=C(Nc1cccc2c1[nH]c(=O)c1ccccc12)C(F)(F)F 8627883 GDEWNPIALCTPLY-UHFFFAOYSA-N 306.243 3.182 5 40 DGBB Cc1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1[N+](=O)[O-] 8395222 QMPTUKVNMKGQCJ-UHFFFAOYSA-N 316.361 3.044 5 40 DGBB Cc1nc(C)c([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])s1 56021746 IUOWFFHECBQYOI-VIFPVBQESA-N 305.359 3.159 5 40 DGBB CCOC(=O)[C@@H]1Nc2ccc3cc4ccccc4cc3c2[C@H]1O 3844867 BGJKGDOANYUTPX-QZTJIDSGSA-N 307.349 3.384 5 40 DGBB biogenic Nc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1 2380398 AELIUOOJSQZFQO-UHFFFAOYSA-N 300.137 3.063 5 40 DGBB CC(C)c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 6590976 PWVKNYLKNWZQNI-UHFFFAOYSA-N 307.331 3.076 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1 9610038 XNHPBMKXDONDGO-CHWSQXEVSA-N 313.357 3.273 5 40 DGBB COC(=O)Cc1cccc(Oc2ncc(Cl)cc2[N+](=O)[O-])c1 153744682 DCOLMCCXRWMUFS-UHFFFAOYSA-N 322.704 3.151 5 40 DGBB Cc1ccc(O[C@@H](C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 7463852 VHEMZXGHBWMXST-ZDUSSCGKSA-N 320.389 3.367 5 40 DGBB C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1 27663354 BKATUBXXKHXXQL-JTQLQIEISA-N 300.318 3.015 5 40 DGBB C[C@H](Cc1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 71894053 LLRAMKAPNQJDKE-SECBINFHSA-N 308.721 3.202 5 40 DGBB CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 96432318 YQNRSRJSPFFHEG-NWDGAFQWSA-N 308.403 3.341 5 40 DGBB Cc1nc(/C=C/C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cs1 31930816 HFZFXMZJMRYPBI-BQYQJAHWSA-N 317.370 3.032 5 40 DGBB O=[N+]([O-])c1ccc2nc(O)c(/C=C(\O)c3ccccc3)nc2c1 101712644 STBHFUGEKVMJSL-DHDCSXOGSA-N 309.281 3.300 5 40 DGBB O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 67799336 RRKQNMKYVLJFTC-UHFFFAOYSA-N 307.309 3.341 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1F 40095723 NTELATIDLCICHW-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 32923292 VRXUMMGEXKAGKI-UHFFFAOYSA-N 320.320 3.388 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc2ccccn12 3370772 PPHXSEFPXIMYIZ-UHFFFAOYSA-N 306.734 3.442 5 40 DGBB COc1ccc(NC(=O)c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 19160155 XXJMLYSIGCXEQU-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB CCN(CC)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 199798885 OIQNFGKXVTXUIX-UHFFFAOYSA-N 322.756 3.023 5 40 DGBB COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 5172238 UTEUFNLCTSYCTJ-UHFFFAOYSA-N 300.314 3.093 5 40 DGBB CCc1nc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 71795768 MGKRSHZUKKIRBK-UHFFFAOYSA-N 305.359 3.199 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)C1CC1 30303744 QAXLPOHNMIBWRQ-UHFFFAOYSA-N 316.382 3.390 5 40 DGBB Cc1cc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 168401 MMCBTAQFEJVYTK-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1SCSCS1 4392053 BRVHLLJPKSEPNY-UHFFFAOYSA-N 316.429 3.296 5 40 DGBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCCCC1 59402326 SPXIABDCXGTKAG-LBPRGKRZSA-N 322.365 3.037 5 40 DGBB Cc1nc(NC(=O)[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] 96475315 UTKLGJSLQVBKPD-LLVKDONJSA-N 315.354 3.126 5 40 DGBB C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 108106533 PKZFGGRLDDOZHT-GWCFXTLKSA-N 305.359 3.018 5 40 DGBB Cc1ccc2nsnc2c1NC(=O)c1cccc([N+](=O)[O-])c1 97632 MJHWDTHSSVMWLY-UHFFFAOYSA-N 314.326 3.160 5 40 DGBB CN1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1 346738 KOHBEDGHTZPTIB-UHFFFAOYSA-N 304.393 3.105 5 40 DGBB Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] 5921576 LQZGYIINDKKKKU-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB CC[C@H](c1nc(-c2cccs2)no1)n1nc([N+](=O)[O-])cc1C 17054893 ZJXUNVHDOIYAOB-SECBINFHSA-N 319.346 3.211 5 40 DGBB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])o1 43549530 MVEWEBIRVDJQFB-MRXNPFEDSA-N 323.308 3.102 5 40 DGBB CCc1nc(SCc2ccc([N+](=O)[O-])cc2)nc(O)c1C 521394938 BVDSHUPGUXZCRG-UHFFFAOYSA-N 305.359 3.254 5 40 DGBB Cc1c(OCC(=O)N2CCCCCCC2)cccc1[N+](=O)[O-] 59012627 FUGJJJZXWFWXHX-UHFFFAOYSA-N 306.362 3.075 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 3151936 ADEJUPOWEXTKNW-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB O=C1/C(=C/Nc2ccc([N+](=O)[O-])cc2)Cc2nc3ccccc3n21 104752648 VJTJZJZYQDWZOC-ZHACJKMWSA-N 320.308 3.137 5 40 DGBB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1[N+](=O)[O-] 409019869 ZOPRSYVUOBRHDG-KPKJPENVSA-N 322.342 3.048 5 40 DGBB CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C1CC1)C1CC1 50989515 ZMXGZWPOVJDNMZ-UHFFFAOYSA-N 318.373 3.082 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ccccc1 5947598 QGWKJRFLRKBPIM-UHFFFAOYSA-N 320.282 3.352 5 40 DGBB CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@@H](C)CC2 100635346 BVMTXCBOKLIHDI-JTQLQIEISA-N 322.364 3.424 5 40 DGBB biogenic O=[N+]([O-])C[C@H](c1ccccc1)[C@H](C[N+](=O)[O-])c1ccccc1 1577870 IBGHHMAKPMJOSH-HZPDHXFCSA-N 300.314 3.107 5 40 DGBB COCCn1c(SCc2ccc([N+](=O)[O-])cc2)nc(C)c1C 46028976 XNLHQLXJGPXOHF-UHFFFAOYSA-N 321.402 3.347 5 40 DGBB CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 47265740 ULMRDSZFGJUZOL-UHFFFAOYSA-N 320.370 3.407 5 40 DGBB Cc1nc(N(C)Cc2nc(C)c3ccccc3n2)ccc1[N+](=O)[O-] 95414900 APWWMJQZWUWPEC-UHFFFAOYSA-N 323.356 3.186 5 40 DGBB O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCC[C@H]2O)o1 78724841 VNCFERCIMHBZEE-GDBMZVCRSA-N 316.357 3.248 5 40 DGBB COc1c(C(=O)N2CCCC2)cc(C(C)(C)C)cc1[N+](=O)[O-] 72206630 UCSZOBGQISDJIC-UHFFFAOYSA-N 306.362 3.137 5 40 DGBB CCCC[C@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 13938898 DQWAURUGAFVKTQ-LBPRGKRZSA-N 314.407 3.090 5 40 DGBB CC[N+](C)(CC)C[C@H](O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245240471 VVKLZZCUENYXJG-VSZNYVQBSA-N 300.507 3.311 5 40 DGBB CCOc1c(Cc2ccccc2)nnn1-c1ccc([N+](=O)[O-])cc1 257173887 ZZQCCFUHFBGNAH-UHFFFAOYSA-N 324.340 3.165 5 40 DGBB CC(C)CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 5380408 BVKFUGYHNWEZHW-UHFFFAOYSA-N 306.347 3.098 5 40 DGBB Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] 14396285 ALXNXXNSOUKQFS-NSHDSACASA-N 318.304 3.448 5 40 DGBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)c2ccccc21 41968303 MKEOYHCCFCQKGZ-NSHDSACASA-N 311.341 3.452 5 40 DGBB O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 3251776 YRVXHBBVCKEMMW-UHFFFAOYSA-N 302.111 3.037 5 40 DGBB C[C@H](Cc1cccs1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 5603725 QPAGAQRWIDYNBG-SNVBAGLBSA-N 305.359 3.409 5 40 DGBB C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccncc1 97370627 RGGYGMPIQULAAN-GFCCVEGCSA-N 324.340 3.496 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccccc1 72228777 GNMPOWJNLCYTQC-UHFFFAOYSA-N 300.314 3.229 5 40 DGBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCC 6155382 GCYJXPBKOJQORS-AATRIKPKSA-N 316.151 3.494 5 40 DGBB O=C(c1cccc([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1 37868898 JOCXKTDTWSCWBC-UHFFFAOYSA-N 320.308 3.363 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1Br 5936657 VRFBLORWOHWOLX-UHFFFAOYSA-N 322.118 3.005 5 40 DGBB CCCc1cc(=O)[nH]c(SCc2cccc([N+](=O)[O-])c2C)n1 46875588 YXHIWYFVJWMEHE-UHFFFAOYSA-N 319.386 3.231 5 40 DGBB CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 35334127 YVLSYEYBLCJZOR-UHFFFAOYSA-N 304.327 3.275 5 40 DGBB Cc1oc(-c2ccsc2)nc1Cn1c([N+](=O)[O-])cnc1C 69620112 HNJWJLVZVXYRCR-UHFFFAOYSA-N 304.331 3.173 5 40 DGBB O=C(c1ccccc1)c1ccc(Nc2cn[nH]c2)c([N+](=O)[O-])c1 30587611 MQUOVVUPUNWYFQ-UHFFFAOYSA-N 308.297 3.293 5 40 DGBB Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 20417672 OWMIAFAYVINZRY-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1cc(C)c(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 2697004 FSXMZMPRABUIGB-UHFFFAOYSA-N 321.354 3.288 5 40 DGBB Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl 359907 CAPGDMLTAQKIHX-UHFFFAOYSA-N 315.716 3.256 5 40 DGBB CCCCC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 3016533 AVCCZQLJFVMREA-UHFFFAOYSA-N 306.347 3.242 5 40 DGBB CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 3016597 FUFJRADQOCVAHV-UHFFFAOYSA-N 320.374 3.431 5 40 DGBB CCOc1cc(C=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4676723 ULXSWHCSZWANST-UHFFFAOYSA-N 315.281 3.025 5 40 DGBB CN(C)[C@H](CNCc1cccc([N+](=O)[O-])c1)c1ccsc1 58172342 PDHVGKRBDJCLEL-OAHLLOKOSA-N 305.403 3.049 5 40 DGBB O=[N+]([O-])c1cnc(N[C@H](CCO)c2ccccc2)c(Cl)c1 77238176 STRPXSWFJDWIDY-CYBMUJFWSA-N 307.737 3.179 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1cc([N+](=O)[O-])ccc1C 304669 GKMSQVHGUGNIRY-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1ccc2nc(=O)c3cc(F)c(N4CCCC4)c(F)c3n2c1 1424541 MUFMDHGUWHQUMM-UHFFFAOYSA-N 315.323 3.035 5 40 DGBB Cc1csc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 8776487 QTRVKOAGKQGOQK-SECBINFHSA-N 323.399 3.479 5 40 DGBB C[C@](CO)(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 84640212 VKIUKNWPNOQMCM-GFCCVEGCSA-N 304.268 3.187 5 40 DGBB CCOC(=O)[C@H]1Nc2ccc3cc4ccccc4cc3c2[C@@H]1O 3844868 BGJKGDOANYUTPX-ROUUACIJSA-N 307.349 3.384 5 40 DGBB biogenic O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Sc1ccccc1 225126759 WTMKMDLZRCDOAJ-CQSZACIVSA-N 303.339 3.383 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 14398420 NZAAAJUFKVLSNT-LLVKDONJSA-N 318.304 3.448 5 40 DGBB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])cc1 40509663 YBDJURGSCBHJGJ-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1ccc(F)cc1 32904261 YJUHIPRYLXLPAV-GFCCVEGCSA-N 304.277 3.304 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccnc1 41776001 NCXOZKHXBRCKKS-UHFFFAOYSA-N 317.370 3.170 5 40 DGBB Cc1nc(NCC(C)C)nc(NCc2ccccc2)c1[N+](=O)[O-] 56905973 HUEYEPFYQKGMHC-UHFFFAOYSA-N 315.377 3.373 5 40 DGBB CC1(C)CC(n2cc3cc([N+](=O)[O-])ccc3n2)CC(C)(C)N1 4686063 DBKJVJPEJMDLSR-UHFFFAOYSA-N 302.378 3.426 5 40 DGBB O=C(O)c1ccc(COc2cc([N+](=O)[O-])cc3cccnc23)o1 549388 DOWZRUVIDAOZPK-UHFFFAOYSA-N 314.253 3.013 5 40 DGBB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 71857389 NUTOLWGTDPSWAI-SSDOTTSWSA-N 307.281 3.081 5 40 DGBB COc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1OC 216868031 WUBNJIGIAMEXOV-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB CCc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1 73642283 AASWJMLCMHROLL-UHFFFAOYSA-N 323.352 3.237 5 40 DGBB Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1C 160212556 JGRRVAVDBULDIK-UHFFFAOYSA-N 317.370 3.337 5 40 DGBB O=[N+]([O-])c1ccccc1NCc1ccc(C2OCCO2)cc1 71920587 DKAKSLBMPKCDOS-UHFFFAOYSA-N 300.314 3.252 5 40 DGBB CC1(C)C(=O)O[C@H](/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O 529941 FFGXYKSRDSNOTB-MMQHEFTJSA-N 317.341 3.155 5 40 DGBB CO[C@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 78551816 MDGAPEXWRPTJES-AWEZNQCLSA-N 304.277 3.060 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NCc1ccnc(-n2cccn2)c1 95963726 WHAYPMSBQSXXMD-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@H](n3cccc3)C2)c([N+](=O)[O-])c1 5390259 ZKTPKNGKGMKHPU-ZDUSSCGKSA-N 316.317 3.146 5 40 DGBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5161909 OBKCWSBEZHAAMS-UHFFFAOYSA-N 318.314 3.312 5 40 DGBB O=[N+]([O-])c1ccc(OCc2nc(-c3cccs3)no2)cc1 7168726 VZCAGNCRXJVEDA-UHFFFAOYSA-N 303.299 3.285 5 40 DGBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCCC1 4031912 ZFFAWJGVDWLYCL-WJFTUGDTSA-N 312.518 3.455 5 40 DGBB Cc1cc(C(=O)NCCSc2ccccc2)ccc1[N+](=O)[O-] 8361029 XGSSNBOCQBAUSH-UHFFFAOYSA-N 316.382 3.425 5 40 DGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924897 CRMIAKJHRMCHHN-DSRCVFDASA-N 302.374 3.078 5 40 DGBB COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] 5576191 JYKQDGVTIFGWDU-UHFFFAOYSA-N 315.281 3.025 5 40 DGBB CN(C)CCNc1ccc(O)c2sc3ccccc3c(=O)c12 5390212 UVGAMKSBWCQFGK-UHFFFAOYSA-N 314.410 3.094 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 4610458 RTMOHIUWLIAADG-HYJPWMOMSA-N 318.437 3.261 5 40 DGBB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 580044 GHQWWOFKHJNETE-OAHLLOKOSA-N 300.314 3.391 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 23694066 OMHCEEIRCQRUAS-HNNXBMFYSA-N 311.385 3.478 5 40 DGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@@H]2CC[C@@H]1C2 100832892 ASXTUVFJHPBHEQ-XYJYNPGVSA-N 318.398 3.357 5 40 DGBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 5216483 NFLZLOMMIHKQNY-SECBINFHSA-N 321.720 3.049 5 40 DGBB O=C(Oc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5584181 JEZMNYHRVHWFFU-UHFFFAOYSA-N 322.660 3.376 5 40 DGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 9364774 UHSUIBBWVFBSIA-QMMMGPOBSA-N 316.342 3.024 5 40 DGBB O=[N+]([O-])c1ccc(OCc2noc(-c3cccs3)n2)c(F)c1 47355023 FHBLMSDOBMTJMO-UHFFFAOYSA-N 321.289 3.424 5 40 DGBB C[C@@]12C[C@@H]1CCC[C@@H]2OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5409722 ZPHGSYFIQUAFFP-VZJVUDMVSA-N 320.301 3.239 5 40 DGBB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 22744275 MDKZTTDTPDAVTA-SNVBAGLBSA-N 304.277 3.140 5 40 DGBB Cc1nn(C)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 14206853 UTSNQWNUSWMAOL-UHFFFAOYSA-N 316.342 3.104 5 40 DGBB CSc1ncccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 19164663 ZIHLIUHUWUSFMM-UHFFFAOYSA-N 303.343 3.272 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Cl)c1 67793628 XQELPAIFIJNADA-UHFFFAOYSA-N 320.732 3.438 5 40 DGBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC 6892320 OCYDCMMWQKLACB-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB CS(=O)(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 4905893 DELPTWHMKFBOFO-UHFFFAOYSA-N 312.391 3.133 5 40 DGBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(C)=O 8764992 BRURPIJMVPFXOG-UHFFFAOYSA-N 305.337 3.335 5 40 DGBB biogenic C[C@@](c1ccccc1)([N+](=O)[O-])[C@](C)(c1ccccc1)[N+](=O)[O-] 4268151 MZMUWWAGTHZPRB-HOTGVXAUSA-N 300.314 3.371 5 40 DGBB biogenic Cc1cc([N+](=O)[O-])cnc1SCC(=O)Nc1ccccc1 225698912 YSBVPHUYCQYQCM-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB CC(C)N(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 96418777 AMKIVCLTZNYBFJ-BQYQJAHWSA-N 318.373 3.024 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3OCCC[C@@H]13)CCC2 248997861 PPBACDAOLABGBH-RKTXRCNFSA-N 302.374 3.129 5 40 DGBB CC(=O)c1ccc(NC[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 44913991 SRKVYCFYRXBTRK-INIZCTEOSA-N 318.304 3.082 5 40 DGBB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 16212099 VLODDECTLAOXBU-DMDPSCGWSA-N 305.403 3.378 5 40 DGBB CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 3072080 MUNXFVCPUTWWDV-UHFFFAOYSA-N 314.297 3.024 5 40 DGBB Cc1c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] 102186746 QWBNFGIYGCHIFV-OSFYFWSMSA-N 302.374 3.458 5 40 DGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccccc1 22887070 YZQFRLIHMQVLCY-INIZCTEOSA-N 320.776 3.414 5 40 DGBB CCC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 18134994 HHBRVAPQAGEQQA-HNNXBMFYSA-N 313.357 3.448 5 40 DGBB COc1cc(NCc2cc(C(C)C)no2)c([N+](=O)[O-])cc1F 95412052 BFURPZVIYMOPAH-UHFFFAOYSA-N 309.297 3.466 5 40 DGBB O=C(O)c1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 4671640 FVMQSMJTJFRWBR-UHFFFAOYSA-N 319.294 3.142 5 40 DGBB O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@H]4CC[C@@H]4[C@H]23)c([N+](=O)[O-])c1 104286425 LCQCZRRBUXXKQU-OBORUHMCSA-N 304.302 3.064 5 40 DGBB CC(=O)c1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 225991340 BGAPFZOYZRPADM-UHFFFAOYSA-N 324.336 3.468 5 40 DGBB COc1cc(OC)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 5547328 QHFQTHZKVXFATC-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cccc1[N+](=O)[O-] 5537086 NPEGCJDHVKCGLA-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB COc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 73532 POWWFFYSVIFCMG-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB CCN(Cc1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 69620540 YXCCDRSNLQSGLE-UHFFFAOYSA-N 319.317 3.250 5 40 DGBB Cc1cc2c(=O)[nH]c(Cc3ccc([N+](=O)[O-])cc3C)nc2s1 225746550 NNYOHLVGAQFTMC-UHFFFAOYSA-N 315.354 3.100 5 40 DGBB C[C@H](NC(=O)Cn1ccc2c([N+](=O)[O-])cccc21)c1ccco1 71913902 SGCRCTWNATZHGD-NSHDSACASA-N 313.313 3.020 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1 3551644 BCQASAOKRSJYRE-JXMROGBWSA-N 300.289 3.064 5 40 DGBB O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccc2)CC1 4364661 UIBJMSJDIJXDTQ-UHFFFAOYSA-N 312.373 3.066 5 40 DGBB Cc1nc(N[C@@H](C)[C@@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] 95966049 JHZFXFZQMKMUMK-BJOHPYRUSA-N 323.299 3.110 5 40 DGBB Cc1cc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C 4061523 BBFLDAWYGPVSAN-UHFFFAOYSA-N 323.352 3.325 5 40 DGBB CC(C)(C)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 69146 MHHGMULXFMEBHA-UHFFFAOYSA-N 306.347 3.098 5 40 DGBB Cc1cc(C(=O)COc2c(C)ccc([N+](=O)[O-])c2C)c(C)[nH]1 31460792 YKWZQESZYNPUMH-UHFFFAOYSA-N 302.330 3.418 5 40 DGBB O=[N+]([O-])c1cc(CNc2cnn(CC(F)(F)F)c2)cs1 97032688 VPDPPCXASQWSBS-UHFFFAOYSA-N 306.269 3.027 5 40 DGBB O=C(OCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 15275530 RNUKQKFOJYDQPB-UHFFFAOYSA-N 311.677 3.077 5 40 DGBB CCc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 160281369 JPJRZPMKIOUALI-UHFFFAOYSA-N 317.370 3.283 5 40 DGBB O=C(Oc1ccc(-c2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 408529744 OHZCAEVHPCSYRP-UHFFFAOYSA-N 321.292 3.271 5 40 DGBB COc1cccc([C@@H](CO)Nc2ccc([N+](=O)[O-])c(C)c2)c1 76063932 PTAPJEXRZDWXQD-OAHLLOKOSA-N 302.330 3.057 5 40 DGBB Cc1ncc2c(n1)CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1Cl 95398947 RDMQHTHHNCPRKP-CYBMUJFWSA-N 319.752 3.231 5 40 DGBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5363905 XECJKAIQZAYVIU-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2CO)c([N+](=O)[O-])c1 409119306 WBMJLVGIQCDVJS-UHFFFAOYSA-N 324.676 3.441 5 40 DGBB C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1ccnc1 95981728 CAKLQGSXOLKYSA-WBMJQRKESA-N 318.352 3.014 5 40 DGBB CN(C)CCCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12 96193728 KORLXUQXVCENEO-UHFFFAOYSA-N 308.769 3.160 5 40 DGBB O=[N+]([O-])c1ccc(C2N3CCCC[C@H]3[C@H]3CCCCN23)cc1 19320909 LRKQAQJZDSNPOL-SJPCQFCGSA-N 301.390 3.316 5 40 DGBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 7037294 SAQPOTDCFPXGPQ-INIZCTEOSA-N 314.341 3.485 5 40 DGBB O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)Nc2ccccc21 9595692 CAUDLYYKWLPPQU-ZDUSSCGKSA-N 303.705 3.102 5 40 DGBB Cc1c(C(=O)N(C)Cc2ccccc2F)cccc1[N+](=O)[O-] 22373338 DJJXVJDVAWIIMF-UHFFFAOYSA-N 302.305 3.315 5 40 DGBB O=[N+]([O-])C[C@@H](c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 1016387 GMHRZYJJJUFVKQ-AWEZNQCLSA-N 310.309 3.305 5 40 DGBB O=c1oc2ccc([N+](=O)[O-])cc2nc1/C=C(\O)c1ccccc1 102875151 YJDDCKDPBIBXON-ZROIWOOFSA-N 310.265 3.152 5 40 DGBB C[C@H](CCc1ccco1)NC(=O)Nc1cccc([N+](=O)[O-])c1 18173792 JIFXIHPGVIBLRS-LLVKDONJSA-N 303.318 3.331 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1Nc1nccc(-c2cccnc2)n1 31777107 BOYUMEWFHBQARY-UHFFFAOYSA-N 307.313 3.499 5 40 DGBB in-vitro COc1cnc(-c2ccccn2)nc1Oc1cccc([N+](=O)[O-])c1 1386020 QWZGOKWZFLPEJV-UHFFFAOYSA-N 324.296 3.248 5 40 DGBB CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 6022836 USQLTEKACFGBOW-UHFFFAOYSA-N 305.378 3.113 5 40 DGBB COC(=O)CCCCCCCC[C@H](O)C[N+]1(C)CCCCC1 4828742 FMKJRBPZIVEGSX-KRWDZBQOSA-N 314.490 3.272 5 40 DGBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N+](=O)[O-] 5945856 DYKZRWMSLDUAFZ-UHFFFAOYSA-N 300.358 3.293 5 40 DGBB CC(C)Sc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 96487680 JFLJMJBHVJIDLI-UHFFFAOYSA-N 320.374 3.081 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCOCC(C)C 40095682 PRCGOPRKOLYNSG-UHFFFAOYSA-N 309.366 3.087 5 40 DGBB O=C(Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-] 1698182 DQPSUGZZTADITQ-UHFFFAOYSA-N 304.214 3.081 5 40 DGBB C[C@H](NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 55329156 DABNRLQIXXLCEM-JTQLQIEISA-N 305.359 3.217 5 40 DGBB O=C(NCC1(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] 24239161 OWIBALQMSZHFBK-UHFFFAOYSA-N 311.341 3.448 5 40 DGBB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 105872365 VLODDECTLAOXBU-GVXVVHGQSA-N 305.403 3.378 5 40 DGBB Cc1cc(F)ccc1NCC(=O)Nc1cccc([N+](=O)[O-])c1 7978241 VOAQUOVSTUBRCC-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB Cc1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4776270 RWIBJZCXKQTCFR-UHFFFAOYSA-N 300.270 3.237 5 40 DGBB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 20047695 YWGPEXIFGOXBOP-UHFFFAOYSA-N 318.760 3.449 5 40 DGBB CCN(CC)c1c([N+](=O)[O-])cc(Cl)c2nc(N)sc12 45891390 YQFGKXLRRZBBOS-UHFFFAOYSA-N 300.771 3.286 5 40 DGBB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 147187796 NGEVAZIADBQPGZ-GFCCVEGCSA-N 321.377 3.088 5 40 DGBB Cc1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 8097414 BQBFCWMILJCECR-UHFFFAOYSA-N 312.369 3.413 5 40 DGBB CCOC[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc23)C1 97083903 QOHZVLRPDVDJAW-ZDUSSCGKSA-N 315.373 3.314 5 40 DGBB O=C(NCc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 72331449 LRSBAQBLXANHHD-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB Cc1c([C@@H](C)NCCOc2cccnc2)cccc1[N+](=O)[O-] 96477689 ALKJZCUVKMEVOO-CYBMUJFWSA-N 301.346 3.028 5 40 DGBB O=C1c2ccc(Cl)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 5002548 VXMWSGAEUNOYOB-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB Cc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 59852 YJQBCUWRWHQCEJ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=C(O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3845521 TUVJTTUOKIBECK-RIYZIHGNSA-N 314.253 3.128 5 40 DGBB Cc1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 1748001 RGAPMGJQOBAIRC-UHFFFAOYSA-N 320.355 3.222 5 40 DGBB COc1ccc(NC(=O)CCc2ccc(C)o2)c([N+](=O)[O-])c1 28166559 PMLKTRYBONOZSR-UHFFFAOYSA-N 304.302 3.076 5 40 DGBB Cc1ccc(NC(=O)CNc2cccc(F)c2)c([N+](=O)[O-])c1 6602198 QGHKZEHUMYJJOS-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2ccnc2)cc1 95464220 VHAGGTFHHZJQMQ-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB O=Cc1cn(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc12 5660826 ZSSSRSGFIDOCCA-UHFFFAOYSA-N 323.308 3.001 5 40 DGBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccccc1[N+](=O)[O-] 216959753 LXQDBJBDYKMJHI-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB Cc1c(CO)c2ccccc2n1C(=O)Cc1ccc([N+](=O)[O-])cc1 216952336 GKRLXDMURHOEAZ-UHFFFAOYSA-N 324.336 3.233 5 40 DGBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 91364335 KDBDFFJYINSEQA-GFCCVEGCSA-N 321.377 3.040 5 40 DGBB O=[N+]([O-])c1ccc(NCCNCc2cccc(Cl)c2)cc1 8418238 XJFLPFAJHQJENQ-UHFFFAOYSA-N 305.765 3.450 5 40 DGBB Cc1cc(C)c(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C)c1 1628074 QCCDASOPVJFNAY-UHFFFAOYSA-N 321.354 3.288 5 40 DGBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F 135682179 QBGHPMJUSOKFAE-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB C[N+]1(CCOC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)CCCCC1 4029179 YEBJFOUHZMECGW-KTVLMBSMSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro O=[N+]([O-])c1c(F)cccc1NCc1ccc(N2CCCC2)nc1 57137689 MUFBEKGUFYNCSA-UHFFFAOYSA-N 316.336 3.341 5 40 DGBB COCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 44548882 LGICPQJJZIFVKG-UHFFFAOYSA-N 306.343 3.363 5 40 DGBB O=[N+]([O-])c1cnccc1N1CCC(CN2CCCCCC2)CC1 66808780 HOLQQHTXLAHNHB-UHFFFAOYSA-N 318.421 3.082 5 40 DGBB Cc1ccc(OCC(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])n1 5970032 FECLGKAYKIEPJA-UHFFFAOYSA-N 312.325 3.049 5 40 DGBB Cc1ccc(-c2nnc([C@H](C)n3cc([N+](=O)[O-])cn3)o2)cc1C 97047988 JQNSTFVVPHQWQX-NSHDSACASA-N 313.317 3.067 5 40 DGBB Cc1cc(NC(=O)c2cscn2)c2cc([N+](=O)[O-])ccc2n1 95943180 YHPDZPLHHKRMSG-UHFFFAOYSA-N 314.326 3.160 5 40 DGBB O=[N+]([O-])c1c(F)cccc1NCc1nnc(C2CC2)n1C1CC1 127073894 PKCICKMLIGDBKE-UHFFFAOYSA-N 317.324 3.150 5 40 DGBB CC(C)C[C@H](C)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 225572134 UCWHUAYIQFLYIW-VIFPVBQESA-N 317.183 3.201 5 40 DGBB O=[N+]([O-])c1cc(Br)cc(OCC(F)(F)F)c1 169800488 MTNGQCNCWQGCMG-UHFFFAOYSA-N 300.030 3.298 5 40 DGBB Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F 3515115 CFMQMBDZEFLCEY-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB C[C@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 24216931 JOSUCFVZONXTQW-VIFPVBQESA-N 323.349 3.085 5 40 DGBB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])ccc21 47296120 BLNIJSHJJUGWEG-PBHICJAKSA-N 323.352 3.418 5 40 DGBB CC(C)[N+]1(C)[C@H]2CC[C@H]1CC(C(=O)[C@H](CO)c1ccccc1)C2 504279862 FPHNWKCKNIVGKU-XPKGASNUSA-N 316.465 3.128 5 40 DGBB COC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 189798693 AISCILCWIZWEDA-CYBMUJFWSA-N 320.389 3.217 5 40 DGBB CC[N+](C)(CC)CCn1c(=O)c2ccccc2n1-c1ccccc1 5469388 XFBRDDPJKVHOFR-UHFFFAOYSA-N 324.448 3.279 5 40 DGBB CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 2679924 MTIURMOKUIXZIC-CYBMUJFWSA-N 324.421 3.139 5 40 DGBB Cc1c(NC(=O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] 8266767 NRRUTXWILUNICD-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB CN(C)c1ccc(CCCNc2ncccc2[N+](=O)[O-])cc1 32825033 BVQQRWJADKPOCO-UHFFFAOYSA-N 300.362 3.101 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1nccs1 42652242 YADROCQQPWZAKK-VIFPVBQESA-N 306.347 3.276 5 40 DGBB Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1OCCc2sccc21 78478969 HADZPKARDSJJHE-LBPRGKRZSA-N 305.359 3.086 5 40 DGBB O=C(NCCOC1CCCCCC1)c1ccccc1[N+](=O)[O-] 96411270 MYMOPPRJHHMFQZ-UHFFFAOYSA-N 306.362 3.064 5 40 DGBB NC(=O)c1ccc(N2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 7981796 UFWHPCFYMBMJGZ-LBPRGKRZSA-N 317.370 3.097 5 40 DGBB CC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 16695542 CSRYRJDUROFNJW-AWEZNQCLSA-N 306.362 3.226 5 40 DGBB O=[N+]([O-])c1cccnc1N(Cc1cccs1)C[C@@H]1CCCO1 79109058 REKRFWXMQZPENR-LBPRGKRZSA-N 319.386 3.237 5 40 DGBB COc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 226291834 MKOCMCLXQONBDE-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC=CC[C@H]2C1 96433635 NSAOOZOPXLGBBQ-STQMWFEESA-N 301.346 3.333 5 40 DGBB O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 3845525 OSOBTAGEUNLROY-UKTHLTGXSA-N 314.253 3.128 5 40 DGBB Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 32842098 MOJKRABUWPQAEP-INIZCTEOSA-N 311.341 3.276 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCSC(C)(C)C1 83539639 QKODBRFBCWGVIK-UHFFFAOYSA-N 309.391 3.263 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(Cl)n1C 96404456 KWPISLLTUDWODA-SNVBAGLBSA-N 308.769 3.175 5 40 DGBB C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] 97080951 JVWQZIZCKGUSDR-SNVBAGLBSA-N 320.374 3.146 5 40 DGBB CCN(CC)C(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 7186664 GSXORYURPPCRQT-UHFFFAOYSA-N 314.345 3.215 5 40 DGBB O=C(Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1C(=O)O 2451685 HBNYOJRYNJEJAI-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB CS[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 97370726 QSJCZKCMTCOEAQ-ZETCQYMHSA-N 303.771 3.121 5 40 DGBB CC[C@H](C)Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 228927333 XSKHUCNIKSTGQR-QMMMGPOBSA-N 322.756 3.387 5 40 DGBB COc1ccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5064222 BIYJEAJHXTYXBN-UHFFFAOYSA-N 302.286 3.352 5 40 DGBB CN(Cc1ccc(Br)cc1)c1ncccc1[N+](=O)[O-] 24107044 PNOZQIDDDZZRSI-UHFFFAOYSA-N 322.162 3.389 5 40 DGBB O=[N+]([O-])c1cccc(-c2csc(NC[C@@H]3CCCO3)n2)c1 6784407 PWQGEUSAGYNNOV-LBPRGKRZSA-N 305.359 3.309 5 40 DGBB O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]ccc2c1 71803326 NFIDKYAZTGBBEP-UHFFFAOYSA-N 310.313 3.398 5 40 DGBB Cc1cc(C)n(CCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 89594190 KHFMZHNHMRFRPX-CQSZACIVSA-N 302.378 3.149 5 40 DGBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409010259 BICWXIRMHMRPFD-OTIXFSKASA-N 322.342 3.135 5 40 DGBB CC(C)NC[C@@H](O)COc1c2ccccc2nc2ccccc12 31772409 JUSVXBAWLVGDTE-CQSZACIVSA-N 310.397 3.126 5 40 DGBB CC(=O)c1ccc(NC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 77236492 CBRMCVICAWHGHI-OAHLLOKOSA-N 320.370 3.179 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1C 40087567 ZPRXTXKZLKFPNL-UHFFFAOYSA-N 312.369 3.494 5 40 DGBB CSCc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 275470207 NUMFQGRAHZUMSS-UHFFFAOYSA-N 306.391 3.112 5 40 DGBB CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](C(=O)[C@@H](CO)c1ccccc1)C2 263583932 FPHNWKCKNIVGKU-FIRLOTFOSA-N 316.465 3.128 5 40 DGBB COc1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 168599 KIUBYIRTUBYMAX-UHFFFAOYSA-N 317.326 3.432 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)C[C@H]1CC[C@@]23C 100920628 IZWDZBPUWSWQNY-HSHDSVGOSA-N 316.357 3.129 5 40 DGBB Cc1cccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)c1 62719634 VPFRDVWPOWWRPQ-UHFFFAOYSA-N 310.313 3.267 5 40 DGBB C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 81805114 WTBIFXKGQTYHBM-SNVBAGLBSA-N 320.370 3.065 5 40 DGBB C[N+]12CCC(CC1)[C@H]([C@](O)(c1ccccc1)c1cccs1)C2 204035 RTYCBSXJHMCRFB-NZVUXIEPSA-N 314.474 3.470 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1 2030679 UBGSLUGBOMGGKK-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB O=[N+]([O-])c1cccnc1NCCNc1ccc2ccccc2n1 58413277 CZYNKMPNJZQYAH-UHFFFAOYSA-N 309.329 3.062 5 40 DGBB O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1NCc1ccccn1 4343988 UYGVWGSEUBROHN-UHFFFAOYSA-N 308.681 3.164 5 40 DGBB O=C(Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] 4532161 QZLBMMPGNZXIAO-UHFFFAOYSA-N 302.246 3.147 5 40 DGBB Cc1cccc(C(=O)Nc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 20496205 LRONBCDPRMIXHA-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB Cc1cc(C)cc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)O)c1 225125722 ZTRIINRSRYXFTB-INIZCTEOSA-N 315.325 3.286 5 40 DGBB Cc1ncsc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 96416496 NIBYHQNLULGRHU-UHFFFAOYSA-N 319.386 3.112 5 40 DGBB Cc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F 15293554 DFRGKDDPBDMIFZ-UHFFFAOYSA-N 317.320 3.401 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(OCc3ccccc3)CC2)nc1 32853549 ZHWMIIKKUMQUPP-UHFFFAOYSA-N 313.357 3.175 5 40 DGBB Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 159689469 IPCWONGFSFTLPX-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB O=[N+]([O-])C[C@@H](c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1 1577869 IBGHHMAKPMJOSH-HOTGVXAUSA-N 300.314 3.107 5 40 DGBB COc1ccc(CSc2nccn2C2CC2)cc1[N+](=O)[O-] 42155240 AXMVGYAVVIZICW-UHFFFAOYSA-N 305.359 3.427 5 40 DGBB Cc1cccc2[nH]cc(CC(=O)NCc3ccccc3[N+](=O)[O-])c12 69532345 AVQNGMAXBZNZQI-UHFFFAOYSA-N 323.352 3.243 5 40 DGBB S=C(Nc1ccc2cc3ccccc3nc2c1)N1CCOCC1 409191053 ZDTFCAKBEXANNW-UHFFFAOYSA-N 323.421 3.417 5 40 DGBB O=C(O)CCC(=O)N(c1ccccc1[N+](=O)[O-])C1CCCCC1 199413800 IZQNACQQZZVARQ-UHFFFAOYSA-N 320.345 3.125 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1Cc1ccccc1 69455416 BFGRFGQIZJYQDP-AWEZNQCLSA-N 314.341 3.425 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 11370512 NFZOGMYTYRGFMO-UHFFFAOYSA-N 321.283 3.314 5 40 DGBB O=C1c2cc([N+](=O)[O-])ccc2-c2cc(Cl)c([N+](=O)[O-])cc21 1674724 YJVVSZBFBKDZPL-UHFFFAOYSA-N 304.645 3.368 5 40 DGBB CC(C)CCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1 6238873 JKVGWZAIRBQROR-UHFFFAOYSA-N 316.365 3.169 5 40 DGBB O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccsc1 95443322 SSKMBBVWCYSTLP-UHFFFAOYSA-N 316.338 3.424 5 40 DGBB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 25424855 CHVGYCIKMXOCBJ-SNVBAGLBSA-N 303.293 3.173 5 40 DGBB Cc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 4548784 OXMWZDDKFVCKMC-UHFFFAOYSA-N 317.389 3.194 5 40 DGBB COc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ncc(Cl)cn1 95406783 WSWMFALFAKPFOA-MRVPVSSYSA-N 308.725 3.220 5 40 DGBB COc1ccc([C@H](O)CNc2c(C)cccc2[N+](=O)[O-])cc1 95963728 OYXDELSQLDSXII-OAHLLOKOSA-N 302.330 3.057 5 40 DGBB Cc1ocnc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 96501178 BMLHFOKDUAAEIB-UHFFFAOYSA-N 315.207 3.162 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1cccnc1 7030976 XPTRGFHAWWRWJE-ZDUSSCGKSA-N 313.357 3.142 5 40 DGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cn1 39539736 NCAGTSSSCNQSMS-UHFFFAOYSA-N 322.708 3.188 5 40 DGBB C[C@@](CO)(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 84640214 VKIUKNWPNOQMCM-LBPRGKRZSA-N 304.268 3.187 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc2c(c1)OCO2 72228662 JHBZFYOGRUOZSJ-UHFFFAOYSA-N 314.297 3.193 5 40 DGBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 5216482 NFLZLOMMIHKQNY-VIFPVBQESA-N 321.720 3.049 5 40 DGBB COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5248407 FBHWDEJQRVQXON-UHFFFAOYSA-N 317.257 3.033 5 40 DGBB CCN(c1ccccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 59132309 LGEMXHFMALIBHH-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB Cc1c(C(=O)OCc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] 6473607 RDYFKCHGEVEWLQ-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB O=C(Nc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 557797 FSBPJQOASKNIGG-UHFFFAOYSA-N 308.240 3.449 5 40 DGBB O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3093870 ZIISJAYCWIJOHJ-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB Cc1cc(C(=O)n2c(C)c(CO)c3ccccc32)ccc1[N+](=O)[O-] 216960934 QBBVGLJWCPSRGW-UHFFFAOYSA-N 324.336 3.347 5 40 DGBB O=[N+]([O-])c1c[nH]nc1-c1cc(Br)ccc1Cl 96527470 CPKACXHFOYNJDE-UHFFFAOYSA-N 302.515 3.401 5 40 DGBB C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)CCCCC1 247694054 YEBJFOUHZMECGW-IRFCIJBXSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 12925196 DWLBMTXOTBDLAD-VIFPVBQESA-N 306.268 3.364 5 40 DGBB COc1ccc(Nc2ccccc2[N+](=O)[O-])cc1NC(C)=O 24213935 KAMHLDZZZFWJQI-UHFFFAOYSA-N 301.302 3.305 5 40 DGBB Cc1c(CO)cc([N+](=O)[O-])c(N2CCCCCCC2)c1[N+](=O)[O-] 71873521 VMWHZSZFPWPMOX-UHFFFAOYSA-N 323.349 3.074 5 40 DGBB COc1cc(NCc2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] 84796890 PIGAAXJLMDMAQW-UHFFFAOYSA-N 315.329 3.174 5 40 DGBB C[C@@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 175164 KHJTYLINCBJQGT-SECBINFHSA-N 317.370 3.428 5 40 DGBB O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cccc2cccnc12 36735389 LJPORPFVRVYFLH-UHFFFAOYSA-N 321.292 3.099 5 40 DGBB Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1ccc(Cl)cc1 32779309 QVVGWNHYUACIDM-LBPRGKRZSA-N 306.753 3.323 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 57394868 LDCMOPHBMFGKCK-UHFFFAOYSA-N 300.362 3.093 5 40 DGBB CC(=O)Nc1cccc(Nc2nc(Cl)ccc2[N+](=O)[O-])c1 97673646 OZTKUZPXDPYSKC-UHFFFAOYSA-N 306.709 3.345 5 40 DGBB O=[N+]([O-])c1ccc(N2CC[C@H](O)c3ccccc3C2)c(F)c1 95467613 ULKJAIVCWSFKPC-INIZCTEOSA-N 302.305 3.178 5 40 DGBB COc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 12879996 IVFYVBZVZFPXQH-UHFFFAOYSA-N 322.267 3.063 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1 8775317 IVKAANJWPMGIRM-UHFFFAOYSA-N 324.793 3.031 5 40 DGBB CC(C)(C)[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] 78821730 CACGSWUJHZHHPS-NSHDSACASA-N 317.183 3.176 5 40 DGBB CCOC(=O)c1cc(Cl)c(N(CC)CC)c([N+](=O)[O-])c1 70462218 YZFCOLPWJRQXOQ-UHFFFAOYSA-N 300.742 3.271 5 40 DGBB Cc1nc2cc([N+](=O)[O-])ccc2nc1C(=O)OCc1ccccc1 604941581 KWFZCPWGXHFFTD-UHFFFAOYSA-N 323.308 3.203 5 40 DGBB CCN(c1ccc(C=O)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5390263 DOVOSTYEQQIDLW-UHFFFAOYSA-N 315.285 3.474 5 40 DGBB O=C(c1csc([N+](=O)[O-])c1)N1CCCc2cccc(F)c21 71853645 DHAPPNZYXPMWBK-UHFFFAOYSA-N 306.318 3.388 5 40 DGBB COc1cc(OC)c(OC)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 408544105 SALKAUASPVQIBA-WAYWQWQTSA-N 320.301 3.087 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCSc2ccccc21 41155151 VRFPUTKAZALOET-UHFFFAOYSA-N 300.339 3.347 5 40 DGBB O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1ccc[nH]1 44977901 BKDRQLUOJXSISW-CQSZACIVSA-N 301.346 3.139 5 40 DGBB Cc1ccn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 28219743 JSZRQKICJUHQOV-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCSc2ncccc21 96425394 KKIHEWCXUXNYQV-UHFFFAOYSA-N 315.354 3.051 5 40 DGBB CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 6870342 YTDRULHVBFJSHA-UHFFFAOYSA-N 315.373 3.195 5 40 DGBB Cc1ccn2cc(CNc3ccc([N+](=O)[O-])cc3F)nc2c1 58157052 MORPLEKERQELAJ-UHFFFAOYSA-N 300.293 3.302 5 40 DGBB Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] 9460911 LEJUOEVKQFBVRQ-UHFFFAOYSA-N 322.328 3.454 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC(Nc2ccc(F)cc2)CC1 20059438 NGTYLOYIPRELQL-UHFFFAOYSA-N 316.336 3.210 5 40 DGBB COc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 2631101 HZHAXZAHAQQKKP-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB O=c1c([N+](=O)[O-])cccn1Cc1c(Cl)ccc2cccnc12 78979201 PDCWCYSMDZHZNN-UHFFFAOYSA-N 315.716 3.006 5 40 DGBB CNc1ccc(CNCc2cccc3cccnc23)cc1[N+](=O)[O-] 89396020 YRTAROBYBFEEDV-UHFFFAOYSA-N 322.368 3.475 5 40 DGBB O=[N+]([O-])c1cn(Cc2csc(-c3ccccc3F)n2)cn1 69623204 LRZABDSYZMHIHY-UHFFFAOYSA-N 304.306 3.102 5 40 DGBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(C)c2)n1 5047906 NEHWNGHVVBLVOM-SNVBAGLBSA-N 316.365 3.229 5 40 DGBB Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)sc2c1 8986467 ABKCJAMKIKXOIW-UHFFFAOYSA-N 316.342 3.104 5 40 DGBB O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@H]1CCC[C@H]1O 95437098 RFRABLISFHDZQD-QMTHXVAHSA-N 321.764 3.369 5 40 DGBB CCOC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 13215709 QLBPHWVCKXQXKX-UHFFFAOYSA-N 324.361 3.239 5 40 DGBB CCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 6949754 FXXCAFVFZDXZBP-UHFFFAOYSA-N 317.345 3.282 5 40 DGBB COc1ccc(Oc2ncnc3ccsc23)c([N+](=O)[O-])c1 32853426 XNEDSEUUJNXGIZ-UHFFFAOYSA-N 303.299 3.400 5 40 DGBB O=[N+]([O-])c1ccc(OCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 62719665 OXHLWSUDLMFDHF-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB COCc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 29145363 UQKNTAISKZVVAJ-UHFFFAOYSA-N 300.314 3.302 5 40 DGBB C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-n1cnnc1 216751358 PPHSDKJHWHLLAA-YPMHNXCESA-N 301.350 3.166 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 5248397 JCGPUSBVARAVDK-UHFFFAOYSA-N 317.257 3.033 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 20048445 GXVZTMMIMZRIEE-NSHDSACASA-N 300.314 3.094 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 2662171 JGWWTCSLNVHUMW-UHFFFAOYSA-N 320.345 3.142 5 40 DGBB O=C(NCCc1ccc(F)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 6628059 MJYLWTDTPPHSGT-UHFFFAOYSA-N 322.723 3.360 5 40 DGBB C[C@H](Sc1nnc2ccccn12)c1cccc([N+](=O)[O-])c1 7297230 HXOHAFKCAYRBQS-JTQLQIEISA-N 300.343 3.491 5 40 DGBB CCSC1(CNc2cc(C)c([N+](=O)[O-])cn2)CCOCC1 74765660 FVMXTONUCHPRSP-UHFFFAOYSA-N 311.407 3.012 5 40 DGBB COc1cc2c(cc1OC)[C@H]1[C@@H]3CC=CC[C@@H]3C[N+]1(C)CC2 1319396 ACFBTUAMHMCOQE-HCTXFUGTSA-N 300.422 3.344 5 40 DGBB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc([N+](=O)[O-])cc2)c1C 3587620 IUHWTVUXIMZHFW-UHFFFAOYSA-N 316.313 3.004 5 40 DGBB O=C(O[C@@H]1C=CCCC=CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6091089 XILVNCHRNLBBKU-AWEZNQCLSA-N 318.285 3.325 5 40 DGBB CSC[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 72292583 RDUHULZTOJOTNP-NSHDSACASA-N 309.391 3.120 5 40 DGBB COc1ccc(NC(=O)c2cccc3cc[nH]c23)cc1[N+](=O)[O-] 97083371 JWLDBCVBNWXTPQ-UHFFFAOYSA-N 311.297 3.337 5 40 DGBB COC(=O)c1cccc(-n2cncc2-c2cccc([N+](=O)[O-])c2)c1 585295219 QPKRPMKQAGJLKC-UHFFFAOYSA-N 323.308 3.234 5 40 DGBB Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 22050677 VGYAZIWXVIXGOD-BFHYXJOUSA-N 320.389 3.223 5 40 DGBB Cc1ccc([N+](=O)[O-])c(Sc2nnc(CN3CCCC3)o2)c1 95410401 YWYHXQXTWVCYGW-UHFFFAOYSA-N 320.374 3.033 5 40 DGBB COc1ccc(-c2cc(N)n(Cc3ccccc3)n2)cc1[N+](=O)[O-] 199750668 HYSNDWFRGZQRRV-UHFFFAOYSA-N 324.340 3.097 5 40 DGBB Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 105334 KTJTTWMKNYRZJJ-UHFFFAOYSA-N 322.324 3.248 5 40 DGBB CC(=O)c1ccc(N[C@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 71904207 MVWVJTPJQCTYEV-SECBINFHSA-N 302.334 3.012 5 40 DGBB CC1(c2ccc([N+](=O)[O-])cc2)OCC2(CO1)C[C@H]1C=C[C@H]2C1 100350542 XMTROAFAWPRERU-RDUJMCCZSA-N 301.342 3.397 5 40 DGBB CCOC(=O)c1c(N)ncc2c(Cl)nc3ccccc3c12 12413913 PZRCVJDVMIYLAO-UHFFFAOYSA-N 301.733 3.195 5 40 DGBB O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 17168314 OMLNATLCDDZJSX-UHFFFAOYSA-N 313.338 3.135 5 40 DGBB Cc1cc(C(=O)NCCSC2CCCC2)ccc1[N+](=O)[O-] 40082546 XFQYSXYHMDMEQV-UHFFFAOYSA-N 308.403 3.309 5 40 DGBB CN(C)c1cc(OCc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 5333884 SJJDOARZWNQBTF-UHFFFAOYSA-N 317.301 3.148 5 40 DGBB C[C@@H]1CCCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)C1 13674958 DLKUDQROTTWMJC-GFCCVEGCSA-N 308.403 3.087 5 40 DGBB CC(C)c1nn(CN(C)Cc2cccc([N+](=O)[O-])c2)c(=S)[nH]1 25491533 PGCNPEOHFNWVEL-UHFFFAOYSA-N 321.406 3.062 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1csc(Cc2ccccc2)n1 69697058 BFLAEFYRXHRTRD-UHFFFAOYSA-N 314.370 3.195 5 40 DGBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cc2ccccc2o1 9726818 GAQDYLLNLPMUEM-SNVBAGLBSA-N 313.313 3.171 5 40 DGBB Cc1cc(NC(=O)N(C)CCc2nccs2)ccc1[N+](=O)[O-] 97163063 OYSXOMCWRPRQCJ-UHFFFAOYSA-N 320.374 3.066 5 40 DGBB COC(=O)c1cccc2c(Br)ccc([N+](=O)[O-])c12 62719872 KHTQCCDDVMNEOY-UHFFFAOYSA-N 310.103 3.297 5 40 DGBB Cc1oncc1COc1ccc(Br)cc1[N+](=O)[O-] 126283026 CDIIVZMPEBDWHX-UHFFFAOYSA-N 313.107 3.233 5 40 DGBB COc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] 96501358 SRXLFRKVXFVSOI-YPMHNXCESA-N 319.361 3.400 5 40 DGBB Cc1ccc(C(=O)c2nccn2Cc2ccccc2[N+](=O)[O-])cc1 12447647 RLBXZTUAMRVDHS-UHFFFAOYSA-N 321.336 3.379 5 40 DGBB COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1 556106 GWUVRBRWNNWQJC-UHFFFAOYSA-N 319.298 3.058 5 40 DGBB CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 54614251 XZLOJIWNVNGTCA-SNVBAGLBSA-N 312.753 3.028 5 40 DGBB Nc1ncnc(SCc2cccc3ccccc23)c1[N+](=O)[O-] 28405825 KFBQHWVYDZKZLY-UHFFFAOYSA-N 312.354 3.413 5 40 DGBB O=Cc1cn(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 216953219 RJWFAQRHHPCTQM-UHFFFAOYSA-N 308.293 3.245 5 40 DGBB Cc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 176782 DHKDKWWHRCKZCI-DHDCSXOGSA-N 308.293 3.248 5 40 DGBB C[C@@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2187265 TYXJCXZBHHQYHT-RNCFNFMXSA-N 308.290 3.239 5 40 DGBB O=c1nc2n(c3ccccc13)CC/C2=C\c1cccc([N+](=O)[O-])c1 5451431 UICJOHDAUJWPDS-JLHYYAGUSA-N 319.320 3.249 5 40 DGBB Cc1cccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)c1 4859586 SFRXWZZINFIIIF-UHFFFAOYSA-N 309.325 3.499 5 40 DGBB Cc1nn(C)cc1[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 95396560 ZHLWSNRJBCFZDA-MRVPVSSYSA-N 317.374 3.420 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1 440268 VYKAEFNWQHDKLP-NSHDSACASA-N 316.313 3.009 5 40 DGBB O=[N+]([O-])c1cccc(-c2noc(CSc3ccccn3)n2)c1 31840788 BQNUOXJKPSFEIA-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB Cc1cc(=O)oc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc12 3558446 LITRRDGKMHGLHZ-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB CN(C)c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1508522 WHUXLXFQBIFQDD-UHFFFAOYSA-N 310.313 3.378 5 40 DGBB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C 72302474 RLQOQSJLVWSRMF-GJZGRUSLSA-N 314.389 3.409 5 40 DGBB Cc1cccc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1 516398 ZXWGVSPFSMKRKS-UHFFFAOYSA-N 300.314 3.229 5 40 DGBB CC1(C)[C@]2(C(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@]1(C)C(=O)C2 4820982 ISNAEXKEIZRZSW-DLBZAZTESA-N 316.357 3.319 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1 2739119 YAQJVUJAZXRLJI-JLHYYAGUSA-N 310.353 3.357 5 40 DGBB COc1ccc(CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1 24832433 HBAWZMFFNCECTL-UHFFFAOYSA-N 316.332 3.421 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnco2)cc1 65623211 WJTUSETYQBPGMM-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB O=C(Nc1cccnc1)c1ccc2nc3ccccc3nc2c1 9668875 NTBZLVNDYYBHNV-UHFFFAOYSA-N 300.321 3.430 5 40 DGBB O=[N+]([O-])c1cc(F)ccc1NCCc1nc2ccc(F)cc2[nH]1 72313850 JWIXFOGXRIRQBA-UHFFFAOYSA-N 318.283 3.404 5 40 DGBB O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc32)nc2sccn12 58378796 XTLRGUPXFIYCIY-LLVKDONJSA-N 300.343 3.403 5 40 DGBB Cc1cc2cc(CNC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 4138059 ZEQTXDXLDTVDOW-UHFFFAOYSA-N 309.325 3.315 5 40 DGBB CC(=O)Nc1cc(N(C)C2CCCCC2)c(F)cc1[N+](=O)[O-] 22990045 ILHNFRGXPLDJSL-UHFFFAOYSA-N 309.341 3.461 5 40 DGBB Cc1cc(O[C@H](C(=O)N(C)C)c2ccccc2)ccc1[N+](=O)[O-] 7419267 TYHOZORJMMZNOD-INIZCTEOSA-N 314.341 3.112 5 40 DGBB O=C(Nc1ccccc1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 408531602 MLVNVPZXOZSHPO-UHFFFAOYSA-N 320.308 3.304 5 40 DGBB C[C@@H](Cc1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 89904273 BBALYYIMXSDQLN-JTQLQIEISA-N 320.370 3.065 5 40 DGBB CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCCC1 83862642 OREDHKDOYVRHOL-UHFFFAOYSA-N 319.405 3.238 5 40 DGBB CC[N+](C)(CC)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 3864464 ZTWIURWVTIHMCY-NRFBVMONSA-N 324.529 3.457 5 40 DGBB COc1ccccc1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4073155 CFJFXNJXCPLJIB-DAPIJDQBSA-N 318.437 3.261 5 40 DGBB O=C(O)c1cc(OCc2cccc(Cl)c2)cc([N+](=O)[O-])c1O 216932479 GNYPVDBGJDDQEP-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB CCCCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-] 1827775 IBZDVSPZSFPNTR-UHFFFAOYSA-N 323.418 3.356 5 40 DGBB O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 6995750 MHAJFVVEKCWVDR-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB biogenic O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5217564 XNOHEJHNJFDRPM-UHFFFAOYSA-N 302.246 3.147 5 40 DGBB O=C(NCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 16009530 ZNPSQFRYRJZKFQ-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB C[N+]1([C@@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc2C1 1758669 WEBVZKNMKCOTQL-GOSISDBHSA-N 307.417 3.232 5 40 DGBB in-vitro Cc1nn(-c2ccccc2)c(O)c1[C@@H](C[N+](=O)[O-])c1ccccc1 100848880 BSCCCXPUMCWTAK-INIZCTEOSA-N 323.352 3.295 5 40 DGBB COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 304734 CQGMZVPDMIZRPZ-UHFFFAOYSA-N 320.732 3.438 5 40 DGBB C[C@H](NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 89904920 KPQWSACZRQXAJR-ZDUSSCGKSA-N 310.357 3.136 5 40 DGBB CC(C)N(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] 97080984 HEVSWYTWWZAROL-UHFFFAOYSA-N 314.345 3.432 5 40 DGBB O=C(Nc1ccc2c(c1)CCCN2)c1csc([N+](=O)[O-])c1 71214700 JDXRMAYVUGKFAX-UHFFFAOYSA-N 303.343 3.267 5 40 DGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F 7269579 QBYGNRAMYMZLRT-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB O=C(Oc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl 3279714 BDOAORMBHOFQNS-UHFFFAOYSA-N 321.672 3.196 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 4134558 QLMOPKDAUOVGRZ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 5107768 AHPCZVLRFVKXGG-SNVBAGLBSA-N 304.277 3.140 5 40 DGBB Cc1sc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 67107279 QFNOBAVTHXAAJF-RYUDHWBXSA-N 320.345 3.390 5 40 DGBB Cc1cc(C)cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 30754202 ABJZZUYMWYDODK-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2Cl)c([N+](=O)[O-])c1 409110091 RCFNOTFXMIZVNP-UHFFFAOYSA-N 324.676 3.441 5 40 DGBB CN(C)c1c(Br)cc([N+](=O)[O-])cc1Br 196205998 FALPCTLIMJBORS-UHFFFAOYSA-N 323.972 3.186 5 40 DGBB Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(N)=O)c1C 5546054 YTXWKSJNGINHII-UHFFFAOYSA-N 300.745 3.050 5 40 DGBB Nc1ccc(C(=O)OCc2cccc3cccnc23)cc1[N+](=O)[O-] 11298206 PVEUPPIVUKEFBU-UHFFFAOYSA-N 323.308 3.082 5 40 DGBB CN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)oc2ccccc12 4183750 VNTUMLFJEIBEBK-UHFFFAOYSA-N 310.309 3.338 5 40 DGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc([N+](=O)[O-])c1 21236689 AQBLWTILEODZKC-MRVPVSSYSA-N 322.298 3.483 5 40 DGBB O=[N+]([O-])c1c(N2CCC[C@@H]2Cc2ccccc2)nc2ccccn12 26141720 JKYXEOAZECCCMR-OAHLLOKOSA-N 322.368 3.454 5 40 DGBB COC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 70462590 GNUFTOOUJOVRSM-VIFPVBQESA-N 312.753 3.414 5 40 DGBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc(F)c2)n1 71977419 KWLKSEYCPTYPAG-UHFFFAOYSA-N 310.288 3.440 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 216768120 XMPLATVGWSJABF-RYUDHWBXSA-N 306.362 3.254 5 40 DGBB Cc1ccc(C[C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 96413903 WKAQIGGHHZJSNR-NSHDSACASA-N 318.398 3.255 5 40 DGBB C[C@H]1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@@H](C)C1 253566602 JDGBERZXNHFTLX-QWRGUYRKSA-N 302.330 3.326 5 40 DGBB CCc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5257039 JZEPXAKHRALQPR-UHFFFAOYSA-N 320.370 3.266 5 40 DGBB O=[N+]([O-])c1cc2c(cc1NCCCc1ccccc1)OCCO2 167107451 DEAUXBSIRAYNIZ-UHFFFAOYSA-N 314.341 3.411 5 40 DGBB C[C@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 2648359 XVXNUIUGBKLTEF-LBPRGKRZSA-N 313.357 3.403 5 40 DGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(F)c1 35310604 LUHVLTKMDCCCOP-MRVPVSSYSA-N 322.267 3.070 5 40 DGBB O=C(C=C1CCCCC1)OCC(=O)c1ccc([N+](=O)[O-])cc1 64128879 ABXQEKGJJQAICU-UHFFFAOYSA-N 303.314 3.211 5 40 DGBB O=C(CSc1ccccn1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5622485 IOGOCDAJIOSGGN-UHFFFAOYSA-N 323.761 3.374 5 40 DGBB O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1 6848250 OFJJWKDDKBCRAR-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccco2)o1 409274690 FTMJTFDDEMXDJN-UHFFFAOYSA-N 317.282 3.202 5 40 DGBB COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)C(C)C)cc1F 71853728 WKKWADNFUKDGDM-UHFFFAOYSA-N 322.292 3.391 5 40 DGBB CCOc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OC 33693157 FHLUUYKYPMNILC-SNAWJCMRSA-N 302.124 3.104 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 78569544 LEVZXVHFQVPXEH-LBPRGKRZSA-N 309.329 3.349 5 40 DGBB O=C(NCCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 13674548 MPAXTRWIRZLWPD-UHFFFAOYSA-N 302.305 3.097 5 40 DGBB O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2)c2ccncc12 69632463 WNJBKYKJBIJOQI-MRXNPFEDSA-N 309.325 3.289 5 40 DGBB CCOC(=O)/C=C/c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 226257437 YYYQLPYYZPTPDV-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB CC(C)(NC(=O)CCc1ccco1)c1ccc([N+](=O)[O-])cc1 96456507 QDWQLCARMVOMGV-UHFFFAOYSA-N 302.330 3.172 5 40 DGBB CSC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 95398811 MXIUXIBXEAVCSN-AWEZNQCLSA-N 316.382 3.429 5 40 DGBB COC(=O)c1ccc(N=c2cc[nH]c3ccc([N+](=O)[O-])cc23)cc1 1740818988 RCRGGVGGJLUZEV-UHFFFAOYSA-N 323.308 3.095 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O 263551 XUVVLXCUCBJPRM-UHFFFAOYSA-N 322.704 3.215 5 40 DGBB COc1ccc(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 8148137 RHQNRMUUXLOTDG-UHFFFAOYSA-N 314.341 3.461 5 40 DGBB COC(=O)Cc1c(CC(=O)OC)c2ccccc2c2ccccc12 1709193 VIXIRBMGWCLIRQ-UHFFFAOYSA-N 322.360 3.424 5 40 DGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 8211356 ISTXZIWTSBNDMG-UHFFFAOYSA-N 311.341 3.134 5 40 DGBB Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 97145831 KPFKUICZZDKFLO-UHFFFAOYSA-N 314.345 3.237 5 40 DGBB COCCn1cc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 95427572 QIVKOVRKOKBTNE-UHFFFAOYSA-N 318.377 3.173 5 40 DGBB CCOc1ccc(-c2ccc(/C=C/C(=O)OC)o2)c([N+](=O)[O-])c1 70461200 QFJAMADZCYRZPF-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB Cc1c(-c2ccccc2)oc(-c2cc([N+](=O)[O-])ccc2O)[n+]1[O-] 5537572 JIDHEPPRAHFSRM-UHFFFAOYSA-N 312.281 3.169 5 40 DGBB Cc1nn(-c2ccccc2)c(O)c1[C@H](C[N+](=O)[O-])c1ccccc1 100848882 BSCCCXPUMCWTAK-MRXNPFEDSA-N 323.352 3.295 5 40 DGBB Cc1csc2nc(=O)c3cnc4ccc(Cl)cc4c3n12 20744896 BUJZYEQQHUSFAS-UHFFFAOYSA-N 301.758 3.419 5 40 DGBB C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 8172502 XPRIQTAAJIGAIA-JTQLQIEISA-N 315.329 3.253 5 40 DGBB O=C(CCN1CC[C@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1 104069538 LOTQSBWCBSTXRZ-KGLIPLIRSA-N 302.374 3.290 5 40 DGBB O=C(CN1CCCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 6083727 HJZOAIDKCOXGTI-UHFFFAOYSA-N 311.769 3.063 5 40 DGBB Cc1ccc(CNc2nnc(-c3ccoc3C)o2)cc1[N+](=O)[O-] 95939352 BQDBCCFAVWBAMZ-UHFFFAOYSA-N 314.301 3.467 5 40 DGBB Cc1c(F)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 409183125 QDYJGRGYLWXWGW-UHFFFAOYSA-N 321.333 3.168 5 40 DGBB O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccncc1)C1CC1 93221886 JNOIFZOBSNYOLR-UHFFFAOYSA-N 301.321 3.294 5 40 DGBB Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72139928 RGVUBCNOPRVZKK-UHFFFAOYSA-N 318.245 3.463 5 40 DGBB CC(C)c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn12 6658588 UQBQQWFBRKUFAU-VMPITWQZSA-N 315.358 3.388 5 40 DGBB COc1cc(C(C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2628440 KRBPDTNOSXTVPH-UHFFFAOYSA-N 301.298 3.385 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccc1 9610040 XNHPBMKXDONDGO-STQMWFEESA-N 313.357 3.273 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(C)C)C(C)C 58158618 YEXPLSGIMOOXRY-UHFFFAOYSA-N 307.394 3.208 5 40 DGBB CNc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1[N+](=O)[O-] 92729091 IKHFZOYPGTYNLT-AWEZNQCLSA-N 315.377 3.087 5 40 DGBB CCS(=O)(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 78507356 NLHJBUSZLUKLOV-UHFFFAOYSA-N 320.370 3.001 5 40 DGBB Cc1ccc(OCc2cnn(-c3ccccc3)n2)c([N+](=O)[O-])c1 40116504 CLSUWJZOLYXZTE-UHFFFAOYSA-N 310.313 3.063 5 40 DGBB CSc1cccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c1 8395763 JLAJUQJPDLOZFZ-UHFFFAOYSA-N 317.370 3.367 5 40 DGBB O=C(O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3127013 UIUYEACHGPLUCJ-UHFFFAOYSA-N 320.282 3.352 5 40 DGBB O=c1ccn(CCOc2ccccc2[N+](=O)[O-])c2ccsc12 95401362 WIPOOIZEEQECSY-UHFFFAOYSA-N 316.338 3.050 5 40 DGBB Cc1nn(C)c(N[C@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] 79887254 RZLMNDQUEIOSDL-NSHDSACASA-N 322.365 3.425 5 40 DGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 33191545 LDHPANIVLRHPBL-ZCFIWIBFSA-N 300.723 3.394 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)nc1 22804093 YQOPUQROLGXXRV-AWEZNQCLSA-N 316.361 3.222 5 40 DGBB Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)c1 4409475 JJCKLYQNBIRBAH-UHFFFAOYSA-N 315.245 3.091 5 40 DGBB COc1ccc(NC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] 96008056 IYTQOEAVTDPFHA-UHFFFAOYSA-N 313.313 3.151 5 40 DGBB CO[C@H]1CCC[C@H](OC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 69148443 VLTOELHTWXPKSR-AJKRIUKHSA-N 323.320 3.248 5 40 DGBB CCCCCC(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 8560854 DOROCMYCPQTZRN-UHFFFAOYSA-N 311.294 3.030 5 40 DGBB Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 35122127 FLBBNEASOGWICH-UHFFFAOYSA-N 308.721 3.422 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CC2)cs1 26049719 PACVHEBWLXJSGQ-UHFFFAOYSA-N 303.343 3.110 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 22516014 HPBNXVOVSQEOSV-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB CCNCc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 36281256 GRPRQJAKSZLRMZ-UHFFFAOYSA-N 305.359 3.018 5 40 DGBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1 5092292 URLIAERVIQSPJN-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1nc(NC(=O)c2cccc(F)c2Cl)ccc1[N+](=O)[O-] 84028814 OKMBAHSSRPTPHJ-UHFFFAOYSA-N 309.684 3.343 5 40 DGBB Cc1cc(C(=O)N2CCSC(C)(C)CC2)ccc1[N+](=O)[O-] 279438461 ZMRBPSOXJOWRFG-UHFFFAOYSA-N 308.403 3.261 5 40 DGBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccccc2C1 52929312 SEVKMCZZESQBKJ-UHFFFAOYSA-N 321.336 3.275 5 40 DGBB O=C(NCCCn1ccc2ccccc21)c1ccc([N+](=O)[O-])cc1 12561783 GQHWBEQKPWBVJN-UHFFFAOYSA-N 323.352 3.370 5 40 DGBB CC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 6342706 MRSGFGPKPAXFEQ-MDZDMXLPSA-N 310.309 3.449 5 40 DGBB O=[N+]([O-])c1cnc(NCc2ccccc2)c(Br)c1 18227795 FIEOURCGNSYDPK-UHFFFAOYSA-N 308.135 3.364 5 40 DGBB O=C(CSCc1cccc([N+](=O)[O-])c1)NC1CCCCC1 408723696 AERQXRPSRKIHOT-UHFFFAOYSA-N 308.403 3.277 5 40 DGBB NC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc12 226327698 QYMPEZUUMUXSCQ-UHFFFAOYSA-N 322.320 3.426 5 40 DGBB Cc1ccc(N2C(=O)[C@H]3C=CC=C4C([N+](=O)[O-])=CC=C2[C@@H]43)cc1 1554503037 BMPJGZYVGKVPKV-YOEHRIQHSA-N 306.321 3.128 5 40 DGBB C[C@@H](Cc1ccco1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 71894052 LLRAMKAPNQJDKE-VIFPVBQESA-N 308.721 3.202 5 40 DGBB Cc1ccc(NC(=O)CNc2ccc(F)cc2F)c([N+](=O)[O-])c1 9912467 CYJUYFMQZSGZTQ-UHFFFAOYSA-N 321.283 3.232 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccoc3)n2)c1 69538980 KYOODTMOBHBFFL-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB COc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c(OC)c1 222632688 ARWKRTWFVHIFQH-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB O=C(COC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 332883 LTJPKZDHVJPPAK-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB O=C(CSc1ccccc1)NCc1ccccc1[N+](=O)[O-] 46136261 XELIUXIRKBMHFB-UHFFFAOYSA-N 302.355 3.003 5 40 DGBB CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 10448507 RQEMWEYAQRXUPK-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB O=c1oc2cc([N+](=O)[O-])ccc2n1CNc1cccc(Cl)c1 494745 OCTKQXAITGOZNB-UHFFFAOYSA-N 319.704 3.226 5 40 DGBB Cc1ccc2oc3ncc(C(=O)NC(C)(C)C)cc3c(=O)c2c1 1390942 FGPYQXMBOZLAFL-UHFFFAOYSA-N 310.353 3.178 5 40 DGBB Cc1cc(C(=O)n2cc(CO)c3ccccc32)ccc1[N+](=O)[O-] 216960912 VJRYXKQZJPOZOH-UHFFFAOYSA-N 310.309 3.039 5 40 DGBB O=[N+]([O-])c1ccc(Br)nc1NCc1ccccc1 199827190 CREIXOJZCANAEM-UHFFFAOYSA-N 308.135 3.364 5 40 DGBB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 225791089 KPTYNAFTVCNYSS-UHFFFAOYSA-N 300.318 3.069 5 40 DGBB COc1ccc(NC(=O)N(C)Cc2ccoc2C)cc1[N+](=O)[O-] 96501351 BGSWDTFEICLDRF-UHFFFAOYSA-N 319.317 3.169 5 40 DGBB Cc1cc2cc(CNC(=O)c3ccccc3[N+](=O)[O-])ccc2n1C 4061521 XZASTTGIUYZLEB-UHFFFAOYSA-N 323.352 3.325 5 40 DGBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 12656026 SPPUUSBMEWWDHP-PBWFPOADSA-N 317.341 3.033 5 40 DGBB CC(C)CCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1 4306001 LKOYRMZRFRTGFR-UHFFFAOYSA-N 322.413 3.170 5 40 DGBB O=C(Nc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 5344335 ZPAFCPVABCFQOM-UHFFFAOYSA-N 303.343 3.182 5 40 DGBB CCc1ocnc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 83817719 GHGJVXCOJPIZIO-SNVBAGLBSA-N 304.302 3.372 5 40 DGBB Cc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 55954519 WDECRFLDOJVEHZ-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=[N+]([O-])c1c(NCc2cc3ccccc3[nH]2)nc2ccccn12 58420856 LXMIJMUQHCXVEV-UHFFFAOYSA-N 307.313 3.336 5 40 DGBB O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 3340008 DIRZNXBIRNGCOR-UHFFFAOYSA-N 323.251 3.458 5 40 DGBB CCCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1CC 20033918 XBDUYDPTGYQTSH-UHFFFAOYSA-N 306.391 3.451 5 40 DGBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1C1CC1 21322814 XWSILASQOPIVKJ-MRXNPFEDSA-N 309.325 3.324 5 40 DGBB CCO[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 75492721 NSGGWPUALJFLCL-KGLIPLIRSA-N 319.361 3.064 5 40 DGBB COc1ccc(C)cc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 61195258 CBWVIOYIVYZLEP-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)NC(C)(C)C 1387358 BSZCCDHMLWOJTO-UHFFFAOYSA-N 310.353 3.178 5 40 DGBB O=C(COc1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 3316770 BFFFTOQIRKKMNU-UHFFFAOYSA-N 321.716 3.370 5 40 DGBB O=[N+]([O-])c1cccc(-c2csc(NC[C@H]3CCCO3)n2)c1 6784408 PWQGEUSAGYNNOV-GFCCVEGCSA-N 305.359 3.309 5 40 DGBB Cc1ccc(N2C(=O)[C@@H]3C=CC=C4C([N+](=O)[O-])=CC=C2[C@@H]43)cc1 1554503029 BMPJGZYVGKVPKV-PBHICJAKSA-N 306.321 3.128 5 40 DGBB O=c1c2c([nH]c3c1ccc1c(=O)c4c([nH]c13)CCCC4)CCCC2 5386762 QORJWEADYJWKSD-UHFFFAOYSA-N 320.392 3.127 5 40 DGBB O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1[N+](=O)[O-] 569081 XMUNQHCPEILEJQ-UHFFFAOYSA-N 300.358 3.149 5 40 DGBB Cc1nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2[nH]1 32895676 RBLDALDBZCWPHX-UHFFFAOYSA-N 311.301 3.424 5 40 DGBB Cc1cccc(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] 24808131 CUCGZAMOKPXRDF-UHFFFAOYSA-N 313.357 3.217 5 40 DGBB COC(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2C)c1 10037733 MPNDKIFUXRLAMX-UHFFFAOYSA-N 300.314 3.302 5 40 DGBB O=Cc1c(OC(C(F)(F)F)C(F)(F)F)cccc1[N+](=O)[O-] 95080942 YTBBJEXMJBBQNM-UHFFFAOYSA-N 317.141 3.279 5 40 DGBB Cc1ccc(O[C@H](C(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 7181342 OCDQGSBGSVXHMG-INIZCTEOSA-N 314.341 3.112 5 40 DGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(F)cc1 2891516 DDIQNAKAVZNLPT-ZROIWOOFSA-N 312.256 3.078 5 40 DGBB C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCCCC1 59402327 SPXIABDCXGTKAG-GFCCVEGCSA-N 322.365 3.037 5 40 DGBB COP(=O)(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)OC 4480130 NKTGFAUPQQWWED-UHFFFAOYSA-N 314.156 3.426 5 40 DGBB O=C(Nc1ccnn1CC1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 97031940 PJXOXYSJGXYXEW-UHFFFAOYSA-N 320.736 3.107 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(OC)c1 40087569 QKHCNNBDVORMHW-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB Cc1nc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cs1 69771786 GWSXZLRTLNESCV-UHFFFAOYSA-N 300.343 3.272 5 40 DGBB CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 5851321 BLAXIVFXXRDMRT-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CSc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 11229260 XLDOKVWHLJGCCD-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB Cc1cc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)no1 52531159 AGLVPLKHNNAGMC-MRXNPFEDSA-N 301.346 3.271 5 40 DGBB CCOC(=O)N(C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 53583810 RVYOPIJXVADBKK-UHFFFAOYSA-N 316.317 3.326 5 40 DGBB CC(=O)C(C(C)=O)[C@H](c1ccco1)[C@H](c1ccccc1)[N+](=O)[O-] 108938931 RNQFOKZSCUCRSO-IRXDYDNUSA-N 315.325 3.175 5 40 DGBB CCCCN1C(=O)C(C)=C(C)[C@@H]1Nc1ccccc1[N+](=O)[O-] 199404022 MILWGYGYHQCNOE-OAHLLOKOSA-N 303.362 3.312 5 40 DGBB COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 226291670 PJJTUUSFAGVXEO-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB Cc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 390834073 RGVPCEGPBIZZEY-UHFFFAOYSA-N 317.320 3.102 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1csc(-c2ccccc2)n1 69588621 YXKYTBMYJSIFGY-UHFFFAOYSA-N 300.343 3.272 5 40 DGBB O=[N+]([O-])c1cc(F)c(OC(F)(F)F)cc1Br 98211014 HJQHKCZYKIITSI-UHFFFAOYSA-N 303.993 3.395 5 40 DGBB Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 5541239 NAPOCJTVXVWOJZ-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 40489442 QMWBOXRBVOELFI-ZDUSSCGKSA-N 316.313 3.174 5 40 DGBB O=[N+]([O-])c1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 104809824 HOLWYUHDLWSCRH-MRXNPFEDSA-N 319.324 3.242 5 40 DGBB COc1cc(C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 3850632 RIAAIPITIPYEFZ-UHFFFAOYSA-N 321.716 3.496 5 40 DGBB biogenic Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2F)n1 71977411 DYLQTNJLBUPEFM-UHFFFAOYSA-N 310.288 3.440 5 40 DGBB C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 30266831 CWQGPMFEFBIMBO-MMQHEFTJSA-N 311.341 3.013 5 40 DGBB CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 44640420 VAPLYSRIWKVQKV-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 311870 XEPFSWLLUMQNED-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 2743017 YTCFLZSWDMTXNX-UHFFFAOYSA-N 321.333 3.298 5 40 DGBB C[C@@H](O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 58177906 RRULHDKUPDTWQH-SECBINFHSA-N 304.258 3.349 5 40 DGBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(OC)c1OC 33291495 ZQFYQUUNYMMURP-WAYWQWQTSA-N 320.301 3.087 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2ccccc21 32814549 FZLWLCXNLRQGKK-AWEZNQCLSA-N 313.313 3.240 5 40 DGBB CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 3148361 KLAWTHDWLDTWAG-UHFFFAOYSA-N 315.285 3.170 5 40 DGBB O=[N+]([O-])c1cccnc1SCc1noc(-c2cccs2)n1 48302561 PTOFXQOQFNMVQD-UHFFFAOYSA-N 320.355 3.394 5 40 DGBB CSc1ccc(C(=O)Nc2ncc(C)s2)cc1[N+](=O)[O-] 3553866 PDIIZOPDTQJVDR-UHFFFAOYSA-N 309.372 3.334 5 40 DGBB COc1cc(N[C@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 84070359 VTEQNLUTFUFYMX-LLVKDONJSA-N 315.329 3.043 5 40 DGBB CCN(Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 95430635 NRZFSEYELMEFBI-LBPRGKRZSA-N 317.345 3.037 5 40 DGBB O=C(CCCc1cccs1)NCCc1ccc([N+](=O)[O-])cc1 53215846 GFYHECBNICDSPU-UHFFFAOYSA-N 318.398 3.338 5 40 DGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] 5942735 WROASXWQMSXJAZ-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB Cc1ccccc1-c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)n1 5409810 XLGRFZNBBBLVMZ-UHFFFAOYSA-N 321.336 3.175 5 40 DGBB Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 223373070 SERVUAXMFFHUOP-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=C(Nc1ccccc1F)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990887 KAMNKHLUIQWZEY-UHFFFAOYSA-N 300.289 3.404 5 40 DGBB CCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 373665 PQQOBQDZIAAIFD-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB CCS[C@@H]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 76067702 AVCLUWLDMIAXOT-UKRRQHHQSA-N 322.430 3.270 5 40 DGBB C[C@@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccccc1[N+](=O)[O-] 26350536 VWMNFVUZYKKIOQ-NSHDSACASA-N 318.377 3.468 5 40 DGBB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1 8751882 KWNULIUHBOYSTQ-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB Cc1c([C@H](C)NCCOc2cccnc2)cccc1[N+](=O)[O-] 96477691 ALKJZCUVKMEVOO-ZDUSSCGKSA-N 301.346 3.028 5 40 DGBB Cc1ccc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 40040338 CCVGDWSHGVBGCD-UHFFFAOYSA-N 317.320 3.483 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1csc(-c2ccccc2F)n1 69566252 UQMZMIXYDYSIJV-UHFFFAOYSA-N 318.333 3.411 5 40 DGBB COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 216774169 ARVXDJPTJMNUEH-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(Cl)cc2)nc1 13838301 KCTAIZGIMONTER-UHFFFAOYSA-N 322.777 3.130 5 40 DGBB CC(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 29527087 LXJOSIUBBWVEDX-CQSZACIVSA-N 315.329 3.435 5 40 DGBB Cc1c2cc(Cl)ccc2n2c(=O)c3ccccc3[nH]c(=O)c12 1630691 VIMSCURFJXUCGH-UHFFFAOYSA-N 310.740 3.256 5 40 DGBB Cc1ccc(-c2nc(Cn3nc(C)c([N+](=O)[O-])c3C)co2)cc1 24428080 DDEMDNQSGWDNAO-UHFFFAOYSA-N 312.329 3.420 5 40 DGBB COc1cccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1 4499076 AREUCRAMOVEHKV-UHFFFAOYSA-N 312.281 3.453 5 40 DGBB COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 5611272 JUEALQDKXBXPNR-UHFFFAOYSA-N 312.325 3.344 5 40 DGBB CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2C(=O)O)CC(C)(C)N1 408712467 MHTSKAGALAPXGQ-UHFFFAOYSA-N 321.377 3.014 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2ncccc2c1 73742519 FCAJDJCQYKURJU-UHFFFAOYSA-N 307.309 3.324 5 40 DGBB Cc1cc(C(=O)n2cc(C(=O)O)c3ccccc32)ccc1[N+](=O)[O-] 216960817 DAFUYXBUODSHOF-UHFFFAOYSA-N 324.292 3.245 5 40 DGBB CC(C)(CNC1CCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 1710469 VLDJYRWRQXHJLA-UHFFFAOYSA-N 306.362 3.062 5 40 DGBB Cc1noc(C)c1CN(C)c1ccc([N+](=O)[O-])c2cccnc12 42098595 HFVQUPBLTOQWBO-UHFFFAOYSA-N 312.329 3.384 5 40 DGBB COc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 3545409 LNFDAYDFCNIKBP-UHFFFAOYSA-N 315.325 3.311 5 40 DGBB CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(F)cc1 58441093 FDTDMLLMMICLAA-UHFFFAOYSA-N 304.321 3.422 5 40 DGBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccno1 10253945 AEYBAGACJGHAEQ-UHFFFAOYSA-N 322.327 3.020 5 40 DGBB COc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1F 5020762 LLFDDNOSWVIWPL-UHFFFAOYSA-N 311.290 3.161 5 40 DGBB Cc1cc(NC[C@@H]2CC(C(F)(F)F)=NO2)c(F)cc1[N+](=O)[O-] 1548521941 KFPXEIDOAVYGAJ-ZETCQYMHSA-N 321.230 3.161 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCCC2 31303479 DEBFAZMDKXRKQE-UHFFFAOYSA-N 317.370 3.111 5 40 DGBB O=[N+]([O-])c1cc(CSc2nnc(NC3CC3)s2)cs1 47172073 IXUCADJBVKBTJM-UHFFFAOYSA-N 314.417 3.374 5 40 DGBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 5109289 ZFTDBRNFZYBLQL-LBPRGKRZSA-N 300.314 3.025 5 40 DGBB CCOc1ccc(C(C)=O)cc1COc1cccnc1[N+](=O)[O-] 7044911 TYPSIMRPMRVMTK-UHFFFAOYSA-N 316.313 3.170 5 40 DGBB COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@@H]3C[N+]1(C)CC2 4795625 ACFBTUAMHMCOQE-GKDLUCGISA-N 300.422 3.344 5 40 DGBB C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1CCc1cc([N+](=O)[O-])c(O)cc12 4127822 HYWTWHWYNWLRLS-DJIMGWMZSA-N 319.357 3.395 5 40 DGBB COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 3430993 IXOAGVZEBPPPOT-LLVKDONJSA-N 300.314 3.094 5 40 DGBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NC[C@@H](C)O 19530856 BJMUAUKEMDQALQ-GFCCVEGCSA-N 324.380 3.357 5 40 DGBB C[C@H](NC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 71879767 CHVOWMWXUBOCQI-LBPRGKRZSA-N 311.341 3.381 5 40 DGBB Cc1ccc([C@@H](C)N[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 90451560 UXGPXIJWGLYJGQ-VXGBXAGGSA-N 308.378 3.284 5 40 DGBB Cc1ccc2oc(=O)c(/C=C(\O)c3cccc([N+](=O)[O-])c3)nc2c1 102892369 DHMLFMDPVJZVDX-DHDCSXOGSA-N 324.292 3.461 5 40 DGBB O=c1c2ccccc2nc2n1CC/C2=C/c1cccc([N+](=O)[O-])c1 33750569 XIQBVHOTWVNRBA-RAXLEYEMSA-N 319.320 3.249 5 40 DGBB COc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5661656 IFNZAQDHGMQWGJ-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc([N+](=O)[O-])cc1 102673322 OAWXVULOCYDABD-QBFSEMIESA-N 319.320 3.249 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(F)ccc2F)c1 24542510 JXUYDEWXQJYGRU-UHFFFAOYSA-N 322.267 3.199 5 40 DGBB CC(C)c1nc2sc3c(ncn4ncnc34)c2c2c1CCC2 5321852 YTYJNJGTWSTTSS-UHFFFAOYSA-N 309.398 3.499 5 40 DGBB O=C(Oc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl 6413914 QUJTVNRUXAXFRO-UHFFFAOYSA-N 321.672 3.196 5 40 DGBB CCCO[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 78671183 CQIKALJMOOEVQY-CYBMUJFWSA-N 306.362 3.016 5 40 DGBB CCN[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 1710491 BXKCZNYOQQSFQB-MRXNPFEDSA-N 320.389 3.310 5 40 DGBB COc1ccccc1C(=O)Nc1c(C)cc([N+](=O)[O-])cc1C 72228913 BXQPAWGFFLSKGV-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB Cc1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 148563711 ROYRVGQQZNZEDS-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB CN(Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1[N+](=O)[O-] 96453913 IANHLYJQJVYRFM-JOCHJYFZSA-N 322.361 3.108 5 40 DGBB COc1c(C)cccc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 9141703 MAQRUJCYQOWEAB-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=C(NCCc1cccc([N+](=O)[O-])c1)c1sccc1Cl 390833594 JWNZPFSNMXKYFJ-UHFFFAOYSA-N 310.762 3.282 5 40 DGBB Cc1cc(O[C@@H](C(=O)N(C)C)c2ccccc2)ccc1[N+](=O)[O-] 7419273 TYHOZORJMMZNOD-MRXNPFEDSA-N 314.341 3.112 5 40 DGBB COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 95996397 ONSNMVOGXCJCLD-LLVKDONJSA-N 309.366 3.228 5 40 DGBB O=[N+]([O-])c1cc(Br)c(F)c(OC(F)(F)F)c1O 604221640 MUQPCSQVBLIVGG-UHFFFAOYSA-N 319.992 3.101 5 40 DGBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)NCCC1=CCCCC1 3345189 ZJBPMAKOWFABHG-UHFFFAOYSA-N 321.352 3.153 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1[C@@H](C)CCC[C@H]1C 29750840 ZPMPYOUVFXSMQU-BETUJISGSA-N 320.389 3.380 5 40 DGBB C[C@]12C[C@@H]1CCC[C@@H]2OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104187054 ZPHGSYFIQUAFFP-XEGUGMAKSA-N 320.301 3.239 5 40 DGBB O=C(c1ccc(Cl)cc1)N1CCc2cc([N+](=O)[O-])ccc21 9721284 YMGXWGQSDCHFQE-UHFFFAOYSA-N 302.717 3.451 5 40 DGBB Cn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]c1=S 228975609 XZHDBJGOTVJEFO-UHFFFAOYSA-N 302.315 3.313 5 40 DGBB COc1c(C)cccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 14258299 FWLVCWZLOUCIFL-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB O=C(NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 18150959 JNSVOPNOHWKQDG-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB O=C(NCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 159302256 ZUFJNMXXNXHIHQ-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB COCc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 25821931 YKYCWSJDHVJLRO-CMDGGOBGSA-N 312.325 3.393 5 40 DGBB Cc1c(NC(=O)CN(C)Cc2ccsc2)cccc1[N+](=O)[O-] 12915316 MKBRECQJAGBPKF-UHFFFAOYSA-N 319.386 3.035 5 40 DGBB Cn1c(=O)c([N+](=O)[O-])c(Nc2ccc(F)cc2)c2ccccc21 5575937 XNKFHOVZRJPHCF-UHFFFAOYSA-N 313.288 3.329 5 40 DGBB O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)C1 95389993 OOTRNWMMNIXGFL-GFCCVEGCSA-N 302.355 3.286 5 40 DGBB CCc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 30854641 AGNLQNWJQZBNCP-UHFFFAOYSA-N 320.370 3.099 5 40 DGBB O=[N+]([O-])c1ccc(CNc2nnc(-c3cccs3)o2)cc1 97114541 HTPUMMQPCQIHLO-UHFFFAOYSA-N 302.315 3.318 5 40 DGBB C[N+](C)(C)CCOc1nnc(Cc2ccccc2)c2ccccc12 5535213 QAJSITUUMMQGCF-UHFFFAOYSA-N 322.432 3.306 5 40 DGBB Nc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2=O 1724345 UEXJMEVCJGZXLC-UHFFFAOYSA-N 319.114 3.151 5 40 DGBB Cc1cnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)s1 2646083 LWCRUMOKFFCYDB-UHFFFAOYSA-N 309.372 3.091 5 40 DGBB COc1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 3233035 XRURNPZOEICICX-IZZDOVSWSA-N 313.309 3.360 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NCc1nncn1-c1ccccc1 91429818 CLHNGYFIYBNNJG-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB CC[C@@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 72304161 FTXBPMZRSFJLFB-RYUDHWBXSA-N 303.362 3.352 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NCc1ccccc1 7522087 AFHGNXPYHCKFFE-UHFFFAOYSA-N 317.370 3.090 5 40 DGBB C[C@H](NC(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccco1 32747589 KWAKJOSATMUFAT-LBPRGKRZSA-N 317.345 3.257 5 40 DGBB CCOC(=O)c1cc(C(=O)OC2CCCCC2)cc([N+](=O)[O-])c1 40159976 UKGOAMYOCZJBRY-UHFFFAOYSA-N 321.329 3.261 5 40 DGBB CCn1ncc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc21 194676777 BRVAFIQXDDSNQW-UHFFFAOYSA-N 324.340 3.146 5 40 DGBB COc1cc(F)c(NCc2csc([N+](=O)[O-])c2)cc1OC 96427525 XXLVGBBBZARHTO-UHFFFAOYSA-N 312.322 3.425 5 40 DGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 162720 GZVATEIAGYVWFE-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB CCc1ccc(C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])cc1 20982124 HYCPZPFELYISIR-NSHDSACASA-N 300.314 3.202 5 40 DGBB Cc1cc(C)c(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C 2622496 IFFSTRXHJKEFPT-UHFFFAOYSA-N 301.346 3.216 5 40 DGBB COC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1 12082677 FIAUQBNNHFFYSB-UHFFFAOYSA-N 324.296 3.068 5 40 DGBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1c([N+](=O)[O-])ncn1C 58420054 FUKPGMIERLAUKI-NSHDSACASA-N 304.350 3.355 5 40 DGBB CSc1ccc(C(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] 12802028 SESHDHKWQAMKTL-UHFFFAOYSA-N 306.343 3.182 5 40 DGBB CC(C)NC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408977895 YUIRJXHPYJHJER-UHFFFAOYSA-N 304.353 3.403 5 40 DGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+]1(C)CCCCC1 245232646 ZFFAWJGVDWLYCL-MKXGPGLRSA-N 312.518 3.455 5 40 DGBB biogenic O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 193158 NLNDAICIIILZTM-UHFFFAOYSA-N 307.265 3.245 5 40 DGBB Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CC(=O)O 4934479 HCXCCVSEEBIYLB-UHFFFAOYSA-N 305.337 3.439 5 40 DGBB Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)s1 8183648 AKCFHCOXQOPSRB-UHFFFAOYSA-N 319.386 3.115 5 40 DGBB Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3Cl)nc12 92826040 KBVNGIHCFNMNBQ-UHFFFAOYSA-N 317.736 3.211 5 40 DGBB CC(=O)c1ccc(N[C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 76019689 SYYZYWBZLKGKQI-CYBMUJFWSA-N 320.370 3.395 5 40 DGBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1 216960624 JGCOTAVUZFZDIB-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB CC[N+](C)(CC)C[C@H](O)COc1ccc(OC)cc1C(C)(C)C 226071530 CJHYHYADQNZZKQ-HNNXBMFYSA-N 324.485 3.219 5 40 DGBB O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1c1ncc[nH]1 96478037 YCZRQMPLJPNMTK-CQSZACIVSA-N 304.325 3.184 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 5002802 MKEGDGAMCLXRPW-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2[nH]cnc2c1 32830932 XCEWGXSXONCFPC-UHFFFAOYSA-N 324.340 3.133 5 40 DGBB COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1687353 UUGBFMDNZSIJNZ-UHFFFAOYSA-N 318.241 3.116 5 40 DGBB Cc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 4588639 CUPJSKGDBPCLEG-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 224672849 ZQPQKPFSRZIGPM-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1[N+](=O)[O-] 10542335 ZXNIKZNVAHRHOT-UHFFFAOYSA-N 316.332 3.405 5 40 DGBB CCCCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12523292 NZHAIIICQSQRMY-UHFFFAOYSA-N 322.408 3.413 5 40 DGBB Cc1nn(C[C@H](O)c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] 44260935 AWWPCOFABGJJNR-HNNXBMFYSA-N 303.362 3.265 5 40 DGBB Cc1nc(CNc2ccc(F)cc2[N+](=O)[O-])c2n1CCCC2 89708965 ZCAHGHJJSCRZHH-UHFFFAOYSA-N 304.325 3.187 5 40 DGBB CSC1(CNc2ccc(F)cc2[N+](=O)[O-])CCOCC1 96429739 LKZVELUGFQJLHL-UHFFFAOYSA-N 300.355 3.058 5 40 DGBB Cc1cccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 69901083 KUGMXCDPLTWRFO-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC 10039310 ANUTYHOGWAFBJH-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB Cc1cccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1C 8778971 QLWXBUNNRMKZDE-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB C[C@@H](COCC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1Cl 71914505 PKSRJTCJSPGECP-LURJTMIESA-N 313.663 3.023 5 40 DGBB C[C@@H](CNC1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 1709759 KWHKSWLYJYSKHI-LBPRGKRZSA-N 306.362 3.062 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(O)CC1 23041806 ASYCNDFGPGKDQB-UHFFFAOYSA-N 324.686 3.228 5 40 DGBB O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 179880 UPPJKWRNZWHTLR-HNNXBMFYSA-N 300.339 3.373 5 40 DGBB O=C(N[C@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] 55655343 ZTVBWQRJMKQZOC-AWEZNQCLSA-N 300.289 3.151 5 40 DGBB Nc1ccc2c(=O)c3ccc(N)cc3n(-c3ccccc3)c2c1 3843472 MELVRSVCYXWLIO-UHFFFAOYSA-N 301.349 3.308 5 40 DGBB biogenic Cc1c(CO)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1 216960602 LMXWIHJOMXZRBF-UHFFFAOYSA-N 310.309 3.039 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)s1 44810587 PWXDGYPSTBPHTH-UHFFFAOYSA-N 324.789 3.211 5 40 DGBB CN1c2ccc(Cl)cc2C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 94324 HXRSSUHPZPMTAE-LBPRGKRZSA-N 323.761 3.188 5 40 DGBB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 2616651 WKMQHYZKULFPJS-RISCZKNCSA-N 308.403 3.382 5 40 DGBB O=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1516978 DVSXDYDTZLAVGR-UHFFFAOYSA-N 304.733 3.221 5 40 DGBB COc1ccc(C(C)=O)c(OCc2cccc([N+](=O)[O-])c2)c1 3256649 IAONHPMQETVVAR-UHFFFAOYSA-N 301.298 3.385 5 40 DGBB CC(=O)Nc1cc(F)c(F)cc1NCc1ccccc1[N+](=O)[O-] 75092084 NYDBVHHYMQORBH-UHFFFAOYSA-N 321.283 3.444 5 40 DGBB CC[C@@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C 75128273 NCDSWDMQDJBNAK-LLVKDONJSA-N 321.308 3.471 5 40 DGBB C/C=C1/C[N@+]2(C)[C@@H]3C[C@@H]1[C@@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 1077996675 KRTATNOTKFNEFT-VNEJKOSPSA-N 309.433 3.169 5 40 DGBB biogenic O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 315773 BFUCAADLOAXGCB-NTEUORMPSA-N 312.256 3.078 5 40 DGBB COc1cc([C@@H](O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC 502253 DGJOAVNJIBQHJF-HNNXBMFYSA-N 323.732 3.347 5 40 DGBB Cc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1[N+](=O)[O-] 9141970 AONHVKYBHCBIMY-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 55693197 IPFOXJUEEXEYMQ-CYBMUJFWSA-N 314.341 3.101 5 40 DGBB CC1(C)CC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)N1 24239993 CZLFRMCJSAJHSC-UHFFFAOYSA-N 320.393 3.026 5 40 DGBB CC[N+](C)(CC)C[C@H](O)CCCCCCCCC(=O)OC 4728820 RHORJOLXSBZDIR-MRXNPFEDSA-N 302.479 3.128 5 40 DGBB CNc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1[N+](=O)[O-] 4903592 JKBGPXJOKNRWTJ-UHFFFAOYSA-N 315.329 3.206 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1cscn1 97145817 CEFOWKSTXFNFMN-UHFFFAOYSA-N 320.374 3.032 5 40 DGBB CC(C)n1c(N)nnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 96455285 KZWKALWJERJIMN-VIFPVBQESA-N 307.379 3.203 5 40 DGBB O=[N+]([O-])c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c(Cl)c1 43272483 UKERSTZNRURMHV-LBPRGKRZSA-N 322.752 3.367 5 40 DGBB Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)s1 3217331 OXOMIMJUFZREML-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB CC(=O)N(C)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1657243 HZQQQDWLRTUBCA-UHFFFAOYSA-N 300.314 3.157 5 40 DGBB O=C(Cc1ccccc1)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 6694647 QOXOPNNGAFIKNR-UHFFFAOYSA-N 313.338 3.333 5 40 DGBB Cc1csc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 6503869 GSNGQQPAESILTD-UHFFFAOYSA-N 323.399 3.399 5 40 DGBB CSc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1[N+](=O)[O-] 9368397 YVEMZFKSXDLEAD-SNVBAGLBSA-N 317.370 3.203 5 40 DGBB CCN(C)C(=O)c1cccc(OCc2ccccc2[N+](=O)[O-])c1 72290808 VERZUEVGPSNISE-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB CCOC(=O)c1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 34517298 BRZIWZJAECKVNM-UHFFFAOYSA-N 317.326 3.148 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2ccccc2)n1 33158529 LGHINGYPFHBPKW-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 40091220 FSVQJOLITOLZBM-OAHLLOKOSA-N 312.373 3.066 5 40 DGBB O=[N+]([O-])c1ccc(Nc2ccc(NC3CCOCC3)cc2)nc1 69378456 HNFQKQUBVDWXOC-UHFFFAOYSA-N 314.345 3.324 5 40 DGBB C[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCCC1 36631459 JZFLHOFOWKJYDY-IBGZPJMESA-N 312.433 3.334 5 40 DGBB O=C(N[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21)C(F)(F)F 1687540 MZJXCBAWVCEQBD-ZDUSSCGKSA-N 322.242 3.343 5 40 DGBB CSc1ncccc1C(=O)OCc1cccc([N+](=O)[O-])c1 3312163 GHDRMHXQQFCHOA-UHFFFAOYSA-N 304.327 3.069 5 40 DGBB Cc1cc(Nc2ncccc2[N+](=O)[O-])ccc1N1CCCC1=O 14320427 IKJINBNVSRVSLZ-UHFFFAOYSA-N 312.329 3.169 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F 7924777 MZCCZAZRUOSDIB-SNVBAGLBSA-N 318.304 3.234 5 40 DGBB COc1cc(NC(=O)c2ccccc2C)c([N+](=O)[O-])cc1OC 19900906 AWBXWXFONWNFGU-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1cc(NCc2cnn(C)c2C)c2cc([N+](=O)[O-])ccc2n1 97083957 LRDBKBTXTBLFEC-UHFFFAOYSA-N 311.345 3.105 5 40 DGBB Cc1ccc(O[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)O)cc1C 225126514 LMWBZBDNQUHNKO-MRXNPFEDSA-N 315.325 3.286 5 40 DGBB CNC(=O)c1ccc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 96455263 JEJNYBLYSZSUQK-LLVKDONJSA-N 300.314 3.094 5 40 DGBB CCOc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1[N+](=O)[O-] 16693037 FJXSCGKCTQSXIT-VMPITWQZSA-N 303.270 3.351 5 40 DGBB CCOC(=O)COc1ccc2ccccc2c1/C=C/[N+](=O)[O-] 51047 WAZYCJASOMJTGS-MDZDMXLPSA-N 301.298 3.029 5 40 DGBB O=[N+]([O-])c1cccc(-c2nnc(SCc3ccncc3)o2)c1 1378684 NLVFHUFYNWDZPQ-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 32841965 VLSJIEKFZIPHFU-VIFPVBQESA-N 305.359 3.072 5 40 DGBB O=[N+]([O-])c1ccc2nc(-c3cncc(Br)c3)[nH]c2c1 57351243 OBZFOXMFFFBYJN-UHFFFAOYSA-N 319.118 3.296 5 40 DGBB C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 6623538 MUWKSPZOWMVZIX-LBPRGKRZSA-N 319.405 3.359 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 9578117 OLUNJGNCCLEZPR-INIZCTEOSA-N 310.353 3.331 5 40 DGBB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1C 40114723 OSHGPOJUTLYKSU-YPMHNXCESA-N 317.370 3.031 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 18173627 BTCOWIAZCMMWBA-SECBINFHSA-N 317.267 3.401 5 40 DGBB CC(C)(C)[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] 78821717 CACGSWUJHZHHPS-LLVKDONJSA-N 317.183 3.176 5 40 DGBB Cc1nn([C@H](C)c2nnc(-c3ccccc3)o2)c(C)c1[N+](=O)[O-] 75092386 YIYRXWDOJUMELU-LLVKDONJSA-N 313.317 3.067 5 40 DGBB COc1cc(C(=O)Cc2ccccc2)c([N+](=O)[O-])cc1OC 3850640 QYPZLBYZPDFMBS-UHFFFAOYSA-N 301.298 3.037 5 40 DGBB biogenic CC[N+](C)(CC)C[C@H](O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 231433366 VVKLZZCUENYXJG-XMTFNYHQSA-N 300.507 3.311 5 40 DGBB CCN1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 19371347 JJZFBWRNZPDTJC-UHFFFAOYSA-N 322.408 3.084 5 40 DGBB biogenic Cc1cc(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)no1 12925027 IYNZPEJHACISAT-SNVBAGLBSA-N 304.306 3.116 5 40 DGBB O=[N+]([O-])c1cnccc1NCCc1nc(C(F)(F)F)cs1 96429851 ZNDQQHNDFGWJDS-UHFFFAOYSA-N 318.280 3.120 5 40 DGBB CN(c1ccccc1)c1nc(=O)c2cc3ccc(=O)oc3cc2o1 1563452 RKCGOJMOYZVAQZ-UHFFFAOYSA-N 320.304 3.062 5 40 DGBB CCCCC[C@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 1716532 CYSNZPLDVDMACN-ZDUSSCGKSA-N 308.378 3.310 5 40 DGBB COc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 108924892 ONPHOBAWYXLNFV-OWTLIXCDSA-N 318.373 3.158 5 40 DGBB CCCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9155483 SUEDNGPIXBWVFA-UHFFFAOYSA-N 319.405 3.118 5 40 DGBB C[C@@H]1CCC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2187263 TYXJCXZBHHQYHT-NOZJJQNGSA-N 308.290 3.239 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c2ncccc12 76094799 XAXOZJHWVXWKNC-FUHWJXTLSA-N 321.336 3.213 5 40 DGBB C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc2c(c1)CCO2 84651769 XRVFRSMFKMOBMD-NSHDSACASA-N 324.340 3.351 5 40 DGBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccccc1 72228776 QWRLFHKSVAWIGY-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CC(C)(C)C 96403395 XOPHJCSAEGWXMI-GFCCVEGCSA-N 305.378 3.339 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCCOc2ccccc2[N+](=O)[O-])c1 3141927 TUEJQXRXZOFGGX-UHFFFAOYSA-N 318.285 3.269 5 40 DGBB Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1[N+](=O)[O-] 6390993 WDAKOMJVHSBFJZ-UHFFFAOYSA-N 309.325 3.497 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 7383067 BHZCVRHLXDYDST-UHFFFAOYSA-N 311.341 3.447 5 40 DGBB CN(c1ccccc1)C1CCN(c2ncccc2[N+](=O)[O-])CC1 69593726 DWBZEOHDDJOUFM-UHFFFAOYSA-N 312.373 3.095 5 40 DGBB CC(=O)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 6552323 BHYIHPXXURUVLD-UHFFFAOYSA-N 300.270 3.270 5 40 DGBB C[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 175161 QDNLXTJCVIGZLH-SECBINFHSA-N 317.370 3.428 5 40 DGBB Cc1cccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 177259 SSCKELHGUPDABM-UVTDQMKNSA-N 308.293 3.248 5 40 DGBB Cc1c(C(=O)Nc2nnc(C(C)C)s2)cccc1[N+](=O)[O-] 9367667 WCRGDJGBAAMOEP-UHFFFAOYSA-N 306.347 3.130 5 40 DGBB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 25424859 CHVGYCIKMXOCBJ-JTQLQIEISA-N 303.293 3.173 5 40 DGBB CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 48301822 VGVRHCNKIYPYEV-UHFFFAOYSA-N 321.377 3.088 5 40 DGBB O=C(NCc1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1 76489001 GIZIEPMEJWRLFC-UHFFFAOYSA-N 322.324 3.465 5 40 DGBB Cc1ccc([C@H](C)NC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 95422949 IGUGHRHMWZZBNO-XHDPSFHLSA-N 306.387 3.349 5 40 DGBB CCOC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 97163070 FCRKYXDISHFLTD-ZDUSSCGKSA-N 321.377 3.184 5 40 DGBB c1ccc2c3nn4cnc5sc6c(c5c4nc-3nc2c1)CCC6 2581613 OVFKHTBAWFWWTB-UHFFFAOYSA-N 317.377 3.481 5 40 DGBB CC(C)CNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 17127628 NQHHUOZSZDZGMU-UHFFFAOYSA-N 319.405 3.361 5 40 DGBB CS(=O)(=O)c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 5637864 VWAXBBVWWPGBKV-UHFFFAOYSA-N 324.402 3.301 5 40 DGBB CCOc1cccc(N2CCC(c3ccn[nH]3)CC2)c1[N+](=O)[O-] 97108535 DPHQAYPMWQCGME-UHFFFAOYSA-N 316.361 3.101 5 40 DGBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C 2660637 KHIBKYXMVVVFET-UHFFFAOYSA-N 322.748 3.465 5 40 DGBB O=C(Nc1ncccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 6816159 UMOZKSTXMPJJLA-UHFFFAOYSA-N 311.341 3.440 5 40 DGBB C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-n1cnnc1 216751448 PPHSDKJHWHLLAA-DGCLKSJQSA-N 301.350 3.166 5 40 DGBB Cc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 176783 YTNVCQNEGUOURK-XNTDXEJSSA-N 308.293 3.248 5 40 DGBB Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 8215312 STLIXZKKYPPGCQ-LLVKDONJSA-N 316.313 3.015 5 40 DGBB COc1ccc(CCOC(=O)c2ccccc2[N+](=O)[O-])cc1 6060057 ZLJVTWRBZGSVFI-UHFFFAOYSA-N 301.298 3.003 5 40 DGBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 5050681 UDZPCTVOSOTOMN-QMMMGPOBSA-N 320.328 3.060 5 40 DGBB COCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 29146394 FCTTWCNCLIMXBL-UHFFFAOYSA-N 300.314 3.302 5 40 DGBB CNc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] 195561954 FBBMNCVKMZWCLM-LBPRGKRZSA-N 300.362 3.225 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccn1 6255588 CLDXWDDINOMBGR-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB C[C@@H](NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6494447 NIKAAGXDMYYIBH-CYBMUJFWSA-N 314.341 3.102 5 40 DGBB COC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4246578 GXPHZONHZUWQKS-UHFFFAOYSA-N 323.377 3.301 5 40 DGBB Cc1ccc(O[C@@H](C(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 7181346 OCDQGSBGSVXHMG-MRXNPFEDSA-N 314.341 3.112 5 40 DGBB CC(=O)c1ccc(N[C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 76019687 SYYZYWBZLKGKQI-ZDUSSCGKSA-N 320.370 3.395 5 40 DGBB O=[N+]([O-])c1cnccc1N1CCC(Oc2ccc(F)cc2)CC1 96406544 YEWZTYVEPXDJMX-UHFFFAOYSA-N 317.320 3.177 5 40 DGBB O=[N+]([O-])c1ccc(N(CCCO)Cc2cccnc2)c(Cl)c1 89793981 FTMMLAIUHGDCGC-UHFFFAOYSA-N 321.764 3.032 5 40 DGBB Sc1nnc2nc3c4ccccc4c4ccccc4c3nn12 17108518 XYUAPQGWVXYLOF-UHFFFAOYSA-N 303.350 3.268 5 40 DGBB O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1Cl 7781297 VQSCOCGKCWNPAK-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB Cc1ccc(OCC(=O)c2cc(C)c(C)cc2C)c([N+](=O)[O-])n1 8579262 HWIXCTXXQXSULW-UHFFFAOYSA-N 314.341 3.485 5 40 DGBB CO[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 562667 OCDUODRKAIICAA-HNNXBMFYSA-N 300.314 3.229 5 40 DGBB CC1(c2ccc([N+](=O)[O-])cc2)OCC2(CO1)C[C@@H]1C=C[C@H]2C1 3852127 XMTROAFAWPRERU-GCAGUQRRSA-N 301.342 3.397 5 40 DGBB O=[N+]([O-])c1c(SC[C@@H](O)c2ccccc2)nc2sccn12 52427105 ZBAUXGZSJQCDSQ-SNVBAGLBSA-N 321.383 3.130 5 40 DGBB Nc1nc(SCc2cccc([N+](=O)[O-])c2)nc2sccc12 9835849 GOHKDLBYYHYVJH-UHFFFAOYSA-N 318.383 3.474 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)nc1 22804090 YQOPUQROLGXXRV-CQSZACIVSA-N 316.361 3.222 5 40 DGBB O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2ncccc12 24201339 PKKVFFRNHNALTK-UHFFFAOYSA-N 312.373 3.182 5 40 DGBB COc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 22508850 RIZPALCIAOHUIJ-NSHDSACASA-N 316.313 3.009 5 40 DGBB COc1ccc(CCNC(=S)c2cccc([N+](=O)[O-])c2)cc1 408573770 OCMDNBOIIZSYGD-UHFFFAOYSA-N 316.382 3.111 5 40 DGBB CC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 96416623 PEUHPULHNFSYTA-OAHLLOKOSA-N 319.386 3.415 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc3c4ccccc4nc(S)n3n2)cc1 6885993 BQBZRMYZMRVUBH-UHFFFAOYSA-N 323.337 3.141 5 40 DGBB Cc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2F)cc1F 40152847 RNOSEVKJSNFQIZ-UHFFFAOYSA-N 321.283 3.232 5 40 DGBB CCn1cc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 193558265 DQOPBTBHVALYRZ-UHFFFAOYSA-N 314.301 3.045 5 40 DGBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCCC2)cc1OC 29484150 YJCKRSKWYZZRNC-UHFFFAOYSA-N 322.361 3.018 5 40 DGBB Cc1nn([C@H](C)c2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] 386264 BJGQBPJSAYVKOO-LLVKDONJSA-N 313.317 3.067 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(N)cc1 17054274 BEFYJLSBXADBAF-UHFFFAOYSA-N 317.370 3.216 5 40 DGBB C[C@]1(Nc2ccc([N+](=O)[O-])cc2)CC(=O)N(c2ccccc2)O1 5356570 NWZPIJPULYRGSZ-MRXNPFEDSA-N 313.313 3.091 5 40 DGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 483927 PBQXLXYGBRGLSV-UHFFFAOYSA-N 320.688 3.229 5 40 DGBB O=C(c1ccc(Cl)cc1)n1ncc2ccc([N+](=O)[O-])cc21 6225405 DOSKSIDXHUAJBQ-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB O=C(NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])s1 3426920 YIFNTXAKETXDSY-UHFFFAOYSA-N 315.354 3.110 5 40 DGBB Cc1c(NC(=O)c2cnc3ccccc3n2)cccc1[N+](=O)[O-] 8744788 MTEWVIUICRQSQX-UHFFFAOYSA-N 308.297 3.099 5 40 DGBB CCN(Cc1cccs1)C(=O)Nc1ccncc1[N+](=O)[O-] 97080937 NAGQGTVKKMLJAL-UHFFFAOYSA-N 306.347 3.105 5 40 DGBB CCCCSc1nnc2nc3c(nn12)c1ccccc1n3C 35655419 BAVMGUNLWPKZDS-UHFFFAOYSA-N 312.402 3.056 5 40 DGBB CCOc1ccc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292261 IVJWHAKECYIVRD-UHFFFAOYSA-N 301.298 3.233 5 40 DGBB O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccnc2ccccc12 96451541 SJZBUCBOQQXRIA-UHFFFAOYSA-N 321.336 3.002 5 40 DGBB COc1ccc(C)cc1CN(C)C(=O)c1ccccc1[N+](=O)[O-] 21710768 SEOBPAUDBNWQPT-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB O=[N+]([O-])c1ccc(NCc2cccc(CN3CCCC3)c2)nc1 36391967 NLNWINVULSYGTL-UHFFFAOYSA-N 312.373 3.198 5 40 DGBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 4289711 DBQDVYMLCXKHJI-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB O=[N+]([O-])c1ccc(/C=C/c2nccn2Cc2ccccc2)nc1 84503583 PGUCDMCZOMOCNI-VQHVLOKHSA-N 306.325 3.405 5 40 DGBB Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 71977409 ZECVJQUXEWKPRC-UHFFFAOYSA-N 310.288 3.440 5 40 DGBB Cc1cnc2c(C)ccc([N+](=O)[O-])c2c1NCCCN(C)C 1625758 YTOQPLUEKVBDKT-UHFFFAOYSA-N 302.378 3.123 5 40 DGBB O=C(CNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(O)cc1 58282728 CPYFILSRODIMEV-UHFFFAOYSA-N 321.720 3.004 5 40 DGBB Cc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6389672 AALPDWOMPFTYNS-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB Cc1cc(C)n(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)n1 5697921 XYSIAMZDHSXALP-UHFFFAOYSA-N 312.285 3.459 5 40 DGBB CC(=O)c1ccc(N[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 25567252 KEIFCURZMANCIF-CYBMUJFWSA-N 314.345 3.020 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 10885374 WVJACVRJAWSMJA-AATRIKPKSA-N 314.366 3.254 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CCOCC1 97145797 IXQFMJDGZOXTME-GFCCVEGCSA-N 321.377 3.148 5 40 DGBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl 409369882 GVPSJRYGAXEQCV-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc(F)cc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 409177810 IWYMQUKVCMHTTF-UHFFFAOYSA-N 321.333 3.168 5 40 DGBB O=C(CSc1ncccc1[N+](=O)[O-])NC1CCCCCCC1 67648315 MDNAHYONAXJNLK-UHFFFAOYSA-N 323.418 3.311 5 40 DGBB O=C([C@H]1CCOC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 69700958 JLSNYUBVMZKNOY-NSHDSACASA-N 324.764 3.028 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C 2626868 HDNKAVXGFGXSRZ-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=C1N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ccccc21 3239734 QXSNGLOPGJMYRX-ZDUSSCGKSA-N 303.705 3.102 5 40 DGBB CC(=O)c1ccc(NC[C@@H](O)c2ccccc2F)c([N+](=O)[O-])c1 44913995 SRKVYCFYRXBTRK-MRXNPFEDSA-N 318.304 3.082 5 40 DGBB O=C(Nc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 18253835 CGZYJGHMXKWWBK-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB CN(c1ccc(O)cc1)c1c([N+](=O)[O-])c(=O)oc2ccccc12 5737977 JWNQCKKHTHEONG-UHFFFAOYSA-N 312.281 3.175 5 40 DGBB O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@H]1CCC[C@@H]1O 95437096 RFRABLISFHDZQD-YGRLFVJLSA-N 321.764 3.369 5 40 DGBB CSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 27168422 UIDVNSMMBICEPO-VIFPVBQESA-N 306.343 3.401 5 40 DGBB Cc1ccc([N+](=O)[O-])c2c1[C@H](N1C[C@H](C)O[C@H](C)C1)C(C)(C)O2 12954263 KXNOTNFTDYFDHS-OZVIIMIRSA-N 320.389 3.225 5 40 DGBB C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 95413877 PKZFGGRLDDOZHT-GXFFZTMASA-N 305.359 3.018 5 40 DGBB CCc1cc(C(=O)N2CCC(C)CC2)c(OC)c([N+](=O)[O-])c1 72206653 QGDKAJNFUFZRHX-UHFFFAOYSA-N 306.362 3.038 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1cccc(C)c1 12569468 YNEKPGSDMOYMNP-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(Cl)cc1 17297647 FTERJEYHJUVCSO-UHFFFAOYSA-N 318.760 3.150 5 40 DGBB O=[N+]([O-])c1ccccc1CNC[C@H](O)c1ccc(Cl)cc1 50015759 DNQMHPYONSNIMI-HNNXBMFYSA-N 306.749 3.071 5 40 DGBB CC(C)C[C@H](C)N(C)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 31409567 MCDUXZRPZWDZKS-LBPRGKRZSA-N 307.394 3.167 5 40 DGBB Cn1cnc([N+](=O)[O-])c1Sc1ccc(Br)cc1 481405 XLFUVMNKHCIQDM-UHFFFAOYSA-N 314.164 3.242 5 40 DGBB Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 22050672 VGYAZIWXVIXGOD-MGPQQGTHSA-N 320.389 3.223 5 40 DGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1[C@@H]1C[C@H]2CC[C@H]1C2 105312546 ASXTUVFJHPBHEQ-WYURAEBNSA-N 318.398 3.357 5 40 DGBB O=C(Nc1ccccc1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 5947396 ZQDKTUNIRWGWBK-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB O=C(Nc1cccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])s1 71854122 WQILZTPHRBNKJD-UHFFFAOYSA-N 317.248 3.322 5 40 DGBB Cn1nnnc1SCc1nc2ccccc2c2ccccc12 13208143 WCCBHNBCIZQYQR-UHFFFAOYSA-N 307.382 3.204 5 40 DGBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 5584360 XJIHPHWRRLXMDI-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 5003463 VMKCABFUBUVSDE-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 5050672 UDZPCTVOSOTOMN-MRVPVSSYSA-N 320.328 3.060 5 40 DGBB COc1cc(Cc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC 282386 JOLOHCVYUNDOIF-UHFFFAOYSA-N 313.313 3.079 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2cccnc12 556477 XAWIJRWGOXXWBL-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 54613648 FABZZRRWDWHIBB-UHFFFAOYSA-N 312.753 3.028 5 40 DGBB O=[N+]([O-])c1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 104809826 HOLWYUHDLWSCRH-INIZCTEOSA-N 319.324 3.242 5 40 DGBB CC(=O)C(C(C)=O)[C@@H](c1ccco1)[C@@H](c1ccccc1)[N+](=O)[O-] 108938923 RNQFOKZSCUCRSO-IAGOWNOFSA-N 315.325 3.175 5 40 DGBB O=[N+]([O-])c1ccc(O)cc1CN1CCS[C@@H]2CCCC[C@@H]21 93689884 LVNVKKGPPGKLRY-LSDHHAIUSA-N 308.403 3.160 5 40 DGBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 20529030 OPDRLPOLOCBJOV-UHFFFAOYSA-N 318.285 3.005 5 40 DGBB C[C@H](COc1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] 89511948 YPTBAOIDGXDBLC-LLVKDONJSA-N 322.311 3.430 5 40 DGBB CSc1nnc2c3sc4nc(C)cc(C)c4c3ncn12 32087992 BDGKZNINVGZLMD-UHFFFAOYSA-N 301.400 3.226 5 40 DGBB CN(C)C(=O)c1cc(NCc2ccccc2[N+](=O)[O-])ccc1F 84494901 PXYYCYHZRHIDGF-UHFFFAOYSA-N 317.320 3.048 5 40 DGBB COC(=O)c1cccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 44154661 UWJQBOVNRSQLLV-UHFFFAOYSA-N 314.219 3.191 5 40 DGBB CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(F)cc1 58140428 GYCPCKWLTNZWPG-UHFFFAOYSA-N 318.348 3.465 5 40 DGBB Cc1csc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 12635124 GNRATKNILMKIAK-UHFFFAOYSA-N 318.358 3.186 5 40 DGBB O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 41110 CRAINYVWWAWUGM-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 46503683 OSZLLCKFKZECOJ-UHFFFAOYSA-N 302.334 3.019 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@]23C 100631939 KSTMBVIMPFZXMJ-UQCMEYCASA-N 316.357 3.129 5 40 DGBB COCc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 25334433 OUYYCXNLFMEIJZ-UHFFFAOYSA-N 300.314 3.302 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccco2)c(Cl)c1 12901876 XNAUNHANXPNWNQ-SNVBAGLBSA-N 310.737 3.104 5 40 DGBB Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 587043 ZLTXOWSFTVGIHF-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-] 110532153 BIZXMRGKBNBOEZ-PWNZVWSESA-N 302.374 3.458 5 40 DGBB NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12 73641962 HRJXVQODVXYZON-UHFFFAOYSA-N 317.688 3.155 5 40 DGBB Cc1c(NC(=O)NCc2ccc(F)cc2)cccc1[N+](=O)[O-] 40099083 GVNNOHKFTUKYEM-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 96413902 WKAQIGGHHZJSNR-LLVKDONJSA-N 318.398 3.255 5 40 DGBB CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 69666426 DWWMAVGLLIDKIP-SECBINFHSA-N 312.753 3.026 5 40 DGBB O=c1ccc([N+](=O)[O-])cn1CCC12CC3CC(CC(C3)C1)C2 21730309 KSHPQCFWRNHBHC-UHFFFAOYSA-N 302.374 3.363 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2ncccc21 8708498 VMCBHDOHKKXSAV-UHFFFAOYSA-N 317.732 3.236 5 40 DGBB COc1ccccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 9339277 RDSPANDKXNCAHF-LLVKDONJSA-N 315.329 3.043 5 40 DGBB O=[N+]([O-])c1cc(CSc2nc(-c3cccnc3)n[nH]2)cs1 69698661 OIEYCDWUDHNESI-UHFFFAOYSA-N 319.371 3.129 5 40 DGBB CCOC(=O)c1ccc(-c2ccc(OCC)c([N+](=O)[O-])c2)o1 73640211 XZJZRVAQBVRCOA-UHFFFAOYSA-N 305.286 3.430 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cccc[n+]1[O-] 2148819 IJUWDIXJKDTFPB-UHFFFAOYSA-N 316.260 3.398 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc(F)c1 8748784 CMWJLRPNAUBNLO-VMPITWQZSA-N 316.288 3.394 5 40 DGBB COc1ccc(NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 557928 NPIHSOKHDQUBBH-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC=CC[C@H]2C1 96433633 NSAOOZOPXLGBBQ-BETUJISGSA-N 301.346 3.333 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 5604163 JDPHEOAKQNHENO-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB COc1cc(OC)c(/C=C(/C)[N+](=O)[O-])cc1Br 1560451 XWABUAXWCXXWQE-DAXSKMNVSA-N 302.124 3.104 5 40 DGBB CCOc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 3330606 LCWWIXUWXSAGOE-UHFFFAOYSA-N 317.297 3.221 5 40 DGBB CN(Cc1cccs1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 3396348 VDAHEMUQSNIEPG-CMDGGOBGSA-N 302.355 3.328 5 40 DGBB CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n[nH]1 96002379 OAQFBBVXELRVRS-UHFFFAOYSA-N 320.374 3.381 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCC(OC[C@@H]2CCCCO2)CC1 79021948 BSVHCEDOIHPBNZ-HNNXBMFYSA-N 320.389 3.149 5 40 DGBB COc1ccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 2621860 SJIOALXXAYPXOA-JXMROGBWSA-N 313.309 3.360 5 40 DGBB O=C1CSc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 480231 QRGSMOZMYJBEOR-UHFFFAOYSA-N 300.339 3.234 5 40 DGBB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 580043 GHQWWOFKHJNETE-HNNXBMFYSA-N 300.314 3.391 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C1CC1 12910980 YZAOSNVBJRZUEL-RMKNXTFCSA-N 312.325 3.392 5 40 DGBB CCc1cc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])s3)nc2s1 96467631 LVESMRBPNVMMBW-UHFFFAOYSA-N 307.356 3.184 5 40 DGBB C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccs1 50037533 PSRHRIHZEQTNKR-ZETCQYMHSA-N 312.297 3.426 5 40 DGBB Cc1csc([C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 97112816 GNSLLDRJBPEMPW-VIFPVBQESA-N 320.374 3.285 5 40 DGBB O=C(CC[C@@H]1CCCOC1)N1CCCc2ccc([N+](=O)[O-])cc21 95963550 UDTCDGBDOQHORF-ZDUSSCGKSA-N 318.373 3.081 5 40 DGBB O=C(COC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 62310 LTIAHWBVLQEJFC-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB O=[N+]([O-])c1ccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 100172195 TYMFENATLFITEZ-UHFFFAOYSA-N 305.202 3.204 5 40 DGBB Nc1ccccc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 408600097 UKLKPCVWHSMSGB-UHFFFAOYSA-N 321.333 3.047 5 40 DGBB COc1ccc(NC(=O)CSc2ccoc2C)c([N+](=O)[O-])c1 96003395 PJAJYPUEOATJBA-UHFFFAOYSA-N 322.342 3.236 5 40 DGBB C[C@](c1ccccc1)([N+](=O)[O-])[C@@](C)(c1ccccc1)[N+](=O)[O-] 4268148 MZMUWWAGTHZPRB-HZPDHXFCSA-N 300.314 3.371 5 40 DGBB biogenic CCOc1cccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 14258216 CGLBKCJAGJCQFI-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 108924889 ONPHOBAWYXLNFV-MNXVOIDGSA-N 318.373 3.158 5 40 DGBB COCc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 25336154 CPTXGQVZSJYMGU-UHFFFAOYSA-N 306.343 3.363 5 40 DGBB CC(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1Cl 14327867 UGXDCMDUJWRXPN-UHFFFAOYSA-N 306.709 3.345 5 40 DGBB CC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 4721092 GVEFQSYZTXFZIC-UHFFFAOYSA-N 308.293 3.306 5 40 DGBB CCOC[C@@H]1CCN(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)C1 81606710 QQHUSEUCBJDUMP-GFCCVEGCSA-N 321.377 3.048 5 40 DGBB CCn1nc(C)c(CNc2ccc([N+](=O)[O-])c(OC)c2)c1C 89300197 VKSKZGUHGZPAKW-UHFFFAOYSA-N 304.350 3.049 5 40 DGBB Cc1cc(O)c(C(C)C)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 84077389 HAFWNLFYDBDDNO-UHFFFAOYSA-N 318.333 3.016 5 40 DGBB COc1ccc(C(C)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 13946031 ILXKIWYWPDZDEV-UHFFFAOYSA-N 314.297 3.058 5 40 DGBB COc1ccc(-c2c/c(=N\O)c3cc([N+](=O)[O-])ccc3o2)cc1 100670711 HXLLZRYBDZSBSX-SAPNQHFASA-N 312.281 3.307 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)NC1CCCCC1 31459068 PSONCKKCTHYLMG-UHFFFAOYSA-N 306.362 3.039 5 40 DGBB CC(C)(C)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 2777375 OYOMZACWZSIFDL-UHFFFAOYSA-N 320.374 3.287 5 40 DGBB CC(C)N(C)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 199801103 XZKJJYVFNIUCNT-UHFFFAOYSA-N 322.756 3.021 5 40 DGBB O=[N+]([O-])c1ccc(NCn2nnc3ccccc32)c(Cl)c1 5669847 PCSLGBUKVSFHJC-UHFFFAOYSA-N 303.709 3.063 5 40 DGBB Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] 4276474 ITAYSBACGCHAIG-NSHDSACASA-N 318.304 3.448 5 40 DGBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 5109291 ZFTDBRNFZYBLQL-GFCCVEGCSA-N 300.314 3.025 5 40 DGBB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 5866322 OJKGHGVTFXTJPM-LBPRGKRZSA-N 300.314 3.309 5 40 DGBB Cc1ccc([C@@H](C)NCCC(=O)NC2CCCC2)cc1[N+](=O)[O-] 95420740 RPDZKBFVAZUWNK-CYBMUJFWSA-N 319.405 3.003 5 40 DGBB Cc1c([N+](=O)[O-])cc(C(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-] 2065153 GXUUKNZYZQCOQB-UHFFFAOYSA-N 309.322 3.070 5 40 DGBB biogenic COc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 226292033 DLUVUVTXSQBIFA-MRXNPFEDSA-N 303.314 3.002 5 40 DGBB C[C@@H](Nc1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 67368687 ISJJJTZXMOQEEM-MRVPVSSYSA-N 323.150 3.320 5 40 DGBB CCc1cccc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 14255561 VEXNVXYJPIEBQG-UHFFFAOYSA-N 320.370 3.266 5 40 DGBB CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cc2ccc(C(=O)O)cn12 3622796 IWONWJIYKWFJIF-UHFFFAOYSA-N 324.292 3.415 5 40 DGBB O=[N+]([O-])c1ccc(N2CCc3cn(-c4ccccc4)nc3C2)cc1 4052631 FJNYYXZYFSWTJQ-UHFFFAOYSA-N 320.352 3.343 5 40 DGBB CC(C)=CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6989119 IJBTYWLFTALHEW-JTQLQIEISA-N 317.301 3.215 5 40 DGBB Cc1c(C(=O)n2cc(CO)c3ccccc32)cccc1[N+](=O)[O-] 216960572 PTDCHNWVLNXPQF-UHFFFAOYSA-N 310.309 3.039 5 40 DGBB CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 95348007 OYKVDHNZFSJFAJ-NSHDSACASA-N 307.350 3.016 5 40 DGBB in-vitro CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1NC(C)C 20405767 OYPPWIOVFFZMLE-UHFFFAOYSA-N 303.318 3.140 5 40 DGBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3ccccc23)n1 355806 GRUPTAGPGRGMPG-UHFFFAOYSA-N 310.313 3.217 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 216806574 CKACAJXMUKHMDC-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB Cc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] 226273666 YKFTVDJGMTVNIK-NSHDSACASA-N 300.314 3.209 5 40 DGBB Cc1ccc(Cl)c(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 2626979 IPCFLVONKRGAHP-UHFFFAOYSA-N 306.705 3.448 5 40 DGBB COc1cc(C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 3850638 COTAZRPQPCRGDF-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB biogenic C[C@H]1CN(C(=O)c2cccc3nc4ccccc4nc23)C[C@@H](C)O1 76494943 USDMCIKXMRWQOU-BETUJISGSA-N 321.380 3.032 5 40 DGBB NC(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 39305266 QELSOSPOQVEJGL-UHFFFAOYSA-N 305.384 3.402 5 40 DGBB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 13475861 UMQQXOPMXGZMCZ-ZBFHGGJFSA-N 318.373 3.016 5 40 DGBB biogenic C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 12789727 NTGFVKZGFUBISJ-NSHDSACASA-N 302.305 3.154 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 58004683 LYXSYMALVOJRSJ-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(F)(F)F 8054022 FYERAXTVQKYYPD-UHFFFAOYSA-N 317.248 3.219 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1 9610042 XNHPBMKXDONDGO-OLZOCXBDSA-N 313.357 3.273 5 40 DGBB CCNCc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 37563260 SNGMCKUIHNRQKO-UHFFFAOYSA-N 305.359 3.018 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc12 73641890 YNWRHTGUQIQEAH-UHFFFAOYSA-N 302.217 3.240 5 40 DGBB COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5526975 DUFBTVMRWUDLAK-UHFFFAOYSA-N 300.314 3.175 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(C(C)(C)C)no1 30967758 BDQYMEGGFLDDNZ-UHFFFAOYSA-N 318.377 3.297 5 40 DGBB Cc1ccc2c(c1)nnn2CNc1ccc(Cl)c([N+](=O)[O-])c1 3151840 PISFXLCIASOQIV-UHFFFAOYSA-N 317.736 3.371 5 40 DGBB O=C(CCC(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 2651401 LICZNSGUJFQZFL-UHFFFAOYSA-N 304.327 3.258 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2nsnc2c1 59294452 QCVNBFQPMJALIC-UHFFFAOYSA-N 314.326 3.160 5 40 DGBB COc1cc(CN2CCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1O 93335360 PISJSSLYMQEHFE-LBPRGKRZSA-N 318.329 3.239 5 40 DGBB Nc1nc(NC(c2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] 71810484 WAYWSRFTYOJUEI-UHFFFAOYSA-N 321.340 3.169 5 40 DGBB Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-] 110532145 BIZXMRGKBNBOEZ-ABHRYQDASA-N 302.374 3.458 5 40 DGBB Cc1c(NC(=O)c2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] 14798661 KLMVCAVZFLMULP-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])c(Cl)c1 2766159 DWSOOTYRECTVPD-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB COc1cc(N(C)CCOc2ccccc2F)ccc1[N+](=O)[O-] 76061460 DVTVBHUOAZPBHL-UHFFFAOYSA-N 320.320 3.258 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccccc2)c2ncccc12 78411501 KICIBFQWPIHBIY-CQSZACIVSA-N 323.352 3.159 5 40 DGBB COC(=O)/C=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 226257676 RLYLVWSYZAWWSQ-VMPITWQZSA-N 303.270 3.050 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1F 19169506 LIIRPWWQKRNNQG-UHFFFAOYSA-N 318.304 3.314 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccncc3)no2)c1 70422 WVXOXMKQMHRPMY-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB COc1ccc(C)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 6394923 NTECUAYTWUDAQU-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] 55655342 ZTVBWQRJMKQZOC-CQSZACIVSA-N 300.289 3.151 5 40 DGBB O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cccn2)cc1 58378095 XVTFCVKQRLBCSO-UHFFFAOYSA-N 308.341 3.452 5 40 DGBB O=[N+]([O-])c1ccc(CSc2ncn(-c3ccccc3)n2)cc1 11474709 YPSWQDJCDSDBFL-UHFFFAOYSA-N 312.354 3.468 5 40 DGBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 6474642 FQHUSBNTDFSWTJ-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2cn[nH]c12 25982546 NNYKHBJORDAJNP-UHFFFAOYSA-N 324.340 3.133 5 40 DGBB Cc1ccc(NCc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 40174573 FAVFYVVOQGQDQT-UHFFFAOYSA-N 309.329 3.300 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 255478 INHXLXHZAAPPEQ-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB Cc1ccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F 8075069 FZFCFTZHTSKHOZ-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB NC(=O)c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1 2665235 NTFJJPIFMVYTIW-UHFFFAOYSA-N 309.281 3.034 5 40 DGBB Cc1ccc(C(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1C 2628072 YZOHQTKMEWMIJB-ZDUSSCGKSA-N 301.346 3.469 5 40 DGBB Cc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 103332485 VLODDECTLAOXBU-NQBHXWOUSA-N 305.403 3.378 5 40 DGBB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1ccc([N+](=O)[O-])o1 69389524 LVCKUZCMICJTNL-UHFFFAOYSA-N 319.292 3.179 5 40 DGBB COc1cc(/C=C/[N+](=O)[O-])c2c(c1Br)CCCO2 4159507 SQHPPCPCUFTPTG-SNAWJCMRSA-N 314.135 3.030 5 40 DGBB C[N+]1(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CCCCCC1 36640195 DLAPRYASTKTTJE-WFRNDULYSA-N 322.513 3.353 5 40 DGBB O=C(c1ccccc1[N+](=O)[O-])N1CCCc2ccc(F)cc21 40117115 XUSCGWNOISLRDR-UHFFFAOYSA-N 300.289 3.327 5 40 DGBB CONC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 53836317 QDFIULRFHZOJGZ-VQHVLOKHSA-N 304.327 3.014 5 40 DGBB Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)c(N)c([N+](=O)[O-])c1 72282455 LCRKVPLCKJIQOT-UHFFFAOYSA-N 310.313 3.219 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccc(F)cc1 218158674 MMYOSZFPQXLALM-UHFFFAOYSA-N 316.332 3.025 5 40 DGBB CC(C)(C)N(C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCCCC1 10254432 HFUQHIOLKFMMBA-UHFFFAOYSA-N 323.349 3.034 5 40 DGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Cl 186126 FMOYBIMMIKTZPE-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])n1cnc2ccccc21 288784 ZGWCLBWAGIHEIO-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB CCOC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 58790714 BZPDMOJGHNKTNX-TXEJJXNPSA-N 306.362 3.254 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1 8777121 CRHCYPDUPGZZML-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB Cc1ccc(OCC(=O)c2ccc(Cl)s2)c([N+](=O)[O-])n1 6507504 PVHFOEZWDXSARU-UHFFFAOYSA-N 312.734 3.275 5 40 DGBB COCc1cccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 95436560 NTLKPNNHOYZJNR-UHFFFAOYSA-N 300.314 3.018 5 40 DGBB Cc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)ncc1[N+](=O)[O-] 95421419 FKGTYHJZEDXICG-ZDUSSCGKSA-N 317.349 3.368 5 40 DGBB COc1ccc(NC(=O)c2cccc(C)c2OC)cc1[N+](=O)[O-] 14258208 HVAAODUTTZQOOU-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1[N+](=O)[O-] 8424663 HSZURXFZPOTLED-UHFFFAOYSA-N 318.245 3.463 5 40 DGBB COc1cc([N+](=O)[O-])ccc1/N=c1\ssnc1Cl 100149406 ATRSCOBWBQTDNF-LUAWRHEFSA-N 303.752 3.007 5 40 DGBB CC(=O)Oc1ccc(Br)cc1/C=C(\C)[N+](=O)[O-] 108947140 KSCYMUZIDHAYKU-FNORWQNLSA-N 300.108 3.012 5 40 DGBB COC(=O)c1ccoc1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 24864759 VQAGUOHVROICOO-NSHDSACASA-N 318.329 3.167 5 40 DGBB C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccs1 78148796 MFQGEEGZTLTQCK-SNVBAGLBSA-N 302.355 3.349 5 40 DGBB COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])c(N)s1 3227254 LOBFIUYIZAIWFX-UHFFFAOYSA-N 310.356 3.176 5 40 DGBB O=[N+]([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 33354228 ZFPQCDUWZQROIK-UHFFFAOYSA-N 305.202 3.204 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(F)cc1 78944269 MZTYTXMGGLSQPQ-UHFFFAOYSA-N 318.304 3.314 5 40 DGBB C[C@@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 252510423 ZKALJRXAKTWMDK-QMMMGPOBSA-N 300.240 3.009 5 40 DGBB C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 20230509 CCYCJDYRWZROCX-UHFFFAOYSA-N 304.845 3.448 5 40 DGBB C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 2648360 XVXNUIUGBKLTEF-GFCCVEGCSA-N 313.357 3.403 5 40 DGBB Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 6520622 AOPQENUGRILQSP-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 470301 XCTXJFDIPMKRKI-UHFFFAOYSA-N 307.689 3.233 5 40 DGBB Cc1ccc(O[C@@H](C)c2nc(-c3ccco3)no2)c([N+](=O)[O-])n1 29739015 ZPZVYYDDBJNCLX-VIFPVBQESA-N 316.273 3.081 5 40 DGBB CCC(C)(C)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104255075 FAALGAGROZLSNQ-UHFFFAOYSA-N 312.282 3.259 5 40 DGBB CCOc1c(Br)cc(/C=C\[N+](=O)[O-])cc1OC 5552223 SUUZKWDKJAWKJT-PLNGDYQASA-N 302.124 3.104 5 40 DGBB CCOC(=O)COc1ccc(/C=C(\C)[N+](=O)[O-])c2ccccc12 1570357 QCWITBLXLXGWBQ-ZRDIBKRKSA-N 315.325 3.419 5 40 DGBB CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1702712 RKCSYZCCHJYEHS-UHFFFAOYSA-N 317.257 3.254 5 40 DGBB O=C(Oc1ccc2c(c1)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1 3328572 SEHSEDBZMIKEDR-UHFFFAOYSA-N 321.672 3.196 5 40 DGBB O=C(NCc1ccc(Cl)s1)c1cc(F)ccc1[N+](=O)[O-] 69535502 KMEKFXIWKMALFZ-UHFFFAOYSA-N 314.725 3.379 5 40 DGBB O=c1ccc(C(F)(F)F)cn1CCc1ccc([N+](=O)[O-])cc1 77894937 YAGXYXOECJZOJE-UHFFFAOYSA-N 312.247 3.018 5 40 DGBB CCOc1ccc([C@H](O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292312 QSQVUJKAQBYZCP-INIZCTEOSA-N 303.314 3.084 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 245232250 RTMOHIUWLIAADG-XKGZKEIXSA-N 318.437 3.261 5 40 DGBB Cc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1[N+](=O)[O-] 226802 RCKMDFKYZKSOKU-LLVKDONJSA-N 300.314 3.209 5 40 DGBB O=C1c2ccc(Cl)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 362421 BZCNYZASWZUDKJ-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB CCc1ccc(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 3223321 OEJXDKGKLOBZHL-LBPRGKRZSA-N 316.361 3.170 5 40 DGBB Cc1ccc(NCc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 95436061 BLMMNNNORSHXJT-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 224929287 HGCLWOGSWBGJFC-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB O=C(NC1CCC(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])o1 32754750 PKIKXGPNLSIYAM-UHFFFAOYSA-N 306.240 3.039 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 2616544 VWXQUPFCRZNOCW-UHFFFAOYSA-N 308.403 3.383 5 40 DGBB Cc1ccc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)o1 29270926 JDHYZKZJCLLEKP-UHFFFAOYSA-N 320.370 3.247 5 40 DGBB CC(=O)Nc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 1699670 NTJRZHQHSKXTDZ-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB COc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])c(OC)c1 8317516 TUKCQLCWGJNXBF-UHFFFAOYSA-N 320.330 3.065 5 40 DGBB Cc1ccc(C(=O)NCCSc2ccccc2)cc1[N+](=O)[O-] 18214325 BNHIUHMXKXYKAV-UHFFFAOYSA-N 316.382 3.425 5 40 DGBB Cc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 67451987 JEVGARRJKRWBFC-MRXNPFEDSA-N 311.341 3.121 5 40 DGBB C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1ccnc1 95981729 CAKLQGSXOLKYSA-LRDDRELGSA-N 318.352 3.014 5 40 DGBB O=C(NC12CC3CC(CC(C3)C1)C2)c1csc([N+](=O)[O-])c1 42564654 TXFZMNBSAILRNZ-UHFFFAOYSA-N 306.387 3.355 5 40 DGBB O=[N+]([O-])c1cccc(CSc2nnc(-c3cccnc3)o2)c1 1378760 BXGYCXZZHDACPX-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB COc1cccc([C@@H](CNc2ccccc2[N+](=O)[O-])N(C)C)c1 25280526 PYLQOIZIFQAIKZ-QGZVFWFLSA-N 315.373 3.318 5 40 DGBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 5109332 QILLIMHLQIFCKY-JTQLQIEISA-N 304.277 3.140 5 40 DGBB CCNc1ccc(-c2noc(-c3ccncc3)n2)cc1[N+](=O)[O-] 9669044 JQDYEFMHZVQVIO-UHFFFAOYSA-N 311.301 3.139 5 40 DGBB C[C@@H](COc1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] 89511947 YPTBAOIDGXDBLC-NSHDSACASA-N 322.311 3.430 5 40 DGBB C[C@H]1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@H](C)C1 59461472 JDGBERZXNHFTLX-WDEREUQCSA-N 302.330 3.326 5 40 DGBB Cc1cc([N+](=O)[O-])sc1N(C)Cc1ccc2c(c1)OCO2 58378249 NZEFSWZSLPBYDC-UHFFFAOYSA-N 306.343 3.330 5 40 DGBB Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c2c1C 5203286 OMCKJCSOWLBITQ-UHFFFAOYSA-N 302.311 3.442 5 40 DGBB CC1CCN(c2ccc(C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 6910269 OLHIKHDOWGSBRT-UHFFFAOYSA-N 317.389 3.067 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 7405667 QPPHRFJSVQHMGU-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB CC[C@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 72304162 FTXBPMZRSFJLFB-NWDGAFQWSA-N 303.362 3.352 5 40 DGBB C[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 3187581 CXRJOBMNJDOQCA-ZETCQYMHSA-N 323.399 3.490 5 40 DGBB Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-] 102957193 BIZXMRGKBNBOEZ-JLNYLFASSA-N 302.374 3.458 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(Cl)c1 12901880 XNAUNHANXPNWNQ-JTQLQIEISA-N 310.737 3.104 5 40 DGBB Cc1ccc(Nc2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])cc1 4305883 UGSXBAROTHMBRT-UHFFFAOYSA-N 316.365 3.087 5 40 DGBB CC1CCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)CC1 4981233 QARGJUPFCWKBKI-UHFFFAOYSA-N 316.317 3.288 5 40 DGBB C[C@@]12CO[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]32C 101691854 KSTMBVIMPFZXMJ-AHBIMHKDSA-N 316.357 3.129 5 40 DGBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NC[C@H](C)O 19530858 BJMUAUKEMDQALQ-LBPRGKRZSA-N 324.380 3.357 5 40 DGBB Cc1c(CNc2ccc(F)cc2OCCO)cccc1[N+](=O)[O-] 96427470 BXVXAWZMYFETPT-UHFFFAOYSA-N 320.320 3.026 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([N+](=O)[O-])c1 6277886 WRECFTWYFIBWBU-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB CC1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 20238353 PPYYOIREIKXKJM-UHFFFAOYSA-N 308.403 3.087 5 40 DGBB Oc1nc(O)c2nc3c4ccccc4c4ccccc4c3nc2n1 6494054 BKGOEQARIFRUQI-UHFFFAOYSA-N 314.304 3.291 5 40 DGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1O 8705404 CAZJSZQIYXZGAM-UHFFFAOYSA-N 320.732 3.226 5 40 DGBB CC(C)Oc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 13647504 MAAJRTBETNXACD-UHFFFAOYSA-N 314.341 3.312 5 40 DGBB CCCC[C@@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 13938897 DQWAURUGAFVKTQ-GFCCVEGCSA-N 314.407 3.090 5 40 DGBB COc1cc(NCc2cc(C(C)C)no2)c(F)cc1[N+](=O)[O-] 97032681 SICOTIBBYZIIHN-UHFFFAOYSA-N 309.297 3.466 5 40 DGBB Cn1cncc1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 97373074 TVXZWCRPCFUTDB-UHFFFAOYSA-N 314.267 3.002 5 40 DGBB Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 36636269 PQVPFQQJKGHXFS-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 3850346 PWHFUEJGCVMOCY-SNVBAGLBSA-N 315.285 3.245 5 40 DGBB biogenic CCOc1cc(CNc2ccncc2[N+](=O)[O-])ccc1OC 79311294 ARPQKKIJAHDEEJ-UHFFFAOYSA-N 303.318 3.009 5 40 DGBB Cc1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 70462319 FPDNHXQTDVMTKE-UHFFFAOYSA-N 304.253 3.191 5 40 DGBB Cc1ccc(C)c(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1 223976049 IPZKUDQPCVNVEW-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CC[C@@](C)(NC(=O)c1ccccc1[N+](=O)[O-])c1nccs1 96416629 MSCYLPSYLYSIBC-CQSZACIVSA-N 305.359 3.107 5 40 DGBB CC(C)c1ccc(-c2nn3cnc4ccccc4c3nc2=O)cc1 58047008 MBBKCKSCFDAHID-UHFFFAOYSA-N 316.364 3.428 5 40 DGBB COc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 5510840 QEFKKKZLTGWSIH-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB CC(=O)c1ccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)cc1 101620471 LJINAQGFKNXZLI-OBGWFSINSA-N 324.292 3.482 5 40 DGBB Cc1ccc(OCc2nc3ccccc3s2)c([N+](=O)[O-])n1 3396199 FFUNSOQCSKFVEP-UHFFFAOYSA-N 301.327 3.487 5 40 DGBB CC[C@@H](CO)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 28915913 MPMDIHXXVITVMI-AWEZNQCLSA-N 314.341 3.009 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 5107761 AHPCZVLRFVKXGG-JTQLQIEISA-N 304.277 3.140 5 40 DGBB COc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C)cn1 95416657 MZORENXOUMAMMC-GFCCVEGCSA-N 301.346 3.158 5 40 DGBB Cc1c(C=O)c2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1 216959817 ILNQCIYBKIMBAF-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB Cc1nc(NC(=O)[C@H]2CSc3ccccc32)ccc1[N+](=O)[O-] 96475316 UTKLGJSLQVBKPD-NSHDSACASA-N 315.354 3.126 5 40 DGBB Cn1c(-c2ccccc2)cnc1NC(=O)c1cccc([N+](=O)[O-])c1 819492 CSEBMDAAPZFPDZ-UHFFFAOYSA-N 322.324 3.248 5 40 DGBB Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 3131567 YKPIPLPXUUKVML-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB COc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102999175 ONPHOBAWYXLNFV-HKUMRIAESA-N 318.373 3.158 5 40 DGBB C[C@@H](C(=O)NCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 390835698 VHEFBQRWJGNGQQ-GFCCVEGCSA-N 316.332 3.196 5 40 DGBB O=[N+]([O-])c1cccnc1Nc1cccc(OC[C@@H]2CCCO2)c1 32776850 CIZGHYXNKPOUIF-AWEZNQCLSA-N 315.329 3.291 5 40 DGBB C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 7977592 HWOGYKXUYPQYFZ-SECBINFHSA-N 304.277 3.234 5 40 DGBB CCOC(=O)c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 58154784 AZGMDHHZCZQFMA-NSHDSACASA-N 315.329 3.340 5 40 DGBB O=C(Nc1cc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl 58223609 QLHHUZLKWPQQIY-UHFFFAOYSA-N 306.709 3.101 5 40 DGBB Cc1ccc(-c2nn3c(C(C)(C)C)nnc3s2)cc1[N+](=O)[O-] 12843563 UZNDZJHOYLMJFD-UHFFFAOYSA-N 317.374 3.367 5 40 DGBB CC(C)CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 71908112 VBBOSBDOKZJFNJ-UHFFFAOYSA-N 301.346 3.337 5 40 DGBB Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 81346557 VQZBCOXOHMJVLX-JTQLQIEISA-N 322.342 3.020 5 40 DGBB CC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 96416622 PEUHPULHNFSYTA-HNNXBMFYSA-N 319.386 3.415 5 40 DGBB O=C(O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 241648 BWPFHRFTQDLAEL-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB CC(C)(CNC1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 1709758 GCEOPRPMHYKQDW-UHFFFAOYSA-N 320.389 3.453 5 40 DGBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1O 3887618 NLUWKKNOXIRINM-AWEZNQCLSA-N 312.325 3.291 5 40 DGBB C[C@@H]1COc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 72532035 OZMCKLIRVHUTGG-SECBINFHSA-N 304.327 3.084 5 40 DGBB COc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] 96501360 SRXLFRKVXFVSOI-DGCLKSJQSA-N 319.361 3.400 5 40 DGBB Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 96007643 JRDFABVTGDQNNL-UHFFFAOYSA-N 315.207 3.162 5 40 DGBB Cn1sc2cc([N+](=O)[O-])cc(Oc3ccccc3)c2c1=O 52875 IPHVDTBFEZIDOQ-UHFFFAOYSA-N 302.311 3.301 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 2625281 MGRONRQAOBGYDY-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)C)nc12 3200977 DFBSMXHLDCZZDJ-UHFFFAOYSA-N 309.347 3.198 5 40 DGBB Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 3444470 JOTFWLHFBLPWEW-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 48340444 LHOOJMSYJCXHEC-UHFFFAOYSA-N 315.377 3.075 5 40 DGBB Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 7442882 VGYAZIWXVIXGOD-HZSPNIEDSA-N 320.389 3.223 5 40 DGBB CN(C(=O)[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 95973863 YHPMQZWMCZTMPI-HNNXBMFYSA-N 312.325 3.124 5 40 DGBB O=[N+]([O-])c1cccc(-c2n[nH]c(COc3ccc(F)cc3)n2)c1 40169563 LQDFHJOJVWQMDO-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 5662905 XZCIHQGTUSVMJG-GFCCVEGCSA-N 305.359 3.309 5 40 DGBB O=C(O)[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15443715 SNQXBGASHVBPGQ-JTQLQIEISA-N 318.251 3.057 5 40 DGBB COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]ccc3c2)c1 72281730 CTZSOHZGFOWVRS-UHFFFAOYSA-N 311.297 3.337 5 40 DGBB O[C@H]1[C@H](O)c2cc3ccc4cccc5ccc(c2[C@@H]2O[C@@H]21)c3c45 2001190 DQEPMTIXHXSFOR-FUMNGEBKSA-N 302.329 3.432 5 40 DGBB biogenic,in-vitro Cc1c(C(=O)NCc2ccccc2Cl)cccc1[N+](=O)[O-] 5724486 CHMINQSPTOJLGS-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F 31662328 RWSFTLFPTDCNHK-UHFFFAOYSA-N 303.293 3.398 5 40 DGBB CC1(NCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 1710470 OFWDOOCNCZSVET-UHFFFAOYSA-N 306.362 3.064 5 40 DGBB O=[N+]([O-])c1ccccc1CCNc1ncnc2cccc(F)c12 78454412 ASVYCFRCUQJFNB-UHFFFAOYSA-N 312.304 3.332 5 40 DGBB CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1 409181796 FBAWFRWOJRRUSB-UHFFFAOYSA-N 318.354 3.459 5 40 DGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)c1 12860065 OEEFSUIUDZZCNF-UHFFFAOYSA-N 323.308 3.138 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2ccco2)n1 31708848 SBIQDEHNBOMKEL-UHFFFAOYSA-N 321.676 3.470 5 40 DGBB O=[N+]([O-])c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 5032164 VGBCCNFCHMCLCY-UHFFFAOYSA-N 323.337 3.428 5 40 DGBB CC(C)c1ccccc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 12527928 PBYNHFOEVYDHKZ-UHFFFAOYSA-N 313.357 3.429 5 40 DGBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(C)c2)n1 5047930 NEHWNGHVVBLVOM-JTQLQIEISA-N 316.365 3.229 5 40 DGBB O=[N+]([O-])c1cnn(Cc2csc(Nc3ccccc3)n2)c1 75528003 KLJWQHCARBLPOS-UHFFFAOYSA-N 301.331 3.040 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(F)cc1 15410547 IXNICNYHBNXTKI-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 3058146 NLHNCWCBUNPZGP-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB C[C@]1(C(=O)O)CCC[C@@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@H]12 17185265 HYWTWHWYNWLRLS-XIRDDKMYSA-N 319.357 3.395 5 40 DGBB COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1OC 73640112 ZHKPEUFSTUDRQM-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB CN(Cc1csc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 96441577 ZALNNFKMCZMHEV-CQSZACIVSA-N 306.387 3.212 5 40 DGBB CCc1ccc(C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])cc1 20982118 HYCPZPFELYISIR-LLVKDONJSA-N 300.314 3.202 5 40 DGBB CC1(C)CCN(C(=O)C(F)(F)F)c2ccc([N+](=O)[O-])cc21 328578579 PJISDTNBTCIRQY-UHFFFAOYSA-N 302.252 3.171 5 40 DGBB O=[N+]([O-])c1ccc(SNc2ccc(O)cc2)cc1[N+](=O)[O-] 5125050 JOESZCVFIBSVJR-UHFFFAOYSA-N 307.287 3.328 5 40 DGBB COc1ccccc1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 18076130 WGECNVNSSCVAJL-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB CCCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5456946 MRMUPNBJPQJUKW-SECBINFHSA-N 305.290 3.049 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccccc1 3536844 IMDNOSYHIUSZKB-NSHDSACASA-N 315.329 3.043 5 40 DGBB CNc1nc(CNc2ccc3ncccc3c2[N+](=O)[O-])cs1 76061308 UNQWYOKGPAGZME-UHFFFAOYSA-N 315.358 3.253 5 40 DGBB Cc1cc(NCc2ccncc2)nc(-c2cccc([N+](=O)[O-])c2)n1 95416426 KSGUTVSKBVRRKG-UHFFFAOYSA-N 321.340 3.367 5 40 DGBB O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1[C@@H]1C[C@H]2CC[C@H]1C2 101142056 PJGLHLDSXDQZDA-WYURAEBNSA-N 318.398 3.357 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(C[C@@H]2CCCO2)c1 48260837 SACPMQLISCPFGK-LBPRGKRZSA-N 322.752 3.367 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1 9338542 LRVJZEMNUGEMQI-UHFFFAOYSA-N 307.256 3.167 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1 97380032 WPYZVISWMQQSOY-LBPRGKRZSA-N 314.345 3.489 5 40 DGBB C[C@H]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 178713 ILOOTNORNYOVEY-MAUKXSAKSA-N 317.433 3.291 5 40 DGBB C[N+]12CCC(CC1)[C@H]([C@@](O)(c1ccccc1)c1cccs1)C2 204028 RTYCBSXJHMCRFB-ADYZQAKGSA-N 314.474 3.470 5 40 DGBB Nc1nc(N)c2nc3c4ccccc4c4ccccc4c3nc2n1 1728902 MKPYEIIASNCWAT-UHFFFAOYSA-N 312.336 3.044 5 40 DGBB CCOc1ccc(C(=O)N(C)Cc2ccsc2)cc1[N+](=O)[O-] 24384776 ROYOGUOAKILGLO-UHFFFAOYSA-N 320.370 3.327 5 40 DGBB CN(Cc1ccc(F)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 5704621 JKMFRQGMVOQIPM-JXMROGBWSA-N 314.316 3.406 5 40 DGBB O=C(NCCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 6988787 FRXKCNIDNKZKEL-UHFFFAOYSA-N 306.362 3.064 5 40 DGBB C[C@H]1c2ccsc2CCN1C(=O)c1cccc([N+](=O)[O-])c1 7829296 BHZBNRMMVLWJLJ-JTQLQIEISA-N 302.355 3.416 5 40 DGBB COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nc(C)cs1 72663068 XOWZYKAICBWYAB-UHFFFAOYSA-N 321.402 3.393 5 40 DGBB O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 95676348 MQZAHSOZWFOSGD-UHFFFAOYSA-N 304.218 3.155 5 40 DGBB C/C=C1/C[N@+]2(C)[C@@H]3C[C@@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 1077996670 KRTATNOTKFNEFT-DVXUDORYSA-N 309.433 3.169 5 40 DGBB biogenic O=C(NCCc1ccccn1)Nc1ccc([N+](=O)[O-])cc1Cl 40526348 RJEMQXVIQUAZFG-UHFFFAOYSA-N 320.736 3.007 5 40 DGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](c2ccco2)C1 95395479 WUZOIFYKNDXERN-SNVBAGLBSA-N 320.732 3.471 5 40 DGBB CC(C)CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 40063292 ZUDBGENFFNKHKJ-UHFFFAOYSA-N 305.378 3.044 5 40 DGBB Cc1ccn(-c2ccccc2CNc2cc(N)ccc2[N+](=O)[O-])n1 193479954 OTXCSLFEUMOVTO-UHFFFAOYSA-N 323.356 3.283 5 40 DGBB O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1=CCCCCC1 585140941 LWMWAYZKVXTNPQ-UHFFFAOYSA-N 310.300 3.380 5 40 DGBB Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] 11749640 BEHZNTHWCGFOQX-UHFFFAOYSA-N 310.353 3.365 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C 15967095 RACKBIDVSVZWTM-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccnc1 24975839 NIQMKBFHAIKJRI-SCOAYWHSSA-N 323.352 3.367 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2c(C)noc2C)c1 72307961 RAJRMFNNYBMCMT-UHFFFAOYSA-N 321.358 3.198 5 40 DGBB O=[N+]([O-])C[C@H](c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 205946541 IXOBHWRUYORXJV-OAHLLOKOSA-N 311.297 3.485 5 40 DGBB Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] 568779 JHGTYYOMIBQJIU-UHFFFAOYSA-N 314.385 3.458 5 40 DGBB O=C(NCc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] 12825583 GXMDRTQBUSNJRZ-UHFFFAOYSA-N 322.267 3.126 5 40 DGBB CCOc1cc(C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 7603961 XKZSLMBMECQJRT-UHFFFAOYSA-N 317.297 3.271 5 40 DGBB CC(=O)Nc1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 97229465 JVAZHXSCGUTOIV-UHFFFAOYSA-N 321.283 3.444 5 40 DGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999145 CRMIAKJHRMCHHN-MEWXFMAXSA-N 302.374 3.078 5 40 DGBB O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CCC[C@H]1O 95437097 RFRABLISFHDZQD-IINYFYTJSA-N 321.764 3.369 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1 78406575 SXGRBQFCTVRJIA-UHFFFAOYSA-N 304.253 3.191 5 40 DGBB CC(C)OCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 43331634 WTHCLYJKTUWOPO-UHFFFAOYSA-N 315.757 3.185 5 40 DGBB CNc1nc(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 96319144 LMEJPUSTMCOKGG-UHFFFAOYSA-N 311.750 3.286 5 40 DGBB O=[N+]([O-])C[C@H](c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 1016388 GMHRZYJJJUFVKQ-CQSZACIVSA-N 310.309 3.305 5 40 DGBB COc1c(C)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 9141794 VZQOKTSQWGDBQE-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB COc1ccc([C@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1F 193463749 DZPJHLTULQIMOO-VIFPVBQESA-N 305.309 3.498 5 40 DGBB COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)c1 40169732 QYFQLAAXCCHAGH-UHFFFAOYSA-N 310.313 3.364 5 40 DGBB Nc1cnccc1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 199712612 OWMRUAPQMRYIKP-UHFFFAOYSA-N 309.281 3.063 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 5510838 QEFKKKZLTGWSIH-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB O=[N+]([O-])C[C@H](c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1 17820015 IBGHHMAKPMJOSH-IYBDPMFKSA-N 300.314 3.107 5 40 DGBB C[C@@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1 162693 CSBRGCIERQWWEN-UZLBHIALSA-N 312.433 3.404 5 40 DGBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 52360218 LZWXLINOZZCFRR-JTQLQIEISA-N 312.329 3.048 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCCc1ccccn1 4773551 UUTVSUNHHYJYRU-UHFFFAOYSA-N 321.720 3.434 5 40 DGBB CCOc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1 6870582 WNDOCTZDEOUJOY-UHFFFAOYSA-N 315.373 3.195 5 40 DGBB COc1c(C(=O)NC2CCCC2)cc(C(C)C)cc1[N+](=O)[O-] 72206621 GFVDMGZABGHCLE-UHFFFAOYSA-N 306.362 3.399 5 40 DGBB Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] 40095671 HGCOWPPIBPBDHK-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc([N+](=O)[O-])o1 30482260 HYRYMQWVJMRFHA-UHFFFAOYSA-N 318.373 3.476 5 40 DGBB O=[N+]([O-])c1cc2c(cc1CNc1ccc(F)cc1F)OCO2 41153 GXBDQQXDRYXCMP-UHFFFAOYSA-N 308.240 3.214 5 40 DGBB C[C@H](Cc1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 89904274 BBALYYIMXSDQLN-SNVBAGLBSA-N 320.370 3.065 5 40 DGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999152 CRMIAKJHRMCHHN-XKVFNRALSA-N 302.374 3.078 5 40 DGBB CC(C)(C)c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 2332459 ZTGSTWMDLYDNQN-UHFFFAOYSA-N 303.347 3.059 5 40 DGBB Cc1nc(N[C@@H](C)[C@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] 95966047 JHZFXFZQMKMUMK-VFZGTOFNSA-N 323.299 3.110 5 40 DGBB CCOc1cccc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] 95941107 NRABHQIXWFIFRR-UHFFFAOYSA-N 305.378 3.032 5 40 DGBB CC[N+](C)(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 36631475 XOEAHQSQGDPACU-SFHVURJKSA-N 300.422 3.190 5 40 DGBB C[C@H](OC(=O)c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 5721775 MIWQHOAVAMOTDI-JTQLQIEISA-N 315.281 3.211 5 40 DGBB Cc1nn(C)c(NCC2(c3ccccc3)CCC2)c1[N+](=O)[O-] 51593341 BFBUPLJEOJQFBK-UHFFFAOYSA-N 300.362 3.171 5 40 DGBB O=C1c2ccccc2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 244162 JDUJLDJILCVVGX-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 69562003 NAJBELZPHIHQJU-UHFFFAOYSA-N 322.405 3.383 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 29750841 ZPMPYOUVFXSMQU-STQMWFEESA-N 320.389 3.380 5 40 DGBB CCOC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 216767912 BZPDMOJGHNKTNX-VXGBXAGGSA-N 306.362 3.254 5 40 DGBB C[C@H](NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1716537 NIKAAGXDMYYIBH-ZDUSSCGKSA-N 314.341 3.102 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1c(C)n[nH]c1C 95944421 TWZMRUIOTVKVMB-UHFFFAOYSA-N 303.322 3.196 5 40 DGBB Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 13672975 RJQZMZVOEKHJQD-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CN(CCOc1cccc(Cl)c1)c1ncccc1[N+](=O)[O-] 15141710 PKVSOIWIRZCNQF-UHFFFAOYSA-N 307.737 3.158 5 40 DGBB CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 48290887 CLIWEMBNZOXISC-UHFFFAOYSA-N 323.368 3.009 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 95406123 SUPIJCZAAAPKOP-LBPRGKRZSA-N 314.345 3.239 5 40 DGBB CC(C)(Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] 96761850 RSJFIPHBTWYOSJ-UHFFFAOYSA-N 312.369 3.275 5 40 DGBB CCOc1cccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 96466838 IKGKKEAQMGAAPC-UHFFFAOYSA-N 319.292 3.088 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])OCc1ccccc1 11310700 KIRIYUAYDNFHEN-UHFFFAOYSA-N 300.314 3.140 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cn1 226827 PKZVGSJRDUKRCM-FPYGCLRLSA-N 303.705 3.295 5 40 DGBB Cc1c(Cl)cccc1NC(=O)CNc1ncccc1[N+](=O)[O-] 20669337 JXFPVRMACBVHGF-UHFFFAOYSA-N 320.736 3.002 5 40 DGBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CC(=O)O 4934484 IUMLLEASXPQRCK-UHFFFAOYSA-N 305.337 3.439 5 40 DGBB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 3253294 QYPUPJGAFIUEEM-LLVKDONJSA-N 320.345 3.045 5 40 DGBB O=C(c1cccc2[nH]ccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 88349607 IELFWVPJXBLMTQ-UHFFFAOYSA-N 321.336 3.275 5 40 DGBB CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1[N+](=O)[O-] 96453914 IANHLYJQJVYRFM-QFIPXVFZSA-N 322.361 3.108 5 40 DGBB Nc1ncnc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 4059609 PBBMRWMLDHRDLY-UHFFFAOYSA-N 301.089 3.066 5 40 DGBB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 5866326 OJKGHGVTFXTJPM-GFCCVEGCSA-N 300.314 3.309 5 40 DGBB C[C@H](Sc1ncnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 89905363 LKUSMOKCJBTHEW-VIFPVBQESA-N 315.358 3.125 5 40 DGBB Cc1cccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224764263 BCPDLRGKEQVOSJ-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=[N+]([O-])c1cccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)c1 101079466 OFEBIQCKJGENBA-MRXNPFEDSA-N 319.324 3.242 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCCCCC2)c1 40767750 PJYVDNDIPVQGLV-UHFFFAOYSA-N 311.813 3.214 5 40 DGBB CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 27635924 WSGIYQBGOLEMBV-ZDUSSCGKSA-N 302.330 3.357 5 40 DGBB Cc1cccc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4742751 FTESXVDXFNWPQL-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB Cc1ccc([C@@](C)(O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)o1 187958148 SGDCNXHZSFUANN-HNNXBMFYSA-N 324.764 3.147 5 40 DGBB Cc1cccc([N+](=O)[O-])c1C(=O)NCCCc1cccc(F)c1 194662049 IQTRUBZUQQIHPW-UHFFFAOYSA-N 316.332 3.405 5 40 DGBB CC1=CC[C@@]2(CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C 675029622 CGZFSJOCVJBAJU-KRWDZBQOSA-N 314.341 3.221 5 40 DGBB CCN(CC)c1cc(N(CC)CC)c([N+](=O)[O-])cc1[N+](=O)[O-] 5261329 LJTUWCXWAKPJAE-UHFFFAOYSA-N 310.354 3.195 5 40 DGBB C[C@@H]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 178719 ILOOTNORNYOVEY-QAPCUYQASA-N 317.433 3.291 5 40 DGBB Cc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1 3292493 YCDYRHDCVUAHDE-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 9226654 HQXTYUZWLSXISG-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB O=C(NC1CC1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923081 FFDXQJTYGZVSME-SFQUDFHCSA-N 308.337 3.414 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccncc1 97380033 WPYZVISWMQQSOY-GFCCVEGCSA-N 314.345 3.489 5 40 DGBB Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])s1 96413910 UOKZOKSCZKBYIV-SNVBAGLBSA-N 304.371 3.326 5 40 DGBB CCCCN(CCCC)c1c([N+](=O)[O-])c(=O)nc2ccccn12 5723318 ZTZVCEXSDXCNBU-UHFFFAOYSA-N 318.377 3.009 5 40 DGBB O=c1oc2cc([N+](=O)[O-])ccc2n1CNc1ccccc1Cl 208103 KBQYNASGDCBWSE-UHFFFAOYSA-N 319.704 3.226 5 40 DGBB O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1 1615815 LOTQSBWCBSTXRZ-KBPBESRZSA-N 302.374 3.290 5 40 DGBB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 106541543 YMSBRJGKVQVWEU-PWNZVWSESA-N 302.374 3.078 5 40 DGBB CC[C@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 72304160 FTXBPMZRSFJLFB-VXGBXAGGSA-N 303.362 3.352 5 40 DGBB CC(=O)N(C)c1ccccc1NCc1cccc([N+](=O)[O-])c1C 96427553 LQYVQZJJKYHNKB-UHFFFAOYSA-N 313.357 3.498 5 40 DGBB O=C(C[C@H](SCCO)c1ccc([N+](=O)[O-])cc1)c1ccco1 2637956 OFMNVGMMQFXGPK-HNNXBMFYSA-N 321.354 3.227 5 40 DGBB O=C(COc1ccccc1)Oc1ccc(Cl)cc1[N+](=O)[O-] 4070779 VSBFQMZLYHTKNQ-UHFFFAOYSA-N 307.689 3.233 5 40 DGBB O=C(O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4016698 SECFLCIZZKNDGO-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc2c(c1)nnn2CNc1ccc([N+](=O)[O-])c(Cl)c1 4015198 VBHISMVCZNVQNY-UHFFFAOYSA-N 317.736 3.371 5 40 DGBB CC(C)(C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6515458 ZBEIZLIPMXYKQZ-UHFFFAOYSA-N 305.378 3.113 5 40 DGBB CCOc1cccc(N2CCC(n3ccnc3)CC2)c1[N+](=O)[O-] 97108533 JRAYXWOEUXITFU-UHFFFAOYSA-N 316.361 3.032 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3C2)c(F)c1 32923327 XCYLNXHESPZTMZ-NSHDSACASA-N 302.305 3.397 5 40 DGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1[C@@H]1C[C@H]2CC[C@H]1C2 105312540 ASXTUVFJHPBHEQ-FNNPODNZSA-N 318.398 3.357 5 40 DGBB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 25106150 HGEQRSXMBJKEPK-SNVBAGLBSA-N 304.302 3.030 5 40 DGBB O=C(NC(=S)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 408732404 QWHCGSYNWIEFDZ-UHFFFAOYSA-N 301.327 3.092 5 40 DGBB CC(C)C[C@@H](C)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 225572164 UCWHUAYIQFLYIW-SECBINFHSA-N 317.183 3.201 5 40 DGBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 236664 VUQBLNOVXLNPAI-UHFFFAOYSA-N 318.329 3.233 5 40 DGBB C[C@@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 8193954 IMHJTFAIHBNLDD-LLVKDONJSA-N 317.320 3.023 5 40 DGBB C[C@H](Cc1cccs1)Nc1ncc([N+](=O)[O-])c(NC2CC2)n1 25574845 ITXKAJAHGDGKKF-SECBINFHSA-N 319.390 3.064 5 40 DGBB COCC(=O)Nc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 40060984 ZYGPJLGDHLWPBS-UHFFFAOYSA-N 319.292 3.062 5 40 DGBB O=[N+]([O-])c1cc(CSc2nnc3n2CCCCC3)cs1 48620072 AYMZNUPYPAUIEF-UHFFFAOYSA-N 310.404 3.267 5 40 DGBB Cc1nc(NC(=O)C2CC2)sc1Cc1ccc([N+](=O)[O-])cc1 36639369 WEEDRUHVSPMWLW-UHFFFAOYSA-N 317.370 3.299 5 40 DGBB CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](C(=O)[C@H](CO)c1ccccc1)C2 263583935 FPHNWKCKNIVGKU-TWHPPBISSA-N 316.465 3.128 5 40 DGBB in-vitro O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 52969 YTYUJYLXKGZIHE-UHFFFAOYSA-N 321.336 3.275 5 40 DGBB biogenic Cc1nn(C)c(/C=C/Nc2cc(Cl)ccc2O)c1[N+](=O)[O-] 100271634 OJHWFPBWVQNXIA-AATRIKPKSA-N 308.725 3.079 5 40 DGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@H]2CC[C@H]1C2 104144254 ASXTUVFJHPBHEQ-KHJVZFFJSA-N 318.398 3.357 5 40 DGBB CC(=O)N(C)c1ccccc1NCc1csc([N+](=O)[O-])c1 76061814 ZKGLNHDWSFQDFL-UHFFFAOYSA-N 305.359 3.251 5 40 DGBB CCOC(=O)Nc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1-2 22345839 KUMBAAOAYDRNFB-UHFFFAOYSA-N 312.281 3.375 5 40 DGBB O=[N+]([O-])c1cccc(-c2nc(CCNc3ccccc3)n[nH]2)c1 62719429 WNIIYZRSTJSMJL-UHFFFAOYSA-N 309.329 3.035 5 40 DGBB CCOC(=O)c1nc(Nc2ccccc2[N+](=O)[O-])sc1C 604941578 KCDSWSKTFOLEOE-UHFFFAOYSA-N 307.331 3.280 5 40 DGBB CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@H](C)CC2 100635344 BVMTXCBOKLIHDI-SNVBAGLBSA-N 322.364 3.424 5 40 DGBB biogenic CN(Cc1ccco1)C(=O)CCCNc1ccccc1[N+](=O)[O-] 32747543 VQFYCICYTAAOHV-UHFFFAOYSA-N 317.345 3.039 5 40 DGBB Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1[N+](=O)[O-] 4156639 FMGFUUJQRYTNNN-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB Cc1c([N+](=O)[O-])c(C)c2c(=O)cc(C(F)F)oc2c1[N+](=O)[O-] 1309131 QFDPCJHUNBIJNT-UHFFFAOYSA-N 314.200 3.164 5 40 DGBB Cc1ccc(O[C@H](C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 7463853 VHEMZXGHBWMXST-CYBMUJFWSA-N 320.389 3.367 5 40 DGBB C[n+]1c2ccccc2n2c(C[N+]3(C)CCCCC3)csc21 495445 SKUVAMFWJGBXCZ-UHFFFAOYSA-N 301.459 3.109 5 40 DGBB Cc1ccc([C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 90578512 UXGPXIJWGLYJGQ-NEPJUHHUSA-N 308.378 3.284 5 40 DGBB O=[N+]([O-])c1c(SC[C@H](O)c2ccccc2)nc2ccccn12 52427102 VPVNGQLSIICYOJ-LBPRGKRZSA-N 315.354 3.068 5 40 DGBB C[C@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccccc1[N+](=O)[O-] 26350534 VWMNFVUZYKKIOQ-LLVKDONJSA-N 318.377 3.468 5 40 DGBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 5025413 FJNCVXDXOHNGKD-QMMMGPOBSA-N 320.328 3.060 5 40 DGBB CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4611107 KJVOASZQQVTWEN-UHFFFAOYSA-N 315.285 3.318 5 40 DGBB O=[N+]([O-])c1ccc(N(C[C@H]2CCOC2)C2CC2)c2ccncc12 97145543 VTHMGSPNJOFPIT-GFCCVEGCSA-N 313.357 3.148 5 40 DGBB Cc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1 213013503 GCEXBLLGDZYAGH-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB COc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 226291845 ZHSRSYYNHGKUJX-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 331105 LFSKMFJVFZFXBE-UHFFFAOYSA-N 318.304 3.368 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)NCCC2=CCCCC2)c1 21614540 CYYHPIYQBJOOTQ-UHFFFAOYSA-N 318.373 3.289 5 40 DGBB Cc1csc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 6879059 AVCHTQOUPJKUJJ-UHFFFAOYSA-N 309.372 3.091 5 40 DGBB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 6931771 IWRUOEPKPLOEDA-SNVBAGLBSA-N 304.277 3.140 5 40 DGBB O=C(Nc1cccnc1)c1cccc2nc3ccccc3nc12 5332301 RQXLRXAPPVOZAA-UHFFFAOYSA-N 300.321 3.430 5 40 DGBB CSc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-] 9314053 XUJAGSYAGQPRPF-UHFFFAOYSA-N 303.343 3.272 5 40 DGBB O=[N+]([O-])c1cccc(CS(=O)(=O)c2ccc3c(c2)CCC3)c1 151696588 UTKXBKHNPXEWAM-UHFFFAOYSA-N 317.366 3.057 5 40 DGBB O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)nc2ccccn12 29162611 BQYBODKFXGWGDE-UHFFFAOYSA-N 321.340 3.378 5 40 DGBB O=C1Nc2ccccc2[C@@H]1CCNc1ccc(F)cc1[N+](=O)[O-] 103101329 HFEWCMRDFWEQFM-LBPRGKRZSA-N 315.304 3.272 5 40 DGBB COc1ccc(OC)c(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 216868225 JFDLHOSYYPCAKR-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1 27685 RKVLTVCHYJZUNE-YRNVUSSQSA-N 318.672 3.186 5 40 DGBB Cc1noc(C)c1COC(=O)c1cc([N+](=O)[O-])ccc1Cl 2659019 XATNJIYNYFAUAD-UHFFFAOYSA-N 310.693 3.210 5 40 DGBB Cc1ccc2cc(CNc3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 4126220 XEIYSVLZPIHUOE-UHFFFAOYSA-N 309.325 3.357 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3C2)c(F)c1 32923324 XCYLNXHESPZTMZ-LLVKDONJSA-N 302.305 3.397 5 40 DGBB CCCC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 50497490 CBULKMGXPVPBBC-UHFFFAOYSA-N 316.361 3.089 5 40 DGBB O=C(NCc1ccco1)c1cc2cc([N+](=O)[O-])ccc2s1 9154685 PLNZHMREVITISB-UHFFFAOYSA-N 302.311 3.333 5 40 DGBB C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 97080085 GFJHBZVNWHAZRB-SNVBAGLBSA-N 316.313 3.259 5 40 DGBB Cc1cc(NCc2csc([N+](=O)[O-])c2)ccc1C(=O)N(C)C 78903886 SISCUBVGYLNVTN-UHFFFAOYSA-N 319.386 3.279 5 40 DGBB C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccccc1[N+](=O)[O-] 95435163 MTAWJDSDNQPGQA-JTQLQIEISA-N 318.354 3.048 5 40 DGBB Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 332854 LKADXNWGWRQFMH-XNTDXEJSSA-N 308.293 3.248 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 23694062 OMHCEEIRCQRUAS-OAHLLOKOSA-N 311.385 3.478 5 40 DGBB O=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2cc(Cl)ccc21 48619431 MVOMIQXLYQUAGO-LLVKDONJSA-N 309.734 3.164 5 40 DGBB O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc2cccnc12 89807994 ZMWGFSLZIHJKRO-UHFFFAOYSA-N 321.336 3.002 5 40 DGBB COc1ccc([N+](=O)[O-])c(C(=O)N(C2CCCC2)C2CC2)c1 67545308 NMAGIFCDLCODRK-UHFFFAOYSA-N 304.346 3.151 5 40 DGBB CCc1ccc(NC(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] 95405888 GWKXTCKXVIXMJH-UHFFFAOYSA-N 320.374 3.278 5 40 DGBB Cc1cc(C)cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1 160344742 AEGJTQZMLLTNKL-UHFFFAOYSA-N 317.370 3.337 5 40 DGBB COc1ccc(NC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 8335540 GZKVVINPJLJSTB-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCC(OC[C@H]2CCCCO2)CC1 79021952 BSVHCEDOIHPBNZ-OAHLLOKOSA-N 320.389 3.149 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH]c2ccccc12 48309094 FWWNNMUVTFXRNS-UHFFFAOYSA-N 323.352 3.277 5 40 DGBB Cc1ccc(C(=O)COC(=O)c2cccs2)cc1[N+](=O)[O-] 7533511 XJSCBNWBBDCCHR-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB Cc1ccc(C)c(OCC(=O)OCc2ccccc2[N+](=O)[O-])c1 24143603 VVNHJRRTAIXKOD-UHFFFAOYSA-N 315.325 3.334 5 40 DGBB CCOC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 216767951 BZPDMOJGHNKTNX-RYUDHWBXSA-N 306.362 3.254 5 40 DGBB CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C 58162590 VHNYNJYPRGXGRI-UHFFFAOYSA-N 322.408 3.412 5 40 DGBB CCCNC(=O)Nc1cccc(Oc2ccncc2[N+](=O)[O-])c1 69813091 LGGWMUNHRQERSY-UHFFFAOYSA-N 316.317 3.314 5 40 DGBB O=C(CSCc1ccccc1)Nc1ccccc1[N+](=O)[O-] 4836605 KWKNFXLWFBCSQY-UHFFFAOYSA-N 302.355 3.467 5 40 DGBB Cc1ccc([C@](C)(O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)o1 187958126 SGDCNXHZSFUANN-OAHLLOKOSA-N 324.764 3.147 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224764574 HNZIJOXFBXAUEO-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1 224053954 BMBULKKOPODJMG-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB COc1ccc(NC(C)=O)c(NCc2ccccc2[N+](=O)[O-])c1 96446937 DSFWEKPVGWPQOI-UHFFFAOYSA-N 315.329 3.174 5 40 DGBB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1C 40114724 OSHGPOJUTLYKSU-AAEUAGOBSA-N 317.370 3.031 5 40 DGBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 4962466 DULNYMNWPPXKON-UHFFFAOYSA-N 311.219 3.261 5 40 DGBB O=C(Nc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 32905911 HMSNKMOJSLHEET-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB CCCO[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 78671098 CHNWLSRCBUMYIY-OAHLLOKOSA-N 306.362 3.016 5 40 DGBB CCCC(C)(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 50497056 QXZUQYSWVYSQLU-UHFFFAOYSA-N 316.361 3.089 5 40 DGBB Cc1cc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)s1 301913244 HNGDPNWVXNYRCD-SECBINFHSA-N 317.374 3.489 5 40 DGBB COc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] 96501359 SRXLFRKVXFVSOI-AAEUAGOBSA-N 319.361 3.400 5 40 DGBB CCc1nnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 96501869 PYGHXSMOZFBSHJ-UHFFFAOYSA-N 317.223 3.138 5 40 DGBB O=C(c1ccccc1)c1nc(Br)sc1[N+](=O)[O-] 98086478 WAUOFPQGNAFJQB-UHFFFAOYSA-N 313.132 3.045 5 40 DGBB C[C@@H](NC(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccco1 32747588 KWAKJOSATMUFAT-GFCCVEGCSA-N 317.345 3.257 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1NCn1nnc2ccccc21 4565361 CNBFSFOCZDPJPV-UHFFFAOYSA-N 303.709 3.063 5 40 DGBB Cc1c(C(=O)Nc2ccc(-c3nnco3)cc2)cccc1[N+](=O)[O-] 58364716 HEXIFENICZEKOE-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(F)c1 7413815 BSJQQQLFTWKALL-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB O=[N+]([O-])c1ccc(N[C@H](CO)Cc2ccccc2)c2ncccc12 78411498 KICIBFQWPIHBIY-AWEZNQCLSA-N 323.352 3.159 5 40 DGBB COc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5966731 DVKDMGPAQBOEGB-UHFFFAOYSA-N 301.298 3.003 5 40 DGBB CCOc1cccc(N(C)Cc2c(C)noc2C)c1[N+](=O)[O-] 97108523 CMGCZIHISFLESD-UHFFFAOYSA-N 305.334 3.235 5 40 DGBB O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3151017 RIMYOJMMCDHDMO-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 67943 LBAIGGSVFJQRSO-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 483236 YARZAEFPGMHYPL-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB Cc1ncc2c(n1)CCC[C@@H]2Nc1ncc([N+](=O)[O-])cc1Cl 95398946 RDMQHTHHNCPRKP-ZDUSSCGKSA-N 319.752 3.231 5 40 DGBB Cc1cc(C(=O)Nc2ccc([C@H](C)O)cc2)ccc1[N+](=O)[O-] 226273741 ZPBBAPLORNVBAE-NSHDSACASA-N 300.314 3.209 5 40 DGBB CC(C)OC(=O)N1CCC(C)(Nc2ccccc2[N+](=O)[O-])CC1 390822683 GUSSMJSCKNIOGD-UHFFFAOYSA-N 321.377 3.406 5 40 DGBB Cc1ccccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 373668 VORBCLBOXSBICS-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB CCCc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 3900600 HXMODSHFJMPJIQ-UHFFFAOYSA-N 307.335 3.043 5 40 DGBB COc1ccccc1[C@H](C)Sc1c([N+](=O)[O-])c(C)nn1C 96429792 WDPLGYKAGNNYHC-JTQLQIEISA-N 307.375 3.499 5 40 DGBB Cc1nn(C)c(N(C)Cc2csc3ccccc23)c1[N+](=O)[O-] 52241570 VXMGSDHVQXZWPU-UHFFFAOYSA-N 316.386 3.488 5 40 DGBB Cc1ccc(-c2nonc2NC(=O)c2ccccc2[N+](=O)[O-])cc1 8916000 UKGLCSKZHDILDX-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB Cc1ccccc1[C@H](C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 71916459 BYZBZLXGYGGKAC-JTQLQIEISA-N 319.748 3.443 5 40 DGBB COc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 19164780 IMVKXXIKBKQSGY-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB Cc1cc(C)cc(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3316871 XJNPBIPKTVZPHD-UHFFFAOYSA-N 315.325 3.334 5 40 DGBB CC(=O)N(C)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 96429048 AFBIESKXJIDMGD-UHFFFAOYSA-N 300.314 3.157 5 40 DGBB Cc1ccc(NC(=O)N(C)Cc2c(C)noc2C)cc1[N+](=O)[O-] 43147302 UWCIEUNARMKCHY-UHFFFAOYSA-N 318.333 3.172 5 40 DGBB COc1cccc(CNC(=S)c2cccc([N+](=O)[O-])c2)c1 408575408 USEJTQUNRGHBKT-UHFFFAOYSA-N 302.355 3.069 5 40 DGBB CC(=O)c1ccc(N2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 276045495 PXKGBFIJNDYINV-KRWDZBQOSA-N 318.373 3.193 5 40 DGBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 146928 WBVMOEYCRUSIGM-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB Cc1cc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 6626827 RYUSGKQFVFJUFX-UHFFFAOYSA-N 309.325 3.497 5 40 DGBB Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2o1 24927700 KGNAMUDWEXJRDG-UHFFFAOYSA-N 313.269 3.002 5 40 DGBB C[C@@H](c1ccco1)N(C(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 97080953 SMWAYDTWSSUZCM-JTQLQIEISA-N 316.317 3.340 5 40 DGBB Cc1cccc([N+](=O)[O-])c1N1CCC(c2ccnn2C)CC1 95957279 LRTVZJWGPBLIDM-UHFFFAOYSA-N 300.362 3.021 5 40 DGBB Cc1nn(C)c(N[C@@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] 79887249 RZLMNDQUEIOSDL-LLVKDONJSA-N 322.365 3.425 5 40 DGBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 224673215 JUNIUQAWOLXXTB-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CCCCSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C 5008313 JJJFIILLAMTBHZ-UHFFFAOYSA-N 322.390 3.195 5 40 DGBB Cc1cccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c[nH]c12 507704 UVOHHOQQTBSVEK-UHFFFAOYSA-N 323.352 3.357 5 40 DGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 108924904 CRMIAKJHRMCHHN-AOLWHUPESA-N 302.374 3.078 5 40 DGBB O=C(C[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)c1ccccc1 1686754 AXLJDGFVXAWIRM-AWEZNQCLSA-N 313.309 3.049 5 40 DGBB C[C@@H]1Cc2ccccc2N1c1ncc([N+](=O)[O-])c(NC2CC2)n1 32824967 CDWHISYRADEKRL-SNVBAGLBSA-N 311.345 3.042 5 40 DGBB Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 483037 SLIBOITYFJMTBY-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 34872630 PGKPREMYGPZIKE-AWEZNQCLSA-N 320.370 3.489 5 40 DGBB CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C 12741635 NKMSPQVYBQQJTR-HNNXBMFYSA-N 322.409 3.083 5 40 DGBB COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 193398479 FKVNVIBGNUNFBO-UKTHLTGXSA-N 310.309 3.120 5 40 DGBB CCOC(=O)N(C)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 53583760 FGTIOCAJDWNLMC-UHFFFAOYSA-N 316.317 3.326 5 40 DGBB COCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 25308404 IELURPYOYUFSPD-UHFFFAOYSA-N 320.370 3.041 5 40 DGBB CCc1ccc(OCc2nnc(SC)s2)c([N+](=O)[O-])c1 71908702 FLGYPAAWKRQTCE-UHFFFAOYSA-N 311.388 3.310 5 40 DGBB COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-] 6342702 XTDQLJLVZTUGAL-UHFFFAOYSA-N 314.297 3.058 5 40 DGBB Cc1cc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 4138063 VATJQZFILHMIIW-UHFFFAOYSA-N 309.325 3.315 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 4520095 XJMWFVSZQMKZIL-GUTXKFCHSA-N 320.414 3.133 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2ccccc2n1 21887549 JIDHRNQHNFLLQB-UHFFFAOYSA-N 308.297 3.099 5 40 DGBB COCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 25334978 OTRNVVOCRSJFGL-UHFFFAOYSA-N 300.314 3.302 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 14309248 WVULSWHSSGMZOI-GFCCVEGCSA-N 323.356 3.250 5 40 DGBB O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccs1 253509 GRMVEFCMZGNFGF-UHFFFAOYSA-N 316.294 3.015 5 40 DGBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 8054711 CMOLYHYQFBHNDJ-UHFFFAOYSA-N 317.257 3.018 5 40 DGBB O=[N+]([O-])c1cc(Br)cnc1Sc1ccncc1 94614646 XFEMGRYSBYONGW-UHFFFAOYSA-N 312.148 3.299 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1 8562317 CQHYZVAFHSJCMV-CHWSQXEVSA-N 314.341 3.240 5 40 DGBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c(C)c1 160141588 BZJXNJOEKPZNDP-UHFFFAOYSA-N 317.370 3.337 5 40 DGBB CC(C)C(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 12534347 JLFCABZDEVIBHG-UHFFFAOYSA-N 300.318 3.328 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 32814559 UGQXZAYHERTEHS-CQSZACIVSA-N 313.313 3.240 5 40 DGBB CCC(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 13228341 VNYDDYFZODGNOM-UHFFFAOYSA-N 303.343 3.490 5 40 DGBB O=c1c2cnc3c4cccnc4ccc3c2[nH]n1-c1ccccc1 13283845 KYTIQURQIHJJCC-UHFFFAOYSA-N 312.332 3.415 5 40 DGBB Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1Cl 64093 JKPGDXKNVGDKIO-UHFFFAOYSA-N 316.700 3.357 5 40 DGBB Cc1ccccc1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O 353792 BBHWOMQJUFQLFQ-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB CCCc1nnc2sc(-c3ccc(C)c([N+](=O)[O-])c3)nn12 8392224 RWAQSVURYNEPCJ-UHFFFAOYSA-N 303.347 3.022 5 40 DGBB COc1ccc(C)c2c1N(C(=O)c1ccc([N+](=O)[O-])o1)CCC2 67844118 JHVNTXPFXZVXHR-UHFFFAOYSA-N 316.313 3.098 5 40 DGBB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O 89540994 DYFYQZFFFGDEQR-MDZLAQPJSA-N 322.361 3.223 5 40 DGBB CCc1nnc([C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 95978776 AQRICYNSLKEAJP-VIFPVBQESA-N 324.768 3.387 5 40 DGBB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/Cc2ccccc2)cc1 9614861 CRZASWWGAKAABW-UUILKARUSA-N 303.339 3.125 5 40 DGBB O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)cn1 78671388 YEGNQUOZDFVEOW-UHFFFAOYSA-N 318.280 3.120 5 40 DGBB Cc1nn([C@@H](C)c2nnc(-c3ccccc3)o2)c(C)c1[N+](=O)[O-] 75092385 YIYRXWDOJUMELU-NSHDSACASA-N 313.317 3.067 5 40 DGBB O=C(O)c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 351861 BHAHLSPNJZCAAQ-UHFFFAOYSA-N 311.253 3.010 5 40 DGBB COc1cc([N+](=O)[O-])c(OC)cc1Nc1ccccc1C(=O)O 5487637 QADUZECEOOQGOE-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 230511 IBWAQFKQUBJAAB-UHFFFAOYSA-N 320.308 3.304 5 40 DGBB O=C(Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])s1 1510395 KKRLIRXGTBKFHI-UHFFFAOYSA-N 309.372 3.244 5 40 DGBB CCOc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 10294206 XZZLIUUQJVNOIB-UHFFFAOYSA-N 300.314 3.175 5 40 DGBB COc1cc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)ccc1F 95973864 VKKAWEIAELBUAY-UHFFFAOYSA-N 304.277 3.019 5 40 DGBB O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(F)cc3)n[nH]2)c1 40174569 ZSZUZNQHOYNTQD-UHFFFAOYSA-N 313.292 3.131 5 40 DGBB Cc1ccc(/N=c2\nc(O)c3cc([N+](=O)[O-])ccc3s2)cc1 13552775 VAKARYBYDOHDKH-UHFFFAOYSA-N 313.338 3.451 5 40 DGBB Cc1ccc([C@H](C)N[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 90451561 UXGPXIJWGLYJGQ-NWDGAFQWSA-N 308.378 3.284 5 40 DGBB O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc([N+](=O)[O-])c1 58157726 TYNXWSRQYCMJPZ-UHFFFAOYSA-N 308.297 3.237 5 40 DGBB CCOc1cccc(N2CCC(n3cccn3)CC2)c1[N+](=O)[O-] 96503039 GHZMCXRIMNQGLE-UHFFFAOYSA-N 316.361 3.032 5 40 DGBB O=[N+]([O-])c1ccc(Nc2cccc(OC[C@@H]3CCCO3)c2)nc1 40062924 CVHIKCIVYWMWOB-HNNXBMFYSA-N 315.329 3.291 5 40 DGBB CNC(=O)c1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 53549037 GDGHDJJHPUQVIQ-UHFFFAOYSA-N 312.325 3.235 5 40 DGBB NC(=O)c1cccc(CSCc2ccccc2[N+](=O)[O-])c1 72275813 JDKLIFICTRZAJU-UHFFFAOYSA-N 302.355 3.127 5 40 DGBB CCOC(=O)c1ccoc1CNc1ccc(F)c([N+](=O)[O-])c1 9516692 CLTYJRBTROTFQN-UHFFFAOYSA-N 308.265 3.116 5 40 DGBB Cc1c(C(=O)N2CCSc3ncccc32)cccc1[N+](=O)[O-] 75146549 GZMBWDGQYSEVDC-UHFFFAOYSA-N 315.354 3.051 5 40 DGBB Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 32643132 IOTLCDNEHLRSOB-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 50293448 FWLXDAHHAORCKS-VIFPVBQESA-N 317.370 3.247 5 40 DGBB CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 115664 FPFFFRRSVNTLHK-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB C[C@@H](C[N+](C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1 379365 FMQQCVOCWNPYPL-INIZCTEOSA-N 312.433 3.456 5 40 DGBB CC(C)n1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 61683412 XHUVTBOEEWWJTN-UHFFFAOYSA-N 308.725 3.278 5 40 DGBB CS(=O)(=O)c1ccccc1SCc1ccccc1[N+](=O)[O-] 96410904 ULYFSBPFHCHKLR-UHFFFAOYSA-N 323.395 3.291 5 40 DGBB COc1ccccc1COC(=O)c1cccc(C)c1[N+](=O)[O-] 5228120 OLGXFUWNWQLRME-UHFFFAOYSA-N 301.298 3.269 5 40 DGBB CC(C)(C)C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 21596391 USBMORCNRPAWAS-UHFFFAOYSA-N 315.782 3.107 5 40 DGBB C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCC2 225560463 OOTCRJIWYBQWJT-SECBINFHSA-N 321.768 3.349 5 40 DGBB CCCCN1C(=O)C(C)=C(C)[C@H]1Nc1ccccc1[N+](=O)[O-] 199404011 MILWGYGYHQCNOE-HNNXBMFYSA-N 303.362 3.312 5 40 DGBB COC(=O)c1ccc(-n2cncc2-c2ccc([N+](=O)[O-])cc2)cc1 585293922 BTZFMRBIYONNTE-UHFFFAOYSA-N 323.308 3.234 5 40 DGBB O=C(Nc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])s1 71214805 TWCTWYYFRIJABI-UHFFFAOYSA-N 303.343 3.267 5 40 DGBB Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 5638119 NURZMZYTAUTDDL-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=[N+]([O-])c1ccc(O)cc1CN1CCS[C@H]2CCCC[C@@H]21 93689883 LVNVKKGPPGKLRY-GJZGRUSLSA-N 308.403 3.160 5 40 DGBB O=[N+]([O-])c1ccccc1N(Cc1cccnc1)C[C@H]1CCCO1 89814077 ARNNQCOYNAPAND-OAHLLOKOSA-N 313.357 3.175 5 40 DGBB O=C(O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 13094520 PDFOHKOEKHTLOB-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 4472928 YLDZSPWGWMHEOL-ZROIWOOFSA-N 308.293 3.248 5 40 DGBB Cn1cnc([N+](=O)[O-])c1N1CCC(=Cc2cccc(F)c2)CC1 40135323 AOJJITMVTIMNNL-UHFFFAOYSA-N 316.336 3.151 5 40 DGBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 72328738 RXNOFYGDSDORQK-UHFFFAOYSA-N 314.345 3.001 5 40 DGBB COc1cc(N)c(OCc2ncc(C(C)(C)C)o2)cc1[N+](=O)[O-] 95426080 QHDNJMNKDOIFOJ-UHFFFAOYSA-N 321.333 3.050 5 40 DGBB COc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1 31546779 JEJVAAGRBPCAIV-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2ccccc2)CC1 49980422 JSKJAVZPTLRZSZ-UHFFFAOYSA-N 315.348 3.056 5 40 DGBB COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 13972014 QVFHKAFTWLOGRH-UHFFFAOYSA-N 300.314 3.093 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 24975830 NIQMKBFHAIKJRI-ZNFPLGDCSA-N 323.352 3.367 5 40 DGBB Cc1cc(N2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] 58158544 LZMQRLBKIODTPF-UHFFFAOYSA-N 318.402 3.076 5 40 DGBB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc([N+](=O)[O-])cc1 5452289 OAWXVULOCYDABD-ACCUITESSA-N 319.320 3.249 5 40 DGBB COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 23603337 WGTQCQFDONBVSM-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB O=C(CCc1ccc(F)c(F)c1)Nc1cccc([N+](=O)[O-])c1 32816251 VFOUZYJGKFXLIN-UHFFFAOYSA-N 306.268 3.444 5 40 DGBB CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCc2ccccc21 29147944 BYJPBWHSSCVCRL-LBPRGKRZSA-N 314.370 3.428 5 40 DGBB CCOC(=O)COc1cc(C)c2c(c1)oc(=O)c1ccccc12 101185 MUDVZUHASCEVLB-UHFFFAOYSA-N 312.321 3.197 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1 29526871 QDYRXBFKUWFQLI-INIZCTEOSA-N 312.373 3.239 5 40 DGBB O=C(OCCCCNC1CCCCC1)c1ccc([N+](=O)[O-])cc1 1710493 KTZSYKUQYHPVSY-UHFFFAOYSA-N 320.389 3.454 5 40 DGBB Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 5537104 YUAJOQIJZUKRRL-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 8403407 NPQUEXSKFQUIJA-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB C[C@H]1COc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 72532036 OZMCKLIRVHUTGG-VIFPVBQESA-N 304.327 3.084 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2ccccc2n1 79548569 VFTQDPGMPQKVCL-UHFFFAOYSA-N 308.297 3.099 5 40 DGBB O=C(COc1cccnc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 5970794 KUUCONHTBGYWEF-UHFFFAOYSA-N 316.357 3.154 5 40 DGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCCC1 4031911 ZFFAWJGVDWLYCL-NCXUSEDFSA-N 312.518 3.455 5 40 DGBB biogenic CN(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1F 29588165 KYYQFBQOJMJXTL-UHFFFAOYSA-N 300.293 3.247 5 40 DGBB CCOC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1 6385677 HFKACMRSMAREGH-HNNXBMFYSA-N 306.362 3.075 5 40 DGBB CCOc1c(/C=C\c2onc(C)c2[N+](=O)[O-])cccc1OC 408545508 ZJNVCKMZJLCWPL-HJWRWDBZSA-N 304.302 3.469 5 40 DGBB Cc1c(C(=O)NCC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] 8726492 ABBZIPFWUHMLOG-UHFFFAOYSA-N 310.353 3.365 5 40 DGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2o1 96005858 GQEDOYMRDAECFX-MRVPVSSYSA-N 302.242 3.247 5 40 DGBB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 408849439 YNUPNNHTNGTTEA-XNTDXEJSSA-N 308.293 3.134 5 40 DGBB CC(=O)c1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 33406589 KFVBAXDIZQKMOR-MDZDMXLPSA-N 310.309 3.449 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4348036 MFHCFZJLUKVPMD-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=[N+]([O-])c1ccc(NCCN2CCCCC2)c2ncccc12 40119605 BOOHUCPWCPDZPZ-UHFFFAOYSA-N 300.362 3.041 5 40 DGBB O=[N+]([O-])c1ccc(-c2cc(-n3cnc4ccccc43)[nH]n2)cc1 5572561 AXCASVULPDKNJH-UHFFFAOYSA-N 305.297 3.324 5 40 DGBB COc1cc(CNc2ccc([N+](=O)[O-])cn2)ccc1OC(C)C 40087066 HHJZEBOGFMWZOS-UHFFFAOYSA-N 317.345 3.398 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCc1ccccc1 2774237 DCRICRMVIUOEDJ-UHFFFAOYSA-N 312.369 3.276 5 40 DGBB COC[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 84147822 JFLCTXVFXBNOSP-CYBMUJFWSA-N 321.377 3.102 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nnc(NC3CC3)s2)cc1 7577300 WRYXMKCREFQSSF-UHFFFAOYSA-N 308.388 3.313 5 40 DGBB CCc1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 8587114 QATFLEBHADGWCJ-UHFFFAOYSA-N 302.334 3.198 5 40 DGBB O=[N+]([O-])c1ccc([C@H]2O[C@@H]3C[C@@H]4[C@@H]5CCC[C@@H]5[C@@H]3[C@@H]4O2)cc1 104077848 OMRABCPWSAHSLM-PZLJCXPPSA-N 301.342 3.443 5 40 DGBB CCn1/c(=N\C(=O)C(C)(C)C)sc2cc([N+](=O)[O-])ccc21 12180868 IFZMHVIZFJVAKS-FYWRMAATSA-N 307.375 3.104 5 40 DGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCC(C)CC2)c2ccccc21 4264106 ZJTDUGXANJCHPU-UHFFFAOYSA-N 315.373 3.166 5 40 DGBB biogenic,in-vitro CNc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] 6908225 IMWXBUFOBNDUFM-VQHVLOKHSA-N 322.324 3.043 5 40 DGBB C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 50293449 FWLXDAHHAORCKS-SECBINFHSA-N 317.370 3.247 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cncn2)c1 75091869 XSTUVKCCEBTIMH-LBPRGKRZSA-N 309.329 3.349 5 40 DGBB Cc1nn(CCCC(=O)NC2CCCCCC2)c(C)c1[N+](=O)[O-] 4593344 OOYGSOVCRQXCQX-UHFFFAOYSA-N 322.409 3.027 5 40 DGBB O=[N+]([O-])c1ccc(F)c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 102315331 GWNXLZMRKOZCSZ-HOTUBEGUSA-N 309.366 3.209 5 40 DGBB CC(C)(C)[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 72286530 NMNKMXPHXCKQDB-CYBMUJFWSA-N 315.377 3.036 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1 14322335 ARXYIHAQXLCIEJ-UHFFFAOYSA-N 306.303 3.186 5 40 DGBB Cc1cccnc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9322573 RQWYGGBTMATMOS-UHFFFAOYSA-N 312.329 3.125 5 40 DGBB COc1ccc2c(Cl)c([N+](=O)[O-])c(Cl)nc2c1OC 95098239 CMCWJMJFQPIWAT-UHFFFAOYSA-N 303.101 3.467 5 40 DGBB O=Cc1c(Sc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2186005 SXFQDAJMHUWUKU-UHFFFAOYSA-N 304.283 3.467 5 40 DGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1Cl 16089589 XSSJOUMWWSBEKI-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB O=[N+]([O-])c1ccc(C2(S(=O)(=O)c3ccccc3)CC2)cc1 116147 WSDXHXJGXJAOPI-UHFFFAOYSA-N 303.339 3.058 5 40 DGBB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2=O 468501 LDXZVWDUTCKNAD-IAGOWNOFSA-N 316.357 3.319 5 40 DGBB Cc1ccc(F)c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1 409183911 WGFNHWPTSYTFRM-UHFFFAOYSA-N 321.333 3.168 5 40 DGBB CNc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 14361377 WTCDPEWKMFWJCK-UKTHLTGXSA-N 309.325 3.154 5 40 DGBB CC(=O)c1ccc(N(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 75138120 SRCXLIUOPKIOBG-UHFFFAOYSA-N 311.341 3.361 5 40 DGBB C[C@@H](Sc1ncnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 89905365 LKUSMOKCJBTHEW-SECBINFHSA-N 315.358 3.125 5 40 DGBB O=C(O[C@@H]1C=C[C@H]2C=C[C@@H]3C=C[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 71785733 VYMDTEMQEMYLDP-NKMGPIEYSA-N 309.321 3.294 5 40 DGBB Cc1ccc(CN(C)C(=O)Nc2ccncc2[N+](=O)[O-])s1 96500680 GIAOIALNZVYFGB-UHFFFAOYSA-N 306.347 3.024 5 40 DGBB CCOc1ccc(NC(=O)c2cccc(OC)c2)c([N+](=O)[O-])c1 3898519 STWYUDZKJVLJSH-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB CCn1c(=O)c([N+](=O)[O-])c(NCc2ccco2)c2ccccc21 5556923 RJVXGJXZHGXNKL-UHFFFAOYSA-N 313.313 3.135 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC1CCCCC1 5335118 ZCYKJSAXYSYZEZ-UHFFFAOYSA-N 309.391 3.223 5 40 DGBB CCO[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 5422623 HIYLMWVOASNISZ-MRXNPFEDSA-N 300.314 3.252 5 40 DGBB Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccc(F)cc1 17241996 LVGIQBOUODRSSW-UHFFFAOYSA-N 314.114 3.050 5 40 DGBB Cc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)o1 4587869 RFLHSQIWKQPUTI-JYRVWZFOSA-N 312.281 3.149 5 40 DGBB CCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 159736112 YTRHLAHYXYZERB-UHFFFAOYSA-N 317.370 3.283 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccsc1 7926969 KGUXTNLXKDFRDN-UHFFFAOYSA-N 319.386 3.035 5 40 DGBB Cc1cnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 9339170 RYXXNEKMVVWHKF-UHFFFAOYSA-N 318.358 3.186 5 40 DGBB Cc1csc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 84086299 HNKZBICWDSAYCJ-UHFFFAOYSA-N 310.306 3.164 5 40 DGBB CCNCc1ccccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 95971535 JMIWRZKWNVQBPS-UHFFFAOYSA-N 313.357 3.265 5 40 DGBB O=C(c1ccc(Cl)o1)N1CCCc2c1cccc2[N+](=O)[O-] 95436696 NKGJRLWONASFIM-UHFFFAOYSA-N 306.705 3.434 5 40 DGBB O=[N+]([O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 5191161 AZQDTYORHRPFMY-UHFFFAOYSA-N 303.705 3.475 5 40 DGBB Cc1cc(NC(=O)c2ccco2)nc2c1c(=O)oc1ccccc12 428480 ZWRORPCICSKFHG-UHFFFAOYSA-N 320.304 3.495 5 40 DGBB CCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)on1 9114186 MQAYTGQPPNSYES-CYBMUJFWSA-N 319.317 3.077 5 40 DGBB CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 69558116 AXVDGEHJWIMBIP-LBPRGKRZSA-N 317.345 3.481 5 40 DGBB CCOc1c(Br)cc(/C=C(\C)[N+](=O)[O-])cc1OC 1585894 WMDGAAGZPCMZKE-VMPITWQZSA-N 316.151 3.494 5 40 DGBB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc([N+](=O)[O-])c1 7829295 BHZBNRMMVLWJLJ-SNVBAGLBSA-N 302.355 3.416 5 40 DGBB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 2616650 WKMQHYZKULFPJS-FZMZJTMJSA-N 308.403 3.382 5 40 DGBB O=c1c2ccccc2nc2n1CC/C2=C\c1ccc([N+](=O)[O-])cc1 4023032 RBNFRLBSNHVGFY-ACCUITESSA-N 319.320 3.249 5 40 DGBB biogenic Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] 4276473 ITAYSBACGCHAIG-LLVKDONJSA-N 318.304 3.448 5 40 DGBB C[C@@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 5860462 DWBHKPRKGUWKCX-SNVBAGLBSA-N 311.769 3.061 5 40 DGBB Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] 7777010 VJHCOJIARXARME-SMDDNHRTSA-N 305.378 3.010 5 40 DGBB CC(C)c1ccoc1C(=O)NCCc1cccc([N+](=O)[O-])c1 285545921 IFBRQECMZLWDNH-UHFFFAOYSA-N 302.330 3.284 5 40 DGBB CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 134356075 OBTNYUKFTYNIEJ-SECBINFHSA-N 316.810 3.462 5 40 DGBB Cc1ccc(C)c(N(c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 5119195 JGQNNLHXTZCTAA-UHFFFAOYSA-N 320.370 3.309 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C 14398087 FGMAQFPSZXCXMN-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB CCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 10812510 DZNQFFCJEMDVGU-UHFFFAOYSA-N 314.341 3.347 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCC1CCNCC1 42774251 NSLSFSPHMAIELK-UHFFFAOYSA-N 318.295 3.382 5 40 DGBB C[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 24216924 JOSUCFVZONXTQW-SECBINFHSA-N 323.349 3.085 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 1903950 WHLHYPJABCQWBD-BQYQJAHWSA-N 313.269 3.155 5 40 DGBB O=C(Cc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 6384151 RGSURXHGFIBHGI-UHFFFAOYSA-N 310.309 3.362 5 40 DGBB Cc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 16212100 VLODDECTLAOXBU-LOWVWBTDSA-N 305.403 3.378 5 40 DGBB CC(C)c1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)cc1 1428879 UFCWGRMIQNZIBE-LLVKDONJSA-N 302.334 3.114 5 40 DGBB O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1Cl 3882688 LZXSTDXUOATWQS-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB COc1ccc(C)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 7133891 AKRDTCZZGILIJN-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB CSc1ccc(C(=O)Nc2ccccc2O)cc1[N+](=O)[O-] 9478211 BXTHLECJKIZGEJ-UHFFFAOYSA-N 304.327 3.275 5 40 DGBB CC(C)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1728604 OVGNWSVTKOHRBM-UHFFFAOYSA-N 321.354 3.486 5 40 DGBB biogenic O=[N+]([O-])c1ccc2c(c1)C(F)(F)O[C@](F)(C(F)(F)F)O2 91252478 IEXPAKCUULBXMM-VIFPVBQESA-N 303.114 3.239 5 40 DGBB COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 483572 VAJRQYUMJVJKNC-UHFFFAOYSA-N 320.326 3.004 5 40 DGBB O=C(O)c1ccc2oc3ccc(Br)cc3c(=O)c2c1 62710517 NNQLQGPSLAATKJ-UHFFFAOYSA-N 319.110 3.407 5 40 DGBB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224742212 BEUYFNKKQHBQRV-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 40119627 VOHSTUGOHMELSS-MRVPVSSYSA-N 316.292 3.077 5 40 DGBB C[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 23674112 QRCMMKXUUPZZIG-HNNXBMFYSA-N 311.385 3.478 5 40 DGBB CC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 83862098 OFLGTXSYSOWTLI-UHFFFAOYSA-N 312.325 3.070 5 40 DGBB CN(Cc1cc2ccccc2o1)C(=O)c1ccc([N+](=O)[O-])o1 89350852 SNFMNLOUHUTCEO-UHFFFAOYSA-N 300.270 3.206 5 40 DGBB CCc1cnc(CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)s1 252483320 DYZSGUIEJSRURP-UHFFFAOYSA-N 319.386 3.471 5 40 DGBB COc1ccc(NC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] 96008064 QWULOWGAVGOOFX-UHFFFAOYSA-N 315.329 3.267 5 40 DGBB Cc1ccc(OCC(=O)c2cc(C)sc2C)c([N+](=O)[O-])n1 5259842 XPZKEJCCAAQSPW-UHFFFAOYSA-N 306.343 3.238 5 40 DGBB O=CNc1cc(Br)cc2c1[nH]c(=O)c1ccccc12 16954081 WPSKZLKVQRTWDD-UHFFFAOYSA-N 317.142 3.012 5 40 DGBB COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1cc(C)on1 27883737 ZGBMDIFOMHXGPW-HNNXBMFYSA-N 317.345 3.237 5 40 DGBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 5025358 AMSGRRWUAWJZRZ-QMMMGPOBSA-N 320.328 3.060 5 40 DGBB CN1CCN(c2ccc([N+](=O)[O-])c3cc(C(C)(C)C)[nH]c23)CC1 19735970 BCHWSKUMCHMHDY-UHFFFAOYSA-N 316.405 3.125 5 40 DGBB O=C1Nc2ccc([N+](=O)[O-])cc2[C@H]1c1cc(Cl)ccc1O 100215779 HIWWLYCHQBQLNU-ZDUSSCGKSA-N 304.689 3.038 5 40 DGBB CCC(C)(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 1005745 ORVJNLHVHJVTNR-UHFFFAOYSA-N 320.374 3.386 5 40 DGBB CC(C)c1nccn1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 97053397 VASHKXYHHUCYLA-UHFFFAOYSA-N 322.752 3.207 5 40 DGBB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 18008710 FIXCOIFLZJZSJU-UHFFFAOYSA-N 319.748 3.103 5 40 DGBB CC(C)c1ccc(CNC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] 71793375 NIFRBKNKPUORRW-UHFFFAOYSA-N 317.433 3.435 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1F 14898472 BQDKWZBXKQFFJG-UHFFFAOYSA-N 303.293 3.175 5 40 DGBB O=[N+]([O-])c1cc(F)c(NCc2nccn2C(F)F)c(F)c1 121697313 YVGYDRSASPWFHV-UHFFFAOYSA-N 304.203 3.077 5 40 DGBB Cc1c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] 89540487 DBWHHTWIZLRHMX-HNNXBMFYSA-N 322.405 3.359 5 40 DGBB O=[N+]([O-])c1ccc(N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1 91505170 KVEQHLYEFCZXBT-CYBMUJFWSA-N 312.247 3.158 5 40 DGBB C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 65567434 MBDDNCHSSDNBGV-SSDOTTSWSA-N 311.750 3.196 5 40 DGBB Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 8778628 HYGGTHBZNLSQGG-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB O=C1OC(c2ccco2)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 4812785 MWPNIZKOHUXVIA-YFHOEESVSA-N 318.672 3.186 5 40 DGBB COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8119828 CFFXFKKFYBSBEJ-UHFFFAOYSA-N 318.241 3.082 5 40 DGBB CSc1ccccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O 97080628 RLYVHHRTPJTDGK-UHFFFAOYSA-N 310.762 3.180 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2cccn2)c1 75062965 IHJMAYICQPYFOH-LBPRGKRZSA-N 309.329 3.349 5 40 DGBB CCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 33337026 DSOBAQPVFHAKRU-UXBLZVDNSA-N 312.734 3.304 5 40 DGBB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 24664845 CPFXXJNGFXBOEE-UHFFFAOYSA-N 318.760 3.449 5 40 DGBB Cc1c(CN2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] 80959126 JVHCBOAMCFPFCP-AWEZNQCLSA-N 300.362 3.006 5 40 DGBB Cc1cc(O)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 330826 AZNGOAOMFJLNAZ-UHFFFAOYSA-N 300.314 3.478 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NCc1nccn1CC(F)(F)F 76061756 QLJZAFZOGWTQGX-UHFFFAOYSA-N 314.267 3.274 5 40 DGBB COc1cc2c(cc1OC)C(c1ccccc1[N+](=O)[O-])=NCC2 1578205 KLENIIUOGVFSIW-UHFFFAOYSA-N 312.325 3.006 5 40 DGBB Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 2061325 ZYLNQPFWMVHSFQ-UHFFFAOYSA-N 300.270 3.351 5 40 DGBB Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 3563948 XFFWVKVCPLTCKQ-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB C[C@@]1(C(=O)O)CCC[C@@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12 4127821 HYWTWHWYNWLRLS-HYVNUMGLSA-N 319.357 3.395 5 40 DGBB Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 67086368 OBQODAVCJXABLW-ZDUSSCGKSA-N 314.341 3.101 5 40 DGBB CC[N+](C)(CC)C[C@H](O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 226072524 VVKLZZCUENYXJG-WNRNVDISSA-N 300.507 3.311 5 40 DGBB C[N+]1(CCc2ccccc2)CC[N+](C)(CCc2ccccc2)CC1 1577553 QHMWFKFYBLBRER-UHFFFAOYSA-N 324.512 3.379 5 40 DGBB Ic1ccc2c[n+]3ccccc3cc2c1 1713649 VYOWSFDLICIOQG-UHFFFAOYSA-N 306.126 3.183 5 40 DGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1[C@@H]1C[C@@H]2CC[C@@H]1C2 100832886 ASXTUVFJHPBHEQ-MMYVAXCBSA-N 318.398 3.357 5 40 DGBB COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1cc(C)on1 27883730 ZGBMDIFOMHXGPW-OAHLLOKOSA-N 317.345 3.237 5 40 DGBB COc1ccc(C(C)=O)cc1COc1ccc(C)nc1[N+](=O)[O-] 4891785 YEJOLXCQRMEEKU-UHFFFAOYSA-N 316.313 3.088 5 40 DGBB O=[N+]([O-])c1ccc(-c2cnn(CCO[C@@H]3CCCCO3)c2)cc1 225664097 RIVWZTZQOMVDQW-MRXNPFEDSA-N 317.345 3.002 5 40 DGBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1cccs1 195576694 IDHBWWKJFNVRCF-UHFFFAOYSA-N 315.397 3.211 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 252497123 PZOVRYCREDHHBS-UHFFFAOYSA-N 312.325 3.466 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)nnn2Cc1cccc(C(F)(F)F)c1 5568559 ZCDCHAFELIIXMX-UHFFFAOYSA-N 322.246 3.407 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 5635529 DJOHAUOEHMCMAR-UHFFFAOYSA-N 315.310 3.321 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1OCc1nc(-c2ccco2)no1 42180391 ZVJHWPVRQCPNKV-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB Cc1cc(C)c(O)c(C(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1 101459138 SHKVMPHQZSYHPL-UHFFFAOYSA-N 313.309 3.373 5 40 DGBB COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 108972536 SJBUONYTVONQKH-KTKRTIGZSA-N 313.309 3.470 5 40 DGBB COc1ccc(CNC(=S)c2cccc([N+](=O)[O-])c2)cc1 408572290 IKQBPVRQUOIICI-UHFFFAOYSA-N 302.355 3.069 5 40 DGBB O=[N+]([O-])c1cc(Br)cnc1OCc1ccccc1 42388926 MMNAEFZPFOIVGP-UHFFFAOYSA-N 309.119 3.331 5 40 DGBB COc1ccccc1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12 247633268 CFJFXNJXCPLJIB-KNBMTAEXSA-N 318.437 3.261 5 40 DGBB biogenic,in-vitro O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1667261 MJNHSMCHYCVNAZ-NTEUORMPSA-N 314.253 3.128 5 40 DGBB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1[N+](=O)[O-] 31536560 ISIHUCQWSKDBOK-UHFFFAOYSA-N 308.297 3.237 5 40 DGBB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 5107684 KMSQVJVBBFHHRB-GFCCVEGCSA-N 300.314 3.309 5 40 DGBB COc1ccccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6832158 SCCNRRZGVJJEPI-LLVKDONJSA-N 315.329 3.043 5 40 DGBB C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccs1 55007393 HJUMWZYDAIQNDI-NSHDSACASA-N 320.370 3.303 5 40 DGBB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 14183199 SCRXHARRPXKWJM-NXEZZACHSA-N 311.769 3.156 5 40 DGBB O=[N+]([O-])c1ccc(NCCO)c(NCCCC2CCCC2)c1 79074828 CUAHLPNZFLZUTG-UHFFFAOYSA-N 307.394 3.381 5 40 DGBB O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 4366714 HTOLGGNSOCNPBR-UHFFFAOYSA-N 302.290 3.027 5 40 DGBB C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 22744279 MDKZTTDTPDAVTA-JTQLQIEISA-N 304.277 3.140 5 40 DGBB COc1ccc([N+](=O)[O-])cc1OCc1nc(CCC(C)C)no1 60086224 GYMXBCBIEXSRMU-UHFFFAOYSA-N 321.333 3.154 5 40 DGBB O=C(NC1CCCCC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329367 NXFOMPNTKIJIHX-UHFFFAOYSA-N 314.345 3.047 5 40 DGBB Cc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(F)c(C)c2)c1 95995733 ITLASTQMMIPTFQ-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=C(O)c1ccc(COc2cc([N+](=O)[O-])cc3cccnc23)cc1 172011 GUGQNPMQHSXXBS-UHFFFAOYSA-N 324.292 3.420 5 40 DGBB O=[N+]([O-])c1c(N[C@H]2CCc3ccccc32)nc2sccn12 58378795 XTLRGUPXFIYCIY-NSHDSACASA-N 300.343 3.403 5 40 DGBB O=C(NCCCOC1CCCCC1)c1ccccc1[N+](=O)[O-] 11355798 RYEMPUWXXFHLFA-UHFFFAOYSA-N 306.362 3.064 5 40 DGBB CC(=O)c1ccc(Sc2nnc(C(C)C)n2C)c([N+](=O)[O-])c1 69418947 JZBSKWFDTMXMAB-UHFFFAOYSA-N 320.374 3.201 5 40 DGBB Cc1ccc([C@H](C)NC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] 95422947 IGUGHRHMWZZBNO-NHYWBVRUSA-N 306.387 3.349 5 40 DGBB CCCN(C)c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 199801157 PZHRBTBITUBYRE-UHFFFAOYSA-N 322.756 3.023 5 40 DGBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc12 16266490 VGOYUBXAUHANQV-UHFFFAOYSA-N 305.297 3.185 5 40 DGBB O=C(O)/C=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 2510968 QZWRXQJZVOXGPE-AATRIKPKSA-N 315.310 3.069 5 40 DGBB Cn1ccnc1Sc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 12532770 FFFDDJXTYFKUJK-UHFFFAOYSA-N 303.265 3.498 5 40 DGBB O=C(O)Cn1c2nc3ccccc3nc2c2cccc(Cl)c21 5021848 OOAAFILSBWPKAI-UHFFFAOYSA-N 311.728 3.476 5 40 DGBB O=C(Nc1nccs1)c1cccc2nc3ccccc3nc12 4833884 MGPMVWWHESOAMP-UHFFFAOYSA-N 306.350 3.492 5 40 DGBB COc1ccc(-c2ccc(C(=S)N(C)C)o2)cc1[N+](=O)[O-] 40542523 HJVADQXFOQOGMV-UHFFFAOYSA-N 306.343 3.101 5 40 DGBB CCOc1ccc(C(=O)O[C@@H]2C[C@@H]3CCC[C@H](C2)[N+]3(C)C)cc1 100745085 BHVJFWCIKURJEW-VQFNDLOPSA-N 318.437 3.402 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104868764 VXTVPCLBMPBAPQ-WFGGJUAMSA-N 320.389 3.303 5 40 DGBB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F 25425513 WFGTXGXNCSFRNY-NSHDSACASA-N 317.320 3.481 5 40 DGBB COc1cccc([C@H](CO)Nc2ccc([N+](=O)[O-])c(C)c2)c1 76063930 PTAPJEXRZDWXQD-HNNXBMFYSA-N 302.330 3.057 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2cccc(F)c21 12764391 VHNAJARCUOVOOA-UHFFFAOYSA-N 300.289 3.327 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2[C@H](C)CCC[C@H]2C)c1 24542484 ZSPAWYJVAOFTJO-CHWSQXEVSA-N 306.362 3.072 5 40 DGBB O=C(O)c1cccc2c(N3CCCCC3)ccc([N+](=O)[O-])c12 62719849 IRLOUNDXZPJEOQ-UHFFFAOYSA-N 300.314 3.437 5 40 DGBB COc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 108924887 ONPHOBAWYXLNFV-UHXUPSOCSA-N 318.373 3.158 5 40 DGBB C[C@H](NC(=O)N(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 58169374 KFEZHUCNGDLDDM-NSHDSACASA-N 303.318 3.090 5 40 DGBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 4578603 HKQPNKDAHZSFFO-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB O=[N+]([O-])c1cccc(OCc2nc(-c3ccsc3)no2)c1 25399522 MFCIKFXUELSICS-UHFFFAOYSA-N 303.299 3.285 5 40 DGBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/C=C/c1ccccc1 190812 DGEHXPJOTKMPRN-MBXCTOFRSA-N 320.304 3.496 5 40 DGBB CCOc1cccc(N2CCC[C@H](c3cn[nH]c3)C2)c1[N+](=O)[O-] 104423639 LNTRIAPWLTWDIN-LBPRGKRZSA-N 316.361 3.101 5 40 DGBB Cc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c(C)c1 5251721 FMKOTESSVSGXIS-UHFFFAOYSA-N 324.344 3.239 5 40 DGBB O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccccc2)o1 4935541 SHTYQLQTPRJTID-UHFFFAOYSA-N 300.299 3.191 5 40 DGBB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc([N+](=O)[O-])c1 212461325 WSGWFKLXFZAQHX-RIYZIHGNSA-N 312.256 3.078 5 40 DGBB O=[N+]([O-])c1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1 5574403 JTFREJQYWGWQFW-UHFFFAOYSA-N 307.420 3.341 5 40 DGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)cc1 5569785 PJKKYNOQULHYEC-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB Cc1nn(CC(=O)Nc2cccc3ccccc23)c(C)c1[N+](=O)[O-] 2632344 BWBRLJGFMBUQLB-UHFFFAOYSA-N 324.340 3.200 5 40 DGBB Cc1cc(OCC(=O)N[C@H](C)CCC(C)C)ccc1[N+](=O)[O-] 19355652 GZINMGJPYZBNKF-CYBMUJFWSA-N 308.378 3.223 5 40 DGBB O=C(CN1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 4893565 RRUYCENAAMEQTI-UHFFFAOYSA-N 311.769 3.063 5 40 DGBB COC(=O)c1cc2c(=O)c3cc(Cl)ccc3oc2nc1C 3027704 BYQVTFFQXYXOLD-UHFFFAOYSA-N 303.701 3.090 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 4289709 AFAJCQWYHASYPF-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 95406124 SUPIJCZAAAPKOP-GFCCVEGCSA-N 314.345 3.239 5 40 DGBB COc1c([N+](=O)[O-])cc(Br)c(C)c1Br 37597693 KLZMIPVNKVRDIX-UHFFFAOYSA-N 324.956 3.437 5 40 DGBB O=C(NCc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 72331456 ZPJLUAWEBVREHE-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCC2 225560496 OOTCRJIWYBQWJT-VIFPVBQESA-N 321.768 3.349 5 40 DGBB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] 9426461 AXFFNGMZLDTZAH-LLVKDONJSA-N 312.325 3.195 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C 224742768 GOSBGKRHFODIOZ-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1ccc([C@H](C)OC(=O)c2ccncc2F)cc1[N+](=O)[O-] 96460958 JHUSWVQLDCSMBB-JTQLQIEISA-N 304.277 3.355 5 40 DGBB Cn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2sccc21 4971186 FLJDKZIWROTBDS-UHFFFAOYSA-N 301.327 3.400 5 40 DGBB Nc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 1042628 DCTDPXPBRCQQCY-UHFFFAOYSA-N 322.293 3.199 5 40 DGBB C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] 4835335 SWCFIFDZJDYFOG-SNVBAGLBSA-N 303.343 3.109 5 40 DGBB COc1cccc(C(=O)Nc2ccc3ccccc3n2)c1[N+](=O)[O-] 225506003 MDPOPTLNXMSFIK-UHFFFAOYSA-N 323.308 3.404 5 40 DGBB Cc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1C 44845317 YNYZCONAYIJCEV-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB C[C@H]1Cc2ccccc2N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 28066029 AQLRQIBJCVMFBI-JTQLQIEISA-N 322.324 3.063 5 40 DGBB CCn1c2ccccc2c2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc21 47296123 BLNIJSHJJUGWEG-WMLDXEAASA-N 323.352 3.418 5 40 DGBB CCCC(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 9140817 QVCWOGIZVYTAFD-UHFFFAOYSA-N 315.782 3.170 5 40 DGBB O=[N+]([O-])c1cc(NCc2nc(-c3cccs3)no2)ccc1F 8744811 APCRRWDHKASFBI-UHFFFAOYSA-N 320.305 3.458 5 40 DGBB Cc1sc2ncnc(Oc3cccnc3[N+](=O)[O-])c2c1C 7983379 NLAWBTJOYYPPHL-UHFFFAOYSA-N 302.315 3.404 5 40 DGBB Cc1cc(NCc2nnc(C3CC3)n2C2CC2)ccc1[N+](=O)[O-] 95941773 DHYVLDFXYJTAGH-UHFFFAOYSA-N 313.361 3.319 5 40 DGBB Cc1ccc2c(c1)nnn2CNc1cc(C)c(C)cc1[N+](=O)[O-] 4015200 BSPCXEKTXKXOBZ-UHFFFAOYSA-N 311.345 3.334 5 40 DGBB CC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cnn(CC)c1 95401903 CYRDHABEKOFKRN-CQSZACIVSA-N 316.361 3.001 5 40 DGBB C[C@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1 162691 CSBRGCIERQWWEN-JXFKEZNVSA-N 312.433 3.404 5 40 DGBB Cc1cc(Cl)ccc1Oc1ccc(C(N)=O)cc1[N+](=O)[O-] 2622559 LOAWZJNCIBRQCZ-UHFFFAOYSA-N 306.705 3.448 5 40 DGBB O=C(NCc1ccncc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12534191 SCTBMNJJOVEKMH-UHFFFAOYSA-N 323.308 3.180 5 40 DGBB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C 72302476 RLQOQSJLVWSRMF-CABCVRRESA-N 314.389 3.409 5 40 DGBB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 217865349 UNQFVKQMMKXVFJ-CYBMUJFWSA-N 314.341 3.101 5 40 DGBB Cc1occc1SCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 131492919 JKUMNSLRAPKIPQ-UHFFFAOYSA-N 318.354 3.178 5 40 DGBB COc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 44900104 AQSQNROUVODFAE-GFCCVEGCSA-N 314.341 3.023 5 40 DGBB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 5539173 WPPUQHMGFVYTTC-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB CC[N+](C)(CC)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 3864465 ZTWIURWVTIHMCY-WFRNDULYSA-N 324.529 3.457 5 40 DGBB Cc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] 7777013 VJHCOJIARXARME-RISCZKNCSA-N 305.378 3.010 5 40 DGBB COc1cccc(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 7983780 OSWQQKZBADKQEU-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB CC[C@](C)(NC(=O)c1ccccc1[N+](=O)[O-])c1nccs1 96416628 MSCYLPSYLYSIBC-AWEZNQCLSA-N 305.359 3.107 5 40 DGBB COc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] 96501361 SRXLFRKVXFVSOI-WCQYABFASA-N 319.361 3.400 5 40 DGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\C=C\c1ccccc1 13925563 IQYUOTXEESUKOD-QSJINSDNSA-N 320.304 3.496 5 40 DGBB COc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 18076254 LPBGQNIALWJSTP-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB COc1ccc(COc2c(OC)cccc2OC)cc1[N+](=O)[O-] 20274613 XOTVJJZQMNPPDK-UHFFFAOYSA-N 319.313 3.200 5 40 DGBB CCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 3108206 GYERGPUFVFWDRZ-UHFFFAOYSA-N 324.387 3.119 5 40 DGBB CCc1cc2c(=O)n(Cc3csc([N+](=O)[O-])c3)cnc2s1 54451205 POEMEGWUIFYHJM-UHFFFAOYSA-N 321.383 3.038 5 40 DGBB CC1(c2ccc([N+](=O)[O-])cc2)OCC2(CO1)C[C@@H]1C=C[C@@H]2C1 100350549 XMTROAFAWPRERU-YZVGZYPPSA-N 301.342 3.397 5 40 DGBB Cc1nn(CC(=O)c2cc(C)n(C(C)C)c2C)c(C)c1[N+](=O)[O-] 8131505 QVBPVCSNCFOSII-UHFFFAOYSA-N 318.377 3.290 5 40 DGBB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)ccc1[N+](=O)[O-] 29009947 UFOXHRJUWVPBEB-UHFFFAOYSA-N 300.314 3.301 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1 29584380 AFADQOCVXGDHRX-UHFFFAOYSA-N 315.348 3.056 5 40 DGBB O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCC[C@@H]2O)o1 78724839 VNCFERCIMHBZEE-HOCLYGCPSA-N 316.357 3.248 5 40 DGBB Cc1nn(C)c(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 47330965 VQUWUIJTMSFLST-UHFFFAOYSA-N 314.389 3.096 5 40 DGBB CCOC(=O)c1cn2cc(-c3ccccc3[N+](=O)[O-])sc2n1 59183613 SFYFSPGXZLLNLZ-UHFFFAOYSA-N 317.326 3.148 5 40 DGBB O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]4CC[C@@H]4[C@@H]32)c([N+](=O)[O-])c1 104286414 LCQCZRRBUXXKQU-JVSQWTDWSA-N 304.302 3.064 5 40 DGBB Cc1cc([N+](=O)[O-])cnc1Oc1cncc(Br)c1 70488695 VXQRYJDNEZTKCU-UHFFFAOYSA-N 310.107 3.248 5 40 DGBB Cc1ccc(C)c(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 5228766 OXQNVHHTCXGVOZ-UHFFFAOYSA-N 300.314 3.151 5 40 DGBB Cc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 92519297 OMQGXVHJZLUSGK-UHFFFAOYSA-N 312.325 3.426 5 40 DGBB O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2)C1 95389994 OOTRNWMMNIXGFL-LBPRGKRZSA-N 302.355 3.286 5 40 DGBB Cc1c(CO)c2ccccc2n1C(=O)c1ccccc1[N+](=O)[O-] 216959739 OYCWJRUOJOFVPS-UHFFFAOYSA-N 310.309 3.039 5 40 DGBB CCOc1cccc(N2CCC[C@H](n3cccn3)C2)c1[N+](=O)[O-] 96503053 ATDQRLXOYSDTHF-ZDUSSCGKSA-N 316.361 3.032 5 40 DGBB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 3412928 BXFTVUZGSVRATR-UHFFFAOYSA-N 314.219 3.137 5 40 DGBB Cn1cnnc1SCc1cc(=O)oc2ccc3ccccc3c12 3355191 SOIKPAGZHPNPPD-UHFFFAOYSA-N 323.377 3.367 5 40 DGBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] 2743201 HQDFELFCVKDVKQ-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC 57378147 RWIQLDHQCWFYSN-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 2802072 PXDUCXSIJTWQDD-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 24238092 BJMJWTOIYOUSSU-HNNXBMFYSA-N 312.329 3.359 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(-c2nn3c(C4CC4)nnc3s2)c1 36367237 KJXONBGELYJDMC-UHFFFAOYSA-N 321.749 3.292 5 40 DGBB COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 6832202 CTZVRBCVNIAANR-NSHDSACASA-N 315.329 3.043 5 40 DGBB O=C(c1ccoc1C1CC1)N1CCc2c1ccc([N+](=O)[O-])c2F 585124456 DRVGNQRPEJVIJZ-UHFFFAOYSA-N 316.288 3.407 5 40 DGBB CC(C)Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 20108131 ZYJMCZFLYBGBIM-UHFFFAOYSA-N 314.341 3.312 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1nc2ccccc2[nH]1 79097743 ALUGUONYPANJOP-ZDUSSCGKSA-N 309.329 3.208 5 40 DGBB O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccc1Cl 43425336 WKSWVRWYGZFDGW-DZGCQCFKSA-N 310.781 3.392 5 40 DGBB CCN(c1ccccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 5455732 QMTGCQXEAPKFAA-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB Cc1cccc(C(=O)OCCOc2ccccc2F)c1[N+](=O)[O-] 7814746 MBGYWFCZUMWLSQ-UHFFFAOYSA-N 319.288 3.278 5 40 DGBB Cc1cnc(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 76068965 APRPOXQOASLOGP-UHFFFAOYSA-N 320.374 3.032 5 40 DGBB COC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 226257307 QQGITPRTIRSLOM-VMPITWQZSA-N 303.270 3.050 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(C2CC2)cs1 25560828 NKPQLNKKWRFGSD-UHFFFAOYSA-N 303.343 3.110 5 40 DGBB COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(OC)c1 5460775 WFOUHKMGQOYIMZ-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 18833863 LDAPCAJTIDWKHM-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB O=C1Cc2cc([N+](=O)[O-])c(Sc3ccc(F)cc3)cc2N1 32826068 NTOHCJGYQFCSEJ-UHFFFAOYSA-N 304.302 3.380 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2cccn2)c1 75062966 IHJMAYICQPYFOH-GFCCVEGCSA-N 309.329 3.349 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)n2C)c1 89623909 CAFMJSZVHJWCNQ-UHFFFAOYSA-N 324.340 3.278 5 40 DGBB COC(=O)c1cc(NCc2nc(C)c(C)s2)ccc1[N+](=O)[O-] 92662616 GDDTWMBIFSPXLD-UHFFFAOYSA-N 321.358 3.067 5 40 DGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 5921602 OADOJXZVTBSTAI-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 14258197 YUYRVPUCYFPPGD-UHFFFAOYSA-N 320.732 3.438 5 40 DGBB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] 17155782 VMDBSAMGQZXPPA-AWEZNQCLSA-N 312.369 3.275 5 40 DGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@@H]2CC[C@@H]1C2 100832890 ASXTUVFJHPBHEQ-TWINXVHLSA-N 318.398 3.357 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)c1ccc(C)cc1 3273039 VSAKPJKYKIWRJU-UHFFFAOYSA-N 300.314 3.207 5 40 DGBB CCCCc1nnc2sc(-c3cccc([N+](=O)[O-])c3C)nn12 11277960 VGOXTUGNXATBAZ-UHFFFAOYSA-N 317.374 3.412 5 40 DGBB CSc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 2641069 CHERYECRDOGVEN-UHFFFAOYSA-N 317.322 3.246 5 40 DGBB CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 54614254 XZLOJIWNVNGTCA-JTQLQIEISA-N 312.753 3.028 5 40 DGBB CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 30849962 GMCMOZRBLGTLRF-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB O=C(NCc1ncoc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 79056260 NFYFJXRFWFOOTJ-UHFFFAOYSA-N 323.308 3.180 5 40 DGBB Cc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] 7777011 VJHCOJIARXARME-FZMZJTMJSA-N 305.378 3.010 5 40 DGBB Cc1noc(C)c1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl 95469905 FDZYXUKBZVIYCV-UHFFFAOYSA-N 309.753 3.485 5 40 DGBB O=[N+]([O-])c1ccc([C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 1615860 XRBKXMOUFWSFIF-GRDNDAEWSA-N 304.390 3.140 5 40 DGBB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 13137698 NLANKNXPCBGJMU-UHFFFAOYSA-N 314.297 3.008 5 40 DGBB O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13759000 RRBZNEHCJBPUPD-UHFFFAOYSA-N 320.372 3.345 5 40 DGBB CN(C)C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 409001016 OLRFIYLNRGDXIX-UHFFFAOYSA-N 305.341 3.358 5 40 DGBB O=C(Oc1ccccc1/C=C/[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 6322783 RITVYBYHPLIOST-MDZDMXLPSA-N 314.253 3.061 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 245232248 RTMOHIUWLIAADG-ILZDJORESA-N 318.437 3.261 5 40 DGBB O=[N+]([O-])c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 2697040 NMLNKTMFVMXNPZ-UHFFFAOYSA-N 300.705 3.496 5 40 DGBB Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(Cl)c1 7771295 DHIIEGOOJGJZRQ-UHFFFAOYSA-N 305.721 3.391 5 40 DGBB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 9141915 KXDNKMFYASQKLA-UHFFFAOYSA-N 317.301 3.035 5 40 DGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(C(C)(C)C)n1 69569251 KDKMXKJOAACSHT-UHFFFAOYSA-N 316.361 3.415 5 40 DGBB COCC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(C)o1 95465745 LTKRGCOQXUFDAE-LBPRGKRZSA-N 305.334 3.389 5 40 DGBB Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C 3149740 HTRKAMZTCYZOBO-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB biogenic Cc1ccc(O[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)O)cc1C 225126474 LMWBZBDNQUHNKO-INIZCTEOSA-N 315.325 3.286 5 40 DGBB Cc1cc(Nc2nc(-c3ccccc3[N+](=O)[O-])cs2)n[nH]1 255188893 MJAZSZLJIPFLGY-UHFFFAOYSA-N 301.331 3.493 5 40 DGBB CN(CCOc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33040291 JFDFZQGSTDALGE-UHFFFAOYSA-N 315.329 3.138 5 40 DGBB O=C(CC1CCOCC1)OCc1ccc(Cl)c([N+](=O)[O-])c1 72289690 XLSSQOVZBHBWAX-UHFFFAOYSA-N 313.737 3.108 5 40 DGBB CCCC[C@H](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 2353256 KEOUQFKUDYSYGK-LLVKDONJSA-N 308.334 3.205 5 40 DGBB O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 3448236 RKGXKXKSODUTSS-UHFFFAOYSA-N 324.749 3.229 5 40 DGBB Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 4611139 TXVPKJSIWGAEBE-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2c(=O)[nH]1 4632415 HKCOWHZAABMYFA-UHFFFAOYSA-N 313.338 3.291 5 40 DGBB Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)on1 95997564 LZBUBQFTAWRAJY-UHFFFAOYSA-N 315.207 3.162 5 40 DGBB Cc1nn(-c2ccccc2)cc1CNc1cc(N)ccc1[N+](=O)[O-] 193497212 NDBIRSKWLHMBDM-UHFFFAOYSA-N 323.356 3.283 5 40 DGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 5970954 SCUCZQDUKHGHOW-SNVBAGLBSA-N 311.297 3.121 5 40 DGBB Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 146930 PFMMMGCSWOFANV-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102999167 ONPHOBAWYXLNFV-SFTQSGBHSA-N 318.373 3.158 5 40 DGBB O=[N+]([O-])c1c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn12 26141724 JKYXEOAZECCCMR-HNNXBMFYSA-N 322.368 3.454 5 40 DGBB Cc1csc(-c2cc3c(=O)c4ccccc4oc3nc2N)n1 94986163 NTRQXNFZHPLNAQ-UHFFFAOYSA-N 309.350 3.355 5 40 DGBB Cc1c(NC(=O)c2noc3c2C[C@H](C)CC3)cccc1[N+](=O)[O-] 20295805 UOFAHKMNKXCKOF-SECBINFHSA-N 315.329 3.268 5 40 DGBB CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 30179545 USOXLOHPTNEHAS-UHFFFAOYSA-N 314.341 3.061 5 40 DGBB O=Cc1cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c1 258830410 GBXXBBMSXUOVOW-UHFFFAOYSA-N 314.013 3.068 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2ccnc2)c1 78570120 MYVOUCBZEFSXLI-GFCCVEGCSA-N 309.329 3.349 5 40 DGBB Cc1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1[N+](=O)[O-] 58225390 RIWLEVOZHYBIKI-UHFFFAOYSA-N 314.345 3.243 5 40 DGBB C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccnc1 81941035 DHZXJZHWBFXUKF-QMMMGPOBSA-N 323.150 3.320 5 40 DGBB Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1Cl 10874308 WCQBOEPEFWINRO-UHFFFAOYSA-N 306.705 3.187 5 40 DGBB CCc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1 2334277 HLWLYWGTGDCTPI-UHFFFAOYSA-N 318.332 3.055 5 40 DGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 6083676 UVRASSNSMIKKOU-SNVBAGLBSA-N 315.285 3.245 5 40 DGBB C[C@@H](NC(=O)Cn1ccc2c([N+](=O)[O-])cccc21)c1ccco1 71913903 SGCRCTWNATZHGD-LLVKDONJSA-N 313.313 3.020 5 40 DGBB CCOC(=O)c1c(=O)[nH]c2cccc3sc4ncccc4c1c23 13002374 RFPIBMZCWZLLFV-UHFFFAOYSA-N 324.361 3.468 5 40 DGBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 62304 WFLIQTSMTKJVHQ-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB CC(C)CN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5284538 GZFKKDAEBLDFED-UHFFFAOYSA-N 323.349 3.257 5 40 DGBB Cc1cccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 4696538 LKADXNWGWRQFMH-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 5394953 ANUPDCQPMRETRQ-VMPITWQZSA-N 303.705 3.295 5 40 DGBB Cc1c(Cl)cccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 5536892 YNVMOASULFWYME-UHFFFAOYSA-N 316.700 3.357 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])c(OCc2ccc(Cl)cc2)cc1O 216933392 BBBAQYWHOCCJAL-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB O=[N+]([O-])c1cc(F)c(OC(F)(F)F)c(Br)c1O 98211011 QXPGGDWJRLIWAM-UHFFFAOYSA-N 319.992 3.101 5 40 DGBB Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1C 4061522 ZCOMJBJFZIEPHK-UHFFFAOYSA-N 323.352 3.325 5 40 DGBB aggregator CCOc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 5158521 ZFGDFYZZJIDOBX-UHFFFAOYSA-N 302.286 3.435 5 40 DGBB Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 4611075 GRUBHZBFHKJBAM-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 44900382 YBAWKTFPWCLXBD-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB Cc1nc(C)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 153874696 LPOZIKGPTXQMCF-UHFFFAOYSA-N 315.329 3.004 5 40 DGBB CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C1CC1)C1CC1 50681853 SLPLEPFEALVGGE-UHFFFAOYSA-N 313.357 3.337 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104817008 XLSADTSFKQLQTJ-SDDRHHMPSA-N 304.346 3.368 5 40 DGBB COC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 216896481 IGKAAPQAOQHAMV-JXMROGBWSA-N 313.309 3.360 5 40 DGBB CCN(C(=O)COc1ccc([N+](=O)[O-])cc1F)c1ccccc1 40116554 UWBBQFUEGLTWSQ-UHFFFAOYSA-N 318.304 3.166 5 40 DGBB Cc1nc(C)c([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])s1 56021745 IUOWFFHECBQYOI-SECBINFHSA-N 305.359 3.159 5 40 DGBB CCOCc1cc([N+](=O)[O-])ccc1NCc1ccc(OC)nc1 75147157 PXEHJSGTHQMYSD-UHFFFAOYSA-N 317.345 3.147 5 40 DGBB Cc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1[N+](=O)[O-] 216959888 ZYDMZYBFYJADNT-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)C[C@H]1CC[C@]23C 5445469 IZWDZBPUWSWQNY-BEMMVCDISA-N 316.357 3.129 5 40 DGBB CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 39382 IXYJWUUKMRRUNY-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB CC(=O)Nc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1 1749066 VTGQUZDUSOAZSN-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB O=C1Nc2ccccc2S/C1=C\c1cc([N+](=O)[O-])ccc1O 409096033 JIKSWMAEFZTQOI-ZSOIEALJSA-N 314.322 3.386 5 40 DGBB CCc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 39477909 OWXLLMVRVAXUFF-UHFFFAOYSA-N 324.340 3.146 5 40 DGBB O=C(C[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2)c1ccccc1 2044565 AXLJDGFVXAWIRM-CQSZACIVSA-N 313.309 3.049 5 40 DGBB Cc1sc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 67107276 QFNOBAVTHXAAJF-VXGBXAGGSA-N 320.345 3.390 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1 216768070 XMPLATVGWSJABF-VXGBXAGGSA-N 306.362 3.254 5 40 DGBB O=C(O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 20140794 IDYAFZQCIJPMPD-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)cc1 58379697 RODXAQVWGOOVTI-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccn1 48349276 PBCLQLYSEPOQSH-LLVKDONJSA-N 300.318 3.215 5 40 DGBB C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] 97080950 JVWQZIZCKGUSDR-JTQLQIEISA-N 320.374 3.146 5 40 DGBB C[C@@H]1CC[C@@H](CCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1 95973891 BMBUISCRRZIYOE-OLZOCXBDSA-N 318.373 3.222 5 40 DGBB Cc1cc2nc3ccccc3c(=O)n2c2ccc([N+](=O)[O-])cc12 198133 XIYPFXDCUOQKGK-UHFFFAOYSA-N 305.293 3.218 5 40 DGBB CC[N+](C)(CC)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)CC1(C)C 1584606 BFGPCGWIISNUOO-HOTGVXAUSA-N 310.483 3.114 5 40 DGBB O=c1ccn(CCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] 178237863 PXDCHGKDSUAMNM-UHFFFAOYSA-N 324.336 3.379 5 40 DGBB O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 5364133 BCYFUFLCKVRBLS-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1 9314243 FRKNAUHNDZZVCU-UHFFFAOYSA-N 312.329 3.125 5 40 DGBB CCOc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 20461673 ZPEJBNKYRZDHRY-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB CCOC(=O)[C@@H](C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 3850172 PFHCPTVVRFNNFH-OAHLLOKOSA-N 313.309 3.124 5 40 DGBB biogenic CCOC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1 70462189 KWFZQCOTGSMFRK-UHFFFAOYSA-N 312.753 3.415 5 40 DGBB Cn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 95470759 PTIFHFIJQUNQOS-UHFFFAOYSA-N 301.301 3.389 5 40 DGBB O=[N+]([O-])c1ccc(-c2nnn(C3CC3)c2N2CCCCC2)cc1 1583042 XXQQVQAGAXQBAY-UHFFFAOYSA-N 313.361 3.179 5 40 DGBB Cc1ccc(-c2noc(CC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1709593 KSGGSFQWQRMYOB-UHFFFAOYSA-N 323.308 3.379 5 40 DGBB O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])s1 6507821 OUJMDVMXEZUENQ-LBPRGKRZSA-N 302.355 3.464 5 40 DGBB Cc1ccc([C@H](C)N[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 90578514 UXGPXIJWGLYJGQ-RYUDHWBXSA-N 308.378 3.284 5 40 DGBB Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[N+](=O)[O-] 5926007 MPOWMSPLCUIOFH-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)CCCCC1 247694057 YEBJFOUHZMECGW-QKNQBKEWSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 78553236 RRZJQUIISJPRAU-SECBINFHSA-N 322.796 3.449 5 40 DGBB COc1cccc([C@H](CNc2ccccc2[N+](=O)[O-])N(C)C)c1 25280529 PYLQOIZIFQAIKZ-KRWDZBQOSA-N 315.373 3.318 5 40 DGBB CCOC(=O)Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1 25369581 PFOZAJPVQQEZDK-UHFFFAOYSA-N 303.274 3.351 5 40 DGBB Cc1ccc(N2C(=O)[C@@H]3C=CC=C4C([N+](=O)[O-])=CC=C2[C@H]43)cc1 1554503033 BMPJGZYVGKVPKV-RHSMWYFYSA-N 306.321 3.128 5 40 DGBB Cc1c(NC(=O)NCCCOCC(C)C)cccc1[N+](=O)[O-] 40099059 MBZZVELWCCNXJM-UHFFFAOYSA-N 309.366 3.087 5 40 DGBB Nc1ccccc1S[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 100738 GOZMYDAYGPERLQ-OAHLLOKOSA-N 318.354 3.108 5 40 DGBB in-vitro O=C(Nc1cc(-c2cccs2)n[nH]1)c1cccc([N+](=O)[O-])c1 58136660 CPDCFPRFXVLYFK-UHFFFAOYSA-N 314.326 3.299 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(Cc3cccs3)CC2)s1 48999501 SPSWOYQSZXNHJM-UHFFFAOYSA-N 309.416 3.040 5 40 DGBB O=C(Nc1ccnc2c1ccc1ccccc12)c1cnccn1 40384381 QHRPTFSVZVLEKN-UHFFFAOYSA-N 300.321 3.430 5 40 DGBB CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 5599074 IXHRNZUYAZVMPB-AWEZNQCLSA-N 320.389 3.453 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 20048442 GXVZTMMIMZRIEE-LLVKDONJSA-N 300.314 3.094 5 40 DGBB CN(C(=O)c1ccc([N+](=O)[O-])o1)C1C2CC3CC(C2)CC1C3 46437677 UUDSAFICWBWVHC-UHFFFAOYSA-N 304.346 3.085 5 40 DGBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 8286234 PREZVOLBPCWANZ-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB O=[N+]([O-])c1ccc([C@@H]2O[C@@H]3C[C@@H]4[C@@H]5CCC[C@@H]5[C@@H]3[C@@H]4O2)cc1 104077845 OMRABCPWSAHSLM-FPDCHNRVSA-N 301.342 3.443 5 40 DGBB C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 8851694 CYAQBQIOVXPXIO-CRALRDPISA-N 300.314 3.121 5 40 DGBB Cc1nn(C)cc1[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 95396561 ZHLWSNRJBCFZDA-QMMMGPOBSA-N 317.374 3.420 5 40 DGBB Cc1ccc([C@H](C)NCCC(=O)NC2CCCC2)cc1[N+](=O)[O-] 95420741 RPDZKBFVAZUWNK-ZDUSSCGKSA-N 319.405 3.003 5 40 DGBB CC[N+](C)(CC)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)CC1(C)C 1584609 BFGPCGWIISNUOO-HZPDHXFCSA-N 310.483 3.114 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1 9751982 YOJBHHORCNSVGE-UHFFFAOYSA-N 317.320 3.048 5 40 DGBB Cc1cccc(C)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 32722040 DDGKQNZWLNZLRB-UHFFFAOYSA-N 314.297 3.193 5 40 DGBB COc1ccc(C(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 10446389 UMSDBLNFOGDMOB-SNVBAGLBSA-N 319.288 3.393 5 40 DGBB O=[N+]([O-])c1ccc(Cl)cc1OCc1nc(-c2ccoc2)no1 75584297 WINLZFKDQYATBV-UHFFFAOYSA-N 321.676 3.470 5 40 DGBB CC[N+](C)(CC)C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 226071519 CJHYHYADQNZZKQ-OAHLLOKOSA-N 324.485 3.219 5 40 DGBB COc1cc([C@H](O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC 502252 DGJOAVNJIBQHJF-OAHLLOKOSA-N 323.732 3.347 5 40 DGBB Cc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 8587101 YNCFWMIENHFOGT-UHFFFAOYSA-N 302.334 3.190 5 40 DGBB CCC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 18134993 HHBRVAPQAGEQQA-OAHLLOKOSA-N 313.357 3.448 5 40 DGBB O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccccc2)c2ncccc12 95438991 DCYWZMRVDQHMTB-OAHLLOKOSA-N 310.309 3.255 5 40 DGBB O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 31549544 HBRNFPKVLOPSHG-UHFFFAOYSA-N 304.277 3.142 5 40 DGBB Cc1ccccc1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 5400928 PPDWVCSMLKEGFT-UHFFFAOYSA-N 321.336 3.175 5 40 DGBB COc1ccc([C@@H](CC(=O)OC2CCCCC2)C[N+](=O)[O-])cc1 28311 GAPOALIXVQSFDU-AWEZNQCLSA-N 321.373 3.322 5 40 DGBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 1372456 ZUVPLHZGVMNKPA-UHFFFAOYSA-N 323.352 3.306 5 40 DGBB COc1cccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 7982744 BZJCZKRHLYVUGR-UHFFFAOYSA-N 300.314 3.418 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccn1C 79355360 YTTKDOJFCIMNIG-INIZCTEOSA-N 313.357 3.219 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 14398422 NZAAAJUFKVLSNT-NSHDSACASA-N 318.304 3.448 5 40 DGBB COc1ccc(NC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])c1 6826479 AFWQCSZUNMMDMU-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB CC(=O)C(C(C)=O)[C@H](c1ccco1)[C@@H](c1ccccc1)[N+](=O)[O-] 108938925 RNQFOKZSCUCRSO-DLBZAZTESA-N 315.325 3.175 5 40 DGBB O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1O 409392774 RSZWKMGDFLQTSG-UHFFFAOYSA-N 315.310 3.109 5 40 DGBB Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 62719637 OWEXBEDFLQVVPM-UHFFFAOYSA-N 310.313 3.267 5 40 DGBB O=[N+]([O-])c1cccc(CNc2ccn(CCc3ccncc3)n2)c1 89780833 LENZZWKRQXAUCR-UHFFFAOYSA-N 323.356 3.041 5 40 DGBB Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1[N+](=O)[O-] 2663921 PLJATTQZKWQYMA-UHFFFAOYSA-N 323.352 3.357 5 40 DGBB C[C@]1(C(=O)O)CCC[C@@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12 4127823 HYWTWHWYNWLRLS-PVAVHDDUSA-N 319.357 3.395 5 40 DGBB CCCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 72500227 QNDLKVGIKIWZBH-UHFFFAOYSA-N 303.322 3.154 5 40 DGBB C[C@H](C[N+](C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1 379366 FMQQCVOCWNPYPL-MRXNPFEDSA-N 312.433 3.456 5 40 DGBB Cc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc23)on1 97142405 DORAPQCTAOOKQC-UHFFFAOYSA-N 312.285 3.000 5 40 DGBB Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nc2ccccc2o1 26119991 UEEDAONJLNPERY-UHFFFAOYSA-N 312.281 3.401 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnsc1Cl 44917890 VMRXWCFOHRPNLY-UHFFFAOYSA-N 312.782 3.122 5 40 DGBB COc1ccc(Cl)cc1C(=O)Oc1cccc([N+](=O)[O-])c1 6270588 UVOCPDCGEPNZTG-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccccc1 340186320 IHXBFFFELTUFPF-UHFFFAOYSA-N 302.355 3.467 5 40 DGBB CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 3107589 HMJONUBQSIJDTA-UHFFFAOYSA-N 324.387 3.119 5 40 DGBB CN[C@@](C)(COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 1710490 PZZUDNGAXWSHOX-KRWDZBQOSA-N 320.389 3.310 5 40 DGBB O=[N+]([O-])c1cccc(-c2c[n+](-c3ccccc3)c3n2CCS3)c1 27788664 ZTOOHURHIPDISO-UHFFFAOYSA-N 324.385 3.446 5 40 DGBB C[C@@H]1CCc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 4031460 IJXMWAPJWLGLPZ-SECBINFHSA-N 317.370 3.428 5 40 DGBB CC(=O)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4128760 SEMUUQOWHQGGFF-UHFFFAOYSA-N 301.258 3.188 5 40 DGBB O=C(COc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 8907698 PHUVJEXPDUPNTK-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(Cl)c1 75127483 FOXUOPLMAWGCEK-SECBINFHSA-N 317.732 3.235 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20105238 VQBSBMPORYDSMU-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB Cc1ccc(NC(=O)CNc2ccccc2F)c([N+](=O)[O-])c1 6558446 WAANCZQOFOWKRO-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB O=[N+]([O-])c1ccc(NC2=Nc3ccc([N+](=O)[O-])cc3OC2)cc1 16428608 JEZUKFULDYWBLY-UHFFFAOYSA-N 314.257 3.038 5 40 DGBB O=C(NCCOc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 159336832 GATOGRMJSGCEKD-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB Cc1cc(NC(=O)c2ccncc2)c2cc([N+](=O)[O-])ccc2n1 97142420 CQKQMKILWHGKPL-UHFFFAOYSA-N 308.297 3.099 5 40 DGBB O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)c(F)c1 95422791 BEDFLBVYIOIOSJ-CQSZACIVSA-N 304.325 3.184 5 40 DGBB COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)cc1 71977405 ADNONOXVWZEXNR-UHFFFAOYSA-N 322.324 3.310 5 40 DGBB CC[N+](C)(CC)CCSCCSCC[N+](C)(CC)CC 5469376 YYNWLQBVLZOTBA-UHFFFAOYSA-N 322.628 3.426 5 40 DGBB CC(C)CCNCC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1 1710482 XQOOWHCHJBZMQS-UHFFFAOYSA-N 308.378 3.166 5 40 DGBB O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 4822146 MXQZOLQAKAAQIU-UHFFFAOYSA-N 312.075 3.316 5 40 DGBB CC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1 4927511 CDWXRJAUZUERFH-UHFFFAOYSA-N 320.393 3.026 5 40 DGBB COc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] 84070357 VTEQNLUTFUFYMX-NSHDSACASA-N 315.329 3.043 5 40 DGBB O=[N+]([O-])c1ccc(O)c(CSc2nnc(-c3ccoc3)o2)c1 36201970 PYLOMZRNOAMMNI-UHFFFAOYSA-N 319.298 3.236 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 5234078 FNTICIFIQHQJRC-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB Cc1cc(C)cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1800569 ZVWYALHIMWNOKK-UHFFFAOYSA-N 316.269 3.339 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](c2ccncn2)C1 71808732 PUWHBTOFHYZDLU-NSHDSACASA-N 318.764 3.422 5 40 DGBB O=C(O)c1cc(OCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O 216932288 VQHNPEPQAKGNRG-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(C)c1 5546750 QENOCVOONXLCNO-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=[N+]([O-])c1ccccc1CSc1ncn(-c2ccccc2)n1 12268032 IYIPAKJLIVVACZ-UHFFFAOYSA-N 312.354 3.468 5 40 DGBB O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCC[C@H]2O)o1 78724842 VNCFERCIMHBZEE-GOEBONIOSA-N 316.357 3.248 5 40 DGBB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1C 40114726 OSHGPOJUTLYKSU-DGCLKSJQSA-N 317.370 3.031 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCCCC1 5107674 RUQUCDGWQVVAEQ-CYBMUJFWSA-N 318.373 3.369 5 40 DGBB Cc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 15965259 DBXDTFZMKFONTP-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB Cc1cccc(N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 96425193 KEYPSLUEEALJPI-UHFFFAOYSA-N 305.721 3.228 5 40 DGBB CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CC(C)C)N(C)C 60358334 GZRFSCQMAZJPQJ-INIZCTEOSA-N 323.437 3.059 5 40 DGBB C[C@]12CC[C@@H](C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 104260463 MVTPHFKACRPZAF-DYQSUWPFSA-N 320.301 3.239 5 40 DGBB CCN(CC)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F 11614598 ZDARYBVGQLJWLZ-UHFFFAOYSA-N 307.228 3.368 5 40 DGBB O=C(c1ccc2ccccc2n1)N1CCc2ccc([N+](=O)[O-])cc21 48332296 SBECZDMHSXYZBD-UHFFFAOYSA-N 319.320 3.346 5 40 DGBB C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] 4835334 SWCFIFDZJDYFOG-JTQLQIEISA-N 303.343 3.109 5 40 DGBB COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)cc1 40169734 DHLSLOGDPOLWSD-UHFFFAOYSA-N 310.313 3.364 5 40 DGBB Cc1nn(C)c(N[C@@H]2CCc3c(Cl)cccc32)c1[N+](=O)[O-] 57147320 GMLPXJHFOIVPJW-GFCCVEGCSA-N 306.753 3.390 5 40 DGBB CCn1nc(C)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C 78605941 MJSWQLYUWHPSTD-UHFFFAOYSA-N 322.752 3.334 5 40 DGBB O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Cl)cc2)cc1 15109512 FHUDGSCUHMFGGP-HNNXBMFYSA-N 306.749 3.071 5 40 DGBB O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc3C2)nc2ccccn12 84581799 KFZDBLJQIAROIE-CQSZACIVSA-N 308.341 3.212 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1scnc1C1CC1 89738752 WKCZQWYWYOXZHS-UHFFFAOYSA-N 319.342 3.190 5 40 DGBB C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 28063581 DPYCILUQEVSQAK-NSHDSACASA-N 324.340 3.005 5 40 DGBB CC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 74241811 YQXLKLCIHLYWKV-QMMMGPOBSA-N 304.268 3.484 5 40 DGBB O=C1Nc2ccc([N+](=O)[O-])cc2[C@@H]1c1cc(Cl)ccc1O 4776181 HIWWLYCHQBQLNU-CYBMUJFWSA-N 304.689 3.038 5 40 DGBB Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccc([N+](=O)[O-])cc1 13115066 WSNCZPXOUKPDIQ-UHFFFAOYSA-N 323.308 3.026 5 40 DGBB biogenic CCCSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 4086606 ACZFFLMERJRCPA-UHFFFAOYSA-N 324.387 3.201 5 40 DGBB C[C@H]1CCCCCN1CCCOC(=O)c1ccc([N+](=O)[O-])cc1 1671200 UELWWMDNEKMJIH-AWEZNQCLSA-N 320.389 3.406 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 10885105 OWGFCXCOMVKESE-ZZXKWVIFSA-N 314.366 3.254 5 40 DGBB O=C1[C@@H](Sc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 67428327 MXXDXCNXQVKHSX-HNNXBMFYSA-N 314.366 3.492 5 40 DGBB O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccccc1 96021597 GEBUGTWOELGILY-JLHYYAGUSA-N 319.320 3.249 5 40 DGBB O=[N+]([O-])c1cccc(F)c1CN(Cc1ccncc1)C1CC1 89768116 JWFXXNMZVIUKQN-UHFFFAOYSA-N 301.321 3.294 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1cccs1 31929803 JZOPILXNEWDMTH-CMDGGOBGSA-N 302.355 3.328 5 40 DGBB O=C(NCCC1=CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5943675 PVZDUFMFFVIWKH-UHFFFAOYSA-N 319.317 3.123 5 40 DGBB CC(C)C(=O)Nc1cccc(CNc2ncccc2[N+](=O)[O-])c1 24211445 JHDZSBILNNYTHO-UHFFFAOYSA-N 314.345 3.196 5 40 DGBB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 16103803 JRROBXWSKYKXRM-UHFFFAOYSA-N 322.223 3.169 5 40 DGBB O=C(N1CCOc2ccccc21)C1(c2ccc([N+](=O)[O-])cc2)CC1 225989919 ZGWIKQSTTFCWAN-UHFFFAOYSA-N 324.336 3.052 5 40 DGBB COc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 320718008 VJBSYVDIWZXDBS-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccco2)c1 32841667 CQSRXEOXYMURBQ-SECBINFHSA-N 306.343 3.401 5 40 DGBB COC(=O)c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 12082673 ILZORYMGEHCNBD-UHFFFAOYSA-N 324.296 3.068 5 40 DGBB CN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 18008756 IFMUJCDVDHBPPO-UHFFFAOYSA-N 318.760 3.449 5 40 DGBB CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl 13040582 AFIMPOJEVQKSOV-CQSZACIVSA-N 320.780 3.358 5 40 DGBB Cc1cc(C(=O)Nc2ccc([C@@H](C)O)cc2)ccc1[N+](=O)[O-] 226273730 ZPBBAPLORNVBAE-LLVKDONJSA-N 300.314 3.209 5 40 DGBB CCOc1cccc(N2CCC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] 96503054 ATDQRLXOYSDTHF-CYBMUJFWSA-N 316.361 3.032 5 40 DGBB Cc1[nH]c2ccccc2c1C(=O)COc1cccnc1[N+](=O)[O-] 5971001 UVGYXNYODCYIAK-UHFFFAOYSA-N 311.297 3.041 5 40 DGBB CC(C)n1c(N)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 96455286 KZWKALWJERJIMN-SECBINFHSA-N 307.379 3.203 5 40 DGBB CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 14397657 AJICDMPYBXMAQO-UHFFFAOYSA-N 320.370 3.266 5 40 DGBB CCOc1cc(C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC 29484135 TXPUQVPDXYWUHN-UHFFFAOYSA-N 322.361 3.018 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCc1ccc(Cl)cc1 28330596 DISOIEIJVZWURV-FNORWQNLSA-N 306.705 3.171 5 40 DGBB Cc1csc(CN(C)C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 89587317 QHAOOGYDSMUMJW-UHFFFAOYSA-N 323.349 3.079 5 40 DGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 5249538 OWBJECUCTDPYSK-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB CC[C@@H](C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4660684 GSPKWVMXRAQERJ-GFCCVEGCSA-N 305.378 3.113 5 40 DGBB CC(=O)Nc1ccc(C)cc1OCc1ccc([N+](=O)[O-])cc1 69706379 RMIMXEOGFSNLPK-UHFFFAOYSA-N 300.314 3.441 5 40 DGBB CC(C)n1ccnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 8720065 KDGDVXVYRWRFCT-UHFFFAOYSA-N 320.374 3.103 5 40 DGBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Cl)ccn1 71799848 XHQJUPASFNZTSY-SECBINFHSA-N 317.732 3.235 5 40 DGBB CC(C)[N+]1(C)[C@H]2CC[C@H]1CC(C(=O)[C@@H](CO)c1ccccc1)C2 504279861 FPHNWKCKNIVGKU-VGEYWCCESA-N 316.465 3.128 5 40 DGBB Cc1c(NC(=O)NCCc2cccs2)cccc1[N+](=O)[O-] 40099065 QPCKTKABJSKBIQ-UHFFFAOYSA-N 305.359 3.329 5 40 DGBB Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1 69443525 HCYQIMLGOSOMAR-UHFFFAOYSA-N 310.313 3.112 5 40 DGBB COc1c(C(=O)N2CCCCC2)cc(C(C)C)cc1[N+](=O)[O-] 72206643 VFZONHLSRBFTPP-UHFFFAOYSA-N 306.362 3.353 5 40 DGBB Cc1ccc(C)c(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 48364453 NQMXZBQXCUXVIR-UHFFFAOYSA-N 313.357 3.287 5 40 DGBB CC(=O)c1ccc(N(C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 46406801 UMDSOCFXXLBJHH-UHFFFAOYSA-N 303.318 3.039 5 40 DGBB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C1CC1 5971635 JEDMRWZFWSDBGP-UHFFFAOYSA-N 315.329 3.005 5 40 DGBB Nc1cnccc1C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 199712574 LHTONCRHMZCGCP-UHFFFAOYSA-N 309.281 3.063 5 40 DGBB O=[N+]([O-])c1c(SC[C@H](O)c2ccccc2)nc2sccn12 52427106 ZBAUXGZSJQCDSQ-JTQLQIEISA-N 321.383 3.130 5 40 DGBB O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1Cl 3882691 UBXHKRPWPKQXGK-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB CC(=O)c1ccc(NCCCOCc2ccco2)c([N+](=O)[O-])c1 67772297 HRMZEIOASAAWSF-UHFFFAOYSA-N 318.329 3.409 5 40 DGBB CC(C)CN1C(=O)S/C(=C\Nc2cccc([N+](=O)[O-])c2)C1=O 36636216 KBZIJSJXVFUNMX-GHXNOFRVSA-N 321.358 3.200 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCCC1 5118602 DGOBOMPZGSBWTE-SECBINFHSA-N 312.753 3.074 5 40 DGBB NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c1 40520106 WFALAEHHPFJULL-UHFFFAOYSA-N 309.281 3.034 5 40 DGBB CCS[C@H]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 76067706 AVCLUWLDMIAXOT-HIFRSBDPSA-N 322.430 3.270 5 40 DGBB Cc1csc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 8776489 QTRVKOAGKQGOQK-VIFPVBQESA-N 323.399 3.479 5 40 DGBB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 18150958 VNCPOQBBPSWNDC-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB CCCCN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 53778389 CQRXJZWKCIKRSX-UHFFFAOYSA-N 318.320 3.437 5 40 DGBB Cc1ccc([N+](=O)[O-])c(Oc2nc3ccccn3c2[N+](=O)[O-])c1 52718672 ULDWUGDQUPNUPO-UHFFFAOYSA-N 314.257 3.251 5 40 DGBB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 25106154 HGEQRSXMBJKEPK-JTQLQIEISA-N 304.302 3.030 5 40 DGBB CCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)O)cc1 48236596 DPKDYKFSLDCFFY-VMPITWQZSA-N 314.297 3.257 5 40 DGBB CN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 3416206 ZCFORRQPGOJYJN-UHFFFAOYSA-N 320.732 3.290 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@@H](C)C1 216768023 XMPLATVGWSJABF-TXEJJXNPSA-N 306.362 3.254 5 40 DGBB COC(=O)c1ccoc1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 24864764 VQAGUOHVROICOO-LLVKDONJSA-N 318.329 3.167 5 40 DGBB COc1ccc([C@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 226292018 JMEFOODYKHEDDC-MRXNPFEDSA-N 303.314 3.002 5 40 DGBB CC1=Nc2c(ncnc2N(C)C)Sc2ccc([N+](=O)[O-])cc21 500427 ZVBMFMNCZBUQJU-UHFFFAOYSA-N 315.358 3.056 5 40 DGBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2780097 KVFIVKJTBMWRAT-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 8389194 JKICJCHWFXGVKE-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB Cc1nn(CN2CC=C(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] 25500209 HZRNXJACQLCCPB-UHFFFAOYSA-N 312.373 3.155 5 40 DGBB CN(Cc1ccc2ccccc2c1)Cc1ncc([N+](=O)[O-])n1C 97166028 JSKVSGWWYGQGOX-UHFFFAOYSA-N 310.357 3.114 5 40 DGBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 409012736 RRDXZZNASHKDDB-YXYQAXARSA-N 306.343 3.430 5 40 DGBB CCc1cc(N(C)CC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64914779 ZAFBMXVQGVQEHZ-UHFFFAOYSA-N 312.373 3.460 5 40 DGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2[nH]1 9364775 UHSUIBBWVFBSIA-MRVPVSSYSA-N 316.342 3.024 5 40 DGBB COc1ncccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C 97059202 SUFUEWHFRBRAKA-UHFFFAOYSA-N 318.329 3.365 5 40 DGBB COc1ccc(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 32750380 DVXMWOQBTFVNQE-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@H]3OCCC[C@H]31)CCC2 248997862 PPBACDAOLABGBH-SVGFKBNWSA-N 302.374 3.129 5 40 DGBB O=C(Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] 43536 LEGHUVFDTOMOAD-UHFFFAOYSA-N 322.118 3.005 5 40 DGBB O=[N+]([O-])c1cccc(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 100172862 NZSFSIIPYKWUNS-UHFFFAOYSA-N 305.202 3.204 5 40 DGBB C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 8851696 CYAQBQIOVXPXIO-YPUOHESYSA-N 300.314 3.121 5 40 DGBB O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)nc1 69509975 CXHOCLWZHHXUGT-CQSZACIVSA-N 319.748 3.221 5 40 DGBB Cc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1[N+](=O)[O-] 32644156 LZRBOCKQAZRUSW-CYBMUJFWSA-N 314.341 3.447 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@@H]1COc2ccccc21 84086164 MUWRXNWVLSXMCS-CQSZACIVSA-N 312.325 3.326 5 40 DGBB O=C(c1cccc(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 8919124 OYQCZNOVIRHOSL-UHFFFAOYSA-N 302.717 3.451 5 40 DGBB COc1ccc(C)cc1COC(=O)c1ccc([N+](=O)[O-])cc1 7748391 WILWZWHZHUZORN-UHFFFAOYSA-N 301.298 3.269 5 40 DGBB COc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 263588 LHXNDFXTUONUCW-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc(Cl)cc1C2=O 4758967 HEBFFOBIRHHJTB-UHFFFAOYSA-N 316.700 3.418 5 40 DGBB C[C@]12CO[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]32C 101691850 KSTMBVIMPFZXMJ-GLZXHMCRSA-N 316.357 3.129 5 40 DGBB O=[N+]([O-])c1ccc(/C=C2/CCc3cnc4scc[n+]4c32)cc1 103438907 HBJXNSFYPKRBLH-XFXZXTDPSA-N 310.358 3.277 5 40 DGBB C[C@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-] 8338175 HLACUBHXUZWGKX-SECBINFHSA-N 306.347 3.330 5 40 DGBB CO[C@@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 78551821 MDGAPEXWRPTJES-CQSZACIVSA-N 304.277 3.060 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)NC1CCCCC1 4893549 WUMQYGOAUJSSIV-LBPRGKRZSA-N 305.378 3.153 5 40 DGBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccnc1 24238097 CQSMGHGJGSXIAQ-CQSZACIVSA-N 312.329 3.359 5 40 DGBB Cc1ccc(O[C@H](C)c2nc(-c3ccco3)no2)c([N+](=O)[O-])n1 29739014 ZPZVYYDDBJNCLX-SECBINFHSA-N 316.273 3.081 5 40 DGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1OC 85345201 JXAGVLKYILKGMN-UHFFFAOYSA-N 304.258 3.187 5 40 DGBB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 17166983 QAKLJPOXWJHLQY-RYUDHWBXSA-N 317.389 3.287 5 40 DGBB Cc1ccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 10110405 SDFWQYXZDJLQAM-UHFFFAOYSA-N 312.369 3.195 5 40 DGBB Cc1c(NC(=O)N(C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] 47346047 XIUDHLQQFKSZKK-UHFFFAOYSA-N 315.329 3.273 5 40 DGBB Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(Cl)c1 3447157 BXAOHGBZWVLHRW-UHFFFAOYSA-N 322.752 3.009 5 40 DGBB Cc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1[N+](=O)[O-] 6524702 NOGWWGADKQWFQA-UHFFFAOYSA-N 317.370 3.491 5 40 DGBB O=C(CSCc1cccc([N+](=O)[O-])c1)NCc1ccccc1 408723759 KFRONJQQGIDTRL-UHFFFAOYSA-N 316.382 3.144 5 40 DGBB CCN(Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 95430636 NRZFSEYELMEFBI-GFCCVEGCSA-N 317.345 3.037 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1OCc1nc(-c2ccoc2)no1 89591217 HFJDXNZCDKXBNE-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 226293212 PHEYCYZUZRPWOY-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB O=C1c2ccccc2C(=O)N1Cc1c(Cl)cccc1[N+](=O)[O-] 1749099 VXIZFNSCEYZQEA-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB O=c1[nH]c2ccc(I)cc2c2ccccc12 16951704 BIOMWSGGNHSVRP-UHFFFAOYSA-N 321.117 3.286 5 40 DGBB Cc1nc(C)c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 76068914 AIJGVFLKZKKOQS-UHFFFAOYSA-N 320.374 3.298 5 40 DGBB CC1CCN(c2ccc(C(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 6623536 CGJPYYKQHHLGTG-UHFFFAOYSA-N 319.405 3.359 5 40 DGBB COc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O 1649600 LSUJEFUOJJOYDR-UHFFFAOYSA-N 313.316 3.398 5 40 DGBB Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 567124 GHURCFUFYSQLIM-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Cl 3093748 VECYYZWJQDDDEH-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])NC1CCCCCCC1 3382331 CXEMOVVABQPUPI-UHFFFAOYSA-N 306.362 3.203 5 40 DGBB O=[N+]([O-])c1cccnc1Oc1cccc(Oc2ncccn2)c1 65626018 FYSNMGGXKOPGRP-UHFFFAOYSA-N 310.269 3.364 5 40 DGBB COc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1 8374604 CMMQXOQEGVTNAV-UHFFFAOYSA-N 307.356 3.464 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])c(OCc2ccccc2Cl)cc1O 216933510 PLCUYVCYUBIFRT-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB Cn1ncnc1COc1ccc([N+](=O)[O-])cc1-c1cccs1 96449282 MACWVLAXJBBXIG-UHFFFAOYSA-N 316.342 3.031 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCC2 6526525 FEOHPBIOZGBUQP-BQYQJAHWSA-N 315.354 3.192 5 40 DGBB O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1[C@H]1C[C@@H]2CC[C@@H]1C2 100552671 PJGLHLDSXDQZDA-TWINXVHLSA-N 318.398 3.357 5 40 DGBB CC(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 29470471 ZEAWUWDOZPKBDA-UHFFFAOYSA-N 304.327 3.420 5 40 DGBB Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1c([N+](=O)[O-])ncn1C 58420055 FUKPGMIERLAUKI-LLVKDONJSA-N 304.350 3.355 5 40 DGBB O=C(OCc1nc2ccccc2c2ccccc12)C1=COCCO1 6604805 DBSFRRXCIQZKMF-UHFFFAOYSA-N 321.332 3.319 5 40 DGBB Cc1ccc(OCc2ccc(C(=O)NC(C)C)o2)c([N+](=O)[O-])c1 115345 LSYHULXKEAFDMZ-UHFFFAOYSA-N 318.329 3.213 5 40 DGBB COc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 226292025 DLUVUVTXSQBIFA-INIZCTEOSA-N 303.314 3.002 5 40 DGBB O=[N+]([O-])c1cc(NCc2nccn2CC(F)(F)F)ccc1F 78903819 YVQMCJLMDUOQNQ-UHFFFAOYSA-N 318.230 3.105 5 40 DGBB O=C1c2ccccc2C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl 1748596 WAMRZMCVPPEDRA-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1[C@@H]1C[C@@H]2CC[C@@H]1C2 100552669 PJGLHLDSXDQZDA-JDOCFBBISA-N 318.398 3.357 5 40 DGBB CC(=O)c1ccc(N[C@@H](C)c2cn(C)nc2C)c([N+](=O)[O-])c1 71904208 MVWVJTPJQCTYEV-VIFPVBQESA-N 302.334 3.012 5 40 DGBB CCS[C@@H]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 76067694 AVCLUWLDMIAXOT-DZGCQCFKSA-N 322.430 3.270 5 40 DGBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 66547067 NPUPOEAYJOHOJW-LLVKDONJSA-N 304.346 3.150 5 40 DGBB C[C@@H](c1cccnc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 93234944 ZCRSXCVAVMLPCI-NSHDSACASA-N 312.329 3.324 5 40 DGBB CCOCc1cc([N+](=O)[O-])ccc1NCCc1ccccn1 72296194 VTHSCXQPVAQXPI-UHFFFAOYSA-N 301.346 3.181 5 40 DGBB O=C(CC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 89780821 CGJOVXISHKNTOA-UHFFFAOYSA-N 302.252 3.038 5 40 DGBB Cc1ccc([C@@H](C)OC(=O)c2ccncc2F)cc1[N+](=O)[O-] 96460956 JHUSWVQLDCSMBB-SNVBAGLBSA-N 304.277 3.355 5 40 DGBB CC(C)(C)Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 208227 GWXCWZXHWUQIEV-UHFFFAOYSA-N 322.756 3.387 5 40 DGBB CC[C@@H](C)Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 228927315 XSKHUCNIKSTGQR-MRVPVSSYSA-N 322.756 3.387 5 40 DGBB O=C1NC(=S)N/C1=C\c1c2ccccc2cc2ccccc12 2029379 MPCVOKZZRKEXSD-YBEGLDIGSA-N 304.374 3.338 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1 28971 JXTQDOIQMIBEEA-UHFFFAOYSA-N 321.336 3.275 5 40 DGBB biogenic CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2=O 100749364 LDXZVWDUTCKNAD-IRXDYDNUSA-N 316.357 3.319 5 40 DGBB O=[N+]([O-])c1cnn(CCSc2ccnc3ccccc23)c1 74783400 AKASNLRHDBQNBR-UHFFFAOYSA-N 300.343 3.132 5 40 DGBB O=C1CS[C@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 34539251 ACJORJYHSNVFBY-OAHLLOKOSA-N 300.339 3.373 5 40 DGBB CCc1nc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cs1 97104614 XWMYUJZEDNZISH-UHFFFAOYSA-N 311.338 3.374 5 40 DGBB O=C(NCc1ccco1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14258534 SDSAZYDTYXLBFE-UHFFFAOYSA-N 312.281 3.378 5 40 DGBB Cc1ccc2nc(/C=C\c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 4523222 XEAYPRQFBOQKSD-VURMDHGXSA-N 307.309 3.310 5 40 DGBB O=c1c(Cl)c(Cl)cnn1-c1cc(Cl)ccc1[N+](=O)[O-] 4740988 CSNVSZSIVGNIFM-UHFFFAOYSA-N 320.519 3.101 5 40 DGBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1O 3887617 NLUWKKNOXIRINM-CQSZACIVSA-N 312.325 3.291 5 40 DGBB O=C(O)CC1(c2sc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 4668724 USRYZJCHMWDTQQ-UHFFFAOYSA-N 314.319 3.241 5 40 DGBB COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 5513736 YHIOQNNSCFONCU-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB COc1ccc([C@@H](O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 226292012 JMEFOODYKHEDDC-INIZCTEOSA-N 303.314 3.002 5 40 DGBB Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2c1C 12650303 BENRAXOOXGRBLI-UHFFFAOYSA-N 301.327 3.177 5 40 DGBB O=[N+]([O-])c1cn(Cc2ncc(-c3cccc(Cl)c3)o2)cn1 28190372 RYMBKAQSDWWTDW-UHFFFAOYSA-N 304.693 3.148 5 40 DGBB Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2cccc(Br)c2)n1 75211 HNUGYAWIKPZYTP-ZDUSSCGKSA-N 324.178 3.129 5 40 DGBB O=[N+]([O-])c1ccc(OCc2n[nH]c(-c3cccc(F)c3)n2)cc1 62719669 ZWKZJWIJYFKBIA-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB Cc1cc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)c(C)s1 301913245 HNGDPNWVXNYRCD-VIFPVBQESA-N 317.374 3.489 5 40 DGBB O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC=CC1 97371471 ZWORMFVYVPRYKG-UHFFFAOYSA-N 312.778 3.175 5 40 DGBB Cc1csc(C(C)(C)NCCOc2ccccc2[N+](=O)[O-])n1 96443387 NBIWITGLVHHFEC-UHFFFAOYSA-N 321.402 3.263 5 40 DGBB C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cn1cccn1 47405155 MKNLNRAOGKNAHM-GFCCVEGCSA-N 311.345 3.088 5 40 DGBB CC(C)(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-] 100170250 MPUMCCYZSQBTQW-UHFFFAOYSA-N 303.658 3.362 5 40 DGBB O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 36396221 ZAFLAACZZZPTMZ-HNNXBMFYSA-N 312.373 3.066 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 3149738 MXUBCCCJYUCQEM-RMKNXTFCSA-N 313.269 3.155 5 40 DGBB O=[N+]([O-])c1cccc(OCCSc2ccc(Cl)nn2)c1 77902217 FKCHFQJJFQJRNC-UHFFFAOYSA-N 311.750 3.209 5 40 DGBB C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 65567431 MBDDNCHSSDNBGV-ZETCQYMHSA-N 311.750 3.196 5 40 DGBB O=C(NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl 5630762 JXEOBZYJPNBNBI-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB CCc1ocnc1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 83817716 GHGJVXCOJPIZIO-JTQLQIEISA-N 304.302 3.372 5 40 DGBB CCN(c1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 35686014 AEGLNWDVOOHDFV-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CCOc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 40074142 PIJLGQCUECJNIL-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] 85333445 VPNIORGTYKHCGB-LBPRGKRZSA-N 321.377 3.406 5 40 DGBB CN(C)c1ccc(NC2=Nc3ccc([N+](=O)[O-])cc3OC2)cc1 16186495 REMFNXAUDSCOJB-UHFFFAOYSA-N 312.329 3.195 5 40 DGBB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc([N+](=O)[O-])cc1 31536899 ZJOGVGSSNSEXTF-UHFFFAOYSA-N 308.297 3.237 5 40 DGBB O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)CC1CC1 79053726 HUUIYTYWTRLUBN-UHFFFAOYSA-N 316.279 3.399 5 40 DGBB COc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1OC 8317244 FHUFWRNJDSTYNO-UHFFFAOYSA-N 320.330 3.065 5 40 DGBB COc1ccccc1[C@@H](C)Sc1c([N+](=O)[O-])c(C)nn1C 96429793 WDPLGYKAGNNYHC-SNVBAGLBSA-N 307.375 3.499 5 40 DGBB COc1ccc(-c2nc3cc(C)ccn3c2C=O)cc1[N+](=O)[O-] 1527677 JUNSPUNTPCOSPV-UHFFFAOYSA-N 311.297 3.039 5 40 DGBB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 4026857 UMQQXOPMXGZMCZ-GOEBONIOSA-N 318.373 3.016 5 40 DGBB biogenic O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl 225125257 BMSMDYPEWWBHNL-CQSZACIVSA-N 321.716 3.323 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(F)cc1 2736495 BDAKRWXFKDACTC-RMKNXTFCSA-N 300.289 3.064 5 40 DGBB O=[N+]([O-])c1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccc1Cl 43425335 WKSWVRWYGZFDGW-ZFWWWQNUSA-N 310.781 3.392 5 40 DGBB O=[N+]([O-])c1ccc([C@H]2[C@@H]3C(c4ccccc4)=NCCCN23)cc1 31719363 UDBUNCFKPKTASM-IJXZTRCJSA-N 307.353 3.213 5 40 DGBB Cc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1C 226862745 AXPNHDHBZQQPNQ-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 12869255 KRTATNOTKFNEFT-VTBYSCOUSA-N 309.433 3.169 5 40 DGBB O=[N+]([O-])c1cccnc1N(Cc1cccs1)C[C@H]1CCCO1 79109065 REKRFWXMQZPENR-GFCCVEGCSA-N 319.386 3.237 5 40 DGBB O=C(OCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 3425160 DPFHRSRJUDJNEV-UHFFFAOYSA-N 311.677 3.077 5 40 DGBB CC(C)Sc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 7321762 LGWQPUMLYCNWFO-UHFFFAOYSA-N 324.387 3.199 5 40 DGBB COc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 25309879 HNRMAYLMZGEEDT-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)c2nonc12 408602165 AXUKYNYZVGGFHS-UHFFFAOYSA-N 313.298 3.159 5 40 DGBB O=[N+]([O-])c1cccnc1NCc1cccc(CN2CCCC2)c1 32825025 PDWWIFLJTFBSNF-UHFFFAOYSA-N 312.373 3.198 5 40 DGBB C[N+]12CCC(CC1)[C@@H]([C@](O)(c1ccccc1)c1cccs1)C2 204038 RTYCBSXJHMCRFB-LBCUXPGKSA-N 314.474 3.470 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)[C@H]1CCc2ccccc21 58033692 QGPNAFJMQAHPPT-AWEZNQCLSA-N 312.325 3.480 5 40 DGBB COc1ncccc1CNc1ccc([N+](=O)[O-])c2cccnc12 58167265 APYBCQDTXOMLPA-UHFFFAOYSA-N 310.313 3.159 5 40 DGBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 12925191 DWLBMTXOTBDLAD-SECBINFHSA-N 306.268 3.364 5 40 DGBB O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)c1 1303476 OBMCJRVAEQWMOG-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1F 105589401 MQMSPCOMTNSBOI-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=[N+]([O-])c1ccc(N2CC[C@@H](O)c3ccccc3C2)c(F)c1 95467614 ULKJAIVCWSFKPC-MRXNPFEDSA-N 302.305 3.178 5 40 DGBB O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Sc1ccccc1 225126797 WTMKMDLZRCDOAJ-AWEZNQCLSA-N 303.339 3.383 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cn2)c1 69493592 RISYYXSXJXPNGU-UHFFFAOYSA-N 307.306 3.103 5 40 DGBB O=[N+]([O-])c1c(NCCc2cscn2)ccc2ncccc12 71889191 BDLGHSQHWSYSJK-UHFFFAOYSA-N 300.343 3.254 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(F)c1 42096352 TWUSBZZLFHMSLQ-UHFFFAOYSA-N 301.321 3.061 5 40 DGBB O=C(COc1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 3618501 MKYQINDAOLKRCE-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 4134557 RHQCHEWZTQWXMU-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=C(c1ccc(Oc2ncccc2[N+](=O)[O-])cc1)N1CCCC1 69454545 VRWGOUHUHVQLMT-UHFFFAOYSA-N 313.313 3.018 5 40 DGBB CCOc1ccc(-c2ccc(/C=C/C(=O)O)o2)c([N+](=O)[O-])c1 70461198 HLOQGTSFUOBYLL-VMPITWQZSA-N 303.270 3.351 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccnn3[C@@H](C)C[C@H]2C)c1 96425040 FEZVRUURZBYCLR-NEPJUHHUSA-N 314.345 3.100 5 40 DGBB O=C(c1ccccc1)c1conc1C(=O)c1ccc([N+](=O)[O-])cc1 269310 UAQDLKMVGDURCZ-UHFFFAOYSA-N 322.276 3.045 5 40 DGBB CC(=O)Nc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 1710091 AOWNPRCYFUVVLN-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB Cc1cc(NC(=O)c2ccccn2)c2cc([N+](=O)[O-])ccc2n1 95943179 HBPMEVSJVNAEQY-UHFFFAOYSA-N 308.297 3.099 5 40 DGBB Cc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3oc2=O)cc1 102501884 JZMRDQWHRRJYLG-DHDCSXOGSA-N 324.292 3.461 5 40 DGBB Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 100737 GOZMYDAYGPERLQ-HNNXBMFYSA-N 318.354 3.108 5 40 DGBB in-vitro O=C(O[C@@H]1C=C[C@H]2C=C[C@H]3C=C[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 71785731 VYMDTEMQEMYLDP-GHVWTTSJSA-N 309.321 3.294 5 40 DGBB O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1[C@@H]1C[C@@H]2CC[C@@H]1C2 100552668 PJGLHLDSXDQZDA-MMYVAXCBSA-N 318.398 3.357 5 40 DGBB Cc1ccc(NC(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 2643090 UQOSEGFWAWJDBS-NSHDSACASA-N 318.304 3.448 5 40 DGBB CC(C)c1nc(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cs1 78551838 FQFSCIYSEFXHMM-UHFFFAOYSA-N 323.349 3.495 5 40 DGBB Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 13669476 NGXRYFVCKRKRHB-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 32923466 IRBREDNZZBEALS-UHFFFAOYSA-N 306.705 3.400 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C)CC(C)C 58159809 BIWAGWMVJLPMHY-ZDUSSCGKSA-N 307.394 3.208 5 40 DGBB COc1cc(C)sc1C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 72654371 JJWPOHQNZSDXTG-UHFFFAOYSA-N 320.370 3.246 5 40 DGBB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17054287 UJFBSKBKPSREJY-JTQLQIEISA-N 317.370 3.296 5 40 DGBB CCOc1ccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 28294669 CSGZVOXNZSPGMO-UHFFFAOYSA-N 300.314 3.288 5 40 DGBB Cc1cc(N2CCC[C@@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 97083953 NTYCMQGSZCOCML-QGZVFWFLSA-N 315.373 3.050 5 40 DGBB CCn1ncc([N+](=O)[O-])c1C(=O)NC1CCC(C(C)(C)C)CC1 2782505 QVZVDZGAGCVYSW-UHFFFAOYSA-N 322.409 3.146 5 40 DGBB O=[N+]([O-])c1ccc(OCCCn2ncc3c2CCCC3)cc1 97022311 JVIXVNZSDGBQFZ-UHFFFAOYSA-N 301.346 3.139 5 40 DGBB Cc1cccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1[N+](=O)[O-] 110532158 BIZXMRGKBNBOEZ-UKTARXLSSA-N 302.374 3.458 5 40 DGBB Cc1cc(-c2nnc(NCc3ccc([N+](=O)[O-])cc3)o2)c(C)o1 195562471 CKFFKWRUHTUCMZ-UHFFFAOYSA-N 314.301 3.467 5 40 DGBB CN1c2ccc(Cl)cc2C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 94319 HXRSSUHPZPMTAE-GFCCVEGCSA-N 323.761 3.188 5 40 DGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc21 8914424 JQIDGDVYHQVLHE-UHFFFAOYSA-N 315.373 3.310 5 40 DGBB CC(=O)N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4675406 NLTYRXSPRBUXDZ-UHFFFAOYSA-N 301.258 3.188 5 40 DGBB COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 6268005 ALHBLOCYGMXXCD-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C 72302473 RLQOQSJLVWSRMF-LSDHHAIUSA-N 314.389 3.409 5 40 DGBB COCC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccc(C)o1 95465744 LTKRGCOQXUFDAE-GFCCVEGCSA-N 305.334 3.389 5 40 DGBB CC(=O)c1csc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 95436575 ZHFWZUMTCONMPE-UHFFFAOYSA-N 304.327 3.136 5 40 DGBB Cc1c2cc[n+](CCO)cc2c(C)c2c1[nH]c1ccc(O)cc12 1570311 OGJKKSSRFGONJE-UHFFFAOYSA-O 307.373 3.077 5 40 DGBB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 8556018 RQEOCWIWZTXSEM-UHFFFAOYSA-N 315.782 3.107 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1Cc1ccccc1 32904253 OFPFMPNELLWUAM-ZDUSSCGKSA-N 300.314 3.035 5 40 DGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 33191546 LDHPANIVLRHPBL-LURJTMIESA-N 300.723 3.394 5 40 DGBB CNC(=O)c1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])cc1 79159775 QXVYYIAOZCVSSC-UHFFFAOYSA-N 319.748 3.220 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1coc(-c2c(F)cccc2F)n1 95433591 OAWXTBFUJXSLQI-UHFFFAOYSA-N 320.255 3.081 5 40 DGBB CCO[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 96432496 LNNFKSVXSZOPBB-LSDHHAIUSA-N 318.373 3.062 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1C 216806209 BVNULDQXKYSDFT-UHFFFAOYSA-N 301.298 3.269 5 40 DGBB Cc1cnc2ccc(C)c([N+](=O)[O-])c2c1NCCCN(C)C 1625759 ROVRIHQAUQJTMP-UHFFFAOYSA-N 302.378 3.123 5 40 DGBB CN(C)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1 4366006 CTNSDXYNBRJDTF-UHFFFAOYSA-O 315.400 3.313 5 40 DGBB COc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 3192530 HNLRCYHXSBYQHM-UHFFFAOYSA-N 320.732 3.438 5 40 DGBB COc1ccccc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 4995326 CAXMVQQULDWQKQ-UHFFFAOYSA-N 312.281 3.453 5 40 DGBB CNc1ccc(CN[C@H](C)c2ccccc2OC)cc1[N+](=O)[O-] 71792490 RIGBXMZWWLSAQI-GFCCVEGCSA-N 315.373 3.496 5 40 DGBB Cc1noc(C)c1CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 189723776 ATQLINBSKMVPCV-UHFFFAOYSA-N 309.753 3.485 5 40 DGBB COC(=O)c1ccc(-n2cncc2-c2cccc([N+](=O)[O-])c2)cc1 585295183 OWVWWBPRNOSFCA-UHFFFAOYSA-N 323.308 3.234 5 40 DGBB Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] 6520591 UZBACBWFGXOLJT-UHFFFAOYSA-N 303.343 3.101 5 40 DGBB C[C@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 29187175 DEFWEJHUKMLSDK-QMMMGPOBSA-N 316.342 3.066 5 40 DGBB CCCO[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 83206573 REUIXBRRZKNBTG-CYBMUJFWSA-N 319.361 3.127 5 40 DGBB C[C@H](C[S@@](C)=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 129615908 BPMXVGXEUDFJOW-DMWPKQFHSA-N 311.190 3.081 5 40 DGBB C[N+]1(Cc2ccccc2)CC[C@@]2(C(=O)O)C[C@@H]1Cc1ccccc12 1870385 ZSTKHFZJJDBRBJ-UTCGOKLKSA-O 322.428 3.374 5 40 DGBB Cc1ccc(-c2noc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 7365882 CWNKXMSKORPBQQ-UHFFFAOYSA-N 314.326 3.499 5 40 DGBB O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1 3150098 PKXMKANXITUNGQ-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB CCOc1ccccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)O 39983759 PMTFEGCYGNLDJD-BQYQJAHWSA-N 314.297 3.257 5 40 DGBB O=C(Nc1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 13608755 MDUFSEVLYDCCJL-UHFFFAOYSA-N 311.341 3.440 5 40 DGBB CC(C)CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C 32926823 LBQBYTRVJHGIJA-UHFFFAOYSA-N 317.393 3.177 5 40 DGBB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 4677741 SQJVQCAZMPJVSB-UHFFFAOYSA-N 301.302 3.040 5 40 DGBB Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1F 6060845 OOOXUNJONYBIOA-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB O=[N+]([O-])c1ccc(N2CCCN(Cc3cccs3)CC2)s1 64029496 FDCQCHRXAJCNLN-UHFFFAOYSA-N 323.443 3.430 5 40 DGBB Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)ccc1[N+](=O)[O-] 71899466 XYVVOTCNRJZVQH-UHFFFAOYSA-N 319.405 3.352 5 40 DGBB COc1cccc(CCNc2nn(C(C)C)cc2[N+](=O)[O-])c1 95098550 YUODJDADJKPPNW-UHFFFAOYSA-N 304.350 3.035 5 40 DGBB CN(C(=O)[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 95973862 YHPMQZWMCZTMPI-OAHLLOKOSA-N 312.325 3.124 5 40 DGBB CC(C)CCC[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 6906666 RNFPODJMFZDGSO-GDBMZVCRSA-N 324.421 3.139 5 40 DGBB O=[N+]([O-])c1cccc(CNc2nc(-c3cccs3)n[nH]2)c1 9667654 VUARTKUGTJXHFB-UHFFFAOYSA-N 301.331 3.054 5 40 DGBB Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F 25425510 WFGTXGXNCSFRNY-LLVKDONJSA-N 317.320 3.481 5 40 DGBB COc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1[N+](=O)[O-] 97370217 AMYZKBCTVYZRPZ-UHFFFAOYSA-N 311.297 3.337 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]23C 100631946 KSTMBVIMPFZXMJ-HSHDSVGOSA-N 316.357 3.129 5 40 DGBB CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCCC1 46354042 QLYWDYZVAGTSKH-UHFFFAOYSA-N 316.361 3.266 5 40 DGBB Cn1cnc([N+](=O)[O-])c1Oc1ccc(Oc2ccccn2)cc1 58378531 DTUDLFVYRBHVBG-UHFFFAOYSA-N 312.285 3.308 5 40 DGBB Cc1cc(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 12925032 IYNZPEJHACISAT-JTQLQIEISA-N 304.306 3.116 5 40 DGBB COc1ccc(-c2ccc(C(=O)OC(C)C)o2)c([N+](=O)[O-])c1 40544799 WDPLEOKEUAYQNV-UHFFFAOYSA-N 305.286 3.429 5 40 DGBB Cc1ccsc1-c1nc(N)c2c(=O)oc3ccccc3c2n1 226758372 JYMCGFSBYPQCML-UHFFFAOYSA-N 309.350 3.355 5 40 DGBB O=[N+]([O-])c1ccccc1CSc1nnc(N2CCCC2)s1 52911604 JANBYQSQBRKAFJ-UHFFFAOYSA-N 322.415 3.339 5 40 DGBB O=C(N[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21)C(F)(F)F 2044523 MZJXCBAWVCEQBD-CYBMUJFWSA-N 322.242 3.343 5 40 DGBB COc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1NC(C)=O 24214369 GZYOKLKSNIESHA-UHFFFAOYSA-N 319.292 3.445 5 40 DGBB O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(F)cc1[N+](=O)[O-] 95965232 CQBSPGYQXPGRJJ-UHFFFAOYSA-N 318.308 3.367 5 40 DGBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1 1726241 FQSWRXFTMLLUTG-UHFFFAOYSA-N 306.705 3.266 5 40 DGBB COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cc2)cc1OC 4859562 LBIHMENCZUXBEO-UHFFFAOYSA-N 316.357 3.291 5 40 DGBB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 76067388 BXPMRTTXBILWHB-TZMCWYRMSA-N 308.403 3.341 5 40 DGBB Cc1cnc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 79737936 WCJZLKRCNZLRJC-UHFFFAOYSA-N 319.386 3.333 5 40 DGBB Cc1ccc(C(=O)OCC(=O)c2cccs2)cc1[N+](=O)[O-] 3387487 VDDUNBPIBGSRAY-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB O=c1[nH]c2c([N+](=O)[O-])cc(Br)cc2c2ccccc12 8649790 SFUMLRQZZCPMSA-UHFFFAOYSA-N 319.114 3.352 5 40 DGBB Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F 25167059 LFQNOXZMWGXPAL-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc([N+](=O)[O-])c1 14017604 JIIWWCHNBPXZCQ-UHFFFAOYSA-N 320.308 3.304 5 40 DGBB C[C@H](c1ccco1)N(C(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 97080954 SMWAYDTWSSUZCM-SNVBAGLBSA-N 316.317 3.340 5 40 DGBB Cc1ccccc1OCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 55954190 JEHWVMFTZFIUIG-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=O 100932115 PUTUBXBUKPQVCP-IRXDYDNUSA-N 316.357 3.319 5 40 DGBB CCCc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 14255986 VLNIRTQSFMVXGF-UHFFFAOYSA-N 320.370 3.348 5 40 DGBB Cc1ccc(CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])s1 69571217 RGNNKTFQUBZPSA-UHFFFAOYSA-N 319.386 3.306 5 40 DGBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1 5091294 ASWCLHBERNHUCB-SNVBAGLBSA-N 316.365 3.229 5 40 DGBB Cc1ccc(C(=O)[C@H](C)Oc2ccc(C)nc2[N+](=O)[O-])cc1 4891994 FRFFGMIREKXFRS-LBPRGKRZSA-N 300.314 3.257 5 40 DGBB Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] 32842096 MOJKRABUWPQAEP-MRXNPFEDSA-N 311.341 3.276 5 40 DGBB O=C(O[C@H]1C=CCCC=CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6091079 XILVNCHRNLBBKU-CQSZACIVSA-N 318.285 3.325 5 40 DGBB CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 5316406 NLLHXVBITYTYHA-UHFFFAOYSA-N 307.228 3.368 5 40 DGBB CCOC[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc23)C1 97083902 QOHZVLRPDVDJAW-CYBMUJFWSA-N 315.373 3.314 5 40 DGBB CC(C)CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 71800844 VGSOAWQIQUWKBD-UHFFFAOYSA-N 307.394 3.339 5 40 DGBB CC(=O)c1ccc(Oc2cccc(-n3cncn3)c2)c([N+](=O)[O-])c1 75142763 AIPZXJXZVZICNY-UHFFFAOYSA-N 324.296 3.170 5 40 DGBB CCN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 4084363 ZZZLWUOGTQWVCS-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCc1ccccc1 5443618 FHXVRUCKNYZXQJ-VAWYXSNFSA-N 310.353 3.357 5 40 DGBB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 12770075 RVPWOHRYQCOCJB-UHFFFAOYSA-N 316.191 3.339 5 40 DGBB CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 32642536 HURDGHYVSRSKCN-UHFFFAOYSA-N 322.324 3.057 5 40 DGBB O=C(CCc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1 32816263 CMLMJCNMQCUHND-UHFFFAOYSA-N 306.268 3.444 5 40 DGBB O=[N+]([O-])c1ccc(CNc2nnc(C(F)(F)F)s2)cc1 97114436 LMWZDJITOWGQBT-UHFFFAOYSA-N 304.253 3.077 5 40 DGBB CSc1ncc2snc(-c3ccc([N+](=O)[O-])cc3)c2n1 575362713 SMQAOZZNJSFAQG-UHFFFAOYSA-N 304.356 3.383 5 40 DGBB C[C@@H]1C[N+]2(CCCCC2)C[C@](O)(c2ccc3ccccc3c2)O1 162696 CSBRGCIERQWWEN-OXQOHEQNSA-N 312.433 3.404 5 40 DGBB O=[N+]([O-])c1cccc(NCc2nc(Cc3ccccc3)no2)c1 55824478 XZDNFONUXXIZFS-UHFFFAOYSA-N 310.313 3.181 5 40 DGBB CCS(=O)(=O)c1cccc(NCc2cccc([N+](=O)[O-])c2)c1 96427548 QMNRORNZBUXRRT-UHFFFAOYSA-N 320.370 3.001 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20105236 VQBSBMPORYDSMU-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1[C@H](C)CCC[C@H]1C 29750839 ZPMPYOUVFXSMQU-CHWSQXEVSA-N 320.389 3.380 5 40 DGBB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 120809542 JJGQGUDIWOVXCX-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB Cc1cc(N2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] 77227032 JINTZSYZTHUEHN-UHFFFAOYSA-N 320.389 3.068 5 40 DGBB CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 46179657 UHSWDLGXAKKARD-UHFFFAOYSA-N 314.341 3.314 5 40 DGBB CCO[C@@H](C)c1nc(COc2cccnc2[N+](=O)[O-])cs1 96424825 ATAHJPKBFRWWTB-VIFPVBQESA-N 309.347 3.123 5 40 DGBB Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccc(Br)cc2)n1 75231 SKKIDMSNADLCMB-ZDUSSCGKSA-N 324.178 3.129 5 40 DGBB Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1[N+](=O)[O-] 12553353 OYNQTIAZVWOIMQ-UHFFFAOYSA-N 300.314 3.301 5 40 DGBB O=c1ccn(CCCOc2ccc([N+](=O)[O-])cc2)c2ccccc12 72294834 JPZRQQIRAPQXLJ-UHFFFAOYSA-N 324.336 3.379 5 40 DGBB O=[N+]([O-])c1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 3584795 HASVJARVLUMBPE-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@H]1COc2ccccc21 84086167 MUWRXNWVLSXMCS-AWEZNQCLSA-N 312.325 3.326 5 40 DGBB CCOC(=O)[C@@H](C)c1ccc(Br)cc1[N+](=O)[O-] 328578465 MDXFOLOHSHKMCP-ZETCQYMHSA-N 302.124 3.024 5 40 DGBB C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F 44314177 JCGRZSWZCGYGLV-ZETCQYMHSA-N 312.297 3.426 5 40 DGBB CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 96012855 SVLQVUUONXBFNQ-KRWDZBQOSA-N 314.385 3.368 5 40 DGBB CCOc1ccccc1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 5158543 PNYCZIXWKNKHFO-UHFFFAOYSA-N 302.286 3.435 5 40 DGBB O=[N+]([O-])/C=C\c1cc(Br)c(O)c(Br)c1 5370972 CTJGBTQBMJYEIT-UPHRSURJSA-N 322.940 3.165 5 40 DGBB Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 13675854 WKLHWDFUKZEHNG-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB O=[N+]([O-])c1cnccc1N1CC[C@H](COCc2ccccc2)C1 76063766 VLMKJOLQEHYHNB-HNNXBMFYSA-N 313.357 3.033 5 40 DGBB Cc1cc(N[C@@H](c2nc(C3CC3)no2)C(C)C)ncc1[N+](=O)[O-] 95421418 FKGTYHJZEDXICG-CYBMUJFWSA-N 317.349 3.368 5 40 DGBB C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@H]12 345514 HYWTWHWYNWLRLS-UAGQMJEPSA-N 319.357 3.395 5 40 DGBB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 360083 UMQQXOPMXGZMCZ-HOCLYGCPSA-N 318.373 3.016 5 40 DGBB biogenic O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc2c(c1)OCO2 4078837 VWJUKIQQLGPJHK-GORDUTHDSA-N 318.310 3.037 5 40 DGBB CC(=O)c1ccc(NCc2ccc(CO)c(F)c2)c([N+](=O)[O-])c1 53601964 SVRWDEZQBJMTLH-UHFFFAOYSA-N 318.304 3.041 5 40 DGBB O=[N+]([O-])c1ccc(-c2csc(N3CCSCC3)n2)cc1 58424209 LAFICBMZTCXTHE-UHFFFAOYSA-N 307.400 3.272 5 40 DGBB Cc1ccc([C@@H](C)NC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] 95422948 IGUGHRHMWZZBNO-IAQYHMDHSA-N 306.387 3.349 5 40 DGBB O=[N+]([O-])c1ccc(CO[C@H]2C[C@@H]3[C@H]4CC[C@@H]4[C@H]23)c([N+](=O)[O-])c1 104286429 LCQCZRRBUXXKQU-QIRZIZBZSA-N 304.302 3.064 5 40 DGBB Cc1cccc(C)c1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224997125 DPSJEJCFSOFQEA-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 2679923 MTIURMOKUIXZIC-ZDUSSCGKSA-N 324.421 3.139 5 40 DGBB Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 4059580 VBHMOAADECRLIB-UHFFFAOYSA-N 300.105 3.017 5 40 DGBB CN(C)c1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 20897591 AXNHJXXJTRRQIS-UHFFFAOYSA-N 310.313 3.378 5 40 DGBB COc1ccccc1[C@H](CNc1ccccc1[N+](=O)[O-])N(C)C 25277899 HVQCPJCEIWLBKH-INIZCTEOSA-N 315.373 3.318 5 40 DGBB O=C(Cn1nccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2 47169426 IEJWSUMMGJIBEY-UHFFFAOYSA-N 319.320 3.245 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nc(C(F)(F)F)n[nH]2)cc1 78406535 OBPYKTNAGHRMFU-UHFFFAOYSA-N 304.253 3.024 5 40 DGBB COCc1nc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 79085452 PSPURUHUYLQMNT-VIFPVBQESA-N 322.342 3.116 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC(F)(F)F 84147831 KQNOFMBONUDXOP-UHFFFAOYSA-N 305.256 3.286 5 40 DGBB O=C(NCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 6305331 AUSPUSGCZIASAJ-UHFFFAOYSA-N 322.723 3.360 5 40 DGBB CCOc1ccc(NC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 5475289 IOBHKUVWFQNQBM-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB CSc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1[N+](=O)[O-] 5824438 DKIUSQQQKZQADW-UHFFFAOYSA-N 320.370 3.490 5 40 DGBB CC[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 74241809 YQXLKLCIHLYWKV-MRVPVSSYSA-N 304.268 3.484 5 40 DGBB CCSc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccn1 69563584 WYEOEJDBEQYLRW-UHFFFAOYSA-N 317.370 3.378 5 40 DGBB CCOCCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 47338580 OKLMJWMDJCALGJ-UHFFFAOYSA-N 315.757 3.186 5 40 DGBB Cc1ccc(C)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 8175022 SCHHQJILIHAENV-UHFFFAOYSA-N 313.357 3.054 5 40 DGBB Cc1nn(CCC(=O)NC2(C)CCCCCC2)c(C)c1[N+](=O)[O-] 69414720 NNPVPJKOBHXLKS-UHFFFAOYSA-N 322.409 3.027 5 40 DGBB CCO[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 75492717 NSGGWPUALJFLCL-KBPBESRZSA-N 319.361 3.064 5 40 DGBB COc1cc(C(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC 3850637 ZCBGLAZPLNVFAR-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB biogenic Cc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1[N+](=O)[O-] 32644158 LZRBOCKQAZRUSW-ZDUSSCGKSA-N 314.341 3.447 5 40 DGBB Cc1ccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])cc1C 408718705 ZAPRBLLWGDVDBR-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB COc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(OC)c1 6378434 AYZOWDKTNOGTMC-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB COc1cccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)c1 7141115 NAIKQWPAFZRNPT-CMDGGOBGSA-N 313.309 3.360 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1O 8051519 SLZOWLVCFCTBOT-UHFFFAOYSA-N 306.705 3.135 5 40 DGBB CC(C)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 4746598 UKDZCAITQBTWJQ-UHFFFAOYSA-N 312.325 3.390 5 40 DGBB O=[N+]([O-])c1cccc(CNCc2ccc(OC(F)F)cc2)c1 58007793 PSSATRQGHRSQQV-UHFFFAOYSA-N 308.284 3.486 5 40 DGBB NC(=O)c1cccc(CSCc2cccc([N+](=O)[O-])c2)c1 89774463 CIRGFBWLDNVVHK-UHFFFAOYSA-N 302.355 3.127 5 40 DGBB Cc1ccc(NC(=O)NCc2ccccc2F)cc1[N+](=O)[O-] 43148614 ISJMLEDRBNIASE-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCC1=CCCCC1 223407361 IUMMDJURUUIDPT-UHFFFAOYSA-N 320.414 3.445 5 40 DGBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1F 197175 PYXWZUHEGXBNBU-ZROIWOOFSA-N 312.256 3.078 5 40 DGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 375196 BYDVDWPYIVAHTA-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 348126 OZXDXCPXAFNROX-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB COc1cc(C(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC 5363241 DYIWPLKXAPJJBB-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 6832203 CTZVRBCVNIAANR-LLVKDONJSA-N 315.329 3.043 5 40 DGBB Cc1nn(Cc2nc(-c3ccccc3)oc2C)c(C)c1[N+](=O)[O-] 12238842 COQWVWHCAJMRHD-UHFFFAOYSA-N 312.329 3.420 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)C1CC1 16499780 UURSXDUFMDHGRG-UHFFFAOYSA-N 312.329 3.186 5 40 DGBB CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2ncccc12 89844373 NJWFGPCNIISOSX-UHFFFAOYSA-N 321.336 3.349 5 40 DGBB Cc1nn([C@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 4568441 OODFVHIHMVBGKN-SNVBAGLBSA-N 322.752 3.261 5 40 DGBB O=C(NCC1(c2ccccc2)CCC1)c1cccc([N+](=O)[O-])c1 11177866 UCMFDEGISWGPOP-UHFFFAOYSA-N 310.353 3.447 5 40 DGBB CCn1ccnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 83091802 WRNQIWGSVPOWAI-UHFFFAOYSA-N 304.331 3.245 5 40 DGBB CC(=O)Nc1cc(NCCc2ccc([N+](=O)[O-])cc2)ccc1F 97113992 AQSHWXOQZFKCOD-UHFFFAOYSA-N 317.320 3.347 5 40 DGBB O=C1COc2ccc(Cl)cc2N1Cc1cccc([N+](=O)[O-])c1 408607485 SPIZAFYQNLHKDS-UHFFFAOYSA-N 318.716 3.174 5 40 DGBB O=Cc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1 1748665 BGVNKUQUVOXZNS-UHFFFAOYSA-N 301.298 3.255 5 40 DGBB CC1(C)[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@]1(C)C(=O)C2 4870044 PUTUBXBUKPQVCP-DLBZAZTESA-N 316.357 3.319 5 40 DGBB C[C@@H](NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 55329157 DABNRLQIXXLCEM-SNVBAGLBSA-N 305.359 3.217 5 40 DGBB Cc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 59459361 KFDMXYDKIFWLCN-UHFFFAOYSA-N 310.309 3.008 5 40 DGBB CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 69809658 HVTAHNBPBZGRII-LBPRGKRZSA-N 319.386 3.170 5 40 DGBB Cc1ccc(C)c(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 8054738 YLMVCRVXBNCHJG-UHFFFAOYSA-N 320.370 3.359 5 40 DGBB O=[N+]([O-])c1ncccc1OCc1ccccc1Br 7045105 OGPUMXYISZDVJC-UHFFFAOYSA-N 309.119 3.331 5 40 DGBB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 355844 RUYNVXOHCVPVKK-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB Cc1cc(C)n(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])n1 4608444 RAORYZMXHDJKCF-UHFFFAOYSA-N 300.362 3.388 5 40 DGBB CC(C)C[C@@H](C)N(C)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 31409565 MCDUXZRPZWDZKS-GFCCVEGCSA-N 307.394 3.167 5 40 DGBB CN(Cc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 32825145 ZNLNVMYZSQCBLH-UHFFFAOYSA-N 324.340 3.277 5 40 DGBB CCN(CC)c1c(Br)cc([N+](=O)[O-])cc1OC 45958907 CTGPXGHVOSZFDX-UHFFFAOYSA-N 303.156 3.212 5 40 DGBB CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])o1 23932079 IZQWRXRMUNFWKG-UHFFFAOYSA-N 317.326 3.070 5 40 DGBB Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] 12888380 JLANIODMIJQYRR-CQSZACIVSA-N 312.325 3.157 5 40 DGBB Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 4611183 YFJHHVPVQIQXEF-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1N(CC)CC 34925906 NGZPJODLOJQMEG-UHFFFAOYSA-N 317.345 3.166 5 40 DGBB Cc1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 5002639 SGBHUAGDQFUFGA-UVTDQMKNSA-N 308.293 3.248 5 40 DGBB O=C(NCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 18214460 FMSHYSSXOBPHHD-UHFFFAOYSA-N 302.355 3.117 5 40 DGBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 7037284 CMLFMSVQZAJFND-INIZCTEOSA-N 314.341 3.485 5 40 DGBB O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1ccc[nH]1 44977905 BKDRQLUOJXSISW-AWEZNQCLSA-N 301.346 3.139 5 40 DGBB COc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1[N+](=O)[O-] 12971611 ZTBQVWGPADINSC-UHFFFAOYSA-N 316.313 3.001 5 40 DGBB Cc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 21785119 BIDYMPKWUAMULI-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=[N+]([O-])c1ncccc1OCc1cc(Cl)cc2c1OCOC2 7545100 CKQNJZKHKSFSEB-UHFFFAOYSA-N 322.704 3.089 5 40 DGBB O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1Cl 3882690 KNTBNAOLWQTVFT-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB Cc1cccc(Nc2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])c1 5164029 OMGZIZNRQVMPIO-UHFFFAOYSA-N 316.365 3.087 5 40 DGBB CN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 9368950 SUSIDRHWPKACCI-UHFFFAOYSA-N 323.702 3.019 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](N2CCCC2)C1 58279910 DMNPMSVBKAIBLM-ZDUSSCGKSA-N 309.797 3.313 5 40 DGBB O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(C1CCCC1)C1CC1 67969835 OHBOZGXFJJKKTE-UHFFFAOYSA-N 310.300 3.420 5 40 DGBB Cc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 30861834 RSWSUIHSRXUGER-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB O=[N+]([O-])c1cccc(OCCN2CCc3sccc3C2)c1 46054765 SOICKSRDBZDQEL-UHFFFAOYSA-N 304.371 3.093 5 40 DGBB CCOC(=O)c1nc(Nc2cccc([N+](=O)[O-])c2)sc1C 604941564 BPYSVVYXRZZXBU-UHFFFAOYSA-N 307.331 3.280 5 40 DGBB COC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 424993 YVHLACWKRYLQAU-UHFFFAOYSA-N 309.350 3.485 5 40 DGBB O=[N+]([O-])c1cc(Oc2ccc(Cl)cc2)cc(-n2cnnn2)c1 12374639 UXRMMPIMJMSZRJ-UHFFFAOYSA-N 317.692 3.016 5 40 DGBB O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CCC[C@@H]1O 95437095 RFRABLISFHDZQD-HZMBPMFUSA-N 321.764 3.369 5 40 DGBB COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 97096130 CHMLVEALQZJBFG-CYBMUJFWSA-N 319.317 3.005 5 40 DGBB O=C(NC1CC1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408977950 ZYHDRXLRFBRZEG-UHFFFAOYSA-N 302.337 3.157 5 40 DGBB COc1ccc(-c2cc3c(=O)[nH]c4ccccc4c3nn2)cc1 6666574 YVFGTEAJSQEIAR-UHFFFAOYSA-N 303.321 3.147 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)c(Cl)c1 7781272 HBSJMMUWZSJGOC-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 44979677 BQGNVNAVWJQXLW-UHFFFAOYSA-N 301.346 3.481 5 40 DGBB Nc1nc(Nc2ccc(SC(F)F)cc2)ncc1[N+](=O)[O-] 71285552 DWMADBIDRFCKLA-UHFFFAOYSA-N 313.289 3.025 5 40 DGBB Cc1csc(N(C(=O)c2ccccc2[N+](=O)[O-])C2CC2)n1 84268392 CNMSHACIAGSACQ-UHFFFAOYSA-N 303.343 3.169 5 40 DGBB CC(C)c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1 95432405 KIZZOOHDUJFHLQ-UHFFFAOYSA-N 316.361 3.266 5 40 DGBB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 147188009 NGEVAZIADBQPGZ-LBPRGKRZSA-N 321.377 3.088 5 40 DGBB CCCCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 408710482 SFNKQAJTXFJQCB-UHFFFAOYSA-N 306.347 3.242 5 40 DGBB O=Cc1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 16449395 DVKBCGYJNHRFAU-UHFFFAOYSA-N 303.295 3.257 5 40 DGBB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])o1 46726478 AZFUVFDWNFUSDN-VIFPVBQESA-N 308.721 3.202 5 40 DGBB O=C([C@H]1CCOc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] 78149312 QWJPRUUSDMYBAZ-ZDUSSCGKSA-N 324.336 3.050 5 40 DGBB CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224996653 YRJYWGITUCRBPW-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CCn1cc(Br)c(-c2ccc(F)c([N+](=O)[O-])c2)n1 249684582 DSNSJFYJIVEQDA-UHFFFAOYSA-N 314.114 3.380 5 40 DGBB COc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC 1732594 ALYIWNVTRFOTTN-UHFFFAOYSA-N 317.301 3.256 5 40 DGBB CCOc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 2757064 AAEBTUPYEHAIED-UHFFFAOYSA-N 300.314 3.175 5 40 DGBB O=C(Nc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 8778627 XEIKDDUUGQQYRN-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB Cc1c(C(=O)NCCSC2CCCC2)cccc1[N+](=O)[O-] 40082564 ATSBHDMROCFXCM-UHFFFAOYSA-N 308.403 3.309 5 40 DGBB O=C(Nc1cccc2c(=O)c3ccccc3[nH]c12)c1ccncc1 223813338 NIIRANNDOFMZQZ-UHFFFAOYSA-N 315.332 3.329 5 40 DGBB COc1ccc(-c2nn(-c3ccccc3)cc2C=O)c([N+](=O)[O-])c1 526052182 BOEORSGHZPQGSL-UHFFFAOYSA-N 323.308 3.269 5 40 DGBB CN(CC1CCCCC1)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 12546082 SWVIWQDMYCLFPP-UHFFFAOYSA-N 319.405 3.313 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 14307455 NZRILRFZZYHFRI-UHFFFAOYSA-N 323.356 3.250 5 40 DGBB Cc1nn(Cc2csc(-c3ccco3)n2)c(C)c1[N+](=O)[O-] 25432387 PHTYMFJTFZJJDY-UHFFFAOYSA-N 304.331 3.173 5 40 DGBB Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1c1ccc(Cl)cc1 32779308 QVVGWNHYUACIDM-GFCCVEGCSA-N 306.753 3.323 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1ccc(F)cc1 32904260 YJUHIPRYLXLPAV-LBPRGKRZSA-N 304.277 3.304 5 40 DGBB CCc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4289713 DJRRZERDROOEKD-UHFFFAOYSA-N 320.370 3.266 5 40 DGBB CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 5541238 JPXMGIGZCIEAQD-UHFFFAOYSA-N 313.313 3.114 5 40 DGBB CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 20460810 VNCVFFWHSJCTIO-UHFFFAOYSA-N 314.341 3.312 5 40 DGBB Cc1nc(Nc2cccc(F)c2)nc(N2CCCC2)c1[N+](=O)[O-] 36708807 WZEHIDREQRLITQ-UHFFFAOYSA-N 317.324 3.176 5 40 DGBB O=S(=O)(c1ccccc1)c1cccc2c[n+]3ccccc3cc12 1653690 RMXYJMGNZWCWCI-UHFFFAOYSA-N 320.393 3.411 5 40 DGBB COc1ccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)cc1 31546777 ZOIYLEJBQHKRQY-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 67802957 FKSGUKJMHNSTRM-UHFFFAOYSA-N 307.309 3.341 5 40 DGBB CCSc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 102832916 YLLLLKVMXKOVJQ-UHFFFAOYSA-N 317.370 3.378 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 452682 XJMWFVSZQMKZIL-GZBFAFLISA-N 320.414 3.133 5 40 DGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5979368 LQNNXZWJGYGFGS-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12 9328417 SEZLMBIZTULNJE-UHFFFAOYSA-N 309.325 3.331 5 40 DGBB Cc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1 31546727 SJOARRQVIJMDST-UHFFFAOYSA-N 300.314 3.311 5 40 DGBB O=[N+]([O-])c1c(F)cccc1NC1CCN(c2ccccn2)CC1 57138688 SZDWJLMMJWXWAQ-UHFFFAOYSA-N 316.336 3.210 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccncc1 69846008 VJKGSQMIWXSKEX-ZDUSSCGKSA-N 313.357 3.142 5 40 DGBB Cc1c(NC(=S)NC(=O)c2ccccc2)cccc1[N+](=O)[O-] 491537 QXELWZWZGNJNDG-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB CCOC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1 1604134 HFKACMRSMAREGH-OAHLLOKOSA-N 306.362 3.075 5 40 DGBB Cc1c(C(=O)NCCc2ccc(F)cc2)cccc1[N+](=O)[O-] 4598795 HWVOUEAPCJWMSQ-UHFFFAOYSA-N 302.305 3.015 5 40 DGBB CSc1ccc(C(=O)Nc2ncccc2C)cc1[N+](=O)[O-] 9316368 XPUJNFQPUSSXFA-UHFFFAOYSA-N 303.343 3.272 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)cc1 15288811 JDOUVULRLANIAI-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(C)o1 33286416 HAYCODFHXNYISB-VURMDHGXSA-N 302.286 3.157 5 40 DGBB Cn1ccnc1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 72287417 YYTZKQVHDUWEDK-UHFFFAOYSA-N 322.324 3.248 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1 343988 RTMOHIUWLIAADG-WWKKGYIRSA-N 318.437 3.261 5 40 DGBB COc1ccc(OCc2cc(C)ccc2OC)c([N+](=O)[O-])c1 5319311 GLPNVHONRFQSHJ-UHFFFAOYSA-N 303.314 3.499 5 40 DGBB CC[C@H](C(=O)Nc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C 75128272 NCDSWDMQDJBNAK-NSHDSACASA-N 321.308 3.471 5 40 DGBB O=[N+]([O-])c1c(Cl)cc(Br)nc1Br 167032774 QRXWPXAALPTEFY-UHFFFAOYSA-N 316.336 3.168 5 40 DGBB Cc1cc(C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 1728606 FXNSMYHOUQAPRW-UHFFFAOYSA-N 321.354 3.288 5 40 DGBB COCc1nc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cs1 65047614 PSPURUHUYLQMNT-SECBINFHSA-N 322.342 3.116 5 40 DGBB O=C(NCc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 72331450 LSVRTOBXGSPWIO-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB Cc1cc(NC[C@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 96008410 ZANJDFQIYLHJCV-HNNXBMFYSA-N 313.313 3.190 5 40 DGBB O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1[C@@H]1C[C@H]2CC[C@H]1C2 101142053 PJGLHLDSXDQZDA-FNNPODNZSA-N 318.398 3.357 5 40 DGBB COc1ccc(C)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 8328648 STLIKJKSPLWXBA-QPJJXVBHSA-N 302.286 3.157 5 40 DGBB COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC 8771870 GVDFCIQBNKRLIG-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O[C@H](COc1ccccc1)C[N+]1(Cc2ccccc2)CCCC1 36640173 MHVBVESFRSZIPV-IBGZPJMESA-N 312.433 3.237 5 40 DGBB O=C(CCN1CCCCCCC1)Nc1cccc([N+](=O)[O-])c1 41886501 FIEGZWOXFZENLX-UHFFFAOYSA-N 305.378 3.190 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccccc1 68882 BPOOLPNNTLALBB-INIZCTEOSA-N 314.366 3.483 5 40 DGBB COc1ccc(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 5538986 OHQWNEZPGHCEAK-UHFFFAOYSA-N 300.314 3.093 5 40 DGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 6125203 TUZHRZBDJDHQHY-VIFPVBQESA-N 305.721 3.134 5 40 DGBB CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ccccc1 169235162 FVBDTVJKDVTINR-UHFFFAOYSA-N 300.314 3.384 5 40 DGBB O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 225125439 AXZPTCNGEGOZJT-CQSZACIVSA-N 321.716 3.323 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 3515201 ROPQXOZYWISXEE-JTQLQIEISA-N 304.277 3.140 5 40 DGBB COc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4550104 YJVWLNNTEKWXPI-UHFFFAOYSA-N 319.273 3.264 5 40 DGBB CCCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 5215148 CYYJEMCAYGMIHM-FMIVXFBMSA-N 306.343 3.431 5 40 DGBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 7982346 YDLPQMXSZCTXGS-SECBINFHSA-N 305.721 3.134 5 40 DGBB COc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991149 GWMSCAZKMZRAPF-UHFFFAOYSA-N 312.325 3.274 5 40 DGBB COc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 226293203 NGYHZKFTEVJNRE-MRXNPFEDSA-N 303.314 3.002 5 40 DGBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccc([N+](=O)[O-])cc1 9235140 RWHKCABDFSWZQN-UHFFFAOYSA-N 312.237 3.276 5 40 DGBB CCOc1ccc(NC(=O)c2ccccc2F)cc1[N+](=O)[O-] 10119489 MLFDIUKJDMMZKY-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Cl)ccn1 71799849 XHQJUPASFNZTSY-VIFPVBQESA-N 317.732 3.235 5 40 DGBB COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 225199948 MFOKSWQKHNBBRR-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB O=C1CC(c2ccccc2)=NN1c1cc(Cl)ccc1[N+](=O)[O-] 6280859 QEIYAGFHXWZUFS-UHFFFAOYSA-N 315.716 3.389 5 40 DGBB CN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 71924289 ARYRLLYWNRONIX-KRWDZBQOSA-N 315.348 3.227 5 40 DGBB Cc1cccc(N(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 96003669 LUOGPOVQIXVTPD-UHFFFAOYSA-N 314.341 3.311 5 40 DGBB Cc1ccc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 14253955 CKHLCEHAAPDOGJ-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB O=C(Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(Cl)cc1 1598209 QALFTHQRLNHTEJ-UHFFFAOYSA-N 322.660 3.376 5 40 DGBB O=[N+]([O-])c1ccc(Cl)cc1CS(=O)(=O)c1ccccc1 3199855 HZDABTBFYUKBPE-UHFFFAOYSA-N 311.746 3.222 5 40 DGBB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 28199356 QAKLJPOXWJHLQY-VXGBXAGGSA-N 317.389 3.287 5 40 DGBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1 17841800 HIGKRPPESXEVKW-CQSZACIVSA-N 314.341 3.490 5 40 DGBB CCOc1ccc(C(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] 4736794 DTJNRDNSWCQXIE-UHFFFAOYSA-N 321.720 3.294 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1 5002697 PIRTZHIVSIPUBD-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1nccs1 42652243 YADROCQQPWZAKK-SECBINFHSA-N 306.347 3.276 5 40 DGBB COCc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 25334957 IZANGPDQBWJVJU-UHFFFAOYSA-N 316.313 3.002 5 40 DGBB CCOC(=O)[C@H](C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 3850170 PFHCPTVVRFNNFH-HNNXBMFYSA-N 313.309 3.124 5 40 DGBB biogenic COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c(OC)c1 216774290 JOYWHWWIMSCUFQ-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB CCOC(=O)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 95918494 ZTGLWVNCHUYUSI-UHFFFAOYSA-N 320.248 3.400 5 40 DGBB COc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 5208303 ZVCSXSWPMDRIIL-UHFFFAOYSA-N 318.285 3.223 5 40 DGBB O=[N+]([O-])C[C@@H](c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 205946519 IXOBHWRUYORXJV-HNNXBMFYSA-N 311.297 3.485 5 40 DGBB CC1(C)[C@]2(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@]1(C)C(=O)C2 468503 LDXZVWDUTCKNAD-DLBZAZTESA-N 316.357 3.319 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2C[C@H]1CO1 3149231 UQYBJOCNWSELRR-NSHDSACASA-N 313.269 3.010 5 40 DGBB Cn1ccnc1SCCNc1ccc([N+](=O)[O-])cc1Cl 7129453 PSMCECVNFWTFIL-UHFFFAOYSA-N 312.782 3.186 5 40 DGBB Cc1cc(OCC(=O)N[C@@H](C)CCC(C)C)ccc1[N+](=O)[O-] 19355653 GZINMGJPYZBNKF-ZDUSSCGKSA-N 308.378 3.223 5 40 DGBB CCC(CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C 32907380 XKRWZYNFFYWXAC-OAHLLOKOSA-N 322.409 3.083 5 40 DGBB Cc1cc(N2CCC([C@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2n1 97083869 BGFFZTXEFQHQDG-LBPRGKRZSA-N 315.373 3.049 5 40 DGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 2774525 XWENWRAENOFDHT-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 48274226 NKTAWLATXWPPAK-ZDUSSCGKSA-N 309.797 3.313 5 40 DGBB O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1[C@H]1C[C@H]2CC[C@H]1C2 101142058 PJGLHLDSXDQZDA-KFYUAXIPSA-N 318.398 3.357 5 40 DGBB Cc1cccc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 6585416 RHPKZHVLJYUGGK-UHFFFAOYSA-N 314.345 3.137 5 40 DGBB Cc1ccc(OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])n1 4891766 UWDHEVGGPCZBIY-UHFFFAOYSA-N 311.297 3.041 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1c(F)cccc1F 195314546 KXDIWTSGFANYOI-UHFFFAOYSA-N 306.268 3.458 5 40 DGBB Cc1c(NC(=O)N2CC[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] 585120146 VEJUZRLVIJOBOD-JTQLQIEISA-N 303.240 3.072 5 40 DGBB COc1ccc(Cl)cc1CN(C)c1ccc([N+](=O)[O-])cn1 15143581 RRBVKRWPJSOYCP-UHFFFAOYSA-N 307.737 3.288 5 40 DGBB O=c1[nH]c(-c2ccccc2O)cc2c1c(=O)oc1ccccc12 526788 RWDROGNNLUBSTQ-UHFFFAOYSA-N 305.289 3.007 5 40 DGBB biogenic Cc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 6477761 WNGIXCHHLYKZET-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB CC(=O)c1ccc(NCc2cn3ccc(C)cc3n2)c([N+](=O)[O-])c1 58169246 LRXCLZGWBWBWKG-UHFFFAOYSA-N 324.340 3.366 5 40 DGBB O=[N+]([O-])c1cc(F)cc(OCc2nnc(C3CC3)n2C2CC2)c1 97083561 JBBQXQUVCNBMBX-UHFFFAOYSA-N 318.308 3.117 5 40 DGBB Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 217865435 UNQFVKQMMKXVFJ-ZDUSSCGKSA-N 314.341 3.101 5 40 DGBB O=[N+]([O-])c1ccc(N2NC3(CCCCCCC3)NC2=S)cc1 225348176 MXTKHSHYPODBOO-UHFFFAOYSA-N 320.418 3.235 5 40 DGBB CC(=O)Nc1ccc(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1556476 ITGULIMUBIKIOD-UHFFFAOYSA-N 315.285 3.052 5 40 DGBB O=S(=O)(O)[C@H](O)c1ccc2ccc3cccc4ccc1c2c34 1661352 PKFDIBWZKCQRSF-KRWDZBQOSA-N 312.346 3.463 5 40 DGBB CCCC(CCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 1710481 QTVBAMYAWOMUPU-UHFFFAOYSA-N 308.378 3.310 5 40 DGBB Cc1ccc2c(c1)nnn2CNc1cc([N+](=O)[O-])ccc1Cl 3152546 IDJPUOYRYPDXIV-UHFFFAOYSA-N 317.736 3.371 5 40 DGBB CCC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)on1 9114185 MQAYTGQPPNSYES-ZDUSSCGKSA-N 319.317 3.077 5 40 DGBB Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1[N+](=O)[O-] 17294750 ZKHIQQNMWXSSCS-UHFFFAOYSA-N 323.352 3.357 5 40 DGBB Cc1cc(C(=O)N(C)c2nc3ccccc3o2)ccc1[N+](=O)[O-] 24924396 RLCPDCLNJDDZKU-UHFFFAOYSA-N 311.297 3.321 5 40 DGBB CCN(Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 30274703 ZKXCEQVFAYQKSS-UHFFFAOYSA-N 318.329 3.076 5 40 DGBB CC(C)(C)c1csc(CNC(=O)c2ccccc2[N+](=O)[O-])n1 69655443 OGLJVNZZCMHSDA-UHFFFAOYSA-N 319.386 3.279 5 40 DGBB O=C(c1ccncc1Cl)N1CCCc2c1cccc2[N+](=O)[O-] 95436683 VHHWKCYALZTJHM-UHFFFAOYSA-N 317.732 3.236 5 40 DGBB C[S@@](=O)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 124328539 ALXHRWVJNCSPHK-SFHVURJKSA-N 311.190 3.082 5 40 DGBB CC(C)[N@@+]1(C)[C@H]2CC[C@@H]1C[C@H](C(=O)[C@H](CO)c1ccccc1)C2 263583933 FPHNWKCKNIVGKU-HZVKZAKPSA-N 316.465 3.128 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 44902855 FYTOKTRHUJXNNL-NSHDSACASA-N 300.314 3.094 5 40 DGBB O=C(COC(=O)CCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1 6322207 QXDIMADCTGDJQC-UHFFFAOYSA-N 320.345 3.047 5 40 DGBB CC(C)NC[C@H](O)COc1c2ccccc2nc2ccccc12 31772411 JUSVXBAWLVGDTE-AWEZNQCLSA-N 310.397 3.126 5 40 DGBB Cc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)sc1C 32845454 VZHOKFZFTVCQHQ-UHFFFAOYSA-N 319.386 3.115 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(F)cc1 4611554 AJUADWHCDUFAJK-UHFFFAOYSA-N 321.220 3.084 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccn1 5622223 UCYHMKZYWWLAKY-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB O=[N+]([O-])c1cccc(CSc2ncn(-c3ccccc3)n2)c1 12268014 AAZNHDHDKGCKIG-UHFFFAOYSA-N 312.354 3.468 5 40 DGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F 22862665 AJCOMUAWZSOLKK-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB Cc1cccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1C 41156590 PKBXPHDXLPQFNW-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 75492715 NSGGWPUALJFLCL-UONOGXRCSA-N 319.361 3.064 5 40 DGBB CCn1c2ccccc2c2cc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])ccc21 47296121 BLNIJSHJJUGWEG-YOEHRIQHSA-N 323.352 3.418 5 40 DGBB CCOC(=O)c1sc(Nc2cccc([N+](=O)[O-])c2)nc1C 3881153 ZPMOCGRKHKMLBM-UHFFFAOYSA-N 307.331 3.280 5 40 DGBB O=C(Nc1cc[nH]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 58159746 BUDDCYPNDYUKKB-UHFFFAOYSA-N 323.312 3.314 5 40 DGBB CCC(=O)c1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 2625438 VQKQLSFRFFJTSR-UHFFFAOYSA-N 314.297 3.079 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(C2CC2)o1 65564350 QTOQBPLZPZUTPB-JTQLQIEISA-N 302.334 3.048 5 40 DGBB O=C(O)CSc1nc2ccccc2c2nc3ccccc3n12 6652970 NGJQWZROHPORBR-UHFFFAOYSA-N 309.350 3.212 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccc1 8562319 CQHYZVAFHSJCMV-STQMWFEESA-N 314.341 3.240 5 40 DGBB O=C(O)c1cn(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 216951725 SYPVANJNIQNCEJ-UHFFFAOYSA-N 324.292 3.131 5 40 DGBB COc1ccc(NC(=O)c2c(F)cccc2F)c([N+](=O)[O-])c1 4071295 AIVLFKSCMJTUNI-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB CC(C)(C)c1ccc(OCCn2cc([N+](=O)[O-])ccc2=O)cc1 8752144 LZOFUDCCMSFEIJ-UHFFFAOYSA-N 316.357 3.133 5 40 DGBB CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1)C2 54125381 QEJDUKZAWJLAQP-UHFFFAOYSA-N 311.341 3.116 5 40 DGBB Cc1ccn2c(/C=C/C(=O)O)c(-c3ccc([N+](=O)[O-])cc3)nc2c1 2510942 DTDVHRARGQPYSR-VOTSOKGWSA-N 323.308 3.316 5 40 DGBB Cc1nn([C@@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 341126 OODFVHIHMVBGKN-JTQLQIEISA-N 322.752 3.261 5 40 DGBB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] 3569277 JNJPEHGTARHCNZ-LCYFTJDESA-N 312.256 3.078 5 40 DGBB Cc1ccc(Oc2ncc(Br)cn2)cc1[N+](=O)[O-] 95974617 MUGPPTCRHZFZCJ-UHFFFAOYSA-N 310.107 3.248 5 40 DGBB O=[N+]([O-])c1cccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1 101079468 OFEBIQCKJGENBA-INIZCTEOSA-N 319.324 3.242 5 40 DGBB Cc1c(Cn2ccc(=O)c3sccc32)cccc1[N+](=O)[O-] 153533388 RLPFRMCQROEIDR-UHFFFAOYSA-N 300.339 3.328 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nnc3ccccn23)c(Cl)c1 3401842 PCQBFHVFUQWKOA-UHFFFAOYSA-N 306.734 3.442 5 40 DGBB Cc1cc(C)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1C 5885023 QPOXZNROHDZDPC-UHFFFAOYSA-N 317.297 3.153 5 40 DGBB COc1ccc(C(=O)Oc2cccc3cccnc23)cc1[N+](=O)[O-] 177911 ANWDYFXKENUGIE-UHFFFAOYSA-N 324.292 3.371 5 40 DGBB O=[N+]([O-])c1ccc(NCc2coc(-c3cccs3)n2)nc1 22195650 TUGUDVVWLBIUTF-UHFFFAOYSA-N 302.315 3.318 5 40 DGBB O=Cc1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 408605239 LDLCQWIDIIZKJQ-UHFFFAOYSA-N 308.293 3.245 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 5569543 WKFNRAXFHKCPJJ-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB CC(C)c1ccc(-c2noc(Cn3cnc([N+](=O)[O-])c3)n2)cc1 25451674 ROPXBYFABLNXAM-UHFFFAOYSA-N 313.317 3.013 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H](C)CC(C)C 58159810 BIWAGWMVJLPMHY-CYBMUJFWSA-N 307.394 3.208 5 40 DGBB C[C@@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 58423307 TWDRBPCYTJZHHQ-CYBMUJFWSA-N 315.373 3.198 5 40 DGBB Cc1cc(N2C[C@H](C)O[C@H](c3ccsc3)C2)ncc1[N+](=O)[O-] 95413882 CTWPYLBRQZVUNM-FZMZJTMJSA-N 319.386 3.326 5 40 DGBB Cc1c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] 102186751 QWBNFGIYGCHIFV-PWNZVWSESA-N 302.374 3.458 5 40 DGBB CCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5477879 DXQBPLMUUNLWQL-UHFFFAOYSA-N 322.368 3.481 5 40 DGBB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccccc1[N+](=O)[O-] 25328663 BRJVHKCOVULRLF-GFCCVEGCSA-N 314.341 3.437 5 40 DGBB O=C(CSCc1ccccn1)Nc1ccc(F)cc1[N+](=O)[O-] 75128269 MUBFAYRUISPTQC-UHFFFAOYSA-N 321.333 3.001 5 40 DGBB O=[N+]([O-])c1ccccc1[C@H](O)[C@H](c1ccccc1)[n+]1ccccc1 1556122 SXEIUHKAEFPPJK-OALUTQOASA-N 321.356 3.205 5 40 DGBB Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F 5702737 RWIMCAOYCPSJCF-UHFFFAOYSA-N 324.333 3.189 5 40 DGBB Cc1n[nH]c2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc12 91837206 RZBCZXGZNVTOQN-UHFFFAOYSA-N 314.276 3.171 5 40 DGBB O=[N+]([O-])c1ccc(O)cc1CNc1ccc(Cn2cccn2)cc1 95428668 NYSVOCMSRDVRDG-UHFFFAOYSA-N 324.340 3.157 5 40 DGBB O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1C(=O)O 4426533 JWBXYHKBVXKSRK-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1C 2080174 CLZPCJAYUMKBAH-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB O=C(NCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 72331455 OEPJECXAHGHUQJ-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB Cc1cc(OCC(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] 1284542 FJSPFYFBZPOEJA-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccco3)n2)c1 31743239 QVYDYNABZCBZRK-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB CN(C)c1ccc(CCCNc2ccc([N+](=O)[O-])cn2)cc1 32825035 BNZOKZXALGYSMM-UHFFFAOYSA-N 300.362 3.101 5 40 DGBB Cc1cccc(OCCOC(=O)c2cccc(C)c2[N+](=O)[O-])c1 3448137 UPJXRTBXYWOYIE-UHFFFAOYSA-N 315.325 3.447 5 40 DGBB Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3569821 ASDUTVAVPBMOLI-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB Cc1ccc(C)c(N(c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1 4963125 ASCNEQOEOUNPGW-UHFFFAOYSA-N 320.370 3.309 5 40 DGBB CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 76067385 BXPMRTTXBILWHB-JSGCOSHPSA-N 308.403 3.341 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3ccnc3)c2)c1 96425027 PYRLVZCUUWJPQK-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB Cc1ccc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 7053238 RLROHLHCWSNQON-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB CCCOC(=O)c1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1 70462631 QYSBRKWMORLXGO-UHFFFAOYSA-N 312.753 3.415 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1F 40512613 MUXBRMOSNRLGKJ-UHFFFAOYSA-N 316.332 3.325 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)n1cnc2ccccc21 47041 XEUSUZZVUSGAHE-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB CNc1cc(OCc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 5320041 PCZDCYNCKFKVOM-UHFFFAOYSA-N 303.274 3.124 5 40 DGBB O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F 31547898 UQIKYTLWEMBGQT-UHFFFAOYSA-N 322.267 3.281 5 40 DGBB COc1ccc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 95436568 LMUNFXLHLBOASK-UHFFFAOYSA-N 314.341 3.199 5 40 DGBB COc1ccccc1CNC(=S)c1cccc([N+](=O)[O-])c1 408571471 CBZURSHUICTLIB-UHFFFAOYSA-N 302.355 3.069 5 40 DGBB C[C@@H](NC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 71879769 CHVOWMWXUBOCQI-GFCCVEGCSA-N 311.341 3.381 5 40 DGBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1 216960656 LTXBKHXQYJFRPC-UHFFFAOYSA-N 324.292 3.245 5 40 DGBB C[C@H](C1CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 32907034 PBJILSNIRKMWRJ-GFCCVEGCSA-N 317.389 3.066 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2ccccc2n1 40511079 IRCMYGZOBJVBKV-UHFFFAOYSA-N 321.336 3.415 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCCCCC1 11557933 KNFQDAJPDBDXAY-UHFFFAOYSA-N 305.378 3.236 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1 12848862 RMPLRADJVBBNOE-INIZCTEOSA-N 312.373 3.239 5 40 DGBB Cc1cc(NC(=O)CN2CCCC[C@H]2C)c([N+](=O)[O-])cc1C 6049295 FEROKPWCSKMTRU-CYBMUJFWSA-N 305.378 3.025 5 40 DGBB CCc1cc(C(=O)N2CCCC[C@H]2C)c(OC)c([N+](=O)[O-])c1 72206650 CNGHLVJWFSZRMM-LLVKDONJSA-N 306.362 3.180 5 40 DGBB O=C(O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5023394 DSZKJCOMGPBLJW-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 14219568 AJEORDWAIBRWGI-ZDUSSCGKSA-N 320.370 3.024 5 40 DGBB CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 20448530 RTMFJSBWASULJA-JTQLQIEISA-N 304.302 3.078 5 40 DGBB Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc2cccnc12 11393515 DWOHULHGFSXAQD-UHFFFAOYSA-N 323.308 3.082 5 40 DGBB O=[N+]([O-])c1c[nH]nc1-c1ccc(-n2cnc(Cl)c2Cl)cc1 161113 LRXHXKYRABYJFZ-UHFFFAOYSA-N 324.127 3.477 5 40 DGBB COc1ccc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 165786 FCDCFRNDPGLCQZ-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 13169983 REAORILETHOOSW-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB Cc1cccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 55675917 BIKDVUBZZBTZQZ-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1C(=O)N(C)C 81160823 UOPRBTKGUOKCNX-UHFFFAOYSA-N 319.386 3.279 5 40 DGBB O=c1c(-c2ccccc2Cl)c[nH]n1-c1cccc([N+](=O)[O-])c1 1400735 LLRYPUYQLVWBKT-UHFFFAOYSA-N 315.716 3.394 5 40 DGBB CCN(CC)c1nc2ccc([N+](=O)[O-])cc2nc1N(CC)CC 3035562 YSPMGBBAIPFZFX-UHFFFAOYSA-N 317.393 3.230 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)c1ccccn1 8586566 ICYXDVOXAQPLTG-UHFFFAOYSA-N 323.308 3.430 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSC1CCCC1 46450339 XCVNMHPANLYIIT-CMDGGOBGSA-N 320.414 3.400 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 91505167 KVEQHLYEFCZXBT-ZDUSSCGKSA-N 312.247 3.158 5 40 DGBB Cn1cnc([N+](=O)[O-])c1N1CCC(CCc2ccccc2)CC1 28795393 PRIKAMZSKAMMTF-UHFFFAOYSA-N 314.389 3.178 5 40 DGBB O=[N+]([O-])c1ccccc1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 104809833 AQCKEXFCENMBEM-INIZCTEOSA-N 319.324 3.242 5 40 DGBB CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 29147942 BYJPBWHSSCVCRL-GFCCVEGCSA-N 314.370 3.428 5 40 DGBB Cc1nn(CC(=O)c2ccc3c(c2)CCCC3)c(C)c1[N+](=O)[O-] 9153887 MYYWHUSWFJTIDE-UHFFFAOYSA-N 313.357 3.170 5 40 DGBB C[C@@H]1CC[C@H](CCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1 95973889 BMBUISCRRZIYOE-CHWSQXEVSA-N 318.373 3.222 5 40 DGBB CCOc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 14258215 KJBLVPPBDOXOQG-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB O=[N+]([O-])c1cc2c(cc1C[C@H]1CC1(Cl)Cl)OCCO2 4006223 USKADWBMQCFSSQ-QMMMGPOBSA-N 304.129 3.102 5 40 DGBB CC(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 72986946 WSGIJNTYOGGDIJ-NSHDSACASA-N 312.325 3.288 5 40 DGBB COC[C@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 95409129 QHRQDFQCRLPAMK-LBPRGKRZSA-N 306.318 3.304 5 40 DGBB C[C@@]12CC[C@H](C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 104260459 MVTPHFKACRPZAF-DVJZZOLTSA-N 320.301 3.239 5 40 DGBB C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 2616648 WKMQHYZKULFPJS-SMDDNHRTSA-N 308.403 3.382 5 40 DGBB Cc1cc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 6714684 USLDZKYHLXCNNR-UHFFFAOYSA-N 309.325 3.497 5 40 DGBB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 55694366 PPETZAUVMSZYNY-ZDUSSCGKSA-N 314.341 3.101 5 40 DGBB Cc1occc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 96416497 MFOHXBUDRDIHGT-UHFFFAOYSA-N 302.330 3.249 5 40 DGBB Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)c1 542370 KKEXOUPYAPLPEM-UHFFFAOYSA-N 316.361 3.187 5 40 DGBB Cn1ccnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4606898 MHFACGGHYDOUFF-UHFFFAOYSA-N 303.265 3.498 5 40 DGBB Cc1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] 95974286 WHVCVQGLFDWIKK-UHFFFAOYSA-N 309.329 3.300 5 40 DGBB CC(C)[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 63618904 UKQKIQUDHLLIAY-AWEZNQCLSA-N 316.361 3.265 5 40 DGBB CC(=O)Nc1c([N+](=O)[O-])cc(Br)c2ccccc12 5663425 GHPDTOXHQCQCGM-UHFFFAOYSA-N 309.119 3.469 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1 440269 VYKAEFNWQHDKLP-LLVKDONJSA-N 316.313 3.009 5 40 DGBB O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3093869 CJEQXOUSAMWFCK-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB CCO[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 4823787 QLWSJNGZUXCMGL-INIZCTEOSA-N 300.314 3.252 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nnc(C(F)F)[nH]2)c(Cl)c1 216903352 HAPNWTZQEZYDEF-UHFFFAOYSA-N 306.681 3.455 5 40 DGBB CC(=O)c1cccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)c1 101613893 FALBQFZNALPPAP-OBGWFSINSA-N 324.292 3.482 5 40 DGBB COc1ccc(C)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 1628072 FCLYOKKRNLGHFI-UHFFFAOYSA-N 321.354 3.053 5 40 DGBB O=C(c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3100936 YSUPZNFFXSIYCA-UHFFFAOYSA-N 306.661 3.387 5 40 DGBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccs1 4644370 OHGCDYIQEJAKSL-WQLSENKSSA-N 300.295 3.001 5 40 DGBB O=[N+]([O-])c1cccc(OCc2cc(F)cc3c2OCOC3)c1 25399544 FOOCZKHWRMPEDC-UHFFFAOYSA-N 305.261 3.179 5 40 DGBB O=C(NC1CC1)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 58158870 REWCEFOQCVCREO-UHFFFAOYSA-N 311.341 3.099 5 40 DGBB Cc1ccc2c(CC(=O)NCc3ccccc3[N+](=O)[O-])c[nH]c2c1 69777120 QBZZDSBERJSASL-UHFFFAOYSA-N 323.352 3.243 5 40 DGBB COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] 5679475 OHNHTBBYFAJEDM-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB COC(=O)CCCCCCCC[C@@H](O)C[N+]1(C)CCCCC1 4828741 FMKJRBPZIVEGSX-QGZVFWFLSA-N 314.490 3.272 5 40 DGBB COc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] 15472077 RXHSLMVSRLMHOD-GFCCVEGCSA-N 314.341 3.023 5 40 DGBB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 67086366 OBQODAVCJXABLW-CYBMUJFWSA-N 314.341 3.101 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 78569551 LEVZXVHFQVPXEH-GFCCVEGCSA-N 309.329 3.349 5 40 DGBB CS(=O)(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 91484007 GSSIQOQJSMSAMM-UHFFFAOYSA-N 309.368 3.150 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 3355941 OBNBDIVWIQAFNA-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1cccnc1 7030984 XPTRGFHAWWRWJE-CYBMUJFWSA-N 313.357 3.142 5 40 DGBB COc1ccccc1[C@@H](CNc1ccccc1[N+](=O)[O-])N(C)C 25277896 HVQCPJCEIWLBKH-MRXNPFEDSA-N 315.373 3.318 5 40 DGBB COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 2629081 UFZVXNWEMJGFRK-UHFFFAOYSA-N 320.732 3.187 5 40 DGBB C[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 3187582 CXRJOBMNJDOQCA-SSDOTTSWSA-N 323.399 3.490 5 40 DGBB O=[N+]([O-])c1c(N2CCCCCC2)ncnc1N1CCCCCC1 4164066 KICGIAGPFMRWOE-UHFFFAOYSA-N 319.409 3.146 5 40 DGBB Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 4289710 IHSYIEXTJLHNDD-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5547335 CWISENNYXVDJMV-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB COc1c(C)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 9141717 OIOACKAJHGWLCP-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB O=[N+]([O-])c1ccc(OCc2nc(-c3ccsc3)no2)c(F)c1 47355008 CVZQOQVXFSKOPA-UHFFFAOYSA-N 321.289 3.424 5 40 DGBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(C)n1 60645099 JEUDERKBKRAHLS-UHFFFAOYSA-N 303.343 3.355 5 40 DGBB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 293847 NIXUXPVLCOCIBI-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB Cc1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 5634929 SQGDYNIMTSIMPP-UHFFFAOYSA-N 315.325 3.447 5 40 DGBB CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 10448432 UTLFIJZWPDZXDW-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB O=C(Nc1ccc2nccn2c1)c1ccc(Cl)c([N+](=O)[O-])c1 72283510 PXPMPUXCPKQWSP-UHFFFAOYSA-N 316.704 3.148 5 40 DGBB Cc1c(C(=O)Nc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] 226273648 IOKSJMUXWXDQDS-NSHDSACASA-N 300.314 3.209 5 40 DGBB C[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] 17155785 VMDBSAMGQZXPPA-CQSZACIVSA-N 312.369 3.275 5 40 DGBB O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1[N+](=O)[O-] 24234705 SGOOOLYBAKNRAG-UHFFFAOYSA-N 324.340 3.440 5 40 DGBB Cc1ccc(OCC(=O)Nc2cc(C(C)C)no2)c([N+](=O)[O-])c1 24733229 AMSCVOXGLAKUIL-UHFFFAOYSA-N 319.317 3.032 5 40 DGBB CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 27635919 WSGIYQBGOLEMBV-CYBMUJFWSA-N 302.330 3.357 5 40 DGBB O=[N+]([O-])c1cccc(/C=C\S(=O)(=O)Cc2ccccc2)c1 31772188 MULUQTPCARXCDB-KTKRTIGZSA-N 303.339 3.181 5 40 DGBB CCOc1cccc(N2CCC[C@@H](c3cn[nH]c3)C2)c1[N+](=O)[O-] 104423645 LNTRIAPWLTWDIN-GFCCVEGCSA-N 316.361 3.101 5 40 DGBB Cc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1[N+](=O)[O-] 11749487 RPDPVPBDTZLPST-UHFFFAOYSA-N 310.353 3.365 5 40 DGBB CCc1cc(C(=O)N2CCCC[C@@H]2C)c(OC)c([N+](=O)[O-])c1 72206648 CNGHLVJWFSZRMM-NSHDSACASA-N 306.362 3.180 5 40 DGBB Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] 92810774 ZZRHBVRHAUYHDE-UHFFFAOYSA-N 300.362 3.006 5 40 DGBB COCCC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 95415301 GQBJVBJPZJIWHS-UHFFFAOYSA-N 318.373 3.034 5 40 DGBB Nc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 5689040 PJMZRFVQVHSYMK-UHFFFAOYSA-N 324.695 3.327 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cc(C2CC2)on1 25575351 WVSTWAPJPXUBBV-JTQLQIEISA-N 315.329 3.293 5 40 DGBB CC(C)CC(=O)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 71899470 KTNNBAULBQEBBO-UHFFFAOYSA-N 323.368 3.183 5 40 DGBB O=c1[nH]c2cc([N+](=O)[O-])c(Br)cc2c2ccccc12 8637626 WPNVBOJXQUBPEF-UHFFFAOYSA-N 319.114 3.352 5 40 DGBB O=c1[nH]c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc12 5091890 UKUDUZYIAHQMLU-UHFFFAOYSA-N 313.338 3.124 5 40 DGBB Cc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1 226862634 JHCDFXHFDJZZNO-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB CCOC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 515172 XPSWBIYNXCNUEV-UHFFFAOYSA-N 301.298 3.351 5 40 DGBB O=C(c1ccc(Cl)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1446114 NMFXYNFXZHIMDS-UHFFFAOYSA-N 319.700 3.250 5 40 DGBB NC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 2644168 IGUYDXXRNZLALC-UHFFFAOYSA-N 308.746 3.498 5 40 DGBB CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2772310 SEMOGKGQRCSNNF-GFCCVEGCSA-N 314.407 3.088 5 40 DGBB CCCCCC[C@@H](C)N(CCO)C(=O)c1ccc([N+](=O)[O-])cc1 5524123 SHZWZHZUVQTZSF-CQSZACIVSA-N 322.405 3.388 5 40 DGBB Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 6477759 QAWJEDJJKZTINZ-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1[N+](=O)[O-] 20140967 VQWDZCKUMGRJMF-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB CSC[C@H](C)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 84776078 WDFQVSGECXGHCX-VIFPVBQESA-N 305.359 3.081 5 40 DGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](c2ccco2)C1 95395480 WUZOIFYKNDXERN-JTQLQIEISA-N 320.732 3.471 5 40 DGBB C[N+]1(CCOC[C@H]2CCC[N+]3(C)CCCC[C@H]23)CCCCC1 2139954 YEBJFOUHZMECGW-AQFHOAJTSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 884868 KANZQKDQCCPTAP-UHFFFAOYSA-N 317.301 3.179 5 40 DGBB Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)ccc1[N+](=O)[O-] 24743835 HXJMNOONMNDORL-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB O=[N+]([O-])c1ccc([C@@H]2O[C@H]3C[C@@H]4[C@@H]5CCC[C@@H]5[C@@H]3[C@@H]4O2)cc1 104077853 OMRABCPWSAHSLM-ONNAEPBLSA-N 301.342 3.443 5 40 DGBB O=C(c1cc(F)cc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 8919135 LJAOCSCAEAQFFZ-UHFFFAOYSA-N 304.252 3.076 5 40 DGBB Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)cc1 4016556 TWLCGKSCHBKYAX-UHFFFAOYSA-N 315.245 3.091 5 40 DGBB Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 5343650 ZZVOHQMQEZJMEQ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB NC(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 9255237 DRXBNSYGGCLTIL-UHFFFAOYSA-N 310.668 3.279 5 40 DGBB O=C(CN1CCCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 6753583 PYECQDXHZVWDRN-UHFFFAOYSA-N 311.769 3.063 5 40 DGBB CCOc1cccc(N2CCO[C@H](c3ccco3)C2)c1[N+](=O)[O-] 97140756 XOXVZECGYAMLRE-HNNXBMFYSA-N 318.329 3.164 5 40 DGBB CC(=O)[C@H](C)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 8510819 REGVOEBDZBNXHW-NSHDSACASA-N 312.321 3.317 5 40 DGBB biogenic O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)c1ccccn1 20896999 SSQQGVJSUSFSSA-UHFFFAOYSA-N 323.308 3.430 5 40 DGBB Cc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1[N+](=O)[O-] 216960275 ZSOGVEGHMVGKMM-UHFFFAOYSA-N 324.336 3.347 5 40 DGBB CC[N+](C)(CC)CCOCc1cc(Cl)cc2c1OCOC2 5469337 FCTPHURWOBBNCK-UHFFFAOYSA-N 314.833 3.210 5 40 DGBB CC(C)c1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 1428880 UFCWGRMIQNZIBE-NSHDSACASA-N 302.334 3.114 5 40 DGBB Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 21769520 FOYBRZNLHZXOCL-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CN(Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cn1 25370602 JFERMNYLMNGJHP-UHFFFAOYSA-N 322.162 3.389 5 40 DGBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccnc3)n2)ccc1Cl 40169656 ZYEPRUATMVEBCM-UHFFFAOYSA-N 301.693 3.095 5 40 DGBB O=C([C@@H]1CCOc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] 78149311 QWJPRUUSDMYBAZ-CYBMUJFWSA-N 324.336 3.050 5 40 DGBB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 1463499 NUWMYORLVFUAAR-JGVFFNPUSA-N 306.240 3.039 5 40 DGBB O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl 1870681 PTFGEKXHGMSYBM-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 14183201 SCRXHARRPXKWJM-AOOOYVTPSA-N 311.769 3.156 5 40 DGBB Cc1cc(NC[C@H]2CC(C(F)(F)F)=NO2)c(F)cc1[N+](=O)[O-] 1548521940 KFPXEIDOAVYGAJ-SSDOTTSWSA-N 321.230 3.161 5 40 DGBB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C 13391275 SNKOYOHUEDKKLQ-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccccc2[nH]1 32818301 MPKYSWCETWJAAI-UHFFFAOYSA-N 309.325 3.348 5 40 DGBB CNc1ccc(CNCCc2ccc(F)cc2)cc1[N+](=O)[O-] 72278775 GCFNSFALMHAFFV-UHFFFAOYSA-N 303.337 3.108 5 40 DGBB CC(C)(C)C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 78814896 PJWMBOIZUCZDGF-UHFFFAOYSA-N 304.302 3.339 5 40 DGBB CCO[C@H](C)c1nc(COc2cccnc2[N+](=O)[O-])cs1 96424826 ATAHJPKBFRWWTB-SECBINFHSA-N 309.347 3.123 5 40 DGBB CNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 103932793 AQXDMBAEPNHLDZ-UHFFFAOYSA-N 307.382 3.181 5 40 DGBB COc1ccc(C)cc1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 1628073 DXDOAQQENXKUMB-UHFFFAOYSA-N 321.354 3.053 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCO[C@@H](c2ccc(F)cc2)C1 29528029 QJMAKKBSHMLDGD-MRXNPFEDSA-N 302.305 3.312 5 40 DGBB O=[N+]([O-])c1ccccc1NCc1ccc(Cn2cccn2)cc1 16738591 ZWNBDPSWWYKHSL-UHFFFAOYSA-N 308.341 3.452 5 40 DGBB O=[N+]([O-])c1ccc([C@H](O)CNc2nc3ccccc3s2)cc1 25369137 GRMYZRZBCUDPIS-CYBMUJFWSA-N 315.354 3.350 5 40 DGBB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc([N+](=O)[O-])cc1 19874468 WFEYXSMSLILRMA-KRWDZBQOSA-N 323.352 3.320 5 40 DGBB CN(Cc1ccccc1Br)c1ncccc1[N+](=O)[O-] 21363893 ULXMVUMDLBFYJZ-UHFFFAOYSA-N 322.162 3.389 5 40 DGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C(F)F 8512742 DWERGJCSGWVMEH-UHFFFAOYSA-N 316.651 3.092 5 40 DGBB C[C@H](NC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 9610036 XNHPBMKXDONDGO-QWHCGFSZSA-N 313.357 3.273 5 40 DGBB CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 95430647 VEHSYMDYJCHZNO-UHFFFAOYSA-N 317.345 3.039 5 40 DGBB Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccc(Br)cc2)n1 75234 SKKIDMSNADLCMB-CYBMUJFWSA-N 324.178 3.129 5 40 DGBB C[C@@H](OC(=O)c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 5723133 MIWQHOAVAMOTDI-SNVBAGLBSA-N 315.281 3.211 5 40 DGBB COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N(C(C)C)C(C)C 7827975 RUFHQOSVGQAERV-GFCCVEGCSA-N 324.377 3.016 5 40 DGBB Cc1c(NC(=O)c2cn3c(C)cccc3n2)cccc1[N+](=O)[O-] 30057765 DJHMOCLNRFKKFS-UHFFFAOYSA-N 310.313 3.112 5 40 DGBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc(F)cc1 102863275 PUBNGFQCJITJIK-GHRIWEEISA-N 300.245 3.418 5 40 DGBB COc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1OC 216868180 WPRSDUYEKFJFEV-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB Cc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] 567526 UKLCJUKHYHNCDH-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB Cc1cc(C(=O)OCC(=O)c2cccs2)ccc1[N+](=O)[O-] 3217690 RXTNZEIOYHYNBG-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1Cc1ccccc1 69455419 BFGRFGQIZJYQDP-CQSZACIVSA-N 314.341 3.425 5 40 DGBB O=C1S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1 408818306 NQZWNJLYKUSXMD-FLIBITNWSA-N 316.294 3.429 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSC1CCCC1 46450212 HVLKCEMNHOSSLH-JXMROGBWSA-N 320.414 3.400 5 40 DGBB COc1ccc(-c2csc(Br)n2)cc1[N+](=O)[O-] 85390144 BXVPDNXLYYPMQE-UHFFFAOYSA-N 315.148 3.489 5 40 DGBB Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-n2nc(C)cc2C)n1 7570779 JDTCFLLVUQICKY-UHFFFAOYSA-N 324.344 3.239 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)OCc2c(C)noc2C)c1 31331507 GKOMFCUSHDTAEN-UHFFFAOYSA-N 322.342 3.279 5 40 DGBB O=[N+]([O-])c1ccc(-c2n[nH]c(COc3ccc(F)cc3)n2)cc1 40169543 KQHJIKPIVYVJPR-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB O=C(Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1c[nH]c2ccccc12 1686453 UKVVXMOVJYYHNT-UHFFFAOYSA-N 324.292 3.230 5 40 DGBB CSc1ccccc1NP1(=O)OCC(C)([N+](=O)[O-])CO1 1709707 IPAXSGWXEHMHRB-UHFFFAOYSA-N 318.291 3.011 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1nc2ccccc2[nH]1 79097750 ALUGUONYPANJOP-CYBMUJFWSA-N 309.329 3.208 5 40 DGBB Cc1cc(CNc2c([N+](=O)[O-])ncn2C)c2[nH]c(C)c(C)c2c1 104095157 NZJVTAQTACRDDE-UHFFFAOYSA-N 313.361 3.347 5 40 DGBB CN(C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1470020 FRECMHABNDXFDQ-IZZDOVSWSA-N 311.341 3.313 5 40 DGBB CSc1ccc(C(=O)N[C@H](C)c2ccco2)cc1[N+](=O)[O-] 8982205 XUKIXGPWQHZFEA-SECBINFHSA-N 306.343 3.401 5 40 DGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 4703343 AOSOYMHSHHPZCZ-UHFFFAOYSA-N 319.748 3.090 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 18173629 BTCOWIAZCMMWBA-VIFPVBQESA-N 317.267 3.401 5 40 DGBB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1[N+](=O)[O-] 24485012 PSCHGHUNNGSPTD-UHFFFAOYSA-N 322.267 3.199 5 40 DGBB CCO[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 5422627 QLWSJNGZUXCMGL-MRXNPFEDSA-N 300.314 3.252 5 40 DGBB Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccccc1 4891876 NOVDGQISQJVZGI-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB Cc1oc2ncnc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1C 72235810 UGBBVNUYLWUFNJ-UHFFFAOYSA-N 312.285 3.000 5 40 DGBB COc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ncc(Cl)cn1 95406782 WSWMFALFAKPFOA-QMMMGPOBSA-N 308.725 3.220 5 40 DGBB Cc1occc1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O 89540724 FUCGUTKKVMPARQ-UHFFFAOYSA-N 317.301 3.065 5 40 DGBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(=O)O)c3o2)cc1 216729787 UGSLFNKJVMFIRG-UHFFFAOYSA-N 314.253 3.110 5 40 DGBB O=[N+]([O-])c1cnn(CCSc2ncc(-c3ccccc3)o2)c1 74783337 KPQDFEUUCKKYMC-UHFFFAOYSA-N 316.342 3.239 5 40 DGBB CCc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] 95416925 JYPOETJDTUSNOS-NSHDSACASA-N 321.377 3.094 5 40 DGBB O=[N+]([O-])c1cncc(Br)c1NCC1CCCC1 89762006 UGBQCDIZZKMCFK-UHFFFAOYSA-N 300.156 3.354 5 40 DGBB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1 262361 YEPWBSMHUNEEFV-UHFFFAOYSA-N 315.329 3.430 5 40 DGBB C[N+]1(Cc2csc(-c3ccc(Cl)cc3)n2)CCOCC1 1572760 CGIGGSUPJMVHKH-UHFFFAOYSA-N 309.842 3.440 5 40 DGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccccn1 20897002 DDRSKPMOMHKXIG-UHFFFAOYSA-N 323.308 3.430 5 40 DGBB O=C(NCCc1cccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 48297949 ZXXYPWSKDCZXJO-UHFFFAOYSA-N 315.354 3.110 5 40 DGBB O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2779501 ZGTILPRQZPPFKT-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=N)cc1 4637313 PPKUNHIIDGNUBW-UHFFFAOYSA-N 323.308 3.381 5 40 DGBB Cc1ccccc1N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224763910 JLNVMJBIFLIRSZ-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(Cl)c1 356195 QLBOOELISYNLAC-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB C/C(=C1/N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 3192092 RXPYALJOCZDNCR-PTNGSMBKSA-N 308.293 3.329 5 40 DGBB COc1ccc(NC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 6381618 ZEMHGCNTJUWTBJ-UHFFFAOYSA-N 305.265 3.387 5 40 DGBB CS[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 42818753 KWYOEXOEBBLSOV-MRVPVSSYSA-N 323.399 3.408 5 40 DGBB O=[N+]([O-])c1cccc(-c2noc(CNc3cccc(F)c3)n2)c1 55824651 UWFJYFXPVUQIQN-UHFFFAOYSA-N 314.276 3.396 5 40 DGBB COc1ccc(OC)c(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 61113674 JYVLLWBKJHGUDR-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1 81141124 KDVCTAHYZJQAOH-UHFFFAOYSA-N 305.202 3.204 5 40 DGBB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 96432320 YQNRSRJSPFFHEG-VXGBXAGGSA-N 308.403 3.341 5 40 DGBB CN(CC(F)F)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 97085665 PFILVQITBXBAEL-UHFFFAOYSA-N 324.736 3.064 5 40 DGBB C[C@H]1CCC[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2187262 TYXJCXZBHHQYHT-TVQRCGJNSA-N 308.290 3.239 5 40 DGBB CSc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] 9315750 VNLPCNJJYPUNDX-UHFFFAOYSA-N 303.343 3.272 5 40 DGBB O=[N+]([O-])c1ccc2cnn(CN(C3CCCC3)C3CC3)c2c1 32923200 GYBPBJVNASLCSQ-UHFFFAOYSA-N 300.362 3.309 5 40 DGBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 160118124 JWSPXCFXLKHLNL-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB Cc1sc2nc(-c3ccc(O)c([N+](=O)[O-])c3)nc(O)c2c1C 408735240 OWBKNELNNVLVBN-UHFFFAOYSA-N 317.326 3.295 5 40 DGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 33354041 GHWYJRRNNWVCPM-UHFFFAOYSA-N 304.218 3.155 5 40 DGBB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 2643089 UQOSEGFWAWJDBS-LLVKDONJSA-N 318.304 3.448 5 40 DGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 5971296 FVGGPPMYFOIOMT-SECBINFHSA-N 321.720 3.049 5 40 DGBB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 13390834 DYRFNNROQBFDNJ-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB O=C1C/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1 13655071 XJMXDYYHWUSJKC-CSKARUKUSA-N 314.322 3.003 5 40 DGBB C[C@@H](NC(=O)N(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 58169375 KFEZHUCNGDLDDM-LLVKDONJSA-N 303.318 3.090 5 40 DGBB Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2[nH]ncc12 69485449 JTSXCQUOVPKHBX-UHFFFAOYSA-N 314.276 3.171 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccnn3[C@H](C)C[C@@H]2C)c1 96425037 FEZVRUURZBYCLR-NWDGAFQWSA-N 314.345 3.100 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 96433634 NSAOOZOPXLGBBQ-CHWSQXEVSA-N 301.346 3.333 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 2622513 KJDLTJLDPDOWLX-UHFFFAOYSA-N 306.318 3.465 5 40 DGBB Cc1c(NC(=O)COc2ccccc2F)cccc1[N+](=O)[O-] 8266204 WLKUCMVWPQPBCQ-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB Cc1cc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2n1 11666345 VOBAYMKAZRSYHV-UHFFFAOYSA-N 318.314 3.062 5 40 DGBB CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCc2ccccc21 30978279 JQBWSXKDXHPKQB-GFCCVEGCSA-N 302.355 3.416 5 40 DGBB COc1ccc(-c2ccc(C(=S)N(C)C)o2)c([N+](=O)[O-])c1 40542517 ZEPZUGMGHAITHG-UHFFFAOYSA-N 306.343 3.101 5 40 DGBB C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-n1cnnc1 216751398 PPHSDKJHWHLLAA-AAEUAGOBSA-N 301.350 3.166 5 40 DGBB CC(=O)Nc1ccc(C)cc1OCc1ccccc1[N+](=O)[O-] 69569832 LVHCTWLRBVNEEI-UHFFFAOYSA-N 300.314 3.441 5 40 DGBB COC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 216887610 SFNJXPCSLLJOSY-IZZDOVSWSA-N 313.309 3.360 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/c1cc(F)ccc1F 40139804 DCJOWSUARLFSMP-DAFODLJHSA-N 306.224 3.137 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1ccccc1OCC(F)(F)F 96430149 WAMXDNXYBVPXQK-UHFFFAOYSA-N 315.251 3.089 5 40 DGBB Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1 90798 SYFKFPWLKNGJMD-UHFFFAOYSA-N 303.299 3.358 5 40 DGBB COc1cc(OC)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 3413512 GAKKXPSZZDQGBV-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 5598804 YNPHMCFBTQXBLJ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB C[C@H](C(=O)Nc1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 1424771 CJZZLBNGYNLHPN-LLVKDONJSA-N 310.313 3.144 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4297018 PNIZZXSAQQVBRY-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB CCC(CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])N(C)C 32907381 XKRWZYNFFYWXAC-HNNXBMFYSA-N 322.409 3.083 5 40 DGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc([N+](=O)[O-])c1 21236696 AQBLWTILEODZKC-QMMMGPOBSA-N 322.298 3.483 5 40 DGBB O=[N+]([O-])c1cccnc1NCc1coc(-c2cccs2)n1 22089574 MDXQWGMCIBPFRE-UHFFFAOYSA-N 302.315 3.318 5 40 DGBB Cc1cnccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 71885876 LLBRMRYRKSXSEM-LLVKDONJSA-N 317.370 3.418 5 40 DGBB Cc1c(CN2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] 80959127 JVHCBOAMCFPFCP-CQSZACIVSA-N 300.362 3.006 5 40 DGBB O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 225125386 MMHALODLNYWQPK-AWEZNQCLSA-N 321.716 3.323 5 40 DGBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 226862591 NURUSRRTTOFYRG-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB CCCC[C@@H](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 2353255 KEOUQFKUDYSYGK-NSHDSACASA-N 308.334 3.205 5 40 DGBB COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 5869772 SWQFHTSLRWUXPI-LLVKDONJSA-N 316.313 3.009 5 40 DGBB O=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl 6997501 TUHNTFOGVPTCOQ-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 10885500 ZFHGVSHUJCDVBK-SNAWJCMRSA-N 314.366 3.254 5 40 DGBB O=c1ccc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n[nH]1 20096078 JVLJHDCGFYKGRT-UHFFFAOYSA-N 314.345 3.090 5 40 DGBB C[N+]1(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CCCC1 36640180 FLCPNFNXYUXGLH-WFRNDULYSA-N 322.513 3.211 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)[C@@H]1CCc2ccccc21 58033701 QGPNAFJMQAHPPT-CQSZACIVSA-N 312.325 3.480 5 40 DGBB CCOc1ccc(C(=O)OC2C[C@@H]3CCC[C@@H](C2)[N+]3(C)C)cc1 100745086 BHVJFWCIKURJEW-HOTGVXAUSA-N 318.437 3.402 5 40 DGBB Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225017962 USPWRUCHDHPKEP-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 409012735 RRDXZZNASHKDDB-KWINOFQJSA-N 306.343 3.430 5 40 DGBB Cc1ccccc1NC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 1385543 MFPYOMDZHBXCOS-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 1679837 GPDGTKIBAZPSFN-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2ccccc2)CC1 35286739 DLEABJRBLKJSHM-UHFFFAOYSA-N 324.336 3.230 5 40 DGBB COc1ncccc1CNc1ccc([N+](=O)[O-])c2cnccc12 45026539 ZNQXOXZAPREVEQ-UHFFFAOYSA-N 310.313 3.159 5 40 DGBB O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)cc3)n2)c1 55824439 BIPSFNYUKKKVIR-UHFFFAOYSA-N 314.276 3.396 5 40 DGBB CCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)O)o1 226257802 OPRNTMXFZHWVCQ-VMPITWQZSA-N 303.270 3.351 5 40 DGBB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 2616649 WKMQHYZKULFPJS-BXUZGUMPSA-N 308.403 3.382 5 40 DGBB COC(=O)c1ccc(Nc2ccc(OC)cc2)c([N+](=O)[O-])c1 14203651 QDNCKVULDRNQKU-UHFFFAOYSA-N 302.286 3.134 5 40 DGBB Cc1cc(C(=O)Nc2cccc(C(=O)O)c2C)ccc1[N+](=O)[O-] 20140928 PLWDOHXXHQXKPL-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 40088674 CTSBVQCWPZYDAF-QGZVFWFLSA-N 300.358 3.150 5 40 DGBB Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CC[C@H]1CCCO1 72288223 OCGKXEGOZUEKRV-SNVBAGLBSA-N 312.753 3.454 5 40 DGBB O=c1/c(=N/Nc2ccccc2[N+](=O)[O-])c2cccc3cccc1c32 102246403 MAXNDFCCAPUAJJ-LVZFUZTISA-N 317.304 3.065 5 40 DGBB Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1[N+](=O)[O-] 20893766 AFULNGQSXCISPK-UHFFFAOYSA-N 311.297 3.226 5 40 DGBB C[C@H](SCc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 32941926 FQILRAYUWRKFTJ-JTQLQIEISA-N 306.343 3.448 5 40 DGBB CC(C)c1nnc(CNc2ccc([N+](=O)[O-])cc2Cl)n1C 96499888 WFRRRYBKPXTRKL-UHFFFAOYSA-N 309.757 3.112 5 40 DGBB CCOC(=O)C1=C(C)[C@@H](c2ccc([N+](=O)[O-])cc2)SC=C1N 100031632 JLXCESWSIWHFAI-AWEZNQCLSA-N 320.370 3.062 5 40 DGBB COC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 4058929 XJCPBKXHQMPJSA-NSHDSACASA-N 320.267 3.223 5 40 DGBB C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 40119626 VOHSTUGOHMELSS-QMMMGPOBSA-N 316.292 3.077 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100741702 XJMWFVSZQMKZIL-UMVBOHGHSA-N 320.414 3.133 5 40 DGBB O=C1COc2cc([N+](=O)[O-])c(Cl)cc2N1Cc1ccccc1 4648763 CUAQZFDIKWGBGJ-UHFFFAOYSA-N 318.716 3.174 5 40 DGBB CSc1ccc(C(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-] 6377042 UHDAPMDQTKLCRS-UHFFFAOYSA-N 309.372 3.334 5 40 DGBB C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 6957139 PQPZPBIXBABLHN-JTQLQIEISA-N 302.359 3.037 5 40 DGBB O=C(CCOc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 31549542 VGQIBHDCNMYJSU-UHFFFAOYSA-N 304.277 3.142 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 55667981 NXNKLNADQZWWLY-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999149 CRMIAKJHRMCHHN-ADSMDIBLSA-N 302.374 3.078 5 40 DGBB O=c1oc2cc(O)ccc2cc1-c1nc2cc([N+](=O)[O-])ccc2o1 255187931 HRYXCWVLZLAJBW-UHFFFAOYSA-N 324.248 3.215 5 40 DGBB C[C@@H](SCc1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 32941925 FQILRAYUWRKFTJ-SNVBAGLBSA-N 306.343 3.448 5 40 DGBB CC(C)c1nnc(NCCNc2ccccc2[N+](=O)[O-])s1 79109307 QTPGIJJOJLOVDE-UHFFFAOYSA-N 307.379 3.094 5 40 DGBB CC(C)[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 84456591 UKQKIQUDHLLIAY-CQSZACIVSA-N 316.361 3.265 5 40 DGBB O=C(Nc1ccccc1)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 3848113 SDSYKTIIBSOEMS-UHFFFAOYSA-N 317.257 3.252 5 40 DGBB biogenic COc1ccccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C 15967094 RACKBIDVSVZWTM-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB O=C(c1ccc2c(c1)OCO2)c1cc2cc([N+](=O)[O-])ccc2o1 28000877 GFKBOSOPSFYOAA-UHFFFAOYSA-N 311.249 3.301 5 40 DGBB C[C@H](OC(=O)c1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 32776054 MILSURUPMKZVKL-NSHDSACASA-N 323.308 3.456 5 40 DGBB CN(C)[C@@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 58172412 PKUDNCIGQBFRDB-HNNXBMFYSA-N 305.403 3.049 5 40 DGBB Cn1cncc1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 195560986 BOWMQWURNNVKGS-UHFFFAOYSA-N 314.267 3.002 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 225069345 YHDWJRIPZKDTDT-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 225125348 MMHALODLNYWQPK-CQSZACIVSA-N 321.716 3.323 5 40 DGBB CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](C(=O)[C@@H](CO)c1ccccc1)C2 263583934 FPHNWKCKNIVGKU-RVDAZCDBSA-N 316.465 3.128 5 40 DGBB in-vitro O=C(OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 381352 JMYJZUIPWFBXPI-UHFFFAOYSA-N 304.283 3.155 5 40 DGBB Cn1c(=O)c([N+](=O)[O-])c(Nc2ccccc2F)c2ccccc21 5532974 BUKYKADLQKXBCS-UHFFFAOYSA-N 313.288 3.329 5 40 DGBB O=[N+]([O-])c1ccccc1-c1nc(-c2cccnc2Cl)no1 4785391 HSQDHESSDUUJRP-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2772311 SEMOGKGQRCSNNF-LBPRGKRZSA-N 314.407 3.088 5 40 DGBB O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)ccc2nonc12 9421001 ZJIAJBQYTLOOTN-UHFFFAOYSA-N 323.312 3.267 5 40 DGBB c1ccc(CC[N+]23CC[N+](CCc4ccccc4)(CC2)C3)cc1 19319548 FNLQDWXPVABILD-UHFFFAOYSA-N 308.469 3.090 5 40 DGBB COc1ccc([N+](=O)[O-])cc1OCc1noc2c1CCCC2 69630422 DBSZHXZSUXBGPE-UHFFFAOYSA-N 304.302 3.049 5 40 DGBB COc1cc(CN2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1O 93335359 PISJSSLYMQEHFE-GFCCVEGCSA-N 318.329 3.239 5 40 DGBB Cc1c(NC(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] 15934488 SNCCNVXCYGSQAI-UHFFFAOYSA-N 315.285 3.276 5 40 DGBB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 20140841 CDZKKTFLDCEXPI-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB COc1cc(NC(=O)CSc2ccccc2)ccc1[N+](=O)[O-] 408557035 MPGPOXHDZYCMOR-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB COc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 4975953 YOSXCTPREBAQTP-UHFFFAOYSA-N 305.261 3.004 5 40 DGBB O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 69898783 MVDURMQLNSVLJV-UHFFFAOYSA-N 314.345 3.003 5 40 DGBB Cc1[nH]nc(C(F)F)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 95455776 AZUDHGRDRMAAFL-UHFFFAOYSA-N 311.248 3.208 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NCc1nnc(C2CC2)n1C1CC1 127037806 NJKLTWWPVNTRKH-UHFFFAOYSA-N 313.361 3.319 5 40 DGBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 5025357 AMSGRRWUAWJZRZ-MRVPVSSYSA-N 320.328 3.060 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc12 73641852 CSBZTUASHZFWHI-UHFFFAOYSA-N 316.244 3.329 5 40 DGBB COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccs1 55684 DOJVXUGYSIXPON-VOTSOKGWSA-N 305.311 3.223 5 40 DGBB Cc1cc(C)cc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)c1 5697711 WDNRGXGSSNJBRX-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1F 5104217 PRAWBUKFKANNSS-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)c2ccccc21 41968304 MKEOYHCCFCQKGZ-LLVKDONJSA-N 311.341 3.452 5 40 DGBB O=[N+]([O-])c1c(NC2CCN(C3CC3)CC2)ccc2ncccc12 42109866 GYRUFQDLYUKSSL-UHFFFAOYSA-N 312.373 3.182 5 40 DGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 12784232 KQGKXOJZHAKFEY-UHFFFAOYSA-N 300.289 3.475 5 40 DGBB CCOC(=O)Cn1c2ccccc2c(=O)c2oc3ccccc3c21 43190973 ZIWJVCJTRJLZMN-UHFFFAOYSA-N 321.332 3.464 5 40 DGBB O=C1[C@H](Sc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 67428326 MXXDXCNXQVKHSX-OAHLLOKOSA-N 314.366 3.492 5 40 DGBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 4247136 WIQXGVFAMBOGCP-UHFFFAOYSA-N 309.325 3.499 5 40 DGBB biogenic,in-vitro O=[N+]([O-])c1ccc(NCCNCc2ccccc2)c(Cl)c1 16480059 YDVGLZMTGKVGKT-UHFFFAOYSA-N 305.765 3.450 5 40 DGBB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=S)N(C)C)o1 40542529 RGWOJPOHRNXLJF-UHFFFAOYSA-N 306.343 3.101 5 40 DGBB CC(=O)c1ccccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 72986947 WSGIJNTYOGGDIJ-LLVKDONJSA-N 312.325 3.288 5 40 DGBB CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 225990123 AOHREEBACVHMSA-UHFFFAOYSA-N 314.316 3.429 5 40 DGBB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 13167552 DFBGHKPQYHNWRG-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB COc1cc(NCCCCn2ccnc2C)c([N+](=O)[O-])cc1F 95412083 DIAXSZFTXSOAJV-UHFFFAOYSA-N 322.340 3.140 5 40 DGBB O[C@@H]1c2cc3ccc4cccc5ccc(c2[C@@H]2O[C@H]2[C@@H]1O)c3c45 2001188 DQEPMTIXHXSFOR-ZRNYENFQSA-N 302.329 3.432 5 40 DGBB biogenic,in-vitro O=C(C[C@@H](SCCO)c1ccc([N+](=O)[O-])cc1)c1ccco1 2637957 OFMNVGMMQFXGPK-OAHLLOKOSA-N 321.354 3.227 5 40 DGBB O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)cc2)cc1 8418782 FMEUJEOPULMFGC-UHFFFAOYSA-N 305.765 3.450 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cc(Cl)ccn1 25833404 LEEIRFQDRMLQQB-JTQLQIEISA-N 319.748 3.476 5 40 DGBB CC(=O)c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 54389151 PGUVFJVRBXSDQL-UHFFFAOYSA-N 300.314 3.158 5 40 DGBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 3571288 ZALUGFBEWKIMQJ-UHFFFAOYSA-N 324.292 3.116 5 40 DGBB COc1ccc(NC(=S)Nc2ccccc2)c([N+](=O)[O-])c1 6027256 FQYPYOAKAYYPHA-UHFFFAOYSA-N 303.343 3.412 5 40 DGBB O=C1CC(c2ccc(Cl)cc2)=NN1c1ccc([N+](=O)[O-])cc1 16401232 OHPQCURKCCFOFC-UHFFFAOYSA-N 315.716 3.389 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1cccs1 24946633 UCYBHRAFRRSBIB-BQYQJAHWSA-N 302.355 3.328 5 40 DGBB O=[N+]([O-])c1ccccc1OCCSc1nccn1C1CC1 48375151 MMINIDYEJDBWHT-UHFFFAOYSA-N 305.359 3.297 5 40 DGBB Cc1sc(C(=O)NCCSC(C)(C)C)cc1[N+](=O)[O-] 66737140 GCHITIPAWGXKIB-UHFFFAOYSA-N 302.421 3.226 5 40 DGBB O=C(NC1(c2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] 75142279 ZTLKWGIBWUXVDY-UHFFFAOYSA-N 300.289 3.153 5 40 DGBB O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)nc1 78671302 ODSAULVJWCYTKI-UHFFFAOYSA-N 318.280 3.120 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(-n2cccn2)cc1 84651644 XTVUSZMOLPQAOE-GFCCVEGCSA-N 309.329 3.349 5 40 DGBB Cc1sc2nc(Cc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2c1C 3331395 BUMRWXNESZMMNM-UHFFFAOYSA-N 315.354 3.100 5 40 DGBB Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1F 7813727 SRCNZKALHDURBI-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 6526208 VXLVACFSGGLQNJ-UHFFFAOYSA-N 323.761 3.446 5 40 DGBB COC(=O)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 17053078 JCNASIRHJIWICD-UHFFFAOYSA-N 315.285 3.025 5 40 DGBB CN(C)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 38201202 FFOFPAJOCSSEMW-UHFFFAOYSA-N 322.393 3.490 5 40 DGBB CC(C)(C)OC(=O)NC1CCN(c2ccccc2[N+](=O)[O-])CC1 52450244 TWVQFWFIVYGRGW-UHFFFAOYSA-N 321.377 3.088 5 40 DGBB CCOc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] 69558938 ZEELGDBYXWQZAW-UHFFFAOYSA-N 318.304 3.063 5 40 DGBB O=[N+]([O-])c1cc(-c2nc3ccccc3s2)c(O)c([N+](=O)[O-])c1 146260875 RAKOOMKSAYZXPW-UHFFFAOYSA-N 317.282 3.485 5 40 DGBB CC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2[N+](=O)[O-])c1C 5216462 HJVPYIGGWVGCRJ-UHFFFAOYSA-N 316.313 3.004 5 40 DGBB CN(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 17918041 ODHRZXKUNVXZGD-UHFFFAOYSA-N 318.760 3.449 5 40 DGBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C 91364336 KDBDFFJYINSEQA-LBPRGKRZSA-N 321.377 3.040 5 40 DGBB CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 512455 QTULVPCBTMDNPO-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB CN(C)c1cccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)c1 1463316 SCUGOHMOULXWKA-INIZCTEOSA-N 317.414 3.445 5 40 DGBB O=C(/C=C/c1nc2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 8705095 PDCKNNZUDOHFOX-CMDGGOBGSA-N 309.281 3.388 5 40 DGBB Cn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccco1 42097248 DGYJIFGGRUEHHD-UHFFFAOYSA-N 320.305 3.274 5 40 DGBB Cc1cccc(C)c1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224742521 CYFHYYTVSXLJPD-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccccc1Cl 480181 GVZAIHMCMPOQBH-UHFFFAOYSA-N 323.761 3.374 5 40 DGBB O=[N+]([O-])c1ccc(SCCc2ccccn2)c([N+](=O)[O-])c1 3154007 JQACCHPORWONGE-UHFFFAOYSA-N 305.315 3.233 5 40 DGBB Cc1nn(C)c(N(C)Cc2ccc3ccccc3c2)c1[N+](=O)[O-] 51323321 JJCIHNKZBYZMOK-UHFFFAOYSA-N 310.357 3.426 5 40 DGBB CC(=O)Nc1ccc(C)cc1OCc1cccc([N+](=O)[O-])c1 69709541 UZLLEXPXNBFWLJ-UHFFFAOYSA-N 300.314 3.441 5 40 DGBB CN(Cc1ccc([N+](=O)[O-])cc1)Cc1noc(-c2ccccc2)n1 79354079 CNBDOJQUHPAEKG-UHFFFAOYSA-N 324.340 3.277 5 40 DGBB CC(C)c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1728603 JOWJUFBTBSSNTD-UHFFFAOYSA-N 321.354 3.486 5 40 DGBB Cc1c(C=O)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 2584090 LNKGNWZLFFDPOP-UHFFFAOYSA-N 308.293 3.199 5 40 DGBB C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 14183202 SCRXHARRPXKWJM-UWVGGRQHSA-N 311.769 3.156 5 40 DGBB Cc1c(OCc2nc(-c3ccco3)no2)cccc1[N+](=O)[O-] 47355326 KAAISIGAGCQYHJ-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1 71977423 XDCZSJHEFXQBTN-UHFFFAOYSA-N 322.324 3.310 5 40 DGBB COc1ccc(CNc2cc(CO)ccc2Cl)cc1[N+](=O)[O-] 95981698 SLRHCMRIXFTCQN-UHFFFAOYSA-N 322.748 3.361 5 40 DGBB O=C(Nc1ccncc1[N+](=O)[O-])NC1CC(c2ccccc2)C1 97080923 ANKRKLMBCGWQNW-UHFFFAOYSA-N 312.329 3.058 5 40 DGBB Cc1cc(N2C[C@H](c3ccsc3)O[C@H](C)C2)ncc1[N+](=O)[O-] 110682043 CTWPYLBRQZVUNM-BXUZGUMPSA-N 319.386 3.326 5 40 DGBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccco1 27945 DOSHLCJYWSSKGT-GHXNOFRVSA-N 318.672 3.186 5 40 DGBB O=c1[nH]c2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1 20666675 LBXJVISQYZQJLT-UHFFFAOYSA-N 304.693 3.161 5 40 DGBB Cc1ccc(-c2nc(Cn3nc(C)c([N+](=O)[O-])c3C)cs2)o1 32315763 JYNYUWCWWOMLMJ-UHFFFAOYSA-N 318.358 3.481 5 40 DGBB C[C@@H]1CCCC[C@@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] 84692100 NZIWLIPPVQTWBB-OLZOCXBDSA-N 318.377 3.250 5 40 DGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)cc1 236127 ATJTXDCEHWEBNN-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nncn2-c2ccccc2)cc1 3543040 DAKGTRDCTPCTKJ-UHFFFAOYSA-N 312.354 3.468 5 40 DGBB Cc1nc(Cl)c(C(=O)N2CCC(C)CC2)c(C)c1[N+](=O)[O-] 4754024 QWECNJHUPVEHPT-UHFFFAOYSA-N 311.769 3.132 5 40 DGBB C[C@H](Oc1cccnc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 7371760 LOJKQEIQBJDQFA-JTQLQIEISA-N 312.285 3.180 5 40 DGBB CCCc1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn12 8392310 SSQCMEVHUPPZHN-RMKNXTFCSA-N 315.358 3.217 5 40 DGBB CC[C@@H](NC(=O)c1cc(C)nn1CC)c1cccc([N+](=O)[O-])c1 96454695 VWLNFRBZXIBAGW-CQSZACIVSA-N 316.361 3.001 5 40 DGBB CC(=O)Nc1c([N+](=O)[O-])cc(C)c(Cl)c1Br 98087288 HCDMMMHCHBIUEA-UHFFFAOYSA-N 307.531 3.278 5 40 DGBB CC(C)c1nc2sc3c(ncn4nnnc34)c2c2c1CCCC2 541554 YNOWPJFXESMESI-UHFFFAOYSA-N 324.413 3.284 5 40 DGBB CCCCN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 7261568 QEFXDPKGTBETGC-XFXZXTDPSA-N 306.343 3.431 5 40 DGBB COc1c(C)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1C 9141829 GMROHGJIRMVINW-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB Cc1cc(C(=O)Nc2ccccc2CN(C)C)ccc1[N+](=O)[O-] 24644528 GRQBDFYYMZJZAZ-UHFFFAOYSA-N 313.357 3.217 5 40 DGBB O=[N+]([O-])c1cnn(CCSc2nnc(C3CCCCC3)o2)c1 74783145 RTYCTAPCKVACSR-UHFFFAOYSA-N 323.378 3.014 5 40 DGBB C[N@+]12CCCC[C@H]1[C@H](COCC(=O)Oc1ccccc1)CCC2 247692083 WWQWQFSJWQNUDV-XKGZKEIXSA-N 318.437 3.018 5 40 DGBB biogenic,in-vitro Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2746002 ILWUJZDOOMUWPD-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB COc1ccc(-c2ccc(OC)c(OC)c2OC)c([N+](=O)[O-])c1 1653879 FMKXKFXUJQNAHC-UHFFFAOYSA-N 319.313 3.296 5 40 DGBB COCCNC(=S)Nc1ccc2cc3ccccc3nc2c1 409188114 ASHYNWMVBUDRBJ-UHFFFAOYSA-N 311.410 3.321 5 40 DGBB CN(C)/C=C/c1cc(Br)c2ncccc2c1[N+](=O)[O-] 72220785 ZJVZRQAEGNIBPC-FNORWQNLSA-N 322.162 3.438 5 40 DGBB CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 5500884 NUQMDPIGWMFCGA-UHFFFAOYSA-N 317.389 3.067 5 40 DGBB CC(C)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1 5971412 IWOQTJPZZIHSED-UHFFFAOYSA-N 315.329 3.131 5 40 DGBB NC(=O)c1ccc(CSc2ncccc2Cl)c([N+](=O)[O-])c1 11251824 YRGYKZLITICUMK-UHFFFAOYSA-N 323.761 3.034 5 40 DGBB O=c1c2cc(F)c(F)c(F)c2sc2nc3ccccc3n12 1425215 REQGBYIHIIFISZ-UHFFFAOYSA-N 306.268 3.480 5 40 DGBB O=C(NCCSCc1ccccc1)c1ccccc1[N+](=O)[O-] 8369130 WUPYIKOUIHSJJN-UHFFFAOYSA-N 316.382 3.258 5 40 DGBB Cc1nc(COC(=O)c2ccccc2[N+](=O)[O-])nc2ccccc12 25264887 JEPDIKCSYJXGCQ-UHFFFAOYSA-N 323.308 3.203 5 40 DGBB Cc1c(NC(=O)NCc2ccccc2F)cccc1[N+](=O)[O-] 40099075 JPGABGVXRXKPMU-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB CCN(CC)C(=O)CSc1ccc([N+](=O)[O-])c2cccnc12 92687932 FLRVUSKECCOEJX-UHFFFAOYSA-N 319.386 3.104 5 40 DGBB CC(=O)c1ccc(NC[C@@](C)(O)c2cccs2)c([N+](=O)[O-])c1 96417349 JBEWJTJDSOJSIO-OAHLLOKOSA-N 320.370 3.179 5 40 DGBB CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C 2628881 XWCIAOHAYXOKRC-UHFFFAOYSA-N 316.313 3.099 5 40 DGBB CCCCC(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 3200971 HWVJPAXZJSPZIK-UHFFFAOYSA-N 309.347 3.342 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@]23C 3893539 KSTMBVIMPFZXMJ-BEMMVCDISA-N 316.357 3.129 5 40 DGBB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2[N+](=O)[O-])o1 4740809 MVDGXDMZDGHAPM-UHFFFAOYSA-N 321.358 3.352 5 40 DGBB C[C@H]1CCCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)C1 4995348 JAERIEOOKGXMLO-JTQLQIEISA-N 316.317 3.288 5 40 DGBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 6587397 FXJXNSIDEXKEBF-SNVBAGLBSA-N 315.285 3.245 5 40 DGBB COc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1O 7981467 NUFFREZLPYLLJR-UHFFFAOYSA-N 302.286 3.255 5 40 DGBB Cc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 17964333 KWJWLJSNVBSWID-NSHDSACASA-N 300.314 3.100 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 89780846 RUXKWQJKYFQJDL-AWEZNQCLSA-N 315.333 3.077 5 40 DGBB C/C=C1\C[N@+]2(C)CC[C@@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@H]42 504316782 KXHTZJQVMGTREI-PBPLCECHSA-O 323.416 3.357 5 40 DGBB COc1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 3321527 PBGBYNMTSXSMNQ-UHFFFAOYSA-N 317.297 3.049 5 40 DGBB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C)nc2[N+](=O)[O-])c1 4892090 WYNIPAJZZNSVAY-LBPRGKRZSA-N 315.329 3.013 5 40 DGBB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 5172819 ZLYNLUDWUGPHEU-ZSOIEALJSA-N 312.256 3.078 5 40 DGBB CCc1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5877425 ODSVIFWJZLNERS-UHFFFAOYSA-N 300.314 3.424 5 40 DGBB Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] 14396284 ALXNXXNSOUKQFS-LLVKDONJSA-N 318.304 3.448 5 40 DGBB CC(C)OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 40091223 VHKGLJSXJJRUOS-UHFFFAOYSA-N 302.286 3.347 5 40 DGBB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 55676393 GSCUKWDZGDROJV-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=[N+]([O-])c1c(NCc2ccc3c(c2)CCC3)nc2sccn12 71811046 DAJSOWORZZRIJT-UHFFFAOYSA-N 314.370 3.405 5 40 DGBB NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc12 73641932 PNKVFOZECLRWKM-UHFFFAOYSA-N 317.688 3.155 5 40 DGBB CN(Cc1csc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 96441576 ZALNNFKMCZMHEV-AWEZNQCLSA-N 306.387 3.212 5 40 DGBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 158006245 WRIWBKDRMLCNAL-CQSZACIVSA-N 303.293 3.010 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@H]3OCCC[C@@H]31)CCC2 248997859 PPBACDAOLABGBH-DZUCGIPZSA-N 302.374 3.129 5 40 DGBB O=C(Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3355838 HDFQSRLNIKIKKG-UHFFFAOYSA-N 313.338 3.386 5 40 DGBB O=C(O)CSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 6474674 PSBSPFFXKZSXFG-UHFFFAOYSA-N 317.322 3.003 5 40 DGBB CNc1ccc(CN(C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] 195561956 FBBMNCVKMZWCLM-GFCCVEGCSA-N 300.362 3.225 5 40 DGBB Cn1cnc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 147684 RNESAZOMKXNVCG-UHFFFAOYSA-N 303.265 3.498 5 40 DGBB O=[N+]([O-])c1cccc(-c2nnc(SCc3cccnc3)o2)c1 1378685 XNXXZAVBPNKFKK-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB O=[N+]([O-])c1ccc(NC2CCC(O)CC2)c(C(F)(F)F)c1 37754787 BWVYLSNQQUXZPT-UHFFFAOYSA-N 304.268 3.329 5 40 DGBB CCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(F)ccc21 66256272 OQCGAFISPVKMHX-UHFFFAOYSA-N 316.292 3.078 5 40 DGBB O=[N+]([O-])c1ccc(O[C@@H]2C[C@@H]3[C@H]4C=C[C@H]3[C@H]2C4)c([N+](=O)[O-])c1 102949643 PXIDSKRGSXBQGV-ZFNMXEQFSA-N 302.286 3.092 5 40 DGBB Cc1c(C(=O)N(Cc2ccco2)C2CC2)cccc1[N+](=O)[O-] 12988266 ZNDDKEKYKKZKFK-UHFFFAOYSA-N 300.314 3.301 5 40 DGBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)cc1C 33731182 FBXDFGASOCVKHL-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB CC(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 5540791 INSDWIKPOANFPW-UHFFFAOYSA-N 314.297 3.081 5 40 DGBB CCCCCNC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1 1669879 JFAPTJOHRWDKAH-UHFFFAOYSA-N 308.378 3.310 5 40 DGBB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 3253293 QYPUPJGAFIUEEM-NSHDSACASA-N 320.345 3.045 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOC(C)(C)C1 97380041 QRZYHXFXZITYPG-LBPRGKRZSA-N 321.377 3.291 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCCO2 5569590 KDVCYSLCEYIDPT-UHFFFAOYSA-N 313.309 3.377 5 40 DGBB Cc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1=O 22136787 HLZWZSPETNESLX-UHFFFAOYSA-N 312.329 3.169 5 40 DGBB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 62307 ABIAIGRTEDYPIL-IZZDOVSWSA-N 311.293 3.034 5 40 DGBB biogenic C[N+]12CCC(CC1)[C@@H]([C@@](O)(c1ccccc1)c1cccs1)C2 204030 RTYCBSXJHMCRFB-QVWCLXPZSA-N 314.474 3.470 5 40 DGBB C[N+]1(C)CCc2cc3c(c4c2[C@H]1Cc1ccc(O)cc1-4)OCO3 487621 DQWPYNHMMBDKES-OAHLLOKOSA-O 310.373 3.018 5 40 DGBB biogenic O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2ncccc12 556485 WDKMMTMWNDDVPZ-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB Cc1ccc(S(=O)(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 6845700 PIPKEZHMOBKPRJ-UHFFFAOYSA-N 309.318 3.016 5 40 DGBB Cc1cc(OCC(=O)Nc2cc(C(C)C)no2)ccc1[N+](=O)[O-] 24521058 XXRQJWYTCFWXKU-UHFFFAOYSA-N 319.317 3.032 5 40 DGBB O=[N+]([O-])c1cccc(OCCOc2cc(F)ccc2[N+](=O)[O-])c1 40116338 PUFPQIOTSRGPOW-UHFFFAOYSA-N 322.248 3.100 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2cnco2)c1 48205380 VEPIAWWZPFWJLW-UHFFFAOYSA-N 323.308 3.431 5 40 DGBB O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccsc1 71804222 ZZRJHBUXHOLCJA-UHFFFAOYSA-N 314.326 3.094 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)cc1C 4301483 YIOPSFBAKKWSEF-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2nccs2)CC1 9322744 HIRMAZJIRYCLRY-UHFFFAOYSA-N 324.793 3.031 5 40 DGBB O=[N+]([O-])c1ccc(NCc2cccnc2OC2CCCC2)nc1 32923689 OZMWZEMCDQTYHO-UHFFFAOYSA-N 314.345 3.318 5 40 DGBB CC(=O)Nc1cccc2c1CCN(c1ccccc1[N+](=O)[O-])C2 54125383 VDMVGDADVFGCRX-UHFFFAOYSA-N 311.341 3.116 5 40 DGBB O=[N+]([O-])c1c(O)c(Br)cc(F)c1OC(F)(F)F 98211007 PFPYGUXRHHVOTN-UHFFFAOYSA-N 319.992 3.101 5 40 DGBB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] 62162 YLDZSPWGWMHEOL-NTEUORMPSA-N 308.293 3.248 5 40 DGBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)NC1CC1 2634218 RGDTZCYQFOUGRR-UHFFFAOYSA-N 319.360 3.428 5 40 DGBB Cc1nn(CC(=O)c2c(C)[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 4548839 UBAYWWNWCBLKSB-UHFFFAOYSA-N 312.329 3.081 5 40 DGBB CCN[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 5573817 BXKCZNYOQQSFQB-INIZCTEOSA-N 320.389 3.310 5 40 DGBB Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)s1 8389891 XZYBKJJLBZKVQG-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](c2ccsc2)O1 96469380 WCIKHYPZXCCYBH-GXFFZTMASA-N 305.359 3.018 5 40 DGBB COC(=O)c1ccc(COc2cc(F)ccc2[N+](=O)[O-])cc1 7977506 KFMMMIIAUYJYAI-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB CCOc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 4819008 OIVIACZUONLEHQ-UHFFFAOYSA-N 300.274 3.273 5 40 DGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 15696062 GXZNNKUCBFRKKD-JTQLQIEISA-N 320.295 3.293 5 40 DGBB O=C([C@@H]1CCOC1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 69700956 JLSNYUBVMZKNOY-LLVKDONJSA-N 324.764 3.028 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1 3228457 NRWDBDQKLBCTMY-ZHACJKMWSA-N 311.293 3.034 5 40 DGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 3523606 MQVHNCCMPYINIB-UHFFFAOYSA-N 312.325 3.101 5 40 DGBB CN[C@](C)(COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 6491045 PZZUDNGAXWSHOX-QGZVFWFLSA-N 320.389 3.310 5 40 DGBB CCCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 7321758 ZKHVTXQAVUGRSE-UHFFFAOYSA-N 324.387 3.201 5 40 DGBB O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(O)cc2)CC1 57839696 UEMKQWUOGSGBNP-UHFFFAOYSA-N 324.336 3.230 5 40 DGBB Cc1sc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 67107277 QFNOBAVTHXAAJF-NEPJUHHUSA-N 320.345 3.390 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1-c1cccnc1 95982608 VIMYHJXENBYQJA-UHFFFAOYSA-N 323.356 3.012 5 40 DGBB Cc1ccc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1 160115329 SBFKXKMFPCOVDZ-UHFFFAOYSA-N 317.370 3.337 5 40 DGBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 226862710 FQWMDHCLQVMJKY-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB COc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 40489443 QMWBOXRBVOELFI-CYBMUJFWSA-N 316.313 3.174 5 40 DGBB Cc1cc(C)n2cc(CNc3cc([N+](=O)[O-])ccc3C)nc2n1 98073672 SPKUPJJCLZIDOB-UHFFFAOYSA-N 311.345 3.175 5 40 DGBB O=[N+]([O-])c1cccc(Br)c1OCC(F)(F)F 169800485 XFMSCGYCAUZYRE-UHFFFAOYSA-N 300.030 3.298 5 40 DGBB O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 569745 JLTUSVWOZIFRBK-UHFFFAOYSA-N 311.341 3.447 5 40 DGBB CC(=O)Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1C2=O 1696173 OVVVTBCHYSCXGH-UHFFFAOYSA-N 316.700 3.418 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)cc1OC 45957570 XWQPSPCZIQXXTM-NSHDSACASA-N 322.361 3.159 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CCOCC1 97145796 IXQFMJDGZOXTME-LBPRGKRZSA-N 321.377 3.148 5 40 DGBB Cc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 63289 JRIYADOIEMOODQ-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 7371762 LOJKQEIQBJDQFA-SNVBAGLBSA-N 312.285 3.180 5 40 DGBB CN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] 15249354 SWJGAKVTUYIBJG-OFAQMXQXSA-N 309.325 3.132 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccnc1 24238086 BJMJWTOIYOUSSU-OAHLLOKOSA-N 312.329 3.359 5 40 DGBB Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] 8395351 FCCCZRPGCIPAPX-AWEZNQCLSA-N 312.325 3.157 5 40 DGBB Cc1ccc(CNc2nnc(C(F)F)s2)cc1[N+](=O)[O-] 97115611 ZBLGGUMQINMMGJ-UHFFFAOYSA-N 300.290 3.304 5 40 DGBB COc1cc(Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F 183939051 UYRJMZSUDLOLMN-UHFFFAOYSA-N 301.277 3.141 5 40 DGBB O=C1c2ccccc2C(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-] 1577777 AMFNAKSJUSXGSR-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(Cl)cc1 4434077 NODWOCNAUJOBOZ-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB CSc1ccc(C(=O)Nc2ccc(C)cn2)cc1[N+](=O)[O-] 9316373 RXQKJDDHKNYBQC-UHFFFAOYSA-N 303.343 3.272 5 40 DGBB COc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1OC 57387794 FAYBOMOULZFWSI-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=CNc1ccccc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 1682868 YONMSMVWSXKDNQ-UHFFFAOYSA-N 318.310 3.013 5 40 DGBB CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1 2679921 SGEDQBGMXDQROZ-AWEZNQCLSA-N 324.421 3.139 5 40 DGBB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc([N+](=O)[O-])cc1 100998735 YYOXJAXRJYYQII-INIZCTEOSA-N 309.325 3.176 5 40 DGBB O=C(c1cc(NC2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 58380597 KRWXMNLZQSHOFY-UHFFFAOYSA-N 303.362 3.185 5 40 DGBB O=C(COc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 3315569 OSBQTYNHXDITFS-UHFFFAOYSA-N 321.716 3.370 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 3581246 FFJQUMSWYLQNOS-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB C[N+]12CCCC[C@@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2 3999895 SDYOTJCUHWNRJA-ZUIVQFGISA-N 304.414 3.416 5 40 DGBB CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527194 UOHUVHGPYZTRLX-UHFFFAOYSA-N 308.381 3.071 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccco2)c1 32841666 CQSRXEOXYMURBQ-VIFPVBQESA-N 306.343 3.401 5 40 DGBB COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 97096129 CHMLVEALQZJBFG-ZDUSSCGKSA-N 319.317 3.005 5 40 DGBB CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2780059 VJNUFBNCVNLHAD-UHFFFAOYSA-N 315.285 3.318 5 40 DGBB CCN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 6061756 SBNAZYBUFLPQHY-UHFFFAOYSA-N 300.314 3.027 5 40 DGBB CC[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 96416626 VBDNFEMYCAGCCX-HNNXBMFYSA-N 319.386 3.035 5 40 DGBB Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 194216311 XGTFWWJERBPTPW-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=c1cc(CNC[C@@H]2CCCO2)c2c(ccc3ccccc32)o1 7987485 QSSCTYXVPCTLEC-HNNXBMFYSA-N 309.365 3.215 5 40 DGBB O=[N+]([O-])c1ccccc1Sc1nnc(N2CCCC2)s1 48894037 BLIYOJANTYDROB-UHFFFAOYSA-N 308.388 3.198 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C1CCCC1 56033667 ASJLPJIFRINTDC-HNNXBMFYSA-N 302.374 3.319 5 40 DGBB CSC[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 72292584 RDUHULZTOJOTNP-LLVKDONJSA-N 309.391 3.120 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc12 73641892 FSKUCIWKTODKRY-UHFFFAOYSA-N 316.244 3.329 5 40 DGBB CC(C)N(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 87200640 GCYCTZKFLJVYDF-UHFFFAOYSA-N 313.357 3.364 5 40 DGBB Cc1c(C(=O)NCC(C)(C)c2ccncc2)cccc1[N+](=O)[O-] 91857591 OSMANEKGNFABSC-UHFFFAOYSA-N 313.357 3.006 5 40 DGBB O=[N+]([O-])c1ccc(CO[C@H]2C[C@H]3[C@H]4CC[C@@H]4[C@H]23)c([N+](=O)[O-])c1 104286419 LCQCZRRBUXXKQU-YLXLXVFQSA-N 304.302 3.064 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3OCCC[C@H]13)CCC2 193331377 PPBACDAOLABGBH-MWQQHZPXSA-N 302.374 3.129 5 40 DGBB Cc1ccc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 69752 DIOBNYUOCAXCKK-UHFFFAOYSA-N 313.338 3.326 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)c(F)c1 9908635 ZBPCHSYCVGAKIS-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB CCONC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12745147 AOZYJOAOHLGZQK-UHFFFAOYSA-N 301.302 3.020 5 40 DGBB C[C@@H](CCc1ccco1)NC(=O)Nc1cccc([N+](=O)[O-])c1 18173791 JIFXIHPGVIBLRS-NSHDSACASA-N 303.318 3.331 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cn2ccnc2)cc1 38853963 WLHAVRDXRUMNHO-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB CCC[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 61586027 PKKDEXZSXICKQG-NSHDSACASA-N 323.368 3.359 5 40 DGBB CCCOc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1 96345888 BOUFGPSMXAFGPD-UHFFFAOYSA-N 301.302 3.031 5 40 DGBB Cc1cc(C)c(-n2c(C)nc3ccccc3c2=O)c([N+](=O)[O-])c1 1697653 JXJJRUJDGUFBLB-UHFFFAOYSA-N 309.325 3.219 5 40 DGBB Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3151014 XGDCLZMLZOGBSA-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB CC(=O)Oc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 4014151 MJQNUHPAPPSGQB-UHFFFAOYSA-N 314.297 3.081 5 40 DGBB O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Cl)cc2)cc1 15109515 FHUDGSCUHMFGGP-OAHLLOKOSA-N 306.749 3.071 5 40 DGBB Cc1nc2c(ccc3ccccc32)c(O)c1CN1CCN(C)CC1 19577245 LXNIRJPYIPJZBP-UHFFFAOYSA-N 321.424 3.149 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1ccc2c(c1)CCC2 65512585 OLXYTRPYSLARPK-UHFFFAOYSA-N 324.336 3.213 5 40 DGBB CCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 78671232 PJMKSUXECWKQSX-ZDUSSCGKSA-N 324.352 3.155 5 40 DGBB Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] 226273657 YKFTVDJGMTVNIK-LLVKDONJSA-N 300.314 3.209 5 40 DGBB C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCCCC1 247694061 YEBJFOUHZMECGW-ZVDOUQERSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro O=C(Oc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 48813 RNEXQCWPPRABEH-UHFFFAOYSA-N 300.295 3.424 5 40 DGBB O=C(COc1ccc(F)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 8709128 OEDBQQXKULAOFC-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB Cc1ccc(N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 60352076 KDSZLYKDCKPALJ-UHFFFAOYSA-N 318.304 3.084 5 40 DGBB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])s1 13013000 QFHJUAJRJLSFCU-UHFFFAOYSA-N 320.326 3.070 5 40 DGBB C[C@H](CC(=O)c1cccs1)NC(=O)c1ccccc1[N+](=O)[O-] 95435164 MTAWJDSDNQPGQA-SNVBAGLBSA-N 318.354 3.048 5 40 DGBB CC(=O)c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1 22137075 BNGGGMTZGCZMBR-UHFFFAOYSA-N 303.343 3.480 5 40 DGBB O=C(O)/C=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 2510941 PXUCWZWRFWCRQN-CMDGGOBGSA-N 309.281 3.007 5 40 DGBB O=C(O)[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15443717 SNQXBGASHVBPGQ-SNVBAGLBSA-N 318.251 3.057 5 40 DGBB O=c1c2ccccc2nc2c3c4c(sc3ncn12)CCCC4 43035 DVOAODKJUFNDAP-UHFFFAOYSA-N 307.378 3.336 5 40 DGBB CCOC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 354053 IZBZICKRNAEDLD-UHFFFAOYSA-N 314.297 3.024 5 40 DGBB C[C@@H](C(=O)Nc1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 1424770 CJZZLBNGYNLHPN-NSHDSACASA-N 310.313 3.144 5 40 DGBB O=C(Nc1nc2c(F)cccc2s1)c1ccc([N+](=O)[O-])o1 2723798 MKONSXYWPKWQTQ-UHFFFAOYSA-N 307.262 3.189 5 40 DGBB O=C(Cc1noc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 8075116 MFBLENWNUQTTAQ-UHFFFAOYSA-N 315.260 3.056 5 40 DGBB Nc1cc2[nH]c(=O)c3cc(F)ccc3c2cc1Br 8627717 CYICCXABTIHNIO-UHFFFAOYSA-N 307.122 3.165 5 40 DGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCCC1 12522974 VQXUHQVGGWQZDH-UHFFFAOYSA-N 320.392 3.214 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cc(Cl)ccn1 25833398 LEEIRFQDRMLQQB-SNVBAGLBSA-N 319.748 3.476 5 40 DGBB CNC(=O)c1cnc(/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)s1 97164172 DAVPVRWZXGGPKU-HWKANZROSA-N 323.761 3.235 5 40 DGBB COC(=O)c1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1 192567089 QYGVTMNIWHXQIV-UHFFFAOYSA-N 304.327 3.069 5 40 DGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C 223300414 IUINSZDXLYAABX-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB CN(C)c1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 255187937 HTMTXBXNDNPBGK-UHFFFAOYSA-N 310.309 3.434 5 40 DGBB O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2ccc(F)cc2)n1 34925941 WLACFDDKHWEFPR-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB O=[N+]([O-])c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c(Cl)c1 43272484 UKERSTZNRURMHV-GFCCVEGCSA-N 322.752 3.367 5 40 DGBB O=C(O)c1cc(OCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 216753701 MYTIJKFYQRZEEM-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 225991177 MGWVZXACWJKXKU-UHFFFAOYSA-N 312.325 3.274 5 40 DGBB CCO[C@@H](C)c1nccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 97142137 NYYZLBBBWNXDFX-JTQLQIEISA-N 316.317 3.078 5 40 DGBB CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccccc1 584904516 GMSSMXZTDHNDPJ-UHFFFAOYSA-N 300.314 3.441 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2)c2ccncc12 69632465 WNJBKYKJBIJOQI-INIZCTEOSA-N 309.325 3.289 5 40 DGBB CC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1 12082690 MYZBMGPSMAFVDL-UHFFFAOYSA-N 308.297 3.484 5 40 DGBB O=[N+]([O-])c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)o1 6787196 OZMNGLXLABIAGT-UHFFFAOYSA-N 313.298 3.021 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1 9114046 YPNNFIKBIZSXTL-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 24542487 ZSPAWYJVAOFTJO-BETUJISGSA-N 306.362 3.072 5 40 DGBB CN(C)c1cc(Br)c([N+](=O)[O-])c(Br)c1 66091774 BTFHJLVOGDJDDI-UHFFFAOYSA-N 323.972 3.186 5 40 DGBB C[C@H](Nc1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 67368686 ISJJJTZXMOQEEM-QMMMGPOBSA-N 323.150 3.320 5 40 DGBB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] 85333440 VPNIORGTYKHCGB-GFCCVEGCSA-N 321.377 3.406 5 40 DGBB CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 96432321 YQNRSRJSPFFHEG-NEPJUHHUSA-N 308.403 3.341 5 40 DGBB Cc1c(C(=O)n2cc(C=O)c3ccccc32)cccc1[N+](=O)[O-] 216959867 GDWQVZTZGUUKGR-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB CN(C)C(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 3128448 SGOVCMQLRQSZCX-UHFFFAOYSA-N 310.306 3.290 5 40 DGBB CCOc1nnc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 58183047 UIXDEPTWSRGPAB-JTQLQIEISA-N 322.390 3.038 5 40 DGBB O=[N+]([O-])c1cccnc1Nc1cccc(OC[C@H]2CCCO2)c1 32776852 CIZGHYXNKPOUIF-CQSZACIVSA-N 315.329 3.291 5 40 DGBB O=C(CSc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 80174 MXDHNMGVRFIAKV-UHFFFAOYSA-N 317.322 3.268 5 40 DGBB O=C(OCC1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3150996 HELLRIUUVMFYIP-UHFFFAOYSA-N 308.290 3.240 5 40 DGBB O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2ccccc2)CC1 57292052 WBHSFTOQQCONPY-UHFFFAOYSA-N 315.348 3.056 5 40 DGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 2223038 WQHUIJRWDOMEPD-UHFFFAOYSA-N 311.637 3.002 5 40 DGBB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 5004114 UMQQXOPMXGZMCZ-GDBMZVCRSA-N 318.373 3.016 5 40 DGBB biogenic O=C(NCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 5443316 BIQMRFGZEVPGAM-UHFFFAOYSA-N 304.733 3.221 5 40 DGBB COc1ccc(CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 5674117 SBGFZGVILKLTID-UHFFFAOYSA-N 301.298 3.003 5 40 DGBB CC(C)OCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 9724685 CLYSLQPUFVCAJE-UHFFFAOYSA-N 322.386 3.354 5 40 DGBB N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1 4141322 MPUNTLMLEFNREM-UHFFFAOYSA-N 309.281 3.073 5 40 DGBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccco1 4381582 SCLCXTQMKNCVFJ-UHFFFAOYSA-N 322.276 3.137 5 40 DGBB Cc1cc(C)cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 9085128 SXOWSEXMOODFQX-UHFFFAOYSA-N 310.309 3.008 5 40 DGBB O=[N+]([O-])c1ccccc1[C@H](O)[C@@H](c1ccccc1)[n+]1ccccc1 1556123 SXEIUHKAEFPPJK-MOPGFXCFSA-N 321.356 3.205 5 40 DGBB COc1ccccc1-n1c(S)nc2cc([N+](=O)[O-])ccc21 3186068 WOHMDGFVFHFWFM-UHFFFAOYSA-N 301.327 3.231 5 40 DGBB Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 5007920 TZEBNEZKMZCBHP-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 14292029 MZHCEDJCOXOBDU-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 994355 XBDXYVGGHHSHED-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB CC(C)c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1C1CC1 22420124 OPPAYTFPVIOHKG-UHFFFAOYSA-N 305.363 3.191 5 40 DGBB O=C(NCc1ccccc1[N+](=O)[O-])c1csc2c1CCCC2 46136756 GHYGCRBPSIAVOS-UHFFFAOYSA-N 316.382 3.465 5 40 DGBB O=[N+]([O-])c1ccccc1N(Cc1cccnc1)C[C@@H]1CCCO1 89814076 ARNNQCOYNAPAND-HNNXBMFYSA-N 313.357 3.175 5 40 DGBB Cc1sc(C(=O)Nc2cccc3cn[nH]c23)cc1[N+](=O)[O-] 24440286 IASOEUMZIHDVOX-UHFFFAOYSA-N 302.315 3.093 5 40 DGBB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])o1 43549528 MVEWEBIRVDJQFB-INIZCTEOSA-N 323.308 3.102 5 40 DGBB Cc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1[N+](=O)[O-] 6524696 OFGFGBVIGLHBFZ-UHFFFAOYSA-N 303.343 3.101 5 40 DGBB Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 5089835 YINGVOHJCGRBIR-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1-n1cccc1 12417704 MKLYDAQFEDYPLD-UHFFFAOYSA-N 302.311 3.387 5 40 DGBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccncc3)n2)ccc1Cl 40169658 XBLQXMPXLIXPIE-UHFFFAOYSA-N 301.693 3.095 5 40 DGBB C[C@@H]1CC[C@@H](CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)O1 195531228 RHTOUMTZNDHURW-JMSVASOKSA-N 306.362 3.120 5 40 DGBB C[N+](C)(C)c1cc(Br)c(O)c(Br)c1 1757434 HCXPYHFEYAIPHR-UHFFFAOYSA-O 310.009 3.114 5 40 DGBB Cc1ccc(-n2c(C)nc3oc4ccccc4c(=O)c3c2=O)cc1 2224828 WVNMAZCHHQLWIY-UHFFFAOYSA-N 318.332 3.109 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(C[C@H]2CCCO2)c1 48260839 SACPMQLISCPFGK-GFCCVEGCSA-N 322.752 3.367 5 40 DGBB O=[N+]([O-])c1ccc(CNc2nnc(CC3CC3)o2)c(Cl)c1 97085399 XIKIRYCGCWJRKT-UHFFFAOYSA-N 308.725 3.196 5 40 DGBB Cc1cc(NC(=S)NCc2ccccc2)ccc1[N+](=O)[O-] 408586777 QTEJLPBQTITPSB-UHFFFAOYSA-N 301.371 3.390 5 40 DGBB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 6628345 JCLFNEYSHYJDHJ-UHFFFAOYSA-N 314.297 3.008 5 40 DGBB Cc1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 20897908 SJNWGJAKDITUGC-UHFFFAOYSA-N 300.274 3.158 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)c1ncnc2sccc12 46485545 KBCPOZOIVQXNSC-UHFFFAOYSA-N 300.343 3.236 5 40 DGBB C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 81805111 WTBIFXKGQTYHBM-JTQLQIEISA-N 320.370 3.065 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N(CC(F)F)c1ccc(F)cc1 193863120 PULLVQKKUISRLF-UHFFFAOYSA-N 314.219 3.239 5 40 DGBB CCn1c(C)cc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)c1C 25254927 LKVCHEYPWXZJCA-UHFFFAOYSA-N 315.373 3.305 5 40 DGBB COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] 25560659 DUGNCAZUYRDACT-UHFFFAOYSA-N 319.342 3.190 5 40 DGBB CS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 42818749 KWYOEXOEBBLSOV-QMMMGPOBSA-N 323.399 3.408 5 40 DGBB Cc1nn(C[C@@H](O)c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] 44260939 AWWPCOFABGJJNR-OAHLLOKOSA-N 303.362 3.265 5 40 DGBB O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)-c1ccccc1C2 74061511 KEZFZKWOTAQKMQ-UHFFFAOYSA-N 319.320 3.245 5 40 DGBB COc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1[N+](=O)[O-] 216959416 FRVYSPQZZNHLNW-UHFFFAOYSA-N 324.292 3.059 5 40 DGBB O=c1[nH]c2cc3ccccc3c(=O)n2c2sc3c(c12)CCCC3 195939 RCEMQBSAGQMBNC-UHFFFAOYSA-N 322.389 3.235 5 40 DGBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1 1509813 DADMZFFNAIEFHE-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB COc1ccc(C)cc1Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 5158526 CSAYXUVPUDUXAA-UHFFFAOYSA-N 302.286 3.354 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N(Cc1ccco1)C1CC1 29009964 WKLLPYCWGZSDQR-JXMROGBWSA-N 312.325 3.392 5 40 DGBB Cc1cccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1C 226862671 FVTQYKQTLOGQAU-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 4138061 IVNIMDZBVHNVOZ-UHFFFAOYSA-N 309.325 3.315 5 40 DGBB aggregator Cc1noc(C)c1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 4808356 GFTRFIXNQJVBMI-UHFFFAOYSA-N 310.693 3.210 5 40 DGBB CC(=O)c1ccc(NC[C@](C)(O)c2cccs2)c([N+](=O)[O-])c1 96417348 JBEWJTJDSOJSIO-HNNXBMFYSA-N 320.370 3.179 5 40 DGBB C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 97080084 GFJHBZVNWHAZRB-JTQLQIEISA-N 316.313 3.259 5 40 DGBB O=[N+]([O-])c1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 108257750 WGPUBARQNYBGDS-UHFFFAOYSA-N 300.314 3.387 5 40 DGBB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 4619164 ULGQGSNRALKMDS-LLVKDONJSA-N 320.370 3.171 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 7916204 ULUZRZLTIXVIIJ-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccccn1 14857871 KBXMVYBYGFIJSZ-FNORWQNLSA-N 318.716 3.400 5 40 DGBB O=[N+]([O-])c1ccccc1CN(Cc1nnsc1Cl)C1CC1 95432403 ZDUKMAOZYFYLTM-UHFFFAOYSA-N 324.793 3.264 5 40 DGBB Cc1cccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c12 103129203 UGFGEGYSYKKMMR-UHFFFAOYSA-N 323.352 3.357 5 40 DGBB C[C@@H]1CC[C@H](CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)O1 195531229 RHTOUMTZNDHURW-LALPHHSUSA-N 306.362 3.120 5 40 DGBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccccn1 4854958 RFTXLRHEOJKBEX-UHFFFAOYSA-N 311.257 3.190 5 40 DGBB COc1ccc(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 5109358 QUZQAMDDXZVHLA-LLVKDONJSA-N 301.298 3.254 5 40 DGBB O=C(c1ccc(Cl)cc1)n1ncc2cc([N+](=O)[O-])ccc21 5894535 ROUYDOQMWPXPNZ-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB CCNc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] 9339047 VQNUMLOPPDWLAW-UHFFFAOYSA-N 315.329 3.288 5 40 DGBB CC(C)OC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 32923568 WMDCABVDBGIXOG-UHFFFAOYSA-N 302.286 3.347 5 40 DGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOc2ccccc21 36763961 RBNSRAIWYCGDGV-UHFFFAOYSA-N 318.716 3.287 5 40 DGBB CN(C)[C@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 58172413 PKUDNCIGQBFRDB-OAHLLOKOSA-N 305.403 3.049 5 40 DGBB O=[N+]([O-])c1cccc(CNc2nnc(-c3cccs3)o2)c1 97375464 SVGUAENQXPIRJJ-UHFFFAOYSA-N 302.315 3.318 5 40 DGBB O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2790440 CABJEUTZXBAHQW-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCCCCC2)cc1 8338525 DWDJIZVWSPSPHQ-UHFFFAOYSA-N 315.377 3.452 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)cc1 40095746 LQQJKHFFSKUURN-UHFFFAOYSA-N 303.293 3.364 5 40 DGBB Cc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cn1 50212347 BURYTRZRYJVFEL-UHFFFAOYSA-N 310.107 3.248 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@@H]1CC[C@@]23C 100631943 KSTMBVIMPFZXMJ-SPOWBLRKSA-N 316.357 3.129 5 40 DGBB COc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 226293195 NGYHZKFTEVJNRE-INIZCTEOSA-N 303.314 3.002 5 40 DGBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1 5109294 XWJPJELEYACSJF-ZDUSSCGKSA-N 318.373 3.369 5 40 DGBB Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 9316391 PUQNHPBUIBOXDW-UHFFFAOYSA-N 312.329 3.125 5 40 DGBB Cc1n[nH]c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1 78443317 AVIYKDNJXFAJRG-UHFFFAOYSA-N 308.363 3.101 5 40 DGBB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc([N+](=O)[O-])c1 430177 HZDCTVIJNHXAHL-NTEUORMPSA-N 312.256 3.078 5 40 DGBB O=C(Cc1ccc2c(c1)CCC2)OCc1ccc([N+](=O)[O-])cc1 7297059 FTSAGFUSYWSXIQ-UHFFFAOYSA-N 311.337 3.369 5 40 DGBB CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C 12741633 NKMSPQVYBQQJTR-OAHLLOKOSA-N 322.409 3.083 5 40 DGBB CC(C)n1cnnc1CCNc1ccc([N+](=O)[O-])cc1Cl 70040302 XESAAZXCVMQFBW-UHFFFAOYSA-N 309.757 3.075 5 40 DGBB CCCN1CCCC[C@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 77311860 KRANSHYISPICMC-HNNXBMFYSA-N 319.405 3.415 5 40 DGBB in-vitro CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C)c1 95985520 NWUGVHBQQZEVRH-UHFFFAOYSA-N 320.374 3.081 5 40 DGBB O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 3895320 SMHCHKRRKDDZMZ-UHFFFAOYSA-N 306.705 3.266 5 40 DGBB O=[N+]([O-])c1c(N[C@H]2CCc3ccccc3C2)nc2ccccn12 84581798 KFZDBLJQIAROIE-AWEZNQCLSA-N 308.341 3.212 5 40 DGBB CC(=O)c1cc(NCCCNc2ccccn2)ccc1[N+](=O)[O-] 225817604 BKENHOOTZOLKFR-UHFFFAOYSA-N 314.345 3.107 5 40 DGBB CCOc1ccc([C@@H](O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 226292303 QSQVUJKAQBYZCP-MRXNPFEDSA-N 303.314 3.084 5 40 DGBB Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nc1 9154629 ZOOQEMMHTFDBMR-NSHDSACASA-N 317.370 3.418 5 40 DGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn12 8848759 HPQUFKADMBONQG-SECBINFHSA-N 317.736 3.464 5 40 DGBB Cc1n[nH]cc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 37909066 QFCORLWKIMNIOV-UHFFFAOYSA-N 300.240 3.257 5 40 DGBB COc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1[N+](=O)[O-] 10449114 FJWWTWCQALYIQR-UHFFFAOYSA-N 306.362 3.254 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104817005 XLSADTSFKQLQTJ-SRVKXCTJSA-N 304.346 3.368 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1Cl 3430773 XTGSFKFBDLKHGT-UHFFFAOYSA-N 320.732 3.438 5 40 DGBB Cc1ccc(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 18213444 JGDYODAJEMYWPI-UHFFFAOYSA-N 313.357 3.066 5 40 DGBB Cc1cccc(N2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] 225460255 QQHGVMSCZWXECT-UHFFFAOYSA-N 308.403 3.006 5 40 DGBB Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 5228613 CKLVBTBOQMWYRR-UHFFFAOYSA-N 306.705 3.187 5 40 DGBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1C 160286735 OIROPTWCKWNIDJ-UHFFFAOYSA-N 317.370 3.337 5 40 DGBB Cc1cc(C)n([C@H](C[N+](=O)[O-])c2cccc(Br)c2)n1 75215 HNUGYAWIKPZYTP-CYBMUJFWSA-N 324.178 3.129 5 40 DGBB C[N+]1(Cc2ccccc2)CCC(O)(C(=O)c2ccccc2)CC1 1585564 XQFXRVLILZVISP-UHFFFAOYSA-N 310.417 3.041 5 40 DGBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 8156859 OTHULKHHMZIHSG-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1C1CC1 21322809 XWSILASQOPIVKJ-INIZCTEOSA-N 309.325 3.324 5 40 DGBB Cc1cc(N[C@H](C)c2cccc(-n3cncn3)c2)ncc1[N+](=O)[O-] 78985378 XOHNURHJEWOFBH-GFCCVEGCSA-N 324.344 3.052 5 40 DGBB CCCNC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408977931 ZQOHBUAPIFHAKP-UHFFFAOYSA-N 304.353 3.404 5 40 DGBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 7037285 CMLFMSVQZAJFND-MRXNPFEDSA-N 314.341 3.485 5 40 DGBB Cc1ccc(-c2nonc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8915680 IGFVJVNMTVPMJH-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB O=[N+]([O-])c1ccc(OCc2ccc(F)cc2Cl)c(CO)c1 35414917 YOYQVDOCWUFIPV-UHFFFAOYSA-N 311.696 3.459 5 40 DGBB CCCCOCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C 43149903 QIRJBXOFCFDDPT-UHFFFAOYSA-N 309.366 3.232 5 40 DGBB O=C(CCC(=O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1 3253964 CTZNWWQKDYNHEX-UHFFFAOYSA-N 319.338 3.363 5 40 DGBB CNC(=O)c1ccc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 96455262 JEJNYBLYSZSUQK-NSHDSACASA-N 300.314 3.094 5 40 DGBB CCOC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 97163069 FCRKYXDISHFLTD-CYBMUJFWSA-N 321.377 3.184 5 40 DGBB NC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1Cl 226319042 XDAPIHOFDGRTHK-UHFFFAOYSA-N 324.695 3.065 5 40 DGBB O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NCCCN32)cc1 31719362 UDBUNCFKPKTASM-IVAAQHKWSA-N 307.353 3.213 5 40 DGBB C[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCC1 36631460 JZFLHOFOWKJYDY-LJQANCHMSA-N 312.433 3.334 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C 5540724 IBTHJYFSDXLBIH-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1nn([C@@H](C)c2nc(-c3ccccc3)no2)c(C)c1[N+](=O)[O-] 386263 BJGQBPJSAYVKOO-NSHDSACASA-N 313.317 3.067 5 40 DGBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 5970953 SCUCZQDUKHGHOW-JTQLQIEISA-N 311.297 3.121 5 40 DGBB CC[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 6820489 XWERWAMLHQCTRC-CYBMUJFWSA-N 319.405 3.359 5 40 DGBB Cc1nnc(CN(Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C)o1 95428195 XJMUWYYMTADJME-UHFFFAOYSA-N 322.340 3.226 5 40 DGBB C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 5382395 KRTATNOTKFNEFT-FHDYTMAYSA-N 309.433 3.169 5 40 DGBB O=[N+]([O-])c1ccc(NCCSC(F)(F)F)c([N+](=O)[O-])c1 32935552 MLJCDGVOELRASK-UHFFFAOYSA-N 311.241 3.168 5 40 DGBB CCCO[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 83206582 REUIXBRRZKNBTG-ZDUSSCGKSA-N 319.361 3.127 5 40 DGBB Cc1ccc(C[C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])s1 96413911 UOKZOKSCZKBYIV-JTQLQIEISA-N 304.371 3.326 5 40 DGBB Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)N=CC(C)(C)O3 104088315 CGOCOPCTINDUOL-UHFFFAOYSA-N 308.337 3.271 5 40 DGBB Cc1ccc(NCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 175279 WINYRCCHZCJBTH-UHFFFAOYSA-N 313.313 3.189 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 5009355 OZPFHNBNDPHUOO-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB Cc1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 67451990 JEVGARRJKRWBFC-INIZCTEOSA-N 311.341 3.121 5 40 DGBB C[C@H](COCC(F)(F)F)Nc1ncc([N+](=O)[O-])cc1Cl 71914506 PKSRJTCJSPGECP-ZCFIWIBFSA-N 313.663 3.023 5 40 DGBB Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CCCO1 72288222 OCGKXEGOZUEKRV-JTQLQIEISA-N 312.753 3.454 5 40 DGBB Cc1cc([N+](=O)[O-])nn1Cc1cc(-c2ccc(Cl)cc2)no1 95941888 FCFXURNWEJNTGB-UHFFFAOYSA-N 318.720 3.456 5 40 DGBB COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] 97082814 JECQATXBVXOIPN-UHFFFAOYSA-N 311.297 3.337 5 40 DGBB O=C(Nc1ccccc1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 505886442 FNCFRDGOZWOPLN-UHFFFAOYSA-N 322.324 3.161 5 40 DGBB C[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 58423309 TWDRBPCYTJZHHQ-ZDUSSCGKSA-N 315.373 3.198 5 40 DGBB CCOc1cc(C(=O)Nc2ccsc2)c([N+](=O)[O-])cc1OC 71911362 ZNOHFPQRBYOARM-UHFFFAOYSA-N 322.342 3.316 5 40 DGBB Cc1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 78406543 MWCOSWULFMSWHW-UHFFFAOYSA-N 304.253 3.191 5 40 DGBB Cc1nccn1-c1ccccc1CNc1ncccc1[N+](=O)[O-] 58417830 ANQKBIDSFBMWOL-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB CN(C)[C@@H](CNCc1cccc([N+](=O)[O-])c1)c1ccsc1 58172338 PDHVGKRBDJCLEL-HNNXBMFYSA-N 305.403 3.049 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1CCCC1 5118601 DGOBOMPZGSBWTE-VIFPVBQESA-N 312.753 3.074 5 40 DGBB Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 253678 SFDZLHIESHZUIA-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB Cc1cccc(C)c1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1800557 NHFMIQYPAYWLBY-UHFFFAOYSA-N 316.269 3.339 5 40 DGBB CN(Cc1ccccc1Br)c1ccc([N+](=O)[O-])cn1 22800887 RTVYUIFRLDIVCI-UHFFFAOYSA-N 322.162 3.389 5 40 DGBB O=C1CS[C@@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 34539252 ACJORJYHSNVFBY-HNNXBMFYSA-N 300.339 3.373 5 40 DGBB C[C@H](O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 58177905 RRULHDKUPDTWQH-VIFPVBQESA-N 304.258 3.349 5 40 DGBB CC(C)(NC(=O)CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 79630441 FTLWNYIJSWQBQG-UHFFFAOYSA-N 304.268 3.289 5 40 DGBB O=C(NCc1cccnc1)c1cc2cc([N+](=O)[O-])ccc2s1 12534273 MTHSLMVMMSCSAD-UHFFFAOYSA-N 313.338 3.135 5 40 DGBB O=C(Nc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 32466642 MKQAHLCEBLLCIK-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB CCOC(=O)c1c(C(F)(F)F)[nH]c2ccc([N+](=O)[O-])cc12 44138345 VYGPSAPQAYVZOD-UHFFFAOYSA-N 302.208 3.272 5 40 DGBB Cc1cccc(NCCc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 62719197 JDEUPPQZFZWGNC-UHFFFAOYSA-N 323.356 3.343 5 40 DGBB CCS[C@H]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 96432319 YQNRSRJSPFFHEG-RYUDHWBXSA-N 308.403 3.341 5 40 DGBB C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 97032370 DTJPWBAYUZGVRI-WBMJQRKESA-N 318.352 3.014 5 40 DGBB CCCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-] 2330534 KNMRCSWYUDPEFM-UHFFFAOYSA-N 319.386 3.491 5 40 DGBB N=c1c2c(n(Cc3ccc([N+](=O)[O-])cc3)c3c1CCC3)CCCC2 4832481 ZNPYAFUFANSNSW-UHFFFAOYSA-N 323.396 3.292 5 40 DGBB O=C(NCc1cccc(Cl)c1)c1ccc(F)c([N+](=O)[O-])c1 7135142 LLYOATQBRRSTSW-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1 8562321 CQHYZVAFHSJCMV-OLZOCXBDSA-N 314.341 3.240 5 40 DGBB Cc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 17964331 KWJWLJSNVBSWID-LLVKDONJSA-N 300.314 3.100 5 40 DGBB Cc1nn(C)c(C(=O)Nc2ccccc2C(C)C)c1[N+](=O)[O-] 44979913 RQNININPMUNQQI-UHFFFAOYSA-N 302.334 3.012 5 40 DGBB COc1cc(NC[C@@H](O)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] 78903771 LGCPBLQXNPLIBI-CQSZACIVSA-N 324.283 3.027 5 40 DGBB O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1[C@H]1C[C@H]2CC[C@H]1C2 101142061 PJGLHLDSXDQZDA-KHJVZFFJSA-N 318.398 3.357 5 40 DGBB Cc1c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] 102186740 QWBNFGIYGCHIFV-ABHRYQDASA-N 302.374 3.458 5 40 DGBB O=[N+]([O-])c1ccc([C@@H](O)CNc2nc3ccccc3s2)cc1 25369133 GRMYZRZBCUDPIS-ZDUSSCGKSA-N 315.354 3.350 5 40 DGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2023871 XFTVYOCXLLZHTM-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB C[C@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 175539044 RHTOUMTZNDHURW-XUJVJEKNSA-N 306.362 3.120 5 40 DGBB C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 48354564 CIRGZSNIVGMJLP-VIFPVBQESA-N 315.304 3.402 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccs1 3451968 ZWNTZYVSJGIBJY-UHFFFAOYSA-N 308.384 3.065 5 40 DGBB CC(=O)c1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 33308044 FSDWUUYFQNVQMU-HJWRWDBZSA-N 310.309 3.449 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCCCC1 40095098 QPDLWWSKNDQFIL-UHFFFAOYSA-N 307.350 3.400 5 40 DGBB Cn1nccc1-c1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1 330032012 HFISJKINTDKTLA-UHFFFAOYSA-N 323.356 3.190 5 40 DGBB CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 4822800 MOJNRGZLASFEBF-UHFFFAOYSA-N 301.302 3.411 5 40 DGBB O=C(OC1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 5043313 BGEKVWADIGJWQP-UHFFFAOYSA-N 317.297 3.191 5 40 DGBB biogenic Cc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5557817 XEXRIPHVBTXTMZ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 8778966 RIFTWZJVRFGNDB-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB COc1cc([N+](=O)[O-])c(OC)cc1NC(=O)C1CCCCC1 12710772 WXEMIGZHSXFBNA-UHFFFAOYSA-N 308.334 3.131 5 40 DGBB O=[N+]([O-])c1cnccc1N1CC[C@@H](COCc2ccccc2)C1 76063762 VLMKJOLQEHYHNB-OAHLLOKOSA-N 313.357 3.033 5 40 DGBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 106541538 YMSBRJGKVQVWEU-OSFYFWSMSA-N 302.374 3.078 5 40 DGBB O=C(NC1CC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408908234 WGEPFDRRJHMNGI-SFQUDFHCSA-N 308.337 3.414 5 40 DGBB O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccs1 409393023 UREFHENLQCSXLR-UHFFFAOYSA-N 305.340 3.465 5 40 DGBB COc1ccc(C(=O)N(C)Cc2sccc2C)cc1[N+](=O)[O-] 8185883 GLFGMBIXFVFWJL-UHFFFAOYSA-N 320.370 3.246 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)c(Cl)c1 12552500 MAQLMKVYSJAQOA-UHFFFAOYSA-N 309.797 3.313 5 40 DGBB O=[N+]([O-])c1ncn(CC/C=C/c2ccc(Br)cc2)n1 96409151 GYOPPOYMQSUNGP-HNQUOIGGSA-N 323.150 3.052 5 40 DGBB CC(C)(C)c1ccc([N+](=O)[O-])c(I)c1 201702105 OZXXNJXAGKBWPI-UHFFFAOYSA-N 305.115 3.497 5 40 DGBB Cc1ccc(N2C(=O)[C@H]3C=CC=C4C([N+](=O)[O-])=CC=C2[C@H]43)cc1 1554503035 BMPJGZYVGKVPKV-WMLDXEAASA-N 306.321 3.128 5 40 DGBB CCOC(=O)CCCCCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2580513 KBPZCNKTTQSXIB-UHFFFAOYSA-N 323.345 3.300 5 40 DGBB CCOc1cc(NC(=O)c2ccco2)c([N+](=O)[O-])cc1OCC 5905998 LVLBVKKKISKQQJ-UHFFFAOYSA-N 320.301 3.238 5 40 DGBB CSc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] 9118291 IWMHHELCWBOVLR-JTQLQIEISA-N 317.370 3.203 5 40 DGBB O=C(NCCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 10542321 OCGXOJYNGPNZMK-UHFFFAOYSA-N 302.305 3.097 5 40 DGBB O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccccc2)no1 31647333 FPJPBLKRJRLLFZ-UHFFFAOYSA-N 311.297 3.148 5 40 DGBB CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 38755179 YEEUUARVEFXDMW-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB CCc1ccc(NC(=O)N2CCC[C@H](COC)C2)cc1[N+](=O)[O-] 89286505 CJCBWULTUNPLDE-LBPRGKRZSA-N 321.377 3.048 5 40 DGBB COC(=O)/C=C/c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 226257447 GAKUKEXPGTZQTP-VMPITWQZSA-N 303.270 3.050 5 40 DGBB CN(C)c1cccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)c1 1463315 SCUGOHMOULXWKA-MRXNPFEDSA-N 317.414 3.445 5 40 DGBB COc1ccccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 9339276 RDSPANDKXNCAHF-NSHDSACASA-N 315.329 3.043 5 40 DGBB CCOc1ccc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cc1 25252256 MVQMLUWVHLKHOL-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccccc1 33158608 MQGFIJOBVUEECJ-CYBMUJFWSA-N 314.341 3.447 5 40 DGBB CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCC1 58370520 ASCKZMAHUDNDLK-UHFFFAOYSA-N 317.389 3.210 5 40 DGBB O=[N+]([O-])c1c(N[C@@H]2CCOc3ccccc32)nc2ccccn12 70790634 BEDJIFMXVBSWBQ-GFCCVEGCSA-N 310.313 3.178 5 40 DGBB CCc1nc(C)c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])s1 252485777 HDRKOPWDZAYTLD-UHFFFAOYSA-N 321.358 3.183 5 40 DGBB Cc1ccc(O)c(C(=O)c2cnn(-c3ccccc3[N+](=O)[O-])c2)c1 2660968 YAZZCSGHVIIKJT-UHFFFAOYSA-N 323.308 3.026 5 40 DGBB CCOC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1 4275699 VWOGQKJYRFHDDF-UHFFFAOYSA-N 320.326 3.085 5 40 DGBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 12928761 PEPSDXOZZCMCIA-SNVBAGLBSA-N 320.295 3.293 5 40 DGBB CC(C)c1ncc([N+](=O)[O-])n1C(=S)Nc1ccccc1F 16576035 QCUBBZGRDOKLPN-UHFFFAOYSA-N 308.338 3.299 5 40 DGBB Cc1nc(Cn2cc([N+](=O)[O-])cn2)oc1-c1ccc(Cl)cc1 84853171 STUODGHDLPDXPY-UHFFFAOYSA-N 318.720 3.456 5 40 DGBB C[C@@H]1CCCCCN1CCCOC(=O)c1ccc([N+](=O)[O-])cc1 4791872 UELWWMDNEKMJIH-CQSZACIVSA-N 320.389 3.406 5 40 DGBB CCc1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 8587133 HTCMQXPFRXZNRL-UHFFFAOYSA-N 316.361 3.444 5 40 DGBB COc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102999169 ONPHOBAWYXLNFV-BYNQJWBRSA-N 318.373 3.158 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCO2 40069460 JQWQUIGNOBWZDT-QPJJXVBHSA-N 310.309 3.182 5 40 DGBB CCS(=O)(=O)/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1 5953847 QDEKAZHWWODLBP-NXVVXOECSA-N 317.366 3.224 5 40 DGBB C[C@@H]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 178715 ILOOTNORNYOVEY-CRAIPNDOSA-N 317.433 3.291 5 40 DGBB CO[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 63888462 VLTOELHTWXPKSR-RTIZMKJZSA-N 323.320 3.248 5 40 DGBB CCOCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 69657929 GPIKETLKMXMDQU-UHFFFAOYSA-N 312.753 3.028 5 40 DGBB Cc1nc2c(s1)[C@@H](N(C)c1ncccc1[N+](=O)[O-])CCC2 69740560 KQHPXHLPNXCUDT-NSHDSACASA-N 304.375 3.269 5 40 DGBB O=C(NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 72331666 DGMCLUBCBNEOCM-UHFFFAOYSA-N 314.219 3.137 5 40 DGBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)c(C)c1 111914432 MPBBVDFEKWOUMB-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB Cc1nc(C)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)s1 191392286 QAMPEERXHWNCPS-UHFFFAOYSA-N 321.358 3.037 5 40 DGBB O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 5517282 KVULZZSSIWWTIV-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB CC(=O)Nc1cc(F)c(F)cc1NCc1cccc([N+](=O)[O-])c1 72301927 NMYOULRYBHWXGB-UHFFFAOYSA-N 321.283 3.444 5 40 DGBB Cc1nnc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)o1 96418416 KBVJLFSDIHVQBK-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)NC1CCCCC1 4893546 WUMQYGOAUJSSIV-GFCCVEGCSA-N 305.378 3.153 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] 15472079 RXHSLMVSRLMHOD-LBPRGKRZSA-N 314.341 3.023 5 40 DGBB COc1cc(N(C)CCOc2ccccc2C)ccc1[N+](=O)[O-] 76061477 POAXCTKKYGFAON-UHFFFAOYSA-N 316.357 3.427 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc12 73641869 KOXGOTXSGHPJOJ-UHFFFAOYSA-N 316.244 3.329 5 40 DGBB CCCc1n[nH]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 83091770 GGLFENQDYYKXKZ-UHFFFAOYSA-N 319.346 3.099 5 40 DGBB O=C(NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 16009507 XKIHQOCTZNVLOD-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB CC(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 4114009 AJZOEAHRZVWSLT-UHFFFAOYSA-N 301.258 3.128 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OC(=O)CCc2c(C)noc2C)c1 24597347 FPKPFMQYSSCGSM-UHFFFAOYSA-N 304.302 3.046 5 40 DGBB CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 74649105 XTAZVGKDDPQYQU-UHFFFAOYSA-N 318.398 3.293 5 40 DGBB CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 89531747 VJQDYLNTBLNIQI-UHFFFAOYSA-N 318.304 3.356 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 224996785 BJCDYPBJEUIRAJ-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3[C@H]4C=C[C@H]3[C@H]2C4)c([N+](=O)[O-])c1 102949653 PXIDSKRGSXBQGV-HBKJAXODSA-N 302.286 3.092 5 40 DGBB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 13858139 SVQKESKXKPLAHC-UHFFFAOYSA-N 323.308 3.206 5 40 DGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 335047 TXSBXNAOWJYEAT-UHFFFAOYSA-N 302.717 3.451 5 40 DGBB CC(C)(C)n1ncc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1=O 367028 QGQYXBKGWONHGT-UHFFFAOYSA-N 323.736 3.352 5 40 DGBB O=c1c2ccccc2oc2nc(=O)n(-c3ccc(Cl)cc3)cc12 1395779 VDSPCUKLSSRFQJ-UHFFFAOYSA-N 324.723 3.146 5 40 DGBB C[C@@H]1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 75582036 MYMYWNCXQIYJSI-LLVKDONJSA-N 300.314 3.337 5 40 DGBB Cc1c(C(=O)Nc2cccc([C@H](C)O)c2)cccc1[N+](=O)[O-] 226274726 CEMXQFHFNLOFPC-NSHDSACASA-N 300.314 3.209 5 40 DGBB Cc1c(Cl)cccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 368758 JTIOHXABRYSCMT-UHFFFAOYSA-N 316.700 3.357 5 40 DGBB CC(C)(C)C(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 4740805 MHUWBDPBPBESPA-UHFFFAOYSA-N 321.358 3.352 5 40 DGBB Cc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 5260194 JMLNLSOYAVHNQQ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB COc1ccccc1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] 8149689 BBWAZAQZPRKPFW-UHFFFAOYSA-N 300.314 3.418 5 40 DGBB COc1ccc(F)cc1COC(=O)c1ccccc1[N+](=O)[O-] 24277981 SJWSHBTUMTUWQQ-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cccs1 30623125 KOEYAFGTDNDZJF-UHFFFAOYSA-N 306.343 3.079 5 40 DGBB Cc1cccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 31553605 UJNHZPGDVBPIAH-UHFFFAOYSA-N 300.314 3.311 5 40 DGBB O=[N+]([O-])c1c(N[C@H]2CCOc3ccccc32)nc2ccccn12 70790637 BEDJIFMXVBSWBQ-LBPRGKRZSA-N 310.313 3.178 5 40 DGBB O=[N+]([O-])c1cccc(CNc2cccc(Br)n2)c1 97162780 AHTCWMAQEDSJBT-UHFFFAOYSA-N 308.135 3.364 5 40 DGBB COc1ccc([C@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 226293187 DJEOYOGICAVBPE-MRXNPFEDSA-N 303.314 3.002 5 40 DGBB Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 4872541 RMMHVQJPGALCHU-UHFFFAOYSA-N 324.402 3.072 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 72228666 SOBWESBQPORFFE-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2ncc[nH]2)c1 95460521 YMGHXKSOSNFBFC-UHFFFAOYSA-N 309.329 3.300 5 40 DGBB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc([N+](=O)[O-])cc1 430203 JYSXZZLFHOHRBG-NTEUORMPSA-N 312.256 3.078 5 40 DGBB Cc1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1[N+](=O)[O-] 4013429 POIUSXIOCUNTQD-UHFFFAOYSA-N 315.245 3.091 5 40 DGBB Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 4602166 CQFXUHWLKWKSDO-UHFFFAOYSA-N 319.248 3.203 5 40 DGBB Cc1ccc(O)cc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 5740488 VQCCKTKXBAOAPK-UHFFFAOYSA-N 312.281 3.459 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1F 9114048 RUPRZRJCWJKWFS-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB CC(=O)Nc1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1 15020254 GCQOIFOJPTWEEO-UHFFFAOYSA-N 303.343 3.287 5 40 DGBB in-vitro C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccnc1 81941038 DHZXJZHWBFXUKF-MRVPVSSYSA-N 323.150 3.320 5 40 DGBB Cc1ccccc1CC1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 85479712 QFBBRKYSSSKJTM-UHFFFAOYSA-N 310.353 3.218 5 40 DGBB COc1ccc(CN(C)Cc2ccncc2Cl)cc1[N+](=O)[O-] 96445702 QUXBLIPEHASFNS-UHFFFAOYSA-N 321.764 3.284 5 40 DGBB COc1cc(OC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 168673 HYYFLKMQEGWBNM-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB c1ccc2cc3c(NCCN4CCOCC4)ccnc3cc2c1 196200 PLCWPZZXOZWYJR-UHFFFAOYSA-N 307.397 3.132 5 40 DGBB aggregator C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCCCC1 5107666 RUQUCDGWQVVAEQ-ZDUSSCGKSA-N 318.373 3.369 5 40 DGBB O=[N+]([O-])c1ccc(NCCOCc2ccccc2Cl)nc1 18247521 HWNIRCYJLHCIAD-UHFFFAOYSA-N 307.737 3.272 5 40 DGBB CCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)OC)o1 226257812 HFNGRTFJQKMWJG-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB COc1ccccc1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12 247633272 CFJFXNJXCPLJIB-RIFZZMRRSA-N 318.437 3.261 5 40 DGBB biogenic,in-vitro C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 4619163 ULGQGSNRALKMDS-NSHDSACASA-N 320.370 3.171 5 40 DGBB O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nc3ncnn23)c1 13637407 DBELMGZDCDMDQK-UHFFFAOYSA-N 317.308 3.367 5 40 DGBB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2 106541540 YMSBRJGKVQVWEU-ABHRYQDASA-N 302.374 3.078 5 40 DGBB CCOC(=O)/C=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 226257664 CVKAJWACSJNXFU-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB Cc1cccc(C(=O)OCCOc2ccc(F)cc2)c1[N+](=O)[O-] 6547593 SHUVBVNPIJNFJT-UHFFFAOYSA-N 319.288 3.278 5 40 DGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(F)c1 35310603 LUHVLTKMDCCCOP-QMMMGPOBSA-N 322.267 3.070 5 40 DGBB COc1ccc([C@@H](C[N+](=O)[O-])OC)cc1OCc1ccccc1 65734748 VHENNGKCCKIURS-QGZVFWFLSA-N 317.341 3.238 5 40 DGBB in-vitro O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 4181870 UZZNUJDTQSNOCN-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCC(O)CC1 15208710 WUBZUCTZBNUBDO-UHFFFAOYSA-N 304.268 3.329 5 40 DGBB CC(C)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 20898118 IJLHNPSSIOKPKQ-UHFFFAOYSA-N 302.334 3.368 5 40 DGBB CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CC(C)C)N(C)C 60358333 GZRFSCQMAZJPQJ-MRXNPFEDSA-N 323.437 3.059 5 40 DGBB COc1ccc([C@@H](O)CNc2c(C)cccc2[N+](=O)[O-])cc1 95963727 OYXDELSQLDSXII-HNNXBMFYSA-N 302.330 3.057 5 40 DGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108924900 CRMIAKJHRMCHHN-PCBIJLKTSA-N 302.374 3.078 5 40 DGBB C/C=C1/C[N@@+]2(C)[C@@H]3C[C@@H]1[C@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 1077996672 KRTATNOTKFNEFT-KUDJHTQTSA-N 309.433 3.169 5 40 DGBB biogenic C[C@@H]1CCCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)C1 4995344 JAERIEOOKGXMLO-SNVBAGLBSA-N 316.317 3.288 5 40 DGBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccccc1[N+](=O)[O-] 216959650 QEJCCAJMPGRDHP-UHFFFAOYSA-N 324.292 3.245 5 40 DGBB Cc1ccc(OC[C@@H](O)C[N+]2(C)CCCC2)c(C(C)(C)C)c1 226071773 HCBGOQPLDIZQKJ-INIZCTEOSA-N 306.470 3.273 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccccc1 5208315 IQCAKGDKTGQYFV-UHFFFAOYSA-N 315.329 3.267 5 40 DGBB C[S@](=O)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 124328666 ALXHRWVJNCSPHK-GOSISDBHSA-N 311.190 3.082 5 40 DGBB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 55675096 FSMYULXNPQXLCP-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc2sccc12 29740298 YGFJDZQQYYCPCH-UHFFFAOYSA-N 319.367 3.185 5 40 DGBB Cc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C 41156525 LBGVXUGRUUUUTG-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 13809766 XJJZSDLAPMFASY-VJSUNBITSA-N 320.304 3.496 5 40 DGBB Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(Cl)c2c1C 37328385 XUNOWCWFXGLZFX-UHFFFAOYSA-N 323.765 3.115 5 40 DGBB COc1cc([N+](=O)[O-])c(C(=O)NC2CCCCC2)cc1SC 69538905 DESXNDVSPRSVLN-UHFFFAOYSA-N 324.402 3.388 5 40 DGBB O=[N+]([O-])c1ccc(-n2cc([N+](=O)[O-])c(-c3ccccc3)n2)cc1 3852446 BTKUFVLXLOZZGN-UHFFFAOYSA-N 310.269 3.356 5 40 DGBB biogenic O=C(NCCSCc1cccs1)c1cccc([N+](=O)[O-])c1 6540843 NXEROTRPFICAFH-UHFFFAOYSA-N 322.411 3.320 5 40 DGBB CC(C)(C)[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 72286531 NMNKMXPHXCKQDB-ZDUSSCGKSA-N 315.377 3.036 5 40 DGBB C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1O)c1cccnc1 97114570 YMOVGNQJAFNOKY-QMMMGPOBSA-N 321.720 3.091 5 40 DGBB CSC[C@@H](C)C(=O)Nc1nccc2c([N+](=O)[O-])cccc12 585140511 GLNSYDCRCYRJCG-SECBINFHSA-N 305.359 3.081 5 40 DGBB Cc1ccnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 9364682 TYTDRRLPEXSMII-UHFFFAOYSA-N 312.329 3.125 5 40 DGBB CC[C@@H](c1nc(-c2cccs2)no1)n1nc([N+](=O)[O-])cc1C 17054890 ZJXUNVHDOIYAOB-VIFPVBQESA-N 319.346 3.211 5 40 DGBB CC1CC[N+](C)(C[C@@H](O)COc2ccc3ccccc3c2)CC1 226073032 SWJTXUXCXLBTJQ-IPFXWSOASA-N 314.449 3.456 5 40 DGBB CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 5585938 XFDUPOYVYHAIJS-UHFFFAOYSA-N 302.286 3.435 5 40 DGBB O=C(CSc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 4564176 BMAYNABZNAOYFH-UHFFFAOYSA-N 306.318 3.465 5 40 DGBB Cc1ccc(Nc2c(C(=O)O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5588709 QHHQGAVEOAJNIE-UHFFFAOYSA-N 317.257 3.253 5 40 DGBB Cc1ccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5814574 SKAVXBTYKIEDSF-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB Cc1c(CO)cc([N+](=O)[O-])c(NC2CCCCCC2)c1[N+](=O)[O-] 71873520 SLJBMCIVLWELLW-UHFFFAOYSA-N 323.349 3.438 5 40 DGBB O=C(O)c1ccc(N=c2cc[nH]c3ccc([N+](=O)[O-])cc23)cc1 1740818994 VHPBLNAWGWXBTD-UHFFFAOYSA-N 309.281 3.007 5 40 DGBB Cc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C 4699717 DXWBINPXPDFPHD-UHFFFAOYSA-N 318.304 3.368 5 40 DGBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(C)=O)cc1 5142085 ILDNNMMJWLDVQJ-UHFFFAOYSA-N 301.298 3.238 5 40 DGBB Cc1ccccc1C1=N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O1 13140793 YXBISYPHPDJIOQ-UVTDQMKNSA-N 308.293 3.248 5 40 DGBB CCc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] 95416926 JYPOETJDTUSNOS-LLVKDONJSA-N 321.377 3.094 5 40 DGBB COc1ccc([N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1F 1857794499 OPNHQQIZHMUPMR-UHFFFAOYSA-N 308.221 3.443 5 40 DGBB CC(=O)Nc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 367999 RDGSOSAINBFSDC-UHFFFAOYSA-N 313.313 3.114 5 40 DGBB Cc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cn2)o1 25056885 HONURUHJEYTZLI-UHFFFAOYSA-N 314.326 3.499 5 40 DGBB Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-] 102957194 BIZXMRGKBNBOEZ-BHPKHCPMSA-N 302.374 3.458 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F 54216505 MIFBJPAYGIRIRF-SECBINFHSA-N 322.267 3.279 5 40 DGBB Cc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)oc12 226035154 UVTQJGDBTKOYRJ-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB Cc1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 65343 FRINUUJETFQNSV-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 1463498 NUWMYORLVFUAAR-YUMQZZPRSA-N 306.240 3.039 5 40 DGBB O=C(OCC=C1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1599903 AWMZLDCMCUDILM-UHFFFAOYSA-N 306.274 3.160 5 40 DGBB COc1ccc(C(=O)Oc2c(C)cccc2C)cc1[N+](=O)[O-] 3332666 DCBMAFOGPBSUOB-UHFFFAOYSA-N 301.298 3.439 5 40 DGBB C/C(=C1/N=C(c2ccccc2)OC1=O)c1cccc([N+](=O)[O-])c1 60533 LRDFGGPMUHWOLP-PTNGSMBKSA-N 308.293 3.329 5 40 DGBB CC(C)(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 268435 GINHVMYHFYARMG-UHFFFAOYSA-N 320.374 3.287 5 40 DGBB CC[C@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 6820491 XWERWAMLHQCTRC-ZDUSSCGKSA-N 319.405 3.359 5 40 DGBB Cc1ccc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 48374852 MASXYEJEKKHLDD-UHFFFAOYSA-N 313.357 3.287 5 40 DGBB CCCc1n[nH]c(Sc2ccc([N+](=O)[O-])c3cnccc23)n1 55370321 OOVDDIDNSKFPOW-UHFFFAOYSA-N 315.358 3.365 5 40 DGBB O=[N+]([O-])c1ccc(Oc2nnc(Br)s2)cc1 72190666 YRRWEDGNTPKQRI-UHFFFAOYSA-N 302.109 3.001 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc12 73641855 NKLYIKBLPHRGLA-UHFFFAOYSA-N 302.217 3.240 5 40 DGBB O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])cc1 97236401 WGLKVCQDDHYDBD-UHFFFAOYSA-N 311.219 3.261 5 40 DGBB COc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1OC 408712799 SARXNLJJMGBNMQ-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB CCCc1cc(=O)[nH]c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 7062386 HGGSRPNXHWCXKM-SNVBAGLBSA-N 319.386 3.484 5 40 DGBB Cc1ncc([N+](=O)[O-])n1Cc1cc(F)ccc1Br 69600709 IPPADRKZOUEMQQ-UHFFFAOYSA-N 314.114 3.050 5 40 DGBB CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 69809663 HVTAHNBPBZGRII-GFCCVEGCSA-N 319.386 3.170 5 40 DGBB O=[N+]([O-])c1cccnc1N(Cc1cccnc1)Cc1ccco1 89634617 CQGPRPRWEPDNEZ-UHFFFAOYSA-N 310.313 3.185 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 245232247 RTMOHIUWLIAADG-HQRMLTQVSA-N 318.437 3.261 5 40 DGBB O[C@@H]1c2cc3ccc4cccc5ccc(c2[C@@H]2O[C@@H]2[C@@H]1O)c3c45 2001187 DQEPMTIXHXSFOR-YSTOQKLRSA-N 302.329 3.432 5 40 DGBB biogenic,in-vitro Cc1nnc(-c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)o1 4092257 CNFIWKHYEQOXPV-UHFFFAOYSA-N 302.334 3.334 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F 5257067 POSVPQZTHXSDNW-UHFFFAOYSA-N 302.130 3.114 5 40 DGBB CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCCCC2)cc1OC 8007400 HQPFILXYWSBBGK-UHFFFAOYSA-N 322.361 3.065 5 40 DGBB CC(=O)C(C(C)=O)[C@@H](c1ccco1)[C@H](c1ccccc1)[N+](=O)[O-] 108938928 RNQFOKZSCUCRSO-SJORKVTESA-N 315.325 3.175 5 40 DGBB COc1ccccc1/C=C/C(=O)OCc1ccc([N+](=O)[O-])cc1 2657147 FTUMJSKHBPWBGK-DHZHZOJOSA-N 313.309 3.360 5 40 DGBB O=C(O)c1cn(-c2ccc([N+](=O)[O-])cc2Cl)nc1C(F)F 575441645 SCZJEVMAPOHYNT-UHFFFAOYSA-N 317.635 3.070 5 40 DGBB CC(=O)c1ccc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 8054805 KNKSIVGGEHRWJE-UHFFFAOYSA-N 314.297 3.138 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(F)c1F 8529117 QFNANWGKHWSNFT-UHFFFAOYSA-N 322.267 3.272 5 40 DGBB COc1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)nn1 95981549 MTCBGBIETLVCPB-UHFFFAOYSA-N 315.207 3.205 5 40 DGBB COc1cccc(C(=O)N[C@@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] 194165297 RZYMZNFFWVHUMD-JTQLQIEISA-N 318.329 3.304 5 40 DGBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc2ccccc2[nH]1 7342800 GURLDOQBSOEANX-UHFFFAOYSA-N 307.265 3.245 5 40 DGBB C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc([N+](=O)[O-])cc1 7521954 HLRDVYDILJGWFR-GHMZBOCLSA-N 308.407 3.059 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 9995942 JDTZYQHFGREJLN-UHFFFAOYSA-N 314.366 3.276 5 40 DGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2ccn[nH]2)c1 24894460 RMGIKVGMGPKXCX-UHFFFAOYSA-N 322.324 3.166 5 40 DGBB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 47296122 BLNIJSHJJUGWEG-RHSMWYFYSA-N 323.352 3.418 5 40 DGBB CNc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] 10781612 RUQLBQNJFAGBOI-UHFFFAOYSA-N 322.324 3.437 5 40 DGBB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 91351771 OYKVDHNZFSJFAJ-LLVKDONJSA-N 307.350 3.016 5 40 DGBB in-vitro Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCOCC1CC1 93906615 YJIULWZHQXIMRH-UHFFFAOYSA-N 320.389 3.067 5 40 DGBB Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 5724501 KBOWMQDTDBADRX-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCC(C)C)C1CC1 58148108 NWFSMWFKLNWOSQ-UHFFFAOYSA-N 319.405 3.352 5 40 DGBB COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)c1 71977562 YRSYWIKUHGZZIP-UHFFFAOYSA-N 322.324 3.310 5 40 DGBB COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 226256978 NUTUFGONIKEWTR-VMPITWQZSA-N 303.270 3.050 5 40 DGBB O=C(Sc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 408530589 MHYMIPLJUPLROS-UHFFFAOYSA-N 317.282 3.170 5 40 DGBB O=C(CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 1516448 CYLIFSHGFSUXES-UHFFFAOYSA-N 313.338 3.446 5 40 DGBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F 6061648 XKMGDARUOGECSN-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)c2nonc12 6874110 NZYTWACVFBMHGD-UHFFFAOYSA-N 304.693 3.397 5 40 DGBB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 20140882 VEAIXSYLHRUYRN-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB CCc1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 20897967 FTBMXKSZJAOVIG-UHFFFAOYSA-N 314.301 3.412 5 40 DGBB O=C(c1cc(F)ccc1F)N1CCc2c1cccc2[N+](=O)[O-] 78149252 ITPSAWGYQWEBHE-UHFFFAOYSA-N 304.252 3.076 5 40 DGBB CN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 89382541 AYNPJOQQSDNNEZ-SFHVURJKSA-N 311.385 3.084 5 40 DGBB Cc1cc(C)n(CCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 89594187 KHFMZHNHMRFRPX-AWEZNQCLSA-N 302.378 3.149 5 40 DGBB O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Cl)nc1 223932246 AJTRFDIUCLNSSE-UHFFFAOYSA-N 322.777 3.130 5 40 DGBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F 3414125 SZDSYSVHFSUIFJ-UHFFFAOYSA-N 318.280 3.034 5 40 DGBB O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 5512269 JMLNGXRAWCRWAU-UHFFFAOYSA-N 308.240 3.449 5 40 DGBB CCc1ccc(NC(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] 27315851 WGEQYMJSZXMNJC-UHFFFAOYSA-N 302.305 3.478 5 40 DGBB NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 73641917 VILFDMPIKWWPSD-UHFFFAOYSA-N 317.688 3.155 5 40 DGBB CC[C@H](NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1 90467613 HGQMPAGTJLPGLG-LBPRGKRZSA-N 305.359 3.241 5 40 DGBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 292361 PSBGZWFDRJNMOX-UHFFFAOYSA-N 300.314 3.481 5 40 DGBB COC(=O)c1cn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 533468 HAYOMKFQHJKGQG-UHFFFAOYSA-N 324.292 3.025 5 40 DGBB Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 4059581 LDYDYSBEPPKYQJ-UHFFFAOYSA-N 300.105 3.017 5 40 DGBB Cn1c(=O)cc2c3ccccc3c3cc(=O)[nH]c4ccc1c2c43 5236167 DYKRFWHBMOWNOD-UHFFFAOYSA-N 300.317 3.124 5 40 DGBB Cc1cnc(COc2cc([N+](=O)[O-])ccc2Br)o1 225532891 LMZPBRUEGZFEAU-UHFFFAOYSA-N 313.107 3.233 5 40 DGBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)cc(F)c1 24840773 WNPMLQVWYOVBJR-UHFFFAOYSA-N 314.194 3.404 5 40 DGBB O=C(NOCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 10318848 VFBPKAGLCLHGOI-UHFFFAOYSA-N 306.705 3.110 5 40 DGBB Cc1cc(NCc2cccc(-n3ccnc3)c2)ncc1[N+](=O)[O-] 74763818 HEQBQMGSPATAET-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB COC(=O)c1ccc(S2=Nc3ccccc3O2)c([N+](=O)[O-])c1 96305933 VQQDMGUUSZJMSX-UHFFFAOYSA-N 318.310 3.181 5 40 DGBB CSc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10252355 PKYJREITKGBSFI-UHFFFAOYSA-N 302.355 3.498 5 40 DGBB C[C@H](c1cccs1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 32841963 VLSJIEKFZIPHFU-SECBINFHSA-N 305.359 3.072 5 40 DGBB O=c1oc2ccccc2nc1/C=C(\O)c1ccc([N+](=O)[O-])cc1 102536766 MTCMNOVWMJSGKP-ZROIWOOFSA-N 310.265 3.152 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4130683 DDVMUXLGTHKHKN-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=C(NCc1ccco1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6882811 JUHQSGDCOLESGO-UHFFFAOYSA-N 312.281 3.378 5 40 DGBB O=[N+]([O-])c1cccc(-c2cn3c([n+]2-c2ccccc2)SCC3)c1 15953105 GWDSLWOFPOJISI-UHFFFAOYSA-N 324.385 3.446 5 40 DGBB O=[N+]([O-])c1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)cc1 27299036 HRIXWADUHNZZJR-UHFFFAOYSA-N 324.385 3.446 5 40 DGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 27356672 TZMBEDHBCBNOET-UHFFFAOYSA-N 303.293 3.398 5 40 DGBB O=C(Nc1ccncc1[N+](=O)[O-])N1CCC2(CCCCC2)C1 97080926 HTCGRHJOKPXSNF-UHFFFAOYSA-N 304.350 3.178 5 40 DGBB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=O 100932106 PUTUBXBUKPQVCP-IAGOWNOFSA-N 316.357 3.319 5 40 DGBB Cc1ncccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 179616957 OHCVZHYKHDIOFA-UHFFFAOYSA-N 311.341 3.103 5 40 DGBB CCCCN1C(=O)C(C)=C(C)[C@@H]1Nc1ccc([N+](=O)[O-])cc1 9434919 WKLXGOHCOOVDOE-OAHLLOKOSA-N 303.362 3.312 5 40 DGBB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] 10214495 YSOTYDKQOYKFJK-UHFFFAOYSA-N 323.352 3.357 5 40 DGBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccnc1 24238103 CQSMGHGJGSXIAQ-AWEZNQCLSA-N 312.329 3.359 5 40 DGBB CC(=O)c1ccc(N2CCNc3ccccc3C2)c([N+](=O)[O-])c1 45802114 PLUFABUFHRJPIP-UHFFFAOYSA-N 311.341 3.230 5 40 DGBB C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccs1 50037535 PSRHRIHZEQTNKR-SSDOTTSWSA-N 312.297 3.426 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C1CCCC1 56033666 ASJLPJIFRINTDC-OAHLLOKOSA-N 302.374 3.319 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccncc1 69846010 VJKGSQMIWXSKEX-CYBMUJFWSA-N 313.357 3.142 5 40 DGBB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 75492719 NSGGWPUALJFLCL-ZIAGYGMSSA-N 319.361 3.064 5 40 DGBB O=C(c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)C(F)(F)F 258834304 OUPPRJCVSFGDDT-UHFFFAOYSA-N 303.114 3.238 5 40 DGBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 6585964 FXJXNSIDEXKEBF-JTQLQIEISA-N 315.285 3.245 5 40 DGBB CC(C)CCC[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 6906681 RNFPODJMFZDGSO-GOEBONIOSA-N 324.421 3.139 5 40 DGBB COc1ccc([C@@H](C)Nc2cc(N)ccc2[N+](=O)[O-])cc1F 193463760 DZPJHLTULQIMOO-SECBINFHSA-N 305.309 3.498 5 40 DGBB CC1CCN(Cc2cc([N+](=O)[O-])c(O)c3ncccc23)CC1 60893 SAJJSRIZJCOPNO-UHFFFAOYSA-N 301.346 3.081 5 40 DGBB biogenic CCCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 5215146 QEFXDPKGTBETGC-FMIVXFBMSA-N 306.343 3.431 5 40 DGBB CCOc1cccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 20107803 HFOZYVPKXFPTDL-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB CSc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 23409311 GYRWRGMVFYOOCH-INIZCTEOSA-N 318.398 3.140 5 40 DGBB CC(=O)Nc1cc(NCc2ccccc2[N+](=O)[O-])c(F)cc1F 83137248 QCJVFBKDRSHCOR-UHFFFAOYSA-N 321.283 3.444 5 40 DGBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2 106541542 YMSBRJGKVQVWEU-UKTARXLSSA-N 302.374 3.078 5 40 DGBB O=C(O)/C=C/c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 65114 IIGIQBWHQQNSHJ-BQYQJAHWSA-N 309.281 3.007 5 40 DGBB COc1cccc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 7912025 VYOCGKLIVOUKBZ-MDZDMXLPSA-N 319.338 3.048 5 40 DGBB Cc1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 31553606 KCMDHOITQNSWAT-UHFFFAOYSA-N 300.314 3.311 5 40 DGBB Cn1cncc1CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 97373482 XPWTYOHHTFXVHL-UHFFFAOYSA-N 323.356 3.045 5 40 DGBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccn3)o2)c1 1378669 KXPLBKNBBAAAEY-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB CC(C)(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 1710492 CNYOARSSHKJIGY-UHFFFAOYSA-N 320.389 3.141 5 40 DGBB COc1ccc(OC)c(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1 5158540 BRHIFUVFSAURMI-UHFFFAOYSA-N 318.285 3.054 5 40 DGBB COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 5616729 ZFJKDALWHZSXFV-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1 160307016 ZELLCQZLVWUKGK-UHFFFAOYSA-N 323.761 3.374 5 40 DGBB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 2072371 QJZSHERJMUXCMW-UHFFFAOYSA-N 306.303 3.061 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C 5598831 DPDJHOURRTVZOY-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB Cc1csc([C@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 185988727 MOWNFSBURBJOOF-MRVPVSSYSA-N 323.349 3.032 5 40 DGBB CC(=O)Nc1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] 95982610 AMCUCGTZACPXDX-UHFFFAOYSA-N 313.357 3.185 5 40 DGBB CC(=O)Nc1cc2c(cc1F)-c1cc([N+](=O)[O-])c(F)cc1C2 1673241 NHLOEEMWUIOGEY-UHFFFAOYSA-N 304.252 3.403 5 40 DGBB Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1C[C@H](C)O[C@H](C)C1)C(C)(C)O2 12954268 KXNOTNFTDYFDHS-BFQNTYOBSA-N 320.389 3.225 5 40 DGBB Cc1sc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] 67107278 QFNOBAVTHXAAJF-NWDGAFQWSA-N 320.345 3.390 5 40 DGBB Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1 160117991 GTMJCEKQBQLELQ-UHFFFAOYSA-N 303.343 3.029 5 40 DGBB CCCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O 2238098 LXFSCCZJCHIFMY-UHFFFAOYSA-N 312.369 3.426 5 40 DGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CC(C)C)nc12 10010584 PLRYJONYYGOYCI-UHFFFAOYSA-N 309.347 3.198 5 40 DGBB CC1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 65538644 OWRKAIKSOZQUAT-UHFFFAOYSA-N 320.389 3.472 5 40 DGBB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc([N+](=O)[O-])cc1 4588844 JYSXZZLFHOHRBG-ZROIWOOFSA-N 312.256 3.078 5 40 DGBB CCOc1ccc(C(=O)O[C@H]2C[C@@H]3CCC[C@H](C2)[N+]3(C)C)cc1 100745083 BHVJFWCIKURJEW-ALXJQNPVSA-N 318.437 3.402 5 40 DGBB COc1ccc(CCNC(=S)c2ccc([N+](=O)[O-])cc2)cc1 9188135 DDGHNYMUFMGTAM-UHFFFAOYSA-N 316.382 3.111 5 40 DGBB C[C@@]12CO[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc4)C[C@H]1CC[C@@]32C 101691856 KSTMBVIMPFZXMJ-GAEVZRCVSA-N 316.357 3.129 5 40 DGBB C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12 4127824 HYWTWHWYNWLRLS-OIISXLGYSA-N 319.357 3.395 5 40 DGBB COc1ccc(C)cc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 25501659 AXYJGUQXSCVAAG-UHFFFAOYSA-N 302.286 3.354 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nccs1 97103732 UTQWELZNBCVGGT-VIFPVBQESA-N 306.347 3.242 5 40 DGBB O=C(COc1cccc2cccnc12)Nc1cccc([N+](=O)[O-])c1 5583082 YBESBHMZKZKKNB-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB Cc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccccc2)c1C 6270152 VZVOADAGSRMALA-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/C=C/c1ccccc1 190738 IQYUOTXEESUKOD-LHQXNBGVSA-N 320.304 3.496 5 40 DGBB Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)o1 4174150 ZBWKOEBSJBASLC-UHFFFAOYSA-N 319.298 3.465 5 40 DGBB Cc1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 194215720 SRORBJHMYWEGJT-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB C/C=C1/C[N@@+]2(C)[C@@H]3C[C@@H]1[C@@H](CO)[C@H]2Cc1c3[nH]c2ccccc12 1077996678 KRTATNOTKFNEFT-ZLMOAHADSA-N 309.433 3.169 5 40 DGBB biogenic C[N@+]12CCCC[C@H]1[C@@H](COCC(=O)Oc1ccccc1)CCC2 247692078 WWQWQFSJWQNUDV-IMFGXOCKSA-N 318.437 3.018 5 40 DGBB biogenic,in-vitro O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cccc(F)c1 5002733 LUVLHQGQCKOMTK-UHFFFAOYSA-N 321.220 3.084 5 40 DGBB Cc1ncc([N+](=O)[O-])n1C(=O)Nc1ccc(Cl)c(Cl)c1 16363349 QQVHYBAECNJAHZ-UHFFFAOYSA-N 315.116 3.487 5 40 DGBB Cc1ccc(NC(=O)CSc2ccccc2N)cc1[N+](=O)[O-] 408599855 MVSFOWQORCKRBO-UHFFFAOYSA-N 317.370 3.216 5 40 DGBB Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]1 8375070 ZCIOVRDIQJEIRH-UHFFFAOYSA-N 307.737 3.165 5 40 DGBB O=[N+]([O-])c1cc(OCC(F)(F)F)cc(Br)c1O 169800483 CYJVKKYLGOMGPA-UHFFFAOYSA-N 316.029 3.004 5 40 DGBB Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c(F)c1 8193408 DCHKSPYZMBBZSY-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB CCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 4311113 CBBWSPNQQMUUOO-UHFFFAOYSA-N 309.325 3.246 5 40 DGBB C[C@H](c1cccnc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 93234946 ZCRSXCVAVMLPCI-LLVKDONJSA-N 312.329 3.324 5 40 DGBB Cc1cccc(C(=O)Nc2nnc(CC(C)C)s2)c1[N+](=O)[O-] 6524750 HEAMTXDQFSNCQD-UHFFFAOYSA-N 320.374 3.206 5 40 DGBB Cc1ccccc1C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 4696547 OHWUCLHWQHYSFN-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 17970274 YVWYAAMBPUWXQF-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 359673 SGBHUAGDQFUFGA-GXDHUFHOSA-N 308.293 3.248 5 40 DGBB CC[C@H](C)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4660685 GSPKWVMXRAQERJ-LBPRGKRZSA-N 305.378 3.113 5 40 DGBB Cc1cc2ncn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2cc1C 7785992 OXDXTZXTCRTSTH-UHFFFAOYSA-N 312.285 3.459 5 40 DGBB Cc1ccc(-c2nn3c(=S)[nH]c4ccccc4c3nc2=O)cc1 12536957 BWAGNTSFXQVSMK-UHFFFAOYSA-N 320.377 3.276 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cnc2ccccc2c1 12644349 YJNPGJQIYJCUKI-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 6083672 UVRASSNSMIKKOU-JTQLQIEISA-N 315.285 3.245 5 40 DGBB Cn1c(SC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 408670039 XTRAFDULLNDLEQ-UHFFFAOYSA-N 313.338 3.414 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])c(OCc2cccc(Cl)c2)cc1O 216933133 LNQQAQRTRJEJSC-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB Cc1noc(C)c1CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 96487360 KBRKBOBWXPOUJM-UHFFFAOYSA-N 323.736 3.125 5 40 DGBB Cc1ccc(C(=O)NCCSC2CCCC2)cc1[N+](=O)[O-] 40082575 ALOYXJPQELEVGI-UHFFFAOYSA-N 308.403 3.309 5 40 DGBB O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1 375204 BBFJFJGLAFDPHP-UHFFFAOYSA-N 311.091 3.203 5 40 DGBB COc1cc([N+](=O)[O-])c(OC)cc1Oc1ccc2c(c1)OCO2 32826044 DZFFLIOBJAGBNQ-UHFFFAOYSA-N 319.269 3.133 5 40 DGBB Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] 8395350 FCCCZRPGCIPAPX-CQSZACIVSA-N 312.325 3.157 5 40 DGBB Cn1cnc([N+](=O)[O-])c1NCc1csc(-c2ccccc2)n1 12577833 PJUGVOUFGNTMRS-UHFFFAOYSA-N 315.358 3.064 5 40 DGBB O=C(c1ccsc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 89780825 KCVFHESMHIUKBY-UHFFFAOYSA-N 302.355 3.461 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2n1 89873154 TWWFCCFGFXQZCE-UHFFFAOYSA-N 323.308 3.161 5 40 DGBB CC(C)c1ccc(C(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] 187812518 HIXYLALDIUSUOU-UHFFFAOYSA-N 319.386 3.447 5 40 DGBB Cc1cc([C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)no1 52531158 AGLVPLKHNNAGMC-INIZCTEOSA-N 301.346 3.271 5 40 DGBB O=c1c2c([nH]c3c1ccc1[nH]c4c(c(=O)c13)CCCC4)CCCC2 5386763 KGUJLDTWLOCXAK-UHFFFAOYSA-N 320.392 3.127 5 40 DGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCC[C@H]1CCCNC1 42774259 HGQXWDBYSKZDJA-SNVBAGLBSA-N 318.295 3.382 5 40 DGBB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 6929211 IWRUOEPKPLOEDA-JTQLQIEISA-N 304.277 3.140 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 24542492 ZSPAWYJVAOFTJO-STQMWFEESA-N 306.362 3.072 5 40 DGBB O=C(/C=C/c1ccccc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642526 AGKKRZDSRFUJCN-RMKNXTFCSA-N 321.336 3.074 5 40 DGBB Nc1nc(-c2ccc(F)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1 71977540 WDFXCDKWJZDWHR-UHFFFAOYSA-N 310.288 3.440 5 40 DGBB O=c1c2oc3ccccc3c2ncn1Cc1cccc([N+](=O)[O-])c1 24981034 BLJQUFUOQOOKQU-UHFFFAOYSA-N 321.292 3.099 5 40 DGBB CCCCc1nc2sc3c(ncn4nnnc34)c2c2c1CCC2 2210426 HOESEFUJLYRJEF-UHFFFAOYSA-N 324.413 3.114 5 40 DGBB CCCCN(C)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5503243 UAMVUNIAFFTJDH-UHFFFAOYSA-N 319.405 3.457 5 40 DGBB Cc1c(Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 5656745 PFBYUVXEMIKPQD-UHFFFAOYSA-N 324.340 3.136 5 40 DGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2Cl)Nc2ccccc21 9595691 CAUDLYYKWLPPQU-CYBMUJFWSA-N 303.705 3.102 5 40 DGBB CC(C)/N=c1\ccccn1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 10798412 BKKOXPUYWJJAQB-XYIBPJHQSA-N 311.341 3.059 5 40 DGBB C[C@H]1c2cccn2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 17742828 HNPIDWSKXWEUJB-NSHDSACASA-N 300.318 3.005 5 40 DGBB O=C1COc2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cc2N1 23709074 JVINRTHHIJUMDC-UHFFFAOYSA-N 319.704 3.323 5 40 DGBB C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 30266698 KSUIHJGJIKYBNW-SBDDDAINSA-N 311.341 3.013 5 40 DGBB Cc1cc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc(C)c1Cl 40153721 UZYXGRMTBGCTMC-UHFFFAOYSA-N 321.720 3.151 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)cc1OC 45957573 XWQPSPCZIQXXTM-LLVKDONJSA-N 322.361 3.159 5 40 DGBB Cc1nn(C)c(C)c1[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 78553241 RRZJQUIISJPRAU-VIFPVBQESA-N 322.796 3.449 5 40 DGBB Cc1csc([C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 97112818 GNSLLDRJBPEMPW-SECBINFHSA-N 320.374 3.285 5 40 DGBB Cc1nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C 408730769 INEOBQQIXFZWCE-UHFFFAOYSA-N 310.313 3.042 5 40 DGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)n1cnc2ccccc21 180926 CBUUUUZPRNVAJF-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB Cc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3554507 KTRINQZYZKOXNS-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB O=c1oc2ccccc2n1Cc1c(Cl)cccc1[N+](=O)[O-] 6759995 SOTBDUADEPNTNU-UHFFFAOYSA-N 304.689 3.204 5 40 DGBB O=C(Nc1ccc2c(c1)[nH]c(=O)c1ccccc12)C(F)(F)F 8637600 VYNWVIQEOAIOBA-UHFFFAOYSA-N 306.243 3.182 5 40 DGBB Cc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1[N+](=O)[O-] 13463814 DZIUWPNFJXTLMS-WQLSENKSSA-N 314.322 3.309 5 40 DGBB COCCc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 78774102 UJPLJCAUKBQRNJ-VIFPVBQESA-N 309.347 3.020 5 40 DGBB CC(C)c1cnc(COc2cc(N(C)C)ccc2[N+](=O)[O-])o1 84630749 GELRPMQAROHCPH-UHFFFAOYSA-N 305.334 3.351 5 40 DGBB C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccncc1 97370626 RGGYGMPIQULAAN-LBPRGKRZSA-N 324.340 3.496 5 40 DGBB Cc1cccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-] 102957198 BIZXMRGKBNBOEZ-RGCMKSIDSA-N 302.374 3.458 5 40 DGBB C[C@@]12C[C@H]1CCC[C@@H]2OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104187058 ZPHGSYFIQUAFFP-RIEGTJTDSA-N 320.301 3.239 5 40 DGBB Cc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 105872363 VLODDECTLAOXBU-GMXVVIOVSA-N 305.403 3.378 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)N(Cc1nnc(C3CC3)o1)CCCC2 585116483 YLHIGLTWLWBIRX-UHFFFAOYSA-N 314.345 3.198 5 40 DGBB COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 2648350 VVVKQIDTXYRJIB-LLVKDONJSA-N 300.314 3.346 5 40 DGBB COc1ccccc1C(=O)COc1cc(F)ccc1[N+](=O)[O-] 7757825 GKBLYEVXNFKUHT-UHFFFAOYSA-N 305.261 3.004 5 40 DGBB O=[N+]([O-])c1ccc(N(C[C@@H]2CCOC2)C2CC2)c2ccncc12 97145541 VTHMGSPNJOFPIT-LBPRGKRZSA-N 313.357 3.148 5 40 DGBB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1[N+](=O)[O-])CC2=O 100983563 ISNAEXKEIZRZSW-IAGOWNOFSA-N 316.357 3.319 5 40 DGBB CCCn1c(C)cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C 3532707 HGKXDNNAOPFWJN-UHFFFAOYSA-N 318.377 3.119 5 40 DGBB O=[N+]([O-])c1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 13692152 VGUOBHZRNLNDKZ-UHFFFAOYSA-N 323.337 3.428 5 40 DGBB Cc1cc(C)cc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c1 4331236 LBZLKEIMQCXBGF-UHFFFAOYSA-N 324.344 3.239 5 40 DGBB COc1ccc(OC(=O)C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 68718992 YXCBNROFBVEXDB-UHFFFAOYSA-N 313.309 3.241 5 40 DGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(C)C)no2)c1 7977365 LSAHMIUJCZQLEK-UHFFFAOYSA-N 319.317 3.032 5 40 DGBB CC(=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 13214613 CZGLDORDWWTIHM-UHFFFAOYSA-N 323.308 3.030 5 40 DGBB CC1(C)C(=O)O[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O 529943 FFGXYKSRDSNOTB-XEHSLEBBSA-N 317.341 3.155 5 40 DGBB Cc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1[N+](=O)[O-] 2728722 HPUSZXUPCALIQZ-UHFFFAOYSA-N 303.343 3.101 5 40 DGBB CC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4438680 YILZHWDQPRZWAC-UHFFFAOYSA-N 302.242 3.498 5 40 DGBB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])c1 4892084 WYNIPAJZZNSVAY-GFCCVEGCSA-N 315.329 3.013 5 40 DGBB O=c1[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccc12 14241875 GNJMUGVNOFESPM-UHFFFAOYSA-N 307.718 3.213 5 40 DGBB C[C@@H](Cc1cccs1)Nc1ncc([N+](=O)[O-])c(NC2CC2)n1 25574842 ITXKAJAHGDGKKF-VIFPVBQESA-N 319.390 3.064 5 40 DGBB C[N+]1(Cc2ccccc2)CC[C@]2(C(=O)O)C[C@@H]1Cc1ccccc12 104116779 ZSTKHFZJJDBRBJ-FBIGCWIYSA-O 322.428 3.374 5 40 DGBB O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 35307610 WXPDXEPXZUHXIN-UHFFFAOYSA-N 324.239 3.154 5 40 DGBB COc1ccccc1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 18172889 MVWAGRFCLIQVFH-UHFFFAOYSA-N 315.329 3.267 5 40 DGBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2 4028616 BODPOXCWBVHGKA-IVAAQHKWSA-N 302.438 3.181 5 40 DGBB CCCCC[C@@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5973291 CYSNZPLDVDMACN-CYBMUJFWSA-N 308.378 3.310 5 40 DGBB CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(C)CCCCC2)cc1 27666085 PWHRTRHOQCRWEH-QGZVFWFLSA-N 306.470 3.354 5 40 DGBB O=C(Nc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1F)C1CC1 29526783 PSVKOKFLJKLBGW-UHFFFAOYSA-N 316.292 3.221 5 40 DGBB O=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 30729163 SFBYLUNXRRSEEP-UHFFFAOYSA-N 305.202 3.204 5 40 DGBB in-vitro C[C@H]1CC[C@H](CCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1 95973890 BMBUISCRRZIYOE-QWHCGFSZSA-N 318.373 3.222 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 2161166 GGHFDKIGDQKBMQ-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB Cc1nc2c(c(=O)c3ccccc3n2C)c2nc3ccccc3n12 5205854 ZJZKFXHQQHFJMZ-UHFFFAOYSA-N 314.348 3.196 5 40 DGBB CCOc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)ccc1OC 15566055 PZCAPPROEPVTAU-UHFFFAOYSA-N 317.297 3.221 5 40 DGBB Cc1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C 20049447 ZLBYRKGXRLTKDD-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB Cc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 65306 VMVTUIHINXFRKP-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1 526689 RTMOHIUWLIAADG-MARPTJLWSA-N 318.437 3.261 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(Cl)n1C 96404455 KWPISLLTUDWODA-JTQLQIEISA-N 308.769 3.175 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)nc1 25166801 AAZZFTRCSCYYJG-UHFFFAOYSA-N 300.299 3.191 5 40 DGBB CCNCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C 95955854 KOTIHQHREUWCQE-UHFFFAOYSA-N 313.357 3.265 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])c(OCC(C)C)cc1Cl 225726463 KAGAJEPXBOPAEF-UHFFFAOYSA-N 301.726 3.460 5 40 DGBB CCOc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])cc1 354015 AKXFDARWJZWDQV-NXVVXOECSA-N 311.293 3.358 5 40 DGBB COC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4892436 LKBZMXIFTBKUNN-UHFFFAOYSA-N 315.285 3.025 5 40 DGBB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc1 7911984 ZXTRZPSDWGBVJB-MDZDMXLPSA-N 307.302 3.179 5 40 DGBB O=[N+]([O-])c1cc(Cl)cc(/C=C2/SC(=S)N=C2O)c1O 34387683 ARPSXTYRZVEFHB-FARCUNLSSA-N 316.747 3.283 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2n1 58209667 XAABVYLIZKXPNZ-UHFFFAOYSA-N 322.324 3.437 5 40 DGBB COc1ccc(SCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 59445392 KRJROHYAZWCYPP-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1 259789 JZYMFMJJBMGPQE-UHFFFAOYSA-N 323.308 3.426 5 40 DGBB CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1 2679922 SGEDQBGMXDQROZ-CQSZACIVSA-N 324.421 3.139 5 40 DGBB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc([N+](=O)[O-])o1 46726479 AZFUVFDWNFUSDN-SECBINFHSA-N 308.721 3.202 5 40 DGBB O=[N+]([O-])c1ccc2ncnc(NCCc3ccsc3)c2c1 81589652 HKYXTRHFFBPFQD-UHFFFAOYSA-N 300.343 3.254 5 40 DGBB O=[N+]([O-])c1ccc(OC[C@H](O)c2ccccc2)c2ncccc12 95438992 DCYWZMRVDQHMTB-HNNXBMFYSA-N 310.309 3.255 5 40 DGBB CCO[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 96432497 LNNFKSVXSZOPBB-GJZGRUSLSA-N 318.373 3.062 5 40 DGBB CCN(Cc1nc(C(C)(C)C)no1)Cc1ccccc1[N+](=O)[O-] 97679537 PDSWZTGHDJOFMA-UHFFFAOYSA-N 318.377 3.297 5 40 DGBB C[C@@H](C[S@@](C)=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 129615707 BPMXVGXEUDFJOW-QQOXFEPMSA-N 311.190 3.081 5 40 DGBB COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 226293230 GQXNWDQTNAIVMW-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB COc1cc([N+](=O)[O-])c(OC)cc1N1CCc2ccccc21 252497629 QLFXTAYISAXQAR-UHFFFAOYSA-N 300.314 3.306 5 40 DGBB O=CNc1cc2oc(=O)c3ccccc3c2cc1Br 1730702 AHBCMHZWAVFBTL-UHFFFAOYSA-N 318.126 3.277 5 40 DGBB Cc1c(C(=O)OCCOc2ccccc2F)cccc1[N+](=O)[O-] 3271975 PBCSIVKAEAYCBB-UHFFFAOYSA-N 319.288 3.278 5 40 DGBB C[C@H](SCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 7132252 PHBUZONOIUKPQH-NSHDSACASA-N 308.403 3.448 5 40 DGBB COc1cc(OC)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 8185954 GGQAWYDTBBHCBI-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB Cc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 23040612 ZKZWTQSJEMFYKE-UHFFFAOYSA-N 312.369 3.413 5 40 DGBB C[N+]1(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CCCCCC1 36640194 DLAPRYASTKTTJE-NRFBVMONSA-N 322.513 3.353 5 40 DGBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc[nH]n1 48033116 YITDWPIXILIWPK-UHFFFAOYSA-N 320.304 3.026 5 40 DGBB C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 97032371 DTJPWBAYUZGVRI-LRDDRELGSA-N 318.352 3.014 5 40 DGBB Cc1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)cc1 6270177 OFCXUZOLXYUSNN-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB Cc1cc(NC(=O)CN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C 6049294 FEROKPWCSKMTRU-ZDUSSCGKSA-N 305.378 3.025 5 40 DGBB CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 96432498 LNNFKSVXSZOPBB-HUUCEWRRSA-N 318.373 3.062 5 40 DGBB C[C@]12C[C@H]1CCC[C@@H]2OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5409724 ZPHGSYFIQUAFFP-DGFSRKRXSA-N 320.301 3.239 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 5510712 BNULKQQCPXSUBY-NSHDSACASA-N 300.314 3.094 5 40 DGBB CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 14219566 AJEORDWAIBRWGI-CYBMUJFWSA-N 320.370 3.024 5 40 DGBB COc1cc(Nc2[nH]nc(C)c2[N+](=O)[O-])c(OC)cc1Cl 4457750 WYMDZCYSZLJKQI-UHFFFAOYSA-N 312.713 3.041 5 40 DGBB Cc1cc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 429820 ASYXSQOVSRKUER-UHFFFAOYSA-N 323.352 3.243 5 40 DGBB O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 4696723 VEUIMDACLPJDDY-RCTBWUFCSA-N 320.304 3.496 5 40 DGBB aggregator COC(=O)c1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 4721824 OAZLTQNRHLJEGC-INIZCTEOSA-N 324.336 3.363 5 40 DGBB CCC[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 84740743 PKKDEXZSXICKQG-LLVKDONJSA-N 323.368 3.359 5 40 DGBB CC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 360147 FSDWUUYFQNVQMU-CMDGGOBGSA-N 310.309 3.449 5 40 DGBB Cc1nn(Cc2ccccc2Br)c(C)c1[N+](=O)[O-] 5797529 NRJRMHQPGTVARI-UHFFFAOYSA-N 310.151 3.219 5 40 DGBB O=S(=O)(O)[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34 6567649 PKFDIBWZKCQRSF-QGZVFWFLSA-N 312.346 3.463 5 40 DGBB CC(C)(C)C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 8556015 CTSHTCYXNCZNSI-UHFFFAOYSA-N 315.782 3.107 5 40 DGBB CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 29147946 RQJLVFHWOFLEMB-CQSZACIVSA-N 308.341 3.366 5 40 DGBB O=[N+]([O-])c1cccc(-c2noc(CNc3ccccc3F)n2)c1 55824852 XXQZMSULDKYPLT-UHFFFAOYSA-N 314.276 3.396 5 40 DGBB CC(=O)N(C)c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1 96429047 YAIMGRPAUHHEJD-UHFFFAOYSA-N 318.304 3.296 5 40 DGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccco3)nc12 4070158 UFNPAMJYGSMTAQ-UHFFFAOYSA-N 319.298 3.058 5 40 DGBB O=c1cc(CNC[C@H]2CCCO2)c2c(ccc3ccccc32)o1 7987486 QSSCTYXVPCTLEC-OAHLLOKOSA-N 309.365 3.215 5 40 DGBB Cc1cccc2c1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC2=O 24985677 DEDWJWMVAVCMDE-CQSZACIVSA-N 317.732 3.411 5 40 DGBB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C/C(N)=O)o2)cc1Cl 40541576 PASMGUYIWKQAKE-HWKANZROSA-N 306.705 3.315 5 40 DGBB CCN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 45885928 KXZYPZYAZKDPRH-UHFFFAOYSA-N 304.177 3.044 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)nc1 49980270 XTLAREXGGHYJNT-UHFFFAOYSA-N 316.336 3.210 5 40 DGBB COC(=O)c1cc(Cl)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 70462589 GNUFTOOUJOVRSM-SECBINFHSA-N 312.753 3.414 5 40 DGBB COC(=O)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 26209664 QPDSQJGOLBRMJY-UHFFFAOYSA-N 314.341 3.013 5 40 DGBB CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 97105119 ZHTOKVOEVSXDCC-SECBINFHSA-N 303.405 3.135 5 40 DGBB O=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1C(=O)O 16449392 ZEYFSKFBDANLKE-UHFFFAOYSA-N 303.295 3.257 5 40 DGBB COC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C 4058930 XJCPBKXHQMPJSA-LLVKDONJSA-N 320.267 3.223 5 40 DGBB CCCN(CCC)CCc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1 62719539 MPBMFRXQJIWUMZ-UHFFFAOYSA-N 317.393 3.044 5 40 DGBB COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 15193278 SPBZGDGRVSNBRP-UHFFFAOYSA-N 320.326 3.004 5 40 DGBB Cc1cc(-c2nn3c(C(C)C)nnc3s2)ccc1[N+](=O)[O-] 95481697 WIYCKEHUOHZZCS-UHFFFAOYSA-N 303.347 3.193 5 40 DGBB COc1ccc(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 5109356 QUZQAMDDXZVHLA-NSHDSACASA-N 301.298 3.254 5 40 DGBB O=[N+]([O-])c1cccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 12082668 MQIDOSZWOHIIJI-UHFFFAOYSA-N 311.257 3.190 5 40 DGBB CCCCOCCCNC(=O)Nc1cccc([N+](=O)[O-])c1C 40099081 WCLSOCVFSXLOQU-UHFFFAOYSA-N 309.366 3.232 5 40 DGBB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 55676429 NAKLQWUFWXBHKP-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C)c(C)s1 72303869 BASWUSFRTLBBKH-UHFFFAOYSA-N 320.374 3.298 5 40 DGBB O=c1c2ccoc2ccn1Cc1ccc([N+](=O)[O-])cc1Cl 97238136 ZHSSAPULBKJUCR-UHFFFAOYSA-N 304.689 3.204 5 40 DGBB C[C@@H](c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 25494106 ZKSWTJOVFLVIFP-NSHDSACASA-N 313.361 3.157 5 40 DGBB CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2742123 JKJMFBLXPHUQNY-UHFFFAOYSA-N 315.285 3.318 5 40 DGBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 3953457 ZXUUTPKDKOWHNZ-OAHLLOKOSA-N 304.371 3.388 5 40 DGBB COc1ccccc1CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 19163754 GMAPFMVYLOCWRN-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB O=C(NCc1ccc(O)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] 95427741 MZOLPDYJKNQCHH-UHFFFAOYSA-N 324.695 3.023 5 40 DGBB CC(=O)c1ccc(N[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 77238223 KMBJLKUEQHMDHD-OAHLLOKOSA-N 314.341 3.333 5 40 DGBB C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F 44314178 JCGRZSWZCGYGLV-SSDOTTSWSA-N 312.297 3.426 5 40 DGBB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 315774 BFUCAADLOAXGCB-ZROIWOOFSA-N 312.256 3.078 5 40 DGBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 524707 DKQNMFVAGRQTEN-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB CCc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4353982 CSGGWOSFFKHHQE-UHFFFAOYSA-N 320.370 3.266 5 40 DGBB CCOC(=O)Nc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O 22243066 WNTFHGJNOCHBRV-UHFFFAOYSA-N 312.281 3.375 5 40 DGBB Cc1c(N2CCNC2=O)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C 44676153 CXGOCBYSCCQVGY-UHFFFAOYSA-N 317.389 3.392 5 40 DGBB C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc2c(c1)CCO2 60863095 XRVFRSMFKMOBMD-LLVKDONJSA-N 324.340 3.351 5 40 DGBB CNc1ccc(CN[C@@H](C)c2ccccc2OC)cc1[N+](=O)[O-] 71792489 RIGBXMZWWLSAQI-LBPRGKRZSA-N 315.373 3.496 5 40 DGBB CCOc1cc(Br)c(/C=C/[N+](=O)[O-])cc1OCC 9296412 MCMRJTZCTWRUFV-AATRIKPKSA-N 316.151 3.494 5 40 DGBB Cc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])s1 7121105 ZWVDIDAPYQPTMG-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB CC[C@@H](NC(=O)N1CCCSCC1)c1cccc([N+](=O)[O-])c1 267434474 RIGCMUJUPJZBBS-CQSZACIVSA-N 323.418 3.194 5 40 DGBB O=C1N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)Nc2ccccc21 3239735 QXSNGLOPGJMYRX-CYBMUJFWSA-N 303.705 3.102 5 40 DGBB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 568773 DBWLKDLRDKVFDB-UHFFFAOYSA-N 300.358 3.149 5 40 DGBB Cn1/c(=N\C(=O)C2CCCCC2)sc2cc([N+](=O)[O-])ccc21 3200471 BPWSYVDLQPACAI-FOCLMDBBSA-N 319.386 3.156 5 40 DGBB O=C(COc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl 3203271 NNCGWPQTJBYUSJ-UHFFFAOYSA-N 324.695 3.405 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1 26508861 WIKAXWHBDSISCQ-UHFFFAOYSA-N 323.305 3.034 5 40 DGBB COC(=O)c1ccc(CN(C)c2ccccc2[N+](=O)[O-])cc1 30522214 MZVBOCODQKTLKS-UHFFFAOYSA-N 300.314 3.018 5 40 DGBB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1[N+](=O)[O-] 2299462 UWGHNEYAYUPSJP-UKTHLTGXSA-N 312.256 3.078 5 40 DGBB Cc1c(NC(=O)CC2(C(=O)O)CCCCC2)cccc1[N+](=O)[O-] 13249290 DMQLRGMPHYBNSB-UHFFFAOYSA-N 320.345 3.267 5 40 DGBB C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2 48354565 CIRGZSNIVGMJLP-SECBINFHSA-N 315.304 3.402 5 40 DGBB CC[N+](C)(CC)C[C@H](O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 245240472 VVKLZZCUENYXJG-XLAORIBOSA-N 300.507 3.311 5 40 DGBB O=[N+]([O-])c1ccc(OC(=S)Oc2ccc([N+](=O)[O-])cc2)cc1 1662601 FICYQLPUFKQUKP-UHFFFAOYSA-N 320.282 3.246 5 40 DGBB Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 3138958 KNUICVKDMQGVFJ-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 4058881 SKPJDBFAYPCRKC-QMMMGPOBSA-N 319.239 3.282 5 40 DGBB Cc1c(NC(=O)c2ccc3nsnc3c2)cccc1[N+](=O)[O-] 8072046 ICLKJVFZQLJNRA-UHFFFAOYSA-N 314.326 3.160 5 40 DGBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2Cl)cc1 8435768 AVLTUCYOEDSGSD-UHFFFAOYSA-N 305.765 3.450 5 40 DGBB O=C(NCC1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12521725 QHXASMDXZGOQFV-UHFFFAOYSA-N 311.341 3.478 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl 34763542 QFTAGLWUTDBYHH-UHFFFAOYSA-N 308.515 3.187 5 40 DGBB Cc1cccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])c1C 41156587 HFPCVNGJWNTEJV-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CCN(Cc1ccccc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 284729 AWNIISRLZDQMFG-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB CCc1nc2sc3c(ncn4cnnc34)c2c2c1CCCC2 500115 NWWWDGLRMSJQIS-UHFFFAOYSA-N 309.398 3.328 5 40 DGBB CC[N+](C)(CC)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)CC1(C)C 1584607 BFGPCGWIISNUOO-JKSUJKDBSA-N 310.483 3.114 5 40 DGBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C(C)(C)C)c1C 9064135 BOXWWGISWKRROP-UHFFFAOYSA-N 309.391 3.071 5 40 DGBB CSc1ccc(C(=O)N[C@H](C)c2cccnc2)cc1[N+](=O)[O-] 9118293 IWMHHELCWBOVLR-SNVBAGLBSA-N 317.370 3.203 5 40 DGBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1 5091297 ASWCLHBERNHUCB-JTQLQIEISA-N 316.365 3.229 5 40 DGBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(Cl)c1 75127487 FOXUOPLMAWGCEK-VIFPVBQESA-N 317.732 3.235 5 40 DGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(C(C)C)C1=O 409021751 WWLYYONXICZMBB-KPKJPENVSA-N 322.342 3.048 5 40 DGBB Cc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1C 506130 QJKDBDDOYQHEBH-UHFFFAOYSA-N 316.361 3.187 5 40 DGBB COc1cc(C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OC 5711848 VBIADIVWIHMDLX-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C 19159413 HTLJZYZBZMVAPK-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB CC[N+](C)(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 36631476 XOEAHQSQGDPACU-GOSISDBHSA-N 300.422 3.190 5 40 DGBB COc1cccc(COC(=O)c2cccc(C)c2[N+](=O)[O-])c1 13159744 HVTOSHONNJGVFO-UHFFFAOYSA-N 301.298 3.269 5 40 DGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 14292028 UAXCMLIHFKJQPQ-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB Cc1c(Cn2cc(C(F)(F)F)ccc2=O)cccc1[N+](=O)[O-] 47368363 LIRZCTDQHMRSRJ-UHFFFAOYSA-N 312.247 3.132 5 40 DGBB O=[N+]([O-])c1ccccc1[C@@H](O)[C@H](c1ccccc1)[n+]1ccccc1 1556120 SXEIUHKAEFPPJK-RBUKOAKNSA-N 321.356 3.205 5 40 DGBB O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1618632 PHCUSRZMXVSBFJ-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Nc1nc(CSc2nc3cc([N+](=O)[O-])ccc3o2)cs1 4372083 FIJYCACBCHIQMQ-UHFFFAOYSA-N 308.344 3.067 5 40 DGBB Cc1ccc(F)cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1 7972765 BEEXVGAHOKIIJL-UHFFFAOYSA-N 303.293 3.093 5 40 DGBB O=[N+]([O-])c1ccc(-c2ncn(Cc3nc4ccccc4o3)n2)cc1 95965160 KYSVXFQAQNFXET-UHFFFAOYSA-N 321.296 3.043 5 40 DGBB O=[N+]([O-])c1cc(OC(F)(F)F)c(Br)cc1F 95215608 HHNWCTZAWJRZNO-UHFFFAOYSA-N 303.993 3.395 5 40 DGBB O=[N+]([O-])c1ccc(NCCc2ccccn2)cc1OC(F)F 96427278 KFTFANLADUBRJV-UHFFFAOYSA-N 309.272 3.246 5 40 DGBB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc([N+](=O)[O-])cc1 19874466 WFEYXSMSLILRMA-QGZVFWFLSA-N 323.352 3.320 5 40 DGBB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] 6647222 URRLFHLYTAXZBO-UHFFFAOYSA-N 323.308 3.404 5 40 DGBB OCCCNC(=S)Nc1ccc2cc3ccccc3nc2c1 409189158 JBXIUBKOCYRPQJ-UHFFFAOYSA-N 311.410 3.057 5 40 DGBB Nc1nc(Cl)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 3893265 KMMBLFDYYOVSLI-UHFFFAOYSA-N 300.105 3.017 5 40 DGBB CC(C)C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 9668218 BMOSIFQWQWAMEG-UHFFFAOYSA-N 305.359 3.237 5 40 DGBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sccc12 9835844 ODWKVFRINMUAJG-UHFFFAOYSA-N 318.383 3.474 5 40 DGBB O=C(NCc1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 20369886 ZVAFFNVGBNDXGI-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB O=[N+]([O-])c1cn(Cc2c(-c3ccccc3)nc3ccccn23)cn1 65590067 KELFSDAENTUEBO-UHFFFAOYSA-N 319.324 3.154 5 40 DGBB C[C@@H]1CCCC[C@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] 84692103 NZIWLIPPVQTWBB-CHWSQXEVSA-N 318.377 3.250 5 40 DGBB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])CC2=O 100983570 ISNAEXKEIZRZSW-IRXDYDNUSA-N 316.357 3.319 5 40 DGBB CCOc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 2655410 ZPXJIKNNMDATHB-UHFFFAOYSA-N 301.298 3.351 5 40 DGBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 12789724 NTGFVKZGFUBISJ-LLVKDONJSA-N 302.305 3.154 5 40 DGBB CN(C)c1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F 48310593 GAXFLRISAMAOGS-UHFFFAOYSA-N 321.283 3.191 5 40 DGBB Cc1nn(C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 71904216 WAVXIMUHQRRNDB-JTQLQIEISA-N 311.345 3.358 5 40 DGBB CC(=O)Nc1cccc(OCCOc2cccc([N+](=O)[O-])c2)c1 1703071 NEZMMMCZSVRWFY-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 3098195 TVDPNCLYRNJPDQ-UHFFFAOYSA-N 317.141 3.245 5 40 DGBB Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2nonc12 4016558 LLXACWOSPGXNRS-UHFFFAOYSA-N 315.245 3.091 5 40 DGBB CC1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 32869450 KWFPPQPDKXBZKJ-UHFFFAOYSA-N 317.389 3.478 5 40 DGBB CC(=O)c1ccc(-n2nncc2-c2cccc(C)c2[N+](=O)[O-])cc1 32936402 UYTCERYBAGGRGU-UHFFFAOYSA-N 322.324 3.354 5 40 DGBB Cn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 58104715 MOXPOTDUQZZSJL-UHFFFAOYSA-N 302.337 3.374 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccn1C 79355358 YTTKDOJFCIMNIG-MRXNPFEDSA-N 313.357 3.219 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)c2nonc12 408603171 DTNFDURXJDWVTN-UHFFFAOYSA-N 314.282 3.423 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)OCc1ccc2c(c1)OCO2 1590476 NPOVFVVJISAHTB-UHFFFAOYSA-N 316.269 3.072 5 40 DGBB CC1(C)COC(CCCC(=O)c2cccc([N+](=O)[O-])c2)OC1 2518059 HNLLTLRBRGZANY-UHFFFAOYSA-N 307.346 3.347 5 40 DGBB Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3511549 ALBJOOAKVUBTFI-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB COc1ccc(C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 8343045 ONZZDARGRABITA-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 12928767 PEPSDXOZZCMCIA-JTQLQIEISA-N 320.295 3.293 5 40 DGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C(C)C 14257737 NDFUQPLWHYBRCH-UHFFFAOYSA-N 315.782 3.026 5 40 DGBB CN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1[N+](=O)[O-] 15249357 SWJGAKVTUYIBJG-SIFUEBAJSA-N 309.325 3.132 5 40 DGBB Cc1cccc(OCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 21785584 UPWJAMRZNREAOT-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](N2CCCC2)C1 58279912 DMNPMSVBKAIBLM-CYBMUJFWSA-N 309.797 3.313 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2ccnc2)c1 78570113 MYVOUCBZEFSXLI-LBPRGKRZSA-N 309.329 3.349 5 40 DGBB O=[N+]([O-])c1ccc(NCn2nnc3ccccc32)cc1Cl 4015185 LDXLXDHIYWSJNV-UHFFFAOYSA-N 303.709 3.063 5 40 DGBB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17054284 UJFBSKBKPSREJY-SNVBAGLBSA-N 317.370 3.296 5 40 DGBB CSc1cccc(NP2(=O)OCC(C)([N+](=O)[O-])CO2)c1 1709709 MTQWLMZTZPMOAH-UHFFFAOYSA-N 318.291 3.011 5 40 DGBB CCOC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 1746123 AMQQAAGNLXOYRH-UHFFFAOYSA-N 300.314 3.384 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nccnc2c1 6505884 PKYQADGQLRLNPX-UHFFFAOYSA-N 309.285 3.182 5 40 DGBB Cc1ccc(OCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])n1 7154159 LADMWGHBKXGAAT-UHFFFAOYSA-N 318.720 3.178 5 40 DGBB C[C@@H]1c2cccn2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 17742830 HNPIDWSKXWEUJB-LLVKDONJSA-N 300.318 3.005 5 40 DGBB Cc1c(C(=O)OCC(=O)c2cccs2)cccc1[N+](=O)[O-] 3226537 QJEYEBMJKWWGFF-UHFFFAOYSA-N 305.311 3.004 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1=Cc2ccccc2OC1 5034361 DPHCPUSRDQTYOE-UHFFFAOYSA-N 310.309 3.318 5 40 DGBB O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)cc1 4859560 NEJGJEZOPVVSAF-UHFFFAOYSA-N 301.321 3.061 5 40 DGBB COc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102999172 ONPHOBAWYXLNFV-FMCLSXCISA-N 318.373 3.158 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccccc1 16228001 OOPPCCGSRYGYRI-GFCCVEGCSA-N 313.357 3.170 5 40 DGBB C[N+]1(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CCCC1 36640179 FLCPNFNXYUXGLH-NRFBVMONSA-N 322.513 3.211 5 40 DGBB CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCc2ccccc21 30978281 JQBWSXKDXHPKQB-LBPRGKRZSA-N 302.355 3.416 5 40 DGBB C[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40079780 FMQMZCTYBBTCNL-NSHDSACASA-N 324.340 3.304 5 40 DGBB CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1[N+](=O)[O-] 101349986 FVLGPHLJMXVKHZ-UHFFFAOYSA-N 310.309 3.434 5 40 DGBB O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 56852 JWPZXDPPTKHUBO-UHFFFAOYSA-N 318.716 3.460 5 40 DGBB CC(=O)Oc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 349184 QHUDOIYMXCKOFA-UHFFFAOYSA-N 314.297 3.081 5 40 DGBB CC[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 1710494 IXHRNZUYAZVMPB-CQSZACIVSA-N 320.389 3.453 5 40 DGBB Cc1cc(N2CCc3ccccc3[C@@H]2CN)c(F)cc1[N+](=O)[O-] 569577669 XGDHKXKHIXQDLZ-KRWDZBQOSA-N 315.348 3.105 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2sccc2C1 12781088 MVDJXJUYRKATPC-UHFFFAOYSA-N 318.354 3.006 5 40 DGBB CN(C)C(=O)COC(=O)c1c2ccccc2cc2ccccc12 3332263 NCCGJDAANYVSDV-UHFFFAOYSA-N 307.349 3.238 5 40 DGBB COc1ccc([C@H](C[N+](=O)[O-])OC)cc1OCc1ccccc1 65734749 VHENNGKCCKIURS-KRWDZBQOSA-N 317.341 3.238 5 40 DGBB in-vitro Cc1c([C@@H](C)NCc2cn3ccsc3n2)cccc1[N+](=O)[O-] 95421028 CMWYWUDLDHPFNR-LLVKDONJSA-N 316.386 3.463 5 40 DGBB CC(=O)c1cc(C)ccc1Oc1ccc([N+](=O)[O-])c2nonc12 66089224 ZVJXKUDJDLQOSL-UHFFFAOYSA-N 313.269 3.434 5 40 DGBB O=C(NCCc1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] 20020440 XQWLJAAWQHFBIX-UHFFFAOYSA-N 310.762 3.282 5 40 DGBB O=[N+]([O-])c1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 5346115 NOLTXCDWMVLZAN-UHFFFAOYSA-N 313.298 3.021 5 40 DGBB C[C@H]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 178718 ILOOTNORNYOVEY-YJBOKZPZSA-N 317.433 3.291 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(Cc2ccccc2)c1 7916199 GVKNLEDCBULNQB-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1C 12983531 KDFYQPMKSAZOHC-UHFFFAOYSA-N 320.326 3.004 5 40 DGBB Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 56514322 GEZYPFQOWSQORL-UHFFFAOYSA-N 318.333 3.334 5 40 DGBB Cc1cc(N2CCC([C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2n1 97083868 BGFFZTXEFQHQDG-GFCCVEGCSA-N 315.373 3.049 5 40 DGBB Cc1nc(Sc2nc3ccccn3c2[N+](=O)[O-])sc1C 78447372 CXLRLBHQUNDBSG-UHFFFAOYSA-N 306.372 3.467 5 40 DGBB O=C(NCCSCc1cccs1)c1ccc([N+](=O)[O-])cc1 7271303 XUABFEZTVRWYOG-UHFFFAOYSA-N 322.411 3.320 5 40 DGBB O=[N+]([O-])c1cc(Cl)cc2c1nc(NCCO)c1ccccc12 22912001 VSWCCNDGUZELDO-UHFFFAOYSA-N 317.732 3.354 5 40 DGBB in-vitro CC(=O)[C@@H](C)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 8510827 REGVOEBDZBNXHW-LLVKDONJSA-N 312.321 3.317 5 40 DGBB biogenic Cc1ccc(Cl)cc1NC(=O)CCCn1cc([N+](=O)[O-])cn1 1432133 XDPKQNGGTWCOPU-UHFFFAOYSA-N 322.752 3.172 5 40 DGBB Nc1ccc(SCc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 1624328 QXVAQDISTCYULP-UHFFFAOYSA-N 304.327 3.168 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccccc1 68886 BPOOLPNNTLALBB-MRXNPFEDSA-N 314.366 3.483 5 40 DGBB CC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 9364914 FZBRKBSNEBCCAV-ZHACJKMWSA-N 310.309 3.449 5 40 DGBB CC(C)CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 27110769 INWNCEJQHJOYMC-UHFFFAOYSA-N 305.378 3.044 5 40 DGBB COc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 225991167 LQZBGUHGOPIGDH-UHFFFAOYSA-N 312.325 3.274 5 40 DGBB Cc1nn(C)c(N[C@H]2CCc3c(Cl)cccc32)c1[N+](=O)[O-] 57147322 GMLPXJHFOIVPJW-LBPRGKRZSA-N 306.753 3.390 5 40 DGBB CC(C)c1nnc(Sc2ncccc2[N+](=O)[O-])n1C1CC1 10044617 ARJMHAOJZCWFQC-UHFFFAOYSA-N 305.363 3.191 5 40 DGBB CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 76067391 BXPMRTTXBILWHB-OCCSQVGLSA-N 308.403 3.341 5 40 DGBB Cc1ccc2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)n2c1 71459283 DHYJIWDJYCKDNU-UHFFFAOYSA-N 310.313 3.112 5 40 DGBB CSc1nc(O)c2snc(-c3ccc([N+](=O)[O-])cc3)c2n1 575362718 XRHLYHREBFFBDW-UHFFFAOYSA-N 320.355 3.089 5 40 DGBB CS(=O)(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 96410287 MEFUMIUCGWSPHT-UHFFFAOYSA-N 309.368 3.150 5 40 DGBB CSC[C@@H](C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc12 585130198 KIODFZPXRGSTRD-SECBINFHSA-N 305.359 3.081 5 40 DGBB O=C1c2ccc(Cl)cc2C(=O)N1c1ccccc1[N+](=O)[O-] 5002547 IQVMWIGDAAAZNA-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB CC(C)OCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 30370594 FHQSUASDJCAECW-UHFFFAOYSA-N 318.329 3.043 5 40 DGBB NC(=O)c1coc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)c1 83015923 CHDJEVKELOQKOD-UHFFFAOYSA-N 315.310 3.077 5 40 DGBB O=[N+]([O-])c1cccc([C@H](O)Cn2ccnc2-c2cccs2)c1 95974659 HMCCOZCTQODDSM-CYBMUJFWSA-N 315.354 3.253 5 40 DGBB C[C@H]1C[C@H](C)CCN1c1c([N+](=O)[O-])c(=O)oc2ccccc12 253566601 JDGBERZXNHFTLX-MNOVXSKESA-N 302.330 3.326 5 40 DGBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 4746514 UDOJNUPCQPHHQI-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB CO[C@H]1CCC[C@@H](OC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 69148445 VLTOELHTWXPKSR-DWOOFBTHSA-N 323.320 3.248 5 40 DGBB CSC[C@H](C)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc12 585130199 KIODFZPXRGSTRD-VIFPVBQESA-N 305.359 3.081 5 40 DGBB Cc1cccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 373671 PYKPCAKATQIPSE-UHFFFAOYSA-N 304.277 3.060 5 40 DGBB Cc1nc(C)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 89557997 JXGRYGPWTMWZIE-UHFFFAOYSA-N 315.329 3.004 5 40 DGBB COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 223501286 YNECHZPDCXZJKX-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl 225125296 BMSMDYPEWWBHNL-AWEZNQCLSA-N 321.716 3.323 5 40 DGBB Cc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 190760 OHWUCLHWQHYSFN-XNTDXEJSSA-N 308.293 3.248 5 40 DGBB Cc1ccc(-n2c(S)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 5687775 FAQKMUFCAMKSMK-UHFFFAOYSA-N 312.354 3.440 5 40 DGBB COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 15041781 QLSOWYNWUALEMX-UHFFFAOYSA-N 316.357 3.244 5 40 DGBB CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 3382384 AYSPWTLQRMUKLT-UHFFFAOYSA-N 300.314 3.027 5 40 DGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc21 288744 WQTGRCWADPQVMG-UHFFFAOYSA-N 302.717 3.451 5 40 DGBB CC1(C)COC(CCCC(=O)c2ccc([N+](=O)[O-])cc2)OC1 2518060 IWRQPFNOROSSTR-UHFFFAOYSA-N 307.346 3.347 5 40 DGBB O=[N+]([O-])c1cccnc1N[C@H]1CCCN(Cc2ccccc2)C1 40091219 FSVQJOLITOLZBM-HNNXBMFYSA-N 312.373 3.066 5 40 DGBB O=C(Nc1ccc(F)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990899 RTMGWINKLWFCTB-UHFFFAOYSA-N 300.289 3.404 5 40 DGBB Cc1c(NC(=O)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3151740 NMQKWYSVEIGLIF-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OC 16688816 SUNOMKWLJHJVSK-VURMDHGXSA-N 304.302 3.469 5 40 DGBB C[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 23674109 QRCMMKXUUPZZIG-OAHLLOKOSA-N 311.385 3.478 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3[nH]2)nc1 89866477 WVTLTLJXWKEREG-AWEZNQCLSA-N 309.329 3.208 5 40 DGBB O=[N+]([O-])c1cc(CNCCc2c[nH]c3ccccc23)ccc1O 57801049 FQRBHJISJAWEHH-UHFFFAOYSA-N 311.341 3.114 5 40 DGBB CSC(C)(C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 97010415 IYSBEZLKGDCOMC-JTQLQIEISA-N 311.407 3.097 5 40 DGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2ccccc21 196222 WIHYVEXSAJPIBO-UHFFFAOYSA-N 301.689 3.286 5 40 DGBB CSc1ccc(C(=O)OCc2c(C)noc2C)cc1[N+](=O)[O-] 3448384 GEQMINILJHSOGC-UHFFFAOYSA-N 322.342 3.279 5 40 DGBB O=[N+]([O-])c1ncccc1OCc1cc(-c2cccs2)on1 7371061 FPWSLQNYNZGDIK-UHFFFAOYSA-N 303.299 3.285 5 40 DGBB Cc1cccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 20496132 PFSPDDRWLBRLLT-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnc2ccccc2c1 65859215 BISBPZZAUKBAAZ-UHFFFAOYSA-N 322.324 3.194 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(Nc3ccccc3F)CC2)cn1 78370517 PWZPJDSICAVCCS-UHFFFAOYSA-N 316.336 3.210 5 40 DGBB COCCc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 78774106 UJPLJCAUKBQRNJ-SECBINFHSA-N 309.347 3.020 5 40 DGBB Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cn1 93434097 PVRULUVBTCBGDM-UHFFFAOYSA-N 323.150 3.068 5 40 DGBB CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Br 575700886 XYGWUTNQPCYJDE-UHFFFAOYSA-N 308.515 3.187 5 40 DGBB C[C@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8562316 CQHYZVAFHSJCMV-QWHCGFSZSA-N 314.341 3.240 5 40 DGBB CSc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 27168420 UIDVNSMMBICEPO-SECBINFHSA-N 306.343 3.401 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc(CCNc3ccccc3)n[nH]2)cc1 62719432 BXGHLEOBHCDFGC-UHFFFAOYSA-N 309.329 3.035 5 40 DGBB C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cccs1 78148795 MFQGEEGZTLTQCK-JTQLQIEISA-N 302.355 3.349 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nccs1 97103733 UTQWELZNBCVGGT-SECBINFHSA-N 306.347 3.242 5 40 DGBB O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2CC[C@H]1C2 101375522 GQFTUQFEXSFCJZ-WPRPVWTQSA-N 314.263 3.238 5 40 DGBB O=C1NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 3117410 JXQAMMMVMMJMHJ-KPKJPENVSA-N 316.294 3.179 5 40 DGBB O=[N+]([O-])c1ccc(/C=C2\CCCC=C2N2CCOCC2)s1 3205426 OURXGHZJIMISBC-VAWYXSNFSA-N 306.387 3.440 5 40 DGBB Cc1ccc(C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] 3613072 REEOXHWZNCMJMD-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CCOC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 3913751 VLLMBXXMLLODTF-UHFFFAOYSA-N 314.341 3.426 5 40 DGBB O[C@@H](COc1ccccc1)C[N+]1(Cc2ccccc2)CCCC1 36640174 MHVBVESFRSZIPV-LJQANCHMSA-N 312.433 3.237 5 40 DGBB O=[N+]([O-])c1ccccc1OCCN1CCc2sccc2C1 51530909 UJYWEXMIANBKCR-UHFFFAOYSA-N 304.371 3.093 5 40 DGBB Cc1ccccc1OCCNC(=O)c1cccc([N+](=O)[O-])c1C 55954613 XWJBZGLFYZEKHZ-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB Cc1cc(N2CCc3ccccc3[C@H]2CN)c(F)cc1[N+](=O)[O-] 569577670 XGDHKXKHIXQDLZ-QGZVFWFLSA-N 315.348 3.105 5 40 DGBB Cc1ccnc(N[C@@H](CO)c2csc(C(C)C)n2)c1[N+](=O)[O-] 585142072 OEAZZRGQRJDFBY-JTQLQIEISA-N 322.390 3.024 5 40 DGBB O=[N+]([O-])c1ccc([C@@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1 4934872 XRBKXMOUFWSFIF-ZQIUZPCESA-N 304.390 3.140 5 40 DGBB Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ncc1[N+](=O)[O-] 110682040 CTWPYLBRQZVUNM-SMDDNHRTSA-N 319.386 3.326 5 40 DGBB O=[N+]([O-])c1ccnn1Cc1ncc(-c2cccc(Cl)c2)o1 47169822 RJVRBGZFWBZJCD-UHFFFAOYSA-N 304.693 3.148 5 40 DGBB Cc1c(NC(=O)N2CC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] 585120147 VEJUZRLVIJOBOD-SNVBAGLBSA-N 303.240 3.072 5 40 DGBB COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 245232249 RTMOHIUWLIAADG-QRFRQXIXSA-N 318.437 3.261 5 40 DGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+]1(C)CCCCC1 245232645 ZFFAWJGVDWLYCL-FCGDIQPGSA-N 312.518 3.455 5 40 DGBB biogenic C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 3333423 DTZSAHGJJCNDQK-VIFPVBQESA-N 321.720 3.049 5 40 DGBB C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCCCC1 247694059 YEBJFOUHZMECGW-ZJOUEHCJSA-N 310.526 3.043 5 40 DGBB biogenic,in-vitro CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2ccccc2n1 40509264 FKSTYFLHBGRBTJ-UHFFFAOYSA-N 321.336 3.415 5 40 DGBB CCCC[C@H](CC)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 6043136 SEAVORKRADDOQP-LBPRGKRZSA-N 314.407 3.090 5 40 DGBB CC(C)CCC[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 6906676 RNFPODJMFZDGSO-HOCLYGCPSA-N 324.421 3.139 5 40 DGBB Cc1c(C(N)=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 216947862 PJUXMHUGAYJLMG-UHFFFAOYSA-N 309.325 3.005 5 40 DGBB O=[N+]([O-])c1c(SC[C@@H](O)c2ccccc2)nc2ccccn12 52427101 VPVNGQLSIICYOJ-GFCCVEGCSA-N 315.354 3.068 5 40 DGBB CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 15141702 DGFPFSBVCKNLPG-UHFFFAOYSA-N 307.737 3.158 5 40 DGBB CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 74647968 DGWJJYZWLIOUFN-UHFFFAOYSA-N 318.398 3.293 5 40 DGBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CC(C)(C)C 96403396 XOPHJCSAEGWXMI-LBPRGKRZSA-N 305.378 3.339 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(F)cc1 314187421 YDYZGSBEEBSSEQ-UHFFFAOYSA-N 304.277 3.087 5 40 DGBB O=[N+]([O-])c1ccc(NCc2ccc(CO)c(F)c2)c(Cl)c1 53601968 OXGGXPASHFSJAA-UHFFFAOYSA-N 310.712 3.492 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 6392766 LHEASZHCSURYQV-UHFFFAOYSA-N 311.341 3.440 5 40 DGBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 6500866 MXTNVDLWMRIXCC-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 69533592 MORYWOJHBBOHPM-LBPRGKRZSA-N 313.313 3.060 5 40 DGBB CSc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] 9368395 YVEMZFKSXDLEAD-JTQLQIEISA-N 317.370 3.203 5 40 DGBB O=C(Cc1cccs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 89780822 FFKXZFVESNPWKB-UHFFFAOYSA-N 316.382 3.390 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 38755216 GQIUHHYAMODEAR-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](c2ccsc2)O1 96469377 WCIKHYPZXCCYBH-ZWNOBZJWSA-N 305.359 3.018 5 40 DGBB COC(=O)c1cccc(-n2cncc2-c2ccc([N+](=O)[O-])cc2)c1 585293968 CGMCAIHTWKLVMW-UHFFFAOYSA-N 323.308 3.234 5 40 DGBB C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 4074112 KRTATNOTKFNEFT-NNAGXBGRSA-N 309.433 3.169 5 40 DGBB COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F 3513145 JLJSTFBMWOXVGY-UHFFFAOYSA-N 319.288 3.408 5 40 DGBB CC(=O)Nc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 8308289 DEHRTPWYCYNILM-UHFFFAOYSA-N 317.330 3.006 5 40 DGBB C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 15696060 GXZNNKUCBFRKKD-SNVBAGLBSA-N 320.295 3.293 5 40 DGBB CCOc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 8308415 NUVBMKKKPNWXRM-UHFFFAOYSA-N 304.331 3.446 5 40 DGBB Cc1ccc(O)c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 96456856 JDXXJWOQDDLVSY-UHFFFAOYSA-N 301.346 3.029 5 40 DGBB O=[N+]([O-])c1cc2c(cc1NCCc1ccc(F)cc1)OCCO2 9220539 VLPHNDXYFGVWSZ-UHFFFAOYSA-N 318.304 3.160 5 40 DGBB O=C(CSCc1ccccc1[N+](=O)[O-])Nc1ccccc1 30835905 XMYPURCSIBPQQO-UHFFFAOYSA-N 302.355 3.467 5 40 DGBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccnc1 4676385 FLSSFOAPRVGXAT-UHFFFAOYSA-N 309.329 3.002 5 40 DGBB Nc1nc(-c2cccc(F)c2)cc(-c2cccc([N+](=O)[O-])c2)n1 71977559 NTHFNZLHJUQRDJ-UHFFFAOYSA-N 310.288 3.440 5 40 DGBB Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5065967 FLZZUYVNWWFFSG-UHFFFAOYSA-N 300.105 3.017 5 40 DGBB CCOc1cc(Br)c(/C=C/[N+](=O)[O-])cc1OC 6844659 WXEWUATZVZYSGS-SNAWJCMRSA-N 302.124 3.104 5 40 DGBB O=c1c2ccccc2nc2n1CC/C2=C\c1cccc([N+](=O)[O-])c1 4025325 XIQBVHOTWVNRBA-JLHYYAGUSA-N 319.320 3.249 5 40 DGBB biogenic COc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 72228712 RZNLJEPJQKRSKV-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F 559997 SBBYNNBGCYPSFV-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 4748124 HLZQHQRQJIRVDH-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB O=[N+]([O-])c1ccc(SCCCCCCO)c([N+](=O)[O-])c1 6321341 GQFAJWBLHKQPTL-UHFFFAOYSA-N 300.336 3.148 5 40 DGBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1O 6764399 WYOMBPVVHGPSNX-ONEGZZNKSA-N 310.693 3.429 5 40 DGBB COc1cccc(C=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8495710 QRQLCGZCASRAEM-UHFFFAOYSA-N 318.241 3.116 5 40 DGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccccc1 22887064 YZQFRLIHMQVLCY-MRXNPFEDSA-N 320.776 3.414 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)C1CC1 32843707 DUWVNGXFDYVOAC-UHFFFAOYSA-N 312.329 3.186 5 40 DGBB Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 3151015 UZSXNOWPVBPHDR-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB O=[N+]([O-])c1ccc(NCCc2cn3c(n2)CCCC3)c(Cl)c1 12520260 CRGCGRWDYQNNHT-UHFFFAOYSA-N 320.780 3.436 5 40 DGBB CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl 13040581 AFIMPOJEVQKSOV-AWEZNQCLSA-N 320.780 3.358 5 40 DGBB COCc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 24740877 LIHUSBQTNOABBW-UHFFFAOYSA-N 315.329 3.063 5 40 DGBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1 5109296 XWJPJELEYACSJF-CYBMUJFWSA-N 318.373 3.369 5 40 DGBB COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1nccs1 72662643 UPNADVCMXHSZHM-UHFFFAOYSA-N 307.375 3.085 5 40 DGBB O=[N+]([O-])c1cccc(CNc2nnc(-c3ccccn3)s2)c1 97137239 VFPPREZWWGFVRG-UHFFFAOYSA-N 313.342 3.120 5 40 DGBB Nc1nc2c(Cl)cc([N+](=O)[O-])c(N3CCCCC3)c2s1 45891359 KFDSIQOXPVRNQC-UHFFFAOYSA-N 312.782 3.430 5 40 DGBB Nc1nc(Oc2ccc(-c3ccccc3)cc2)ncc1[N+](=O)[O-] 78467280 YCNHTEWJYOZQMS-UHFFFAOYSA-N 308.297 3.426 5 40 DGBB O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc12 3154136 DEYAOOQSKREANY-UHFFFAOYSA-N 302.673 3.417 5 40 DGBB C[C@@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-] 8338171 HLACUBHXUZWGKX-VIFPVBQESA-N 306.347 3.330 5 40 DGBB O=c1[nH]c2c(I)cccc2c2ccccc12 16926705 UYYYWHSTBYMSGR-UHFFFAOYSA-N 321.117 3.286 5 40 DGBB COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 17160714 YGDVHZZZOGFPNF-RQOWECAXSA-N 316.269 3.388 5 40 DGBB CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH]1 95985920 QOIYYGWBFPVOTJ-UHFFFAOYSA-N 319.386 3.353 5 40 DGBB CCO[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 96432499 LNNFKSVXSZOPBB-CABCVRRESA-N 318.373 3.062 5 40 DGBB CC(C)[C@H](C)Sc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 97105120 ZHTOKVOEVSXDCC-VIFPVBQESA-N 303.405 3.135 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 5864308 ZMYQIFPFCXOGDB-ZDUSSCGKSA-N 314.341 3.021 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCO[C@H](c2ccccc2Cl)C1 69461090 NQPXSFVIFONSIR-AWEZNQCLSA-N 319.748 3.221 5 40 DGBB O=c1cc(-c2ccccc2F)nc(-c2ccc([N+](=O)[O-])cc2)o1 4850974 AGKIYZQCZJMHQV-UHFFFAOYSA-N 312.256 3.416 5 40 DGBB O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1c1ccc(Cl)cc1 16401230 YFMIRNNARLCMQO-UHFFFAOYSA-N 315.716 3.389 5 40 DGBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOC(C)(C)C1 97380040 QRZYHXFXZITYPG-GFCCVEGCSA-N 321.377 3.291 5 40 DGBB O=C(O)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nc1C(F)F 575441643 ROHPPBFMZYZPHZ-UHFFFAOYSA-N 317.635 3.070 5 40 DGBB Cc1nn(Cc2cc(-c3cccs3)on2)c(C)c1[N+](=O)[O-] 7645698 ILHMNAICDGVAMU-UHFFFAOYSA-N 304.331 3.173 5 40 DGBB Cc1cc(C(=O)NCC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] 11750025 BAGXVQVWZJFPDS-UHFFFAOYSA-N 310.353 3.365 5 40 DGBB O=[N+]([O-])c1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1 47354912 JKGHIVBAAZTTLM-UHFFFAOYSA-N 321.289 3.424 5 40 DGBB CSCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 134356060 OBTNYUKFTYNIEJ-VIFPVBQESA-N 316.810 3.462 5 40 DGBB Cc1c(Cl)c(Cn2cnc([N+](=O)[O-])c2)nc2ccccc12 26123353 AHXQSQLJRKMGOZ-UHFFFAOYSA-N 302.721 3.350 5 40 DGBB O=[N+]([O-])c1cccc(-c2cnc(CCN3CCCCC3)o2)c1 69455945 NMLOAUHUOGYXGG-UHFFFAOYSA-N 301.346 3.278 5 40 DGBB COC(=O)c1cc(Cl)c(N2CCC(C)CC2)c([N+](=O)[O-])c1 70462580 SSLFSPIGXPDHEN-UHFFFAOYSA-N 312.753 3.271 5 40 DGBB CCN(c1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 304852 CGFZSNBXMBKUQR-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1 5702906 HGLAOFQMJFBTAC-ZSOIEALJSA-N 312.256 3.078 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 38755217 GQIUHHYAMODEAR-GFCCVEGCSA-N 314.341 3.403 5 40 DGBB Cc1nc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 51316141 ADRUVAJFPUSJPE-UHFFFAOYSA-N 306.347 3.024 5 40 DGBB CC1(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)COC1 66522705 ILGIXADLTLZRLS-UHFFFAOYSA-N 307.327 3.003 5 40 DGBB Cc1nc2c(s1)[C@H](N(C)c1ncccc1[N+](=O)[O-])CCC2 69740559 KQHPXHLPNXCUDT-LLVKDONJSA-N 304.375 3.269 5 40 DGBB CSC(C)(C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 97010418 IYSBEZLKGDCOMC-SNVBAGLBSA-N 311.407 3.097 5 40 DGBB Cc1c(-c2nn3c(C(C)(C)C)nnc3s2)cccc1[N+](=O)[O-] 12843571 XQIWLUWLBWFZAF-UHFFFAOYSA-N 317.374 3.367 5 40 DGBB CCCn1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 96444529 MBJMODVJHPNOOO-UHFFFAOYSA-N 303.322 3.154 5 40 DGBB Cc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 17290123 XEAYPRQFBOQKSD-SOFGYWHQSA-N 307.309 3.310 5 40 DGBB Cc1cc2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])cc1 427895 DHVFNPMZHSNIQF-UHFFFAOYSA-N 323.352 3.288 5 40 DGBB O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3[C@H]4C=C[C@H]3[C@H]2C4)c([N+](=O)[O-])c1 102949651 PXIDSKRGSXBQGV-ZGWNKZGNSA-N 302.286 3.092 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC2)cs1 89643158 AZXAWOCCFVPDSG-UHFFFAOYSA-N 303.343 3.489 5 40 DGBB O=[N+]([O-])c1cccc(OCc2noc(-c3ccsc3)n2)c1 31676927 FJZJEFVBVWTTKJ-UHFFFAOYSA-N 303.299 3.285 5 40 DGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2081217 RDOMWQDHZUPZIO-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 2648349 VVVKQIDTXYRJIB-NSHDSACASA-N 300.314 3.346 5 40 DGBB C[N+]1([C@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc2C1 3953874 WEBVZKNMKCOTQL-SFHVURJKSA-N 307.417 3.232 5 40 DGBB in-vitro Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 5260140 XYVCGYRCTPSLBW-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12766416 QFNBXMICTMTRHQ-UHFFFAOYSA-N 314.341 3.093 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 14309249 WVULSWHSSGMZOI-LBPRGKRZSA-N 323.356 3.250 5 40 DGBB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 17970277 YVWYAAMBPUWXQF-LBPRGKRZSA-N 314.341 3.403 5 40 DGBB O=C(O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 20154009 OBQNOAKWPFSUIY-UHFFFAOYSA-N 312.075 3.316 5 40 DGBB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 55693198 IPFOXJUEEXEYMQ-ZDUSSCGKSA-N 314.341 3.101 5 40 DGBB Cc1cc(C(=O)Nc2ccnn2C2CCCC2)ccc1[N+](=O)[O-] 6588793 UCASMJGYUAJDGP-UHFFFAOYSA-N 314.345 3.467 5 40 DGBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 5971293 FVGGPPMYFOIOMT-VIFPVBQESA-N 321.720 3.049 5 40 DGBB COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)N(C(C)C)C(C)C 7827980 RUFHQOSVGQAERV-LBPRGKRZSA-N 324.377 3.016 5 40 DGBB C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 8172504 XPRIQTAAJIGAIA-SNVBAGLBSA-N 315.329 3.253 5 40 DGBB O=C1OC(Cc2ccccc2)=N/C1=C/c1cccc([N+](=O)[O-])c1 408838387 FACGLYJSQPOOEF-XNTDXEJSSA-N 308.293 3.134 5 40 DGBB O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 91963725 CTBAKLYHISPHLH-UHFFFAOYSA-N 322.118 3.005 5 40 DGBB CCc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC 530156 NEMKDLDSQXBEBW-UHFFFAOYSA-N 319.364 3.473 5 40 DGBB Cc1ccc(OCc2cc(Cl)c3c(c2)OCO3)c([N+](=O)[O-])n1 12725062 XTXFUVFKIMAKAT-UHFFFAOYSA-N 322.704 3.259 5 40 DGBB CN(C)c1cccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 4662586 AJHXAVLHZMOJPF-UHFFFAOYSA-N 302.290 3.313 5 40 DGBB CCCCN1C(=O)C(C)=C(C)[C@H]1Nc1ccc([N+](=O)[O-])cc1 9434918 WKLXGOHCOOVDOE-HNNXBMFYSA-N 303.362 3.312 5 40 DGBB CS[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 97370727 QSJCZKCMTCOEAQ-SSDOTTSWSA-N 303.771 3.121 5 40 DGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cc2ccccc2[nH]1 58903391 ZEVVNRHBWFYBCI-CMDGGOBGSA-N 321.336 3.406 5 40 DGBB O=C(NCCOc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 16009503 GTKZITJNBYJGMT-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB COc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)c1 258390 DJTQFGMSUJQPPR-UHFFFAOYSA-N 320.276 3.003 5 40 DGBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Cc1ccco1 4381574 FTTWIBPHZKRBSQ-UHFFFAOYSA-N 322.276 3.137 5 40 DGBB C[C@@]1(c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)CCC(=O)O1 6265943 WZCCHTSLMNOCIF-AWEZNQCLSA-N 319.342 3.347 5 40 DGBB CCN(CC)C(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 12522065 UWMKNGZFZRNTCN-UHFFFAOYSA-N 314.345 3.215 5 40 DGBB Cc1c(C(=O)NCCSc2ccccc2)cccc1[N+](=O)[O-] 15136561 PBIDILGSURROSZ-UHFFFAOYSA-N 316.382 3.425 5 40 DGBB Cc1noc(C)c1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C 43346371 HYAGEFCMXOTDPF-UHFFFAOYSA-N 318.333 3.172 5 40 DGBB O=C(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)N1CCCC1 69701654 VESQGKKAWWQJMG-UHFFFAOYSA-N 313.313 3.018 5 40 DGBB Cc1nc([N+](=O)[O-])c(NCC2(c3ccccc3)CCC2)n1C 103278270 ARWRQNRBYZXCEB-UHFFFAOYSA-N 300.362 3.171 5 40 DGBB Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 32738275 SJAHXYCNTFHRPC-NSHDSACASA-N 324.340 3.271 5 40 DGBB CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 35333628 LDLOQQVWVJIGCB-UHFFFAOYSA-N 308.515 3.187 5 40 DGBB Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 194214570 GRAYOZBEGXMBNS-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=[N+]([O-])c1ccc(Oc2ccc(C3=NCCN3)cc2)c(Cl)c1 349349 YBIHFHUNTPJNIM-UHFFFAOYSA-N 317.732 3.390 5 40 DGBB O=[N+]([O-])c1cccc(OCc2nc(-c3cccs3)no2)c1 25393970 XRNSXJGGVOTHEN-UHFFFAOYSA-N 303.299 3.285 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccnn3[C@H](C)C[C@H]2C)c1 96425039 FEZVRUURZBYCLR-VXGBXAGGSA-N 314.345 3.100 5 40 DGBB Cc1ccc(N2CCC(OC3CCOCC3)CC2)c([N+](=O)[O-])c1 96446550 QEXWFFYKFXBJJJ-UHFFFAOYSA-N 320.389 3.068 5 40 DGBB O=C(Oc1ccccc1[N+](=O)[O-])c1ccc(Br)o1 358733 ZJEZKDKCYQOCAA-UHFFFAOYSA-N 312.075 3.170 5 40 DGBB COc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1OC 1732591 SMSLSKQZTFKSHM-UHFFFAOYSA-N 317.301 3.256 5 40 DGBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])s1 6507823 OUJMDVMXEZUENQ-GFCCVEGCSA-N 302.355 3.464 5 40 DGBB O=C1COc2ccc(Cl)cc2N1Cc1ccccc1[N+](=O)[O-] 408606828 QTORNMXXJIMXOA-UHFFFAOYSA-N 318.716 3.174 5 40 DGBB C[C@H](c1ccccc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] 97080936 DXRRRQHMPZMNBS-LLVKDONJSA-N 300.318 3.215 5 40 DGBB CC(=O)Oc1c([N+](=O)[O-])cc(-c2ccccc2)cc1[N+](=O)[O-] 1621475 YOBYXFWCMYJNKS-UHFFFAOYSA-N 302.242 3.095 5 40 DGBB Cc1noc(C)c1[C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1 60337053 KNDCMJZLQNVCCA-SECBINFHSA-N 304.302 3.047 5 40 DGBB CS(=O)(=O)c1ccccc1Sc1sccc1[N+](=O)[O-] 95986651 HUKUYSBVTPCUPV-UHFFFAOYSA-N 315.397 3.211 5 40 DGBB O=c1c2ccccc2c2ccccc2c(=O)n1Nc1ccccc1 1719572 XMDPDSCCCGQQTE-UHFFFAOYSA-N 314.344 3.390 5 40 DGBB C[C@H](Oc1ccc(N(C)C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 75104962 UFVNROYGDXCEML-NSHDSACASA-N 315.329 3.250 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)C1CC1 32796201 AEJYQJXGVQQEGQ-UHFFFAOYSA-N 302.355 3.461 5 40 DGBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 5109334 QILLIMHLQIFCKY-SNVBAGLBSA-N 304.277 3.140 5 40 DGBB Cc1cccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)c1[N+](=O)[O-] 28985063 SUUWDSSLWCIXKS-UHFFFAOYSA-N 324.340 3.052 5 40 DGBB Cc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3148362 XEPIARCDWAETPH-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB CCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 32722055 DIYURIHCQFEVHV-UHFFFAOYSA-N 314.297 3.138 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 48274228 NKTAWLATXWPPAK-CYBMUJFWSA-N 309.797 3.313 5 40 DGBB O=C(Nc1cccnc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 97165919 NEWMLQDBLYUHGZ-UHFFFAOYSA-N 315.332 3.329 5 40 DGBB C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999143 CRMIAKJHRMCHHN-DCDXPUDHSA-N 302.374 3.078 5 40 DGBB COC(=O)c1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 225208624 KDWOQXZXIKYKRG-UHFFFAOYSA-N 314.297 3.328 5 40 DGBB Cc1cc(C)c(NC(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 4459942 XUSMONVAIKRIBM-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](c2ccncn2)C1 71808733 PUWHBTOFHYZDLU-LLVKDONJSA-N 318.764 3.422 5 40 DGBB Cc1cccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 225989713 YVYNZISSKQLFDX-UHFFFAOYSA-N 310.353 3.251 5 40 DGBB O=C(COC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 268254 XUSROAJGIMIJDL-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)o2)cc1 1378660 FXEKHRUHEDXKBV-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 2801435 UMDYWRZDKRDEJP-UHFFFAOYSA-N 304.277 3.385 5 40 DGBB O=C(Nc1cc(F)ccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 7968404 IISPCOVVYYASCA-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB Cc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9062426 VWZLQKGRVPWMHF-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 13939122 YYSFQFUMBPAKBM-UHFFFAOYSA-N 314.407 3.088 5 40 DGBB CC(C)CC(=O)Nc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 24749361 IKDRLUSZOFJPEW-UHFFFAOYSA-N 317.349 3.057 5 40 DGBB COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1O 194993021 QYWOFTOUCDYJNG-UHFFFAOYSA-N 316.357 3.334 5 40 DGBB C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc([N+](=O)[O-])cc1 7521953 HLRDVYDILJGWFR-QWRGUYRKSA-N 308.407 3.059 5 40 DGBB CC(=O)Oc1cn(C2CC2)c2nc(C)n3c4ccccc4nc3c12 8656571 BADZDHLCIMJEGZ-UHFFFAOYSA-N 320.352 3.406 5 40 DGBB Cc1c(NC(=S)NCc2ccccc2)cccc1[N+](=O)[O-] 6329665 UBLVXNOOXNYIGI-UHFFFAOYSA-N 301.371 3.390 5 40 DGBB NC(=O)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 6510404 HQBBKFQGVHRHLT-UHFFFAOYSA-N 319.748 3.002 5 40 DGBB Cc1ccc(CN2CCc3nc[nH]c3C23CCC3)cc1[N+](=O)[O-] 585116943 MXMASMGIQUEBKK-UHFFFAOYSA-N 312.373 3.064 5 40 DGBB COc1ccc(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 3567152 LBJREXJGEGXSRJ-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=[N+]([O-])c1ccc(NCc2cscn2)cc1OC(F)F 84350672 UNCIDDXCBCLSFN-UHFFFAOYSA-N 301.274 3.265 5 40 DGBB O=C(NCCCn1ccc2ccccc21)c1ccccc1[N+](=O)[O-] 12556259 PVCBNHDFMCANIO-UHFFFAOYSA-N 323.352 3.370 5 40 DGBB CCO[C@H](C)c1nccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 97142138 NYYZLBBBWNXDFX-SNVBAGLBSA-N 316.317 3.078 5 40 DGBB COc1nc(F)c(F)c(Oc2ccccc2[N+](=O)[O-])c1F 5024161 PQHBHMKBJNKMGQ-UHFFFAOYSA-N 300.192 3.208 5 40 DGBB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1ccc([N+](=O)[O-])cc1 585079494 HGOSBXMDQBKLDZ-FPMFFAJLSA-N 317.341 3.147 5 40 DGBB CCOC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 23606424 WUAUJMLNHJTQBL-UHFFFAOYSA-N 303.274 3.351 5 40 DGBB C[C@@H](C1CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 32907033 PBJILSNIRKMWRJ-LBPRGKRZSA-N 317.389 3.066 5 40 DGBB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1O 89540997 DYFYQZFFFGDEQR-NTZNESFSSA-N 322.361 3.223 5 40 DGBB Cc1cc(NC(=O)c2ncoc2C)c2cc([N+](=O)[O-])ccc2n1 97142409 ZEVPQWGKOSEFNY-UHFFFAOYSA-N 312.285 3.000 5 40 DGBB O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3670029 JYLPTNIAOYPVOY-UHFFFAOYSA-N 312.237 3.276 5 40 DGBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 25056173 KHOPWWRQHNVJID-UHFFFAOYSA-N 313.338 3.481 5 40 DGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1F 54216502 MIFBJPAYGIRIRF-VIFPVBQESA-N 322.267 3.279 5 40 DGBB CC(=O)c1c(C(C)=O)c(C)n(-c2ccccc2[N+](=O)[O-])c1C 95470290 OLLVJNDRTKTLLD-UHFFFAOYSA-N 300.314 3.408 5 40 DGBB O=C(NCCOc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 159514055 OHISRIJLVAOHEK-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB CC(=O)c1ccc(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1562038 WSRFUTFFURTAEE-UHFFFAOYSA-N 300.270 3.296 5 40 DGBB C[C@]12CC[C@H](C[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 4829349 MVTPHFKACRPZAF-ZDBHGNHJSA-N 320.301 3.239 5 40 DGBB O=[N+]([O-])c1ccc(NCc2cccc3c2OCO3)c2ncccc12 58065795 YCFJBBZCXAXWCD-UHFFFAOYSA-N 323.308 3.484 5 40 DGBB COc1cc(F)ccc1N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] 97227661 UKYLNQLCKRVIHN-UHFFFAOYSA-N 322.267 3.158 5 40 DGBB C/C=C1\C[N@@+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3[nH]c2ccccc12 252461120 KRTATNOTKFNEFT-BNUKNJFWSA-N 309.433 3.169 5 40 DGBB biogenic CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 358278 AHABQJDNQDDOMO-UHFFFAOYSA-N 305.337 3.301 5 40 DGBB CC[N+](C)(CC)[C@H]1[C@H](S(=O)(=O)c2ccccc2)CC1(C)C 1584608 BFGPCGWIISNUOO-CVEARBPZSA-N 310.483 3.114 5 40 DGBB CC1(c2ccc([N+](=O)[O-])cc2)OCC2(CO1)C[C@H]1C=C[C@@H]2C1 3852129 XMTROAFAWPRERU-HBHUPWBGSA-N 301.342 3.397 5 40 DGBB Cc1cc([N+](=O)[O-])c(NC2(C(=O)O)CCCCC2)c([N+](=O)[O-])c1 4054560 STLWQKPVDLVAND-UHFFFAOYSA-N 323.305 3.011 5 40 DGBB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 8215310 STLIXZKKYPPGCQ-NSHDSACASA-N 316.313 3.015 5 40 DGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2ccccc2)CC1 12980555 GGGMCKBTRXYXTE-UHFFFAOYSA-N 300.314 3.208 5 40 DGBB O=[N+]([O-])c1ccc(Sc2nnc(NC3CC3)s2)c(F)c1 42096844 KGFNLECSGGLJFY-UHFFFAOYSA-N 312.351 3.311 5 40 DGBB CC(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 71899469 BAQPWHBTCYSBPT-UHFFFAOYSA-N 305.378 3.044 5 40 DGBB Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1[N+](=O)[O-] 102957196 BIZXMRGKBNBOEZ-KYEXWDHISA-N 302.374 3.458 5 40 DGBB Cc1cc(F)ccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 107603739 LGLXPHMBYPVXKM-UHFFFAOYSA-N 317.272 3.082 5 40 DGBB C[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 1305907 AFGDQXJPXOHZNF-DHHCDUQHSA-N 308.445 3.409 5 40 DGBB O=C(Nc1c(Cl)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 5002698 DTNABIRJVUADBV-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)s2)cc1 16089692 FRUXRUGYUGQLDK-UHFFFAOYSA-N 319.747 3.077 5 40 DGBB Cc1c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cccc1[N+](=O)[O-] 102186755 QWBNFGIYGCHIFV-UKTARXLSSA-N 302.374 3.458 5 40 DGBB Cc1nn(C)c(C)c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 130852688 IFMHOWVUCJBSFZ-UHFFFAOYSA-N 314.389 3.110 5 40 DGBB CC(=O)c1ccc(N2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 276045496 PXKGBFIJNDYINV-QGZVFWFLSA-N 318.373 3.193 5 40 DGBB O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2741747 CJEBWEYQMDIDDL-UHFFFAOYSA-N 323.211 3.034 5 40 DGBB CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 10237337 NDPPMBKASXYIHW-UHFFFAOYSA-N 310.313 3.217 5 40 DGBB Cc1cc(F)cc(C(=O)NCCCOC2CCCC2)c1[N+](=O)[O-] 89587347 SSMNYERQABYVTL-UHFFFAOYSA-N 324.352 3.121 5 40 DGBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 4078825 QIQLBNLVCDJTJV-FNORWQNLSA-N 314.366 3.254 5 40 DGBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 5025412 FJNCVXDXOHNGKD-MRVPVSSYSA-N 320.328 3.060 5 40 DGBB Cc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 13671576 IMBIJKAWTATTFA-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1 17841801 HIGKRPPESXEVKW-AWEZNQCLSA-N 314.341 3.490 5 40 DGBB CC(C)c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1 54202685 ZOUGIOMRHRFQEB-UHFFFAOYSA-N 319.342 3.131 5 40 DGBB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 69816313 DPEFHKUTRBBFMB-UHFFFAOYSA-N 320.736 3.409 5 40 DGBB COc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 119081 UTXQZHBHTLJUPV-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB CSc1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] 3553893 KWOMNYUDFDYOAO-UHFFFAOYSA-N 308.384 3.308 5 40 DGBB O=c1oc2cc(Oc3ncccc3[N+](=O)[O-])ccc2c2c1CCC2 6604737 IGCWCSNDDYSHSC-UHFFFAOYSA-N 324.292 3.377 5 40 DGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1F 9118892 FSNYHEASUZTIQQ-UHFFFAOYSA-N 323.711 3.438 5 40 DGBB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc([N+](=O)[O-])cc1 16607835 YYOXJAXRJYYQII-MRXNPFEDSA-N 309.325 3.176 5 40 DGBB CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)C1CCCC1 19934377 UYGMQYZTNLTWAT-UHFFFAOYSA-N 308.403 3.229 5 40 DGBB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 55694365 PPETZAUVMSZYNY-CYBMUJFWSA-N 314.341 3.101 5 40 DGBB CC(=O)c1ccccc1C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 73101275 XUAFJHSALTUWJT-UHFFFAOYSA-N 312.325 3.070 5 40 DGBB Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1C(=O)N(C)C 96427562 SMIHSZFVAPCQFQ-UHFFFAOYSA-N 313.357 3.217 5 40 DGBB CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 224690848 AORDFNKRZRDGIS-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB COc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 44902857 FYTOKTRHUJXNNL-LLVKDONJSA-N 300.314 3.094 5 40 DGBB COc1ccc(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F 3523100 NDCUKNXSIFNTNZ-UHFFFAOYSA-N 319.288 3.408 5 40 DGBB C[C@H]1CCCC[C@@H]1OCCNc1nc2ccccn2c1[N+](=O)[O-] 84692101 NZIWLIPPVQTWBB-STQMWFEESA-N 318.377 3.250 5 40 DGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1Cl 340121 VAAHCJXFGDFFQW-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])o1 42038427 LEXBGXIIDQMGQI-UHFFFAOYSA-N 300.314 3.040 5 40 DGBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccco1 27686 RKVLTVCHYJZUNE-XFFZJAGNSA-N 318.672 3.186 5 40 DGBB Cc1cccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 70807 MDVRSOBDEIVGJP-XNTDXEJSSA-N 308.293 3.248 5 40 DGBB CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCc2ccccc21 29147949 RQJLVFHWOFLEMB-AWEZNQCLSA-N 308.341 3.366 5 40 DGBB CCCCN1C(=O)S/C(=C\Nc2cccc([N+](=O)[O-])c2)C1=O 36636211 SAOFPVXAMNESAR-XFXZXTDPSA-N 321.358 3.344 5 40 DGBB Cc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225069031 XBNBTAUPGVHTSD-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB Cc1ccc2oc(=O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 226037046 NJBIQPMXMWXGAJ-UHFFFAOYSA-N 324.292 3.262 5 40 DGBB COc1cc(OC)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 562869 DJLJXXHRUSXLMO-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 1847191 UCHHINRLZIPWBM-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB O=c1oc(/C=C/c2ccc([N+](=O)[O-])s2)nc2ccccc12 3901225 VYRCFJLNSPMBBR-FNORWQNLSA-N 300.295 3.328 5 40 DGBB CCCN(Cc1ccc(C)cc1)C(=O)c1cc([N+](=O)[O-])cn1C 26414444 DJOUFTWDUUPVSR-UHFFFAOYSA-N 315.373 3.294 5 40 DGBB CC(=O)c1ccc(N(C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 29524296 ZBZOFJXUUZXTBO-UHFFFAOYSA-N 319.748 3.482 5 40 DGBB O=[N+]([O-])c1ccc(CCNc2nccc(C(F)(F)F)n2)cc1 53578155 SMLLCMIADGQJCW-UHFFFAOYSA-N 312.251 3.058 5 40 DGBB CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1Br 63110837 QCEYECJOGUOZMN-UHFFFAOYSA-N 313.107 3.015 5 40 DGBB Cc1csc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)n1 71909348 BQCVUZJVYUPQTG-UHFFFAOYSA-N 305.359 3.025 5 40 DGBB CN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 5532199 ZHADVAKVBGAQPS-UHFFFAOYSA-N 323.352 3.083 5 40 DGBB CCCc1cc(=O)[nH]c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 7062383 HGGSRPNXHWCXKM-JTQLQIEISA-N 319.386 3.484 5 40 DGBB O=C1COc2ccc(Cl)cc2N1Cc1ccc([N+](=O)[O-])cc1 19991754 CZVIPFLALAMIOD-UHFFFAOYSA-N 318.716 3.174 5 40 DGBB O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 4207423 YBTSLPDFKYBZHZ-UHFFFAOYSA-N 323.308 3.075 5 40 DGBB O=C(NCC1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 32889630 OOLAWZBRWQPFMG-UHFFFAOYSA-N 311.341 3.448 5 40 DGBB Cc1cccc(NCCc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)c1 62719200 XOGLIAAMYVSJIP-UHFFFAOYSA-N 323.356 3.343 5 40 DGBB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 71857390 NUTOLWGTDPSWAI-ZETCQYMHSA-N 307.281 3.081 5 40 DGBB O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1[C@H]1C[C@@H]2CC[C@@H]1C2 100552672 PJGLHLDSXDQZDA-XYJYNPGVSA-N 318.398 3.357 5 40 DGBB Cc1cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n[nH]1 255190507 XQHYLYSPLSUTAU-UHFFFAOYSA-N 301.331 3.493 5 40 DGBB O=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 20140786 QADGTCGTHKGVAS-UHFFFAOYSA-N 320.688 3.199 5 40 DGBB Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 8175031 DTZBRASVBVYRBB-UHFFFAOYSA-N 313.357 3.054 5 40 DGBB O=C(/C=C/c1cccs1)OCC(=O)c1ccc([N+](=O)[O-])cc1 567684 NGTYZXUZNXEYJR-BQYQJAHWSA-N 317.322 3.096 5 40 DGBB C[N+]1(CCC[N+]2(C)CCC3(CCCCC3)CC2)CCOCC1 1603883 HGJQIQXGGUADPN-UHFFFAOYSA-N 310.526 3.044 5 40 DGBB Cc1nn(CC(=O)Nc2ccc3ccccc3c2)c(C)c1[N+](=O)[O-] 2634390 PIPNPYQROOSJPY-UHFFFAOYSA-N 324.340 3.200 5 40 DGBB O=[N+]([O-])c1ccc(C[N+]2(Cc3ccccc3)CCOCC2)cc1 28628938 FMFCDSARVWSBKF-UHFFFAOYSA-N 313.377 3.142 5 40 DGBB O=C(Sc1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])cc1 408534118 UWGMSTBHYQUVPG-UHFFFAOYSA-N 317.282 3.170 5 40 DGBB CCCO[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 78671102 CHNWLSRCBUMYIY-HNNXBMFYSA-N 306.362 3.016 5 40 DGBB Cc1c(C(=O)n2cc(C(=O)O)c3ccccc32)cccc1[N+](=O)[O-] 216960415 MNXPHPVNTODPHI-UHFFFAOYSA-N 324.292 3.245 5 40 DGBB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 328371 YUHMAFHXSRDRMX-UHFFFAOYSA-N 314.407 3.088 5 40 DGBB CCOC(=O)[C@@H]1Nc2ccc3cc4ccccc4cc3c2[C@@H]1O 3844869 BGJKGDOANYUTPX-MSOLQXFVSA-N 307.349 3.384 5 40 DGBB biogenic COc1c(C)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 9141725 WTQONVTVWDXLGW-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 9578119 OLUNJGNCCLEZPR-MRXNPFEDSA-N 310.353 3.331 5 40 DGBB O=[N+]([O-])c1cnn(Cc2csc(-c3ccccc3F)n2)c1 69454733 AFGAVFRKDBVEMK-UHFFFAOYSA-N 304.306 3.102 5 40 DGBB O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2cnccc12 76082700 CPZIEXBEULLUAV-UHFFFAOYSA-N 307.309 3.324 5 40 DGBB Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1[N+](=O)[O-] 4013428 DGAASIGDRADXEK-UHFFFAOYSA-N 315.245 3.091 5 40 DGBB O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 13549069 JXQAMMMVMMJMHJ-GHXNOFRVSA-N 316.294 3.179 5 40 DGBB C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccs1 55007394 HJUMWZYDAIQNDI-LLVKDONJSA-N 320.370 3.303 5 40 DGBB Cc1ccc(NCCc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 62719219 KUISQFOOEKJQON-UHFFFAOYSA-N 323.356 3.343 5 40 DGBB C[N@+]12CCCC[C@@H]1[C@H](COCC(=O)Oc1ccccc1)CCC2 247692073 WWQWQFSJWQNUDV-ILZDJORESA-N 318.437 3.018 5 40 DGBB biogenic,in-vitro CC(C)=CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6989121 IJBTYWLFTALHEW-SNVBAGLBSA-N 317.301 3.215 5 40 DGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C/C=C/c1ccccc1 9154887 LMBXKNPSHSIZRL-QPJJXVBHSA-N 307.309 3.018 5 40 DGBB Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1N(C)C 24818128 BYXUMKXGZCHXIL-UHFFFAOYSA-N 313.357 3.150 5 40 DGBB O=[N+]([O-])c1ccn(-c2ncnc3sc(-c4ccccc4)cc23)n1 48374403 LXFFYQXEQDAEIN-UHFFFAOYSA-N 323.337 3.452 5 40 DGBB O=[N+]([O-])c1cccc(Oc2nnc(Br)s2)c1 72190668 KFBGPQSOZCOQGY-UHFFFAOYSA-N 302.109 3.001 5 40 DGBB C[C@H]1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 75582038 MYMYWNCXQIYJSI-NSHDSACASA-N 300.314 3.337 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn1Cc1cccnc1 95396420 QCCNWKNQJVZVBQ-UHFFFAOYSA-N 322.324 3.092 5 40 DGBB COc1ccc(CNc2ccnn2CC(C)C)cc1[N+](=O)[O-] 95418558 WOIPQFWUALZKHH-UHFFFAOYSA-N 304.350 3.068 5 40 DGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 6471304 FAIOICMZUMKERA-UHFFFAOYSA-N 317.248 3.322 5 40 DGBB CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1N(CC)CC 15083926 ZGOFJOUUDXQRSO-UHFFFAOYSA-N 307.394 3.359 5 40 DGBB CCc1nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1C 225897017 CEURPWCSQOKLAZ-UHFFFAOYSA-N 324.340 3.296 5 40 DGBB Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(N)=O 6509409 BUVNILGZVLNYDL-UHFFFAOYSA-N 307.309 3.217 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nnc(N3CCCC3)s2)cc1 52911798 RYARJPZBSYYKTM-UHFFFAOYSA-N 322.415 3.339 5 40 DGBB O=[N+]([O-])c1ccc2nc(NCCc3nccs3)sc2c1 66465670 JMXRERPZXWUTBS-UHFFFAOYSA-N 306.372 3.316 5 40 DGBB O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(O)cc1 95416441 DTHHZWFHWMJNBP-UHFFFAOYSA-N 324.134 3.070 5 40 DGBB COCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC 224399795 HPCJHODBDLFVEK-UHFFFAOYSA-N 316.313 3.002 5 40 DGBB C[C@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc([N+](=O)[O-])cc1 16190898 HLRDVYDILJGWFR-PHIMTYICSA-N 308.407 3.059 5 40 DGBB Cc1ccc(NC2CCN(C(=O)OC(C)C)CC2)c([N+](=O)[O-])c1 80638900 VSVOREACOAVQAZ-UHFFFAOYSA-N 321.377 3.325 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)C(F)(F)O[C@@](F)(C(F)(F)F)O2 91252479 IEXPAKCUULBXMM-SECBINFHSA-N 303.114 3.239 5 40 DGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2ccccn12 8848757 HPQUFKADMBONQG-VIFPVBQESA-N 317.736 3.464 5 40 DGBB O=[N+]([O-])c1ccc(C2N3CCCC[C@@H]3[C@H]3CCCCN23)cc1 19328936 LRKQAQJZDSNPOL-HZPDHXFCSA-N 301.390 3.316 5 40 DGBB CN(C)c1ccc2cc3ccc(N(C)C)c(C=O)c3nc2c1C=O 3880975 VXMXLZHNUAJQSM-UHFFFAOYSA-N 321.380 3.145 5 40 DGBB biogenic COc1cccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)c1 102858392 HXCLHWHUFDVIHX-SAPNQHFASA-N 312.281 3.288 5 40 DGBB Cc1c(C(=O)OCC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 3444487 WXPXBGKKOFTARW-UHFFFAOYSA-N 317.272 3.082 5 40 DGBB O=[N+]([O-])c1c(Nc2ccc(O)cc2)cc(Cl)c2nonc12 4812673 OBXCWWZWQQDMOY-UHFFFAOYSA-N 306.665 3.234 5 40 DGBB Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 32925985 MHPVHPUJAASBKH-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB CS(=O)(=O)c1ccc(Sc2cccs2)c([N+](=O)[O-])c1 69656746 PXABGUGJDXKQIA-UHFFFAOYSA-N 315.397 3.211 5 40 DGBB CNc1ccc(CN[C@H]2CCCc3occc32)cc1[N+](=O)[O-] 89396007 SCUXFVBMSSNHSD-ZDUSSCGKSA-N 301.346 3.397 5 40 DGBB CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 71817203 ABPVPJIGTMNXFF-UHFFFAOYSA-N 317.389 3.067 5 40 DGBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(F)c3)oc12 73641872 ZZCYGYWVXOICPL-UHFFFAOYSA-N 302.217 3.240 5 40 DGBB CCOC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 252508259 XIKLLXXGXFAILF-UHFFFAOYSA-N 312.325 3.466 5 40 DGBB COc1ccccc1/C=C/C(=O)OCc1cccc([N+](=O)[O-])c1 3254943 GDCGYSDKMYRMCU-MDZDMXLPSA-N 313.309 3.360 5 40 DGBB CN(N=O)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])Cc1ccccc1-2 5052905 UZBPFJAWUFEYOM-UHFFFAOYSA-N 314.257 3.192 5 40 DGBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 5537138 MIHWOANHJRFDLC-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1cccc(C)c1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20481550 NVWIUZFQZFICJY-UHFFFAOYSA-N 320.370 3.154 5 40 DGBB O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3s2)nc1 30587687 WNIVEWBTGTVUCM-UHFFFAOYSA-N 315.358 3.124 5 40 DGBB Cc1noc(C)c1CN(C)Cc1ccc([N+](=O)[O-])cc1Cl 97082777 YNXUAGTYEOIFTN-UHFFFAOYSA-N 309.753 3.485 5 40 DGBB O=C(O)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)cc1O 216932871 UNFYIVNZVJHGOS-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cn1cccn1 47405154 MKNLNRAOGKNAHM-LBPRGKRZSA-N 311.345 3.088 5 40 DGBB Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 68989 CITCJWUSRZYWMK-UHFFFAOYSA-N 300.314 3.229 5 40 DGBB C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 28063588 DPYCILUQEVSQAK-LLVKDONJSA-N 324.340 3.005 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 4540159 SQBITNZTVHJHOZ-UHFFFAOYSA-N 314.297 3.008 5 40 DGBB CC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 16695541 CSRYRJDUROFNJW-CQSZACIVSA-N 306.362 3.226 5 40 DGBB C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] 97080935 DXRRRQHMPZMNBS-NSHDSACASA-N 300.318 3.215 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc(CNc3ccc(F)cc3)n[nH]2)cc1 40174559 ZRBSQQPJSHYUHR-UHFFFAOYSA-N 313.292 3.131 5 40 DGBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 66547065 NPUPOEAYJOHOJW-NSHDSACASA-N 304.346 3.150 5 40 DGBB Cc1ccccc1C1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 4696545 ZQYJYNAFTMBJSQ-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB Cc1ccccc1Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O 5400579 ILOIKCBXTWBNJS-UHFFFAOYSA-N 321.336 3.175 5 40 DGBB C[C@H]1CN(C(=O)c2cccc3nc4ccccc4nc23)C[C@H](C)O1 76494949 USDMCIKXMRWQOU-STQMWFEESA-N 321.380 3.032 5 40 DGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 6125207 TUZHRZBDJDHQHY-SECBINFHSA-N 305.721 3.134 5 40 DGBB O=C(COc1ccc([N+](=O)[O-])cc1)N(C1=CCCCC1)C1CC1 7339212 WMFFUCRSBBMBEC-UHFFFAOYSA-N 316.357 3.423 5 40 DGBB CCNc1ccc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] 9379221 JTTWCOAEXPEQER-UHFFFAOYSA-N 305.378 3.337 5 40 DGBB O=C(Nc1cc(Nc2ncccc2[N+](=O)[O-])ccc1F)C1CC1 12537979 PEPRQBSHALIEOB-UHFFFAOYSA-N 316.292 3.221 5 40 DGBB Cc1nn(C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 71904215 WAVXIMUHQRRNDB-SNVBAGLBSA-N 311.345 3.358 5 40 DGBB O=c1[nH]c(-c2ccc([N+](=O)[O-])o2)nc2sc3c(c12)CCCC3 262538 VSJRTAVENJEITE-UHFFFAOYSA-N 317.326 3.032 5 40 DGBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nc(-c2cccs2)no1 8782448 SEIDYQHFMXZOLP-QMMMGPOBSA-N 319.346 3.015 5 40 DGBB CN(C)C(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1F 84494988 OYBBECFYOZQJNS-UHFFFAOYSA-N 323.349 3.109 5 40 DGBB COc1ccc2nc(Sc3ccc([N+](=O)[O-])cn3)[nH]c2c1 91302229 LGUNZSHDEHFQMM-UHFFFAOYSA-N 302.315 3.026 5 40 DGBB C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]21 95416824 ACHGEMTVKBYDCJ-TYNCELHUSA-N 303.362 3.031 5 40 DGBB Cn1c(SC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 408650552 FUETYVKWZJIPRU-UHFFFAOYSA-N 313.338 3.414 5 40 DGBB O=C(NCC1(c2ccccc2)CCC1)c1ccccc1[N+](=O)[O-] 10221917 JUKSEAWPOXSPDP-UHFFFAOYSA-N 310.353 3.447 5 40 DGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1ccccc1 16228003 OOPPCCGSRYGYRI-LBPRGKRZSA-N 313.357 3.170 5 40 DGBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccccn3)n2)ccc1Cl 40169654 ZZRMZWWXVXCXLC-UHFFFAOYSA-N 301.693 3.095 5 40 DGBB COc1ccc(CCCNc2ncccc2[N+](=O)[O-])cc1OC 58440951 SALKIVICHQZCBA-UHFFFAOYSA-N 317.345 3.052 5 40 DGBB Cc1sc(C(=O)Nc2[nH]nc(C3CC3)c2C)cc1[N+](=O)[O-] 64346969 BGPZTWLUMJTHCQ-UHFFFAOYSA-N 306.347 3.126 5 40 DGBB CCc1cc(C(=O)NC2CCCCC2)c(OC)c([N+](=O)[O-])c1 72206613 WHJYMVUWNPPPGI-UHFFFAOYSA-N 306.362 3.228 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC(CN2CCCCCC2)CC1 76721050 ZMNBQQUYINWZPP-UHFFFAOYSA-N 318.421 3.082 5 40 DGBB O=[N+]([O-])c1ccc(COc2ccccc2-c2nc[nH]n2)c(F)c1 89821231 YJMVDDPEWQEWNC-UHFFFAOYSA-N 314.276 3.098 5 40 DGBB Cc1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1C 223373531 HGDVAHAALRRJAX-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB COc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 7781311 UUEQUMFWLAFMJF-UHFFFAOYSA-N 311.297 3.244 5 40 DGBB CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 20448528 RTMFJSBWASULJA-SNVBAGLBSA-N 304.302 3.078 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC(COc3ccccc3)CC2)nc1 54981376 PAQXVWDWGOZSJC-UHFFFAOYSA-N 313.357 3.285 5 40 DGBB Cc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O1 97987601 YXBISYPHPDJIOQ-GXDHUFHOSA-N 308.293 3.248 5 40 DGBB CC(C)(C)c1ccc(NC(=O)C2CCOCC2)cc1[N+](=O)[O-] 252506977 WEOSMPGVJNXUFX-UHFFFAOYSA-N 306.362 3.257 5 40 DGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 5011074 SXZJVZUGVRAYHX-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB O=[N+]([O-])c1ccc(NCCNc2ncnc3sccc23)cc1 7366467 IEPBNEOHVXRVOM-UHFFFAOYSA-N 315.358 3.124 5 40 DGBB CCc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 994358 KJTGMSLADSDBTR-UHFFFAOYSA-N 300.314 3.418 5 40 DGBB Cc1cc(N[C@@H](C)c2cccc(-n3cncn3)c2)ncc1[N+](=O)[O-] 78985371 XOHNURHJEWOFBH-LBPRGKRZSA-N 324.344 3.052 5 40 DGBB O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 2550168 ZRCVVISKLQWUKS-UHFFFAOYSA-N 311.219 3.261 5 40 DGBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 3511537 QWUBXNXSFTZYOL-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1Cl 4141641 SCSQSQWEZRSGTP-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 7053252 BJDRQXXXSSUHTB-UHFFFAOYSA-N 318.763 3.111 5 40 DGBB Cc1c(C(=O)Nc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] 226273639 IOKSJMUXWXDQDS-LLVKDONJSA-N 300.314 3.209 5 40 DGBB CC[C@@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 96416627 VBDNFEMYCAGCCX-OAHLLOKOSA-N 319.386 3.035 5 40 DGBB Cc1cccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)c1 1021179 SHYBSAXYSYPMNL-UVTDQMKNSA-N 308.293 3.248 5 40 DGBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1 160345182 ATVVAGAGHADWFU-UHFFFAOYSA-N 323.761 3.374 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])c1nccc(C(F)(F)F)n1 25495669 GMOGKHAEMDWRQC-UHFFFAOYSA-N 312.251 3.040 5 40 DGBB Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2741874 OKLHNTZKAWMMJO-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB CCn1cc(Cl)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 2804951 BDBRMWINGFKOCH-UHFFFAOYSA-N 319.708 3.182 5 40 DGBB CCCN(CCC)CCc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 62719543 KGAVBSQYZIJKCT-UHFFFAOYSA-N 317.393 3.044 5 40 DGBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nc(-c2cccs2)no1 8782447 SEIDYQHFMXZOLP-MRVPVSSYSA-N 319.346 3.015 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cccc3)C2)c([N+](=O)[O-])c1 5594460 ZKTPKNGKGMKHPU-CYBMUJFWSA-N 316.317 3.146 5 40 DGBB O=C(Nc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31206208 FNBZITBQPBEZLZ-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 526693 RTMOHIUWLIAADG-PGBVBIMESA-N 318.437 3.261 5 40 DGBB O=C(NC1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 13140876 GTIPNTGSOGVSKS-UHFFFAOYSA-N 303.362 3.232 5 40 DGBB O=C(NCc1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 72295430 QDVNHOWRNKKSFP-UHFFFAOYSA-N 323.308 3.180 5 40 DGBB O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] 33040303 FWXDVLRVZDVCNX-UHFFFAOYSA-N 315.285 3.010 5 40 DGBB O=C(Cc1ccccc1[N+](=O)[O-])NCCSc1ccccc1 12376846 ZRLVIEOISXMFBF-UHFFFAOYSA-N 316.382 3.046 5 40 DGBB CCOc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 7779347 VJRAIVMSTPNVAR-UHFFFAOYSA-N 314.341 3.266 5 40 DGBB Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)c1ccncc1 195053002 ZQXZSOWPERVZSE-UHFFFAOYSA-N 313.357 3.006 5 40 DGBB O=[N+]([O-])c1cccnc1NC[C@@H](c1ccco1)N1CCCCC1 21363928 OBFZGFPDNYRLDM-AWEZNQCLSA-N 316.361 3.222 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C 224997445 VXFCIGMHEVPRKU-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2C[C@@H]1CO1 3149232 UQYBJOCNWSELRR-LLVKDONJSA-N 313.269 3.010 5 40 DGBB C[C@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 8193949 IMHJTFAIHBNLDD-NSHDSACASA-N 317.320 3.023 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1 14307372 SZPMYRQGHFKRQB-UHFFFAOYSA-N 323.356 3.250 5 40 DGBB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 17166981 QAKLJPOXWJHLQY-TXEJJXNPSA-N 317.389 3.287 5 40 DGBB O=[N+]([O-])c1ccc(NCCNc2ccc3ccccc3n2)nc1 58440934 HNWDOVCQDOUEJF-UHFFFAOYSA-N 309.329 3.062 5 40 DGBB COc1ccc2cc3c4cc5c(cc4ccn3cc-2c1=O)OCO5 77286592 UDPOAEFITNHCJZ-UHFFFAOYSA-N 319.316 3.295 5 40 DGBB in-vitro CC(C)C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C 92943910 NSKLLIDCHHRAHQ-GFCCVEGCSA-N 309.366 3.158 5 40 DGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 3360160 SJVGNGYRNVANDC-UHFFFAOYSA-N 312.325 3.101 5 40 DGBB CC(C)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)o1 20033790 FERKTRGWHLFQET-UHFFFAOYSA-N 307.331 3.076 5 40 DGBB CO[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 69148441 VLTOELHTWXPKSR-RNUUNTDPSA-N 323.320 3.248 5 40 DGBB C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 89904286 KGBYBDOKMRSCNT-SNVBAGLBSA-N 320.370 3.065 5 40 DGBB O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc12 188968 OEAGSSGUVLEHGK-UHFFFAOYSA-N 302.673 3.417 5 40 DGBB Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] 568777 GCQDPSUFSWNCSF-UHFFFAOYSA-N 314.385 3.458 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccccc1 3536845 IMDNOSYHIUSZKB-LLVKDONJSA-N 315.329 3.043 5 40 DGBB CCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 46182249 ZCINOJYCZGZTTA-UHFFFAOYSA-N 314.341 3.314 5 40 DGBB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 55675144 AIULZQUNRCDFSK-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=C(NC1CC(c2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] 95965213 YQBQWAFKFODWBI-UHFFFAOYSA-N 314.316 3.410 5 40 DGBB O=c1cc(C(F)(F)C(F)(F)F)oc2ccc([N+](=O)[O-])cc12 112328 KXFZHQAPAVADMX-UHFFFAOYSA-N 309.146 3.355 5 40 DGBB COc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2N)cc1 3953458 ZXUUTPKDKOWHNZ-HNNXBMFYSA-N 304.371 3.388 5 40 DGBB C[C@@H](C[S@](C)=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 129615283 BPMXVGXEUDFJOW-AHGSNSTDSA-N 311.190 3.081 5 40 DGBB CN(C)C(=O)CCCSc1ccc([N+](=O)[O-])cc1Cl 252506053 VXJYGLFLJYXYIN-UHFFFAOYSA-N 302.783 3.209 5 40 DGBB CC(C)Sc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 4086607 BREWJRGGSZOYTC-UHFFFAOYSA-N 324.387 3.199 5 40 DGBB COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F 7924776 MZCCZAZRUOSDIB-JTQLQIEISA-N 318.304 3.234 5 40 DGBB CN(Cc1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-] 8319246 PUJGXORPZMIUMF-UHFFFAOYSA-N 306.322 3.080 5 40 DGBB O=C1OCCN1c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 95350769 PKFOKGUEJCPTKV-UHFFFAOYSA-N 313.313 3.164 5 40 DGBB O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 225125484 AXZPTCNGEGOZJT-AWEZNQCLSA-N 321.716 3.323 5 40 DGBB O=[N+]([O-])c1cc2c(cc1C[C@@H]1CC1(Cl)Cl)OCCO2 4006222 USKADWBMQCFSSQ-MRVPVSSYSA-N 304.129 3.102 5 40 DGBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 4721823 OAZLTQNRHLJEGC-MRXNPFEDSA-N 324.336 3.363 5 40 DGBB Cc1csc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 5101693 KFNZZELRRQMEFI-UHFFFAOYSA-N 309.372 3.091 5 40 DGBB Cc1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2N)c1 12643836 OTSNBULZNWVNOV-UHFFFAOYSA-N 300.314 3.151 5 40 DGBB CCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 65589854 LQIXBDKACGOENP-UHFFFAOYSA-N 316.317 3.314 5 40 DGBB C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 95413876 PKZFGGRLDDOZHT-ZWNOBZJWSA-N 305.359 3.018 5 40 DGBB Cc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 516372 ODEJXNBHQAMTJW-UHFFFAOYSA-N 300.314 3.229 5 40 DGBB C[C@H]1CCc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 4031461 IJXMWAPJWLGLPZ-VIFPVBQESA-N 317.370 3.428 5 40 DGBB O=[N+]([O-])c1ccc2ncnc(NCCc3cccs3)c2c1 80109270 YCVHGZMRVWRDFJ-UHFFFAOYSA-N 300.343 3.254 5 40 DGBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)no1 8156516 KMBQCUZASMWIDJ-UHFFFAOYSA-N 313.269 3.404 5 40 DGBB COc1cc(Nc2nc3sccn3c2[N+](=O)[O-])cc(OC)c1 8709792 SXYKVCWNCAHVBS-UHFFFAOYSA-N 320.330 3.065 5 40 DGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nccs1 5574962 CROUIIBJIJEFGR-DUXPYHPUSA-N 309.734 3.357 5 40 DGBB CNC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 48188 UQTFDPZJWGHJDN-UHFFFAOYSA-N 306.705 3.400 5 40 DGBB O=[N+]([O-])c1ccc(-n2nnnc2Oc2ccc(Cl)cc2)cc1 376962 LSTGPIYGUYQVHR-UHFFFAOYSA-N 317.692 3.016 5 40 DGBB Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)ccc1[N+](=O)[O-] 12843568 MZUMHOKNNMDQMJ-UHFFFAOYSA-N 317.374 3.367 5 40 DGBB O=C(Nc1ccc2c(c1)CCO2)c1ccc(Cl)cc1[N+](=O)[O-] 31343422 KTUYCNYDMVTSPO-UHFFFAOYSA-N 318.716 3.435 5 40 DGBB Cc1cc2ncc3c([n+]2o1)/C(=C\c1ccc([N+](=O)[O-])cc1)CC3 33733136 SQCXYYDTFRIEJL-LCYFTJDESA-N 308.317 3.117 5 40 DGBB COc1c(OC(=O)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] 43827659 REDHGOXQUJIHKU-UHFFFAOYSA-N 307.689 3.476 5 40 DGBB O=[N+]([O-])c1ccccc1CS(=O)(=O)c1ccc(Cl)cc1 199534178 OTMFSMMWGVITPZ-UHFFFAOYSA-N 311.746 3.222 5 40 DGBB O=[N+]([O-])c1cc2c(c(COc3ccccc3F)c1)OCOC2 6128385 LNHAYWUFMQHISK-UHFFFAOYSA-N 305.261 3.179 5 40 DGBB Cc1cnccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 71885877 LLBRMRYRKSXSEM-NSHDSACASA-N 317.370 3.418 5 40 DGBB CNc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1[N+](=O)[O-] 92729090 IKHFZOYPGTYNLT-CQSZACIVSA-N 315.377 3.087 5 40 DGBB CN(C)C(=O)c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1 78440781 LZAUXVJKIXYSDQ-UHFFFAOYSA-N 318.304 3.015 5 40 DGBB Cc1ccc(OC[C@H](O)C[N+]2(C)CCCC2)c(C(C)(C)C)c1 226071784 HCBGOQPLDIZQKJ-MRXNPFEDSA-N 306.470 3.273 5 40 DGBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCCC1 4906233 FJOYYWOXGDZQNH-UHFFFAOYSA-N 303.362 3.185 5 40 DGBB CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 7093762 HMAJTZPJZHGHPT-UHFFFAOYSA-N 316.382 3.491 5 40 DGBB COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 2626246 AHVMZJDIKRYQDU-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB Cc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC2=O 24985673 DEDWJWMVAVCMDE-AWEZNQCLSA-N 317.732 3.411 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2ccc(F)cc21 40117137 IXQVDLLFIFXIGZ-UHFFFAOYSA-N 300.289 3.327 5 40 DGBB COCC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 42097936 VQENDKZAUNGBCL-UHFFFAOYSA-N 319.292 3.062 5 40 DGBB CC(C)n1c(SCc2ccccc2[N+](=O)[O-])nnc1N(C)C 69744792 BJVDMTLWPTUUBZ-UHFFFAOYSA-N 321.406 3.126 5 40 DGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(C(C)(C)C)no1 95948520 VUJFBNZXIRXORD-LLVKDONJSA-N 318.377 3.468 5 40 DGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1cccc([N+](=O)[O-])c1 3851246 OWQMMMGPOLNNLH-UHFFFAOYSA-N 321.220 3.253 5 40 DGBB biogenic COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 226291680 GRJJQQRDRVRXCV-UHFFFAOYSA-N 301.298 3.151 5 40 DGBB Cc1cccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])c1 13632482 MKVUAPLFDSSUOW-UHFFFAOYSA-N 312.369 3.195 5 40 DGBB CCCOc1ccc(CNc2ncccc2[N+](=O)[O-])cc1OC 32827759 NODDTBSWASHDAY-UHFFFAOYSA-N 317.345 3.399 5 40 DGBB Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)c1C 1739165 DLOMWRPSTKDVOY-UHFFFAOYSA-N 314.297 3.162 5 40 DGBB CCC(CC)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 11617420 SLSBGEKHXZHGST-UHFFFAOYSA-N 320.374 3.488 5 40 DGBB Cc1cc(C(=O)Nc2ccccc2-n2ccnc2)ccc1[N+](=O)[O-] 45859945 RVNMFEINWFGYQY-UHFFFAOYSA-N 322.324 3.341 5 40 DGBB CC1CC[N+](C)(C[C@H](O)COc2ccc3ccccc3c2)CC1 226073042 SWJTXUXCXLBTJQ-BSLVTKGXSA-N 314.449 3.456 5 40 DGBB CC(=O)c1cccc(NCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 3261700 CFSIUCUAKXALAO-UHFFFAOYSA-N 312.325 3.401 5 40 DGBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCCC1 4031913 ZFFAWJGVDWLYCL-AKHDSKFASA-N 312.518 3.455 5 40 DGBB C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1cc2ccccc2o1 9726814 GAQDYLLNLPMUEM-JTQLQIEISA-N 313.313 3.171 5 40 DGBB COc1ccccc1[C@H](C)N(C)C(=O)c1ccccc1[N+](=O)[O-] 25328664 BRJVHKCOVULRLF-LBPRGKRZSA-N 314.341 3.437 5 40 DGBB Cc1ccc(NCCc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 62719223 DGCYYXLFIKVNAB-UHFFFAOYSA-N 323.356 3.343 5 40 DGBB CN(C(=O)CSc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 65493364 XLHWRQILDXSGBB-UHFFFAOYSA-N 318.354 3.056 5 40 DGBB O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1556146 JFOHNZNBQSCGHA-UHFFFAOYSA-N 306.661 3.387 5 40 DGBB O=[N+]([O-])c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 2048932 MBOTVYMOQXKMAR-UHFFFAOYSA-N 312.241 3.220 5 40 DGBB biogenic Cc1ccccc1[C@@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 24060924 KCAMHPGYOGEUGF-GFCCVEGCSA-N 324.340 3.084 5 40 DGBB CC(C)N1CCC(N(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 69707677 RHDWOOMQMLKWTC-UHFFFAOYSA-N 309.385 3.039 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(C(C)(C)C)no1 95948519 VUJFBNZXIRXORD-NSHDSACASA-N 318.377 3.468 5 40 DGBB CCNCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 195073674 JBBCOLXJAOSLTN-UHFFFAOYSA-N 317.320 3.096 5 40 DGBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 567905 UQZUFRNKAGTPSG-UHFFFAOYSA-N 316.313 3.254 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 4058882 SKPJDBFAYPCRKC-MRVPVSSYSA-N 319.239 3.282 5 40 DGBB CCc1ccc(NC(=O)c2cnc3ccccc3n2)cc1[N+](=O)[O-] 30396831 RXLPSBLXHMLMDY-UHFFFAOYSA-N 322.324 3.353 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)c(C)o1 37150153 SDJQEYFBCABFDH-UHFFFAOYSA-N 308.315 3.137 5 40 DGBB O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1 36329029 AUQMOUSSOPUZEB-UHFFFAOYSA-N 322.368 3.003 5 40 DGBB CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 48278746 HCBNUSIBDHRXIZ-UHFFFAOYSA-N 319.405 3.178 5 40 DGBB O=C(c1ccc2cc[nH]c2c1)N1CCc2ccc([N+](=O)[O-])cc21 55098355 JJKKCCUAARCPIM-UHFFFAOYSA-N 307.309 3.279 5 40 DGBB COc1cccc(OC)c1C(=O)Nc1cccc([N+](=O)[O-])c1C 5921591 KCEQOTKHHYASHO-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1cc(C)cc(OCCN(C)c2ccc([N+](=O)[O-])cn2)c1 15143122 AENIFPQYGRCHTM-UHFFFAOYSA-N 301.346 3.122 5 40 DGBB COc1ccccc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C 20457386 ZCGCSAILDOPDNP-UHFFFAOYSA-N 314.341 3.184 5 40 DGBB O=C(Nc1ccc(F)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc12 36398392 OEWUFCRYJQPDQI-UHFFFAOYSA-N 318.239 3.002 5 40 DGBB O=[N+]([O-])c1cccnc1NCc1ccnc(OC2CCCC2)c1 42107944 YWSBWANYZMEJFQ-UHFFFAOYSA-N 314.345 3.318 5 40 DGBB Cc1cc(SCCOc2ccccc2[N+](=O)[O-])nc(C)n1 53821349 UCNZAVYHKJWJTA-UHFFFAOYSA-N 305.359 3.173 5 40 DGBB C[C@@H]1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@H](C)C1 59461471 JDGBERZXNHFTLX-GHMZBOCLSA-N 302.330 3.326 5 40 DGBB CC(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527868 VDHIZXQXBROENS-UHFFFAOYSA-N 322.408 3.317 5 40 DGBB Cc1c(C(=O)NCCCc2ccc(F)cc2)cccc1[N+](=O)[O-] 10542327 FZWQHUUVSJSUCM-UHFFFAOYSA-N 316.332 3.405 5 40 DGBB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 4676458 HNQCIZHRRGZFQC-UHFFFAOYSA-N 300.314 3.473 5 40 DGBB CO[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 562666 OCDUODRKAIICAA-OAHLLOKOSA-N 300.314 3.229 5 40 DGBB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6042949 KRKLGOIULBKIKK-GFCCVEGCSA-N 314.407 3.090 5 40 DGBB COc1ccc(C(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])cc1 10446386 UMSDBLNFOGDMOB-JTQLQIEISA-N 319.288 3.393 5 40 DGBB C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 108106537 PKZFGGRLDDOZHT-MFKMUULPSA-N 305.359 3.018 5 40 DGBB O=C(NCCc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 18177617 ALTHWJUMDGLZDU-UHFFFAOYSA-N 303.293 3.098 5 40 DGBB O=Cc1cn(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12 216934790 GZLWRJLJBKVJIN-UHFFFAOYSA-N 324.292 3.081 5 40 DGBB COc1cc(N2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] 172785629 ZMFWJWKJSJYUSJ-UHFFFAOYSA-N 304.268 3.382 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccccc1 13792906 PPPYJYKDHYJXIS-UHFFFAOYSA-N 317.370 3.090 5 40 DGBB Cc1ccc(-c2cc(Cn3nc(C)c([N+](=O)[O-])c3C)on2)cc1 32315770 BEOZWDLKTHSTPT-UHFFFAOYSA-N 312.329 3.420 5 40 DGBB Cc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 3267330 OAPIWGLUVXDSAF-UHFFFAOYSA-N 312.325 3.423 5 40 DGBB O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 192726203 RECAABAORMPAFU-UHFFFAOYSA-N 318.763 3.111 5 40 DGBB C[C@H]1CCCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 5860468 DWBHKPRKGUWKCX-JTQLQIEISA-N 311.769 3.061 5 40 DGBB O=[N+]([O-])c1c(Br)cccc1OCC(F)(F)F 169800476 CRHWCTGSDWTFFI-UHFFFAOYSA-N 300.030 3.298 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC(C)CC2)cc1OC 45957567 WEEXKJIWJNEJIU-UHFFFAOYSA-N 322.361 3.016 5 40 DGBB CNc1ccc(CN[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] 89396003 SCUXFVBMSSNHSD-CYBMUJFWSA-N 301.346 3.397 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F 216806270 WLRUIRBZDBCLSF-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 179878 UPPJKWRNZWHTLR-OAHLLOKOSA-N 300.339 3.373 5 40 DGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 4547047 ZXUVDZMAWXSXDH-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2cccc(F)c2)cc1 7912057 FJIJMDSCUGWQSC-CMDGGOBGSA-N 307.302 3.179 5 40 DGBB Cc1ccc(NC(=O)CN(C(C)C)C2CCCC2)cc1[N+](=O)[O-] 58392285 ULOPSPKJQMPJQZ-UHFFFAOYSA-N 319.405 3.495 5 40 DGBB C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]12 95416826 ACHGEMTVKBYDCJ-LALPHHSUSA-N 303.362 3.031 5 40 DGBB O=C(CC[C@H]1CCCOC1)N1CCCc2ccc([N+](=O)[O-])cc21 95963551 UDTCDGBDOQHORF-CYBMUJFWSA-N 318.373 3.081 5 40 DGBB COc1ccc(-c2nc3c(C)cccn3c2C=O)cc1[N+](=O)[O-] 1527438 REKULKQDQLVDNL-UHFFFAOYSA-N 311.297 3.039 5 40 DGBB CCN(CC)CCOC(=O)c1c(C)c(C)c([N+](=O)[O-])c(C)c1C 1661314 BWHHOIKWBPQRHV-UHFFFAOYSA-N 322.405 3.327 5 40 DGBB O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1 12848857 RMPLRADJVBBNOE-MRXNPFEDSA-N 312.373 3.239 5 40 DGBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccco1 27944 DOSHLCJYWSSKGT-KPKJPENVSA-N 318.672 3.186 5 40 DGBB CC(C)c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 1728613 WYIGMWNOCZPCKU-UHFFFAOYSA-N 321.354 3.486 5 40 DGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 5234079 VTJAXYSHLLEGKM-UHFFFAOYSA-N 320.370 3.321 5 40 DGBB COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 8148605 OCHWUAXFIYOCTN-UHFFFAOYSA-N 300.314 3.418 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])Cc1ncoc1C1CC1 95458179 VISCLUMAPNUMIT-UHFFFAOYSA-N 301.346 3.482 5 40 DGBB Cc1cccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 4696536 MDVRSOBDEIVGJP-GDNBJRDFSA-N 308.293 3.248 5 40 DGBB CCN(CC)c1c([N+](=O)[O-])cc(Cl)c(N)c1Br 45891280 VAXOGFGCSZZVMQ-UHFFFAOYSA-N 322.590 3.439 5 40 DGBB O=C(NCCOc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 16009542 OPOLNQUBVAPCNJ-UHFFFAOYSA-N 320.732 3.057 5 40 DGBB Cc1ccc(NC(=O)NCCCOCC(C)C)cc1[N+](=O)[O-] 40095634 IJVROIGAJHCTCJ-UHFFFAOYSA-N 309.366 3.087 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)cc1OC 45957616 AXHMOCKAEAUBPJ-UHFFFAOYSA-N 308.334 3.135 5 40 DGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2o1 96005857 GQEDOYMRDAECFX-QMMMGPOBSA-N 302.242 3.247 5 40 DGBB C[N+]1(C)CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3 1280431 DQWPYNHMMBDKES-HNNXBMFYSA-O 310.373 3.018 5 40 DGBB COc1ccccc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 5869768 SWQFHTSLRWUXPI-NSHDSACASA-N 316.313 3.009 5 40 DGBB CCOC(=O)c1cnc2c3c1oc1ccc(F)cc1c3nn2C 64220321 CYTSCFKILVHCDW-UHFFFAOYSA-N 313.288 3.184 5 40 DGBB COC[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 189798677 AISCILCWIZWEDA-ZDUSSCGKSA-N 320.389 3.217 5 40 DGBB CCCO[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 78671187 CQIKALJMOOEVQY-ZDUSSCGKSA-N 306.362 3.016 5 40 DGBB CCOc1nnc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 58183048 UIXDEPTWSRGPAB-SNVBAGLBSA-N 322.390 3.038 5 40 DGBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)c1 84667341 MOPXAAKASVOJOY-VIFPVBQESA-N 322.752 3.469 5 40 DGBB NC(=O)c1ccc(N2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 7981797 UFWHPCFYMBMJGZ-GFCCVEGCSA-N 317.370 3.097 5 40 DGBB Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1 25763385 IJCAKYDECFWVHS-UHFFFAOYSA-N 300.314 3.301 5 40 DGBB COc1ccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)cc1 102517805 NTRJDJODNVEKAR-SAPNQHFASA-N 312.281 3.288 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C)cc1 8907818 CWDYKIVJNKTKPO-UHFFFAOYSA-N 314.341 3.483 5 40 DGBB CCOC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1OC 57339875 QIYVGKORUKNTAC-UHFFFAOYSA-N 301.298 3.447 5 40 DGBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Cl 4611177 GIKINCUOLNEVNW-UHFFFAOYSA-N 321.676 3.409 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccnn3[C@@H](C)C[C@@H]2C)c1 96425038 FEZVRUURZBYCLR-RYUDHWBXSA-N 314.345 3.100 5 40 DGBB CC1(C)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCS1 279278738 KFELOVNJCFBRSE-UHFFFAOYSA-N 322.430 3.272 5 40 DGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(Cl)cc1 1620308 ADAXTQPIUPUSAN-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB O=c1c(-c2ccc(Cl)cc2)c[nH]n1-c1cccc([N+](=O)[O-])c1 3133803 CMHMOWYIIHMOAS-UHFFFAOYSA-N 315.716 3.394 5 40 DGBB O=C(NCCSCc1ccccc1)c1cccc([N+](=O)[O-])c1 7642370 YLCVABQQTVKLHM-UHFFFAOYSA-N 316.382 3.258 5 40 DGBB O=C(NCc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 8725751 SQOINKJLYXSRRU-UHFFFAOYSA-N 313.338 3.135 5 40 DGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(F)c1 25440699 PZWTZWFYMITWFL-UHFFFAOYSA-N 304.277 3.303 5 40 DGBB Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 32738274 SJAHXYCNTFHRPC-LLVKDONJSA-N 324.340 3.271 5 40 DGBB Cc1cc(OCc2nccn2C(F)F)c(F)cc1[N+](=O)[O-] 185676940 UJNWXRQVUTZWOW-UHFFFAOYSA-N 301.224 3.213 5 40 DGBB O=C(c1cccc(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 4723315 QNDKDSPEVYFMHC-UHFFFAOYSA-N 319.700 3.250 5 40 DGBB C[C@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1 27663356 BKATUBXXKHXXQL-SNVBAGLBSA-N 300.318 3.015 5 40 DGBB O=C(c1ccc(Cl)cc1)[C@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1 35494552 GJTWSHRFSFPZQL-KGLIPLIRSA-N 302.717 3.144 5 40 DGBB Cn1cnc([N+](=O)[O-])c1NCCNc1cccc2ccccc12 39530051 WHFACLOHZLHVHH-UHFFFAOYSA-N 311.345 3.006 5 40 DGBB Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCc2nccs2)c1 95401860 LFVITPUYYVRTTN-UHFFFAOYSA-N 319.386 3.112 5 40 DGBB COC(=O)c1ccccc1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 225208801 QFFZNOCNBVTRPA-UHFFFAOYSA-N 314.297 3.328 5 40 DGBB C[C@@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 29187173 DEFWEJHUKMLSDK-MRVPVSSYSA-N 316.342 3.066 5 40 DGBB COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2cc(F)ccc2F)c1 69563954 HRJQTBDOGRQKKZ-UHFFFAOYSA-N 322.267 3.158 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C(C)C)no1 72285049 YOEOYZWFDCAKNH-UHFFFAOYSA-N 318.333 3.336 5 40 DGBB CCOC(=O)[C@H]1Nc2ccc3cc4ccccc4cc3c2[C@H]1O 3844866 BGJKGDOANYUTPX-ZWKOTPCHSA-N 307.349 3.384 5 40 DGBB biogenic COc1ccc([C@@H](O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 226293181 DJEOYOGICAVBPE-INIZCTEOSA-N 303.314 3.002 5 40 DGBB CCc1nc(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)cs1 83093551 WCDFSASJYZSBSW-UHFFFAOYSA-N 306.322 3.240 5 40 DGBB CC(C)c1nccn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 96500029 IEDOAWPLTRUTND-UHFFFAOYSA-N 313.317 3.013 5 40 DGBB O=c1[nH]c2cc(I)ccc2c2ccccc12 16928774 QPBCZZGQWOIFAU-UHFFFAOYSA-N 321.117 3.286 5 40 DGBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 1800545 ANYJMNDGWHMSJA-UHFFFAOYSA-N 316.269 3.339 5 40 DGBB O=C(/C=C/c1cccc(F)c1)OCc1ccc([N+](=O)[O-])cc1 5559256 SDOGYAPCQIHPPM-RMKNXTFCSA-N 301.273 3.491 5 40 DGBB Nc1c(C(=O)c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 16159220 HHCJRBNMQMQWBL-UHFFFAOYSA-N 300.245 3.293 5 40 DGBB Cc1cc(C)cc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 54291108 WWSMTLPJLYQBSW-UHFFFAOYSA-N 313.357 3.287 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 69533590 MORYWOJHBBOHPM-GFCCVEGCSA-N 313.313 3.060 5 40 DGBB O=[N+]([O-])c1cc(CSc2nc(-c3ccccn3)n[nH]2)cs1 71910014 ONSGGDDZRZPHAV-UHFFFAOYSA-N 319.371 3.129 5 40 DGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 8768085 YXJOPBPPGFFOLG-UHFFFAOYSA-N 321.336 3.275 5 40 DGBB CC(C)(C)n1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 69656872 RXTQVQFMVTUDPJ-UHFFFAOYSA-N 322.752 3.452 5 40 DGBB O=C(c1cc(Cl)ccn1)N1CCCc2c1cccc2[N+](=O)[O-] 95436687 BHDGKOZTPVQIRV-UHFFFAOYSA-N 317.732 3.236 5 40 DGBB COc1ccc(NC(C)=O)c(NCc2csc([N+](=O)[O-])c2)c1 96427458 MLRVCPLUSUKSMU-UHFFFAOYSA-N 321.358 3.235 5 40 DGBB Cc1ccc(C(=O)NCCSCc2ccco2)cc1[N+](=O)[O-] 138680919 NMOHYFRDALXDRL-UHFFFAOYSA-N 320.370 3.159 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 216806451 FVJLAWVXVKYNGM-UHFFFAOYSA-N 305.261 3.100 5 40 DGBB O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2cccc(F)c21 390835728 WIAPHNVZOMTFOW-UHFFFAOYSA-N 304.252 3.076 5 40 DGBB CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC 36092139 FDERFRQZKXHUIK-VURMDHGXSA-N 304.302 3.469 5 40 DGBB CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 48275221 OHQWMUYPZBUFPI-UHFFFAOYSA-N 310.313 3.281 5 40 DGBB Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccnc2)nc1 80542720 GCBJLNNATHOJRL-UHFFFAOYSA-N 309.329 3.096 5 40 DGBB C[C@H]1CC[C@@H](CCC(=O)N2CCCc3c2cccc3[N+](=O)[O-])O1 95973892 BMBUISCRRZIYOE-STQMWFEESA-N 318.373 3.222 5 40 DGBB CCOC(=O)C1=C(C)[C@H](c2ccc([N+](=O)[O-])cc2)SC=C1N 100031627 JLXCESWSIWHFAI-CQSZACIVSA-N 320.370 3.062 5 40 DGBB C[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 3897021 QDNLXTJCVIGZLH-VIFPVBQESA-N 317.370 3.428 5 40 DGBB CCn1c(NC(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc21 10651567 XWPBERDBPZOJGE-UHFFFAOYSA-N 324.340 3.146 5 40 DGBB CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 2356622 IMLXFSPHQFFFFB-UHFFFAOYSA-N 324.340 3.136 5 40 DGBB O=[N+]([O-])c1ccc(-c2noc(CN3CCCCCC3)n2)cc1 47406555 VLONGMOXNRFUMR-UHFFFAOYSA-N 302.334 3.021 5 40 DGBB CCc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 4218430 IODORNAGXSLTMJ-UHFFFAOYSA-N 312.325 3.369 5 40 DGBB O=[N+]([O-])c1ccc(N2CCCN(CC3CCCCC3)CC2)nc1 80155735 QVXSADAHPMHCHE-UHFFFAOYSA-N 318.421 3.082 5 40 DGBB CN(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 69592045 VAQINWZCOQHABN-UHFFFAOYSA-N 312.373 3.095 5 40 DGBB CN(Cc1ccccc1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991405 CSPVWLJREKCAIK-UHFFFAOYSA-N 310.353 3.285 5 40 DGBB Cc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1 224692356 IQHKGWAHEFFIMW-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB C[N@+]12CCCC[C@@H]1[C@@H](COCC(=O)Oc1ccccc1)CCC2 247692088 WWQWQFSJWQNUDV-YVWKXTFCSA-N 318.437 3.018 5 40 DGBB biogenic,in-vitro CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 36395589 UWOFQWLFGLDVSG-UHFFFAOYSA-N 313.357 3.450 5 40 DGBB O=C(Cc1c[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21 48286661 DPFNQGBZLZMNGY-UHFFFAOYSA-N 321.336 3.208 5 40 DGBB Cc1cccc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1C 48363756 UEPWNNMTUDMKRA-UHFFFAOYSA-N 313.357 3.287 5 40 DGBB CC[C@@H](NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1 96454685 HGQMPAGTJLPGLG-GFCCVEGCSA-N 305.359 3.241 5 40 DGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1O 29829033 INKUWJYMPAQZEN-UHFFFAOYSA-N 320.732 3.226 5 40 DGBB O=C(NCCCn1ccc2ccccc21)c1cccc([N+](=O)[O-])c1 12556241 VGYOAYWGTZUNAG-UHFFFAOYSA-N 323.352 3.370 5 40 DGBB O=C(Nc1ccc2[nH]c(=O)c3ccccc3c2c1)C(F)(F)F 17429299 DYEYYWVXFPGWIT-UHFFFAOYSA-N 306.243 3.182 5 40 DGBB COCc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 25821805 QJGCBPJPEVTCDK-JXMROGBWSA-N 312.325 3.393 5 40 DGBB O=[N+]([O-])c1ccccc1N1CCN(c2nc3ccccc3o2)CC1 30622862 WVFONHWZPGAGQV-UHFFFAOYSA-N 324.340 3.063 5 40 DGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 34872632 PGKPREMYGPZIKE-CQSZACIVSA-N 320.370 3.489 5 40 DGBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 52360219 LZWXLINOZZCFRR-SNVBAGLBSA-N 312.329 3.048 5 40 DGBB CCN(CC)CCOC(=O)c1ccc([N+](=O)[O-])c2ccccc12 1734084 IZKOATUGGHKSGF-UHFFFAOYSA-N 316.357 3.247 5 40 DGBB Cc1nc(C2(NCc3csc([N+](=O)[O-])c3)CCCCC2)no1 84280710 XYHHKKOGRDDWKY-UHFFFAOYSA-N 322.390 3.297 5 40 DGBB O=C(Cc1cccs1)N1CCCc2c1cccc2[N+](=O)[O-] 95436671 XTAFHDLSHYLAOY-UHFFFAOYSA-N 302.355 3.178 5 40 DGBB CC(C)C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl 45891851 DFLUAZARZNBQKH-UHFFFAOYSA-N 311.769 3.443 5 40 DGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1C 5268115 VJDIBDMHMILLGH-UHFFFAOYSA-N 314.341 3.401 5 40 DGBB CCc1nc2sc3c(ncn4ncnc34)c2c2c1CCCC2 501474 MFUHJBGREOCBDN-UHFFFAOYSA-N 309.398 3.328 5 40 DGBB O=[N+]([O-])c1ccccc1[C@@H](O)[C@@H](c1ccccc1)[n+]1ccccc1 1556121 SXEIUHKAEFPPJK-RTBURBONSA-N 321.356 3.205 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC(OCc2ccccc2)CC1 40477333 RAUCIKYWWYLZOV-UHFFFAOYSA-N 313.357 3.175 5 40 DGBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 7781277 YVKRTPUXEPUFFJ-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB O=[N+]([O-])c1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1 228945742 YBFRRHVALHECKH-UHFFFAOYSA-N 310.100 3.031 5 40 DGBB CCCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5456941 MRMUPNBJPQJUKW-VIFPVBQESA-N 305.290 3.049 5 40 DGBB CCn1nc(C)c([N+](=O)[O-])c1C(=O)N(C)CC1CCC(C)CC1 95986870 NKTNDJCSIRKGCW-UHFFFAOYSA-N 322.409 3.018 5 40 DGBB CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 40088673 CTSBVQCWPZYDAF-KRWDZBQOSA-N 300.358 3.150 5 40 DGBB Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1[N+](=O)[O-] 226804 RCKMDFKYZKSOKU-NSHDSACASA-N 300.314 3.209 5 40 DGBB O=[N+]([O-])c1cccnc1N1CCC(COc2ccccc2)CC1 54981353 DKMPFNYLNOSARN-UHFFFAOYSA-N 313.357 3.285 5 40 DGBB O=[N+]([O-])c1ccccc1[C@H]1C=C(c2ccccc2)Nc2ncnn21 104809829 AQCKEXFCENMBEM-MRXNPFEDSA-N 319.324 3.242 5 40 DGBB Cc1cc(C(=O)n2cc(C=O)c3ccccc32)ccc1[N+](=O)[O-] 216960890 VUBJBVPOAFLZLW-UHFFFAOYSA-N 308.293 3.359 5 40 DGBB Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C 225018537 RXDODCXOEBSAEM-UHFFFAOYSA-N 320.370 3.037 5 40 DGBB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 1458159 NUWMYORLVFUAAR-HTQZYQBOSA-N 306.240 3.039 5 40 DGBB CCCC[C@@H](CC)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 6042950 SEAVORKRADDOQP-GFCCVEGCSA-N 314.407 3.090 5 40 DGBB O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1Cl 7781299 TUKPBYNKWKBJEL-UHFFFAOYSA-N 302.677 3.360 5 40 DGBB O=[N+]([O-])c1ccc(CSc2nncn2CC(F)(F)F)cc1 72050888 VKBRXOZIXACEOS-UHFFFAOYSA-N 318.280 3.041 5 40 DGBB O=c1oc2c3cccc(O)c3ccc2c2c(O)cc(CO)cc12 514288078 NCBCXVQXOYNFQF-UHFFFAOYSA-N 308.289 3.003 5 40 DGBB biogenic,in-vitro C[C@@H](SCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 7132260 PHBUZONOIUKPQH-LLVKDONJSA-N 308.403 3.448 5 40 DGBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)nc1 89866478 WVTLTLJXWKEREG-CQSZACIVSA-N 309.329 3.208 5 40 DGBB COc1ccc(C(=O)CNc2cc([N+](=O)[O-])ccc2C)cc1 3270943 QHZJSKHPXKSHEW-UHFFFAOYSA-N 300.314 3.207 5 40 DGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 3515203 ROPQXOZYWISXEE-SNVBAGLBSA-N 304.277 3.140 5 40 DGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCC2 4079337 JGZMLZFMHKDHRM-UHFFFAOYSA-N 304.331 3.184 5 40 DGBB O=C1c2cccc(Cl)c2C(=O)N1c1ccc([N+](=O)[O-])cc1 4100051 YIJUDQXOJNECLX-UHFFFAOYSA-N 302.673 3.049 5 40 DGBB Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 4611076 UGPHSYPQXBHELI-UHFFFAOYSA-N 301.258 3.064 5 40 DGBB Cc1ccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)cc1 4834301 UZLIVKXSDZTILF-UHFFFAOYSA-N 316.361 3.187 5 40 DGBB CCS(=O)(=O)c1cccc(NCc2ccccc2[N+](=O)[O-])c1 83141588 FCNHTMHAZZIBMI-UHFFFAOYSA-N 320.370 3.001 5 40 DGBB CC(=O)N1c2ccccc2N(C(C)=O)c2cc([N+](=O)[O-])ccc21 95532014 FMTUOKRTWZVHJW-UHFFFAOYSA-N 311.297 3.277 5 40 DGBB Cc1ccc([N+](=O)[O-])c2c1[C@@H](N1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 104054946 KXNOTNFTDYFDHS-MQIPJXDCSA-N 320.389 3.225 5 40 DGBB Cc1c(CN2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-] 105887095 FNUITLABFURYAD-UHFFFAOYSA-N 314.389 3.012 5 40 DGBB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225016495 NHIDNDYVOQXSIU-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCCC1 4031914 ZFFAWJGVDWLYCL-ZSYWTGECSA-N 312.518 3.455 5 40 DGBB Cc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 5277330 RSKPIZSWJPKFCD-UHFFFAOYSA-N 315.354 3.030 5 40 DGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc(Cl)c1 7706693 FDHFPEZYMKHUOX-UHFFFAOYSA-N 316.700 3.044 5 40 DGBB C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 7977590 HWOGYKXUYPQYFZ-VIFPVBQESA-N 304.277 3.234 5 40 DGBB Cc1cc(C(=O)NCCSCc2ccco2)ccc1[N+](=O)[O-] 18075989 DKNWDEYQVJUTNK-UHFFFAOYSA-N 320.370 3.159 5 40 DGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)cc1C 32935325 ZGQZXSKQHIPRQK-UHFFFAOYSA-N 324.333 3.152 5 40 DGBB O=Cc1cn(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 216939533 JYDRYOXXBSIWSR-UHFFFAOYSA-N 324.292 3.081 5 40 DGBB C[C@]12CO[C@]3(C(=O)Nc4cccc([N+](=O)[O-])c4)C[C@@H]1CC[C@@]23C 100920626 IZWDZBPUWSWQNY-SPOWBLRKSA-N 316.357 3.129 5 40 DGBB Cc1ccc(OCc2cc(-c3ccco3)on2)c([N+](=O)[O-])n1 7229627 JEIVKQXTBLBKPO-UHFFFAOYSA-N 301.258 3.125 5 40 DGBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 69815371 UJUVVXHWSJPNCM-LBPRGKRZSA-N 305.359 3.241 5 40 DGBB O=C(O)c1cc(OCc2ccccc2Cl)cc([N+](=O)[O-])c1O 216753634 RWUHMCFZHLIJAP-UHFFFAOYSA-N 323.688 3.231 5 40 DGBB COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 585158 OMVYQIUETZMQOB-UHFFFAOYSA-N 300.314 3.093 5 40 DGBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 7982344 YDLPQMXSZCTXGS-VIFPVBQESA-N 305.721 3.134 5 40 DGBB C[C@@H](NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 89904921 KPQWSACZRQXAJR-CYBMUJFWSA-N 310.357 3.136 5 40 DGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1F 430120 MKRNJCLUJQFLIY-ZROIWOOFSA-N 312.256 3.078 5 40 DGBB CC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)s1 30742564 VIFAGHZASZNZNU-UHFFFAOYSA-N 305.311 3.216 5 40 DGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1[C@@H]1C[C@@H]2CC[C@@H]1C2 100832888 ASXTUVFJHPBHEQ-JDOCFBBISA-N 318.398 3.357 5 40 DGBB CCONC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 53720221 UEFDQZIQTUZJET-UHFFFAOYSA-N 310.693 3.190 5 40 DGBB COc1cc(CN2CCCc3ccccc32)c([N+](=O)[O-])cc1O 95456985 LESFWVBGKIRPRG-UHFFFAOYSA-N 314.341 3.262 5 40 DGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1[C@H]1C[C@H]2CC[C@H]1C2 105312549 ASXTUVFJHPBHEQ-KFYUAXIPSA-N 318.398 3.357 5 40 DGBB Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 58951250 XRDALBLAIADWRZ-UHFFFAOYSA-N 317.257 3.253 5 40 DGBB Cc1c(C(=O)NCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 2661280 VYLGGRXPOGQMMF-UHFFFAOYSA-N 304.733 3.487 5 40 DGBB C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 5603724 QPAGAQRWIDYNBG-JTQLQIEISA-N 305.359 3.409 5 40 DGBB COC(C)(C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 95996396 ONSNMVOGXCJCLD-NSHDSACASA-N 309.366 3.228 5 40 DGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100741703 XJMWFVSZQMKZIL-NFAWXSAZSA-N 320.414 3.133 5 40 DGBB O=C(Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 3218568 MDPHZYAKLZBEPL-UHFFFAOYSA-N 303.343 3.182 5 40 DGBB O=[N+]([O-])c1cccc(NCCNc2cccc([N+](=O)[O-])c2)c1 2187273 IZANSGUAGQZIFU-UHFFFAOYSA-N 302.290 3.027 5 40 DGBB Cc1nnc(SCc2nc3ccccc3c3ccccc23)n1N 7786147 IRWLXQWZNHQBNV-UHFFFAOYSA-N 321.409 3.294 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(C)cc1 216806089 IRJMYDRUYRBTBU-UHFFFAOYSA-N 301.298 3.269 5 40 DGBB Cc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 3148363 PJNWKWJELQOMOC-UHFFFAOYSA-N 315.285 3.372 5 40 DGBB COc1ccc(C(C)=O)cc1COc1ccccc1[N+](=O)[O-] 3382117 OKXNILUHLZRVCD-UHFFFAOYSA-N 301.298 3.385 5 40 DGBB Cc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 6477762 LMQVPEUZLSYZPT-UHFFFAOYSA-N 316.269 3.168 5 40 DGBB O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1 6848263 DBHHZLOWROSAOM-UHFFFAOYSA-N 313.718 3.016 5 40 DGBB CCn1c(NC(=O)c2ccccc2[N+](=O)[O-])nc2ccccc21 10651363 HLKUCTPVQYKOLY-UHFFFAOYSA-N 310.313 3.217 5 40 DGBB CCOC(=O)c1cc2cc([N+](=O)[O-])cc(Br)c2o1 44676144 AUBVSVIGEANFGC-UHFFFAOYSA-N 314.091 3.280 5 40 DGBB Cc1cccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] 69534111 LIHKEDCQNQVALT-UHFFFAOYSA-N 302.334 3.176 5 40 DGBB CN(CCCc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] 71811031 KHLJEXZRSGJHSW-UHFFFAOYSA-N 316.386 3.373 5 40 DGBB Cc1ccc(C)c(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 223975964 SSQBOTLQQXWTBO-UHFFFAOYSA-N 314.341 3.020 5 40 DGBB CC1=CC[C@]2(CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C1(C)C 675029623 CGZFSJOCVJBAJU-QGZVFWFLSA-N 314.341 3.221 5 40 DGBB Ic1cnc2c(ccc3cccnc32)c1 2049305445 SNMUFZWHPTZIGH-UHFFFAOYSA-N 306.106 3.388 5 40 DGBB COC(=O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 506893 JBXGJHODAGPURI-UHFFFAOYSA-N 311.677 3.207 5 40 DGBB CC[N+](C)(CC)C[C@@H](O)CCCCCCCCC(=O)OC 4728821 RHORJOLXSBZDIR-INIZCTEOSA-N 302.479 3.128 5 40 DGBB O=C(Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-])C1CCCC1 24755972 PUWOQBWPBCEEJU-UHFFFAOYSA-N 318.308 3.048 5 40 DGBB CCOCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 29282540 AXZQBVKSGWMHLS-UHFFFAOYSA-N 314.341 3.061 5 40 DGBB CCOc1ccc2oc3c(oc(=O)c4ccccc43)c(=O)c2c1 36621601 DPYPTLTYHARBAL-UHFFFAOYSA-N 308.289 3.451 5 40 DGBB COc1c(Br)cc(Br)cc1[N+](=O)[O-] 95117374 DKLXFVJCALPSBO-UHFFFAOYSA-N 310.929 3.128 5 40 DGBB O=[N+]([O-])c1cccc([C@@H](O)Cn2ccnc2-c2cccs2)c1 95974660 HMCCOZCTQODDSM-ZDUSSCGKSA-N 315.354 3.253 5 40 DGBB CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C 96011412 HUKZIKFKTBQCCQ-GWCFXTLKSA-N 309.366 3.158 5 40 DGBB O=C(Nc1cc(F)ccc1O)c1cccc(Cl)c1[N+](=O)[O-] 88403520 SQTGNTXMGDQJOQ-UHFFFAOYSA-N 310.668 3.345 5 40 DGBB COc1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 9721785 RQVKWKFBTGUSIU-UHFFFAOYSA-N 315.329 3.267 5 40 DGBB Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 5598847 JETWRXGTOKVBME-UHFFFAOYSA-N 306.343 3.012 5 40 DGBB CCCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 7321751 HOGHBDRRJFCHBJ-UHFFFAOYSA-N 324.387 3.201 5 40 DGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccn1 48349274 PBCLQLYSEPOQSH-NSHDSACASA-N 300.318 3.215 5 40 DGBB O=[N+]([O-])c1cccc(CSc2nncn2-c2ccccc2)c1 3543042 UPSRCRKVIIAZFS-UHFFFAOYSA-N 312.354 3.468 5 40 DGBB CCOc1cccc(N2CCO[C@@H](c3ccco3)C2)c1[N+](=O)[O-] 97140758 XOXVZECGYAMLRE-OAHLLOKOSA-N 318.329 3.164 5 40 DGBB COC[C@@H](Nc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 95409128 QHRQDFQCRLPAMK-GFCCVEGCSA-N 306.318 3.304 5 40 DGBB CCC(CC)c1cc(CNc2c([N+](=O)[O-])c(C)nn2C)on1 78400345 BKNXZRHXAFZSHQ-UHFFFAOYSA-N 307.354 3.140 5 40 DGBB O=C(NCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl 45170991 KUMRECZWEOAMDL-UHFFFAOYSA-N 308.696 3.317 5 40 DGBB Cc1ccc(S(=O)(=O)/C=C(/c2ccccc2)[N+](=O)[O-])cc1 6213608 XARRCXHBQVSZAX-PTNGSMBKSA-N 303.339 3.044 5 40 DGBB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6832157 SCCNRRZGVJJEPI-NSHDSACASA-N 315.329 3.043 5 40 DGBB O=[N+]([O-])c1ccccc1NCCNc1ncnc2sccc12 7365902 KLWZAWVSBCBJPH-UHFFFAOYSA-N 315.358 3.124 5 40 DGBB COc1cccc(NC(=O)CCOc2cccc([N+](=O)[O-])c2)c1 31553668 BMFFDPLSEQTHIF-UHFFFAOYSA-N 316.313 3.011 5 40 DGBB Cc1cc(-c2n[nH]c(COc3ccccc3)n2)ccc1[N+](=O)[O-] 40169701 KYRDQWCDAJGLGH-UHFFFAOYSA-N 310.313 3.267 5 40 DGBB O=[N+]([O-])c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 53602078 JZAYGIBATJYONX-LSDHHAIUSA-N 304.733 3.318 5 40 DGBB Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 66605829 GEVPPKQXGOXDHY-UHFFFAOYSA-N 301.327 3.177 5 40 DGBB CC[C@H](NC(=O)N1CCCSCC1)c1cccc([N+](=O)[O-])c1 90687765 RIGCMUJUPJZBBS-AWEZNQCLSA-N 323.418 3.194 5 40 DGBB CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 226257296 ZWYUYBVFBVKWNL-RMKNXTFCSA-N 317.297 3.440 5 40 DGBB O=C(CN1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 2629486 GJMDAJHHFAAKPL-UHFFFAOYSA-N 311.769 3.063 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)cccc1F 4071293 CUQISMQKVBGWQW-UHFFFAOYSA-N 308.240 3.134 5 40 DGBB Cc1ccc(SCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 9888954 OZTSXIOYGLBKRR-UHFFFAOYSA-N 316.382 3.425 5 40 DGBB CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1C 20489783 QWDNKGSPAJZLBA-UHFFFAOYSA-N 314.341 3.232 5 40 DGBB COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 216867961 MHDDNMDQOBZKMU-UHFFFAOYSA-N 300.270 3.420 5 40 DGBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 360474 GOABHUPOLXUCHE-UHFFFAOYSA-N 319.700 3.288 5 40 DGBB O=C(Nc1ccccc1F)OCCOc1ccc([N+](=O)[O-])cc1 1753708 MUAVSQULQRVTAP-UHFFFAOYSA-N 320.276 3.361 5 40 DGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1Cl 4703625 IMACHWXNEHBHRP-UHFFFAOYSA-N 319.748 3.090 5 40 DGBB Cc1cc(C)cc(OCCOc2ccc(C)nc2[N+](=O)[O-])c1 6985507 RPUFFNUPFHXTBJ-UHFFFAOYSA-N 302.330 3.373 5 40 DGBB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1c([N+](=O)[O-])ncn1C 72302475 RLQOQSJLVWSRMF-HUUCEWRRSA-N 314.389 3.409 5 40 DGBB CSC[C@@H](C)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 84776079 WDFQVSGECXGHCX-SECBINFHSA-N 305.359 3.081 5 40 DGBB Cc1cc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)ncc1[N+](=O)[O-] 95413883 CTWPYLBRQZVUNM-RISCZKNCSA-N 319.386 3.326 5 40 DGBB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCC(=O)c1ccc([N+](=O)[O-])cc1 585079495 HGOSBXMDQBKLDZ-UBHSHLNASA-N 317.341 3.147 5 40 DGBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2ccccc2)n1 13016423 KCQUPLHCPKLWES-UHFFFAOYSA-N 323.312 3.425 5 40 DGBB CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)C)n[nH]2)c1 71796062 CEIQAGCEXOYGKO-UHFFFAOYSA-N 320.374 3.416 5 40 DGBB CC(=O)c1ccc(NC[C@](C)(O)c2ccsc2)c([N+](=O)[O-])c1 77236491 CBRMCVICAWHGHI-HNNXBMFYSA-N 320.370 3.179 5 40 DGBB CCN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 45885918 HZCXIQQGWFWVNR-UHFFFAOYSA-N 304.177 3.044 5 40 DGBB O=[N+]([O-])c1c(Br)sc(NCC2CC2)c1[N+](=O)[O-] 5184869 PGYDZWNOMJUCGI-UHFFFAOYSA-N 322.140 3.149 5 40 DGBB COc1ccccc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 5510716 BNULKQQCPXSUBY-LLVKDONJSA-N 300.314 3.094 5 40 DGBB CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1ccccc1 1668821 JMJYBDIGYQMPNE-UHFFFAOYSA-N 316.269 3.347 5 40 DGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1ccccc1F 3339351 WLFYJMVHMXCDRB-MDZDMXLPSA-N 301.273 3.491 5 40 DGBB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 14258424 LLYQCJWWVXUBBH-UHFFFAOYSA-N 317.301 3.035 5 40 DGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCCc2ccc(F)cc21 40117111 AEWMRYSBXHXKIG-UHFFFAOYSA-N 300.289 3.327 5 40 DGBB CC(=O)c1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 4744819 JSTSCKQXIWFXHW-UHFFFAOYSA-N 303.343 3.355 5 40 DGBB C[C@H](c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 25494102 ZKSWTJOVFLVIFP-LLVKDONJSA-N 313.361 3.157 5 40 DGBB Cc1cc(NC[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 96008411 ZANJDFQIYLHJCV-OAHLLOKOSA-N 313.313 3.190 5 40 DGBB Cc1ccc(-c2nnc([C@@H](C)n3cc([N+](=O)[O-])cn3)o2)cc1C 97047987 JQNSTFVVPHQWQX-LLVKDONJSA-N 313.317 3.067 5 40 DGBB CC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cnn(CC)c1 95401902 CYRDHABEKOFKRN-AWEZNQCLSA-N 316.361 3.001 5 40 DGBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(C)CCCCC2)cc1 27666084 PWHRTRHOQCRWEH-KRWDZBQOSA-N 306.470 3.354 5 40 DGBB Cc1cccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 5107691 KMSQVJVBBFHHRB-LBPRGKRZSA-N 300.314 3.309 5 40 DGBB O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCCC2)nc1 14673088 XHKNPCUUJZZVFB-UHFFFAOYSA-N 312.373 3.198 5 40 DGBB O=[N+]([O-])c1cnc(NC2CCCCCCC2)nc1NC1CC1 26691142 YLNBFXBLPXCTMD-UHFFFAOYSA-N 305.382 3.484 5 40 DGBB CCn1nc(C)c(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C 76068908 DTVPVMOALYLPCV-UHFFFAOYSA-N 317.349 3.380 5 40 DGBB Cc1cc([N+](=O)[O-])cnc1NC[C@H]1OCCc2sccc21 78478965 HADZPKARDSJJHE-GFCCVEGCSA-N 305.359 3.086 5 40 DGBB CSC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 95398812 MXIUXIBXEAVCSN-CQSZACIVSA-N 316.382 3.429 5 40 DGBB O=C(Nc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 95944636 HZNIVNJXRFGWCK-UHFFFAOYSA-N 318.716 3.435 5 40 DGBB CCN(c1cccc(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224742023 TYDFSRNCUJYCJZ-UHFFFAOYSA-N 320.370 3.118 5 40 DGBB O=[N+]([O-])c1ccc([C@H]2O[C@H]3C[C@@H]4[C@@H]5CCC[C@@H]5[C@@H]3[C@@H]4O2)cc1 104077856 OMRABCPWSAHSLM-FAMDUTLLSA-N 301.342 3.443 5 40 DGBB CC(C)OC(=O)c1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1 70462634 HBAQGOWLSAMYJG-UHFFFAOYSA-N 312.753 3.414 5 40 DGBB COc1ccc(C(=O)CCc2cccc([N+](=O)[O-])c2)cc1OC 199728981 CANPSWQBVUHOPC-UHFFFAOYSA-N 315.325 3.428 5 40 DGBB COc1cccc(C(=O)N[C@H](C)c2cc(C)oc2C)c1[N+](=O)[O-] 194165284 RZYMZNFFWVHUMD-SNVBAGLBSA-N 318.329 3.304 5 40 DGBB CCS[C@H]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 76067699 AVCLUWLDMIAXOT-ZFWWWQNUSA-N 322.430 3.270 5 40 DGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cccs1 40095699 WDKNZMAQUXCYRZ-UHFFFAOYSA-N 305.359 3.329 5 40 DGBB CNc1ccc(/C=C/c2ncc(C(=O)OC)s2)cc1[N+](=O)[O-] 58421222 KGJNMZDLDZUWEH-GQCTYLIASA-N 319.342 3.050 5 40 DGBB O=C1OC(c2ccco2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 5581182 DQOSGSOGKNAITL-AMZNHEOCSA-N 310.265 3.089 5 40 DGBB Cc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])cn2c1 8232006 SLITUPWYOGJHNZ-UHFFFAOYSA-N 301.277 3.269 5 40 DGBB C[C@@](c1ccccc1)([N+](=O)[O-])[C@@](C)(c1ccccc1)[N+](=O)[O-] 13407072 MZMUWWAGTHZPRB-IYBDPMFKSA-N 300.314 3.371 5 40 DGBB biogenic O=[N+]([O-])c1cccc(CSc2nnc3n2CCCCC3)c1 25020349 NRPUKQZPBCPGSI-UHFFFAOYSA-N 304.375 3.205 5 40 DGBB CCc1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 36783882 VBUBZRNYLCNKNA-UHFFFAOYSA-N 324.340 3.146 5 40 DGBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nccn1C1CC1 29412109 QYMGMDIMMNDVSR-UHFFFAOYSA-N 319.342 3.064 5 40 DGBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccc(F)c1 40512621 DXGWILACENSGGI-UHFFFAOYSA-N 316.332 3.325 5 40 DGBB O=[N+]([O-])c1ccc(O[C@H]2C[C@@H]3[C@H]4C=C[C@H]3[C@H]2C4)c([N+](=O)[O-])c1 102949646 PXIDSKRGSXBQGV-GTLXJZANSA-N 302.286 3.092 5 40 DGBB C[C@H](Cn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 252510422 ZKALJRXAKTWMDK-MRVPVSSYSA-N 300.240 3.009 5 40 DGBB Cc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 359639 CUPJSKGDBPCLEG-XNTDXEJSSA-N 308.293 3.248 5 40 DGBB Cc1c(NC(=S)NC(=O)c2cccs2)cccc1[N+](=O)[O-] 503225 HYCMQJXDUPBKTG-UHFFFAOYSA-N 321.383 3.092 5 40 DGBB COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 5542878 DMLSXYAORPRJBV-UHFFFAOYSA-N 316.313 3.173 5 40 DGBB Cc1nc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)no1 9669033 UFWMDAWOQFJRFZ-UHFFFAOYSA-N 300.274 3.158 5 40 DGBB O=C(O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 20759000 SDWXJAVDWZJDNZ-UHFFFAOYSA-N 314.300 3.290 5 40 DGBB biogenic Cc1nc(/C=C/C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cs1 40082711 GBPHJDAIAQYPHO-VOTSOKGWSA-N 317.370 3.032 5 40 DGBB CCCCOC(=O)c1cc(Cl)c(N(C)C)c([N+](=O)[O-])c1 70462208 LBWLQRRSLIGCNX-UHFFFAOYSA-N 300.742 3.271 5 40 DGBB Cc1csc([C@@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 185988707 MOWNFSBURBJOOF-QMMMGPOBSA-N 323.349 3.032 5 40 DGBB Cc1c(C(=O)Nc2cccc([C@@H](C)O)c2)cccc1[N+](=O)[O-] 226274716 CEMXQFHFNLOFPC-LLVKDONJSA-N 300.314 3.209 5 40 DGBB O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NC2CC2)s1 9835004 ZDCQPDDNTPEFLY-UHFFFAOYSA-N 312.351 3.311 5 40 DGBB O=C(Nc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 39338927 ADFZTBORRYKAEF-UHFFFAOYSA-N 308.297 3.033 5 40 DGBB O=C(Nc1ccccn1)c1cccc2nc3ccccc3nc12 39557455 CKMSLQKRRJJNCC-UHFFFAOYSA-N 300.321 3.430 5 40 DGBB O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2ncc[nH]2)c(F)c1 95422792 BEDFLBVYIOIOSJ-AWEZNQCLSA-N 304.325 3.184 5 40 DGBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)o2)c1 1378701 YMGCZTQTGNNWIG-UHFFFAOYSA-N 314.326 3.332 5 40 DGBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4532374 ANGSZTFGELRKAJ-UHFFFAOYSA-N 312.734 3.049 5 40 DGBB CCOc1ccccc1CNCCNc1ccc([N+](=O)[O-])cc1 6870605 QNSFSPDJORDWEP-UHFFFAOYSA-N 315.373 3.195 5 40 DGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F 14898703 KAHZDNCOTRJMAR-UHFFFAOYSA-N 321.283 3.314 5 40 DGBB Cn1c(COc2ccc([N+](=O)[O-])c(Cl)c2)nnc1C1CCC1 97370371 GOZJQZNDAASGQA-UHFFFAOYSA-N 322.752 3.223 5 40 DGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1 4496667 MUGSOVSRZPFSHF-UHFFFAOYSA-N 318.354 3.334 5 40 DGBB O=Cc1ccccc1OC(=O)CSc1ccccc1[N+](=O)[O-] 6884530 VUIIHSOYWRHWPX-UHFFFAOYSA-N 317.322 3.105 5 40 DGBB Cc1ccc([N+](=O)[O-])c2c1[C@H](N1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 20444598 KXNOTNFTDYFDHS-HSMVNMDESA-N 320.389 3.225 5 40 DGBB Cc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39772289 RVVYBJHXIURZQZ-UHFFFAOYSA-N 324.296 3.206 5 40 DGBB Nc1c(Cl)cc([N+](=O)[O-])c(N2CCCC2)c1Br 45891290 RSOCKAXKWNHOQZ-UHFFFAOYSA-N 320.574 3.193 5 40 DGBB